NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
606417 | 5kp0 | 30127 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 4.309 -7.194 25.698 2 H2 MET 1 2H MET 1 2.793 -7.243 24.957 3 H3 MET 1 3H MET 1 3.430 -5.771 25.476 4 HA MET 1 HA MET 1 5.158 -5.845 23.877 5 HB2 MET 1 2HB MET 1 5.340 -7.711 22.246 6 HB3 MET 1 1HB MET 1 5.531 -8.295 23.889 7 HG2 MET 1 2HG MET 1 3.295 -9.234 23.871 8 HG3 MET 1 1HG MET 1 2.968 -8.510 22.295 9 HE1 MET 1 1HE MET 1 3.113 -12.274 21.307 10 HE2 MET 1 2HE MET 1 2.227 -10.760 21.125 11 HE3 MET 1 3HE MET 1 2.342 -11.532 22.708 12 H THR 2 H THR 2 2.676 -4.563 24.177 13 HA THR 2 HA THR 2 0.758 -4.923 22.196 14 HB THR 2 HB THR 2 0.155 -2.458 22.658 15 HG1 THR 2 HG1 THR 2 1.285 -1.437 24.300 16 HG21 THR 2 1HG2 THR 2 -0.630 -2.907 24.959 17 HG22 THR 2 2HG2 THR 2 0.432 -4.313 25.055 18 HG23 THR 2 3HG2 THR 2 -0.912 -4.299 23.911 19 H SER 3 H SER 3 3.602 -2.729 22.125 20 HA SER 3 HA SER 3 3.007 -1.561 19.601 21 HB2 SER 3 2HB SER 3 5.684 -1.761 21.037 22 HB3 SER 3 1HB SER 3 5.338 -0.707 19.663 23 HG SER 3 HG SER 3 5.133 0.061 22.012 24 H THR 4 H THR 4 4.879 -4.389 20.563 25 HA THR 4 HA THR 4 6.065 -5.076 18.107 26 HB THR 4 HB THR 4 5.186 -6.826 20.447 27 HG1 THR 4 HG1 THR 4 7.873 -6.446 19.959 28 HG21 THR 4 1HG2 THR 4 6.963 -7.620 18.104 29 HG22 THR 4 2HG2 THR 4 5.371 -8.293 18.480 30 HG23 THR 4 3HG2 THR 4 6.730 -8.571 19.571 31 H VAL 5 H VAL 5 2.998 -6.151 19.588 32 HA VAL 5 HA VAL 5 2.124 -7.843 17.538 33 HB VAL 5 HB VAL 5 0.416 -6.321 19.573 34 HG11 VAL 5 1HG1 VAL 5 -1.309 -8.047 19.153 35 HG12 VAL 5 2HG1 VAL 5 -0.297 -8.761 17.895 36 HG13 VAL 5 3HG1 VAL 5 -0.948 -7.135 17.683 37 HG21 VAL 5 1HG2 VAL 5 1.537 -9.150 19.711 38 HG22 VAL 5 2HG2 VAL 5 0.490 -8.394 20.917 39 HG23 VAL 5 3HG2 VAL 5 2.116 -7.768 20.641 40 H GLU 6 H GLU 6 1.253 -4.423 18.236 41 HA GLU 6 HA GLU 6 -0.437 -4.003 16.056 42 HB2 GLU 6 2HB GLU 6 1.318 -2.005 17.541 43 HB3 GLU 6 1HB GLU 6 0.126 -1.545 16.332 44 HG2 GLU 6 2HG GLU 6 -0.424 -2.913 18.967 45 HG3 GLU 6 1HG GLU 6 -0.771 -1.233 18.563 46 H PHE 7 H PHE 7 3.100 -3.527 16.282 47 HA PHE 7 HA PHE 7 3.484 -2.281 13.793 48 HB2 PHE 7 2HB PHE 7 5.133 -2.456 15.738 49 HB3 PHE 7 1HB PHE 7 5.492 -4.093 15.208 50 HD1 PHE 7 HD1 PHE 7 7.477 -4.301 13.962 51 HD2 PHE 7 HD2 PHE 7 5.257 -0.652 13.694 52 HE1 PHE 7 HE1 PHE 7 9.220 -3.336 12.515 53 HE2 PHE 7 HE2 PHE 7 6.999 0.297 12.250 54 HZ PHE 7 HZ PHE 7 8.981 -1.038 11.668 55 H ILE 8 H ILE 8 3.873 -5.735 14.683 56 HA ILE 8 HA ILE 8 4.572 -6.657 12.074 57 HB ILE 8 HB ILE 8 3.546 -8.259 14.464 58 HG12 ILE 8 2HG1 ILE 8 6.440 -7.760 13.618 59 HG13 ILE 8 1HG1 ILE 8 5.622 -6.871 14.898 60 HG21 ILE 8 1HG2 ILE 8 3.371 -9.554 12.375 61 HG22 ILE 8 2HG2 ILE 8 4.644 -10.212 13.405 62 HG23 ILE 8 3HG2 ILE 8 5.066 -9.219 12.008 63 HD11 ILE 8 1HD1 ILE 8 7.048 -8.621 15.775 64 HD12 ILE 8 2HD1 ILE 8 6.125 -9.839 14.894 65 HD13 ILE 8 3HD1 ILE 8 5.357 -8.901 16.179 66 H ASN 9 H ASN 9 1.519 -6.650 13.927 67 HA ASN 9 HA ASN 9 -0.045 -8.164 12.109 68 HB2 ASN 9 2HB ASN 9 -0.715 -6.383 14.466 69 HB3 ASN 9 1HB ASN 9 -2.014 -6.807 13.363 70 HD21 ASN 9 1HD2 ASN 9 0.507 -8.254 15.387 71 HD22 ASN 9 2HD2 ASN 9 -0.363 -9.704 15.717 72 H ARG 10 H ARG 10 0.435 -4.658 12.496 73 HA ARG 10 HA ARG 10 -1.444 -3.883 10.505 74 HB2 ARG 10 2HB ARG 10 0.922 -2.371 11.684 75 HB3 ARG 10 1HB ARG 10 -0.193 -1.659 10.517 76 HG2 ARG 10 2HG ARG 10 -2.033 -1.799 12.039 77 HG3 ARG 10 1HG ARG 10 -1.127 -2.823 13.155 78 HD2 ARG 10 2HD ARG 10 0.458 -0.902 13.528 79 HD3 ARG 10 1HD ARG 10 -0.611 0.107 12.546 80 HE ARG 10 HE ARG 10 -2.057 -1.143 14.659 81 HH11 ARG 10 1HH1 ARG 10 0.228 1.494 14.087 82 HH12 ARG 10 2HH1 ARG 10 -0.305 2.402 15.462 83 HH21 ARG 10 1HH2 ARG 10 -2.699 0.078 16.474 84 HH22 ARG 10 2HH2 ARG 10 -1.950 1.609 16.806 85 H TRP 11 H TRP 11 2.141 -4.340 10.387 86 HA TRP 11 HA TRP 11 2.489 -3.861 7.645 87 HB2 TRP 11 2HB TRP 11 4.025 -5.630 9.574 88 HB3 TRP 11 1HB TRP 11 4.443 -5.620 7.863 89 HD1 TRP 11 HD1 TRP 11 5.578 -4.074 10.888 90 HE1 TRP 11 HE1 TRP 11 6.788 -1.866 10.436 91 HE3 TRP 11 HE3 TRP 11 4.028 -3.215 6.085 92 HZ2 TRP 11 HZ2 TRP 11 7.065 0.010 8.380 93 HZ3 TRP 11 HZ3 TRP 11 4.802 -1.173 4.954 94 HH2 TRP 11 HH2 TRP 11 6.284 0.406 6.089 95 H GLN 12 H GLN 12 1.438 -6.759 9.332 96 HA GLN 12 HA GLN 12 1.375 -8.557 7.152 97 HB2 GLN 12 2HB GLN 12 1.277 -9.226 9.564 98 HB3 GLN 12 1HB GLN 12 -0.342 -8.550 9.677 99 HG2 GLN 12 2HG GLN 12 -1.144 -10.216 8.033 100 HG3 GLN 12 1HG GLN 12 0.488 -10.883 7.930 101 HE21 GLN 12 1HE2 GLN 12 -0.153 -12.905 8.671 102 HE22 GLN 12 2HE2 GLN 12 -0.639 -13.203 10.302 103 H ARG 13 H ARG 13 -1.035 -6.291 8.522 104 HA ARG 13 HA ARG 13 -3.225 -7.094 6.900 105 HB2 ARG 13 2HB ARG 13 -2.748 -4.420 8.288 106 HB3 ARG 13 1HB ARG 13 -4.269 -4.905 7.550 107 HG2 ARG 13 2HG ARG 13 -2.952 -6.103 9.994 108 HG3 ARG 13 1HG ARG 13 -4.458 -5.201 9.926 109 HD2 ARG 13 2HD ARG 13 -5.541 -7.033 8.720 110 HD3 ARG 13 1HD ARG 13 -4.022 -7.927 8.639 111 HE ARG 13 HE ARG 13 -5.832 -7.728 10.884 112 HH11 ARG 13 1HH1 ARG 13 -2.516 -8.464 9.952 113 HH12 ARG 13 2HH1 ARG 13 -2.198 -9.401 11.371 114 HH21 ARG 13 1HH2 ARG 13 -5.398 -8.956 12.735 115 HH22 ARG 13 2HH2 ARG 13 -3.836 -9.680 12.958 116 H ILE 14 H ILE 14 -0.755 -4.577 6.581 117 HA ILE 14 HA ILE 14 -1.706 -3.307 4.233 118 HB ILE 14 HB ILE 14 1.150 -3.520 5.315 119 HG12 ILE 14 2HG1 ILE 14 -0.865 -1.268 5.661 120 HG13 ILE 14 1HG1 ILE 14 -0.535 -2.500 6.871 121 HG21 ILE 14 1HG2 ILE 14 1.693 -1.520 3.998 122 HG22 ILE 14 2HG2 ILE 14 0.061 -1.488 3.331 123 HG23 ILE 14 3HG2 ILE 14 1.144 -2.819 2.936 124 HD11 ILE 14 1HD1 ILE 14 1.422 -0.473 5.824 125 HD12 ILE 14 2HD1 ILE 14 1.791 -1.753 6.987 126 HD13 ILE 14 3HD1 ILE 14 0.633 -0.490 7.403 127 H ALA 15 H ALA 15 0.489 -6.018 4.803 128 HA ALA 15 HA ALA 15 1.407 -6.443 2.166 129 HB1 ALA 15 1HB ALA 15 2.532 -7.343 4.162 130 HB2 ALA 15 2HB ALA 15 2.145 -8.632 3.021 131 HB3 ALA 15 3HB ALA 15 1.159 -8.405 4.469 132 H LEU 16 H LEU 16 -1.270 -7.861 4.038 133 HA LEU 16 HA LEU 16 -2.212 -9.635 2.003 134 HB2 LEU 16 2HB LEU 16 -3.615 -8.571 4.489 135 HB3 LEU 16 1HB LEU 16 -4.211 -9.888 3.491 136 HG LEU 16 HG LEU 16 -1.631 -9.939 5.102 137 HD11 LEU 16 1HD1 LEU 16 -2.770 -11.497 6.600 138 HD12 LEU 16 2HD1 LEU 16 -4.262 -11.329 5.671 139 HD13 LEU 16 3HD1 LEU 16 -3.605 -9.945 6.546 140 HD21 LEU 16 1HD2 LEU 16 -2.934 -12.133 3.465 141 HD22 LEU 16 2HD2 LEU 16 -1.568 -12.350 4.563 142 HD23 LEU 16 3HD2 LEU 16 -1.395 -11.329 3.139 143 H LEU 17 H LEU 17 -3.023 -6.338 2.991 144 HA LEU 17 HA LEU 17 -5.370 -6.000 1.427 145 HB2 LEU 17 2HB LEU 17 -3.444 -4.026 2.708 146 HB3 LEU 17 1HB LEU 17 -4.728 -3.449 1.658 147 HG LEU 17 HG LEU 17 -5.221 -5.085 4.178 148 HD11 LEU 17 1HD1 LEU 17 -4.206 -2.919 4.742 149 HD12 LEU 17 2HD1 LEU 17 -5.882 -3.009 5.273 150 HD13 LEU 17 3HD1 LEU 17 -5.464 -2.080 3.830 151 HD21 LEU 17 1HD2 LEU 17 -7.552 -4.385 3.921 152 HD22 LEU 17 2HD2 LEU 17 -7.009 -5.280 2.505 153 HD23 LEU 17 3HD2 LEU 17 -7.155 -3.520 2.433 154 H SER 18 H SER 18 -1.963 -5.033 0.879 155 HA SER 18 HA SER 18 -2.327 -3.909 -1.680 156 HB2 SER 18 2HB SER 18 0.165 -4.124 -1.882 157 HB3 SER 18 1HB SER 18 -0.335 -3.386 -0.363 158 HG SER 18 HG SER 18 0.588 -4.947 0.656 159 H GLN 19 H GLN 19 -1.524 -7.209 -0.605 160 HA GLN 19 HA GLN 19 -1.083 -8.407 -3.117 161 HB2 GLN 19 2HB GLN 19 -0.543 -9.516 -0.975 162 HB3 GLN 19 1HB GLN 19 -2.255 -9.626 -0.576 163 HG2 GLN 19 2HG GLN 19 -2.605 -11.160 -2.474 164 HG3 GLN 19 1HG GLN 19 -0.899 -11.030 -2.902 165 HE21 GLN 19 1HE2 GLN 19 -3.165 -12.322 -0.578 166 HE22 GLN 19 2HE2 GLN 19 -2.072 -13.416 0.181 167 H SER 20 H SER 20 -4.079 -8.132 -1.183 168 HA SER 20 HA SER 20 -5.849 -9.390 -2.965 169 HB2 SER 20 2HB SER 20 -6.408 -7.206 -0.909 170 HB3 SER 20 1HB SER 20 -7.648 -8.175 -1.711 171 HG SER 20 HG SER 20 -5.981 -8.823 0.369 172 H LEU 21 H LEU 21 -4.983 -5.976 -2.597 173 HA LEU 21 HA LEU 21 -6.760 -4.877 -4.492 174 HB2 LEU 21 2HB LEU 21 -4.184 -3.795 -3.279 175 HB3 LEU 21 1HB LEU 21 -5.250 -2.834 -4.294 176 HG LEU 21 HG LEU 21 -6.131 -4.088 -1.660 177 HD11 LEU 21 1HD1 LEU 21 -4.356 -2.485 -1.190 178 HD12 LEU 21 2HD1 LEU 21 -5.909 -1.864 -0.639 179 HD13 LEU 21 3HD1 LEU 21 -5.189 -1.244 -2.127 180 HD21 LEU 21 1HD2 LEU 21 -7.970 -3.631 -3.186 181 HD22 LEU 21 2HD2 LEU 21 -7.433 -1.959 -3.375 182 HD23 LEU 21 3HD2 LEU 21 -8.013 -2.532 -1.810 183 H LEU 22 H LEU 22 -3.468 -6.137 -4.659 184 HA LEU 22 HA LEU 22 -2.809 -5.303 -7.272 185 HB2 LEU 22 2HB LEU 22 -1.055 -6.117 -5.811 186 HB3 LEU 22 1HB LEU 22 -1.850 -7.671 -5.625 187 HG LEU 22 HG LEU 22 -1.366 -8.242 -7.983 188 HD11 LEU 22 1HD1 LEU 22 0.054 -6.818 -9.390 189 HD12 LEU 22 2HD1 LEU 22 -0.010 -5.539 -8.174 190 HD13 LEU 22 3HD1 LEU 22 -1.483 -6.046 -9.007 191 HD21 LEU 22 1HD2 LEU 22 0.288 -8.825 -6.254 192 HD22 LEU 22 2HD2 LEU 22 1.132 -7.299 -6.547 193 HD23 LEU 22 3HD2 LEU 22 1.043 -8.520 -7.819 194 H GLU 23 H GLU 23 -4.183 -8.367 -6.023 195 HA GLU 23 HA GLU 23 -4.476 -9.690 -8.472 196 HB2 GLU 23 2HB GLU 23 -6.178 -9.961 -5.956 197 HB3 GLU 23 1HB GLU 23 -6.187 -11.098 -7.299 198 HG2 GLU 23 2HG GLU 23 -3.880 -10.513 -5.426 199 HG3 GLU 23 1HG GLU 23 -4.828 -11.997 -5.514 200 H LEU 24 H LEU 24 -6.752 -7.645 -6.697 201 HA LEU 24 HA LEU 24 -8.965 -7.780 -8.414 202 HB2 LEU 24 2HB LEU 24 -8.060 -5.529 -6.583 203 HB3 LEU 24 1HB LEU 24 -9.659 -5.640 -7.303 204 HG LEU 24 HG LEU 24 -8.556 -7.765 -5.439 205 HD11 LEU 24 1HD1 LEU 24 -10.222 -5.353 -4.701 206 HD12 LEU 24 2HD1 LEU 24 -8.569 -5.705 -4.194 207 HD13 LEU 24 3HD1 LEU 24 -9.893 -6.728 -3.643 208 HD21 LEU 24 1HD2 LEU 24 -11.397 -7.168 -6.311 209 HD22 LEU 24 2HD2 LEU 24 -10.893 -8.427 -5.180 210 HD23 LEU 24 3HD2 LEU 24 -10.393 -8.513 -6.866 211 H ALA 25 H ALA 25 -6.169 -5.561 -8.387 212 HA ALA 25 HA ALA 25 -7.039 -3.844 -10.485 213 HB1 ALA 25 1HB ALA 25 -4.212 -4.413 -9.532 214 HB2 ALA 25 2HB ALA 25 -5.291 -3.178 -8.888 215 HB3 ALA 25 3HB ALA 25 -4.712 -3.050 -10.547 216 H GLN 26 H GLN 26 -5.200 -6.849 -10.417 217 HA GLN 26 HA GLN 26 -4.514 -6.938 -13.201 218 HB2 GLN 26 2HB GLN 26 -4.635 -9.158 -11.106 219 HB3 GLN 26 1HB GLN 26 -3.945 -9.346 -12.712 220 HG2 GLN 26 2HG GLN 26 -2.893 -7.311 -10.728 221 HG3 GLN 26 1HG GLN 26 -2.311 -8.971 -10.785 222 HE21 GLN 26 1HE2 GLN 26 -0.201 -8.140 -11.227 223 HE22 GLN 26 2HE2 GLN 26 0.225 -7.577 -12.804 224 H ARG 27 H ARG 27 -7.336 -7.869 -11.322 225 HA ARG 27 HA ARG 27 -8.534 -9.358 -13.575 226 HB2 ARG 27 2HB ARG 27 -9.748 -8.889 -10.816 227 HB3 ARG 27 1HB ARG 27 -10.287 -10.031 -12.038 228 HG2 ARG 27 2HG ARG 27 -7.773 -10.176 -10.381 229 HG3 ARG 27 1HG ARG 27 -9.161 -11.251 -10.312 230 HD2 ARG 27 2HD ARG 27 -7.388 -10.994 -12.758 231 HD3 ARG 27 1HD ARG 27 -7.086 -12.148 -11.462 232 HE ARG 27 HE ARG 27 -9.577 -12.141 -13.068 233 HH11 ARG 27 1HH1 ARG 27 -6.924 -13.878 -11.524 234 HH12 ARG 27 2HH1 ARG 27 -7.530 -15.444 -11.972 235 HH21 ARG 27 1HH2 ARG 27 -10.350 -14.215 -13.659 236 HH22 ARG 27 2HH2 ARG 27 -9.464 -15.629 -13.176 237 H GLY 28 H GLY 28 -8.461 -6.173 -12.461 238 HA2 GLY 28 2HA GLY 28 -9.430 -4.330 -13.501 239 HA3 GLY 28 1HA GLY 28 -10.581 -5.378 -14.307 240 H GLU 29 H GLU 29 -10.432 -5.965 -10.964 241 HA GLU 29 HA GLU 29 -13.025 -4.753 -10.474 242 HB2 GLU 29 2HB GLU 29 -11.275 -6.252 -8.474 243 HB3 GLU 29 1HB GLU 29 -13.005 -5.956 -8.371 244 HG2 GLU 29 2HG GLU 29 -11.642 -7.739 -10.411 245 HG3 GLU 29 1HG GLU 29 -12.489 -8.299 -8.972 246 H TRP 30 H TRP 30 -12.367 -2.533 -10.705 247 HA TRP 30 HA TRP 30 -10.405 -1.293 -8.987 248 HB2 TRP 30 2HB TRP 30 -12.519 0.197 -10.599 249 HB3 TRP 30 1HB TRP 30 -10.915 0.755 -10.129 250 HD1 TRP 30 HD1 TRP 30 -12.691 -0.514 -13.046 251 HE1 TRP 30 HE1 TRP 30 -11.081 -1.393 -14.836 252 HE3 TRP 30 HE3 TRP 30 -8.399 -0.734 -10.260 253 HZ2 TRP 30 HZ2 TRP 30 -8.377 -2.091 -15.054 254 HZ3 TRP 30 HZ3 TRP 30 -6.336 -1.515 -11.344 255 HH2 TRP 30 HH2 TRP 30 -6.336 -2.183 -13.697 256 H ASP 31 H ASP 31 -13.691 -2.067 -8.711 257 HA ASP 31 HA ASP 31 -14.816 -0.060 -7.132 258 HB2 ASP 31 2HB ASP 31 -16.113 -1.810 -8.313 259 HB3 ASP 31 1HB ASP 31 -15.439 -3.052 -7.266 260 H LEU 32 H LEU 32 -13.316 -3.150 -6.151 261 HA LEU 32 HA LEU 32 -13.481 -2.615 -3.342 262 HB2 LEU 32 2HB LEU 32 -11.984 -4.738 -4.906 263 HB3 LEU 32 1HB LEU 32 -12.021 -4.674 -3.151 264 HG LEU 32 HG LEU 32 -14.436 -5.105 -4.957 265 HD11 LEU 32 1HD1 LEU 32 -12.968 -7.053 -4.918 266 HD12 LEU 32 2HD1 LEU 32 -14.468 -7.389 -4.062 267 HD13 LEU 32 3HD1 LEU 32 -12.988 -7.069 -3.152 268 HD21 LEU 32 1HD2 LEU 32 -15.697 -5.531 -2.893 269 HD22 LEU 32 2HD2 LEU 32 -15.072 -3.886 -2.937 270 HD23 LEU 32 3HD2 LEU 32 -14.283 -5.099 -1.925 271 H LEU 33 H LEU 33 -11.133 -1.831 -5.836 272 HA LEU 33 HA LEU 33 -8.977 -1.179 -4.086 273 HB2 LEU 33 2HB LEU 33 -9.657 -0.426 -6.920 274 HB3 LEU 33 1HB LEU 33 -8.527 0.615 -6.071 275 HG LEU 33 HG LEU 33 -7.046 -1.355 -5.648 276 HD11 LEU 33 1HD1 LEU 33 -7.390 -3.448 -6.851 277 HD12 LEU 33 2HD1 LEU 33 -8.964 -2.874 -7.411 278 HD13 LEU 33 3HD1 LEU 33 -8.678 -3.135 -5.688 279 HD21 LEU 33 1HD2 LEU 33 -6.611 0.114 -7.555 280 HD22 LEU 33 2HD2 LEU 33 -7.658 -0.873 -8.577 281 HD23 LEU 33 3HD2 LEU 33 -6.165 -1.552 -7.924 282 H LEU 34 H LEU 34 -11.656 0.739 -5.427 283 HA LEU 34 HA LEU 34 -11.063 3.177 -4.145 284 HB2 LEU 34 2HB LEU 34 -13.741 2.102 -5.116 285 HB3 LEU 34 1HB LEU 34 -13.453 3.772 -4.652 286 HG LEU 34 HG LEU 34 -12.143 2.343 -7.002 287 HD11 LEU 34 1HD1 LEU 34 -14.513 2.770 -7.407 288 HD12 LEU 34 2HD1 LEU 34 -13.505 3.788 -8.430 289 HD13 LEU 34 3HD1 LEU 34 -14.299 4.478 -7.011 290 HD21 LEU 34 1HD2 LEU 34 -11.238 4.537 -7.631 291 HD22 LEU 34 2HD2 LEU 34 -10.630 4.016 -6.063 292 HD23 LEU 34 3HD2 LEU 34 -11.893 5.247 -6.153 293 H GLN 35 H GLN 35 -12.903 0.356 -3.072 294 HA GLN 35 HA GLN 35 -14.068 1.590 -0.740 295 HB2 GLN 35 2HB GLN 35 -15.149 -0.331 -1.803 296 HB3 GLN 35 1HB GLN 35 -13.722 -1.329 -1.546 297 HG2 GLN 35 2HG GLN 35 -15.498 -1.898 0.051 298 HG3 GLN 35 1HG GLN 35 -14.079 -1.262 0.882 299 HE21 GLN 35 1HE2 GLN 35 -15.250 -0.661 2.718 300 HE22 GLN 35 2HE2 GLN 35 -16.382 0.646 2.717 301 H GLN 36 H GLN 36 -11.457 -0.800 -1.177 302 HA GLN 36 HA GLN 36 -10.656 -0.767 1.594 303 HB2 GLN 36 2HB GLN 36 -9.538 -2.166 -0.858 304 HB3 GLN 36 1HB GLN 36 -8.878 -2.381 0.763 305 HG2 GLN 36 2HG GLN 36 -10.891 -3.425 1.551 306 HG3 GLN 36 1HG GLN 36 -11.793 -2.936 0.119 307 HE21 GLN 36 1HE2 GLN 36 -9.880 -3.687 -1.850 308 HE22 GLN 36 2HE2 GLN 36 -9.796 -5.416 -1.860 309 H GLU 37 H GLU 37 -9.925 1.209 -1.043 310 HA GLU 37 HA GLU 37 -7.383 2.110 -0.903 311 HB2 GLU 37 2HB GLU 37 -8.957 3.124 -2.394 312 HB3 GLU 37 1HB GLU 37 -9.997 3.645 -1.075 313 HG2 GLU 37 2HG GLU 37 -8.239 5.276 -0.381 314 HG3 GLU 37 1HG GLU 37 -7.268 4.777 -1.766 315 H VAL 38 H VAL 38 -9.970 3.433 1.199 316 HA VAL 38 HA VAL 38 -8.310 5.049 2.781 317 HB VAL 38 HB VAL 38 -10.757 5.405 2.529 318 HG11 VAL 38 1HG1 VAL 38 -11.541 3.089 2.634 319 HG12 VAL 38 2HG1 VAL 38 -12.395 4.095 3.807 320 HG13 VAL 38 3HG1 VAL 38 -11.115 3.002 4.345 321 HG21 VAL 38 1HG2 VAL 38 -9.880 5.107 5.420 322 HG22 VAL 38 2HG2 VAL 38 -11.232 6.093 4.853 323 HG23 VAL 38 3HG2 VAL 38 -9.581 6.498 4.377 324 H SER 39 H SER 39 -9.331 1.690 3.112 325 HA SER 39 HA SER 39 -8.494 1.172 5.756 326 HB2 SER 39 2HB SER 39 -8.544 -0.814 3.427 327 HB3 SER 39 1HB SER 39 -8.655 -1.190 5.150 328 HG SER 39 HG SER 39 -10.686 -1.166 4.038 329 H TYR 40 H TYR 40 -6.859 0.885 2.636 330 HA TYR 40 HA TYR 40 -4.501 -0.409 3.560 331 HB2 TYR 40 2HB TYR 40 -5.322 -0.605 1.228 332 HB3 TYR 40 1HB TYR 40 -5.044 1.112 0.968 333 HD1 TYR 40 HD1 TYR 40 -3.138 1.575 -0.330 334 HD2 TYR 40 HD2 TYR 40 -3.046 -1.834 2.236 335 HE1 TYR 40 HE1 TYR 40 -0.889 1.025 -1.139 336 HE2 TYR 40 HE2 TYR 40 -0.798 -2.370 1.427 337 HH TYR 40 HH TYR 40 1.071 -0.201 -0.436 338 H LEU 41 H LEU 41 -5.250 2.950 2.622 339 HA LEU 41 HA LEU 41 -2.654 4.010 3.054 340 HB2 LEU 41 2HB LEU 41 -5.327 5.474 3.021 341 HB3 LEU 41 1HB LEU 41 -3.749 6.228 2.866 342 HG LEU 41 HG LEU 41 -5.020 4.325 0.855 343 HD11 LEU 41 1HD1 LEU 41 -5.144 6.277 -0.633 344 HD12 LEU 41 2HD1 LEU 41 -4.505 7.309 0.650 345 HD13 LEU 41 3HD1 LEU 41 -6.075 6.528 0.844 346 HD21 LEU 41 1HD2 LEU 41 -2.334 5.732 0.697 347 HD22 LEU 41 2HD2 LEU 41 -3.095 4.808 -0.602 348 HD23 LEU 41 3HD2 LEU 41 -2.603 3.995 0.880 349 H GLN 42 H GLN 42 -5.562 3.780 5.114 350 HA GLN 42 HA GLN 42 -4.689 5.173 7.387 351 HB2 GLN 42 2HB GLN 42 -7.016 4.345 7.094 352 HB3 GLN 42 1HB GLN 42 -6.455 2.684 7.245 353 HG2 GLN 42 2HG GLN 42 -5.665 3.287 9.593 354 HG3 GLN 42 1HG GLN 42 -6.529 4.814 9.399 355 HE21 GLN 42 1HE2 GLN 42 -7.969 4.344 11.077 356 HE22 GLN 42 2HE2 GLN 42 -9.203 3.143 10.941 357 H SER 43 H SER 43 -4.417 1.683 6.612 358 HA SER 43 HA SER 43 -3.057 0.843 8.905 359 HB2 SER 43 2HB SER 43 -2.993 -0.353 6.106 360 HB3 SER 43 1HB SER 43 -2.476 -1.179 7.578 361 HG SER 43 HG SER 43 -4.996 -0.766 6.605 362 H ILE 44 H ILE 44 -1.817 1.959 5.791 363 HA ILE 44 HA ILE 44 0.931 1.675 6.071 364 HB ILE 44 HB ILE 44 -0.870 3.564 4.538 365 HG12 ILE 44 2HG1 ILE 44 1.208 1.532 3.619 366 HG13 ILE 44 1HG1 ILE 44 -0.525 1.248 3.727 367 HG21 ILE 44 1HG2 ILE 44 0.940 5.089 5.077 368 HG22 ILE 44 2HG2 ILE 44 1.037 4.643 3.372 369 HG23 ILE 44 3HG2 ILE 44 2.137 3.911 4.540 370 HD11 ILE 44 1HD1 ILE 44 0.842 3.185 1.857 371 HD12 ILE 44 2HD1 ILE 44 -0.904 2.936 1.987 372 HD13 ILE 44 3HD1 ILE 44 0.137 1.620 1.445 373 H GLU 45 H GLU 45 -1.064 4.516 6.869 374 HA GLU 45 HA GLU 45 1.062 6.115 7.829 375 HB2 GLU 45 2HB GLU 45 -1.942 6.325 8.273 376 HB3 GLU 45 1HB GLU 45 -0.787 7.573 8.737 377 HG2 GLU 45 2HG GLU 45 -0.113 7.866 6.391 378 HG3 GLU 45 1HG GLU 45 -1.221 6.584 5.896 379 H THR 46 H THR 46 -1.273 3.995 9.492 380 HA THR 46 HA THR 46 -0.556 4.892 12.116 381 HB THR 46 HB THR 46 -2.841 4.005 11.585 382 HG1 THR 46 HG1 THR 46 -1.380 3.638 13.764 383 HG21 THR 46 1HG2 THR 46 -2.251 2.042 10.216 384 HG22 THR 46 2HG2 THR 46 -3.239 1.565 11.600 385 HG23 THR 46 3HG2 THR 46 -1.498 1.284 11.618 386 H VAL 47 H VAL 47 0.545 2.184 10.063 387 HA VAL 47 HA VAL 47 2.065 0.931 12.172 388 HB VAL 47 HB VAL 47 1.367 -0.239 9.975 389 HG11 VAL 47 1HG1 VAL 47 2.158 1.409 8.354 390 HG12 VAL 47 2HG1 VAL 47 2.964 -0.135 8.083 391 HG13 VAL 47 3HG1 VAL 47 3.822 1.180 8.887 392 HG21 VAL 47 1HG2 VAL 47 3.323 -1.722 9.980 393 HG22 VAL 47 2HG2 VAL 47 2.872 -1.276 11.630 394 HG23 VAL 47 3HG2 VAL 47 4.261 -0.505 10.852 395 H MET 48 H MET 48 2.645 3.449 9.755 396 HA MET 48 HA MET 48 5.463 3.660 10.207 397 HB2 MET 48 2HB MET 48 4.200 4.407 8.123 398 HB3 MET 48 1HB MET 48 3.657 5.811 9.031 399 HG2 MET 48 2HG MET 48 5.959 6.570 9.287 400 HG3 MET 48 1HG MET 48 6.555 5.102 8.516 401 HE1 MET 48 1HE MET 48 4.453 4.719 6.082 402 HE2 MET 48 2HE MET 48 6.199 4.561 5.868 403 HE3 MET 48 3HE MET 48 5.271 5.612 4.801 404 H GLU 49 H GLU 49 2.628 4.997 11.806 405 HA GLU 49 HA GLU 49 3.952 6.916 13.445 406 HB2 GLU 49 2HB GLU 49 1.416 5.346 14.069 407 HB3 GLU 49 1HB GLU 49 1.968 6.779 14.925 408 HG2 GLU 49 2HG GLU 49 1.025 6.640 12.058 409 HG3 GLU 49 1HG GLU 49 0.152 7.331 13.414 410 H LYS 50 H LYS 50 3.749 3.433 13.576 411 HA LYS 50 HA LYS 50 4.784 3.243 16.293 412 HB2 LYS 50 2HB LYS 50 4.476 1.025 14.220 413 HB3 LYS 50 1HB LYS 50 4.806 0.813 15.933 414 HG2 LYS 50 2HG LYS 50 2.251 1.827 14.679 415 HG3 LYS 50 1HG LYS 50 2.497 0.271 15.464 416 HD2 LYS 50 2HD LYS 50 2.647 2.962 16.875 417 HD3 LYS 50 1HD LYS 50 1.223 1.931 16.839 418 HE2 LYS 50 2HE LYS 50 2.215 1.507 18.932 419 HE3 LYS 50 1HE LYS 50 2.694 0.129 17.943 420 HZ1 LYS 50 1HZ LYS 50 4.500 1.103 19.336 421 HZ2 LYS 50 2HZ LYS 50 4.428 2.507 18.404 422 HZ3 LYS 50 3HZ LYS 50 4.871 1.042 17.693 423 H GLN 51 H GLN 51 6.585 4.705 15.688 424 HA GLN 51 HA GLN 51 8.708 3.795 13.988 425 HB2 GLN 51 2HB GLN 51 8.838 5.884 16.213 426 HB3 GLN 51 1HB GLN 51 9.981 5.695 14.886 427 HG2 GLN 51 2HG GLN 51 8.186 6.296 13.280 428 HG3 GLN 51 1HG GLN 51 7.077 6.531 14.633 429 HE21 GLN 51 1HE2 GLN 51 7.447 8.307 16.055 430 HE22 GLN 51 2HE2 GLN 51 8.361 9.684 15.552 431 H THR 52 H THR 52 9.660 1.885 14.521 432 HA THR 52 HA THR 52 10.062 0.999 17.243 433 HB THR 52 HB THR 52 11.405 -0.885 15.942 434 HG1 THR 52 HG1 THR 52 10.944 -1.005 13.769 435 HG21 THR 52 1HG2 THR 52 9.207 -1.246 16.989 436 HG22 THR 52 2HG2 THR 52 9.308 -2.069 15.432 437 HG23 THR 52 3HG2 THR 52 8.403 -0.559 15.573 438 HA PRO 53 HA PRO 53 14.133 2.728 18.044 439 HB2 PRO 53 2HB PRO 53 14.789 0.055 19.289 440 HB3 PRO 53 1HB PRO 53 14.886 1.683 19.996 441 HG2 PRO 53 2HG PRO 53 12.922 0.063 20.717 442 HG3 PRO 53 1HG PRO 53 12.579 1.786 20.422 443 HD2 PRO 53 2HD PRO 53 12.073 -0.576 18.611 444 HD3 PRO 53 1HD PRO 53 11.012 0.805 18.986 445 HA PRO 54 HA PRO 54 17.076 1.488 14.869 446 HB2 PRO 54 2HB PRO 54 19.478 1.718 16.374 447 HB3 PRO 54 1HB PRO 54 18.685 3.015 15.462 448 HG2 PRO 54 2HG PRO 54 18.504 2.402 18.387 449 HG3 PRO 54 1HG PRO 54 18.568 3.977 17.564 450 HD2 PRO 54 2HD PRO 54 16.258 3.055 18.524 451 HD3 PRO 54 1HD PRO 54 16.300 3.903 16.960 452 H GLY 55 H GLY 55 17.776 0.128 18.097 453 HA2 GLY 55 2HA GLY 55 18.807 -2.374 17.015 454 HA3 GLY 55 1HA GLY 55 18.624 -1.941 18.708 455 H ILE 56 H ILE 56 16.464 -2.402 15.884 456 HA ILE 56 HA ILE 56 14.320 -3.613 17.335 457 HB ILE 56 HB ILE 56 14.035 -2.552 15.074 458 HG12 ILE 56 2HG1 ILE 56 12.520 -4.327 14.054 459 HG13 ILE 56 1HG1 ILE 56 13.134 -5.468 15.247 460 HG21 ILE 56 1HG2 ILE 56 16.085 -3.345 13.992 461 HG22 ILE 56 2HG2 ILE 56 14.668 -3.751 13.021 462 HG23 ILE 56 3HG2 ILE 56 15.461 -4.997 13.987 463 HD11 ILE 56 1HD1 ILE 56 10.955 -4.565 15.857 464 HD12 ILE 56 2HD1 ILE 56 11.617 -2.932 15.853 465 HD13 ILE 56 3HD1 ILE 56 12.181 -4.112 17.043 466 H THR 57 H THR 57 13.725 -5.876 17.380 467 HA THR 57 HA THR 57 16.023 -7.641 17.729 468 HB THR 57 HB THR 57 14.381 -9.189 18.783 469 HG1 THR 57 HG1 THR 57 12.249 -8.773 18.717 470 HG21 THR 57 1HG2 THR 57 14.055 -6.317 19.756 471 HG22 THR 57 2HG2 THR 57 15.377 -7.402 20.199 472 HG23 THR 57 3HG2 THR 57 13.726 -7.771 20.701 473 H ARG 58 H ARG 58 15.936 -9.872 16.985 474 HA ARG 58 HA ARG 58 16.167 -9.993 14.253 475 HB2 ARG 58 2HB ARG 58 15.915 -12.237 16.298 476 HB3 ARG 58 1HB ARG 58 16.249 -12.557 14.600 477 HG2 ARG 58 2HG ARG 58 17.999 -10.872 16.421 478 HG3 ARG 58 1HG ARG 58 18.291 -12.563 16.011 479 HD2 ARG 58 2HD ARG 58 18.247 -10.235 14.060 480 HD3 ARG 58 1HD ARG 58 19.682 -11.077 14.642 481 HE ARG 58 HE ARG 58 18.983 -13.042 13.436 482 HH11 ARG 58 1HH1 ARG 58 17.236 -10.113 12.561 483 HH12 ARG 58 2HH1 ARG 58 16.712 -10.742 11.031 484 HH21 ARG 58 1HH2 ARG 58 18.255 -13.854 11.434 485 HH22 ARG 58 2HH2 ARG 58 17.288 -12.844 10.400 486 H SER 59 H SER 59 13.708 -11.859 16.065 487 HA SER 59 HA SER 59 12.414 -12.928 13.862 488 HB2 SER 59 2HB SER 59 11.274 -12.444 16.650 489 HB3 SER 59 1HB SER 59 10.612 -13.557 15.448 490 HG SER 59 HG SER 59 12.825 -14.515 15.489 491 H ILE 60 H ILE 60 11.563 -10.018 15.727 492 HA ILE 60 HA ILE 60 9.166 -9.343 14.449 493 HB ILE 60 HB ILE 60 11.199 -7.425 15.686 494 HG12 ILE 60 2HG1 ILE 60 8.714 -8.723 16.906 495 HG13 ILE 60 1HG1 ILE 60 10.385 -9.115 17.303 496 HG21 ILE 60 1HG2 ILE 60 8.268 -6.922 15.019 497 HG22 ILE 60 2HG2 ILE 60 9.649 -6.221 14.177 498 HG23 ILE 60 3HG2 ILE 60 9.337 -5.798 15.860 499 HD11 ILE 60 1HD1 ILE 60 9.411 -7.725 19.013 500 HD12 ILE 60 2HD1 ILE 60 9.004 -6.485 17.829 501 HD13 ILE 60 3HD1 ILE 60 10.696 -6.846 18.187 502 H GLN 61 H GLN 61 12.524 -8.234 13.789 503 HA GLN 61 HA GLN 61 11.853 -6.525 11.649 504 HB2 GLN 61 2HB GLN 61 14.010 -6.391 12.904 505 HB3 GLN 61 1HB GLN 61 14.535 -7.893 12.144 506 HG2 GLN 61 2HG GLN 61 14.350 -6.789 9.909 507 HG3 GLN 61 1HG GLN 61 13.911 -5.284 10.717 508 HE21 GLN 61 1HE2 GLN 61 15.674 -4.184 9.893 509 HE22 GLN 61 2HE2 GLN 61 17.293 -4.481 10.410 510 H ASP 62 H ASP 62 12.689 -9.990 11.734 511 HA ASP 62 HA ASP 62 13.101 -10.344 8.948 512 HB2 ASP 62 2HB ASP 62 12.283 -12.367 11.073 513 HB3 ASP 62 1HB ASP 62 12.706 -12.808 9.419 514 H MET 63 H MET 63 10.232 -10.953 10.998 515 HA MET 63 HA MET 63 8.504 -11.828 8.919 516 HB2 MET 63 2HB MET 63 7.834 -10.637 11.647 517 HB3 MET 63 1HB MET 63 6.644 -11.361 10.568 518 HG2 MET 63 2HG MET 63 7.834 -13.510 10.691 519 HG3 MET 63 1HG MET 63 9.020 -12.786 11.775 520 HE1 MET 63 1HE MET 63 7.324 -10.985 13.754 521 HE2 MET 63 2HE MET 63 8.551 -12.136 14.292 522 HE3 MET 63 3HE MET 63 6.947 -12.153 15.019 523 H VAL 64 H VAL 64 8.961 -8.676 10.453 524 HA VAL 64 HA VAL 64 7.059 -7.154 9.076 525 HB VAL 64 HB VAL 64 9.634 -6.468 10.550 526 HG11 VAL 64 1HG1 VAL 64 7.834 -4.426 9.201 527 HG12 VAL 64 2HG1 VAL 64 9.524 -4.753 8.811 528 HG13 VAL 64 3HG1 VAL 64 9.099 -4.045 10.371 529 HG21 VAL 64 1HG2 VAL 64 7.653 -7.159 11.859 530 HG22 VAL 64 2HG2 VAL 64 6.708 -5.859 11.130 531 HG23 VAL 64 3HG2 VAL 64 8.067 -5.475 12.189 532 H ALA 65 H ALA 65 10.498 -7.742 8.338 533 HA ALA 65 HA ALA 65 10.681 -6.091 6.042 534 HB1 ALA 65 1HB ALA 65 12.789 -7.280 5.576 535 HB2 ALA 65 2HB ALA 65 12.381 -8.504 6.784 536 HB3 ALA 65 3HB ALA 65 12.678 -6.835 7.278 537 H GLY 66 H GLY 66 9.782 -9.492 6.524 538 HA2 GLY 66 2HA GLY 66 9.531 -10.322 3.836 539 HA3 GLY 66 1HA GLY 66 8.614 -10.964 5.198 540 H TYR 67 H TYR 67 7.151 -8.845 6.054 541 HA TYR 67 HA TYR 67 5.004 -8.692 4.203 542 HB2 TYR 67 2HB TYR 67 5.498 -7.093 6.749 543 HB3 TYR 67 1HB TYR 67 3.979 -7.100 5.856 544 HD1 TYR 67 HD1 TYR 67 4.975 -8.131 8.821 545 HD2 TYR 67 HD2 TYR 67 3.648 -9.981 5.198 546 HE1 TYR 67 HE1 TYR 67 4.193 -10.082 10.099 547 HE2 TYR 67 HE2 TYR 67 2.870 -11.925 6.478 548 HH TYR 67 HH TYR 67 3.299 -13.022 8.600 549 H ILE 68 H ILE 68 7.696 -6.598 4.889 550 HA ILE 68 HA ILE 68 6.805 -4.258 3.518 551 HB ILE 68 HB ILE 68 9.544 -5.204 4.462 552 HG12 ILE 68 2HG1 ILE 68 7.767 -2.886 5.352 553 HG13 ILE 68 1HG1 ILE 68 7.923 -4.425 6.187 554 HG21 ILE 68 1HG2 ILE 68 10.494 -2.996 3.849 555 HG22 ILE 68 2HG2 ILE 68 8.991 -2.591 3.020 556 HG23 ILE 68 3HG2 ILE 68 9.990 -3.917 2.428 557 HD11 ILE 68 1HD1 ILE 68 10.111 -2.380 5.823 558 HD12 ILE 68 2HD1 ILE 68 10.272 -3.931 6.655 559 HD13 ILE 68 3HD1 ILE 68 9.190 -2.693 7.294 560 H LYS 69 H LYS 69 8.827 -7.075 2.605 561 HA LYS 69 HA LYS 69 9.376 -6.332 -0.053 562 HB2 LYS 69 2HB LYS 69 9.148 -9.052 1.292 563 HB3 LYS 69 1HB LYS 69 9.501 -8.920 -0.427 564 HG2 LYS 69 2HG LYS 69 11.186 -7.746 1.805 565 HG3 LYS 69 1HG LYS 69 11.538 -9.231 0.915 566 HD2 LYS 69 2HD LYS 69 11.614 -7.849 -1.209 567 HD3 LYS 69 1HD LYS 69 11.460 -6.402 -0.207 568 HE2 LYS 69 2HE LYS 69 13.720 -8.425 -0.051 569 HE3 LYS 69 1HE LYS 69 13.804 -6.847 -0.831 570 HZ1 LYS 69 1HZ LYS 69 13.371 -7.352 2.060 571 HZ2 LYS 69 2HZ LYS 69 13.366 -5.827 1.338 572 HZ3 LYS 69 3HZ LYS 69 14.776 -6.750 1.345 573 H GLN 70 H GLN 70 6.692 -8.159 1.370 574 HA GLN 70 HA GLN 70 5.234 -8.827 -0.905 575 HB2 GLN 70 2HB GLN 70 4.146 -8.159 1.864 576 HB3 GLN 70 1HB GLN 70 3.226 -8.940 0.584 577 HG2 GLN 70 2HG GLN 70 4.853 -10.842 0.647 578 HG3 GLN 70 1HG GLN 70 5.624 -10.078 2.040 579 HE21 GLN 70 1HE2 GLN 70 5.113 -11.669 3.523 580 HE22 GLN 70 2HE2 GLN 70 3.499 -12.045 4.011 581 H THR 71 H THR 71 4.782 -5.992 1.253 582 HA THR 71 HA THR 71 2.628 -4.990 -0.294 583 HB THR 71 HB THR 71 2.785 -4.533 2.130 584 HG1 THR 71 HG1 THR 71 2.687 -2.232 0.422 585 HG21 THR 71 1HG2 THR 71 5.193 -4.030 2.363 586 HG22 THR 71 2HG2 THR 71 4.197 -2.715 2.993 587 HG23 THR 71 3HG2 THR 71 4.978 -2.551 1.419 588 H LEU 72 H LEU 72 6.102 -4.146 -0.207 589 HA LEU 72 HA LEU 72 5.836 -1.845 -1.884 590 HB2 LEU 72 2HB LEU 72 8.251 -3.510 -1.100 591 HB3 LEU 72 1HB LEU 72 8.389 -2.161 -2.214 592 HG LEU 72 HG LEU 72 7.448 -1.950 0.682 593 HD11 LEU 72 1HD1 LEU 72 9.840 -2.467 0.508 594 HD12 LEU 72 2HD1 LEU 72 9.587 -0.830 1.103 595 HD13 LEU 72 3HD1 LEU 72 10.080 -1.091 -0.574 596 HD21 LEU 72 1HD2 LEU 72 7.617 0.508 0.338 597 HD22 LEU 72 2HD2 LEU 72 6.370 -0.232 -0.668 598 HD23 LEU 72 3HD2 LEU 72 7.916 0.236 -1.384 599 H ASP 73 H ASP 73 6.423 -5.294 -2.559 600 HA ASP 73 HA ASP 73 6.930 -4.953 -5.376 601 HB2 ASP 73 2HB ASP 73 7.702 -6.991 -4.258 602 HB3 ASP 73 1HB ASP 73 6.058 -7.414 -3.793 603 H ASN 74 H ASN 74 4.046 -5.814 -3.459 604 HA ASN 74 HA ASN 74 2.211 -6.197 -5.566 605 HB2 ASN 74 2HB ASN 74 1.760 -5.333 -2.684 606 HB3 ASN 74 1HB ASN 74 0.447 -5.728 -3.789 607 HD21 ASN 74 1HD2 ASN 74 1.254 -6.950 -1.251 608 HD22 ASN 74 2HD2 ASN 74 1.483 -8.625 -1.602 609 H GLU 75 H GLU 75 3.038 -3.360 -3.627 610 HA GLU 75 HA GLU 75 1.161 -1.584 -4.853 611 HB2 GLU 75 2HB GLU 75 1.959 -1.291 -2.526 612 HB3 GLU 75 1HB GLU 75 3.590 -0.984 -3.110 613 HG2 GLU 75 2HG GLU 75 2.685 1.034 -4.328 614 HG3 GLU 75 1HG GLU 75 1.137 0.749 -3.535 615 H GLN 76 H GLN 76 4.550 -2.425 -5.448 616 HA GLN 76 HA GLN 76 5.251 -0.410 -7.290 617 HB2 GLN 76 2HB GLN 76 6.904 -2.002 -6.398 618 HB3 GLN 76 1HB GLN 76 6.072 -3.348 -7.169 619 HG2 GLN 76 2HG GLN 76 6.631 -2.320 -9.398 620 HG3 GLN 76 1HG GLN 76 7.594 -1.114 -8.543 621 HE21 GLN 76 1HE2 GLN 76 7.351 -4.475 -9.442 622 HE22 GLN 76 2HE2 GLN 76 8.983 -4.902 -9.062 623 H LEU 77 H LEU 77 3.855 -3.635 -7.786 624 HA LEU 77 HA LEU 77 3.407 -3.438 -10.559 625 HB2 LEU 77 2HB LEU 77 2.160 -5.204 -8.434 626 HB3 LEU 77 1HB LEU 77 1.841 -5.403 -10.150 627 HG LEU 77 HG LEU 77 4.616 -5.624 -8.907 628 HD11 LEU 77 1HD1 LEU 77 4.411 -8.058 -9.178 629 HD12 LEU 77 2HD1 LEU 77 2.732 -7.868 -9.695 630 HD13 LEU 77 3HD1 LEU 77 3.208 -7.425 -8.055 631 HD21 LEU 77 1HD2 LEU 77 5.257 -6.635 -11.051 632 HD22 LEU 77 2HD2 LEU 77 4.673 -4.987 -11.263 633 HD23 LEU 77 3HD2 LEU 77 3.633 -6.352 -11.685 634 H LEU 78 H LEU 78 1.276 -2.794 -7.759 635 HA LEU 78 HA LEU 78 -1.047 -1.937 -9.055 636 HB2 LEU 78 2HB LEU 78 0.205 -1.189 -6.393 637 HB3 LEU 78 1HB LEU 78 -1.244 -0.356 -6.922 638 HG LEU 78 HG LEU 78 -1.077 -3.374 -6.561 639 HD11 LEU 78 1HD1 LEU 78 -2.248 -1.314 -4.658 640 HD12 LEU 78 2HD1 LEU 78 -0.775 -2.253 -4.395 641 HD13 LEU 78 3HD1 LEU 78 -2.334 -3.073 -4.480 642 HD21 LEU 78 1HD2 LEU 78 -3.532 -3.253 -6.689 643 HD22 LEU 78 2HD2 LEU 78 -2.774 -2.671 -8.166 644 HD23 LEU 78 3HD2 LEU 78 -3.440 -1.519 -7.004 645 H LYS 79 H LYS 79 1.889 -0.131 -8.259 646 HA LYS 79 HA LYS 79 0.938 2.473 -8.768 647 HB2 LYS 79 2HB LYS 79 2.974 1.903 -7.421 648 HB3 LYS 79 1HB LYS 79 3.799 1.420 -8.896 649 HG2 LYS 79 2HG LYS 79 3.664 3.756 -9.729 650 HG3 LYS 79 1HG LYS 79 2.852 4.234 -8.230 651 HD2 LYS 79 2HD LYS 79 4.868 3.494 -6.936 652 HD3 LYS 79 1HD LYS 79 5.663 3.075 -8.454 653 HE2 LYS 79 2HE LYS 79 5.566 5.442 -9.150 654 HE3 LYS 79 1HE LYS 79 4.790 5.855 -7.617 655 HZ1 LYS 79 1HZ LYS 79 7.123 6.303 -7.465 656 HZ2 LYS 79 2HZ LYS 79 7.522 4.746 -7.977 657 HZ3 LYS 79 3HZ LYS 79 6.777 4.973 -6.477 658 H GLY 80 H GLY 80 2.953 0.283 -10.760 659 HA2 GLY 80 2HA GLY 80 3.051 1.919 -13.080 660 HA3 GLY 80 1HA GLY 80 3.420 0.204 -13.012 661 H LEU 81 H LEU 81 0.932 -0.772 -12.154 662 HA LEU 81 HA LEU 81 -0.430 -1.164 -14.582 663 HB2 LEU 81 2HB LEU 81 -0.327 -2.711 -12.622 664 HB3 LEU 81 1HB LEU 81 -1.391 -1.650 -11.729 665 HG LEU 81 HG LEU 81 -2.293 -2.998 -14.311 666 HD11 LEU 81 1HD1 LEU 81 -2.520 -4.134 -11.504 667 HD12 LEU 81 2HD1 LEU 81 -1.534 -4.778 -12.820 668 HD13 LEU 81 3HD1 LEU 81 -3.291 -4.792 -12.955 669 HD21 LEU 81 1HD2 LEU 81 -3.732 -1.178 -13.548 670 HD22 LEU 81 2HD2 LEU 81 -3.853 -1.905 -11.947 671 HD23 LEU 81 3HD2 LEU 81 -4.557 -2.725 -13.345 672 H LEU 82 H LEU 82 -1.316 0.718 -11.702 673 HA LEU 82 HA LEU 82 -3.779 1.720 -12.761 674 HB2 LEU 82 2HB LEU 82 -2.173 2.281 -10.257 675 HB3 LEU 82 1HB LEU 82 -3.649 3.167 -10.607 676 HG LEU 82 HG LEU 82 -3.672 0.127 -10.498 677 HD11 LEU 82 1HD1 LEU 82 -2.706 0.876 -8.371 678 HD12 LEU 82 2HD1 LEU 82 -4.320 0.209 -8.151 679 HD13 LEU 82 3HD1 LEU 82 -4.076 1.960 -8.115 680 HD21 LEU 82 1HD2 LEU 82 -5.611 1.235 -11.494 681 HD22 LEU 82 2HD2 LEU 82 -5.820 2.218 -10.039 682 HD23 LEU 82 3HD2 LEU 82 -6.034 0.465 -9.965 683 H GLN 83 H GLN 83 -0.465 2.894 -12.673 684 HA GLN 83 HA GLN 83 -0.955 5.576 -13.449 685 HB2 GLN 83 2HB GLN 83 1.233 4.704 -12.593 686 HB3 GLN 83 1HB GLN 83 1.457 3.803 -14.081 687 HG2 GLN 83 2HG GLN 83 1.163 6.809 -14.126 688 HG3 GLN 83 1HG GLN 83 2.709 6.068 -13.745 689 HE21 GLN 83 1HE2 GLN 83 2.350 3.837 -15.651 690 HE22 GLN 83 2HE2 GLN 83 2.550 4.527 -17.223 691 H GLN 84 H GLN 84 -0.361 2.599 -15.349 692 HA GLN 84 HA GLN 84 -0.726 3.822 -17.924 693 HB2 GLN 84 2HB GLN 84 -0.712 0.900 -17.088 694 HB3 GLN 84 1HB GLN 84 -0.751 1.455 -18.760 695 HG2 GLN 84 2HG GLN 84 1.439 2.589 -18.402 696 HG3 GLN 84 1HG GLN 84 1.486 1.934 -16.768 697 HE21 GLN 84 1HE2 GLN 84 0.352 0.182 -19.647 698 HE22 GLN 84 2HE2 GLN 84 1.644 -0.963 -19.645 699 H ARG 85 H ARG 85 -2.857 2.326 -15.591 700 HA ARG 85 HA ARG 85 -5.039 1.821 -17.361 701 HB2 ARG 85 2HB ARG 85 -4.782 0.591 -15.198 702 HB3 ARG 85 1HB ARG 85 -5.063 2.090 -14.319 703 HG2 ARG 85 2HG ARG 85 -7.065 0.632 -14.396 704 HG3 ARG 85 1HG ARG 85 -7.347 2.211 -15.134 705 HD2 ARG 85 2HD ARG 85 -8.350 0.354 -16.437 706 HD3 ARG 85 1HD ARG 85 -7.146 1.252 -17.362 707 HE ARG 85 HE ARG 85 -6.263 -1.201 -16.010 708 HH11 ARG 85 1HH1 ARG 85 -7.201 0.325 -19.056 709 HH12 ARG 85 2HH1 ARG 85 -6.495 -0.921 -20.035 710 HH21 ARG 85 1HH2 ARG 85 -5.340 -2.824 -17.312 711 HH22 ARG 85 2HH2 ARG 85 -5.439 -2.711 -19.044 712 H LEU 86 H LEU 86 -4.405 4.368 -14.892 713 HA LEU 86 HA LEU 86 -6.623 6.000 -15.525 714 HB2 LEU 86 2HB LEU 86 -3.953 6.642 -14.224 715 HB3 LEU 86 1HB LEU 86 -5.213 7.851 -14.414 716 HG LEU 86 HG LEU 86 -5.552 5.271 -12.828 717 HD11 LEU 86 1HD1 LEU 86 -5.067 8.082 -11.780 718 HD12 LEU 86 2HD1 LEU 86 -3.888 6.768 -11.790 719 HD13 LEU 86 3HD1 LEU 86 -5.344 6.626 -10.817 720 HD21 LEU 86 1HD2 LEU 86 -7.600 6.344 -11.967 721 HD22 LEU 86 2HD2 LEU 86 -7.674 6.100 -13.709 722 HD23 LEU 86 3HD2 LEU 86 -7.353 7.711 -13.058 723 H ASP 87 H ASP 87 -3.371 5.788 -16.884 724 HA ASP 87 HA ASP 87 -3.314 7.986 -18.594 725 HB2 ASP 87 2HB ASP 87 -1.420 6.388 -18.207 726 HB3 ASP 87 1HB ASP 87 -2.271 5.162 -19.132 727 H GLU 88 H GLU 88 -4.439 4.667 -19.342 728 HA GLU 88 HA GLU 88 -5.573 5.205 -21.857 729 HB2 GLU 88 2HB GLU 88 -6.146 3.020 -19.836 730 HB3 GLU 88 1HB GLU 88 -6.970 3.090 -21.386 731 HG2 GLU 88 2HG GLU 88 -4.697 2.991 -22.493 732 HG3 GLU 88 1HG GLU 88 -4.016 2.674 -20.897 733 H LEU 89 H LEU 89 -7.045 5.222 -18.618 734 HA LEU 89 HA LEU 89 -9.733 5.505 -19.362 735 HB2 LEU 89 2HB LEU 89 -8.330 6.285 -16.773 736 HB3 LEU 89 1HB LEU 89 -10.070 6.398 -16.985 737 HG LEU 89 HG LEU 89 -8.441 3.828 -17.097 738 HD11 LEU 89 1HD1 LEU 89 -9.542 3.246 -14.989 739 HD12 LEU 89 2HD1 LEU 89 -10.358 4.813 -14.961 740 HD13 LEU 89 3HD1 LEU 89 -8.599 4.727 -14.829 741 HD21 LEU 89 1HD2 LEU 89 -11.450 4.186 -17.300 742 HD22 LEU 89 2HD2 LEU 89 -10.587 2.647 -17.207 743 HD23 LEU 89 3HD2 LEU 89 -10.365 3.693 -18.604 744 H SER 90 H SER 90 -7.284 7.988 -18.563 745 HA SER 90 HA SER 90 -9.030 10.227 -18.901 746 HB2 SER 90 2HB SER 90 -6.950 11.590 -18.890 747 HB3 SER 90 1HB SER 90 -6.981 10.429 -17.565 748 HG SER 90 HG SER 90 -5.502 9.182 -18.637 749 H SER 91 H SER 91 -6.920 8.396 -21.074 750 HA SER 91 HA SER 91 -7.231 9.999 -23.388 751 HB2 SER 91 2HB SER 91 -5.535 8.196 -23.186 752 HB3 SER 91 1HB SER 91 -6.810 6.982 -23.198 753 HG SER 91 HG SER 91 -5.669 7.500 -25.253 754 H LEU 92 H LEU 92 -9.319 7.512 -21.929 755 HA LEU 92 HA LEU 92 -11.193 7.306 -24.107 756 HB2 LEU 92 2HB LEU 92 -11.706 6.653 -21.172 757 HB3 LEU 92 1HB LEU 92 -12.641 6.090 -22.546 758 HG LEU 92 HG LEU 92 -9.846 5.236 -21.752 759 HD11 LEU 92 1HD1 LEU 92 -10.843 3.007 -21.495 760 HD12 LEU 92 2HD1 LEU 92 -12.431 3.677 -21.881 761 HD13 LEU 92 3HD1 LEU 92 -11.578 4.203 -20.429 762 HD21 LEU 92 1HD2 LEU 92 -9.826 3.719 -23.666 763 HD22 LEU 92 2HD2 LEU 92 -9.881 5.402 -24.177 764 HD23 LEU 92 3HD2 LEU 92 -11.342 4.411 -24.253 765 H ILE 93 H ILE 93 -10.988 9.164 -21.128 766 HA ILE 93 HA ILE 93 -13.604 10.300 -21.154 767 HB ILE 93 HB ILE 93 -11.048 10.993 -19.637 768 HG12 ILE 93 2HG1 ILE 93 -13.638 9.683 -18.692 769 HG13 ILE 93 1HG1 ILE 93 -12.176 8.813 -19.128 770 HG21 ILE 93 1HG2 ILE 93 -12.395 12.447 -18.148 771 HG22 ILE 93 2HG2 ILE 93 -13.785 12.240 -19.214 772 HG23 ILE 93 3HG2 ILE 93 -12.343 13.070 -19.800 773 HD11 ILE 93 1HD1 ILE 93 -12.379 8.973 -16.742 774 HD12 ILE 93 2HD1 ILE 93 -12.467 10.733 -16.822 775 HD13 ILE 93 3HD1 ILE 93 -10.981 9.897 -17.288 776 H GLY 94 H GLY 94 -10.445 11.368 -22.340 777 HA2 GLY 94 2HA GLY 94 -11.675 13.159 -24.242 778 HA3 GLY 94 1HA GLY 94 -10.773 14.002 -22.983 779 H GLN 95 H GLN 95 -8.506 13.431 -22.705 780 HA GLN 95 HA GLN 95 -7.119 11.850 -24.655 781 HB2 GLN 95 2HB GLN 95 -7.564 13.956 -25.958 782 HB3 GLN 95 1HB GLN 95 -6.725 14.894 -24.728 783 HG2 GLN 95 2HG GLN 95 -4.615 13.748 -25.253 784 HG3 GLN 95 1HG GLN 95 -5.446 12.710 -26.415 785 HE21 GLN 95 1HE2 GLN 95 -4.140 13.388 -28.113 786 HE22 GLN 95 2HE2 GLN 95 -4.262 14.956 -28.822 787 H VAL 96 H VAL 96 -5.296 11.136 -23.710 788 HA VAL 96 HA VAL 96 -4.387 12.228 -21.146 789 HB VAL 96 HB VAL 96 -4.596 9.735 -21.525 790 HG11 VAL 96 1HG1 VAL 96 -2.230 10.071 -23.392 791 HG12 VAL 96 2HG1 VAL 96 -3.866 9.589 -23.847 792 HG13 VAL 96 3HG1 VAL 96 -2.887 8.529 -22.829 793 HG21 VAL 96 1HG2 VAL 96 -3.178 10.552 -19.714 794 HG22 VAL 96 2HG2 VAL 96 -1.804 10.701 -20.810 795 HG23 VAL 96 3HG2 VAL 96 -2.459 9.107 -20.426 796 H LEU 97 H LEU 97 -2.090 12.818 -20.855 797 HA LEU 97 HA LEU 97 -0.837 14.104 -23.129 798 HB2 LEU 97 2HB LEU 97 0.108 13.705 -20.256 799 HB3 LEU 97 1HB LEU 97 1.049 14.546 -21.471 800 HG LEU 97 HG LEU 97 0.019 16.231 -20.123 801 HD11 LEU 97 1HD1 LEU 97 0.041 16.746 -22.501 802 HD12 LEU 97 2HD1 LEU 97 -1.338 17.499 -21.701 803 HD13 LEU 97 3HD1 LEU 97 -1.576 16.054 -22.689 804 HD21 LEU 97 1HD2 LEU 97 -2.404 16.405 -19.679 805 HD22 LEU 97 2HD2 LEU 97 -1.735 14.904 -19.043 806 HD23 LEU 97 3HD2 LEU 97 -2.674 14.882 -20.536 807 H PHE 98 H PHE 98 1.203 13.522 -23.987 808 HA PHE 98 HA PHE 98 1.760 10.844 -24.534 809 HB2 PHE 98 2HB PHE 98 4.025 11.686 -25.320 810 HB3 PHE 98 1HB PHE 98 2.647 12.540 -25.997 811 HD1 PHE 98 HD1 PHE 98 5.450 12.815 -23.558 812 HD2 PHE 98 HD2 PHE 98 2.315 14.895 -25.589 813 HE1 PHE 98 HE1 PHE 98 6.359 14.960 -22.777 814 HE2 PHE 98 HE2 PHE 98 3.229 17.036 -24.801 815 HZ PHE 98 HZ PHE 98 5.240 17.070 -23.386 816 H GLN 99 H GLN 99 2.862 12.886 -21.937 817 HA GLN 99 HA GLN 99 3.678 10.571 -20.357 818 HB2 GLN 99 2HB GLN 99 5.796 11.378 -21.333 819 HB3 GLN 99 1HB GLN 99 5.452 13.023 -20.815 820 HG2 GLN 99 2HG GLN 99 5.554 12.233 -18.435 821 HG3 GLN 99 1HG GLN 99 6.033 10.643 -19.021 822 HE21 GLN 99 1HE2 GLN 99 7.115 13.724 -20.404 823 HE22 GLN 99 2HE2 GLN 99 8.763 13.547 -19.930 824 H GLY 100 H GLY 100 2.499 10.747 -18.535 825 HA2 GLY 100 2HA GLY 100 2.416 13.181 -16.977 826 HA3 GLY 100 1HA GLY 100 0.860 12.773 -17.697 827 HA PRO 101 HA PRO 101 1.723 9.156 -14.638 828 HB2 PRO 101 2HB PRO 101 4.157 8.719 -13.575 829 HB3 PRO 101 1HB PRO 101 3.882 8.427 -15.305 830 HG2 PRO 101 2HG PRO 101 5.238 10.750 -13.987 831 HG3 PRO 101 1HG PRO 101 5.680 9.880 -15.473 832 HD2 PRO 101 2HD PRO 101 4.231 12.291 -15.384 833 HD3 PRO 101 1HD PRO 101 4.326 11.192 -16.775 834 H SER 102 H SER 102 0.946 11.813 -13.851 835 HA SER 102 HA SER 102 1.435 11.810 -10.950 836 HB2 SER 102 2HB SER 102 3.103 13.380 -12.005 837 HB3 SER 102 1HB SER 102 1.772 14.279 -12.731 838 HG SER 102 HG SER 102 2.554 14.115 -10.018 839 H ALA 103 H ALA 103 0.014 13.794 -10.060 840 HA ALA 103 HA ALA 103 -2.740 13.251 -10.745 841 HB1 ALA 103 1HB ALA 103 -3.271 14.746 -8.861 842 HB2 ALA 103 2HB ALA 103 -1.572 15.206 -8.732 843 HB3 ALA 103 3HB ALA 103 -2.064 13.547 -8.390 844 H GLY 104 H GLY 104 -2.700 14.005 -12.919 845 HA2 GLY 104 2HA GLY 104 -3.421 16.845 -13.180 846 HA3 GLY 104 1HA GLY 104 -2.111 16.251 -14.194 847 H LEU 105 H LEU 105 -3.623 13.562 -14.198 848 HA LEU 105 HA LEU 105 -4.955 13.924 -16.693 849 HB2 LEU 105 2HB LEU 105 -4.950 11.505 -14.832 850 HB3 LEU 105 1HB LEU 105 -5.460 11.499 -16.512 851 HG LEU 105 HG LEU 105 -2.625 11.956 -15.495 852 HD11 LEU 105 1HD1 LEU 105 -2.087 9.850 -16.630 853 HD12 LEU 105 2HD1 LEU 105 -3.784 9.639 -17.073 854 HD13 LEU 105 3HD1 LEU 105 -3.303 9.620 -15.375 855 HD21 LEU 105 1HD2 LEU 105 -3.619 11.986 -18.363 856 HD22 LEU 105 2HD2 LEU 105 -1.926 12.021 -17.857 857 HD23 LEU 105 3HD2 LEU 105 -2.993 13.361 -17.448 858 H VAL 106 H VAL 106 -6.933 14.712 -16.944 859 HA VAL 106 HA VAL 106 -9.035 15.435 -16.686 860 HB VAL 106 HB VAL 106 -9.446 13.157 -14.696 861 HG11 VAL 106 1HG1 VAL 106 -11.477 14.722 -16.326 862 HG12 VAL 106 2HG1 VAL 106 -11.240 14.819 -14.580 863 HG13 VAL 106 3HG1 VAL 106 -11.841 13.327 -15.303 864 HG21 VAL 106 1HG2 VAL 106 -8.590 12.294 -16.845 865 HG22 VAL 106 2HG2 VAL 106 -9.881 13.132 -17.709 866 HG23 VAL 106 3HG2 VAL 106 -10.271 11.820 -16.595 867 HA PRO 107 HA PRO 107 -7.759 17.956 -13.012 868 HB2 PRO 107 2HB PRO 107 -8.866 20.211 -14.630 869 HB3 PRO 107 1HB PRO 107 -7.233 20.000 -13.961 870 HG2 PRO 107 2HG PRO 107 -7.661 19.809 -16.594 871 HG3 PRO 107 1HG PRO 107 -6.488 18.744 -15.781 872 HD2 PRO 107 2HD PRO 107 -9.335 18.126 -16.600 873 HD3 PRO 107 1HD PRO 107 -7.856 17.162 -16.849 874 H ARG 108 H ARG 108 -10.825 18.242 -14.790 875 HA ARG 108 HA ARG 108 -12.326 18.417 -12.257 876 HB2 ARG 108 2HB ARG 108 -12.035 20.748 -13.168 877 HB3 ARG 108 1HB ARG 108 -12.819 20.251 -14.659 878 HG2 ARG 108 2HG ARG 108 -14.345 21.519 -13.234 879 HG3 ARG 108 1HG ARG 108 -14.925 19.864 -13.441 880 HD2 ARG 108 2HD ARG 108 -15.130 20.766 -11.104 881 HD3 ARG 108 1HD ARG 108 -14.223 19.259 -11.234 882 HE ARG 108 HE ARG 108 -12.858 21.878 -11.035 883 HH11 ARG 108 1HH1 ARG 108 -13.361 18.622 -9.782 884 HH12 ARG 108 2HH1 ARG 108 -12.044 18.723 -8.658 885 HH21 ARG 108 1HH2 ARG 108 -11.073 21.952 -9.573 886 HH22 ARG 108 2HH2 ARG 108 -10.758 20.594 -8.541 887 H GLY 109 H GLY 109 -12.921 16.295 -12.494 888 HA2 GLY 109 2HA GLY 109 -13.844 15.071 -14.892 889 HA3 GLY 109 1HA GLY 109 -13.990 14.424 -13.266 890 H SER 110 H SER 110 -15.436 16.820 -12.349 891 HA SER 110 HA SER 110 -17.485 17.640 -12.030 892 HB2 SER 110 2HB SER 110 -18.104 16.841 -14.900 893 HB3 SER 110 1HB SER 110 -18.970 18.042 -13.931 894 HG SER 110 HG SER 110 -16.214 18.186 -14.644 895 H GLY 111 H GLY 111 -18.332 14.878 -14.195 896 HA2 GLY 111 2HA GLY 111 -20.518 14.053 -12.498 897 HA3 GLY 111 1HA GLY 111 -19.969 13.276 -13.970 898 H GLY 112 H GLY 112 -19.988 11.165 -13.258 899 HA2 GLY 112 2HA GLY 112 -19.245 10.280 -10.670 900 HA3 GLY 112 1HA GLY 112 -19.484 9.260 -12.077 901 H ILE 113 H ILE 113 -17.372 10.678 -13.608 902 HA ILE 113 HA ILE 113 -15.142 9.039 -12.913 903 HB ILE 113 HB ILE 113 -13.917 10.244 -14.728 904 HG12 ILE 113 2HG1 ILE 113 -16.439 11.960 -14.922 905 HG13 ILE 113 1HG1 ILE 113 -14.884 12.507 -14.317 906 HG21 ILE 113 1HG2 ILE 113 -16.744 9.432 -15.508 907 HG22 ILE 113 2HG2 ILE 113 -15.370 8.340 -15.314 908 HG23 ILE 113 3HG2 ILE 113 -15.362 9.546 -16.601 909 HD11 ILE 113 1HD1 ILE 113 -13.904 12.136 -16.533 910 HD12 ILE 113 2HD1 ILE 113 -15.224 13.301 -16.540 911 HD13 ILE 113 3HD1 ILE 113 -15.494 11.666 -17.145 912 H GLU 114 H GLU 114 -16.078 12.226 -11.936 913 HA GLU 114 HA GLU 114 -13.699 13.512 -11.326 914 HB2 GLU 114 2HB GLU 114 -15.948 14.561 -11.152 915 HB3 GLU 114 1HB GLU 114 -16.313 13.557 -9.753 916 HG2 GLU 114 2HG GLU 114 -15.753 15.676 -8.866 917 HG3 GLU 114 1HG GLU 114 -14.328 14.676 -8.594 918 H GLY 115 H GLY 115 -15.669 11.397 -9.256 919 HA2 GLY 115 2HA GLY 115 -14.000 11.414 -6.983 920 HA3 GLY 115 1HA GLY 115 -15.249 10.231 -7.340 921 H MET1001 H MET 1 -14.221 9.226 -9.760 922 HA MET1001 HA MET 1 -12.528 7.165 -8.880 923 HB2 MET1001 2HB MET 1 -14.028 6.957 -10.844 924 HB3 MET1001 1HB MET 1 -13.073 8.143 -11.719 925 HG2 MET1001 2HG MET 1 -11.130 6.570 -11.640 926 HG3 MET1001 1HG MET 1 -12.179 5.374 -10.876 927 HE1 MET1001 1HE MET 1 -13.051 7.951 -13.806 928 HE2 MET1001 2HE MET 1 -12.722 6.933 -15.208 929 HE3 MET1001 3HE MET 1 -11.400 7.425 -14.150 930 H THR1002 H THR 2 -11.808 10.055 -10.858 931 HA THR1002 HA THR 2 -9.058 9.432 -11.261 932 HB THR1002 HB THR 2 -8.913 11.808 -12.147 933 HG1 THR1002 HG1 THR 2 -10.595 13.139 -11.973 934 HG21 THR1002 1HG2 THR 2 -11.204 10.122 -13.223 935 HG22 THR1002 2HG2 THR 2 -9.499 9.931 -13.637 936 HG23 THR1002 3HG2 THR 2 -10.360 11.397 -14.108 937 H THR1003 H THR 3 -10.715 11.859 -9.192 938 HA THR1003 HA THR 3 -8.425 12.981 -8.048 939 HB THR1003 HB THR 3 -11.174 12.751 -6.747 940 HG1 THR1003 HG1 THR 3 -11.127 13.697 -8.899 941 HG21 THR1003 1HG2 THR 3 -8.972 14.823 -6.335 942 HG22 THR1003 2HG2 THR 3 -9.408 13.563 -5.179 943 HG23 THR1003 3HG2 THR 3 -10.563 14.837 -5.572 944 H ARG1004 H ARG 4 -10.439 10.251 -6.891 945 HA ARG1004 HA ARG 4 -9.042 9.666 -4.523 946 HB2 ARG1004 2HB ARG 4 -10.781 7.977 -6.337 947 HB3 ARG1004 1HB ARG 4 -9.915 7.216 -5.010 948 HG2 ARG1004 2HG ARG 4 -11.047 8.785 -3.428 949 HG3 ARG1004 1HG ARG 4 -12.004 9.402 -4.778 950 HD2 ARG1004 2HD ARG 4 -12.969 7.176 -5.136 951 HD3 ARG1004 1HD ARG 4 -11.946 6.505 -3.860 952 HE ARG1004 HE ARG 4 -13.803 8.659 -3.145 953 HH11 ARG1004 1HH1 ARG 4 -13.041 5.220 -3.033 954 HH12 ARG1004 2HH1 ARG 4 -14.186 4.876 -1.776 955 HH21 ARG1004 1HH2 ARG 4 -15.304 8.192 -1.492 956 HH22 ARG1004 2HH2 ARG 4 -15.469 6.568 -0.903 957 H LEU1005 H LEU 5 -8.707 8.106 -7.755 958 HA LEU1005 HA LEU 5 -6.577 6.439 -6.913 959 HB2 LEU1005 2HB LEU 5 -7.695 7.094 -9.649 960 HB3 LEU1005 1HB LEU 5 -6.283 6.067 -9.472 961 HG LEU1005 HG LEU 5 -9.052 5.469 -8.351 962 HD11 LEU1005 1HD1 LEU 5 -9.084 3.624 -9.981 963 HD12 LEU1005 2HD1 LEU 5 -7.524 4.154 -10.625 964 HD13 LEU1005 3HD1 LEU 5 -8.946 5.191 -10.778 965 HD21 LEU1005 1HD2 LEU 5 -6.525 3.789 -8.207 966 HD22 LEU1005 2HD2 LEU 5 -8.138 3.288 -7.691 967 HD23 LEU1005 3HD2 LEU 5 -7.320 4.602 -6.854 968 H THR1006 H THR 6 -6.507 9.718 -8.203 969 HA THR1006 HA THR 6 -3.683 9.681 -8.826 970 HB THR1006 HB THR 6 -3.888 12.209 -8.880 971 HG1 THR1006 HG1 THR 6 -6.662 12.073 -8.822 972 HG21 THR1006 1HG2 THR 6 -4.225 10.884 -10.939 973 HG22 THR1006 2HG2 THR 6 -5.274 12.304 -10.919 974 HG23 THR1006 3HG2 THR 6 -5.941 10.712 -10.553 975 H ARG1007 H ARG 7 -5.670 10.959 -6.112 976 HA ARG1007 HA ARG 7 -3.597 11.761 -4.376 977 HB2 ARG1007 2HB ARG 7 -6.049 12.249 -4.010 978 HB3 ARG1007 1HB ARG 7 -6.286 10.559 -3.582 979 HG2 ARG1007 2HG ARG 7 -4.583 10.939 -1.698 980 HG3 ARG1007 1HG ARG 7 -4.729 12.663 -2.046 981 HD2 ARG1007 2HD ARG 7 -6.883 10.772 -1.065 982 HD3 ARG1007 1HD ARG 7 -6.214 12.164 -0.219 983 HE ARG1007 HE ARG 7 -8.310 12.131 -2.180 984 HH11 ARG1007 1HH1 ARG 7 -5.845 14.209 -0.745 985 HH12 ARG1007 2HH1 ARG 7 -6.694 15.673 -1.134 986 HH21 ARG1007 1HH2 ARG 7 -9.417 14.035 -2.635 987 HH22 ARG1007 2HH2 ARG 7 -8.723 15.570 -2.207 988 H TRP1008 H TRP 8 -5.006 8.665 -5.069 989 HA TRP1008 HA TRP 8 -3.945 7.103 -2.959 990 HB2 TRP1008 2HB TRP 8 -5.851 6.187 -3.955 991 HB3 TRP1008 1HB TRP 8 -5.355 6.623 -5.577 992 HD1 TRP1008 HD1 TRP 8 -3.928 4.864 -6.941 993 HE1 TRP1008 HE1 TRP 8 -3.494 2.374 -6.600 994 HE3 TRP1008 HE3 TRP 8 -5.450 4.394 -2.087 995 HZ2 TRP1008 HZ2 TRP 8 -3.782 0.436 -4.626 996 HZ3 TRP1008 HZ3 TRP 8 -5.352 2.168 -1.041 997 HH2 TRP1008 HH2 TRP 8 -4.528 0.233 -2.291 998 H LEU1009 H LEU 9 -2.958 7.503 -6.426 999 HA LEU1009 HA LEU 9 -0.687 5.817 -6.280 1000 HB2 LEU1009 2HB LEU 9 -1.363 8.060 -8.221 1001 HB3 LEU1009 1HB LEU 9 0.079 7.073 -8.392 1002 HG LEU1009 HG LEU 9 -2.796 6.081 -8.571 1003 HD11 LEU1009 1HD1 LEU 9 -2.072 7.362 -10.530 1004 HD12 LEU1009 2HD1 LEU 9 -2.293 5.661 -10.923 1005 HD13 LEU1009 3HD1 LEU 9 -0.662 6.314 -10.719 1006 HD21 LEU1009 1HD2 LEU 9 -1.871 3.903 -9.183 1007 HD22 LEU1009 2HD2 LEU 9 -1.390 4.354 -7.551 1008 HD23 LEU1009 3HD2 LEU 9 -0.231 4.485 -8.879 1009 H THR1010 H THR 10 -1.041 9.310 -5.660 1010 HA THR1010 HA THR 10 1.801 9.746 -5.391 1011 HB THR1010 HB THR 10 0.224 11.586 -6.090 1012 HG1 THR1010 HG1 THR 10 2.389 11.766 -4.838 1013 HG21 THR1010 1HG2 THR 10 -1.588 11.189 -4.445 1014 HG22 THR1010 2HG2 THR 10 -1.005 12.853 -4.395 1015 HG23 THR1010 3HG2 THR 10 -0.510 11.707 -3.147 1016 H ALA1011 H ALA 11 -0.828 8.848 -3.220 1017 HA ALA1011 HA ALA 11 0.689 9.091 -0.775 1018 HB1 ALA1011 1HB ALA 11 -1.777 9.159 -0.752 1019 HB2 ALA1011 2HB ALA 11 -1.166 7.850 0.263 1020 HB3 ALA1011 3HB ALA 11 -1.836 7.493 -1.331 1021 H LEU1012 H LEU 12 0.265 6.607 -3.243 1022 HA LEU1012 HA LEU 12 1.415 4.419 -1.808 1023 HB2 LEU1012 2HB LEU 12 1.290 4.888 -4.828 1024 HB3 LEU1012 1HB LEU 12 1.786 3.388 -4.066 1025 HG LEU1012 HG LEU 12 -0.992 4.582 -4.194 1026 HD11 LEU1012 1HD1 LEU 12 0.086 1.887 -5.057 1027 HD12 LEU1012 2HD1 LEU 12 -0.293 3.252 -6.111 1028 HD13 LEU1012 3HD1 LEU 12 -1.582 2.447 -5.223 1029 HD21 LEU1012 1HD2 LEU 12 -0.751 3.874 -1.893 1030 HD22 LEU1012 2HD2 LEU 12 -0.121 2.303 -2.394 1031 HD23 LEU1012 3HD2 LEU 12 -1.795 2.743 -2.752 1032 H ASP1013 H ASP 13 2.649 6.693 -4.221 1033 HA ASP1013 HA ASP 13 5.356 5.989 -4.232 1034 HB2 ASP1013 2HB ASP 13 4.314 7.415 -5.975 1035 HB3 ASP1013 1HB ASP 13 4.060 8.699 -4.798 1036 H ASN1014 H ASN 14 3.515 8.234 -2.185 1037 HA ASN1014 HA ASN 14 5.630 9.341 -0.699 1038 HB2 ASN1014 2HB ASN 14 3.506 10.435 -0.549 1039 HB3 ASN1014 1HB ASN 14 2.685 8.960 -0.036 1040 HD21 ASN1014 1HD2 ASN 14 2.741 8.390 2.143 1041 HD22 ASN1014 2HD2 ASN 14 3.396 9.410 3.375 1042 H PHE1015 H PHE 15 3.574 6.460 -0.045 1043 HA PHE1015 HA PHE 15 4.710 5.738 2.435 1044 HB2 PHE1015 2HB PHE 15 2.633 4.723 1.876 1045 HB3 PHE1015 1HB PHE 15 3.203 4.185 0.302 1046 HD1 PHE1015 HD1 PHE 15 3.724 1.943 0.063 1047 HD2 PHE1015 HD2 PHE 15 3.949 3.614 3.969 1048 HE1 PHE1015 HE1 PHE 15 4.183 -0.280 0.965 1049 HE2 PHE1015 HE2 PHE 15 4.427 1.377 4.890 1050 HZ PHE1015 HZ PHE 15 4.539 -0.579 3.384 1051 H GLU1016 H GLU 16 5.276 4.344 -0.785 1052 HA GLU1016 HA GLU 16 7.374 2.695 -0.572 1053 HB2 GLU1016 2HB GLU 16 6.191 3.245 -2.658 1054 HB3 GLU1016 1HB GLU 16 6.912 4.848 -2.667 1055 HG2 GLU1016 2HG GLU 16 9.172 3.712 -2.914 1056 HG3 GLU1016 1HG GLU 16 8.297 2.197 -3.167 1057 H ALA1017 H ALA 17 7.736 6.202 -1.111 1058 HA ALA1017 HA ALA 17 10.561 6.286 -1.045 1059 HB1 ALA1017 1HB ALA 17 8.575 8.548 -0.627 1060 HB2 ALA1017 2HB ALA 17 9.181 7.981 -2.184 1061 HB3 ALA1017 3HB ALA 17 10.292 8.721 -1.033 1062 H LYS1018 H LYS 18 8.135 7.283 1.352 1063 HA LYS1018 HA LYS 18 9.964 8.324 3.273 1064 HB2 LYS1018 2HB LYS 18 7.608 9.064 2.923 1065 HB3 LYS1018 1HB LYS 18 7.028 7.527 3.549 1066 HG2 LYS1018 2HG LYS 18 7.903 8.070 5.773 1067 HG3 LYS1018 1HG LYS 18 8.623 9.561 5.145 1068 HD2 LYS1018 2HD LYS 18 6.371 10.424 4.570 1069 HD3 LYS1018 1HD LYS 18 5.635 8.938 5.171 1070 HE2 LYS1018 2HE LYS 18 7.236 10.877 6.876 1071 HE3 LYS1018 1HE LYS 18 5.475 10.842 6.772 1072 HZ1 LYS1018 1HZ LYS 18 6.306 9.652 8.701 1073 HZ2 LYS1018 2HZ LYS 18 7.171 8.599 7.715 1074 HZ3 LYS1018 3HZ LYS 18 5.482 8.613 7.661 1075 H MET1019 H MET 19 8.442 5.189 2.833 1076 HA MET1019 HA MET 19 9.265 4.195 5.416 1077 HB2 MET1019 2HB MET 19 8.098 2.231 5.005 1078 HB3 MET1019 1HB MET 19 7.143 3.416 4.138 1079 HG2 MET1019 2HG MET 19 7.525 2.412 2.110 1080 HG3 MET1019 1HG MET 19 9.206 2.035 2.481 1081 HE1 MET1019 1HE MET 19 8.635 0.523 5.377 1082 HE2 MET1019 2HE MET 19 9.884 0.083 4.206 1083 HE3 MET1019 3HE MET 19 8.739 -1.130 4.784 1084 H ALA1020 H ALA 20 10.443 4.062 2.078 1085 HA ALA1020 HA ALA 20 12.698 2.373 2.607 1086 HB1 ALA1020 1HB ALA 20 13.627 3.289 0.513 1087 HB2 ALA1020 2HB ALA 20 12.391 4.552 0.503 1088 HB3 ALA1020 3HB ALA 20 11.924 2.861 0.311 1089 H LEU1021 H LEU 21 11.982 5.751 3.207 1090 HA LEU1021 HA LEU 21 14.709 6.458 3.954 1091 HB2 LEU1021 2HB LEU 21 12.107 8.029 4.111 1092 HB3 LEU1021 1HB LEU 21 13.671 8.678 4.579 1093 HG LEU1021 HG LEU 21 12.918 7.780 1.771 1094 HD11 LEU1021 1HD1 LEU 21 12.948 10.151 1.179 1095 HD12 LEU1021 2HD1 LEU 21 13.257 10.590 2.862 1096 HD13 LEU1021 3HD1 LEU 21 11.735 9.815 2.412 1097 HD21 LEU1021 1HD2 LEU 21 15.057 8.772 1.069 1098 HD22 LEU1021 2HD2 LEU 21 15.291 7.426 2.180 1099 HD23 LEU1021 3HD2 LEU 21 15.474 9.086 2.757 1100 H LEU1022 H LEU 22 11.955 5.095 5.601 1101 HA LEU1022 HA LEU 22 12.232 5.677 8.239 1102 HB2 LEU1022 2HB LEU 22 11.929 2.964 6.945 1103 HB3 LEU1022 1HB LEU 22 12.031 3.080 8.691 1104 HG LEU1022 HG LEU 22 9.853 4.344 6.969 1105 HD11 LEU1022 1HD1 LEU 22 9.648 1.915 7.034 1106 HD12 LEU1022 2HD1 LEU 22 8.380 2.649 8.011 1107 HD13 LEU1022 3HD1 LEU 22 9.785 1.913 8.797 1108 HD21 LEU1022 1HD2 LEU 22 10.281 5.694 8.960 1109 HD22 LEU1022 2HD2 LEU 22 10.155 4.262 9.986 1110 HD23 LEU1022 3HD2 LEU 22 8.740 4.848 9.108 1111 HA PRO1023 HA PRO 23 16.697 4.858 8.854 1112 HB2 PRO1023 2HB PRO 23 17.026 6.236 11.176 1113 HB3 PRO1023 1HB PRO 23 16.814 7.075 9.624 1114 HG2 PRO1023 2HG PRO 23 14.762 6.540 11.753 1115 HG3 PRO1023 1HG PRO 23 15.081 8.042 10.857 1116 HD2 PRO1023 2HD PRO 23 13.069 6.314 10.172 1117 HD3 PRO1023 1HD PRO 23 13.903 7.338 8.982 1118 H ALA1024 H ALA 24 13.982 3.881 10.716 1119 HA ALA1024 HA ALA 24 15.399 1.706 11.999 1120 HB1 ALA1024 1HB ALA 24 14.708 2.299 14.286 1121 HB2 ALA1024 2HB ALA 24 14.024 3.817 13.696 1122 HB3 ALA1024 3HB ALA 24 15.763 3.538 13.602 1123 H VAL1025 H VAL 25 14.038 0.495 10.669 1124 HA VAL1025 HA VAL 25 11.298 0.100 11.678 1125 HB VAL1025 HB VAL 25 11.306 0.744 9.326 1126 HG11 VAL1025 1HG1 VAL 25 13.525 0.001 8.629 1127 HG12 VAL1025 2HG1 VAL 25 12.289 -0.619 7.533 1128 HG13 VAL1025 3HG1 VAL 25 13.022 -1.689 8.737 1129 HG21 VAL1025 1HG2 VAL 25 9.551 -0.783 10.075 1130 HG22 VAL1025 2HG2 VAL 25 10.540 -2.178 9.647 1131 HG23 VAL1025 3HG2 VAL 25 9.953 -1.090 8.383 Start of MODEL 2 1 H1 MET 1 1H MET 1 5.810 -6.707 24.912 2 H2 MET 1 2H MET 1 4.922 -5.270 24.911 3 H3 MET 1 3H MET 1 5.899 -5.656 23.589 4 HA MET 1 HA MET 1 4.558 -7.518 23.042 5 HB2 MET 1 2HB MET 1 3.880 -8.064 25.382 6 HB3 MET 1 1HB MET 1 2.808 -6.675 25.391 7 HG2 MET 1 2HG MET 1 2.482 -8.975 23.450 8 HG3 MET 1 1HG MET 1 1.710 -8.933 25.034 9 HE1 MET 1 1HE MET 1 -1.266 -8.224 22.535 10 HE2 MET 1 2HE MET 1 -0.641 -9.310 23.776 11 HE3 MET 1 3HE MET 1 0.124 -9.248 22.185 12 H THR 2 H THR 2 3.306 -4.392 24.244 13 HA THR 2 HA THR 2 1.004 -4.178 22.715 14 HB THR 2 HB THR 2 2.741 -1.879 23.717 15 HG1 THR 2 HG1 THR 2 0.546 -3.169 25.010 16 HG21 THR 2 1HG2 THR 2 0.608 -0.608 23.829 17 HG22 THR 2 2HG2 THR 2 -0.242 -1.960 23.081 18 HG23 THR 2 3HG2 THR 2 0.986 -1.078 22.171 19 H SER 3 H SER 3 4.001 -2.252 21.984 20 HA SER 3 HA SER 3 3.003 -1.531 19.392 21 HB2 SER 3 2HB SER 3 5.749 -1.069 20.607 22 HB3 SER 3 1HB SER 3 5.114 -0.283 19.152 23 HG SER 3 HG SER 3 3.268 0.189 20.823 24 H THR 4 H THR 4 4.678 -4.256 20.511 25 HA THR 4 HA THR 4 6.064 -5.008 18.130 26 HB THR 4 HB THR 4 5.119 -6.576 20.564 27 HG1 THR 4 HG1 THR 4 7.646 -6.575 20.601 28 HG21 THR 4 1HG2 THR 4 6.869 -7.594 18.291 29 HG22 THR 4 2HG2 THR 4 5.267 -8.198 18.723 30 HG23 THR 4 3HG2 THR 4 6.622 -8.418 19.830 31 H VAL 5 H VAL 5 2.973 -6.162 19.596 32 HA VAL 5 HA VAL 5 2.140 -7.652 17.327 33 HB VAL 5 HB VAL 5 1.274 -8.141 19.606 34 HG11 VAL 5 1HG1 VAL 5 1.013 -5.861 20.480 35 HG12 VAL 5 2HG1 VAL 5 -0.479 -6.785 20.661 36 HG13 VAL 5 3HG1 VAL 5 -0.336 -5.583 19.375 37 HG21 VAL 5 1HG2 VAL 5 -1.077 -8.585 19.007 38 HG22 VAL 5 2HG2 VAL 5 0.003 -8.944 17.655 39 HG23 VAL 5 3HG2 VAL 5 -0.948 -7.459 17.653 40 H GLU 6 H GLU 6 1.651 -4.252 18.328 41 HA GLU 6 HA GLU 6 -0.173 -3.395 16.370 42 HB2 GLU 6 2HB GLU 6 2.188 -1.923 17.615 43 HB3 GLU 6 1HB GLU 6 1.063 -1.138 16.511 44 HG2 GLU 6 2HG GLU 6 -0.790 -1.637 18.094 45 HG3 GLU 6 1HG GLU 6 0.383 -2.329 19.216 46 H PHE 7 H PHE 7 3.395 -3.349 16.237 47 HA PHE 7 HA PHE 7 3.689 -2.244 13.685 48 HB2 PHE 7 2HB PHE 7 5.393 -2.535 15.651 49 HB3 PHE 7 1HB PHE 7 5.714 -4.121 14.972 50 HD1 PHE 7 HD1 PHE 7 7.627 -4.252 13.575 51 HD2 PHE 7 HD2 PHE 7 5.471 -0.552 13.818 52 HE1 PHE 7 HE1 PHE 7 9.276 -3.175 12.101 53 HE2 PHE 7 HE2 PHE 7 7.134 0.503 12.353 54 HZ PHE 7 HZ PHE 7 9.032 -0.805 11.495 55 H ILE 8 H ILE 8 3.894 -5.645 14.727 56 HA ILE 8 HA ILE 8 4.524 -6.762 12.202 57 HB ILE 8 HB ILE 8 3.375 -8.131 14.676 58 HG12 ILE 8 2HG1 ILE 8 6.297 -7.951 13.801 59 HG13 ILE 8 1HG1 ILE 8 5.572 -6.895 15.006 60 HG21 ILE 8 1HG2 ILE 8 4.803 -9.384 12.297 61 HG22 ILE 8 2HG2 ILE 8 3.087 -9.545 12.673 62 HG23 ILE 8 3HG2 ILE 8 4.293 -10.238 13.757 63 HD11 ILE 8 1HD1 ILE 8 5.813 -9.890 15.246 64 HD12 ILE 8 2HD1 ILE 8 5.152 -8.787 16.455 65 HD13 ILE 8 3HD1 ILE 8 6.854 -8.693 16.013 66 H ASN 9 H ASN 9 1.387 -6.496 13.998 67 HA ASN 9 HA ASN 9 -0.063 -8.091 12.085 68 HB2 ASN 9 2HB ASN 9 -1.082 -6.311 14.332 69 HB3 ASN 9 1HB ASN 9 -2.148 -7.232 13.277 70 HD21 ASN 9 1HD2 ASN 9 0.983 -8.275 14.657 71 HD22 ASN 9 2HD2 ASN 9 0.310 -9.560 15.581 72 H ARG 10 H ARG 10 0.565 -4.660 12.442 73 HA ARG 10 HA ARG 10 -1.368 -3.781 10.518 74 HB2 ARG 10 2HB ARG 10 1.088 -2.416 11.671 75 HB3 ARG 10 1HB ARG 10 0.019 -1.636 10.503 76 HG2 ARG 10 2HG ARG 10 -1.843 -1.736 12.032 77 HG3 ARG 10 1HG ARG 10 -0.920 -2.719 13.171 78 HD2 ARG 10 2HD ARG 10 0.641 -0.827 13.511 79 HD3 ARG 10 1HD ARG 10 -0.335 0.157 12.408 80 HE ARG 10 HE ARG 10 -2.177 -0.580 14.183 81 HH11 ARG 10 1HH1 ARG 10 1.049 0.729 14.721 82 HH12 ARG 10 2HH1 ARG 10 0.614 1.458 16.230 83 HH21 ARG 10 1HH2 ARG 10 -2.698 0.341 16.166 84 HH22 ARG 10 2HH2 ARG 10 -1.508 1.239 17.046 85 H TRP 11 H TRP 11 2.217 -4.238 10.358 86 HA TRP 11 HA TRP 11 2.526 -3.795 7.611 87 HB2 TRP 11 2HB TRP 11 4.144 -5.465 9.564 88 HB3 TRP 11 1HB TRP 11 4.568 -5.435 7.857 89 HD1 TRP 11 HD1 TRP 11 5.488 -3.749 10.931 90 HE1 TRP 11 HE1 TRP 11 6.622 -1.505 10.459 91 HE3 TRP 11 HE3 TRP 11 4.209 -3.165 6.014 92 HZ2 TRP 11 HZ2 TRP 11 6.959 0.305 8.339 93 HZ3 TRP 11 HZ3 TRP 11 4.972 -1.143 4.840 94 HH2 TRP 11 HH2 TRP 11 6.313 0.555 5.980 95 H GLN 12 H GLN 12 1.586 -6.721 9.358 96 HA GLN 12 HA GLN 12 1.573 -8.572 7.247 97 HB2 GLN 12 2HB GLN 12 1.311 -9.187 9.664 98 HB3 GLN 12 1HB GLN 12 -0.315 -8.509 9.647 99 HG2 GLN 12 2HG GLN 12 -0.944 -10.182 7.890 100 HG3 GLN 12 1HG GLN 12 0.664 -10.890 8.030 101 HE21 GLN 12 1HE2 GLN 12 -0.113 -12.891 8.672 102 HE22 GLN 12 2HE2 GLN 12 -0.846 -13.164 10.209 103 H ARG 13 H ARG 13 -1.013 -6.517 8.572 104 HA ARG 13 HA ARG 13 -3.060 -7.283 6.800 105 HB2 ARG 13 2HB ARG 13 -3.615 -6.246 8.914 106 HB3 ARG 13 1HB ARG 13 -2.706 -4.792 8.511 107 HG2 ARG 13 2HG ARG 13 -4.335 -4.148 6.841 108 HG3 ARG 13 1HG ARG 13 -5.166 -5.696 6.977 109 HD2 ARG 13 2HD ARG 13 -4.975 -3.668 9.222 110 HD3 ARG 13 1HD ARG 13 -6.334 -3.785 8.096 111 HE ARG 13 HE ARG 13 -5.589 -6.182 9.613 112 HH11 ARG 13 1HH1 ARG 13 -7.877 -3.517 9.233 113 HH12 ARG 13 2HH1 ARG 13 -9.092 -4.284 10.204 114 HH21 ARG 13 1HH2 ARG 13 -7.197 -7.174 10.825 115 HH22 ARG 13 2HH2 ARG 13 -8.706 -6.367 11.112 116 H ILE 14 H ILE 14 -0.582 -4.761 6.585 117 HA ILE 14 HA ILE 14 -1.656 -3.360 4.337 118 HB ILE 14 HB ILE 14 1.161 -3.439 5.513 119 HG12 ILE 14 2HG1 ILE 14 -1.001 -1.304 5.702 120 HG13 ILE 14 1HG1 ILE 14 -0.624 -2.470 6.962 121 HG21 ILE 14 1HG2 ILE 14 1.322 -2.769 3.143 122 HG22 ILE 14 2HG2 ILE 14 1.713 -1.427 4.212 123 HG23 ILE 14 3HG2 ILE 14 0.139 -1.494 3.419 124 HD11 ILE 14 1HD1 ILE 14 1.198 -0.309 5.931 125 HD12 ILE 14 2HD1 ILE 14 1.624 -1.515 7.150 126 HD13 ILE 14 3HD1 ILE 14 0.345 -0.344 7.476 127 H ALA 15 H ALA 15 0.666 -6.004 4.739 128 HA ALA 15 HA ALA 15 1.455 -6.293 2.028 129 HB1 ALA 15 1HB ALA 15 2.741 -7.208 3.922 130 HB2 ALA 15 2HB ALA 15 2.351 -8.463 2.747 131 HB3 ALA 15 3HB ALA 15 1.442 -8.355 4.258 132 H LEU 16 H LEU 16 -1.094 -7.789 3.983 133 HA LEU 16 HA LEU 16 -2.070 -9.598 1.999 134 HB2 LEU 16 2HB LEU 16 -3.327 -8.556 4.569 135 HB3 LEU 16 1HB LEU 16 -4.023 -9.842 3.591 136 HG LEU 16 HG LEU 16 -1.321 -9.972 4.991 137 HD11 LEU 16 1HD1 LEU 16 -2.348 -11.578 6.519 138 HD12 LEU 16 2HD1 LEU 16 -3.916 -11.338 5.742 139 HD13 LEU 16 3HD1 LEU 16 -3.141 -10.006 6.605 140 HD21 LEU 16 1HD2 LEU 16 -1.321 -12.367 4.386 141 HD22 LEU 16 2HD2 LEU 16 -1.283 -11.322 2.970 142 HD23 LEU 16 3HD2 LEU 16 -2.788 -12.124 3.429 143 H LEU 17 H LEU 17 -3.009 -6.347 3.052 144 HA LEU 17 HA LEU 17 -5.324 -6.033 1.455 145 HB2 LEU 17 2HB LEU 17 -3.432 -4.046 2.739 146 HB3 LEU 17 1HB LEU 17 -4.712 -3.484 1.678 147 HG LEU 17 HG LEU 17 -5.223 -5.099 4.209 148 HD11 LEU 17 1HD1 LEU 17 -5.856 -3.005 5.291 149 HD12 LEU 17 2HD1 LEU 17 -5.410 -2.095 3.847 150 HD13 LEU 17 3HD1 LEU 17 -4.171 -2.948 4.771 151 HD21 LEU 17 1HD2 LEU 17 -7.015 -5.252 2.519 152 HD22 LEU 17 2HD2 LEU 17 -7.128 -3.490 2.467 153 HD23 LEU 17 3HD2 LEU 17 -7.544 -4.364 3.945 154 H SER 18 H SER 18 -1.882 -5.215 0.925 155 HA SER 18 HA SER 18 -2.265 -3.885 -1.543 156 HB2 SER 18 2HB SER 18 0.213 -4.056 -1.787 157 HB3 SER 18 1HB SER 18 -0.272 -3.451 -0.204 158 HG SER 18 HG SER 18 0.711 -5.061 0.650 159 H GLN 19 H GLN 19 -1.456 -7.304 -0.742 160 HA GLN 19 HA GLN 19 -1.107 -8.074 -3.485 161 HB2 GLN 19 2HB GLN 19 -1.102 -10.387 -2.758 162 HB3 GLN 19 1HB GLN 19 -0.126 -9.430 -1.652 163 HG2 GLN 19 2HG GLN 19 -1.874 -9.495 0.026 164 HG3 GLN 19 1HG GLN 19 -2.971 -10.305 -1.090 165 HE21 GLN 19 1HE2 GLN 19 -3.240 -12.044 0.339 166 HE22 GLN 19 2HE2 GLN 19 -2.011 -13.231 0.591 167 H SER 20 H SER 20 -3.911 -8.036 -1.278 168 HA SER 20 HA SER 20 -5.765 -9.288 -2.990 169 HB2 SER 20 2HB SER 20 -6.225 -7.125 -0.889 170 HB3 SER 20 1HB SER 20 -7.516 -8.041 -1.675 171 HG SER 20 HG SER 20 -5.980 -8.734 0.421 172 H LEU 21 H LEU 21 -5.238 -5.815 -2.447 173 HA LEU 21 HA LEU 21 -6.718 -4.650 -4.436 174 HB2 LEU 21 2HB LEU 21 -4.082 -3.775 -3.201 175 HB3 LEU 21 1HB LEU 21 -5.050 -2.729 -4.230 176 HG LEU 21 HG LEU 21 -6.191 -3.915 -1.676 177 HD11 LEU 21 1HD1 LEU 21 -4.705 -1.287 -1.894 178 HD12 LEU 21 2HD1 LEU 21 -4.197 -2.708 -0.984 179 HD13 LEU 21 3HD1 LEU 21 -5.643 -1.827 -0.499 180 HD21 LEU 21 1HD2 LEU 21 -6.950 -1.492 -3.333 181 HD22 LEU 21 2HD2 LEU 21 -7.722 -1.990 -1.827 182 HD23 LEU 21 3HD2 LEU 21 -7.821 -3.027 -3.244 183 H LEU 22 H LEU 22 -3.448 -5.991 -4.614 184 HA LEU 22 HA LEU 22 -2.701 -5.050 -7.164 185 HB2 LEU 22 2HB LEU 22 -1.018 -5.905 -5.644 186 HB3 LEU 22 1HB LEU 22 -1.806 -7.473 -5.568 187 HG LEU 22 HG LEU 22 -1.205 -7.926 -7.924 188 HD11 LEU 22 1HD1 LEU 22 0.272 -6.407 -9.164 189 HD12 LEU 22 2HD1 LEU 22 0.127 -5.212 -7.871 190 HD13 LEU 22 3HD1 LEU 22 -1.295 -5.679 -8.813 191 HD21 LEU 22 1HD2 LEU 22 1.192 -8.213 -7.668 192 HD22 LEU 22 2HD2 LEU 22 0.378 -8.597 -6.152 193 HD23 LEU 22 3HD2 LEU 22 1.223 -7.057 -6.334 194 H GLU 23 H GLU 23 -3.916 -8.226 -6.130 195 HA GLU 23 HA GLU 23 -4.133 -9.406 -8.672 196 HB2 GLU 23 2HB GLU 23 -4.152 -10.676 -6.527 197 HB3 GLU 23 1HB GLU 23 -5.748 -10.020 -6.157 198 HG2 GLU 23 2HG GLU 23 -6.649 -11.134 -8.194 199 HG3 GLU 23 1HG GLU 23 -5.057 -11.830 -8.496 200 H LEU 24 H LEU 24 -6.392 -7.532 -6.728 201 HA LEU 24 HA LEU 24 -8.708 -7.776 -8.339 202 HB2 LEU 24 2HB LEU 24 -7.919 -5.661 -6.305 203 HB3 LEU 24 1HB LEU 24 -9.519 -5.787 -7.022 204 HG LEU 24 HG LEU 24 -8.220 -7.885 -5.249 205 HD11 LEU 24 1HD1 LEU 24 -9.912 -7.208 -3.575 206 HD12 LEU 24 2HD1 LEU 24 -10.379 -5.859 -4.622 207 HD13 LEU 24 3HD1 LEU 24 -8.749 -5.937 -3.949 208 HD21 LEU 24 1HD2 LEU 24 -9.736 -8.927 -6.849 209 HD22 LEU 24 2HD2 LEU 24 -11.026 -7.811 -6.393 210 HD23 LEU 24 3HD2 LEU 24 -10.411 -8.983 -5.224 211 H ALA 25 H ALA 25 -6.003 -5.477 -8.307 212 HA ALA 25 HA ALA 25 -7.078 -3.536 -10.087 213 HB1 ALA 25 1HB ALA 25 -4.763 -2.747 -10.331 214 HB2 ALA 25 2HB ALA 25 -4.163 -4.225 -9.576 215 HB3 ALA 25 3HB ALA 25 -5.123 -3.083 -8.636 216 H GLN 26 H GLN 26 -5.029 -6.392 -10.526 217 HA GLN 26 HA GLN 26 -4.830 -6.353 -13.352 218 HB2 GLN 26 2HB GLN 26 -4.565 -8.609 -11.322 219 HB3 GLN 26 1HB GLN 26 -4.226 -8.823 -13.039 220 HG2 GLN 26 2HG GLN 26 -2.421 -7.196 -12.940 221 HG3 GLN 26 1HG GLN 26 -2.818 -6.808 -11.267 222 HE21 GLN 26 1HE2 GLN 26 -0.645 -7.275 -10.737 223 HE22 GLN 26 2HE2 GLN 26 -0.090 -8.902 -10.566 224 H ARG 27 H ARG 27 -7.277 -7.675 -11.163 225 HA ARG 27 HA ARG 27 -8.810 -9.087 -13.147 226 HB2 ARG 27 2HB ARG 27 -9.511 -8.104 -10.348 227 HB3 ARG 27 1HB ARG 27 -10.620 -9.049 -11.336 228 HG2 ARG 27 2HG ARG 27 -9.117 -10.958 -11.290 229 HG3 ARG 27 1HG ARG 27 -7.886 -10.025 -10.438 230 HD2 ARG 27 2HD ARG 27 -9.414 -9.786 -8.501 231 HD3 ARG 27 1HD ARG 27 -10.645 -10.718 -9.350 232 HE ARG 27 HE ARG 27 -8.349 -11.712 -7.937 233 HH11 ARG 27 1HH1 ARG 27 -10.653 -12.527 -10.478 234 HH12 ARG 27 2HH1 ARG 27 -10.404 -14.234 -10.311 235 HH21 ARG 27 1HH2 ARG 27 -8.049 -13.942 -7.734 236 HH22 ARG 27 2HH2 ARG 27 -8.927 -15.036 -8.755 237 H GLY 28 H GLY 28 -8.619 -5.770 -12.095 238 HA2 GLY 28 2HA GLY 28 -9.499 -3.895 -13.192 239 HA3 GLY 28 1HA GLY 28 -10.684 -4.904 -14.005 240 H GLU 29 H GLU 29 -10.426 -5.469 -10.664 241 HA GLU 29 HA GLU 29 -13.050 -4.481 -10.050 242 HB2 GLU 29 2HB GLU 29 -10.926 -5.620 -8.176 243 HB3 GLU 29 1HB GLU 29 -12.635 -5.436 -7.810 244 HG2 GLU 29 2HG GLU 29 -11.460 -7.301 -9.890 245 HG3 GLU 29 1HG GLU 29 -12.022 -7.770 -8.287 246 H TRP 30 H TRP 30 -12.556 -2.168 -10.565 247 HA TRP 30 HA TRP 30 -10.671 -0.686 -8.985 248 HB2 TRP 30 2HB TRP 30 -12.974 0.501 -10.584 249 HB3 TRP 30 1HB TRP 30 -11.473 1.294 -10.117 250 HD1 TRP 30 HD1 TRP 30 -12.949 0.240 -13.133 251 HE1 TRP 30 HE1 TRP 30 -11.271 -0.518 -14.912 252 HE3 TRP 30 HE3 TRP 30 -8.820 -0.537 -10.153 253 HZ2 TRP 30 HZ2 TRP 30 -8.608 -1.341 -15.074 254 HZ3 TRP 30 HZ3 TRP 30 -6.747 -1.318 -11.231 255 HH2 TRP 30 HH2 TRP 30 -6.648 -1.717 -13.642 256 H ASP 31 H ASP 31 -14.082 -1.486 -8.664 257 HA ASP 31 HA ASP 31 -14.936 0.444 -6.804 258 HB2 ASP 31 2HB ASP 31 -15.858 -2.460 -7.041 259 HB3 ASP 31 1HB ASP 31 -16.691 -1.221 -6.115 260 H LEU 32 H LEU 32 -13.608 -2.820 -6.259 261 HA LEU 32 HA LEU 32 -13.515 -2.748 -3.450 262 HB2 LEU 32 2HB LEU 32 -12.007 -4.376 -5.511 263 HB3 LEU 32 1HB LEU 32 -11.761 -4.616 -3.787 264 HG LEU 32 HG LEU 32 -14.435 -4.943 -5.206 265 HD11 LEU 32 1HD1 LEU 32 -12.868 -6.670 -5.920 266 HD12 LEU 32 2HD1 LEU 32 -14.136 -7.350 -4.903 267 HD13 LEU 32 3HD1 LEU 32 -12.520 -7.078 -4.237 268 HD21 LEU 32 1HD2 LEU 32 -15.186 -5.957 -3.092 269 HD22 LEU 32 2HD2 LEU 32 -14.696 -4.281 -2.870 270 HD23 LEU 32 3HD2 LEU 32 -13.624 -5.586 -2.350 271 H LEU 33 H LEU 33 -11.136 -1.708 -5.882 272 HA LEU 33 HA LEU 33 -9.074 -1.055 -4.058 273 HB2 LEU 33 2HB LEU 33 -9.646 -0.351 -6.914 274 HB3 LEU 33 1HB LEU 33 -8.494 0.660 -6.061 275 HG LEU 33 HG LEU 33 -7.079 -1.301 -5.565 276 HD11 LEU 33 1HD1 LEU 33 -7.490 -3.492 -6.558 277 HD12 LEU 33 2HD1 LEU 33 -9.049 -2.936 -7.170 278 HD13 LEU 33 3HD1 LEU 33 -8.769 -3.042 -5.432 279 HD21 LEU 33 1HD2 LEU 33 -7.727 -1.090 -8.512 280 HD22 LEU 33 2HD2 LEU 33 -6.235 -1.721 -7.806 281 HD23 LEU 33 3HD2 LEU 33 -6.654 -0.023 -7.601 282 H LEU 34 H LEU 34 -11.863 0.842 -5.202 283 HA LEU 34 HA LEU 34 -11.138 3.292 -3.906 284 HB2 LEU 34 2HB LEU 34 -13.841 2.258 -4.847 285 HB3 LEU 34 1HB LEU 34 -13.571 3.896 -4.270 286 HG LEU 34 HG LEU 34 -12.261 2.683 -6.740 287 HD11 LEU 34 1HD1 LEU 34 -14.664 2.975 -7.082 288 HD12 LEU 34 2HD1 LEU 34 -13.738 4.109 -8.062 289 HD13 LEU 34 3HD1 LEU 34 -14.547 4.670 -6.595 290 HD21 LEU 34 1HD2 LEU 34 -10.846 4.398 -5.713 291 HD22 LEU 34 2HD2 LEU 34 -12.189 5.545 -5.719 292 HD23 LEU 34 3HD2 LEU 34 -11.507 4.968 -7.243 293 H GLN 35 H GLN 35 -12.994 0.453 -2.926 294 HA GLN 35 HA GLN 35 -14.083 1.536 -0.507 295 HB2 GLN 35 2HB GLN 35 -15.198 -0.338 -1.620 296 HB3 GLN 35 1HB GLN 35 -13.750 -1.329 -1.502 297 HG2 GLN 35 2HG GLN 35 -15.448 -2.031 0.131 298 HG3 GLN 35 1HG GLN 35 -13.994 -1.454 0.937 299 HE21 GLN 35 1HE2 GLN 35 -14.091 0.477 2.139 300 HE22 GLN 35 2HE2 GLN 35 -15.590 1.218 2.572 301 H GLN 36 H GLN 36 -11.437 -0.720 -1.202 302 HA GLN 36 HA GLN 36 -10.487 -0.823 1.519 303 HB2 GLN 36 2HB GLN 36 -9.411 -1.997 -1.064 304 HB3 GLN 36 1HB GLN 36 -8.691 -2.293 0.517 305 HG2 GLN 36 2HG GLN 36 -10.576 -3.532 1.267 306 HG3 GLN 36 1HG GLN 36 -11.590 -2.953 -0.053 307 HE21 GLN 36 1HE2 GLN 36 -9.705 -3.395 -2.165 308 HE22 GLN 36 2HE2 GLN 36 -9.548 -5.099 -2.367 309 H GLU 37 H GLU 37 -9.934 1.307 -1.146 310 HA GLU 37 HA GLU 37 -7.417 2.309 -0.948 311 HB2 GLU 37 2HB GLU 37 -9.106 3.357 -2.382 312 HB3 GLU 37 1HB GLU 37 -10.014 3.903 -0.979 313 HG2 GLU 37 2HG GLU 37 -7.746 5.198 -0.425 314 HG3 GLU 37 1HG GLU 37 -7.470 5.015 -2.158 315 H VAL 38 H VAL 38 -10.093 3.491 1.109 316 HA VAL 38 HA VAL 38 -8.555 5.093 2.791 317 HB VAL 38 HB VAL 38 -10.952 5.452 2.619 318 HG11 VAL 38 1HG1 VAL 38 -11.716 3.147 2.292 319 HG12 VAL 38 2HG1 VAL 38 -12.638 3.938 3.572 320 HG13 VAL 38 3HG1 VAL 38 -11.375 2.775 3.984 321 HG21 VAL 38 1HG2 VAL 38 -10.261 4.662 5.477 322 HG22 VAL 38 2HG2 VAL 38 -11.567 5.747 4.993 323 HG23 VAL 38 3HG2 VAL 38 -9.888 6.209 4.713 324 H SER 39 H SER 39 -9.552 1.687 3.160 325 HA SER 39 HA SER 39 -8.742 1.265 5.817 326 HB2 SER 39 2HB SER 39 -8.862 -0.745 3.521 327 HB3 SER 39 1HB SER 39 -8.872 -1.137 5.246 328 HG SER 39 HG SER 39 -10.816 0.190 5.354 329 H TYR 40 H TYR 40 -7.004 0.841 2.753 330 HA TYR 40 HA TYR 40 -4.643 -0.356 3.780 331 HB2 TYR 40 2HB TYR 40 -5.407 -0.584 1.418 332 HB3 TYR 40 1HB TYR 40 -5.109 1.130 1.157 333 HD1 TYR 40 HD1 TYR 40 -3.079 1.659 0.040 334 HD2 TYR 40 HD2 TYR 40 -3.245 -1.894 2.389 335 HE1 TYR 40 HE1 TYR 40 -0.804 1.077 -0.670 336 HE2 TYR 40 HE2 TYR 40 -0.974 -2.466 1.681 337 HH TYR 40 HH TYR 40 1.056 -0.250 -0.021 338 H LEU 41 H LEU 41 -5.527 2.961 2.865 339 HA LEU 41 HA LEU 41 -2.961 4.111 3.257 340 HB2 LEU 41 2HB LEU 41 -5.684 5.469 3.218 341 HB3 LEU 41 1HB LEU 41 -4.138 6.301 3.124 342 HG LEU 41 HG LEU 41 -5.377 4.474 1.038 343 HD11 LEU 41 1HD1 LEU 41 -4.628 7.400 0.901 344 HD12 LEU 41 2HD1 LEU 41 -6.258 6.731 1.020 345 HD13 LEU 41 3HD1 LEU 41 -5.290 6.432 -0.422 346 HD21 LEU 41 1HD2 LEU 41 -3.373 4.830 -0.358 347 HD22 LEU 41 2HD2 LEU 41 -3.011 3.926 1.107 348 HD23 LEU 41 3HD2 LEU 41 -2.572 5.633 0.997 349 H GLN 42 H GLN 42 -5.820 3.776 5.364 350 HA GLN 42 HA GLN 42 -4.802 5.326 7.539 351 HB2 GLN 42 2HB GLN 42 -6.963 3.175 7.511 352 HB3 GLN 42 1HB GLN 42 -6.585 4.164 8.918 353 HG2 GLN 42 2HG GLN 42 -7.628 5.165 6.255 354 HG3 GLN 42 1HG GLN 42 -8.556 5.020 7.742 355 HE21 GLN 42 1HE2 GLN 42 -8.052 7.376 6.067 356 HE22 GLN 42 2HE2 GLN 42 -7.320 8.552 7.097 357 H SER 43 H SER 43 -4.631 1.867 6.720 358 HA SER 43 HA SER 43 -3.272 0.947 9.008 359 HB2 SER 43 2HB SER 43 -3.175 -0.075 6.141 360 HB3 SER 43 1HB SER 43 -2.490 -0.934 7.522 361 HG SER 43 HG SER 43 -5.199 -0.328 7.003 362 H ILE 44 H ILE 44 -2.080 2.377 5.994 363 HA ILE 44 HA ILE 44 0.703 2.198 6.408 364 HB ILE 44 HB ILE 44 -1.076 4.009 4.748 365 HG12 ILE 44 2HG1 ILE 44 1.014 1.944 3.925 366 HG13 ILE 44 1HG1 ILE 44 -0.712 1.638 4.043 367 HG21 ILE 44 1HG2 ILE 44 1.940 4.291 4.849 368 HG22 ILE 44 2HG2 ILE 44 0.749 5.502 5.326 369 HG23 ILE 44 3HG2 ILE 44 0.891 5.027 3.635 370 HD11 ILE 44 1HD1 ILE 44 -0.008 1.942 1.747 371 HD12 ILE 44 2HD1 ILE 44 0.608 3.551 2.118 372 HD13 ILE 44 3HD1 ILE 44 -1.124 3.220 2.229 373 H GLU 45 H GLU 45 -1.591 4.812 7.195 374 HA GLU 45 HA GLU 45 0.163 6.656 8.334 375 HB2 GLU 45 2HB GLU 45 -2.798 6.194 8.425 376 HB3 GLU 45 1HB GLU 45 -2.146 7.177 9.725 377 HG2 GLU 45 2HG GLU 45 -2.958 8.588 7.934 378 HG3 GLU 45 1HG GLU 45 -1.219 8.758 8.100 379 H THR 46 H THR 46 -1.771 4.125 9.964 380 HA THR 46 HA THR 46 -0.843 4.816 12.577 381 HB THR 46 HB THR 46 -3.089 3.855 12.220 382 HG1 THR 46 HG1 THR 46 -1.338 3.116 14.107 383 HG21 THR 46 1HG2 THR 46 -2.618 2.199 10.462 384 HG22 THR 46 2HG2 THR 46 -3.396 1.429 11.846 385 HG23 THR 46 3HG2 THR 46 -1.660 1.249 11.598 386 H VAL 47 H VAL 47 0.383 2.565 10.129 387 HA VAL 47 HA VAL 47 2.029 1.123 12.034 388 HB VAL 47 HB VAL 47 1.208 0.171 9.759 389 HG11 VAL 47 1HG1 VAL 47 2.734 0.404 7.833 390 HG12 VAL 47 2HG1 VAL 47 3.672 1.612 8.709 391 HG13 VAL 47 3HG1 VAL 47 2.000 1.953 8.258 392 HG21 VAL 47 1HG2 VAL 47 2.710 -1.041 11.273 393 HG22 VAL 47 2HG2 VAL 47 4.106 -0.217 10.571 394 HG23 VAL 47 3HG2 VAL 47 3.156 -1.332 9.587 395 H MET 48 H MET 48 2.495 3.790 9.717 396 HA MET 48 HA MET 48 5.344 4.006 10.183 397 HB2 MET 48 2HB MET 48 4.246 4.556 7.996 398 HB3 MET 48 1HB MET 48 3.460 5.931 8.755 399 HG2 MET 48 2HG MET 48 5.632 6.988 9.139 400 HG3 MET 48 1HG MET 48 6.456 5.570 8.492 401 HE1 MET 48 1HE MET 48 6.474 4.892 5.922 402 HE2 MET 48 2HE MET 48 5.524 5.725 4.693 403 HE3 MET 48 3HE MET 48 4.711 4.777 5.939 404 H GLU 49 H GLU 49 2.487 5.117 11.689 405 HA GLU 49 HA GLU 49 3.345 7.383 13.104 406 HB2 GLU 49 2HB GLU 49 0.983 6.495 12.905 407 HB3 GLU 49 1HB GLU 49 1.403 5.232 14.054 408 HG2 GLU 49 2HG GLU 49 1.858 6.961 15.766 409 HG3 GLU 49 1HG GLU 49 1.418 8.214 14.606 410 H LYS 50 H LYS 50 3.903 3.932 13.657 411 HA LYS 50 HA LYS 50 5.663 4.527 15.979 412 HB2 LYS 50 2HB LYS 50 3.996 2.037 15.402 413 HB3 LYS 50 1HB LYS 50 5.365 1.990 16.501 414 HG2 LYS 50 2HG LYS 50 3.478 2.223 17.892 415 HG3 LYS 50 1HG LYS 50 4.211 3.827 17.839 416 HD2 LYS 50 2HD LYS 50 2.511 4.420 16.038 417 HD3 LYS 50 1HD LYS 50 1.724 2.874 16.375 418 HE2 LYS 50 2HE LYS 50 2.135 5.126 18.372 419 HE3 LYS 50 1HE LYS 50 0.623 4.734 17.558 420 HZ1 LYS 50 1HZ LYS 50 0.555 3.799 19.706 421 HZ2 LYS 50 2HZ LYS 50 2.070 3.076 19.536 422 HZ3 LYS 50 3HZ LYS 50 0.766 2.519 18.630 423 H GLN 51 H GLN 51 7.681 4.725 15.040 424 HA GLN 51 HA GLN 51 8.658 2.639 13.210 425 HB2 GLN 51 2HB GLN 51 10.750 3.972 13.087 426 HB3 GLN 51 1HB GLN 51 9.341 4.930 12.656 427 HG2 GLN 51 2HG GLN 51 9.386 6.058 14.819 428 HG3 GLN 51 1HG GLN 51 10.698 5.020 15.369 429 HE21 GLN 51 1HE2 GLN 51 12.791 5.475 14.713 430 HE22 GLN 51 2HE2 GLN 51 13.226 6.897 13.835 431 H THR 52 H THR 52 10.052 1.030 13.827 432 HA THR 52 HA THR 52 10.739 0.714 16.649 433 HB THR 52 HB THR 52 11.696 -1.515 15.852 434 HG1 THR 52 HG1 THR 52 12.001 -0.921 13.640 435 HG21 THR 52 1HG2 THR 52 9.421 -1.348 16.816 436 HG22 THR 52 2HG2 THR 52 9.507 -2.585 15.558 437 HG23 THR 52 3HG2 THR 52 8.768 -1.021 15.205 438 HA PRO 53 HA PRO 53 14.882 2.449 16.097 439 HB2 PRO 53 2HB PRO 53 15.619 0.634 18.379 440 HB3 PRO 53 1HB PRO 53 15.788 2.397 18.243 441 HG2 PRO 53 2HG PRO 53 13.912 1.368 19.811 442 HG3 PRO 53 1HG PRO 53 13.557 2.798 18.808 443 HD2 PRO 53 2HD PRO 53 12.836 -0.088 18.290 444 HD3 PRO 53 1HD PRO 53 11.825 1.368 18.124 445 HA PRO 54 HA PRO 54 17.590 -0.194 13.611 446 HB2 PRO 54 2HB PRO 54 19.618 0.630 15.722 447 HB3 PRO 54 1HB PRO 54 19.822 0.523 13.955 448 HG2 PRO 54 2HG PRO 54 19.377 2.889 15.053 449 HG3 PRO 54 1HG PRO 54 18.546 2.443 13.544 450 HD2 PRO 54 2HD PRO 54 17.431 2.633 16.314 451 HD3 PRO 54 1HD PRO 54 16.630 2.902 14.751 452 H GLY 55 H GLY 55 18.097 -0.601 17.134 453 HA2 GLY 55 2HA GLY 55 18.961 -3.361 16.891 454 HA3 GLY 55 1HA GLY 55 18.728 -2.451 18.374 455 H ILE 56 H ILE 56 16.538 -3.341 15.705 456 HA ILE 56 HA ILE 56 14.479 -4.284 17.533 457 HB ILE 56 HB ILE 56 13.821 -2.951 15.567 458 HG12 ILE 56 2HG1 ILE 56 12.079 -4.499 14.550 459 HG13 ILE 56 1HG1 ILE 56 12.833 -5.830 15.423 460 HG21 ILE 56 1HG2 ILE 56 14.931 -5.161 13.822 461 HG22 ILE 56 2HG2 ILE 56 15.607 -3.542 14.010 462 HG23 ILE 56 3HG2 ILE 56 14.024 -3.754 13.258 463 HD11 ILE 56 1HD1 ILE 56 11.660 -3.384 16.739 464 HD12 ILE 56 2HD1 ILE 56 12.233 -4.858 17.530 465 HD13 ILE 56 3HD1 ILE 56 10.805 -4.905 16.490 466 H THR 57 H THR 57 13.979 -6.431 17.896 467 HA THR 57 HA THR 57 16.004 -8.380 17.629 468 HB THR 57 HB THR 57 14.473 -8.496 19.500 469 HG1 THR 57 HG1 THR 57 15.187 -10.510 19.109 470 HG21 THR 57 1HG2 THR 57 12.440 -7.605 18.463 471 HG22 THR 57 2HG2 THR 57 12.106 -9.146 19.259 472 HG23 THR 57 3HG2 THR 57 12.269 -9.075 17.503 473 H ARG 58 H ARG 58 16.007 -10.406 16.504 474 HA ARG 58 HA ARG 58 15.760 -10.071 13.742 475 HB2 ARG 58 2HB ARG 58 16.167 -12.633 15.336 476 HB3 ARG 58 1HB ARG 58 16.328 -12.534 13.584 477 HG2 ARG 58 2HG ARG 58 18.178 -10.869 13.907 478 HG3 ARG 58 1HG ARG 58 18.066 -11.140 15.649 479 HD2 ARG 58 2HD ARG 58 18.612 -13.525 15.316 480 HD3 ARG 58 1HD ARG 58 18.687 -13.271 13.570 481 HE ARG 58 HE ARG 58 20.483 -11.500 14.744 482 HH11 ARG 58 1HH1 ARG 58 20.138 -14.993 14.461 483 HH12 ARG 58 2HH1 ARG 58 21.845 -15.282 14.549 484 HH21 ARG 58 1HH2 ARG 58 22.714 -11.909 14.875 485 HH22 ARG 58 2HH2 ARG 58 23.301 -13.539 14.783 486 H SER 59 H SER 59 13.543 -11.602 16.026 487 HA SER 59 HA SER 59 11.979 -13.097 14.210 488 HB2 SER 59 2HB SER 59 11.163 -11.897 16.890 489 HB3 SER 59 1HB SER 59 10.310 -13.190 16.042 490 HG SER 59 HG SER 59 12.005 -13.660 17.784 491 H ILE 60 H ILE 60 11.288 -9.923 15.725 492 HA ILE 60 HA ILE 60 8.992 -9.256 14.234 493 HB ILE 60 HB ILE 60 11.011 -7.337 15.503 494 HG12 ILE 60 2HG1 ILE 60 8.424 -8.463 16.668 495 HG13 ILE 60 1HG1 ILE 60 10.049 -8.934 17.147 496 HG21 ILE 60 1HG2 ILE 60 8.131 -6.793 14.664 497 HG22 ILE 60 2HG2 ILE 60 9.572 -6.171 13.862 498 HG23 ILE 60 3HG2 ILE 60 9.190 -5.655 15.503 499 HD11 ILE 60 1HD1 ILE 60 8.816 -6.202 17.523 500 HD12 ILE 60 2HD1 ILE 60 10.453 -6.668 17.995 501 HD13 ILE 60 3HD1 ILE 60 9.062 -7.430 18.764 502 H GLN 61 H GLN 61 12.420 -8.381 13.824 503 HA GLN 61 HA GLN 61 12.249 -6.722 11.600 504 HB2 GLN 61 2HB GLN 61 14.252 -6.920 13.033 505 HB3 GLN 61 1HB GLN 61 14.541 -8.550 12.433 506 HG2 GLN 61 2HG GLN 61 14.938 -7.628 10.161 507 HG3 GLN 61 1HG GLN 61 14.667 -6.002 10.782 508 HE21 GLN 61 1HE2 GLN 61 16.258 -5.043 12.102 509 HE22 GLN 61 2HE2 GLN 61 17.851 -5.691 12.230 510 H ASP 62 H ASP 62 12.550 -10.269 11.747 511 HA ASP 62 HA ASP 62 12.939 -10.745 8.967 512 HB2 ASP 62 2HB ASP 62 13.600 -12.536 10.375 513 HB3 ASP 62 1HB ASP 62 12.107 -12.483 11.300 514 H MET 63 H MET 63 10.017 -11.149 11.034 515 HA MET 63 HA MET 63 8.290 -11.939 8.939 516 HB2 MET 63 2HB MET 63 7.635 -10.705 11.643 517 HB3 MET 63 1HB MET 63 6.428 -11.392 10.560 518 HG2 MET 63 2HG MET 63 7.496 -13.589 10.743 519 HG3 MET 63 1HG MET 63 8.731 -12.912 11.809 520 HE1 MET 63 1HE MET 63 8.219 -11.985 14.271 521 HE2 MET 63 2HE MET 63 6.603 -11.940 14.975 522 HE3 MET 63 3HE MET 63 7.003 -10.883 13.622 523 H VAL 64 H VAL 64 8.747 -8.798 10.501 524 HA VAL 64 HA VAL 64 6.937 -7.265 9.021 525 HB VAL 64 HB VAL 64 9.407 -6.551 10.635 526 HG11 VAL 64 1HG1 VAL 64 7.613 -4.547 9.228 527 HG12 VAL 64 2HG1 VAL 64 9.322 -4.830 8.896 528 HG13 VAL 64 3HG1 VAL 64 8.829 -4.144 10.443 529 HG21 VAL 64 1HG2 VAL 64 7.748 -5.595 12.201 530 HG22 VAL 64 2HG2 VAL 64 7.392 -7.289 11.861 531 HG23 VAL 64 3HG2 VAL 64 6.446 -6.018 11.084 532 H ALA 65 H ALA 65 10.437 -7.921 8.422 533 HA ALA 65 HA ALA 65 10.669 -6.293 6.108 534 HB1 ALA 65 1HB ALA 65 12.662 -7.103 7.288 535 HB2 ALA 65 2HB ALA 65 12.711 -7.568 5.586 536 HB3 ALA 65 3HB ALA 65 12.284 -8.763 6.816 537 H GLY 66 H GLY 66 9.593 -9.635 6.589 538 HA2 GLY 66 2HA GLY 66 9.316 -10.472 3.914 539 HA3 GLY 66 1HA GLY 66 8.347 -11.036 5.265 540 H TYR 67 H TYR 67 7.076 -8.792 6.082 541 HA TYR 67 HA TYR 67 4.910 -8.515 4.249 542 HB2 TYR 67 2HB TYR 67 5.515 -6.909 6.769 543 HB3 TYR 67 1HB TYR 67 3.961 -6.991 5.946 544 HD1 TYR 67 HD1 TYR 67 4.933 -7.744 8.918 545 HD2 TYR 67 HD2 TYR 67 3.862 -10.007 5.445 546 HE1 TYR 67 HE1 TYR 67 4.261 -9.621 10.351 547 HE2 TYR 67 HE2 TYR 67 3.197 -11.884 6.880 548 HH TYR 67 HH TYR 67 3.715 -12.732 9.157 549 H ILE 68 H ILE 68 7.727 -6.556 4.996 550 HA ILE 68 HA ILE 68 6.874 -4.082 3.855 551 HB ILE 68 HB ILE 68 9.549 -5.167 4.792 552 HG12 ILE 68 2HG1 ILE 68 7.870 -2.766 5.642 553 HG13 ILE 68 1HG1 ILE 68 8.004 -4.291 6.502 554 HG21 ILE 68 1HG2 ILE 68 10.682 -3.026 4.226 555 HG22 ILE 68 2HG2 ILE 68 9.253 -2.535 3.318 556 HG23 ILE 68 3HG2 ILE 68 10.191 -3.933 2.794 557 HD11 ILE 68 1HD1 ILE 68 10.213 -2.264 6.124 558 HD12 ILE 68 2HD1 ILE 68 10.365 -3.804 6.975 559 HD13 ILE 68 3HD1 ILE 68 9.287 -2.554 7.596 560 H LYS 69 H LYS 69 9.164 -6.603 2.720 561 HA LYS 69 HA LYS 69 9.553 -5.521 0.135 562 HB2 LYS 69 2HB LYS 69 10.102 -8.261 1.311 563 HB3 LYS 69 1HB LYS 69 10.288 -7.999 -0.418 564 HG2 LYS 69 2HG LYS 69 12.448 -7.785 0.577 565 HG3 LYS 69 1HG LYS 69 11.928 -6.173 0.080 566 HD2 LYS 69 2HD LYS 69 11.310 -5.662 2.431 567 HD3 LYS 69 1HD LYS 69 11.828 -7.280 2.912 568 HE2 LYS 69 2HE LYS 69 13.620 -5.130 1.737 569 HE3 LYS 69 1HE LYS 69 13.538 -5.590 3.439 570 HZ1 LYS 69 1HZ LYS 69 14.326 -7.794 2.851 571 HZ2 LYS 69 2HZ LYS 69 15.412 -6.616 2.315 572 HZ3 LYS 69 3HZ LYS 69 14.379 -7.371 1.214 573 H GLN 70 H GLN 70 7.221 -7.847 1.448 574 HA GLN 70 HA GLN 70 6.009 -8.645 -0.961 575 HB2 GLN 70 2HB GLN 70 5.606 -9.821 1.167 576 HB3 GLN 70 1HB GLN 70 4.756 -8.419 1.809 577 HG2 GLN 70 2HG GLN 70 2.944 -8.708 0.232 578 HG3 GLN 70 1HG GLN 70 3.831 -9.959 -0.638 579 HE21 GLN 70 1HE2 GLN 70 2.175 -11.462 -0.370 580 HE22 GLN 70 2HE2 GLN 70 1.810 -12.180 1.157 581 H THR 71 H THR 71 5.067 -6.011 1.320 582 HA THR 71 HA THR 71 2.776 -5.299 -0.205 583 HB THR 71 HB THR 71 2.959 -4.873 2.275 584 HG1 THR 71 HG1 THR 71 2.302 -2.598 0.667 585 HG21 THR 71 1HG2 THR 71 5.204 -3.788 2.385 586 HG22 THR 71 2HG2 THR 71 3.940 -2.763 3.075 587 HG23 THR 71 3HG2 THR 71 4.574 -2.413 1.465 588 H LEU 72 H LEU 72 6.076 -4.012 -0.054 589 HA LEU 72 HA LEU 72 5.614 -1.750 -1.721 590 HB2 LEU 72 2HB LEU 72 8.162 -3.205 -0.942 591 HB3 LEU 72 1HB LEU 72 8.169 -1.783 -1.975 592 HG LEU 72 HG LEU 72 7.129 -1.839 0.888 593 HD11 LEU 72 1HD1 LEU 72 9.119 -0.523 1.467 594 HD12 LEU 72 2HD1 LEU 72 9.724 -0.693 -0.182 595 HD13 LEU 72 3HD1 LEU 72 9.555 -2.115 0.849 596 HD21 LEU 72 1HD2 LEU 72 5.958 -0.182 -0.485 597 HD22 LEU 72 2HD2 LEU 72 7.499 0.496 -1.021 598 HD23 LEU 72 3HD2 LEU 72 7.021 0.612 0.673 599 H ASP 73 H ASP 73 6.637 -5.120 -2.397 600 HA ASP 73 HA ASP 73 7.120 -4.798 -5.181 601 HB2 ASP 73 2HB ASP 73 7.841 -6.818 -3.927 602 HB3 ASP 73 1HB ASP 73 6.164 -7.267 -3.649 603 H ASN 74 H ASN 74 4.210 -5.679 -3.337 604 HA ASN 74 HA ASN 74 2.423 -6.086 -5.501 605 HB2 ASN 74 2HB ASN 74 1.843 -5.332 -2.602 606 HB3 ASN 74 1HB ASN 74 0.617 -5.848 -3.760 607 HD21 ASN 74 1HD2 ASN 74 1.305 -7.041 -1.223 608 HD22 ASN 74 2HD2 ASN 74 1.779 -8.671 -1.564 609 H GLU 75 H GLU 75 3.244 -3.277 -3.536 610 HA GLU 75 HA GLU 75 1.266 -1.532 -4.704 611 HB2 GLU 75 2HB GLU 75 2.025 -1.309 -2.326 612 HB3 GLU 75 1HB GLU 75 3.615 -0.821 -2.905 613 HG2 GLU 75 2HG GLU 75 2.505 1.133 -4.069 614 HG3 GLU 75 1HG GLU 75 0.995 0.661 -3.291 615 H GLN 76 H GLN 76 4.560 -2.421 -5.384 616 HA GLN 76 HA GLN 76 5.284 -0.242 -7.089 617 HB2 GLN 76 2HB GLN 76 6.926 -1.893 -6.149 618 HB3 GLN 76 1HB GLN 76 6.219 -3.148 -7.157 619 HG2 GLN 76 2HG GLN 76 6.886 -1.738 -9.173 620 HG3 GLN 76 1HG GLN 76 7.786 -0.716 -8.050 621 HE21 GLN 76 1HE2 GLN 76 7.606 -3.847 -9.565 622 HE22 GLN 76 2HE2 GLN 76 9.201 -4.365 -9.150 623 H LEU 77 H LEU 77 3.890 -3.451 -7.587 624 HA LEU 77 HA LEU 77 3.415 -3.226 -10.385 625 HB2 LEU 77 2HB LEU 77 2.373 -5.062 -8.217 626 HB3 LEU 77 1HB LEU 77 1.871 -5.231 -9.890 627 HG LEU 77 HG LEU 77 4.795 -5.370 -9.064 628 HD11 LEU 77 1HD1 LEU 77 4.622 -7.816 -9.108 629 HD12 LEU 77 2HD1 LEU 77 2.876 -7.702 -9.351 630 HD13 LEU 77 3HD1 LEU 77 3.600 -7.128 -7.847 631 HD21 LEU 77 1HD2 LEU 77 5.080 -6.499 -11.223 632 HD22 LEU 77 2HD2 LEU 77 4.358 -4.907 -11.448 633 HD23 LEU 77 3HD2 LEU 77 3.346 -6.356 -11.549 634 H LEU 78 H LEU 78 1.416 -2.567 -7.493 635 HA LEU 78 HA LEU 78 -1.001 -1.823 -8.746 636 HB2 LEU 78 2HB LEU 78 0.270 -1.110 -6.100 637 HB3 LEU 78 1HB LEU 78 -1.158 -0.227 -6.601 638 HG LEU 78 HG LEU 78 -1.092 -3.256 -6.311 639 HD11 LEU 78 1HD1 LEU 78 -2.127 -1.221 -4.311 640 HD12 LEU 78 2HD1 LEU 78 -0.685 -2.221 -4.116 641 HD13 LEU 78 3HD1 LEU 78 -2.275 -2.981 -4.191 642 HD21 LEU 78 1HD2 LEU 78 -2.812 -2.426 -7.840 643 HD22 LEU 78 2HD2 LEU 78 -3.393 -1.298 -6.612 644 HD23 LEU 78 3HD2 LEU 78 -3.542 -3.037 -6.360 645 H LYS 79 H LYS 79 1.879 0.057 -7.917 646 HA LYS 79 HA LYS 79 0.939 2.613 -8.616 647 HB2 LYS 79 2HB LYS 79 2.953 2.198 -7.203 648 HB3 LYS 79 1HB LYS 79 3.806 1.583 -8.615 649 HG2 LYS 79 2HG LYS 79 3.639 3.820 -9.680 650 HG3 LYS 79 1HG LYS 79 2.793 4.427 -8.256 651 HD2 LYS 79 2HD LYS 79 5.641 3.353 -8.290 652 HD3 LYS 79 1HD LYS 79 5.195 5.058 -8.277 653 HE2 LYS 79 2HE LYS 79 4.117 4.745 -6.056 654 HE3 LYS 79 1HE LYS 79 4.603 3.046 -6.074 655 HZ1 LYS 79 1HZ LYS 79 6.137 4.385 -4.789 656 HZ2 LYS 79 2HZ LYS 79 6.454 5.370 -6.120 657 HZ3 LYS 79 3HZ LYS 79 6.916 3.749 -6.144 658 H GLY 80 H GLY 80 2.889 0.223 -10.417 659 HA2 GLY 80 2HA GLY 80 3.263 1.677 -12.801 660 HA3 GLY 80 1HA GLY 80 3.383 -0.065 -12.627 661 H LEU 81 H LEU 81 0.876 -0.835 -11.960 662 HA LEU 81 HA LEU 81 -0.455 -0.929 -14.437 663 HB2 LEU 81 2HB LEU 81 -0.540 -2.718 -12.734 664 HB3 LEU 81 1HB LEU 81 -1.462 -1.686 -11.664 665 HG LEU 81 HG LEU 81 -2.624 -2.378 -14.384 666 HD11 LEU 81 1HD1 LEU 81 -2.776 -4.227 -11.987 667 HD12 LEU 81 2HD1 LEU 81 -1.917 -4.546 -13.497 668 HD13 LEU 81 3HD1 LEU 81 -3.674 -4.403 -13.499 669 HD21 LEU 81 1HD2 LEU 81 -3.850 -0.744 -13.037 670 HD22 LEU 81 2HD2 LEU 81 -3.910 -1.864 -11.679 671 HD23 LEU 81 3HD2 LEU 81 -4.785 -2.232 -13.168 672 H LEU 82 H LEU 82 -1.483 0.620 -11.374 673 HA LEU 82 HA LEU 82 -3.866 1.727 -12.399 674 HB2 LEU 82 2HB LEU 82 -2.266 2.273 -9.894 675 HB3 LEU 82 1HB LEU 82 -3.770 3.121 -10.223 676 HG LEU 82 HG LEU 82 -3.656 0.082 -10.152 677 HD11 LEU 82 1HD1 LEU 82 -4.251 1.896 -7.807 678 HD12 LEU 82 2HD1 LEU 82 -2.822 0.874 -7.992 679 HD13 LEU 82 3HD1 LEU 82 -4.417 0.137 -7.842 680 HD21 LEU 82 1HD2 LEU 82 -6.058 0.289 -9.756 681 HD22 LEU 82 2HD2 LEU 82 -5.605 1.104 -11.248 682 HD23 LEU 82 3HD2 LEU 82 -5.938 2.050 -9.792 683 H GLN 83 H GLN 83 -0.604 3.117 -12.103 684 HA GLN 83 HA GLN 83 -1.336 5.777 -12.831 685 HB2 GLN 83 2HB GLN 83 0.824 5.187 -11.702 686 HB3 GLN 83 1HB GLN 83 1.364 4.393 -13.168 687 HG2 GLN 83 2HG GLN 83 0.649 7.330 -13.145 688 HG3 GLN 83 1HG GLN 83 2.241 6.779 -12.646 689 HE21 GLN 83 1HE2 GLN 83 2.345 4.632 -14.689 690 HE22 GLN 83 2HE2 GLN 83 2.606 5.443 -16.190 691 H GLN 84 H GLN 84 -0.112 2.966 -14.672 692 HA GLN 84 HA GLN 84 -0.166 4.085 -17.259 693 HB2 GLN 84 2HB GLN 84 1.012 1.988 -16.851 694 HB3 GLN 84 1HB GLN 84 -0.475 1.193 -16.346 695 HG2 GLN 84 2HG GLN 84 -1.354 1.302 -18.631 696 HG3 GLN 84 1HG GLN 84 0.056 2.218 -19.154 697 HE21 GLN 84 1HE2 GLN 84 -1.112 -0.943 -18.195 698 HE22 GLN 84 2HE2 GLN 84 0.243 -1.831 -18.789 699 H ARG 85 H ARG 85 -2.690 2.647 -15.271 700 HA ARG 85 HA ARG 85 -4.581 2.243 -17.400 701 HB2 ARG 85 2HB ARG 85 -4.504 1.642 -14.478 702 HB3 ARG 85 1HB ARG 85 -6.109 1.999 -15.093 703 HG2 ARG 85 2HG ARG 85 -5.596 -0.436 -15.078 704 HG3 ARG 85 1HG ARG 85 -5.991 0.183 -16.682 705 HD2 ARG 85 2HD ARG 85 -3.611 0.206 -17.291 706 HD3 ARG 85 1HD ARG 85 -3.175 -0.324 -15.667 707 HE ARG 85 HE ARG 85 -4.478 -2.400 -16.188 708 HH11 ARG 85 1HH1 ARG 85 -3.030 -0.547 -18.825 709 HH12 ARG 85 2HH1 ARG 85 -2.889 -1.929 -19.862 710 HH21 ARG 85 1HH2 ARG 85 -4.243 -4.186 -17.543 711 HH22 ARG 85 2HH2 ARG 85 -3.578 -3.992 -19.134 712 H LEU 86 H LEU 86 -4.250 4.628 -14.745 713 HA LEU 86 HA LEU 86 -6.591 6.103 -15.411 714 HB2 LEU 86 2HB LEU 86 -4.102 6.898 -13.867 715 HB3 LEU 86 1HB LEU 86 -5.504 7.948 -14.027 716 HG LEU 86 HG LEU 86 -5.531 5.204 -12.703 717 HD11 LEU 86 1HD1 LEU 86 -5.598 7.926 -11.381 718 HD12 LEU 86 2HD1 LEU 86 -4.221 6.822 -11.410 719 HD13 LEU 86 3HD1 LEU 86 -5.697 6.354 -10.580 720 HD21 LEU 86 1HD2 LEU 86 -7.784 5.822 -11.914 721 HD22 LEU 86 2HD2 LEU 86 -7.710 5.740 -13.669 722 HD23 LEU 86 3HD2 LEU 86 -7.719 7.311 -12.863 723 H ASP 87 H ASP 87 -3.183 6.395 -16.335 724 HA ASP 87 HA ASP 87 -3.329 8.692 -17.966 725 HB2 ASP 87 2HB ASP 87 -1.172 7.854 -17.238 726 HB3 ASP 87 1HB ASP 87 -1.462 6.284 -17.975 727 H GLU 88 H GLU 88 -3.742 5.246 -18.702 728 HA GLU 88 HA GLU 88 -4.034 5.408 -21.502 729 HB2 GLU 88 2HB GLU 88 -3.509 3.335 -20.149 730 HB3 GLU 88 1HB GLU 88 -5.187 3.311 -19.623 731 HG2 GLU 88 2HG GLU 88 -5.930 2.962 -21.932 732 HG3 GLU 88 1HG GLU 88 -4.262 3.058 -22.501 733 H LEU 89 H LEU 89 -6.492 4.947 -18.964 734 HA LEU 89 HA LEU 89 -8.827 5.185 -20.417 735 HB2 LEU 89 2HB LEU 89 -8.266 5.920 -17.519 736 HB3 LEU 89 1HB LEU 89 -9.886 5.903 -18.199 737 HG LEU 89 HG LEU 89 -8.071 3.460 -18.023 738 HD11 LEU 89 1HD1 LEU 89 -10.399 4.222 -16.233 739 HD12 LEU 89 2HD1 LEU 89 -8.691 4.186 -15.778 740 HD13 LEU 89 3HD1 LEU 89 -9.521 2.688 -16.194 741 HD21 LEU 89 1HD2 LEU 89 -11.004 3.676 -18.769 742 HD22 LEU 89 2HD2 LEU 89 -10.084 2.179 -18.597 743 HD23 LEU 89 3HD2 LEU 89 -9.670 3.320 -19.872 744 H SER 90 H SER 90 -6.879 7.790 -18.914 745 HA SER 90 HA SER 90 -8.735 9.883 -19.489 746 HB2 SER 90 2HB SER 90 -6.959 11.440 -18.841 747 HB3 SER 90 1HB SER 90 -7.005 10.095 -17.705 748 HG SER 90 HG SER 90 -5.161 9.302 -18.550 749 H SER 91 H SER 91 -6.076 8.406 -21.272 750 HA SER 91 HA SER 91 -6.165 10.273 -23.474 751 HB2 SER 91 2HB SER 91 -4.859 7.535 -23.217 752 HB3 SER 91 1HB SER 91 -4.601 8.656 -24.558 753 HG SER 91 HG SER 91 -4.131 9.359 -21.850 754 H LEU 92 H LEU 92 -7.874 7.302 -22.651 755 HA LEU 92 HA LEU 92 -8.851 6.685 -25.295 756 HB2 LEU 92 2HB LEU 92 -9.970 5.807 -22.595 757 HB3 LEU 92 1HB LEU 92 -10.419 5.125 -24.149 758 HG LEU 92 HG LEU 92 -7.737 4.871 -22.758 759 HD11 LEU 92 1HD1 LEU 92 -9.411 3.423 -21.795 760 HD12 LEU 92 2HD1 LEU 92 -8.210 2.476 -22.668 761 HD13 LEU 92 3HD1 LEU 92 -9.801 2.757 -23.385 762 HD21 LEU 92 1HD2 LEU 92 -8.484 3.835 -25.504 763 HD22 LEU 92 2HD2 LEU 92 -7.007 3.445 -24.615 764 HD23 LEU 92 3HD2 LEU 92 -7.310 5.100 -25.128 765 H ILE 93 H ILE 93 -10.098 8.335 -22.464 766 HA ILE 93 HA ILE 93 -12.713 8.941 -23.560 767 HB ILE 93 HB ILE 93 -11.331 9.797 -20.968 768 HG12 ILE 93 2HG1 ILE 93 -13.502 7.679 -21.301 769 HG13 ILE 93 1HG1 ILE 93 -11.785 7.299 -21.294 770 HG21 ILE 93 1HG2 ILE 93 -14.259 10.094 -21.709 771 HG22 ILE 93 2HG2 ILE 93 -13.095 11.407 -21.546 772 HG23 ILE 93 3HG2 ILE 93 -13.558 10.461 -20.131 773 HD11 ILE 93 1HD1 ILE 93 -13.338 8.518 -19.016 774 HD12 ILE 93 2HD1 ILE 93 -11.604 8.188 -19.019 775 HD13 ILE 93 3HD1 ILE 93 -12.754 6.859 -19.137 776 H GLY 94 H GLY 94 -9.847 10.788 -22.490 777 HA2 GLY 94 2HA GLY 94 -10.815 13.265 -23.736 778 HA3 GLY 94 1HA GLY 94 -9.471 13.089 -22.617 779 H GLN 95 H GLN 95 -8.518 14.521 -24.278 780 HA GLN 95 HA GLN 95 -7.811 13.378 -26.857 781 HB2 GLN 95 2HB GLN 95 -7.111 16.106 -25.666 782 HB3 GLN 95 1HB GLN 95 -6.866 15.610 -27.340 783 HG2 GLN 95 2HG GLN 95 -9.552 15.912 -25.962 784 HG3 GLN 95 1HG GLN 95 -8.835 17.076 -27.072 785 HE21 GLN 95 1HE2 GLN 95 -7.840 15.006 -28.948 786 HE22 GLN 95 2HE2 GLN 95 -9.244 14.413 -29.762 787 H VAL 96 H VAL 96 -5.995 12.312 -27.131 788 HA VAL 96 HA VAL 96 -4.101 11.786 -25.089 789 HB VAL 96 HB VAL 96 -3.658 11.277 -28.072 790 HG11 VAL 96 1HG1 VAL 96 -1.654 10.959 -26.671 791 HG12 VAL 96 2HG1 VAL 96 -2.226 9.409 -27.290 792 HG13 VAL 96 3HG1 VAL 96 -2.546 9.862 -25.613 793 HG21 VAL 96 1HG2 VAL 96 -5.858 10.361 -27.446 794 HG22 VAL 96 2HG2 VAL 96 -5.130 9.491 -26.094 795 HG23 VAL 96 3HG2 VAL 96 -4.707 9.057 -27.752 796 H LEU 97 H LEU 97 -2.894 13.452 -24.345 797 HA LEU 97 HA LEU 97 -1.718 15.480 -26.084 798 HB2 LEU 97 2HB LEU 97 -1.106 16.639 -24.128 799 HB3 LEU 97 1HB LEU 97 -2.626 15.888 -23.690 800 HG LEU 97 HG LEU 97 0.100 14.795 -22.875 801 HD11 LEU 97 1HD1 LEU 97 -1.771 16.461 -21.188 802 HD12 LEU 97 2HD1 LEU 97 -0.237 16.996 -21.876 803 HD13 LEU 97 3HD1 LEU 97 -0.256 15.717 -20.665 804 HD21 LEU 97 1HD2 LEU 97 -1.661 13.074 -22.882 805 HD22 LEU 97 2HD2 LEU 97 -2.645 14.070 -21.809 806 HD23 LEU 97 3HD2 LEU 97 -1.101 13.423 -21.247 807 H PHE 98 H PHE 98 0.779 15.950 -25.114 808 HA PHE 98 HA PHE 98 2.538 13.995 -26.092 809 HB2 PHE 98 2HB PHE 98 4.330 15.327 -24.948 810 HB3 PHE 98 1HB PHE 98 3.236 16.329 -25.886 811 HD1 PHE 98 HD1 PHE 98 4.400 15.511 -22.476 812 HD2 PHE 98 HD2 PHE 98 1.698 17.916 -24.770 813 HE1 PHE 98 HE1 PHE 98 4.000 16.946 -20.520 814 HE2 PHE 98 HE2 PHE 98 1.309 19.337 -22.802 815 HZ PHE 98 HZ PHE 98 2.455 18.853 -20.677 816 H GLN 99 H GLN 99 3.549 12.240 -25.148 817 HA GLN 99 HA GLN 99 2.645 11.302 -22.556 818 HB2 GLN 99 2HB GLN 99 4.586 10.054 -24.549 819 HB3 GLN 99 1HB GLN 99 4.058 9.289 -23.053 820 HG2 GLN 99 2HG GLN 99 1.705 9.354 -23.887 821 HG3 GLN 99 1HG GLN 99 2.294 10.010 -25.416 822 HE21 GLN 99 1HE2 GLN 99 0.868 7.492 -24.866 823 HE22 GLN 99 2HE2 GLN 99 1.879 6.227 -25.469 824 H GLY 100 H GLY 100 3.514 13.119 -21.407 825 HA2 GLY 100 2HA GLY 100 6.424 12.929 -20.757 826 HA3 GLY 100 1HA GLY 100 5.514 14.438 -20.772 827 HA PRO 101 HA PRO 101 4.962 13.487 -16.289 828 HB2 PRO 101 2HB PRO 101 3.471 16.094 -16.497 829 HB3 PRO 101 1HB PRO 101 4.719 15.602 -15.333 830 HG2 PRO 101 2HG PRO 101 5.314 17.332 -17.259 831 HG3 PRO 101 1HG PRO 101 6.477 16.062 -16.806 832 HD2 PRO 101 2HD PRO 101 4.616 16.146 -19.178 833 HD3 PRO 101 1HD PRO 101 6.315 15.631 -19.099 834 H SER 102 H SER 102 3.111 13.006 -15.012 835 HA SER 102 HA SER 102 0.825 11.974 -16.390 836 HB2 SER 102 2HB SER 102 1.329 12.319 -13.391 837 HB3 SER 102 1HB SER 102 0.062 11.323 -14.111 838 HG SER 102 HG SER 102 1.700 10.042 -15.053 839 H ALA 103 H ALA 103 -0.270 13.649 -17.391 840 HA ALA 103 HA ALA 103 -1.217 15.960 -15.840 841 HB1 ALA 103 1HB ALA 103 -0.248 16.405 -18.052 842 HB2 ALA 103 2HB ALA 103 -1.952 16.865 -18.013 843 HB3 ALA 103 3HB ALA 103 -1.458 15.365 -18.806 844 H GLY 104 H GLY 104 -3.282 16.167 -15.163 845 HA2 GLY 104 2HA GLY 104 -5.104 13.929 -15.282 846 HA3 GLY 104 1HA GLY 104 -5.338 15.443 -14.423 847 H LEU 105 H LEU 105 -5.454 13.946 -17.635 848 HA LEU 105 HA LEU 105 -6.923 15.960 -18.987 849 HB2 LEU 105 2HB LEU 105 -7.010 12.950 -19.471 850 HB3 LEU 105 1HB LEU 105 -7.522 14.186 -20.609 851 HG LEU 105 HG LEU 105 -4.666 13.688 -19.678 852 HD11 LEU 105 1HD1 LEU 105 -5.417 11.940 -21.186 853 HD12 LEU 105 2HD1 LEU 105 -4.240 12.968 -21.996 854 HD13 LEU 105 3HD1 LEU 105 -5.958 13.137 -22.367 855 HD21 LEU 105 1HD2 LEU 105 -5.696 15.739 -21.665 856 HD22 LEU 105 2HD2 LEU 105 -3.997 15.369 -21.357 857 HD23 LEU 105 3HD2 LEU 105 -4.988 16.067 -20.080 858 H VAL 106 H VAL 106 -7.904 13.156 -17.064 859 HA VAL 106 HA VAL 106 -10.713 13.804 -17.059 860 HB VAL 106 HB VAL 106 -10.843 12.094 -15.190 861 HG11 VAL 106 1HG1 VAL 106 -9.456 11.160 -17.733 862 HG12 VAL 106 2HG1 VAL 106 -11.192 11.408 -17.524 863 HG13 VAL 106 3HG1 VAL 106 -10.370 10.133 -16.625 864 HG21 VAL 106 1HG2 VAL 106 -7.853 11.766 -15.698 865 HG22 VAL 106 2HG2 VAL 106 -8.843 10.693 -14.707 866 HG23 VAL 106 3HG2 VAL 106 -8.598 12.368 -14.213 867 HA PRO 107 HA PRO 107 -10.332 17.035 -13.897 868 HB2 PRO 107 2HB PRO 107 -13.284 16.824 -13.559 869 HB3 PRO 107 1HB PRO 107 -12.326 18.184 -14.177 870 HG2 PRO 107 2HG PRO 107 -13.899 16.733 -15.809 871 HG3 PRO 107 1HG PRO 107 -12.344 17.402 -16.361 872 HD2 PRO 107 2HD PRO 107 -12.958 14.583 -15.454 873 HD3 PRO 107 1HD PRO 107 -12.039 15.129 -16.878 874 H ARG 108 H ARG 108 -9.831 16.858 -11.789 875 HA ARG 108 HA ARG 108 -10.633 14.614 -10.150 876 HB2 ARG 108 2HB ARG 108 -8.980 17.106 -9.550 877 HB3 ARG 108 1HB ARG 108 -9.333 15.874 -8.342 878 HG2 ARG 108 2HG ARG 108 -8.162 14.186 -9.744 879 HG3 ARG 108 1HG ARG 108 -7.767 15.454 -10.909 880 HD2 ARG 108 2HD ARG 108 -6.482 16.651 -9.170 881 HD3 ARG 108 1HD ARG 108 -6.888 15.392 -8.000 882 HE ARG 108 HE ARG 108 -5.688 13.876 -9.722 883 HH11 ARG 108 1HH1 ARG 108 -4.681 17.159 -8.912 884 HH12 ARG 108 2HH1 ARG 108 -3.017 16.857 -9.276 885 HH21 ARG 108 1HH2 ARG 108 -3.515 13.521 -10.223 886 HH22 ARG 108 2HH2 ARG 108 -2.358 14.793 -10.022 887 H GLY 109 H GLY 109 -12.938 14.972 -10.302 888 HA2 GLY 109 2HA GLY 109 -14.028 17.202 -8.654 889 HA3 GLY 109 1HA GLY 109 -14.892 16.345 -9.924 890 H SER 110 H SER 110 -16.487 16.236 -8.110 891 HA SER 110 HA SER 110 -16.052 13.814 -6.447 892 HB2 SER 110 2HB SER 110 -17.602 16.333 -5.662 893 HB3 SER 110 1HB SER 110 -17.414 14.881 -4.672 894 HG SER 110 HG SER 110 -15.109 15.293 -4.784 895 H GLY 111 H GLY 111 -17.122 12.363 -7.705 896 HA2 GLY 111 2HA GLY 111 -19.908 12.145 -7.579 897 HA3 GLY 111 1HA GLY 111 -19.511 12.816 -9.161 898 H GLY 112 H GLY 112 -19.588 11.220 -10.664 899 HA2 GLY 112 2HA GLY 112 -19.476 8.434 -9.897 900 HA3 GLY 112 1HA GLY 112 -19.766 9.069 -11.511 901 H ILE 113 H ILE 113 -18.034 9.459 -12.904 902 HA ILE 113 HA ILE 113 -15.679 7.855 -12.557 903 HB ILE 113 HB ILE 113 -16.645 8.210 -14.815 904 HG12 ILE 113 2HG1 ILE 113 -13.823 9.350 -14.584 905 HG13 ILE 113 1HG1 ILE 113 -14.239 7.643 -14.633 906 HG21 ILE 113 1HG2 ILE 113 -15.786 11.114 -14.583 907 HG22 ILE 113 2HG2 ILE 113 -17.448 10.528 -14.561 908 HG23 ILE 113 3HG2 ILE 113 -16.471 10.345 -16.019 909 HD11 ILE 113 1HD1 ILE 113 -13.387 8.374 -16.755 910 HD12 ILE 113 2HD1 ILE 113 -14.619 9.630 -16.869 911 HD13 ILE 113 3HD1 ILE 113 -15.082 7.926 -16.916 912 H GLU 114 H GLU 114 -16.526 11.182 -12.066 913 HA GLU 114 HA GLU 114 -13.991 12.405 -11.914 914 HB2 GLU 114 2HB GLU 114 -16.324 13.337 -10.196 915 HB3 GLU 114 1HB GLU 114 -15.078 14.297 -10.974 916 HG2 GLU 114 2HG GLU 114 -16.871 14.830 -12.317 917 HG3 GLU 114 1HG GLU 114 -16.250 13.438 -13.201 918 H GLY 115 H GLY 115 -16.082 10.864 -9.526 919 HA2 GLY 115 2HA GLY 115 -14.503 11.258 -7.209 920 HA3 GLY 115 1HA GLY 115 -15.773 10.064 -7.423 921 H MET1001 H MET 1 -14.840 8.489 -9.463 922 HA MET1001 HA MET 1 -13.130 6.651 -8.243 923 HB2 MET1001 2HB MET 1 -14.599 6.075 -10.176 924 HB3 MET1001 1HB MET 1 -13.589 7.048 -11.238 925 HG2 MET1001 2HG MET 1 -11.657 5.489 -10.627 926 HG3 MET1001 1HG MET 1 -12.855 4.452 -9.861 927 HE1 MET1001 1HE MET 1 -11.370 5.824 -13.210 928 HE2 MET1001 2HE MET 1 -12.977 6.546 -13.290 929 HE3 MET1001 3HE MET 1 -12.534 5.260 -14.412 930 H THR1002 H THR 2 -12.363 9.107 -10.706 931 HA THR1002 HA THR 2 -9.631 8.360 -10.988 932 HB THR1002 HB THR 2 -9.438 10.517 -12.315 933 HG1 THR1002 HG1 THR 2 -12.180 10.864 -12.395 934 HG21 THR1002 1HG2 THR 2 -11.737 8.686 -13.087 935 HG22 THR1002 2HG2 THR 2 -10.025 8.394 -13.414 936 HG23 THR1002 3HG2 THR 2 -10.848 9.753 -14.181 937 H THR1003 H THR 3 -11.272 11.068 -9.258 938 HA THR1003 HA THR 3 -8.910 12.396 -8.464 939 HB THR1003 HB THR 3 -11.287 13.366 -8.368 940 HG1 THR1003 HG1 THR 3 -10.606 14.831 -6.895 941 HG21 THR1003 1HG2 THR 3 -12.530 13.195 -6.252 942 HG22 THR1003 2HG2 THR 3 -11.353 12.037 -5.628 943 HG23 THR1003 3HG2 THR 3 -12.383 11.600 -6.991 944 H ARG1004 H ARG 4 -10.769 9.764 -6.975 945 HA ARG1004 HA ARG 4 -9.313 9.725 -4.516 946 HB2 ARG1004 2HB ARG 4 -11.176 7.684 -5.774 947 HB3 ARG1004 1HB ARG 4 -10.423 7.465 -4.194 948 HG2 ARG1004 2HG ARG 4 -11.525 9.552 -3.402 949 HG3 ARG1004 1HG ARG 4 -12.335 9.693 -4.964 950 HD2 ARG1004 2HD ARG 4 -13.877 8.716 -3.385 951 HD3 ARG1004 1HD ARG 4 -13.408 7.467 -4.542 952 HE ARG1004 HE ARG 4 -11.665 7.244 -2.382 953 HH11 ARG1004 1HH1 ARG 4 -15.128 6.829 -2.960 954 HH12 ARG1004 2HH1 ARG 4 -15.308 5.671 -1.687 955 HH21 ARG1004 1HH2 ARG 4 -11.962 5.801 -0.683 956 HH22 ARG1004 2HH2 ARG 4 -13.509 5.089 -0.397 957 H LEU1005 H LEU 5 -9.100 7.812 -7.549 958 HA LEU1005 HA LEU 5 -6.993 6.137 -6.611 959 HB2 LEU1005 2HB LEU 5 -7.979 6.765 -9.403 960 HB3 LEU1005 1HB LEU 5 -6.617 5.694 -9.123 961 HG LEU1005 HG LEU 5 -9.477 5.231 -8.187 962 HD11 LEU1005 1HD1 LEU 5 -7.833 3.807 -10.300 963 HD12 LEU1005 2HD1 LEU 5 -9.210 4.878 -10.579 964 HD13 LEU1005 3HD1 LEU 5 -9.452 3.338 -9.759 965 HD21 LEU1005 1HD2 LEU 5 -7.914 4.344 -6.519 966 HD22 LEU1005 2HD2 LEU 5 -7.037 3.460 -7.771 967 HD23 LEU1005 3HD2 LEU 5 -8.706 3.032 -7.386 968 H THR1006 H THR 6 -6.956 9.334 -8.154 969 HA THR1006 HA THR 6 -4.138 9.307 -8.726 970 HB THR1006 HB THR 6 -4.366 11.796 -9.101 971 HG1 THR1006 HG1 THR 6 -7.096 11.303 -8.450 972 HG21 THR1006 1HG2 THR 6 -6.473 10.122 -10.524 973 HG22 THR1006 2HG2 THR 6 -4.770 10.228 -10.979 974 HG23 THR1006 3HG2 THR 6 -5.803 11.654 -11.097 975 H ARG1007 H ARG 7 -6.120 10.709 -6.051 976 HA ARG1007 HA ARG 7 -3.898 11.720 -4.564 977 HB2 ARG1007 2HB ARG 7 -5.387 12.055 -2.715 978 HB3 ARG1007 1HB ARG 7 -6.330 12.384 -4.166 979 HG2 ARG1007 2HG ARG 7 -7.415 10.206 -4.012 980 HG3 ARG1007 1HG ARG 7 -6.394 9.750 -2.652 981 HD2 ARG1007 2HD ARG 7 -7.436 11.557 -1.305 982 HD3 ARG1007 1HD ARG 7 -8.497 11.932 -2.670 983 HE ARG1007 HE ARG 7 -8.654 9.179 -2.007 984 HH11 ARG1007 1HH1 ARG 7 -9.754 12.298 -0.813 985 HH12 ARG1007 2HH1 ARG 7 -11.135 11.630 -0.010 986 HH21 ARG1007 1HH2 ARG 7 -10.444 8.334 -0.954 987 HH22 ARG1007 2HH2 ARG 7 -11.525 9.381 -0.092 988 H TRP1008 H TRP 8 -5.418 8.608 -4.835 989 HA TRP1008 HA TRP 8 -4.262 7.264 -2.628 990 HB2 TRP1008 2HB TRP 8 -6.101 6.081 -3.382 991 HB3 TRP1008 1HB TRP 8 -5.870 6.569 -5.043 992 HD1 TRP1008 HD1 TRP 8 -4.454 4.947 -6.620 993 HE1 TRP1008 HE1 TRP 8 -3.859 2.478 -6.395 994 HE3 TRP1008 HE3 TRP 8 -5.454 4.289 -1.659 995 HZ2 TRP1008 HZ2 TRP 8 -3.842 0.480 -4.443 996 HZ3 TRP1008 HZ3 TRP 8 -5.133 2.056 -0.692 997 HH2 TRP1008 HH2 TRP 8 -4.340 0.194 -2.055 998 H LEU1009 H LEU 9 -3.223 7.763 -6.020 999 HA LEU1009 HA LEU 9 -0.950 5.979 -5.838 1000 HB2 LEU1009 2HB LEU 9 -1.653 8.107 -7.902 1001 HB3 LEU1009 1HB LEU 9 -0.238 7.075 -8.020 1002 HG LEU1009 HG LEU 9 -3.126 6.122 -8.100 1003 HD11 LEU1009 1HD1 LEU 9 -2.491 7.337 -10.124 1004 HD12 LEU1009 2HD1 LEU 9 -2.717 5.621 -10.453 1005 HD13 LEU1009 3HD1 LEU 9 -1.083 6.289 -10.332 1006 HD21 LEU1009 1HD2 LEU 9 -1.671 4.432 -7.077 1007 HD22 LEU1009 2HD2 LEU 9 -0.583 4.511 -8.467 1008 HD23 LEU1009 3HD2 LEU 9 -2.237 3.924 -8.666 1009 H THR1010 H THR 10 -1.591 9.396 -5.412 1010 HA THR1010 HA THR 10 1.019 10.345 -4.943 1011 HB THR1010 HB THR 10 -1.660 11.270 -3.814 1012 HG1 THR1010 HG1 THR 10 -1.910 11.912 -5.802 1013 HG21 THR1010 1HG2 THR 10 0.200 12.155 -2.464 1014 HG22 THR1010 2HG2 THR 10 -0.598 13.432 -3.386 1015 HG23 THR1010 3HG2 THR 10 0.955 12.792 -3.927 1016 H ALA1011 H ALA 11 -1.400 8.815 -2.828 1017 HA ALA1011 HA ALA 11 0.047 9.110 -0.365 1018 HB1 ALA1011 1HB ALA 11 -1.708 7.646 0.562 1019 HB2 ALA1011 2HB ALA 11 -2.283 7.299 -1.071 1020 HB3 ALA1011 3HB ALA 11 -2.404 8.935 -0.422 1021 H LEU1012 H LEU 12 -0.182 6.641 -2.874 1022 HA LEU1012 HA LEU 12 1.186 4.526 -1.504 1023 HB2 LEU1012 2HB LEU 12 0.982 4.983 -4.521 1024 HB3 LEU1012 1HB LEU 12 1.551 3.513 -3.750 1025 HG LEU1012 HG LEU 12 -1.277 4.568 -3.919 1026 HD11 LEU1012 1HD1 LEU 12 -1.764 2.386 -4.904 1027 HD12 LEU1012 2HD1 LEU 12 -0.071 1.914 -4.726 1028 HD13 LEU1012 3HD1 LEU 12 -0.513 3.242 -5.803 1029 HD21 LEU1012 1HD2 LEU 12 -2.033 2.754 -2.442 1030 HD22 LEU1012 2HD2 LEU 12 -1.007 3.902 -1.591 1031 HD23 LEU1012 3HD2 LEU 12 -0.353 2.337 -2.082 1032 H ASP1013 H ASP 13 2.079 7.079 -3.750 1033 HA ASP1013 HA ASP 13 4.819 6.619 -4.052 1034 HB2 ASP1013 2HB ASP 13 3.591 8.136 -5.524 1035 HB3 ASP1013 1HB ASP 13 3.181 9.191 -4.178 1036 H ASN1014 H ASN 14 3.012 8.528 -1.657 1037 HA ASN1014 HA ASN 14 5.190 9.726 -0.316 1038 HB2 ASN1014 2HB ASN 14 2.801 10.520 -0.173 1039 HB3 ASN1014 1HB ASN 14 2.417 9.110 0.811 1040 HD21 ASN1014 1HD2 ASN 14 1.833 10.302 2.630 1041 HD22 ASN1014 2HD2 ASN 14 2.965 11.201 3.574 1042 H PHE1015 H PHE 15 3.236 6.814 0.421 1043 HA PHE1015 HA PHE 15 4.552 5.996 2.771 1044 HB2 PHE1015 2HB PHE 15 2.420 5.036 2.341 1045 HB3 PHE1015 1HB PHE 15 2.862 4.553 0.711 1046 HD1 PHE1015 HD1 PHE 15 3.400 2.313 0.324 1047 HD2 PHE1015 HD2 PHE 15 3.801 3.804 4.296 1048 HE1 PHE1015 HE1 PHE 15 3.919 0.053 1.111 1049 HE2 PHE1015 HE2 PHE 15 4.327 1.527 5.087 1050 HZ PHE1015 HZ PHE 15 4.382 -0.354 3.485 1051 H GLU1016 H GLU 16 4.870 4.715 -0.543 1052 HA GLU1016 HA GLU 16 6.857 2.867 -0.277 1053 HB2 GLU1016 2HB GLU 16 5.386 3.472 -2.311 1054 HB3 GLU1016 1HB GLU 16 6.593 4.677 -2.721 1055 HG2 GLU1016 2HG GLU 16 7.359 1.775 -2.382 1056 HG3 GLU1016 1HG GLU 16 6.612 2.321 -3.875 1057 H ALA1017 H ALA 17 7.296 6.293 -1.145 1058 HA ALA1017 HA ALA 17 10.096 6.310 -1.345 1059 HB1 ALA1017 1HB ALA 17 9.911 8.763 -1.240 1060 HB2 ALA1017 2HB ALA 17 8.235 8.620 -0.706 1061 HB3 ALA1017 3HB ALA 17 8.695 8.076 -2.320 1062 H LYS1018 H LYS 18 8.001 7.517 1.335 1063 HA LYS1018 HA LYS 18 10.066 8.268 3.090 1064 HB2 LYS1018 2HB LYS 18 7.783 9.099 3.383 1065 HB3 LYS1018 1HB LYS 18 7.184 7.475 3.661 1066 HG2 LYS1018 2HG LYS 18 7.191 8.435 5.798 1067 HG3 LYS1018 1HG LYS 18 8.654 7.462 5.786 1068 HD2 LYS1018 2HD LYS 18 8.684 10.444 5.198 1069 HD3 LYS1018 1HD LYS 18 8.776 9.818 6.840 1070 HE2 LYS1018 2HE LYS 18 10.863 8.633 6.274 1071 HE3 LYS1018 1HE LYS 18 10.771 9.243 4.621 1072 HZ1 LYS1018 1HZ LYS 18 11.101 10.856 7.089 1073 HZ2 LYS1018 2HZ LYS 18 10.872 11.507 5.548 1074 HZ3 LYS1018 3HZ LYS 18 12.255 10.598 5.881 1075 H MET1019 H MET 19 8.394 5.165 2.750 1076 HA MET1019 HA MET 19 9.504 4.120 5.187 1077 HB2 MET1019 2HB MET 19 8.170 2.245 4.945 1078 HB3 MET1019 1HB MET 19 7.197 3.501 4.211 1079 HG2 MET1019 2HG MET 19 7.227 2.497 2.163 1080 HG3 MET1019 1HG MET 19 8.911 1.994 2.307 1081 HE1 MET1019 1HE MET 19 8.519 -1.136 4.681 1082 HE2 MET1019 2HE MET 19 8.648 0.524 5.253 1083 HE3 MET1019 3HE MET 19 9.668 -0.033 3.921 1084 H ALA1020 H ALA 20 10.327 4.018 1.773 1085 HA ALA1020 HA ALA 20 12.494 2.157 2.011 1086 HB1 ALA1020 1HB ALA 20 11.578 2.787 -0.188 1087 HB2 ALA1020 2HB ALA 20 13.303 3.149 -0.108 1088 HB3 ALA1020 3HB ALA 20 12.120 4.452 0.043 1089 H LEU1021 H LEU 21 12.085 5.611 2.586 1090 HA LEU1021 HA LEU 21 14.871 6.179 3.059 1091 HB2 LEU1021 2HB LEU 21 12.383 7.853 3.588 1092 HB3 LEU1021 1HB LEU 21 14.031 8.444 3.748 1093 HG LEU1021 HG LEU 21 12.741 7.515 1.153 1094 HD11 LEU1021 1HD1 LEU 21 12.768 9.858 0.467 1095 HD12 LEU1021 2HD1 LEU 21 13.385 10.332 2.053 1096 HD13 LEU1021 3HD1 LEU 21 11.778 9.615 1.904 1097 HD21 LEU1021 1HD2 LEU 21 15.139 7.061 1.130 1098 HD22 LEU1021 2HD2 LEU 21 15.488 8.732 1.585 1099 HD23 LEU1021 3HD2 LEU 21 14.742 8.373 0.025 1100 H LEU1022 H LEU 22 12.316 4.870 5.029 1101 HA LEU1022 HA LEU 22 12.936 5.523 7.636 1102 HB2 LEU1022 2HB LEU 22 12.204 2.831 6.445 1103 HB3 LEU1022 1HB LEU 22 12.498 2.977 8.166 1104 HG LEU1022 HG LEU 22 10.304 4.446 6.649 1105 HD11 LEU1022 1HD1 LEU 22 10.099 2.033 8.487 1106 HD12 LEU1022 2HD1 LEU 22 9.869 2.032 6.735 1107 HD13 LEU1022 3HD1 LEU 22 8.746 2.912 7.765 1108 HD21 LEU1022 1HD2 LEU 22 9.420 5.007 8.884 1109 HD22 LEU1022 2HD2 LEU 22 11.005 5.727 8.598 1110 HD23 LEU1022 3HD2 LEU 22 10.859 4.297 9.626 1111 HA PRO1023 HA PRO 23 17.243 3.900 7.870 1112 HB2 PRO1023 2HB PRO 23 17.762 5.833 10.002 1113 HB3 PRO1023 1HB PRO 23 18.390 5.845 8.345 1114 HG2 PRO1023 2HG PRO 23 16.642 7.738 9.284 1115 HG3 PRO1023 1HG PRO 23 16.757 7.262 7.574 1116 HD2 PRO1023 2HD PRO 23 14.774 6.312 9.652 1117 HD3 PRO1023 1HD PRO 23 14.477 6.851 7.979 1118 H ALA1024 H ALA 24 14.767 4.377 10.277 1119 HA ALA1024 HA ALA 24 16.059 3.107 12.504 1120 HB1 ALA1024 1HB ALA 24 13.875 3.323 13.612 1121 HB2 ALA1024 2HB ALA 24 13.123 3.763 12.074 1122 HB3 ALA1024 3HB ALA 24 14.321 4.830 12.810 1123 H VAL1025 H VAL 25 13.596 2.141 10.132 1124 HA VAL1025 HA VAL 25 13.588 -0.632 11.131 1125 HB VAL1025 HB VAL 25 11.750 0.581 9.012 1126 HG11 VAL1025 1HG1 VAL 25 10.270 -1.339 9.524 1127 HG12 VAL1025 2HG1 VAL 25 11.442 -1.940 10.700 1128 HG13 VAL1025 3HG1 VAL 25 11.861 -1.886 8.986 1129 HG21 VAL1025 1HG2 VAL 25 10.039 0.869 10.785 1130 HG22 VAL1025 2HG2 VAL 25 11.463 1.869 11.088 1131 HG23 VAL1025 3HG2 VAL 25 11.217 0.380 12.006 Start of MODEL 3 1 H1 MET 1 1H MET 1 5.971 -4.870 24.142 2 H2 MET 1 2H MET 1 6.443 -6.230 25.031 3 H3 MET 1 3H MET 1 4.932 -5.536 25.297 4 HA MET 1 HA MET 1 5.830 -6.828 22.807 5 HB2 MET 1 2HB MET 1 4.227 -8.623 23.341 6 HB3 MET 1 1HB MET 1 5.441 -8.475 24.600 7 HG2 MET 1 2HG MET 1 3.866 -7.396 26.080 8 HG3 MET 1 1HG MET 1 2.653 -7.300 24.804 9 HE1 MET 1 1HE MET 1 2.852 -10.160 23.410 10 HE2 MET 1 2HE MET 1 1.323 -9.397 23.851 11 HE3 MET 1 3HE MET 1 1.650 -11.061 24.333 12 H THR 2 H THR 2 3.687 -4.500 24.209 13 HA THR 2 HA THR 2 1.476 -4.793 22.442 14 HB THR 2 HB THR 2 1.026 -2.322 23.005 15 HG1 THR 2 HG1 THR 2 2.450 -1.245 24.173 16 HG21 THR 2 1HG2 THR 2 -0.021 -4.126 24.310 17 HG22 THR 2 2HG2 THR 2 0.421 -2.780 25.363 18 HG23 THR 2 3HG2 THR 2 1.415 -4.238 25.332 19 H SER 3 H SER 3 4.283 -2.569 22.352 20 HA SER 3 HA SER 3 3.888 -1.327 19.895 21 HB2 SER 3 2HB SER 3 5.568 -0.590 21.524 22 HB3 SER 3 1HB SER 3 6.491 -2.074 21.300 23 HG SER 3 HG SER 3 7.258 -1.332 19.454 24 H THR 4 H THR 4 5.563 -4.343 20.646 25 HA THR 4 HA THR 4 6.558 -5.110 18.163 26 HB THR 4 HB THR 4 5.688 -6.718 20.597 27 HG1 THR 4 HG1 THR 4 8.104 -5.573 19.686 28 HG21 THR 4 1HG2 THR 4 5.641 -8.265 18.694 29 HG22 THR 4 2HG2 THR 4 7.040 -8.607 19.714 30 HG23 THR 4 3HG2 THR 4 7.248 -7.732 18.197 31 H VAL 5 H VAL 5 3.473 -6.138 19.737 32 HA VAL 5 HA VAL 5 2.754 -7.821 17.558 33 HB VAL 5 HB VAL 5 2.016 -8.153 19.967 34 HG11 VAL 5 1HG1 VAL 5 1.271 -5.882 20.500 35 HG12 VAL 5 2HG1 VAL 5 -0.021 -7.052 20.777 36 HG13 VAL 5 3HG1 VAL 5 -0.053 -6.026 19.341 37 HG21 VAL 5 1HG2 VAL 5 -0.160 -8.254 17.848 38 HG22 VAL 5 2HG2 VAL 5 -0.170 -9.149 19.372 39 HG23 VAL 5 3HG2 VAL 5 1.062 -9.489 18.155 40 H GLU 6 H GLU 6 1.956 -4.464 18.419 41 HA GLU 6 HA GLU 6 -0.093 -4.078 16.483 42 HB2 GLU 6 2HB GLU 6 1.779 -2.064 17.797 43 HB3 GLU 6 1HB GLU 6 0.417 -1.620 16.771 44 HG2 GLU 6 2HG GLU 6 0.264 -3.071 19.428 45 HG3 GLU 6 1HG GLU 6 -0.147 -1.384 19.132 46 H PHE 7 H PHE 7 3.429 -3.429 16.431 47 HA PHE 7 HA PHE 7 3.621 -2.229 13.904 48 HB2 PHE 7 2HB PHE 7 5.384 -2.284 15.711 49 HB3 PHE 7 1HB PHE 7 5.710 -3.960 15.300 50 HD1 PHE 7 HD1 PHE 7 7.524 -4.362 13.863 51 HD2 PHE 7 HD2 PHE 7 5.531 -0.586 13.648 52 HE1 PHE 7 HE1 PHE 7 9.203 -3.557 12.265 53 HE2 PHE 7 HE2 PHE 7 7.214 0.209 12.054 54 HZ PHE 7 HZ PHE 7 9.051 -1.278 11.365 55 H ILE 8 H ILE 8 4.091 -5.635 14.846 56 HA ILE 8 HA ILE 8 4.675 -6.714 12.300 57 HB ILE 8 HB ILE 8 3.609 -8.042 14.831 58 HG12 ILE 8 2HG1 ILE 8 6.452 -7.969 13.716 59 HG13 ILE 8 1HG1 ILE 8 5.859 -6.914 14.995 60 HG21 ILE 8 1HG2 ILE 8 3.086 -9.500 12.923 61 HG22 ILE 8 2HG2 ILE 8 4.372 -10.207 13.901 62 HG23 ILE 8 3HG2 ILE 8 4.764 -9.412 12.375 63 HD11 ILE 8 1HD1 ILE 8 7.148 -8.755 15.885 64 HD12 ILE 8 2HD1 ILE 8 6.048 -9.918 15.148 65 HD13 ILE 8 3HD1 ILE 8 5.473 -8.841 16.425 66 H ASN 9 H ASN 9 1.593 -6.463 14.130 67 HA ASN 9 HA ASN 9 0.053 -8.024 12.283 68 HB2 ASN 9 2HB ASN 9 -0.782 -6.158 14.539 69 HB3 ASN 9 1HB ASN 9 -1.964 -6.941 13.498 70 HD21 ASN 9 1HD2 ASN 9 1.053 -8.483 14.587 71 HD22 ASN 9 2HD2 ASN 9 0.280 -9.651 15.588 72 H ARG 10 H ARG 10 0.617 -4.552 12.670 73 HA ARG 10 HA ARG 10 -1.344 -3.724 10.770 74 HB2 ARG 10 2HB ARG 10 1.044 -2.252 11.964 75 HB3 ARG 10 1HB ARG 10 -0.100 -1.492 10.855 76 HG2 ARG 10 2HG ARG 10 -1.915 -1.753 12.403 77 HG3 ARG 10 1HG ARG 10 -0.956 -2.787 13.462 78 HD2 ARG 10 2HD ARG 10 0.542 -0.807 13.916 79 HD3 ARG 10 1HD ARG 10 -0.574 0.190 12.976 80 HE ARG 10 HE ARG 10 -1.827 -1.285 15.127 81 HH11 ARG 10 1HH1 ARG 10 -0.187 1.736 14.333 82 HH12 ARG 10 2HH1 ARG 10 -0.889 2.605 15.658 83 HH21 ARG 10 1HH2 ARG 10 -2.725 -0.142 16.869 84 HH22 ARG 10 2HH2 ARG 10 -2.332 1.535 17.100 85 H TRP 11 H TRP 11 2.200 -4.317 10.551 86 HA TRP 11 HA TRP 11 2.428 -3.734 7.780 87 HB2 TRP 11 2HB TRP 11 4.122 -5.361 9.690 88 HB3 TRP 11 1HB TRP 11 4.467 -5.424 7.965 89 HD1 TRP 11 HD1 TRP 11 5.615 -3.630 10.863 90 HE1 TRP 11 HE1 TRP 11 6.696 -1.397 10.220 91 HE3 TRP 11 HE3 TRP 11 3.892 -3.185 6.065 92 HZ2 TRP 11 HZ2 TRP 11 6.816 0.340 8.037 93 HZ3 TRP 11 HZ3 TRP 11 4.524 -1.188 4.774 94 HH2 TRP 11 HH2 TRP 11 5.952 0.537 5.756 95 H GLN 12 H GLN 12 1.642 -6.702 9.518 96 HA GLN 12 HA GLN 12 1.520 -8.526 7.391 97 HB2 GLN 12 2HB GLN 12 1.457 -9.272 9.716 98 HB3 GLN 12 1HB GLN 12 -0.038 -8.394 10.006 99 HG2 GLN 12 2HG GLN 12 -1.236 -9.929 8.480 100 HG3 GLN 12 1HG GLN 12 0.269 -10.810 8.194 101 HE21 GLN 12 1HE2 GLN 12 -0.744 -12.711 8.991 102 HE22 GLN 12 2HE2 GLN 12 -1.006 -12.956 10.679 103 H ARG 13 H ARG 13 -0.893 -6.292 8.736 104 HA ARG 13 HA ARG 13 -3.079 -7.081 7.125 105 HB2 ARG 13 2HB ARG 13 -2.495 -4.559 8.715 106 HB3 ARG 13 1HB ARG 13 -3.982 -4.737 7.791 107 HG2 ARG 13 2HG ARG 13 -3.092 -6.569 10.043 108 HG3 ARG 13 1HG ARG 13 -4.293 -5.284 10.190 109 HD2 ARG 13 2HD ARG 13 -5.787 -6.448 8.648 110 HD3 ARG 13 1HD ARG 13 -4.557 -7.674 8.322 111 HE ARG 13 HE ARG 13 -5.222 -7.533 11.098 112 HH11 ARG 13 1HH1 ARG 13 -6.358 -8.826 8.022 113 HH12 ARG 13 2HH1 ARG 13 -7.238 -10.130 8.757 114 HH21 ARG 13 1HH2 ARG 13 -6.365 -9.261 12.050 115 HH22 ARG 13 2HH2 ARG 13 -7.239 -10.376 11.044 116 H ILE 14 H ILE 14 -0.636 -4.495 6.756 117 HA ILE 14 HA ILE 14 -1.682 -3.348 4.377 118 HB ILE 14 HB ILE 14 1.210 -3.372 5.369 119 HG12 ILE 14 2HG1 ILE 14 -0.949 -1.257 5.733 120 HG13 ILE 14 1HG1 ILE 14 -0.409 -2.373 6.978 121 HG21 ILE 14 1HG2 ILE 14 1.043 -2.750 2.964 122 HG22 ILE 14 2HG2 ILE 14 1.608 -1.414 3.963 123 HG23 ILE 14 3HG2 ILE 14 -0.062 -1.445 3.392 124 HD11 ILE 14 1HD1 ILE 14 1.831 -1.392 6.870 125 HD12 ILE 14 2HD1 ILE 14 0.585 -0.222 7.296 126 HD13 ILE 14 3HD1 ILE 14 1.252 -0.238 5.664 127 H ALA 15 H ALA 15 0.538 -6.033 4.971 128 HA ALA 15 HA ALA 15 1.421 -6.526 2.335 129 HB1 ALA 15 1HB ALA 15 1.128 -8.450 4.668 130 HB2 ALA 15 2HB ALA 15 2.544 -7.460 4.311 131 HB3 ALA 15 3HB ALA 15 2.071 -8.748 3.202 132 H LEU 16 H LEU 16 -1.194 -7.980 4.270 133 HA LEU 16 HA LEU 16 -2.214 -9.757 2.323 134 HB2 LEU 16 2HB LEU 16 -3.585 -8.511 4.749 135 HB3 LEU 16 1HB LEU 16 -4.243 -9.848 3.821 136 HG LEU 16 HG LEU 16 -1.676 -9.925 5.456 137 HD11 LEU 16 1HD1 LEU 16 -4.367 -11.194 6.039 138 HD12 LEU 16 2HD1 LEU 16 -3.645 -9.825 6.889 139 HD13 LEU 16 3HD1 LEU 16 -2.887 -11.411 6.981 140 HD21 LEU 16 1HD2 LEU 16 -1.645 -12.338 5.010 141 HD22 LEU 16 2HD2 LEU 16 -1.496 -11.401 3.527 142 HD23 LEU 16 3HD2 LEU 16 -3.035 -12.166 3.932 143 H LEU 17 H LEU 17 -3.096 -6.440 3.240 144 HA LEU 17 HA LEU 17 -5.383 -6.116 1.627 145 HB2 LEU 17 2HB LEU 17 -3.464 -4.115 2.860 146 HB3 LEU 17 1HB LEU 17 -4.795 -3.576 1.851 147 HG LEU 17 HG LEU 17 -5.177 -5.197 4.405 148 HD11 LEU 17 1HD1 LEU 17 -5.411 -2.196 4.025 149 HD12 LEU 17 2HD1 LEU 17 -4.152 -3.035 4.936 150 HD13 LEU 17 3HD1 LEU 17 -5.824 -3.099 5.487 151 HD21 LEU 17 1HD2 LEU 17 -7.033 -5.381 2.786 152 HD22 LEU 17 2HD2 LEU 17 -7.178 -3.617 2.747 153 HD23 LEU 17 3HD2 LEU 17 -7.513 -4.505 4.237 154 H SER 18 H SER 18 -2.011 -4.983 1.077 155 HA SER 18 HA SER 18 -2.362 -3.883 -1.467 156 HB2 SER 18 2HB SER 18 0.111 -4.061 -1.690 157 HB3 SER 18 1HB SER 18 -0.357 -3.450 -0.102 158 HG SER 18 HG SER 18 0.530 -5.120 0.780 159 H GLN 19 H GLN 19 -1.552 -7.181 -0.484 160 HA GLN 19 HA GLN 19 -1.067 -8.338 -3.005 161 HB2 GLN 19 2HB GLN 19 -0.482 -9.381 -0.848 162 HB3 GLN 19 1HB GLN 19 -2.184 -9.564 -0.450 163 HG2 GLN 19 2HG GLN 19 -2.426 -11.146 -2.352 164 HG3 GLN 19 1HG GLN 19 -0.701 -10.980 -2.685 165 HE21 GLN 19 1HE2 GLN 19 -2.113 -11.096 0.565 166 HE22 GLN 19 2HE2 GLN 19 -1.441 -12.622 0.994 167 H SER 20 H SER 20 -4.068 -8.159 -1.056 168 HA SER 20 HA SER 20 -5.806 -9.491 -2.829 169 HB2 SER 20 2HB SER 20 -6.450 -7.332 -0.767 170 HB3 SER 20 1HB SER 20 -7.636 -8.396 -1.532 171 HG SER 20 HG SER 20 -5.437 -9.538 -0.211 172 H LEU 21 H LEU 21 -4.990 -6.076 -2.453 173 HA LEU 21 HA LEU 21 -6.753 -4.936 -4.320 174 HB2 LEU 21 2HB LEU 21 -4.087 -3.935 -3.237 175 HB3 LEU 21 1HB LEU 21 -5.195 -2.947 -4.177 176 HG LEU 21 HG LEU 21 -5.951 -4.183 -1.499 177 HD11 LEU 21 1HD1 LEU 21 -4.893 -1.394 -2.018 178 HD12 LEU 21 2HD1 LEU 21 -4.054 -2.690 -1.162 179 HD13 LEU 21 3HD1 LEU 21 -5.525 -1.996 -0.482 180 HD21 LEU 21 1HD2 LEU 21 -7.746 -2.505 -1.502 181 HD22 LEU 21 2HD2 LEU 21 -7.870 -3.579 -2.891 182 HD23 LEU 21 3HD2 LEU 21 -7.236 -1.943 -3.098 183 H LEU 22 H LEU 22 -3.461 -6.228 -4.559 184 HA LEU 22 HA LEU 22 -2.866 -5.340 -7.187 185 HB2 LEU 22 2HB LEU 22 -1.051 -6.055 -5.746 186 HB3 LEU 22 1HB LEU 22 -1.761 -7.649 -5.544 187 HG LEU 22 HG LEU 22 -1.285 -8.203 -7.910 188 HD11 LEU 22 1HD1 LEU 22 -1.525 -6.017 -8.937 189 HD12 LEU 22 2HD1 LEU 22 0.044 -6.710 -9.340 190 HD13 LEU 22 3HD1 LEU 22 -0.069 -5.436 -8.121 191 HD21 LEU 22 1HD2 LEU 22 0.422 -8.692 -6.203 192 HD22 LEU 22 2HD2 LEU 22 1.184 -7.132 -6.524 193 HD23 LEU 22 3HD2 LEU 22 1.133 -8.366 -7.782 194 H GLU 23 H GLU 23 -4.228 -8.361 -5.884 195 HA GLU 23 HA GLU 23 -4.562 -9.781 -8.296 196 HB2 GLU 23 2HB GLU 23 -6.252 -9.891 -5.757 197 HB3 GLU 23 1HB GLU 23 -6.301 -11.091 -7.049 198 HG2 GLU 23 2HG GLU 23 -3.949 -11.680 -6.606 199 HG3 GLU 23 1HG GLU 23 -3.878 -10.461 -5.332 200 H LEU 24 H LEU 24 -6.599 -7.435 -6.634 201 HA LEU 24 HA LEU 24 -8.866 -7.593 -8.377 202 HB2 LEU 24 2HB LEU 24 -8.020 -5.522 -6.317 203 HB3 LEU 24 1HB LEU 24 -9.581 -5.510 -7.130 204 HG LEU 24 HG LEU 24 -8.608 -7.826 -5.416 205 HD11 LEU 24 1HD1 LEU 24 -10.126 -7.007 -3.664 206 HD12 LEU 24 2HD1 LEU 24 -10.413 -5.540 -4.607 207 HD13 LEU 24 3HD1 LEU 24 -8.799 -5.893 -3.989 208 HD21 LEU 24 1HD2 LEU 24 -10.941 -8.545 -5.456 209 HD22 LEU 24 2HD2 LEU 24 -10.279 -8.457 -7.086 210 HD23 LEU 24 3HD2 LEU 24 -11.363 -7.187 -6.504 211 H ALA 25 H ALA 25 -5.909 -5.717 -8.399 212 HA ALA 25 HA ALA 25 -6.704 -3.819 -10.414 213 HB1 ALA 25 1HB ALA 25 -4.850 -3.353 -8.865 214 HB2 ALA 25 2HB ALA 25 -4.289 -3.307 -10.536 215 HB3 ALA 25 3HB ALA 25 -3.935 -4.710 -9.526 216 H GLN 26 H GLN 26 -5.029 -6.940 -10.359 217 HA GLN 26 HA GLN 26 -4.583 -7.229 -13.155 218 HB2 GLN 26 2HB GLN 26 -4.823 -9.321 -10.950 219 HB3 GLN 26 1HB GLN 26 -4.268 -9.668 -12.582 220 HG2 GLN 26 2HG GLN 26 -2.879 -7.828 -10.605 221 HG3 GLN 26 1HG GLN 26 -2.407 -9.487 -10.961 222 HE21 GLN 26 1HE2 GLN 26 -0.783 -7.096 -11.235 223 HE22 GLN 26 2HE2 GLN 26 -0.339 -6.975 -12.899 224 H ARG 27 H ARG 27 -7.308 -7.832 -11.046 225 HA ARG 27 HA ARG 27 -8.930 -9.297 -12.951 226 HB2 ARG 27 2HB ARG 27 -9.382 -8.158 -10.174 227 HB3 ARG 27 1HB ARG 27 -10.749 -8.735 -11.113 228 HG2 ARG 27 2HG ARG 27 -8.347 -10.468 -10.454 229 HG3 ARG 27 1HG ARG 27 -9.794 -10.373 -9.447 230 HD2 ARG 27 2HD ARG 27 -9.736 -11.260 -12.356 231 HD3 ARG 27 1HD ARG 27 -9.867 -12.321 -10.947 232 HE ARG 27 HE ARG 27 -11.897 -10.250 -11.136 233 HH11 ARG 27 1HH1 ARG 27 -11.153 -13.616 -11.863 234 HH12 ARG 27 2HH1 ARG 27 -12.819 -14.065 -12.012 235 HH21 ARG 27 1HH2 ARG 27 -14.060 -10.858 -11.346 236 HH22 ARG 27 2HH2 ARG 27 -14.464 -12.506 -11.720 237 H GLY 28 H GLY 28 -8.404 -5.956 -12.093 238 HA2 GLY 28 2HA GLY 28 -9.122 -4.057 -13.205 239 HA3 GLY 28 1HA GLY 28 -10.275 -5.006 -14.125 240 H GLU 29 H GLU 29 -10.479 -5.636 -10.781 241 HA GLU 29 HA GLU 29 -12.966 -4.200 -10.478 242 HB2 GLU 29 2HB GLU 29 -11.418 -6.158 -8.792 243 HB3 GLU 29 1HB GLU 29 -12.541 -5.093 -7.961 244 HG2 GLU 29 2HG GLU 29 -13.683 -7.133 -8.384 245 HG3 GLU 29 1HG GLU 29 -14.369 -5.908 -9.442 246 H TRP 30 H TRP 30 -12.239 -2.046 -10.810 247 HA TRP 30 HA TRP 30 -10.350 -0.758 -9.065 248 HB2 TRP 30 2HB TRP 30 -12.428 0.752 -10.695 249 HB3 TRP 30 1HB TRP 30 -10.793 1.248 -10.274 250 HD1 TRP 30 HD1 TRP 30 -12.645 0.196 -13.203 251 HE1 TRP 30 HE1 TRP 30 -11.158 -0.834 -15.022 252 HE3 TRP 30 HE3 TRP 30 -8.376 -0.566 -10.462 253 HZ2 TRP 30 HZ2 TRP 30 -8.544 -1.839 -15.280 254 HZ3 TRP 30 HZ3 TRP 30 -6.420 -1.552 -11.576 255 HH2 TRP 30 HH2 TRP 30 -6.510 -2.185 -13.944 256 H ASP 31 H ASP 31 -13.780 -1.344 -9.042 257 HA ASP 31 HA ASP 31 -14.845 0.418 -7.204 258 HB2 ASP 31 2HB ASP 31 -15.445 -2.542 -7.627 259 HB3 ASP 31 1HB ASP 31 -16.435 -1.505 -6.606 260 H LEU 32 H LEU 32 -13.308 -2.738 -6.519 261 HA LEU 32 HA LEU 32 -13.610 -2.515 -3.677 262 HB2 LEU 32 2HB LEU 32 -12.004 -4.477 -5.349 263 HB3 LEU 32 1HB LEU 32 -12.164 -4.580 -3.602 264 HG LEU 32 HG LEU 32 -14.368 -4.945 -5.668 265 HD11 LEU 32 1HD1 LEU 32 -14.522 -7.210 -4.686 266 HD12 LEU 32 2HD1 LEU 32 -13.135 -6.843 -3.651 267 HD13 LEU 32 3HD1 LEU 32 -12.948 -6.882 -5.407 268 HD21 LEU 32 1HD2 LEU 32 -15.919 -5.363 -3.803 269 HD22 LEU 32 2HD2 LEU 32 -15.322 -3.707 -3.778 270 HD23 LEU 32 3HD2 LEU 32 -14.673 -4.892 -2.642 271 H LEU 33 H LEU 33 -11.113 -1.577 -5.943 272 HA LEU 33 HA LEU 33 -9.032 -1.131 -4.049 273 HB2 LEU 33 2HB LEU 33 -9.506 0.386 -6.654 274 HB3 LEU 33 1HB LEU 33 -8.002 0.326 -5.742 275 HG LEU 33 HG LEU 33 -9.296 -1.934 -7.309 276 HD11 LEU 33 1HD1 LEU 33 -7.245 -1.913 -8.623 277 HD12 LEU 33 2HD1 LEU 33 -6.612 -0.577 -7.655 278 HD13 LEU 33 3HD1 LEU 33 -8.043 -0.343 -8.664 279 HD21 LEU 33 1HD2 LEU 33 -8.418 -2.894 -5.251 280 HD22 LEU 33 2HD2 LEU 33 -6.854 -2.123 -5.525 281 HD23 LEU 33 3HD2 LEU 33 -7.433 -3.376 -6.629 282 H LEU 34 H LEU 34 -11.651 0.923 -5.330 283 HA LEU 34 HA LEU 34 -11.063 3.242 -3.766 284 HB2 LEU 34 2HB LEU 34 -13.646 2.391 -5.134 285 HB3 LEU 34 1HB LEU 34 -13.353 3.993 -4.469 286 HG LEU 34 HG LEU 34 -11.860 2.736 -6.811 287 HD11 LEU 34 1HD1 LEU 34 -12.963 4.427 -8.197 288 HD12 LEU 34 2HD1 LEU 34 -13.878 4.999 -6.799 289 HD13 LEU 34 3HD1 LEU 34 -14.136 3.366 -7.419 290 HD21 LEU 34 1HD2 LEU 34 -10.364 4.188 -5.550 291 HD22 LEU 34 2HD2 LEU 34 -11.543 5.501 -5.603 292 HD23 LEU 34 3HD2 LEU 34 -10.781 4.932 -7.092 293 H GLN 35 H GLN 35 -13.019 0.364 -3.186 294 HA GLN 35 HA GLN 35 -14.484 1.303 -0.907 295 HB2 GLN 35 2HB GLN 35 -15.288 -0.600 -2.240 296 HB3 GLN 35 1HB GLN 35 -13.835 -1.518 -1.878 297 HG2 GLN 35 2HG GLN 35 -15.681 -2.378 -0.566 298 HG3 GLN 35 1HG GLN 35 -14.511 -1.624 0.512 299 HE21 GLN 35 1HE2 GLN 35 -17.702 -1.374 -0.884 300 HE22 GLN 35 2HE2 GLN 35 -18.313 -0.196 0.221 301 H GLN 36 H GLN 36 -11.565 -0.641 -1.324 302 HA GLN 36 HA GLN 36 -11.031 -0.827 1.534 303 HB2 GLN 36 2HB GLN 36 -9.706 -2.025 -0.928 304 HB3 GLN 36 1HB GLN 36 -9.058 -2.250 0.697 305 HG2 GLN 36 2HG GLN 36 -10.981 -3.480 1.406 306 HG3 GLN 36 1HG GLN 36 -11.909 -3.005 -0.012 307 HE21 GLN 36 1HE2 GLN 36 -9.934 -3.547 -1.991 308 HE22 GLN 36 2HE2 GLN 36 -9.731 -5.262 -2.061 309 H GLU 37 H GLU 37 -10.235 1.336 -0.981 310 HA GLU 37 HA GLU 37 -7.713 2.262 -0.654 311 HB2 GLU 37 2HB GLU 37 -9.429 3.289 -2.157 312 HB3 GLU 37 1HB GLU 37 -10.197 4.029 -0.756 313 HG2 GLU 37 2HG GLU 37 -8.029 5.270 -0.338 314 HG3 GLU 37 1HG GLU 37 -7.462 4.644 -1.885 315 H VAL 38 H VAL 38 -10.450 3.391 1.349 316 HA VAL 38 HA VAL 38 -9.081 5.016 3.126 317 HB VAL 38 HB VAL 38 -11.489 5.142 2.942 318 HG11 VAL 38 1HG1 VAL 38 -12.010 2.811 2.445 319 HG12 VAL 38 2HG1 VAL 38 -13.023 3.397 3.765 320 HG13 VAL 38 3HG1 VAL 38 -11.645 2.347 4.110 321 HG21 VAL 38 1HG2 VAL 38 -12.195 5.194 5.313 322 HG22 VAL 38 2HG2 VAL 38 -10.579 5.876 5.107 323 HG23 VAL 38 3HG2 VAL 38 -10.772 4.249 5.762 324 H SER 39 H SER 39 -9.679 1.511 3.345 325 HA SER 39 HA SER 39 -8.737 1.193 6.028 326 HB2 SER 39 2HB SER 39 -9.121 -0.875 3.816 327 HB3 SER 39 1HB SER 39 -8.919 -1.224 5.536 328 HG SER 39 HG SER 39 -10.843 -0.189 5.959 329 H TYR 40 H TYR 40 -7.237 0.850 2.832 330 HA TYR 40 HA TYR 40 -4.833 -0.409 3.718 331 HB2 TYR 40 2HB TYR 40 -5.691 -0.606 1.386 332 HB3 TYR 40 1HB TYR 40 -5.371 1.104 1.125 333 HD1 TYR 40 HD1 TYR 40 -3.459 1.463 -0.223 334 HD2 TYR 40 HD2 TYR 40 -3.416 -1.827 2.490 335 HE1 TYR 40 HE1 TYR 40 -1.216 0.846 -0.998 336 HE2 TYR 40 HE2 TYR 40 -1.169 -2.429 1.714 337 HH TYR 40 HH TYR 40 0.742 -0.368 -0.202 338 H LEU 41 H LEU 41 -5.695 2.939 2.837 339 HA LEU 41 HA LEU 41 -3.113 4.053 3.312 340 HB2 LEU 41 2HB LEU 41 -5.827 5.441 3.200 341 HB3 LEU 41 1HB LEU 41 -4.270 6.255 3.144 342 HG LEU 41 HG LEU 41 -5.420 4.396 1.022 343 HD11 LEU 41 1HD1 LEU 41 -5.407 6.374 -0.427 344 HD12 LEU 41 2HD1 LEU 41 -4.819 7.367 0.910 345 HD13 LEU 41 3HD1 LEU 41 -6.419 6.623 0.995 346 HD21 LEU 41 1HD2 LEU 41 -2.696 5.738 1.051 347 HD22 LEU 41 2HD2 LEU 41 -3.408 4.876 -0.317 348 HD23 LEU 41 3HD2 LEU 41 -3.020 4.003 1.162 349 H GLN 42 H GLN 42 -6.014 3.610 5.314 350 HA GLN 42 HA GLN 42 -5.198 4.952 7.657 351 HB2 GLN 42 2HB GLN 42 -7.491 4.171 7.360 352 HB3 GLN 42 1HB GLN 42 -6.969 2.493 7.303 353 HG2 GLN 42 2HG GLN 42 -6.308 2.612 9.679 354 HG3 GLN 42 1HG GLN 42 -6.787 4.307 9.733 355 HE21 GLN 42 1HE2 GLN 42 -9.005 4.828 9.689 356 HE22 GLN 42 2HE2 GLN 42 -10.221 3.650 10.032 357 H SER 43 H SER 43 -4.648 1.599 6.578 358 HA SER 43 HA SER 43 -3.336 0.712 8.937 359 HB2 SER 43 2HB SER 43 -4.480 -0.710 7.123 360 HB3 SER 43 1HB SER 43 -3.018 -0.500 6.162 361 HG SER 43 HG SER 43 -1.918 -1.372 8.133 362 H ILE 44 H ILE 44 -2.238 2.087 5.883 363 HA ILE 44 HA ILE 44 0.544 1.873 6.119 364 HB ILE 44 HB ILE 44 -1.347 3.631 4.551 365 HG12 ILE 44 2HG1 ILE 44 0.855 1.682 3.740 366 HG13 ILE 44 1HG1 ILE 44 -0.873 1.356 3.752 367 HG21 ILE 44 1HG2 ILE 44 0.486 4.822 3.391 368 HG22 ILE 44 2HG2 ILE 44 1.631 4.178 4.568 369 HG23 ILE 44 3HG2 ILE 44 0.356 5.277 5.091 370 HD11 ILE 44 1HD1 ILE 44 0.567 3.283 1.929 371 HD12 ILE 44 2HD1 ILE 44 -1.179 3.000 1.950 372 HD13 ILE 44 3HD1 ILE 44 -0.075 1.694 1.511 373 H GLU 45 H GLU 45 -1.545 4.672 6.982 374 HA GLU 45 HA GLU 45 0.605 6.217 8.035 375 HB2 GLU 45 2HB GLU 45 -1.144 7.751 8.889 376 HB3 GLU 45 1HB GLU 45 -1.408 7.325 7.203 377 HG2 GLU 45 2HG GLU 45 -3.145 5.707 7.882 378 HG3 GLU 45 1HG GLU 45 -2.878 6.130 9.572 379 H THR 46 H THR 46 -1.688 3.927 9.529 380 HA THR 46 HA THR 46 -1.105 4.716 12.215 381 HB THR 46 HB THR 46 -3.272 3.569 11.490 382 HG1 THR 46 HG1 THR 46 -2.299 3.792 13.735 383 HG21 THR 46 1HG2 THR 46 -3.369 1.106 11.619 384 HG22 THR 46 2HG2 THR 46 -1.615 1.039 11.792 385 HG23 THR 46 3HG2 THR 46 -2.328 1.620 10.291 386 H VAL 47 H VAL 47 0.272 2.221 10.042 387 HA VAL 47 HA VAL 47 1.975 1.150 12.127 388 HB VAL 47 HB VAL 47 1.309 -0.086 9.933 389 HG11 VAL 47 1HG1 VAL 47 2.889 0.120 8.045 390 HG12 VAL 47 2HG1 VAL 47 3.681 1.473 8.850 391 HG13 VAL 47 3HG1 VAL 47 2.007 1.624 8.315 392 HG21 VAL 47 1HG2 VAL 47 2.868 -1.026 11.588 393 HG22 VAL 47 2HG2 VAL 47 4.207 -0.145 10.838 394 HG23 VAL 47 3HG2 VAL 47 3.381 -1.421 9.942 395 H MET 48 H MET 48 2.203 3.738 9.732 396 HA MET 48 HA MET 48 5.031 4.194 10.085 397 HB2 MET 48 2HB MET 48 3.779 4.687 7.968 398 HB3 MET 48 1HB MET 48 2.948 6.001 8.788 399 HG2 MET 48 2HG MET 48 4.960 7.283 8.958 400 HG3 MET 48 1HG MET 48 5.962 5.893 8.542 401 HE1 MET 48 1HE MET 48 6.230 4.912 6.103 402 HE2 MET 48 2HE MET 48 5.294 5.471 4.715 403 HE3 MET 48 3HE MET 48 4.492 4.601 6.023 404 H GLU 49 H GLU 49 2.195 5.123 11.853 405 HA GLU 49 HA GLU 49 3.389 7.209 13.415 406 HB2 GLU 49 2HB GLU 49 1.122 5.283 14.083 407 HB3 GLU 49 1HB GLU 49 1.619 6.611 15.126 408 HG2 GLU 49 2HG GLU 49 1.031 8.229 13.340 409 HG3 GLU 49 1HG GLU 49 0.500 6.893 12.321 410 H LYS 50 H LYS 50 3.760 3.776 13.342 411 HA LYS 50 HA LYS 50 5.061 3.639 15.980 412 HB2 LYS 50 2HB LYS 50 3.292 1.971 15.458 413 HB3 LYS 50 1HB LYS 50 4.192 1.447 14.046 414 HG2 LYS 50 2HG LYS 50 4.498 -0.203 15.727 415 HG3 LYS 50 1HG LYS 50 6.029 0.651 15.582 416 HD2 LYS 50 2HD LYS 50 4.019 1.393 17.737 417 HD3 LYS 50 1HD LYS 50 5.117 0.033 17.955 418 HE2 LYS 50 2HE LYS 50 7.047 1.566 17.644 419 HE3 LYS 50 1HE LYS 50 5.929 2.922 17.495 420 HZ1 LYS 50 1HZ LYS 50 6.212 1.175 19.880 421 HZ2 LYS 50 2HZ LYS 50 5.162 2.492 19.747 422 HZ3 LYS 50 3HZ LYS 50 6.833 2.738 19.732 423 H GLN 51 H GLN 51 7.000 4.719 15.411 424 HA GLN 51 HA GLN 51 8.900 3.432 13.612 425 HB2 GLN 51 2HB GLN 51 9.036 5.851 15.441 426 HB3 GLN 51 1HB GLN 51 10.522 5.125 14.854 427 HG2 GLN 51 2HG GLN 51 9.979 7.002 13.462 428 HG3 GLN 51 1HG GLN 51 9.781 5.522 12.526 429 HE21 GLN 51 1HE2 GLN 51 8.495 6.670 11.049 430 HE22 GLN 51 2HE2 GLN 51 6.854 7.063 11.397 431 H THR 52 H THR 52 9.489 1.429 14.341 432 HA THR 52 HA THR 52 10.338 0.923 17.070 433 HB THR 52 HB THR 52 11.188 -1.268 16.067 434 HG1 THR 52 HG1 THR 52 11.486 -0.531 13.916 435 HG21 THR 52 1HG2 THR 52 8.939 -1.133 17.077 436 HG22 THR 52 2HG2 THR 52 8.955 -2.232 15.695 437 HG23 THR 52 3HG2 THR 52 8.272 -0.614 15.526 438 HA PRO 53 HA PRO 53 14.528 2.533 16.652 439 HB2 PRO 53 2HB PRO 53 15.971 0.786 18.272 440 HB3 PRO 53 1HB PRO 53 14.909 2.064 18.901 441 HG2 PRO 53 2HG PRO 53 14.297 -0.856 18.507 442 HG3 PRO 53 1HG PRO 53 13.958 0.181 19.914 443 HD2 PRO 53 2HD PRO 53 12.021 -0.382 18.152 444 HD3 PRO 53 1HD PRO 53 12.143 1.245 18.866 445 HA PRO 54 HA PRO 54 16.942 0.444 13.384 446 HB2 PRO 54 2HB PRO 54 19.290 1.279 15.112 447 HB3 PRO 54 1HB PRO 54 19.063 1.463 13.355 448 HG2 PRO 54 2HG PRO 54 18.702 3.571 14.903 449 HG3 PRO 54 1HG PRO 54 17.542 3.240 13.593 450 HD2 PRO 54 2HD PRO 54 17.227 2.758 16.551 451 HD3 PRO 54 1HD PRO 54 16.039 3.355 15.369 452 H GLY 55 H GLY 55 18.104 -0.087 16.714 453 HA2 GLY 55 2HA GLY 55 18.978 -2.798 16.215 454 HA3 GLY 55 1HA GLY 55 18.910 -1.981 17.767 455 H ILE 56 H ILE 56 16.483 -2.897 15.308 456 HA ILE 56 HA ILE 56 14.568 -3.824 17.266 457 HB ILE 56 HB ILE 56 13.902 -2.722 15.112 458 HG12 ILE 56 2HG1 ILE 56 12.088 -4.360 14.422 459 HG13 ILE 56 1HG1 ILE 56 12.844 -5.557 15.468 460 HG21 ILE 56 1HG2 ILE 56 14.014 -3.909 12.960 461 HG22 ILE 56 2HG2 ILE 56 14.879 -5.238 13.734 462 HG23 ILE 56 3HG2 ILE 56 15.629 -3.644 13.630 463 HD11 ILE 56 1HD1 ILE 56 11.762 -2.908 16.423 464 HD12 ILE 56 2HD1 ILE 56 12.333 -4.252 17.420 465 HD13 ILE 56 3HD1 ILE 56 10.874 -4.430 16.439 466 H THR 57 H THR 57 13.970 -6.055 17.627 467 HA THR 57 HA THR 57 16.128 -7.912 17.582 468 HB THR 57 HB THR 57 14.457 -8.012 19.383 469 HG1 THR 57 HG1 THR 57 14.950 -10.050 19.527 470 HG21 THR 57 1HG2 THR 57 12.410 -7.473 18.131 471 HG22 THR 57 2HG2 THR 57 12.221 -8.985 19.024 472 HG23 THR 57 3HG2 THR 57 12.511 -9.017 17.282 473 H ARG 58 H ARG 58 16.127 -10.057 16.613 474 HA ARG 58 HA ARG 58 16.129 -9.876 13.818 475 HB2 ARG 58 2HB ARG 58 17.590 -11.417 15.201 476 HB3 ARG 58 1HB ARG 58 16.183 -12.433 15.485 477 HG2 ARG 58 2HG ARG 58 17.390 -13.501 13.743 478 HG3 ARG 58 1HG ARG 58 16.020 -12.724 12.951 479 HD2 ARG 58 2HD ARG 58 17.695 -10.746 12.511 480 HD3 ARG 58 1HD ARG 58 18.941 -11.938 12.893 481 HE ARG 58 HE ARG 58 16.937 -12.493 10.812 482 HH11 ARG 58 1HH1 ARG 58 20.340 -12.032 11.608 483 HH12 ARG 58 2HH1 ARG 58 20.896 -12.554 10.050 484 HH21 ARG 58 1HH2 ARG 58 17.645 -13.084 8.771 485 HH22 ARG 58 2HH2 ARG 58 19.350 -13.156 8.425 486 H SER 59 H SER 59 13.788 -11.415 16.019 487 HA SER 59 HA SER 59 12.189 -12.826 14.245 488 HB2 SER 59 2HB SER 59 11.331 -11.351 16.769 489 HB3 SER 59 1HB SER 59 10.433 -12.658 15.987 490 HG SER 59 HG SER 59 12.319 -13.979 16.345 491 H ILE 60 H ILE 60 11.676 -9.507 15.434 492 HA ILE 60 HA ILE 60 9.407 -8.946 13.808 493 HB ILE 60 HB ILE 60 11.273 -6.959 15.196 494 HG12 ILE 60 2HG1 ILE 60 8.684 -8.203 16.241 495 HG13 ILE 60 1HG1 ILE 60 10.303 -8.603 16.803 496 HG21 ILE 60 1HG2 ILE 60 9.356 -5.392 15.107 497 HG22 ILE 60 2HG2 ILE 60 8.416 -6.589 14.216 498 HG23 ILE 60 3HG2 ILE 60 9.857 -5.880 13.487 499 HD11 ILE 60 1HD1 ILE 60 9.208 -7.120 18.355 500 HD12 ILE 60 2HD1 ILE 60 8.935 -5.927 17.087 501 HD13 ILE 60 3HD1 ILE 60 10.580 -6.302 17.612 502 H GLN 61 H GLN 61 12.904 -8.343 13.497 503 HA GLN 61 HA GLN 61 13.004 -6.579 11.354 504 HB2 GLN 61 2HB GLN 61 15.022 -7.228 12.632 505 HB3 GLN 61 1HB GLN 61 14.903 -8.874 12.015 506 HG2 GLN 61 2HG GLN 61 15.224 -7.862 9.671 507 HG3 GLN 61 1HG GLN 61 15.657 -6.364 10.493 508 HE21 GLN 61 1HE2 GLN 61 16.609 -9.652 9.825 509 HE22 GLN 61 2HE2 GLN 61 18.253 -9.502 10.335 510 H ASP 62 H ASP 62 13.049 -10.155 11.274 511 HA ASP 62 HA ASP 62 13.149 -10.292 8.409 512 HB2 ASP 62 2HB ASP 62 12.812 -12.436 10.549 513 HB3 ASP 62 1HB ASP 62 12.894 -12.804 8.831 514 H MET 63 H MET 63 10.562 -10.954 10.838 515 HA MET 63 HA MET 63 8.618 -11.867 8.997 516 HB2 MET 63 2HB MET 63 8.281 -10.593 11.736 517 HB3 MET 63 1HB MET 63 6.900 -11.107 10.776 518 HG2 MET 63 2HG MET 63 7.840 -13.414 10.741 519 HG3 MET 63 1HG MET 63 9.116 -12.874 11.833 520 HE1 MET 63 1HE MET 63 7.621 -10.904 13.820 521 HE2 MET 63 2HE MET 63 8.705 -12.183 14.370 522 HE3 MET 63 3HE MET 63 7.101 -12.017 15.084 523 H VAL 64 H VAL 64 9.150 -8.616 10.316 524 HA VAL 64 HA VAL 64 7.130 -7.320 8.802 525 HB VAL 64 HB VAL 64 9.512 -6.303 10.387 526 HG11 VAL 64 1HG1 VAL 64 8.640 -3.991 10.138 527 HG12 VAL 64 2HG1 VAL 64 7.502 -4.577 8.921 528 HG13 VAL 64 3HG1 VAL 64 9.239 -4.660 8.619 529 HG21 VAL 64 1HG2 VAL 64 7.783 -5.506 11.954 530 HG22 VAL 64 2HG2 VAL 64 7.595 -7.235 11.651 531 HG23 VAL 64 3HG2 VAL 64 6.516 -6.081 10.863 532 H ALA 65 H ALA 65 10.619 -7.866 8.186 533 HA ALA 65 HA ALA 65 10.858 -6.283 5.846 534 HB1 ALA 65 1HB ALA 65 12.387 -8.823 6.523 535 HB2 ALA 65 2HB ALA 65 12.834 -7.189 7.015 536 HB3 ALA 65 3HB ALA 65 12.844 -7.625 5.305 537 H GLY 66 H GLY 66 9.658 -9.558 6.400 538 HA2 GLY 66 2HA GLY 66 9.271 -10.340 3.685 539 HA3 GLY 66 1HA GLY 66 8.447 -11.006 5.087 540 H TYR 67 H TYR 67 7.138 -8.797 6.102 541 HA TYR 67 HA TYR 67 4.841 -8.569 4.429 542 HB2 TYR 67 2HB TYR 67 5.597 -6.885 6.852 543 HB3 TYR 67 1HB TYR 67 3.995 -6.982 6.131 544 HD1 TYR 67 HD1 TYR 67 5.163 -7.671 9.054 545 HD2 TYR 67 HD2 TYR 67 3.838 -10.003 5.720 546 HE1 TYR 67 HE1 TYR 67 4.555 -9.498 10.576 547 HE2 TYR 67 HE2 TYR 67 3.231 -11.834 7.249 548 HH TYR 67 HH TYR 67 2.976 -11.460 10.590 549 H ILE 68 H ILE 68 7.680 -6.628 4.876 550 HA ILE 68 HA ILE 68 6.782 -4.213 3.625 551 HB ILE 68 HB ILE 68 9.459 -5.243 4.607 552 HG12 ILE 68 2HG1 ILE 68 7.815 -2.769 5.289 553 HG13 ILE 68 1HG1 ILE 68 7.913 -4.240 6.250 554 HG21 ILE 68 1HG2 ILE 68 9.186 -2.710 2.967 555 HG22 ILE 68 2HG2 ILE 68 10.085 -4.158 2.510 556 HG23 ILE 68 3HG2 ILE 68 10.620 -3.186 3.882 557 HD11 ILE 68 1HD1 ILE 68 9.253 -2.510 7.236 558 HD12 ILE 68 2HD1 ILE 68 10.148 -2.281 5.734 559 HD13 ILE 68 3HD1 ILE 68 10.305 -3.791 6.637 560 H LYS 69 H LYS 69 8.782 -7.011 2.630 561 HA LYS 69 HA LYS 69 9.205 -6.233 -0.044 562 HB2 LYS 69 2HB LYS 69 10.512 -8.064 0.923 563 HB3 LYS 69 1HB LYS 69 9.062 -9.023 1.182 564 HG2 LYS 69 2HG LYS 69 10.409 -9.801 -0.762 565 HG3 LYS 69 1HG LYS 69 8.762 -9.341 -1.203 566 HD2 LYS 69 2HD LYS 69 9.658 -7.107 -1.972 567 HD3 LYS 69 1HD LYS 69 11.293 -7.695 -1.654 568 HE2 LYS 69 2HE LYS 69 11.106 -9.359 -3.381 569 HE3 LYS 69 1HE LYS 69 9.371 -9.079 -3.550 570 HZ1 LYS 69 1HZ LYS 69 11.439 -7.031 -4.158 571 HZ2 LYS 69 2HZ LYS 69 9.778 -6.940 -4.483 572 HZ3 LYS 69 3HZ LYS 69 10.742 -8.050 -5.315 573 H GLN 70 H GLN 70 6.588 -8.067 1.505 574 HA GLN 70 HA GLN 70 5.055 -8.730 -0.735 575 HB2 GLN 70 2HB GLN 70 4.298 -8.188 2.153 576 HB3 GLN 70 1HB GLN 70 3.072 -8.596 0.961 577 HG2 GLN 70 2HG GLN 70 5.436 -10.355 1.681 578 HG3 GLN 70 1HG GLN 70 3.803 -10.530 2.325 579 HE21 GLN 70 1HE2 GLN 70 5.846 -10.988 -0.470 580 HE22 GLN 70 2HE2 GLN 70 4.711 -11.907 -1.391 581 H THR 71 H THR 71 4.688 -5.863 1.443 582 HA THR 71 HA THR 71 2.517 -4.871 -0.082 583 HB THR 71 HB THR 71 2.704 -4.304 2.292 584 HG1 THR 71 HG1 THR 71 2.641 -2.134 0.433 585 HG21 THR 71 1HG2 THR 71 4.990 -2.449 1.515 586 HG22 THR 71 2HG2 THR 71 5.126 -3.891 2.527 587 HG23 THR 71 3HG2 THR 71 4.183 -2.507 3.086 588 H LEU 72 H LEU 72 5.989 -4.011 -0.080 589 HA LEU 72 HA LEU 72 5.679 -1.749 -1.787 590 HB2 LEU 72 2HB LEU 72 8.117 -3.370 -0.989 591 HB3 LEU 72 1HB LEU 72 8.230 -2.023 -2.110 592 HG LEU 72 HG LEU 72 7.274 -1.818 0.777 593 HD11 LEU 72 1HD1 LEU 72 9.676 -2.268 0.638 594 HD12 LEU 72 2HD1 LEU 72 9.379 -0.619 1.185 595 HD13 LEU 72 3HD1 LEU 72 9.887 -0.916 -0.480 596 HD21 LEU 72 1HD2 LEU 72 7.693 0.356 -1.312 597 HD22 LEU 72 2HD2 LEU 72 7.353 0.632 0.398 598 HD23 LEU 72 3HD2 LEU 72 6.150 -0.157 -0.617 599 H ASP 73 H ASP 73 6.305 -5.197 -2.420 600 HA ASP 73 HA ASP 73 6.936 -4.874 -5.218 601 HB2 ASP 73 2HB ASP 73 7.613 -6.867 -3.742 602 HB3 ASP 73 1HB ASP 73 5.942 -7.410 -3.818 603 H ASN 74 H ASN 74 4.044 -5.856 -3.382 604 HA ASN 74 HA ASN 74 2.257 -6.281 -5.519 605 HB2 ASN 74 2HB ASN 74 1.699 -5.440 -2.640 606 HB3 ASN 74 1HB ASN 74 0.444 -5.934 -3.776 607 HD21 ASN 74 1HD2 ASN 74 1.225 -7.077 -1.203 608 HD22 ASN 74 2HD2 ASN 74 1.590 -8.739 -1.514 609 H GLU 75 H GLU 75 3.049 -3.418 -3.627 610 HA GLU 75 HA GLU 75 1.075 -1.703 -4.821 611 HB2 GLU 75 2HB GLU 75 1.883 -1.451 -2.470 612 HB3 GLU 75 1HB GLU 75 3.470 -0.993 -3.077 613 HG2 GLU 75 2HG GLU 75 2.371 0.962 -4.227 614 HG3 GLU 75 1HG GLU 75 0.870 0.526 -3.415 615 H GLN 76 H GLN 76 4.491 -2.415 -5.365 616 HA GLN 76 HA GLN 76 5.165 -0.378 -7.192 617 HB2 GLN 76 2HB GLN 76 6.830 -1.944 -6.253 618 HB3 GLN 76 1HB GLN 76 6.067 -3.291 -7.082 619 HG2 GLN 76 2HG GLN 76 6.691 -2.200 -9.259 620 HG3 GLN 76 1HG GLN 76 7.584 -0.994 -8.337 621 HE21 GLN 76 1HE2 GLN 76 7.440 -4.454 -7.505 622 HE22 GLN 76 2HE2 GLN 76 9.111 -4.761 -7.816 623 H LEU 77 H LEU 77 3.769 -3.604 -7.655 624 HA LEU 77 HA LEU 77 3.282 -3.370 -10.452 625 HB2 LEU 77 2HB LEU 77 2.227 -5.245 -8.316 626 HB3 LEU 77 1HB LEU 77 1.747 -5.384 -10.000 627 HG LEU 77 HG LEU 77 4.626 -5.611 -9.028 628 HD11 LEU 77 1HD1 LEU 77 2.701 -7.830 -9.788 629 HD12 LEU 77 2HD1 LEU 77 3.291 -7.473 -8.163 630 HD13 LEU 77 3HD1 LEU 77 4.416 -8.023 -9.401 631 HD21 LEU 77 1HD2 LEU 77 3.387 -6.193 -11.740 632 HD22 LEU 77 2HD2 LEU 77 5.069 -6.492 -11.284 633 HD23 LEU 77 3HD2 LEU 77 4.456 -4.842 -11.344 634 H LEU 78 H LEU 78 1.288 -2.660 -7.563 635 HA LEU 78 HA LEU 78 -1.160 -2.089 -8.810 636 HB2 LEU 78 2HB LEU 78 0.106 -1.184 -6.226 637 HB3 LEU 78 1HB LEU 78 -1.353 -0.367 -6.750 638 HG LEU 78 HG LEU 78 -1.194 -3.380 -6.339 639 HD11 LEU 78 1HD1 LEU 78 -2.351 -3.071 -4.220 640 HD12 LEU 78 2HD1 LEU 78 -2.296 -1.312 -4.411 641 HD13 LEU 78 3HD1 LEU 78 -0.800 -2.227 -4.195 642 HD21 LEU 78 1HD2 LEU 78 -3.641 -3.249 -6.397 643 HD22 LEU 78 2HD2 LEU 78 -2.945 -2.633 -7.894 644 HD23 LEU 78 3HD2 LEU 78 -3.562 -1.508 -6.679 645 H LYS 79 H LYS 79 1.258 0.317 -7.741 646 HA LYS 79 HA LYS 79 0.244 2.546 -9.007 647 HB2 LYS 79 2HB LYS 79 3.097 1.868 -8.206 648 HB3 LYS 79 1HB LYS 79 2.631 3.464 -8.802 649 HG2 LYS 79 2HG LYS 79 1.085 3.760 -6.940 650 HG3 LYS 79 1HG LYS 79 1.419 2.128 -6.356 651 HD2 LYS 79 2HD LYS 79 3.479 4.368 -6.528 652 HD3 LYS 79 1HD LYS 79 2.609 3.912 -5.065 653 HE2 LYS 79 2HE LYS 79 3.610 1.531 -5.485 654 HE3 LYS 79 1HE LYS 79 4.737 2.370 -6.553 655 HZ1 LYS 79 1HZ LYS 79 5.320 3.807 -4.645 656 HZ2 LYS 79 2HZ LYS 79 5.695 2.177 -4.392 657 HZ3 LYS 79 3HZ LYS 79 4.336 2.855 -3.644 658 H GLY 80 H GLY 80 2.566 0.170 -10.320 659 HA2 GLY 80 2HA GLY 80 3.147 1.439 -12.764 660 HA3 GLY 80 1HA GLY 80 3.192 -0.293 -12.481 661 H LEU 81 H LEU 81 0.664 -0.969 -11.997 662 HA LEU 81 HA LEU 81 -0.476 -1.138 -14.596 663 HB2 LEU 81 2HB LEU 81 -0.490 -2.935 -12.912 664 HB3 LEU 81 1HB LEU 81 -1.521 -1.987 -11.868 665 HG LEU 81 HG LEU 81 -2.529 -2.816 -14.615 666 HD11 LEU 81 1HD1 LEU 81 -2.630 -4.576 -12.142 667 HD12 LEU 81 2HD1 LEU 81 -1.697 -4.893 -13.607 668 HD13 LEU 81 3HD1 LEU 81 -3.457 -4.881 -13.673 669 HD21 LEU 81 1HD2 LEU 81 -3.924 -1.229 -13.406 670 HD22 LEU 81 2HD2 LEU 81 -3.919 -2.253 -11.970 671 HD23 LEU 81 3HD2 LEU 81 -4.736 -2.795 -13.442 672 H LEU 82 H LEU 82 -1.253 0.757 -11.725 673 HA LEU 82 HA LEU 82 -3.845 1.622 -12.642 674 HB2 LEU 82 2HB LEU 82 -2.164 2.236 -10.196 675 HB3 LEU 82 1HB LEU 82 -3.656 3.109 -10.507 676 HG LEU 82 HG LEU 82 -3.620 0.070 -10.312 677 HD11 LEU 82 1HD1 LEU 82 -4.092 2.004 -8.023 678 HD12 LEU 82 2HD1 LEU 82 -2.692 0.947 -8.211 679 HD13 LEU 82 3HD1 LEU 82 -4.290 0.248 -7.968 680 HD21 LEU 82 1HD2 LEU 82 -5.835 2.119 -9.956 681 HD22 LEU 82 2HD2 LEU 82 -6.001 0.367 -9.807 682 HD23 LEU 82 3HD2 LEU 82 -5.594 1.077 -11.366 683 H GLN 83 H GLN 83 -0.557 2.973 -12.526 684 HA GLN 83 HA GLN 83 -1.270 5.600 -13.407 685 HB2 GLN 83 2HB GLN 83 0.944 5.227 -12.398 686 HB3 GLN 83 1HB GLN 83 1.365 4.080 -13.664 687 HG2 GLN 83 2HG GLN 83 2.447 6.278 -14.001 688 HG3 GLN 83 1HG GLN 83 1.380 5.850 -15.342 689 HE21 GLN 83 1HE2 GLN 83 0.654 7.740 -16.069 690 HE22 GLN 83 2HE2 GLN 83 -0.099 8.985 -15.133 691 H GLN 84 H GLN 84 -0.063 2.689 -15.059 692 HA GLN 84 HA GLN 84 -0.254 3.405 -17.718 693 HB2 GLN 84 2HB GLN 84 0.705 1.280 -16.830 694 HB3 GLN 84 1HB GLN 84 -0.912 0.703 -16.468 695 HG2 GLN 84 2HG GLN 84 -0.016 -0.326 -18.512 696 HG3 GLN 84 1HG GLN 84 -1.454 0.640 -18.860 697 HE21 GLN 84 1HE2 GLN 84 2.060 0.553 -19.099 698 HE22 GLN 84 2HE2 GLN 84 2.184 1.710 -20.377 699 H ARG 85 H ARG 85 -2.814 2.328 -15.513 700 HA ARG 85 HA ARG 85 -4.838 1.989 -17.528 701 HB2 ARG 85 2HB ARG 85 -4.744 0.721 -15.308 702 HB3 ARG 85 1HB ARG 85 -5.273 2.199 -14.514 703 HG2 ARG 85 2HG ARG 85 -7.170 0.694 -14.876 704 HG3 ARG 85 1HG ARG 85 -7.373 2.160 -15.843 705 HD2 ARG 85 2HD ARG 85 -6.659 1.000 -17.854 706 HD3 ARG 85 1HD ARG 85 -6.222 -0.437 -16.925 707 HE ARG 85 HE ARG 85 -8.951 0.080 -16.517 708 HH11 ARG 85 1HH1 ARG 85 -6.814 -0.864 -19.161 709 HH12 ARG 85 2HH1 ARG 85 -8.041 -1.769 -19.998 710 HH21 ARG 85 1HH2 ARG 85 -10.550 -1.150 -17.604 711 HH22 ARG 85 2HH2 ARG 85 -10.164 -1.927 -19.106 712 H LEU 86 H LEU 86 -4.092 4.494 -15.098 713 HA LEU 86 HA LEU 86 -6.365 6.126 -15.701 714 HB2 LEU 86 2HB LEU 86 -3.809 6.703 -14.159 715 HB3 LEU 86 1HB LEU 86 -5.082 7.898 -14.362 716 HG LEU 86 HG LEU 86 -5.431 5.215 -12.955 717 HD11 LEU 86 1HD1 LEU 86 -5.194 7.986 -11.736 718 HD12 LEU 86 2HD1 LEU 86 -3.960 6.724 -11.689 719 HD13 LEU 86 3HD1 LEU 86 -5.495 6.476 -10.868 720 HD21 LEU 86 1HD2 LEU 86 -7.602 6.105 -12.216 721 HD22 LEU 86 2HD2 LEU 86 -7.520 5.984 -13.972 722 HD23 LEU 86 3HD2 LEU 86 -7.351 7.559 -13.190 723 H ASP 87 H ASP 87 -3.188 5.773 -17.048 724 HA ASP 87 HA ASP 87 -3.144 8.215 -18.571 725 HB2 ASP 87 2HB ASP 87 -1.053 6.969 -18.031 726 HB3 ASP 87 1HB ASP 87 -1.615 5.594 -18.972 727 H GLU 88 H GLU 88 -4.079 4.801 -19.185 728 HA GLU 88 HA GLU 88 -5.050 5.029 -21.805 729 HB2 GLU 88 2HB GLU 88 -6.085 3.264 -19.533 730 HB3 GLU 88 1HB GLU 88 -6.620 3.110 -21.205 731 HG2 GLU 88 2HG GLU 88 -4.271 2.604 -21.872 732 HG3 GLU 88 1HG GLU 88 -3.800 2.666 -20.174 733 H LEU 89 H LEU 89 -6.829 5.356 -18.740 734 HA LEU 89 HA LEU 89 -9.334 6.081 -19.735 735 HB2 LEU 89 2HB LEU 89 -8.058 6.617 -17.021 736 HB3 LEU 89 1HB LEU 89 -9.752 6.935 -17.369 737 HG LEU 89 HG LEU 89 -8.457 4.183 -17.553 738 HD11 LEU 89 1HD1 LEU 89 -9.640 3.639 -15.478 739 HD12 LEU 89 2HD1 LEU 89 -10.193 5.312 -15.341 740 HD13 LEU 89 3HD1 LEU 89 -8.470 4.936 -15.236 741 HD21 LEU 89 1HD2 LEU 89 -10.381 4.425 -19.045 742 HD22 LEU 89 2HD2 LEU 89 -11.378 5.000 -17.704 743 HD23 LEU 89 3HD2 LEU 89 -10.760 3.347 -17.705 744 H SER 90 H SER 90 -6.566 8.092 -18.797 745 HA SER 90 HA SER 90 -7.750 10.629 -19.068 746 HB2 SER 90 2HB SER 90 -5.523 10.342 -18.031 747 HB3 SER 90 1HB SER 90 -4.847 9.817 -19.571 748 HG SER 90 HG SER 90 -4.380 11.904 -19.621 749 H SER 91 H SER 91 -6.061 8.530 -21.372 750 HA SER 91 HA SER 91 -6.271 10.255 -23.615 751 HB2 SER 91 2HB SER 91 -4.562 8.441 -23.325 752 HB3 SER 91 1HB SER 91 -5.832 7.248 -23.581 753 HG SER 91 HG SER 91 -4.616 8.996 -25.394 754 H LEU 92 H LEU 92 -8.427 7.761 -22.299 755 HA LEU 92 HA LEU 92 -9.999 7.374 -24.668 756 HB2 LEU 92 2HB LEU 92 -10.773 6.773 -21.779 757 HB3 LEU 92 1HB LEU 92 -11.622 6.200 -23.203 758 HG LEU 92 HG LEU 92 -8.876 5.347 -22.243 759 HD11 LEU 92 1HD1 LEU 92 -9.888 3.118 -22.051 760 HD12 LEU 92 2HD1 LEU 92 -11.449 3.792 -22.530 761 HD13 LEU 92 3HD1 LEU 92 -10.686 4.311 -21.025 762 HD21 LEU 92 1HD2 LEU 92 -8.775 5.504 -24.673 763 HD22 LEU 92 2HD2 LEU 92 -10.231 4.516 -24.825 764 HD23 LEU 92 3HD2 LEU 92 -8.750 3.821 -24.157 765 H ILE 93 H ILE 93 -10.558 9.111 -21.620 766 HA ILE 93 HA ILE 93 -13.082 10.247 -22.343 767 HB ILE 93 HB ILE 93 -11.130 11.010 -20.119 768 HG12 ILE 93 2HG1 ILE 93 -13.611 9.234 -19.971 769 HG13 ILE 93 1HG1 ILE 93 -11.969 8.618 -20.104 770 HG21 ILE 93 1HG2 ILE 93 -13.040 12.082 -18.990 771 HG22 ILE 93 2HG2 ILE 93 -14.074 11.722 -20.372 772 HG23 ILE 93 3HG2 ILE 93 -12.725 12.846 -20.549 773 HD11 ILE 93 1HD1 ILE 93 -12.734 8.489 -17.832 774 HD12 ILE 93 2HD1 ILE 93 -13.089 10.216 -17.805 775 HD13 ILE 93 3HD1 ILE 93 -11.419 9.655 -17.949 776 H GLY 94 H GLY 94 -9.725 11.411 -22.417 777 HA2 GLY 94 2HA GLY 94 -9.869 12.914 -24.686 778 HA3 GLY 94 1HA GLY 94 -10.387 14.035 -23.434 779 H GLN 95 H GLN 95 -7.698 12.556 -24.955 780 HA GLN 95 HA GLN 95 -5.746 12.757 -22.903 781 HB2 GLN 95 2HB GLN 95 -4.075 12.567 -24.830 782 HB3 GLN 95 1HB GLN 95 -5.244 11.263 -24.690 783 HG2 GLN 95 2HG GLN 95 -6.590 12.342 -26.503 784 HG3 GLN 95 1HG GLN 95 -5.313 13.541 -26.685 785 HE21 GLN 95 1HE2 GLN 95 -4.925 12.930 -28.850 786 HE22 GLN 95 2HE2 GLN 95 -4.133 11.449 -29.256 787 H VAL 96 H VAL 96 -5.903 14.759 -21.932 788 HA VAL 96 HA VAL 96 -5.196 17.175 -23.447 789 HB VAL 96 HB VAL 96 -7.010 17.385 -21.782 790 HG11 VAL 96 1HG1 VAL 96 -4.958 16.758 -19.641 791 HG12 VAL 96 2HG1 VAL 96 -6.302 15.721 -20.124 792 HG13 VAL 96 3HG1 VAL 96 -6.623 17.281 -19.361 793 HG21 VAL 96 1HG2 VAL 96 -5.686 19.378 -22.318 794 HG22 VAL 96 2HG2 VAL 96 -4.548 18.999 -21.026 795 HG23 VAL 96 3HG2 VAL 96 -6.212 19.431 -20.632 796 H LEU 97 H LEU 97 -3.940 15.237 -20.711 797 HA LEU 97 HA LEU 97 -1.169 15.782 -21.543 798 HB2 LEU 97 2HB LEU 97 -2.242 16.045 -18.700 799 HB3 LEU 97 1HB LEU 97 -0.566 15.650 -19.002 800 HG LEU 97 HG LEU 97 -0.533 17.945 -18.551 801 HD11 LEU 97 1HD1 LEU 97 0.189 19.066 -20.585 802 HD12 LEU 97 2HD1 LEU 97 -0.551 17.804 -21.572 803 HD13 LEU 97 3HD1 LEU 97 0.805 17.416 -20.512 804 HD21 LEU 97 1HD2 LEU 97 -2.891 18.407 -20.393 805 HD22 LEU 97 2HD2 LEU 97 -2.011 19.650 -19.499 806 HD23 LEU 97 3HD2 LEU 97 -2.921 18.418 -18.629 807 H PHE 98 H PHE 98 0.298 14.175 -20.424 808 HA PHE 98 HA PHE 98 -0.927 11.483 -20.462 809 HB2 PHE 98 2HB PHE 98 1.391 10.725 -21.272 810 HB3 PHE 98 1HB PHE 98 0.413 11.627 -22.414 811 HD1 PHE 98 HD1 PHE 98 3.626 11.460 -20.779 812 HD2 PHE 98 HD2 PHE 98 0.936 14.155 -22.734 813 HE1 PHE 98 HE1 PHE 98 5.474 13.039 -21.170 814 HE2 PHE 98 HE2 PHE 98 2.793 15.729 -23.111 815 HZ PHE 98 HZ PHE 98 5.060 15.168 -22.331 816 H GLN 99 H GLN 99 1.852 13.306 -19.110 817 HA GLN 99 HA GLN 99 2.047 11.584 -16.779 818 HB2 GLN 99 2HB GLN 99 3.337 14.275 -17.406 819 HB3 GLN 99 1HB GLN 99 3.696 13.316 -15.972 820 HG2 GLN 99 2HG GLN 99 4.604 11.527 -17.355 821 HG3 GLN 99 1HG GLN 99 4.152 12.400 -18.818 822 HE21 GLN 99 1HE2 GLN 99 6.295 12.437 -19.558 823 HE22 GLN 99 2HE2 GLN 99 7.498 13.458 -18.850 824 H GLY 100 H GLY 100 1.303 12.013 -14.748 825 HA2 GLY 100 2HA GLY 100 0.525 14.154 -13.377 826 HA3 GLY 100 1HA GLY 100 -0.868 13.950 -14.433 827 HA PRO 101 HA PRO 101 -0.830 10.018 -11.575 828 HB2 PRO 101 2HB PRO 101 1.253 10.294 -9.524 829 HB3 PRO 101 1HB PRO 101 1.092 9.048 -10.775 830 HG2 PRO 101 2HG PRO 101 3.100 10.918 -10.753 831 HG3 PRO 101 1HG PRO 101 2.508 10.117 -12.225 832 HD2 PRO 101 2HD PRO 101 1.847 12.860 -11.175 833 HD3 PRO 101 1HD PRO 101 2.154 12.335 -12.847 834 H SER 102 H SER 102 -0.742 13.233 -10.643 835 HA SER 102 HA SER 102 -2.711 12.765 -8.519 836 HB2 SER 102 2HB SER 102 -0.301 14.596 -8.214 837 HB3 SER 102 1HB SER 102 -1.644 14.477 -7.070 838 HG SER 102 HG SER 102 -1.004 12.069 -7.242 839 H ALA 103 H ALA 103 -2.362 13.931 -11.420 840 HA ALA 103 HA ALA 103 -3.586 16.583 -11.034 841 HB1 ALA 103 1HB ALA 103 -1.691 16.472 -12.587 842 HB2 ALA 103 2HB ALA 103 -3.171 16.884 -13.458 843 HB3 ALA 103 3HB ALA 103 -2.521 15.245 -13.548 844 H GLY 104 H GLY 104 -5.727 16.871 -11.335 845 HA2 GLY 104 2HA GLY 104 -7.510 14.734 -12.162 846 HA3 GLY 104 1HA GLY 104 -7.963 16.365 -11.679 847 H LEU 105 H LEU 105 -6.486 14.509 -14.289 848 HA LEU 105 HA LEU 105 -6.372 16.549 -16.234 849 HB2 LEU 105 2HB LEU 105 -6.398 13.526 -16.604 850 HB3 LEU 105 1HB LEU 105 -5.947 14.684 -17.850 851 HG LEU 105 HG LEU 105 -4.452 14.231 -15.230 852 HD11 LEU 105 1HD1 LEU 105 -2.661 13.296 -16.593 853 HD12 LEU 105 2HD1 LEU 105 -3.628 13.509 -18.056 854 HD13 LEU 105 3HD1 LEU 105 -4.152 12.378 -16.803 855 HD21 LEU 105 1HD2 LEU 105 -4.294 16.572 -15.907 856 HD22 LEU 105 2HD2 LEU 105 -3.768 16.097 -17.525 857 HD23 LEU 105 3HD2 LEU 105 -2.748 15.758 -16.123 858 H VAL 106 H VAL 106 -8.964 14.377 -15.339 859 HA VAL 106 HA VAL 106 -10.688 15.305 -17.527 860 HB VAL 106 HB VAL 106 -12.379 13.769 -16.675 861 HG11 VAL 106 1HG1 VAL 106 -10.683 12.786 -18.121 862 HG12 VAL 106 2HG1 VAL 106 -11.189 11.604 -16.915 863 HG13 VAL 106 3HG1 VAL 106 -9.643 12.440 -16.735 864 HG21 VAL 106 1HG2 VAL 106 -10.530 13.200 -14.322 865 HG22 VAL 106 2HG2 VAL 106 -12.034 12.342 -14.678 866 HG23 VAL 106 3HG2 VAL 106 -12.076 14.053 -14.257 867 HA PRO 107 HA PRO 107 -12.268 18.688 -14.999 868 HB2 PRO 107 2HB PRO 107 -14.707 19.151 -16.204 869 HB3 PRO 107 1HB PRO 107 -13.159 19.605 -16.946 870 HG2 PRO 107 2HG PRO 107 -14.861 17.193 -17.486 871 HG3 PRO 107 1HG PRO 107 -14.024 18.255 -18.641 872 HD2 PRO 107 2HD PRO 107 -13.009 15.840 -17.896 873 HD3 PRO 107 1HD PRO 107 -11.962 17.217 -18.307 874 H ARG 108 H ARG 108 -12.850 18.310 -12.928 875 HA ARG 108 HA ARG 108 -14.967 16.461 -12.188 876 HB2 ARG 108 2HB ARG 108 -14.355 17.018 -9.844 877 HB3 ARG 108 1HB ARG 108 -12.983 16.478 -10.799 878 HG2 ARG 108 2HG ARG 108 -12.240 18.827 -11.048 879 HG3 ARG 108 1HG ARG 108 -13.593 19.350 -10.041 880 HD2 ARG 108 2HD ARG 108 -11.506 19.220 -8.737 881 HD3 ARG 108 1HD ARG 108 -12.701 18.069 -8.143 882 HE ARG 108 HE ARG 108 -11.435 16.300 -9.275 883 HH11 ARG 108 1HH1 ARG 108 -9.705 19.319 -8.681 884 HH12 ARG 108 2HH1 ARG 108 -8.143 18.567 -8.753 885 HH21 ARG 108 1HH2 ARG 108 -9.386 15.344 -9.364 886 HH22 ARG 108 2HH2 ARG 108 -7.958 16.309 -9.140 887 H GLY 109 H GLY 109 -16.624 17.240 -10.511 888 HA2 GLY 109 2HA GLY 109 -18.561 18.431 -10.189 889 HA3 GLY 109 1HA GLY 109 -17.776 19.843 -10.887 890 H SER 110 H SER 110 -18.360 16.636 -12.280 891 HA SER 110 HA SER 110 -20.142 17.730 -14.339 892 HB2 SER 110 2HB SER 110 -17.837 17.839 -15.254 893 HB3 SER 110 1HB SER 110 -17.617 16.120 -14.929 894 HG SER 110 HG SER 110 -18.292 16.010 -16.929 895 H GLY 111 H GLY 111 -18.666 14.737 -12.946 896 HA2 GLY 111 2HA GLY 111 -21.153 13.267 -13.213 897 HA3 GLY 111 1HA GLY 111 -19.944 12.800 -14.401 898 H GLY 112 H GLY 112 -19.355 10.782 -13.738 899 HA2 GLY 112 2HA GLY 112 -18.769 10.281 -10.873 900 HA3 GLY 112 1HA GLY 112 -19.232 9.065 -12.052 901 H ILE 113 H ILE 113 -17.307 10.295 -14.055 902 HA ILE 113 HA ILE 113 -15.077 8.651 -13.665 903 HB ILE 113 HB ILE 113 -13.902 10.103 -15.411 904 HG12 ILE 113 2HG1 ILE 113 -16.534 11.658 -15.442 905 HG13 ILE 113 1HG1 ILE 113 -15.021 12.271 -14.789 906 HG21 ILE 113 1HG2 ILE 113 -16.690 9.155 -16.118 907 HG22 ILE 113 2HG2 ILE 113 -15.237 8.156 -16.061 908 HG23 ILE 113 3HG2 ILE 113 -15.377 9.441 -17.263 909 HD11 ILE 113 1HD1 ILE 113 -15.560 11.578 -17.677 910 HD12 ILE 113 2HD1 ILE 113 -14.017 12.141 -17.026 911 HD13 ILE 113 3HD1 ILE 113 -15.432 13.189 -16.971 912 H GLU 114 H GLU 114 -15.630 11.995 -12.756 913 HA GLU 114 HA GLU 114 -13.102 12.843 -11.954 914 HB2 GLU 114 2HB GLU 114 -14.297 14.521 -10.623 915 HB3 GLU 114 1HB GLU 114 -15.052 14.331 -12.204 916 HG2 GLU 114 2HG GLU 114 -16.846 12.990 -11.235 917 HG3 GLU 114 1HG GLU 114 -16.069 13.042 -9.652 918 H GLY 115 H GLY 115 -15.561 10.954 -10.224 919 HA2 GLY 115 2HA GLY 115 -14.480 11.055 -7.618 920 HA3 GLY 115 1HA GLY 115 -15.559 9.816 -8.250 921 H MET1001 H MET 1 -14.364 8.464 -10.058 922 HA MET1001 HA MET 1 -12.609 6.748 -8.747 923 HB2 MET1001 2HB MET 1 -14.013 6.052 -10.654 924 HB3 MET1001 1HB MET 1 -13.089 7.080 -11.737 925 HG2 MET1001 2HG MET 1 -11.084 5.675 -11.335 926 HG3 MET1001 1HG MET 1 -12.043 4.635 -10.282 927 HE1 MET1001 1HE MET 1 -12.925 5.080 -14.812 928 HE2 MET1001 2HE MET 1 -11.631 5.968 -14.008 929 HE3 MET1001 3HE MET 1 -13.319 6.329 -13.632 930 H THR1002 H THR 2 -11.865 9.364 -11.088 931 HA THR1002 HA THR 2 -9.088 8.726 -11.311 932 HB THR1002 HB THR 2 -8.883 11.010 -12.406 933 HG1 THR1002 HG1 THR 2 -11.622 11.293 -12.598 934 HG21 THR1002 1HG2 THR 2 -10.176 10.411 -14.417 935 HG22 THR1002 2HG2 THR 2 -11.093 9.221 -13.488 936 HG23 THR1002 3HG2 THR 2 -9.359 8.995 -13.752 937 H THR1003 H THR 3 -10.766 11.432 -9.605 938 HA THR1003 HA THR 3 -8.488 12.638 -8.503 939 HB THR1003 HB THR 3 -11.341 12.628 -7.430 940 HG1 THR1003 HG1 THR 3 -11.194 13.458 -9.521 941 HG21 THR1003 1HG2 THR 3 -9.099 14.598 -6.816 942 HG22 THR1003 2HG2 THR 3 -9.768 13.429 -5.677 943 HG23 THR1003 3HG2 THR 3 -10.777 14.742 -6.285 944 H ARG1004 H ARG 4 -10.596 10.096 -7.180 945 HA ARG1004 HA ARG 4 -9.350 9.754 -4.677 946 HB2 ARG1004 2HB ARG 4 -10.953 7.827 -6.400 947 HB3 ARG1004 1HB ARG 4 -10.374 7.401 -4.792 948 HG2 ARG1004 2HG ARG 4 -11.722 9.162 -3.786 949 HG3 ARG1004 1HG ARG 4 -12.225 9.733 -5.379 950 HD2 ARG1004 2HD ARG 4 -13.393 7.601 -5.784 951 HD3 ARG1004 1HD ARG 4 -12.858 6.999 -4.214 952 HE ARG1004 HE ARG 4 -14.533 9.420 -4.386 953 HH11 ARG1004 1HH1 ARG 4 -14.190 6.084 -3.279 954 HH12 ARG1004 2HH1 ARG 4 -15.611 6.142 -2.286 955 HH21 ARG1004 1HH2 ARG 4 -16.370 9.489 -3.081 956 HH22 ARG1004 2HH2 ARG 4 -16.853 8.090 -2.175 957 H LEU1005 H LEU 5 -8.861 7.960 -7.772 958 HA LEU1005 HA LEU 5 -6.807 6.278 -6.748 959 HB2 LEU1005 2HB LEU 5 -7.726 6.860 -9.576 960 HB3 LEU1005 1HB LEU 5 -6.334 5.835 -9.274 961 HG LEU1005 HG LEU 5 -9.197 5.269 -8.399 962 HD11 LEU1005 1HD1 LEU 5 -9.049 3.379 -9.977 963 HD12 LEU1005 2HD1 LEU 5 -7.434 3.912 -10.466 964 HD13 LEU1005 3HD1 LEU 5 -8.841 4.931 -10.789 965 HD21 LEU1005 1HD2 LEU 5 -6.708 3.583 -7.933 966 HD22 LEU1005 2HD2 LEU 5 -8.371 3.102 -7.582 967 HD23 LEU1005 3HD2 LEU 5 -7.637 4.435 -6.696 968 H THR1006 H THR 6 -6.648 9.488 -8.187 969 HA THR1006 HA THR 6 -3.818 9.386 -8.753 970 HB THR1006 HB THR 6 -4.019 11.899 -9.035 971 HG1 THR1006 HG1 THR 6 -6.784 11.433 -8.615 972 HG21 THR1006 1HG2 THR 6 -5.374 11.819 -11.098 973 HG22 THR1006 2HG2 THR 6 -6.020 10.250 -10.613 974 HG23 THR1006 3HG2 THR 6 -4.302 10.420 -10.984 975 H ARG1007 H ARG 7 -5.847 10.850 -6.174 976 HA ARG1007 HA ARG 7 -3.703 11.738 -4.528 977 HB2 ARG1007 2HB ARG 7 -6.046 12.532 -4.232 978 HB3 ARG1007 1HB ARG 7 -6.522 10.918 -3.712 979 HG2 ARG1007 2HG ARG 7 -4.966 11.118 -1.763 980 HG3 ARG1007 1HG ARG 7 -4.594 12.767 -2.264 981 HD2 ARG1007 2HD ARG 7 -6.942 13.423 -1.898 982 HD3 ARG1007 1HD ARG 7 -7.345 11.760 -1.457 983 HE ARG1007 HE ARG 7 -6.079 11.986 0.531 984 HH11 ARG1007 1HH1 ARG 7 -6.401 15.040 -1.198 985 HH12 ARG1007 2HH1 ARG 7 -5.982 16.002 0.184 986 HH21 ARG1007 1HH2 ARG 7 -5.443 13.240 2.296 987 HH22 ARG1007 2HH2 ARG 7 -5.437 14.968 2.167 988 H TRP1008 H TRP 8 -5.316 8.674 -4.936 989 HA TRP1008 HA TRP 8 -4.225 7.214 -2.775 990 HB2 TRP1008 2HB TRP 8 -6.097 6.188 -3.700 991 HB3 TRP1008 1HB TRP 8 -5.663 6.614 -5.334 992 HD1 TRP1008 HD1 TRP 8 -4.193 4.862 -6.720 993 HE1 TRP1008 HE1 TRP 8 -3.822 2.354 -6.389 994 HE3 TRP1008 HE3 TRP 8 -5.691 4.409 -1.862 995 HZ2 TRP1008 HZ2 TRP 8 -4.146 0.412 -4.403 996 HZ3 TRP1008 HZ3 TRP 8 -5.648 2.186 -0.818 997 HH2 TRP1008 HH2 TRP 8 -4.886 0.231 -2.065 998 H LEU1009 H LEU 9 -3.157 7.599 -6.211 999 HA LEU1009 HA LEU 9 -0.901 5.892 -6.000 1000 HB2 LEU1009 2HB LEU 9 -1.460 8.152 -7.965 1001 HB3 LEU1009 1HB LEU 9 -0.049 7.114 -8.080 1002 HG LEU1009 HG LEU 9 -2.951 6.253 -8.410 1003 HD11 LEU1009 1HD1 LEU 9 -2.325 5.754 -10.720 1004 HD12 LEU1009 2HD1 LEU 9 -0.685 6.346 -10.420 1005 HD13 LEU1009 3HD1 LEU 9 -2.057 7.455 -10.339 1006 HD21 LEU1009 1HD2 LEU 9 -0.474 4.504 -8.532 1007 HD22 LEU1009 2HD2 LEU 9 -2.120 4.012 -8.946 1008 HD23 LEU1009 3HD2 LEU 9 -1.728 4.455 -7.287 1009 H THR1010 H THR 10 -1.284 9.393 -5.312 1010 HA THR1010 HA THR 10 1.559 9.736 -4.819 1011 HB THR1010 HB THR 10 0.186 11.656 -5.577 1012 HG1 THR1010 HG1 THR 10 1.745 11.811 -3.221 1013 HG21 THR1010 1HG2 THR 10 -1.159 12.949 -3.968 1014 HG22 THR1010 2HG2 THR 10 -0.942 11.676 -2.763 1015 HG23 THR1010 3HG2 THR 10 -1.846 11.347 -4.240 1016 H ALA1011 H ALA 11 -1.225 8.835 -2.875 1017 HA ALA1011 HA ALA 11 0.018 9.165 -0.308 1018 HB1 ALA1011 1HB ALA 11 -1.828 7.758 0.531 1019 HB2 ALA1011 2HB ALA 11 -2.281 7.351 -1.127 1020 HB3 ALA1011 3HB ALA 11 -2.431 9.014 -0.555 1021 H LEU1012 H LEU 12 -0.168 6.571 -2.691 1022 HA LEU1012 HA LEU 12 1.188 4.553 -1.193 1023 HB2 LEU1012 2HB LEU 12 0.914 4.814 -4.216 1024 HB3 LEU1012 1HB LEU 12 1.400 3.372 -3.349 1025 HG LEU1012 HG LEU 12 -1.354 4.595 -3.556 1026 HD11 LEU1012 1HD1 LEU 12 -0.722 3.113 -5.357 1027 HD12 LEU1012 2HD1 LEU 12 -1.973 2.363 -4.374 1028 HD13 LEU1012 3HD1 LEU 12 -0.296 1.840 -4.211 1029 HD21 LEU1012 1HD2 LEU 12 -0.537 2.452 -1.584 1030 HD22 LEU1012 2HD2 LEU 12 -2.195 2.928 -1.962 1031 HD23 LEU1012 3HD2 LEU 12 -1.103 4.080 -1.201 1032 H ASP1013 H ASP 13 2.117 7.048 -3.494 1033 HA ASP1013 HA ASP 13 4.842 6.351 -3.858 1034 HB2 ASP1013 2HB ASP 13 3.579 7.800 -5.431 1035 HB3 ASP1013 1HB ASP 13 3.422 9.039 -4.193 1036 H ASN1014 H ASN 14 3.155 8.535 -1.621 1037 HA ASN1014 HA ASN 14 5.438 9.641 -0.333 1038 HB2 ASN1014 2HB ASN 14 3.191 10.730 -0.290 1039 HB3 ASN1014 1HB ASN 14 2.573 9.413 0.698 1040 HD21 ASN1014 1HD2 ASN 14 2.022 10.876 2.355 1041 HD22 ASN1014 2HD2 ASN 14 3.213 11.595 3.383 1042 H PHE1015 H PHE 15 3.254 6.920 0.420 1043 HA PHE1015 HA PHE 15 4.365 6.015 2.815 1044 HB2 PHE1015 2HB PHE 15 2.303 5.038 2.124 1045 HB3 PHE1015 1HB PHE 15 2.925 4.624 0.534 1046 HD1 PHE1015 HD1 PHE 15 3.516 2.411 0.123 1047 HD2 PHE1015 HD2 PHE 15 3.506 3.772 4.166 1048 HE1 PHE1015 HE1 PHE 15 3.981 0.128 0.889 1049 HE2 PHE1015 HE2 PHE 15 3.977 1.475 4.932 1050 HZ PHE1015 HZ PHE 15 4.206 -0.349 3.291 1051 H GLU1016 H GLU 16 5.046 4.858 -0.508 1052 HA GLU1016 HA GLU 16 7.078 3.076 -0.002 1053 HB2 GLU1016 2HB GLU 16 5.972 3.273 -2.194 1054 HB3 GLU1016 1HB GLU 16 6.713 4.851 -2.453 1055 HG2 GLU1016 2HG GLU 16 8.984 3.671 -2.343 1056 HG3 GLU1016 1HG GLU 16 8.096 2.147 -2.362 1057 H ALA1017 H ALA 17 7.338 6.561 -0.647 1058 HA ALA1017 HA ALA 17 10.133 6.794 -0.709 1059 HB1 ALA1017 1HB ALA 17 8.615 8.540 -1.531 1060 HB2 ALA1017 2HB ALA 17 9.749 9.196 -0.349 1061 HB3 ALA1017 3HB ALA 17 8.077 8.869 0.119 1062 H LYS1018 H LYS 18 7.908 7.620 1.981 1063 HA LYS1018 HA LYS 18 9.873 8.230 3.892 1064 HB2 LYS1018 2HB LYS 18 7.003 7.279 4.297 1065 HB3 LYS1018 1HB LYS 18 8.005 7.958 5.573 1066 HG2 LYS1018 2HG LYS 18 7.118 9.435 3.068 1067 HG3 LYS1018 1HG LYS 18 6.372 9.580 4.663 1068 HD2 LYS1018 2HD LYS 18 8.520 10.463 5.569 1069 HD3 LYS1018 1HD LYS 18 9.236 10.347 3.958 1070 HE2 LYS1018 2HE LYS 18 6.867 12.101 4.713 1071 HE3 LYS1018 1HE LYS 18 8.524 12.654 4.478 1072 HZ1 LYS1018 1HZ LYS 18 8.414 11.994 2.180 1073 HZ2 LYS1018 2HZ LYS 18 7.124 13.029 2.526 1074 HZ3 LYS1018 3HZ LYS 18 6.861 11.368 2.389 1075 H MET1019 H MET 19 8.323 5.148 3.085 1076 HA MET1019 HA MET 19 9.246 3.855 5.496 1077 HB2 MET1019 2HB MET 19 7.901 2.029 4.961 1078 HB3 MET1019 1HB MET 19 6.989 3.395 4.354 1079 HG2 MET1019 2HG MET 19 7.070 2.645 2.203 1080 HG3 MET1019 1HG MET 19 8.751 2.129 2.324 1081 HE1 MET1019 1HE MET 19 8.343 0.280 5.057 1082 HE2 MET1019 2HE MET 19 9.460 -0.039 3.725 1083 HE3 MET1019 3HE MET 19 8.315 -1.281 4.240 1084 H ALA1020 H ALA 20 10.253 3.997 2.122 1085 HA ALA1020 HA ALA 20 12.317 1.997 2.380 1086 HB1 ALA1020 1HB ALA 20 11.439 2.600 0.164 1087 HB2 ALA1020 2HB ALA 20 13.179 2.889 0.244 1088 HB3 ALA1020 3HB ALA 20 12.050 4.245 0.348 1089 H LEU1021 H LEU 21 12.004 5.416 3.057 1090 HA LEU1021 HA LEU 21 14.821 5.850 3.555 1091 HB2 LEU1021 2HB LEU 21 12.370 7.576 4.065 1092 HB3 LEU1021 1HB LEU 21 14.005 8.093 4.452 1093 HG LEU1021 HG LEU 21 12.990 7.441 1.651 1094 HD11 LEU1021 1HD1 LEU 21 13.149 9.837 1.208 1095 HD12 LEU1021 2HD1 LEU 21 13.626 10.139 2.882 1096 HD13 LEU1021 3HD1 LEU 21 12.014 9.513 2.518 1097 HD21 LEU1021 1HD2 LEU 21 15.368 6.914 1.870 1098 HD22 LEU1021 2HD2 LEU 21 15.691 8.525 2.521 1099 HD23 LEU1021 3HD2 LEU 21 15.133 8.335 0.856 1100 H LEU1022 H LEU 22 12.136 4.628 5.462 1101 HA LEU1022 HA LEU 22 12.662 5.168 8.068 1102 HB2 LEU1022 2HB LEU 22 12.017 2.490 6.816 1103 HB3 LEU1022 1HB LEU 22 12.221 2.615 8.553 1104 HG LEU1022 HG LEU 22 10.110 4.091 6.922 1105 HD11 LEU1022 1HD1 LEU 22 9.791 1.720 8.802 1106 HD12 LEU1022 2HD1 LEU 22 9.625 1.695 7.042 1107 HD13 LEU1022 3HD1 LEU 22 8.485 2.615 8.014 1108 HD21 LEU1022 1HD2 LEU 22 10.775 5.410 8.852 1109 HD22 LEU1022 2HD2 LEU 22 10.543 4.023 9.922 1110 HD23 LEU1022 3HD2 LEU 22 9.159 4.748 9.092 1111 HA PRO1023 HA PRO 23 17.078 3.910 8.227 1112 HB2 PRO1023 2HB PRO 23 17.973 5.827 9.869 1113 HB3 PRO1023 1HB PRO 23 17.353 6.278 8.265 1114 HG2 PRO1023 2HG PRO 23 15.997 6.516 10.932 1115 HG3 PRO1023 1HG PRO 23 16.002 7.651 9.564 1116 HD2 PRO1023 2HD PRO 23 13.974 5.761 10.103 1117 HD3 PRO1023 1HD PRO 23 14.207 6.623 8.566 1118 H ALA1024 H ALA 24 15.265 2.298 9.524 1119 HA ALA1024 HA ALA 24 16.314 1.811 12.199 1120 HB1 ALA1024 1HB ALA 24 13.387 2.493 11.730 1121 HB2 ALA1024 2HB ALA 24 14.567 3.519 12.550 1122 HB3 ALA1024 3HB ALA 24 14.105 1.971 13.257 1123 H VAL1025 H VAL 25 13.722 1.006 9.901 1124 HA VAL1025 HA VAL 25 13.683 -1.789 10.773 1125 HB VAL1025 HB VAL 25 11.899 -0.503 8.653 1126 HG11 VAL1025 1HG1 VAL 25 11.886 -2.963 8.708 1127 HG12 VAL1025 2HG1 VAL 25 10.333 -2.317 9.239 1128 HG13 VAL1025 3HG1 VAL 25 11.479 -2.939 10.428 1129 HG21 VAL1025 1HG2 VAL 25 11.696 0.860 10.699 1130 HG22 VAL1025 2HG2 VAL 25 11.354 -0.590 11.650 1131 HG23 VAL1025 3HG2 VAL 25 10.218 -0.060 10.406 Start of MODEL 4 1 H1 MET 1 1H MET 1 5.085 -4.901 24.481 2 H2 MET 1 2H MET 1 5.559 -6.276 25.340 3 H3 MET 1 3H MET 1 3.992 -5.687 25.497 4 HA MET 1 HA MET 1 5.200 -6.825 23.075 5 HB2 MET 1 2HB MET 1 4.659 -8.531 24.794 6 HB3 MET 1 1HB MET 1 3.016 -7.922 24.904 7 HG2 MET 1 2HG MET 1 2.647 -8.596 22.532 8 HG3 MET 1 1HG MET 1 4.268 -9.286 22.507 9 HE1 MET 1 1HE MET 1 3.081 -11.524 21.592 10 HE2 MET 1 2HE MET 1 1.468 -10.825 21.773 11 HE3 MET 1 3HE MET 1 1.838 -12.397 22.485 12 H THR 2 H THR 2 2.696 -4.739 24.359 13 HA THR 2 HA THR 2 0.633 -5.131 22.493 14 HB THR 2 HB THR 2 -0.082 -2.751 23.054 15 HG1 THR 2 HG1 THR 2 1.283 -1.481 24.017 16 HG21 THR 2 1HG2 THR 2 0.590 -4.517 25.445 17 HG22 THR 2 2HG2 THR 2 -0.868 -4.639 24.457 18 HG23 THR 2 3HG2 THR 2 -0.582 -3.199 25.438 19 H SER 3 H SER 3 3.280 -2.696 22.393 20 HA SER 3 HA SER 3 2.624 -1.535 19.900 21 HB2 SER 3 2HB SER 3 5.380 -1.666 21.202 22 HB3 SER 3 1HB SER 3 4.835 -0.483 20.012 23 HG SER 3 HG SER 3 3.121 -0.467 22.051 24 H THR 4 H THR 4 4.514 -4.369 20.752 25 HA THR 4 HA THR 4 5.756 -4.897 18.264 26 HB THR 4 HB THR 4 4.988 -6.844 20.494 27 HG1 THR 4 HG1 THR 4 7.221 -6.445 21.116 28 HG21 THR 4 1HG2 THR 4 7.078 -7.111 18.296 29 HG22 THR 4 2HG2 THR 4 5.603 -8.068 18.446 30 HG23 THR 4 3HG2 THR 4 6.880 -8.219 19.654 31 H VAL 5 H VAL 5 2.709 -6.058 19.738 32 HA VAL 5 HA VAL 5 1.848 -7.752 17.645 33 HB VAL 5 HB VAL 5 0.185 -6.279 19.752 34 HG11 VAL 5 1HG1 VAL 5 -1.262 -6.925 17.857 35 HG12 VAL 5 2HG1 VAL 5 -1.624 -7.905 19.279 36 HG13 VAL 5 3HG1 VAL 5 -0.672 -8.586 17.959 37 HG21 VAL 5 1HG2 VAL 5 1.826 -7.864 20.713 38 HG22 VAL 5 2HG2 VAL 5 1.170 -9.159 19.712 39 HG23 VAL 5 3HG2 VAL 5 0.174 -8.425 20.971 40 H GLU 6 H GLU 6 1.258 -4.315 18.354 41 HA GLU 6 HA GLU 6 -0.445 -3.675 16.237 42 HB2 GLU 6 2HB GLU 6 1.651 -1.925 17.592 43 HB3 GLU 6 1HB GLU 6 0.409 -1.319 16.503 44 HG2 GLU 6 2HG GLU 6 -0.030 -2.626 19.195 45 HG3 GLU 6 1HG GLU 6 -0.241 -0.922 18.802 46 H PHE 7 H PHE 7 3.091 -3.375 16.423 47 HA PHE 7 HA PHE 7 3.588 -2.256 13.934 48 HB2 PHE 7 2HB PHE 7 5.126 -2.459 15.954 49 HB3 PHE 7 1HB PHE 7 5.425 -4.129 15.495 50 HD1 PHE 7 HD1 PHE 7 7.360 -4.547 14.232 51 HD2 PHE 7 HD2 PHE 7 5.556 -0.677 14.019 52 HE1 PHE 7 HE1 PHE 7 9.229 -3.748 12.853 53 HE2 PHE 7 HE2 PHE 7 7.428 0.111 12.638 54 HZ PHE 7 HZ PHE 7 9.263 -1.425 12.068 55 H ILE 8 H ILE 8 3.935 -5.692 14.871 56 HA ILE 8 HA ILE 8 4.671 -6.700 12.339 57 HB ILE 8 HB ILE 8 3.537 -8.160 14.769 58 HG12 ILE 8 2HG1 ILE 8 6.432 -7.786 13.862 59 HG13 ILE 8 1HG1 ILE 8 5.666 -6.909 15.180 60 HG21 ILE 8 1HG2 ILE 8 4.506 -10.236 13.819 61 HG22 ILE 8 2HG2 ILE 8 4.970 -9.353 12.364 62 HG23 ILE 8 3HG2 ILE 8 3.263 -9.563 12.753 63 HD11 ILE 8 1HD1 ILE 8 7.093 -8.684 15.987 64 HD12 ILE 8 2HD1 ILE 8 6.147 -9.880 15.103 65 HD13 ILE 8 3HD1 ILE 8 5.413 -8.973 16.427 66 H ASN 9 H ASN 9 1.480 -6.695 14.040 67 HA ASN 9 HA ASN 9 0.164 -8.216 12.002 68 HB2 ASN 9 2HB ASN 9 -0.865 -6.689 14.409 69 HB3 ASN 9 1HB ASN 9 -2.000 -7.279 13.201 70 HD21 ASN 9 1HD2 ASN 9 0.400 -8.251 15.568 71 HD22 ASN 9 2HD2 ASN 9 -0.136 -9.883 15.722 72 H ARG 10 H ARG 10 0.447 -4.705 12.621 73 HA ARG 10 HA ARG 10 -1.418 -3.822 10.670 74 HB2 ARG 10 2HB ARG 10 1.033 -2.421 11.815 75 HB3 ARG 10 1HB ARG 10 -0.049 -1.644 10.660 76 HG2 ARG 10 2HG ARG 10 -1.891 -1.716 12.226 77 HG3 ARG 10 1HG ARG 10 -0.957 -2.700 13.360 78 HD2 ARG 10 2HD ARG 10 0.686 -0.814 13.568 79 HD3 ARG 10 1HD ARG 10 -0.366 0.171 12.544 80 HE ARG 10 HE ARG 10 -1.835 -0.817 14.761 81 HH11 ARG 10 1HH1 ARG 10 0.698 1.530 14.025 82 HH12 ARG 10 2HH1 ARG 10 0.298 2.561 15.358 83 HH21 ARG 10 1HH2 ARG 10 -2.327 0.563 16.518 84 HH22 ARG 10 2HH2 ARG 10 -1.409 2.016 16.768 85 H TRP 11 H TRP 11 2.153 -4.254 10.487 86 HA TRP 11 HA TRP 11 2.499 -3.692 7.768 87 HB2 TRP 11 2HB TRP 11 4.073 -5.446 9.680 88 HB3 TRP 11 1HB TRP 11 4.517 -5.379 7.978 89 HD1 TRP 11 HD1 TRP 11 5.458 -3.780 11.110 90 HE1 TRP 11 HE1 TRP 11 6.633 -1.533 10.704 91 HE3 TRP 11 HE3 TRP 11 4.184 -3.044 6.204 92 HZ2 TRP 11 HZ2 TRP 11 6.977 0.324 8.610 93 HZ3 TRP 11 HZ3 TRP 11 4.970 -1.005 5.080 94 HH2 TRP 11 HH2 TRP 11 6.334 0.645 6.261 95 H GLN 12 H GLN 12 1.568 -6.727 9.357 96 HA GLN 12 HA GLN 12 1.458 -8.401 7.092 97 HB2 GLN 12 2HB GLN 12 1.415 -9.368 9.306 98 HB3 GLN 12 1HB GLN 12 -0.040 -8.482 9.739 99 HG2 GLN 12 2HG GLN 12 -1.349 -9.816 8.136 100 HG3 GLN 12 1HG GLN 12 0.113 -10.683 7.658 101 HE21 GLN 12 1HE2 GLN 12 -0.929 -12.626 8.240 102 HE22 GLN 12 2HE2 GLN 12 -1.087 -13.104 9.893 103 H ARG 13 H ARG 13 -1.007 -6.221 8.539 104 HA ARG 13 HA ARG 13 -3.198 -7.033 6.954 105 HB2 ARG 13 2HB ARG 13 -2.767 -4.208 8.019 106 HB3 ARG 13 1HB ARG 13 -4.297 -4.920 7.529 107 HG2 ARG 13 2HG ARG 13 -2.654 -5.564 9.976 108 HG3 ARG 13 1HG ARG 13 -4.248 -4.824 9.915 109 HD2 ARG 13 2HD ARG 13 -5.232 -6.938 9.156 110 HD3 ARG 13 1HD ARG 13 -3.629 -7.688 9.097 111 HE ARG 13 HE ARG 13 -4.299 -6.604 11.678 112 HH11 ARG 13 1HH1 ARG 13 -4.605 -9.462 9.662 113 HH12 ARG 13 2HH1 ARG 13 -4.830 -10.537 11.009 114 HH21 ARG 13 1HH2 ARG 13 -4.625 -7.984 13.421 115 HH22 ARG 13 2HH2 ARG 13 -4.841 -9.690 13.149 116 H ILE 14 H ILE 14 -0.745 -4.513 6.528 117 HA ILE 14 HA ILE 14 -1.754 -3.365 4.136 118 HB ILE 14 HB ILE 14 1.138 -3.343 5.139 119 HG12 ILE 14 2HG1 ILE 14 -1.074 -1.336 5.740 120 HG13 ILE 14 1HG1 ILE 14 -0.512 -2.562 6.867 121 HG21 ILE 14 1HG2 ILE 14 1.378 -1.241 3.887 122 HG22 ILE 14 2HG2 ILE 14 -0.298 -1.344 3.350 123 HG23 ILE 14 3HG2 ILE 14 0.872 -2.538 2.799 124 HD11 ILE 14 1HD1 ILE 14 1.118 -0.291 5.759 125 HD12 ILE 14 2HD1 ILE 14 1.707 -1.543 6.857 126 HD13 ILE 14 3HD1 ILE 14 0.446 -0.430 7.385 127 H ALA 15 H ALA 15 0.547 -5.998 4.792 128 HA ALA 15 HA ALA 15 1.486 -6.457 2.165 129 HB1 ALA 15 1HB ALA 15 1.171 -8.417 4.464 130 HB2 ALA 15 2HB ALA 15 2.571 -7.390 4.162 131 HB3 ALA 15 3HB ALA 15 2.167 -8.672 3.022 132 H LEU 16 H LEU 16 -1.198 -7.936 3.978 133 HA LEU 16 HA LEU 16 -2.064 -9.724 1.935 134 HB2 LEU 16 2HB LEU 16 -3.534 -8.697 4.397 135 HB3 LEU 16 1HB LEU 16 -4.065 -10.043 3.402 136 HG LEU 16 HG LEU 16 -1.508 -9.982 5.061 137 HD11 LEU 16 1HD1 LEU 16 -3.496 -10.129 6.476 138 HD12 LEU 16 2HD1 LEU 16 -2.589 -11.638 6.504 139 HD13 LEU 16 3HD1 LEU 16 -4.074 -11.519 5.554 140 HD21 LEU 16 1HD2 LEU 16 -1.198 -11.350 3.071 141 HD22 LEU 16 2HD2 LEU 16 -2.674 -12.251 3.425 142 HD23 LEU 16 3HD2 LEU 16 -1.285 -12.365 4.509 143 H LEU 17 H LEU 17 -3.087 -6.506 2.988 144 HA LEU 17 HA LEU 17 -5.341 -6.196 1.302 145 HB2 LEU 17 2HB LEU 17 -3.566 -4.181 2.730 146 HB3 LEU 17 1HB LEU 17 -4.889 -3.657 1.705 147 HG LEU 17 HG LEU 17 -5.267 -5.435 4.153 148 HD11 LEU 17 1HD1 LEU 17 -4.394 -3.237 4.836 149 HD12 LEU 17 2HD1 LEU 17 -6.067 -3.448 5.343 150 HD13 LEU 17 3HD1 LEU 17 -5.690 -2.432 3.946 151 HD21 LEU 17 1HD2 LEU 17 -7.300 -3.903 2.489 152 HD22 LEU 17 2HD2 LEU 17 -7.641 -4.866 3.930 153 HD23 LEU 17 3HD2 LEU 17 -7.050 -5.655 2.470 154 H SER 18 H SER 18 -1.886 -5.305 0.924 155 HA SER 18 HA SER 18 -2.213 -3.882 -1.506 156 HB2 SER 18 2HB SER 18 0.258 -4.061 -1.741 157 HB3 SER 18 1HB SER 18 -0.218 -3.529 -0.132 158 HG SER 18 HG SER 18 0.660 -5.234 0.682 159 H GLN 19 H GLN 19 -1.363 -7.307 -0.818 160 HA GLN 19 HA GLN 19 -0.992 -7.942 -3.587 161 HB2 GLN 19 2HB GLN 19 -0.733 -10.228 -2.963 162 HB3 GLN 19 1HB GLN 19 0.052 -9.247 -1.735 163 HG2 GLN 19 2HG GLN 19 -1.920 -9.591 -0.248 164 HG3 GLN 19 1HG GLN 19 -2.624 -10.654 -1.468 165 HE21 GLN 19 1HE2 GLN 19 -1.950 -11.352 1.216 166 HE22 GLN 19 2HE2 GLN 19 -0.757 -12.597 1.144 167 H SER 20 H SER 20 -3.793 -8.080 -1.418 168 HA SER 20 HA SER 20 -5.537 -9.480 -3.160 169 HB2 SER 20 2HB SER 20 -6.169 -7.523 -0.917 170 HB3 SER 20 1HB SER 20 -7.382 -8.484 -1.770 171 HG SER 20 HG SER 20 -5.141 -9.713 -0.566 172 H LEU 21 H LEU 21 -5.216 -6.003 -2.477 173 HA LEU 21 HA LEU 21 -6.896 -4.919 -4.395 174 HB2 LEU 21 2HB LEU 21 -4.358 -3.790 -3.147 175 HB3 LEU 21 1HB LEU 21 -5.437 -2.833 -4.153 176 HG LEU 21 HG LEU 21 -6.294 -4.158 -1.548 177 HD11 LEU 21 1HD1 LEU 21 -6.171 -1.938 -0.517 178 HD12 LEU 21 2HD1 LEU 21 -5.513 -1.266 -2.011 179 HD13 LEU 21 3HD1 LEU 21 -4.589 -2.458 -1.096 180 HD21 LEU 21 1HD2 LEU 21 -7.674 -2.087 -3.278 181 HD22 LEU 21 2HD2 LEU 21 -8.247 -2.678 -1.719 182 HD23 LEU 21 3HD2 LEU 21 -8.146 -3.778 -3.088 183 H LEU 22 H LEU 22 -3.570 -6.030 -4.637 184 HA LEU 22 HA LEU 22 -2.958 -5.061 -7.209 185 HB2 LEU 22 2HB LEU 22 -1.235 -5.896 -5.684 186 HB3 LEU 22 1HB LEU 22 -1.937 -7.508 -5.724 187 HG LEU 22 HG LEU 22 -1.340 -7.726 -8.124 188 HD11 LEU 22 1HD1 LEU 22 -0.113 -4.971 -7.834 189 HD12 LEU 22 2HD1 LEU 22 -1.507 -5.415 -8.827 190 HD13 LEU 22 3HD1 LEU 22 0.087 -6.048 -9.218 191 HD21 LEU 22 1HD2 LEU 22 1.026 -6.931 -6.400 192 HD22 LEU 22 2HD2 LEU 22 1.082 -7.925 -7.858 193 HD23 LEU 22 3HD2 LEU 22 0.245 -8.516 -6.424 194 H GLU 23 H GLU 23 -4.176 -8.265 -6.138 195 HA GLU 23 HA GLU 23 -4.443 -9.492 -8.646 196 HB2 GLU 23 2HB GLU 23 -6.107 -9.898 -6.127 197 HB3 GLU 23 1HB GLU 23 -6.110 -10.994 -7.503 198 HG2 GLU 23 2HG GLU 23 -3.710 -10.373 -5.763 199 HG3 GLU 23 1HG GLU 23 -4.723 -11.807 -5.632 200 H LEU 24 H LEU 24 -6.706 -7.519 -6.813 201 HA LEU 24 HA LEU 24 -8.992 -7.669 -8.446 202 HB2 LEU 24 2HB LEU 24 -8.100 -5.349 -6.698 203 HB3 LEU 24 1HB LEU 24 -9.739 -5.649 -7.250 204 HG LEU 24 HG LEU 24 -8.216 -7.472 -5.361 205 HD11 LEU 24 1HD1 LEU 24 -8.559 -5.336 -4.283 206 HD12 LEU 24 2HD1 LEU 24 -9.607 -6.553 -3.561 207 HD13 LEU 24 3HD1 LEU 24 -10.272 -5.373 -4.687 208 HD21 LEU 24 1HD2 LEU 24 -9.925 -8.674 -6.570 209 HD22 LEU 24 2HD2 LEU 24 -11.134 -7.462 -6.140 210 HD23 LEU 24 3HD2 LEU 24 -10.406 -8.472 -4.887 211 H ALA 25 H ALA 25 -6.286 -5.355 -8.343 212 HA ALA 25 HA ALA 25 -7.198 -3.560 -10.352 213 HB1 ALA 25 1HB ALA 25 -4.360 -4.073 -9.371 214 HB2 ALA 25 2HB ALA 25 -5.515 -2.962 -8.635 215 HB3 ALA 25 3HB ALA 25 -4.918 -2.646 -10.262 216 H GLN 26 H GLN 26 -5.152 -6.436 -10.424 217 HA GLN 26 HA GLN 26 -4.301 -6.324 -13.123 218 HB2 GLN 26 2HB GLN 26 -4.636 -8.687 -11.229 219 HB3 GLN 26 1HB GLN 26 -3.881 -8.812 -12.811 220 HG2 GLN 26 2HG GLN 26 -2.834 -7.034 -10.591 221 HG3 GLN 26 1HG GLN 26 -2.287 -8.684 -10.858 222 HE21 GLN 26 1HE2 GLN 26 -0.617 -6.346 -10.895 223 HE22 GLN 26 2HE2 GLN 26 0.037 -6.203 -12.483 224 H ARG 27 H ARG 27 -7.169 -7.698 -11.530 225 HA ARG 27 HA ARG 27 -8.255 -8.779 -14.022 226 HB2 ARG 27 2HB ARG 27 -9.254 -8.790 -11.155 227 HB3 ARG 27 1HB ARG 27 -10.172 -9.476 -12.493 228 HG2 ARG 27 2HG ARG 27 -8.414 -11.106 -12.933 229 HG3 ARG 27 1HG ARG 27 -7.385 -10.378 -11.697 230 HD2 ARG 27 2HD ARG 27 -8.495 -12.456 -10.916 231 HD3 ARG 27 1HD ARG 27 -8.932 -11.048 -9.946 232 HE ARG 27 HE ARG 27 -10.896 -11.293 -11.886 233 HH11 ARG 27 1HH1 ARG 27 -9.728 -13.295 -9.230 234 HH12 ARG 27 2HH1 ARG 27 -11.271 -14.054 -8.967 235 HH21 ARG 27 1HH2 ARG 27 -12.899 -12.251 -11.524 236 HH22 ARG 27 2HH2 ARG 27 -13.083 -13.453 -10.283 237 H GLY 28 H GLY 28 -8.428 -5.782 -12.357 238 HA2 GLY 28 2HA GLY 28 -9.318 -3.832 -13.299 239 HA3 GLY 28 1HA GLY 28 -10.415 -4.785 -14.276 240 H GLU 29 H GLU 29 -10.510 -5.765 -11.002 241 HA GLU 29 HA GLU 29 -13.019 -4.452 -10.438 242 HB2 GLU 29 2HB GLU 29 -11.229 -6.295 -8.814 243 HB3 GLU 29 1HB GLU 29 -12.589 -5.474 -8.059 244 HG2 GLU 29 2HG GLU 29 -13.282 -7.692 -8.633 245 HG3 GLU 29 1HG GLU 29 -14.110 -6.561 -9.698 246 H TRP 30 H TRP 30 -12.270 -2.255 -10.757 247 HA TRP 30 HA TRP 30 -10.351 -1.008 -9.036 248 HB2 TRP 30 2HB TRP 30 -12.524 0.457 -10.591 249 HB3 TRP 30 1HB TRP 30 -10.954 1.074 -10.088 250 HD1 TRP 30 HD1 TRP 30 -12.603 0.113 -13.107 251 HE1 TRP 30 HE1 TRP 30 -10.978 -0.639 -14.937 252 HE3 TRP 30 HE3 TRP 30 -8.425 -0.660 -10.247 253 HZ2 TRP 30 HZ2 TRP 30 -8.315 -1.463 -15.167 254 HZ3 TRP 30 HZ3 TRP 30 -6.377 -1.432 -11.367 255 HH2 TRP 30 HH2 TRP 30 -6.327 -1.826 -13.776 256 H ASP 31 H ASP 31 -13.790 -1.558 -8.896 257 HA ASP 31 HA ASP 31 -14.714 0.310 -7.055 258 HB2 ASP 31 2HB ASP 31 -16.267 -1.083 -8.300 259 HB3 ASP 31 1HB ASP 31 -15.604 -2.558 -7.606 260 H LEU 32 H LEU 32 -13.305 -2.892 -6.487 261 HA LEU 32 HA LEU 32 -13.568 -2.811 -3.635 262 HB2 LEU 32 2HB LEU 32 -11.987 -4.644 -5.459 263 HB3 LEU 32 1HB LEU 32 -12.110 -4.871 -3.721 264 HG LEU 32 HG LEU 32 -14.407 -5.032 -5.716 265 HD11 LEU 32 1HD1 LEU 32 -12.951 -6.979 -5.828 266 HD12 LEU 32 2HD1 LEU 32 -14.488 -7.419 -5.087 267 HD13 LEU 32 3HD1 LEU 32 -13.052 -7.198 -4.079 268 HD21 LEU 32 1HD2 LEU 32 -15.214 -4.077 -3.609 269 HD22 LEU 32 2HD2 LEU 32 -14.485 -5.404 -2.701 270 HD23 LEU 32 3HD2 LEU 32 -15.817 -5.722 -3.815 271 H LEU 33 H LEU 33 -11.129 -1.695 -5.898 272 HA LEU 33 HA LEU 33 -9.068 -1.236 -3.973 273 HB2 LEU 33 2HB LEU 33 -9.589 -0.157 -6.742 274 HB3 LEU 33 1HB LEU 33 -8.444 0.694 -5.721 275 HG LEU 33 HG LEU 33 -7.103 -1.410 -5.499 276 HD11 LEU 33 1HD1 LEU 33 -7.496 -3.289 -7.011 277 HD12 LEU 33 2HD1 LEU 33 -9.005 -2.546 -7.549 278 HD13 LEU 33 3HD1 LEU 33 -8.827 -3.070 -5.874 279 HD21 LEU 33 1HD2 LEU 33 -6.507 0.284 -7.161 280 HD22 LEU 33 2HD2 LEU 33 -7.544 -0.502 -8.354 281 HD23 LEU 33 3HD2 LEU 33 -6.118 -1.339 -7.732 282 H LEU 34 H LEU 34 -11.764 0.726 -5.214 283 HA LEU 34 HA LEU 34 -11.189 3.084 -3.714 284 HB2 LEU 34 2HB LEU 34 -13.902 2.203 -4.786 285 HB3 LEU 34 1HB LEU 34 -13.419 3.844 -4.378 286 HG LEU 34 HG LEU 34 -12.416 2.176 -6.715 287 HD11 LEU 34 1HD1 LEU 34 -13.461 3.882 -8.128 288 HD12 LEU 34 2HD1 LEU 34 -14.075 4.709 -6.694 289 HD13 LEU 34 3HD1 LEU 34 -14.638 3.081 -7.088 290 HD21 LEU 34 1HD2 LEU 34 -10.536 3.478 -5.870 291 HD22 LEU 34 2HD2 LEU 34 -11.496 4.956 -5.921 292 HD23 LEU 34 3HD2 LEU 34 -11.081 4.121 -7.418 293 H GLN 35 H GLN 35 -13.001 0.159 -3.001 294 HA GLN 35 HA GLN 35 -14.405 1.112 -0.688 295 HB2 GLN 35 2HB GLN 35 -15.286 -0.779 -1.967 296 HB3 GLN 35 1HB GLN 35 -13.808 -1.698 -1.708 297 HG2 GLN 35 2HG GLN 35 -15.648 -2.517 -0.277 298 HG3 GLN 35 1HG GLN 35 -14.303 -1.896 0.681 299 HE21 GLN 35 1HE2 GLN 35 -15.515 -1.452 2.509 300 HE22 GLN 35 2HE2 GLN 35 -16.723 -0.217 2.571 301 H GLN 36 H GLN 36 -11.631 -1.062 -1.124 302 HA GLN 36 HA GLN 36 -10.976 -1.138 1.688 303 HB2 GLN 36 2HB GLN 36 -9.725 -2.405 -0.770 304 HB3 GLN 36 1HB GLN 36 -9.095 -2.648 0.858 305 HG2 GLN 36 2HG GLN 36 -11.059 -3.812 1.563 306 HG3 GLN 36 1HG GLN 36 -11.981 -3.275 0.164 307 HE21 GLN 36 1HE2 GLN 36 -10.044 -3.911 -1.848 308 HE22 GLN 36 2HE2 GLN 36 -9.958 -5.638 -1.933 309 H GLU 37 H GLU 37 -10.241 0.993 -0.834 310 HA GLU 37 HA GLU 37 -7.738 2.008 -0.558 311 HB2 GLU 37 2HB GLU 37 -9.479 2.924 -2.057 312 HB3 GLU 37 1HB GLU 37 -10.340 3.589 -0.680 313 HG2 GLU 37 2HG GLU 37 -8.484 5.149 -0.264 314 HG3 GLU 37 1HG GLU 37 -7.595 4.462 -1.618 315 H VAL 38 H VAL 38 -10.494 2.898 1.530 316 HA VAL 38 HA VAL 38 -9.138 4.703 3.195 317 HB VAL 38 HB VAL 38 -11.056 4.458 4.778 318 HG11 VAL 38 1HG1 VAL 38 -11.873 4.711 1.859 319 HG12 VAL 38 2HG1 VAL 38 -11.240 6.000 2.886 320 HG13 VAL 38 3HG1 VAL 38 -12.810 5.280 3.246 321 HG21 VAL 38 1HG2 VAL 38 -12.977 2.989 4.210 322 HG22 VAL 38 2HG2 VAL 38 -11.526 2.053 4.572 323 HG23 VAL 38 3HG2 VAL 38 -12.039 2.268 2.898 324 H SER 39 H SER 39 -9.701 1.210 3.539 325 HA SER 39 HA SER 39 -8.700 0.905 6.172 326 HB2 SER 39 2HB SER 39 -8.895 -1.182 3.944 327 HB3 SER 39 1HB SER 39 -8.772 -1.512 5.679 328 HG SER 39 HG SER 39 -10.904 -1.621 5.232 329 H TYR 40 H TYR 40 -7.250 0.511 2.972 330 HA TYR 40 HA TYR 40 -4.774 -0.606 3.749 331 HB2 TYR 40 2HB TYR 40 -5.735 -0.825 1.474 332 HB3 TYR 40 1HB TYR 40 -5.534 0.904 1.207 333 HD1 TYR 40 HD1 TYR 40 -3.693 1.471 -0.157 334 HD2 TYR 40 HD2 TYR 40 -3.381 -2.003 2.305 335 HE1 TYR 40 HE1 TYR 40 -1.473 0.998 -1.092 336 HE2 TYR 40 HE2 TYR 40 -1.164 -2.462 1.368 337 HH TYR 40 HH TYR 40 0.579 -0.217 -0.475 338 H LEU 41 H LEU 41 -5.678 2.730 2.817 339 HA LEU 41 HA LEU 41 -3.092 3.855 3.170 340 HB2 LEU 41 2HB LEU 41 -5.809 5.221 3.089 341 HB3 LEU 41 1HB LEU 41 -4.265 6.051 2.986 342 HG LEU 41 HG LEU 41 -5.386 4.107 0.923 343 HD11 LEU 41 1HD1 LEU 41 -4.986 7.113 0.748 344 HD12 LEU 41 2HD1 LEU 41 -6.532 6.275 0.901 345 HD13 LEU 41 3HD1 LEU 41 -5.559 6.062 -0.553 346 HD21 LEU 41 1HD2 LEU 41 -3.444 4.696 -0.475 347 HD22 LEU 41 2HD2 LEU 41 -2.952 3.889 1.012 348 HD23 LEU 41 3HD2 LEU 41 -2.762 5.637 0.855 349 H GLN 42 H GLN 42 -5.944 3.574 5.305 350 HA GLN 42 HA GLN 42 -5.004 5.090 7.493 351 HB2 GLN 42 2HB GLN 42 -7.339 4.356 7.323 352 HB3 GLN 42 1HB GLN 42 -6.852 2.668 7.456 353 HG2 GLN 42 2HG GLN 42 -6.103 3.044 9.765 354 HG3 GLN 42 1HG GLN 42 -6.518 4.751 9.641 355 HE21 GLN 42 1HE2 GLN 42 -7.810 1.500 9.815 356 HE22 GLN 42 2HE2 GLN 42 -9.415 1.951 10.274 357 H SER 43 H SER 43 -4.606 1.625 6.727 358 HA SER 43 HA SER 43 -3.146 0.858 9.011 359 HB2 SER 43 2HB SER 43 -3.071 -0.331 6.204 360 HB3 SER 43 1HB SER 43 -2.468 -1.118 7.665 361 HG SER 43 HG SER 43 -4.989 -0.980 6.715 362 H ILE 44 H ILE 44 -2.111 2.100 5.855 363 HA ILE 44 HA ILE 44 0.673 1.887 6.092 364 HB ILE 44 HB ILE 44 -1.178 3.622 4.431 365 HG12 ILE 44 2HG1 ILE 44 0.883 1.488 3.717 366 HG13 ILE 44 1HG1 ILE 44 -0.863 1.281 3.744 367 HG21 ILE 44 1HG2 ILE 44 1.832 3.965 4.386 368 HG22 ILE 44 2HG2 ILE 44 0.647 5.181 4.852 369 HG23 ILE 44 3HG2 ILE 44 0.723 4.618 3.181 370 HD11 ILE 44 1HD1 ILE 44 0.713 2.985 1.812 371 HD12 ILE 44 2HD1 ILE 44 -1.049 2.860 1.856 372 HD13 ILE 44 3HD1 ILE 44 -0.073 1.439 1.487 373 H GLU 45 H GLU 45 -1.446 4.685 6.879 374 HA GLU 45 HA GLU 45 0.732 6.357 7.672 375 HB2 GLU 45 2HB GLU 45 -0.981 7.965 8.402 376 HB3 GLU 45 1HB GLU 45 -1.343 7.324 6.804 377 HG2 GLU 45 2HG GLU 45 -2.959 5.722 7.905 378 HG3 GLU 45 1HG GLU 45 -2.695 6.589 9.414 379 H THR 46 H THR 46 -1.485 4.211 9.467 380 HA THR 46 HA THR 46 -0.717 5.190 12.056 381 HB THR 46 HB THR 46 -2.938 4.073 11.572 382 HG1 THR 46 HG1 THR 46 -3.064 3.638 13.643 383 HG21 THR 46 1HG2 THR 46 -3.111 1.621 11.716 384 HG22 THR 46 2HG2 THR 46 -1.352 1.489 11.757 385 HG23 THR 46 3HG2 THR 46 -2.153 2.095 10.310 386 H VAL 47 H VAL 47 0.475 2.529 9.977 387 HA VAL 47 HA VAL 47 2.136 1.412 12.068 388 HB VAL 47 HB VAL 47 1.232 0.098 10.029 389 HG11 VAL 47 1HG1 VAL 47 1.977 1.589 8.232 390 HG12 VAL 47 2HG1 VAL 47 2.697 -0.011 8.042 391 HG13 VAL 47 3HG1 VAL 47 3.663 1.318 8.679 392 HG21 VAL 47 1HG2 VAL 47 3.132 -1.459 10.043 393 HG22 VAL 47 2HG2 VAL 47 2.807 -0.857 11.673 394 HG23 VAL 47 3HG2 VAL 47 4.166 -0.211 10.745 395 H MET 48 H MET 48 2.625 3.657 9.339 396 HA MET 48 HA MET 48 5.454 3.873 9.576 397 HB2 MET 48 2HB MET 48 4.256 4.546 7.520 398 HB3 MET 48 1HB MET 48 3.453 5.846 8.392 399 HG2 MET 48 2HG MET 48 5.575 6.994 8.712 400 HG3 MET 48 1HG MET 48 6.449 5.647 7.984 401 HE1 MET 48 1HE MET 48 4.807 4.831 5.424 402 HE2 MET 48 2HE MET 48 6.547 5.141 5.424 403 HE3 MET 48 3HE MET 48 5.510 5.913 4.224 404 H GLU 49 H GLU 49 2.716 5.479 11.098 405 HA GLU 49 HA GLU 49 4.041 7.512 12.531 406 HB2 GLU 49 2HB GLU 49 1.586 7.378 12.319 407 HB3 GLU 49 1HB GLU 49 1.560 5.907 13.286 408 HG2 GLU 49 2HG GLU 49 2.466 7.211 15.223 409 HG3 GLU 49 1HG GLU 49 2.377 8.673 14.240 410 H LYS 50 H LYS 50 3.739 4.060 13.114 411 HA LYS 50 HA LYS 50 5.086 4.295 15.742 412 HB2 LYS 50 2HB LYS 50 2.749 3.194 15.543 413 HB3 LYS 50 1HB LYS 50 3.554 1.872 14.705 414 HG2 LYS 50 2HG LYS 50 3.218 1.329 17.073 415 HG3 LYS 50 1HG LYS 50 4.942 1.434 16.706 416 HD2 LYS 50 2HD LYS 50 4.346 2.510 18.881 417 HD3 LYS 50 1HD LYS 50 5.070 3.648 17.744 418 HE2 LYS 50 2HE LYS 50 2.795 4.489 17.171 419 HE3 LYS 50 1HE LYS 50 2.100 3.368 18.341 420 HZ1 LYS 50 1HZ LYS 50 3.330 4.498 20.084 421 HZ2 LYS 50 2HZ LYS 50 2.312 5.571 19.267 422 HZ3 LYS 50 3HZ LYS 50 3.974 5.583 18.959 423 H GLN 51 H GLN 51 7.095 4.612 14.481 424 HA GLN 51 HA GLN 51 8.215 2.257 13.167 425 HB2 GLN 51 2HB GLN 51 10.128 3.639 12.624 426 HB3 GLN 51 1HB GLN 51 8.674 4.560 12.273 427 HG2 GLN 51 2HG GLN 51 8.977 5.853 14.345 428 HG3 GLN 51 1HG GLN 51 10.422 4.917 14.725 429 HE21 GLN 51 1HE2 GLN 51 12.311 5.266 13.456 430 HE22 GLN 51 2HE2 GLN 51 12.513 6.700 12.514 431 H THR 52 H THR 52 9.981 1.076 13.980 432 HA THR 52 HA THR 52 10.405 1.202 16.899 433 HB THR 52 HB THR 52 11.461 -1.097 16.550 434 HG1 THR 52 HG1 THR 52 11.321 -0.438 14.009 435 HG21 THR 52 1HG2 THR 52 9.316 -2.291 16.324 436 HG22 THR 52 2HG2 THR 52 8.546 -0.829 15.706 437 HG23 THR 52 3HG2 THR 52 9.136 -0.883 17.371 438 HA PRO 53 HA PRO 53 14.528 3.021 16.494 439 HB2 PRO 53 2HB PRO 53 15.211 0.968 18.629 440 HB3 PRO 53 1HB PRO 53 15.601 2.703 18.572 441 HG2 PRO 53 2HG PRO 53 13.635 1.879 20.125 442 HG3 PRO 53 1HG PRO 53 13.415 3.352 19.148 443 HD2 PRO 53 2HD PRO 53 12.319 0.586 18.667 444 HD3 PRO 53 1HD PRO 53 11.549 2.167 18.401 445 HA PRO 54 HA PRO 54 17.222 0.682 13.687 446 HB2 PRO 54 2HB PRO 54 19.282 1.557 15.740 447 HB3 PRO 54 1HB PRO 54 19.409 1.542 13.964 448 HG2 PRO 54 2HG PRO 54 18.848 3.813 15.218 449 HG3 PRO 54 1HG PRO 54 18.010 3.399 13.704 450 HD2 PRO 54 2HD PRO 54 16.960 3.387 16.497 451 HD3 PRO 54 1HD PRO 54 16.092 3.625 14.964 452 H GLY 55 H GLY 55 17.981 0.225 17.145 453 HA2 GLY 55 2HA GLY 55 18.956 -2.455 16.912 454 HA3 GLY 55 1HA GLY 55 18.529 -1.618 18.390 455 H ILE 56 H ILE 56 17.083 -3.250 15.592 456 HA ILE 56 HA ILE 56 14.672 -3.942 17.162 457 HB ILE 56 HB ILE 56 14.223 -2.751 15.044 458 HG12 ILE 56 2HG1 ILE 56 12.639 -4.409 13.954 459 HG13 ILE 56 1HG1 ILE 56 13.329 -5.669 14.972 460 HG21 ILE 56 1HG2 ILE 56 15.587 -5.039 13.604 461 HG22 ILE 56 2HG2 ILE 56 16.195 -3.389 13.749 462 HG23 ILE 56 3HG2 ILE 56 14.718 -3.707 12.836 463 HD11 ILE 56 1HD1 ILE 56 11.219 -4.833 15.846 464 HD12 ILE 56 2HD1 ILE 56 11.886 -3.207 15.948 465 HD13 ILE 56 3HD1 ILE 56 12.540 -4.496 16.964 466 H THR 57 H THR 57 14.066 -6.112 17.388 467 HA THR 57 HA THR 57 16.160 -8.076 17.479 468 HB THR 57 HB THR 57 14.357 -9.622 18.267 469 HG1 THR 57 HG1 THR 57 12.220 -8.875 18.322 470 HG21 THR 57 1HG2 THR 57 14.132 -6.863 19.532 471 HG22 THR 57 2HG2 THR 57 15.328 -8.092 19.951 472 HG23 THR 57 3HG2 THR 57 13.618 -8.382 20.272 473 H ARG 58 H ARG 58 16.480 -9.866 16.132 474 HA ARG 58 HA ARG 58 16.013 -9.724 13.426 475 HB2 ARG 58 2HB ARG 58 17.772 -11.158 14.287 476 HB3 ARG 58 1HB ARG 58 16.629 -12.167 15.150 477 HG2 ARG 58 2HG ARG 58 16.407 -12.037 12.144 478 HG3 ARG 58 1HG ARG 58 17.739 -12.959 12.839 479 HD2 ARG 58 2HD ARG 58 16.255 -14.491 13.921 480 HD3 ARG 58 1HD ARG 58 14.861 -13.432 13.689 481 HE ARG 58 HE ARG 58 16.105 -14.390 11.251 482 HH11 ARG 58 1HH1 ARG 58 13.572 -14.983 13.628 483 HH12 ARG 58 2HH1 ARG 58 12.645 -15.988 12.563 484 HH21 ARG 58 1HH2 ARG 58 14.851 -15.733 9.868 485 HH22 ARG 58 2HH2 ARG 58 13.365 -16.405 10.457 486 H SER 59 H SER 59 14.001 -11.347 15.870 487 HA SER 59 HA SER 59 12.337 -12.845 14.208 488 HB2 SER 59 2HB SER 59 11.540 -11.508 16.829 489 HB3 SER 59 1HB SER 59 10.810 -12.948 16.112 490 HG SER 59 HG SER 59 12.609 -13.041 17.844 491 H ILE 60 H ILE 60 11.654 -9.638 15.651 492 HA ILE 60 HA ILE 60 9.258 -9.107 14.247 493 HB ILE 60 HB ILE 60 11.188 -7.085 15.494 494 HG12 ILE 60 2HG1 ILE 60 8.734 -8.390 16.773 495 HG13 ILE 60 1HG1 ILE 60 10.399 -8.845 17.120 496 HG21 ILE 60 1HG2 ILE 60 8.238 -6.782 14.808 497 HG22 ILE 60 2HG2 ILE 60 9.579 -6.013 13.960 498 HG23 ILE 60 3HG2 ILE 60 9.228 -5.576 15.632 499 HD11 ILE 60 1HD1 ILE 60 9.513 -7.426 18.860 500 HD12 ILE 60 2HD1 ILE 60 9.139 -6.161 17.690 501 HD13 ILE 60 3HD1 ILE 60 10.820 -6.599 18.013 502 H GLN 61 H GLN 61 12.604 -8.022 13.770 503 HA GLN 61 HA GLN 61 12.500 -6.390 11.585 504 HB2 GLN 61 2HB GLN 61 14.500 -6.926 13.010 505 HB3 GLN 61 1HB GLN 61 14.663 -8.458 12.180 506 HG2 GLN 61 2HG GLN 61 14.834 -5.820 10.704 507 HG3 GLN 61 1HG GLN 61 16.230 -6.513 11.515 508 HE21 GLN 61 1HE2 GLN 61 14.143 -6.727 8.742 509 HE22 GLN 61 2HE2 GLN 61 15.066 -7.915 7.894 510 H ASP 62 H ASP 62 12.673 -9.953 11.585 511 HA ASP 62 HA ASP 62 13.049 -10.180 8.738 512 HB2 ASP 62 2HB ASP 62 14.068 -11.819 10.285 513 HB3 ASP 62 1HB ASP 62 12.481 -12.319 10.854 514 H MET 63 H MET 63 10.355 -10.940 11.006 515 HA MET 63 HA MET 63 8.515 -11.855 9.064 516 HB2 MET 63 2HB MET 63 8.035 -10.614 11.801 517 HB3 MET 63 1HB MET 63 6.742 -11.286 10.813 518 HG2 MET 63 2HG MET 63 7.854 -13.493 10.884 519 HG3 MET 63 1HG MET 63 9.115 -12.810 11.912 520 HE1 MET 63 1HE MET 63 8.765 -12.115 14.460 521 HE2 MET 63 2HE MET 63 7.182 -12.048 15.233 522 HE3 MET 63 3HE MET 63 7.585 -10.906 13.952 523 H VAL 64 H VAL 64 8.937 -8.643 10.514 524 HA VAL 64 HA VAL 64 6.985 -7.248 9.037 525 HB VAL 64 HB VAL 64 9.425 -6.385 10.625 526 HG11 VAL 64 1HG1 VAL 64 9.296 -4.695 8.876 527 HG12 VAL 64 2HG1 VAL 64 8.740 -4.010 10.404 528 HG13 VAL 64 3HG1 VAL 64 7.570 -4.482 9.173 529 HG21 VAL 64 1HG2 VAL 64 7.443 -7.189 11.860 530 HG22 VAL 64 2HG2 VAL 64 6.448 -5.963 11.068 531 HG23 VAL 64 3HG2 VAL 64 7.734 -5.478 12.173 532 H ALA 65 H ALA 65 10.437 -7.885 8.381 533 HA ALA 65 HA ALA 65 10.676 -6.243 6.066 534 HB1 ALA 65 1HB ALA 65 12.698 -7.542 5.544 535 HB2 ALA 65 2HB ALA 65 12.256 -8.754 6.753 536 HB3 ALA 65 3HB ALA 65 12.653 -7.111 7.253 537 H GLY 66 H GLY 66 9.514 -9.532 6.595 538 HA2 GLY 66 2HA GLY 66 9.217 -10.334 3.876 539 HA3 GLY 66 1HA GLY 66 8.371 -11.006 5.265 540 H TYR 67 H TYR 67 7.041 -8.769 6.208 541 HA TYR 67 HA TYR 67 4.784 -8.568 4.470 542 HB2 TYR 67 2HB TYR 67 5.458 -6.903 6.922 543 HB3 TYR 67 1HB TYR 67 3.871 -7.035 6.169 544 HD1 TYR 67 HD1 TYR 67 4.952 -7.730 9.111 545 HD2 TYR 67 HD2 TYR 67 3.876 -10.078 5.697 546 HE1 TYR 67 HE1 TYR 67 4.404 -9.620 10.576 547 HE2 TYR 67 HE2 TYR 67 3.329 -11.967 7.173 548 HH TYR 67 HH TYR 67 2.979 -11.657 10.525 549 H ILE 68 H ILE 68 7.594 -6.625 5.046 550 HA ILE 68 HA ILE 68 6.775 -4.240 3.668 551 HB ILE 68 HB ILE 68 9.397 -5.242 4.840 552 HG12 ILE 68 2HG1 ILE 68 7.678 -2.784 5.400 553 HG13 ILE 68 1HG1 ILE 68 7.740 -4.245 6.377 554 HG21 ILE 68 1HG2 ILE 68 9.185 -2.724 3.160 555 HG22 ILE 68 2HG2 ILE 68 10.121 -4.166 2.764 556 HG23 ILE 68 3HG2 ILE 68 10.571 -3.177 4.154 557 HD11 ILE 68 1HD1 ILE 68 8.976 -2.463 7.419 558 HD12 ILE 68 2HD1 ILE 68 9.978 -2.262 5.984 559 HD13 ILE 68 3HD1 ILE 68 10.079 -3.751 6.931 560 H LYS 69 H LYS 69 8.648 -7.142 2.900 561 HA LYS 69 HA LYS 69 9.477 -6.479 0.295 562 HB2 LYS 69 2HB LYS 69 10.428 -8.378 1.567 563 HB3 LYS 69 1HB LYS 69 8.870 -9.191 1.564 564 HG2 LYS 69 2HG LYS 69 10.441 -10.189 -0.055 565 HG3 LYS 69 1HG LYS 69 9.005 -9.540 -0.844 566 HD2 LYS 69 2HD LYS 69 11.005 -9.011 -2.147 567 HD3 LYS 69 1HD LYS 69 10.289 -7.526 -1.517 568 HE2 LYS 69 2HE LYS 69 11.989 -7.591 0.345 569 HE3 LYS 69 1HE LYS 69 12.744 -8.972 -0.458 570 HZ1 LYS 69 1HZ LYS 69 13.869 -6.965 -1.070 571 HZ2 LYS 69 2HZ LYS 69 12.424 -6.245 -1.577 572 HZ3 LYS 69 3HZ LYS 69 13.052 -7.563 -2.420 573 H GLN 70 H GLN 70 6.633 -8.141 1.562 574 HA GLN 70 HA GLN 70 5.263 -8.627 -0.832 575 HB2 GLN 70 2HB GLN 70 4.336 -8.323 2.038 576 HB3 GLN 70 1HB GLN 70 3.192 -8.632 0.739 577 HG2 GLN 70 2HG GLN 70 5.536 -10.433 1.419 578 HG3 GLN 70 1HG GLN 70 3.878 -10.685 1.967 579 HE21 GLN 70 1HE2 GLN 70 5.636 -12.348 0.222 580 HE22 GLN 70 2HE2 GLN 70 4.731 -12.592 -1.234 581 H THR 71 H THR 71 4.758 -5.924 1.541 582 HA THR 71 HA THR 71 2.703 -4.775 -0.003 583 HB THR 71 HB THR 71 2.861 -4.295 2.412 584 HG1 THR 71 HG1 THR 71 2.957 -1.971 0.733 585 HG21 THR 71 1HG2 THR 71 4.369 -2.541 3.269 586 HG22 THR 71 2HG2 THR 71 5.184 -2.463 1.706 587 HG23 THR 71 3HG2 THR 71 5.288 -3.930 2.681 588 H LEU 72 H LEU 72 6.203 -4.065 0.074 589 HA LEU 72 HA LEU 72 6.057 -1.763 -1.592 590 HB2 LEU 72 2HB LEU 72 8.368 -3.607 -0.891 591 HB3 LEU 72 1HB LEU 72 8.569 -2.239 -1.979 592 HG LEU 72 HG LEU 72 7.750 -2.092 0.951 593 HD11 LEU 72 1HD1 LEU 72 9.892 -0.904 1.247 594 HD12 LEU 72 2HD1 LEU 72 10.290 -1.193 -0.450 595 HD13 LEU 72 3HD1 LEU 72 10.124 -2.553 0.665 596 HD21 LEU 72 1HD2 LEU 72 6.545 -0.375 -0.260 597 HD22 LEU 72 2HD2 LEU 72 8.015 0.138 -1.093 598 HD23 LEU 72 3HD2 LEU 72 7.856 0.375 0.647 599 H ASP 73 H ASP 73 6.640 -5.226 -2.343 600 HA ASP 73 HA ASP 73 7.131 -4.783 -5.134 601 HB2 ASP 73 2HB ASP 73 7.926 -6.821 -3.952 602 HB3 ASP 73 1HB ASP 73 6.263 -7.341 -3.704 603 H ASN 74 H ASN 74 4.268 -5.790 -3.300 604 HA ASN 74 HA ASN 74 2.451 -6.202 -5.416 605 HB2 ASN 74 2HB ASN 74 1.952 -5.470 -2.495 606 HB3 ASN 74 1HB ASN 74 0.677 -5.940 -3.613 607 HD21 ASN 74 1HD2 ASN 74 1.629 -7.150 -1.085 608 HD22 ASN 74 2HD2 ASN 74 1.977 -8.801 -1.473 609 H GLU 75 H GLU 75 3.163 -3.364 -3.390 610 HA GLU 75 HA GLU 75 1.115 -1.699 -4.519 611 HB2 GLU 75 2HB GLU 75 1.932 -1.356 -2.210 612 HB3 GLU 75 1HB GLU 75 3.524 -0.924 -2.824 613 HG2 GLU 75 2HG GLU 75 2.420 0.995 -4.062 614 HG3 GLU 75 1HG GLU 75 0.931 0.604 -3.208 615 H GLN 76 H GLN 76 4.574 -2.213 -5.131 616 HA GLN 76 HA GLN 76 5.010 -0.050 -6.907 617 HB2 GLN 76 2HB GLN 76 6.842 -1.449 -5.957 618 HB3 GLN 76 1HB GLN 76 6.316 -2.811 -6.940 619 HG2 GLN 76 2HG GLN 76 6.870 -1.560 -8.986 620 HG3 GLN 76 1HG GLN 76 7.335 -0.163 -8.015 621 HE21 GLN 76 1HE2 GLN 76 9.438 -0.153 -8.819 622 HE22 GLN 76 2HE2 GLN 76 10.608 -1.360 -8.419 623 H LEU 77 H LEU 77 3.894 -3.378 -7.396 624 HA LEU 77 HA LEU 77 3.360 -3.192 -10.185 625 HB2 LEU 77 2HB LEU 77 2.380 -5.077 -8.022 626 HB3 LEU 77 1HB LEU 77 1.921 -5.261 -9.708 627 HG LEU 77 HG LEU 77 4.778 -5.414 -8.657 628 HD11 LEU 77 1HD1 LEU 77 2.929 -7.645 -9.563 629 HD12 LEU 77 2HD1 LEU 77 3.453 -7.331 -7.907 630 HD13 LEU 77 3HD1 LEU 77 4.630 -7.825 -9.121 631 HD21 LEU 77 1HD2 LEU 77 3.671 -5.916 -11.438 632 HD22 LEU 77 2HD2 LEU 77 5.330 -6.241 -10.922 633 HD23 LEU 77 3HD2 LEU 77 4.727 -4.586 -10.947 634 H LEU 78 H LEU 78 1.424 -2.505 -7.282 635 HA LEU 78 HA LEU 78 -1.123 -2.202 -8.469 636 HB2 LEU 78 2HB LEU 78 0.123 -1.457 -5.861 637 HB3 LEU 78 1HB LEU 78 -1.184 -0.393 -6.322 638 HG LEU 78 HG LEU 78 -1.478 -3.416 -6.095 639 HD11 LEU 78 1HD1 LEU 78 -0.962 -2.414 -3.892 640 HD12 LEU 78 2HD1 LEU 78 -2.610 -3.036 -3.969 641 HD13 LEU 78 3HD1 LEU 78 -2.316 -1.295 -4.085 642 HD21 LEU 78 1HD2 LEU 78 -3.899 -2.897 -6.157 643 HD22 LEU 78 2HD2 LEU 78 -3.082 -2.393 -7.632 644 HD23 LEU 78 3HD2 LEU 78 -3.529 -1.190 -6.417 645 H LYS 79 H LYS 79 1.123 0.367 -7.416 646 HA LYS 79 HA LYS 79 -0.264 2.454 -8.683 647 HB2 LYS 79 2HB LYS 79 1.555 3.909 -8.019 648 HB3 LYS 79 1HB LYS 79 1.204 2.793 -6.707 649 HG2 LYS 79 2HG LYS 79 3.160 1.445 -7.284 650 HG3 LYS 79 1HG LYS 79 3.503 2.502 -8.658 651 HD2 LYS 79 2HD LYS 79 3.834 4.408 -7.091 652 HD3 LYS 79 1HD LYS 79 3.545 3.326 -5.722 653 HE2 LYS 79 2HE LYS 79 5.534 2.046 -6.233 654 HE3 LYS 79 1HE LYS 79 5.764 2.915 -7.756 655 HZ1 LYS 79 1HZ LYS 79 5.966 4.045 -5.028 656 HZ2 LYS 79 2HZ LYS 79 6.069 4.943 -6.456 657 HZ3 LYS 79 3HZ LYS 79 7.234 3.775 -6.113 658 H GLY 80 H GLY 80 2.397 0.383 -9.765 659 HA2 GLY 80 2HA GLY 80 3.177 1.780 -12.081 660 HA3 GLY 80 1HA GLY 80 3.287 0.042 -11.844 661 H LEU 81 H LEU 81 0.983 -1.009 -11.832 662 HA LEU 81 HA LEU 81 -0.095 -1.015 -14.379 663 HB2 LEU 81 2HB LEU 81 -0.359 -2.877 -12.889 664 HB3 LEU 81 1HB LEU 81 -1.220 -1.921 -11.706 665 HG LEU 81 HG LEU 81 -2.516 -2.286 -14.427 666 HD11 LEU 81 1HD1 LEU 81 -1.779 -4.559 -13.859 667 HD12 LEU 81 2HD1 LEU 81 -3.530 -4.402 -13.792 668 HD13 LEU 81 3HD1 LEU 81 -2.590 -4.439 -12.297 669 HD21 LEU 81 1HD2 LEU 81 -3.645 -0.855 -12.780 670 HD22 LEU 81 2HD2 LEU 81 -3.664 -2.176 -11.612 671 HD23 LEU 81 3HD2 LEU 81 -4.605 -2.299 -13.102 672 H LEU 82 H LEU 82 -1.344 0.594 -11.469 673 HA LEU 82 HA LEU 82 -3.714 1.629 -12.589 674 HB2 LEU 82 2HB LEU 82 -2.152 2.230 -10.068 675 HB3 LEU 82 1HB LEU 82 -3.597 3.147 -10.461 676 HG LEU 82 HG LEU 82 -3.686 0.109 -10.270 677 HD11 LEU 82 1HD1 LEU 82 -4.147 2.053 -7.987 678 HD12 LEU 82 2HD1 LEU 82 -2.789 0.936 -8.137 679 HD13 LEU 82 3HD1 LEU 82 -4.423 0.308 -7.949 680 HD21 LEU 82 1HD2 LEU 82 -5.827 2.242 -9.960 681 HD22 LEU 82 2HD2 LEU 82 -6.064 0.497 -9.839 682 HD23 LEU 82 3HD2 LEU 82 -5.583 1.211 -11.376 683 H GLN 83 H GLN 83 -0.440 2.973 -12.351 684 HA GLN 83 HA GLN 83 -1.087 5.654 -13.082 685 HB2 GLN 83 2HB GLN 83 1.143 4.646 -12.088 686 HB3 GLN 83 1HB GLN 83 1.581 4.325 -13.755 687 HG2 GLN 83 2HG GLN 83 0.870 7.089 -12.718 688 HG3 GLN 83 1HG GLN 83 2.509 6.457 -12.707 689 HE21 GLN 83 1HE2 GLN 83 -0.077 7.662 -14.713 690 HE22 GLN 83 2HE2 GLN 83 0.861 7.843 -16.155 691 H GLN 84 H GLN 84 -0.005 2.779 -14.892 692 HA GLN 84 HA GLN 84 -0.108 3.804 -17.524 693 HB2 GLN 84 2HB GLN 84 -0.590 0.939 -16.611 694 HB3 GLN 84 1HB GLN 84 -0.159 1.436 -18.244 695 HG2 GLN 84 2HG GLN 84 2.046 2.120 -17.530 696 HG3 GLN 84 1HG GLN 84 1.619 1.886 -15.834 697 HE21 GLN 84 1HE2 GLN 84 3.205 0.356 -15.406 698 HE22 GLN 84 2HE2 GLN 84 3.220 -1.220 -16.108 699 H ARG 85 H ARG 85 -2.578 2.337 -15.487 700 HA ARG 85 HA ARG 85 -4.585 1.968 -17.474 701 HB2 ARG 85 2HB ARG 85 -4.673 1.976 -14.434 702 HB3 ARG 85 1HB ARG 85 -6.128 1.738 -15.398 703 HG2 ARG 85 2HG ARG 85 -3.666 -0.026 -15.494 704 HG3 ARG 85 1HG ARG 85 -5.143 -0.381 -14.604 705 HD2 ARG 85 2HD ARG 85 -6.399 -0.357 -16.770 706 HD3 ARG 85 1HD ARG 85 -4.865 -0.130 -17.617 707 HE ARG 85 HE ARG 85 -4.178 -2.312 -16.626 708 HH11 ARG 85 1HH1 ARG 85 -7.599 -1.634 -17.110 709 HH12 ARG 85 2HH1 ARG 85 -8.025 -3.315 -17.221 710 HH21 ARG 85 1HH2 ARG 85 -4.751 -4.478 -16.762 711 HH22 ARG 85 2HH2 ARG 85 -6.408 -4.923 -17.025 712 H LEU 86 H LEU 86 -3.893 4.511 -15.096 713 HA LEU 86 HA LEU 86 -6.237 6.041 -15.733 714 HB2 LEU 86 2HB LEU 86 -3.718 6.723 -14.188 715 HB3 LEU 86 1HB LEU 86 -5.036 7.861 -14.412 716 HG LEU 86 HG LEU 86 -5.274 5.196 -12.959 717 HD11 LEU 86 1HD1 LEU 86 -5.401 6.506 -10.906 718 HD12 LEU 86 2HD1 LEU 86 -5.175 8.004 -11.811 719 HD13 LEU 86 3HD1 LEU 86 -3.879 6.809 -11.738 720 HD21 LEU 86 1HD2 LEU 86 -7.491 6.008 -12.243 721 HD22 LEU 86 2HD2 LEU 86 -7.398 5.825 -13.993 722 HD23 LEU 86 3HD2 LEU 86 -7.308 7.434 -13.269 723 H ASP 87 H ASP 87 -2.902 5.935 -16.963 724 HA ASP 87 HA ASP 87 -2.958 8.211 -18.641 725 HB2 ASP 87 2HB ASP 87 -1.667 5.487 -19.166 726 HB3 ASP 87 1HB ASP 87 -1.463 6.868 -20.237 727 H GLU 88 H GLU 88 -3.965 4.854 -19.199 728 HA GLU 88 HA GLU 88 -4.940 5.092 -21.809 729 HB2 GLU 88 2HB GLU 88 -4.428 2.937 -20.580 730 HB3 GLU 88 1HB GLU 88 -5.899 3.164 -19.641 731 HG2 GLU 88 2HG GLU 88 -6.269 1.551 -21.437 732 HG3 GLU 88 1HG GLU 88 -7.250 2.990 -21.709 733 H LEU 89 H LEU 89 -6.824 4.933 -18.786 734 HA LEU 89 HA LEU 89 -9.364 5.422 -19.705 735 HB2 LEU 89 2HB LEU 89 -8.148 6.086 -16.996 736 HB3 LEU 89 1HB LEU 89 -9.870 6.172 -17.326 737 HG LEU 89 HG LEU 89 -8.198 3.627 -17.465 738 HD11 LEU 89 1HD1 LEU 89 -10.197 4.487 -15.344 739 HD12 LEU 89 2HD1 LEU 89 -8.442 4.419 -15.153 740 HD13 LEU 89 3HD1 LEU 89 -9.355 2.934 -15.418 741 HD21 LEU 89 1HD2 LEU 89 -10.337 2.446 -17.703 742 HD22 LEU 89 2HD2 LEU 89 -10.075 3.564 -19.040 743 HD23 LEU 89 3HD2 LEU 89 -11.200 3.987 -17.746 744 H SER 90 H SER 90 -6.941 7.857 -18.611 745 HA SER 90 HA SER 90 -8.567 10.141 -18.976 746 HB2 SER 90 2HB SER 90 -5.536 9.881 -19.163 747 HB3 SER 90 1HB SER 90 -6.394 11.423 -19.195 748 HG SER 90 HG SER 90 -5.760 9.848 -17.080 749 H SER 91 H SER 91 -6.352 8.462 -21.222 750 HA SER 91 HA SER 91 -6.671 10.240 -23.413 751 HB2 SER 91 2HB SER 91 -5.814 7.321 -23.405 752 HB3 SER 91 1HB SER 91 -5.597 8.451 -24.746 753 HG SER 91 HG SER 91 -4.603 9.050 -22.175 754 H LEU 92 H LEU 92 -8.656 7.590 -22.271 755 HA LEU 92 HA LEU 92 -10.270 7.322 -24.660 756 HB2 LEU 92 2HB LEU 92 -10.974 6.458 -21.825 757 HB3 LEU 92 1HB LEU 92 -11.708 5.878 -23.309 758 HG LEU 92 HG LEU 92 -8.908 5.288 -22.307 759 HD11 LEU 92 1HD1 LEU 92 -11.279 3.457 -22.685 760 HD12 LEU 92 2HD1 LEU 92 -10.610 4.018 -21.150 761 HD13 LEU 92 3HD1 LEU 92 -9.659 2.959 -22.188 762 HD21 LEU 92 1HD2 LEU 92 -8.601 3.841 -24.258 763 HD22 LEU 92 2HD2 LEU 92 -8.791 5.530 -24.720 764 HD23 LEU 92 3HD2 LEU 92 -10.136 4.403 -24.927 765 H ILE 93 H ILE 93 -10.646 8.843 -21.477 766 HA ILE 93 HA ILE 93 -13.415 9.630 -21.987 767 HB ILE 93 HB ILE 93 -11.684 9.763 -19.468 768 HG12 ILE 93 2HG1 ILE 93 -13.917 7.784 -20.142 769 HG13 ILE 93 1HG1 ILE 93 -12.211 7.440 -20.381 770 HG21 ILE 93 1HG2 ILE 93 -13.782 10.139 -18.223 771 HG22 ILE 93 2HG2 ILE 93 -14.679 10.205 -19.739 772 HG23 ILE 93 3HG2 ILE 93 -13.480 11.444 -19.371 773 HD11 ILE 93 1HD1 ILE 93 -11.839 7.692 -17.960 774 HD12 ILE 93 2HD1 ILE 93 -12.981 6.412 -18.361 775 HD13 ILE 93 3HD1 ILE 93 -13.572 7.951 -17.740 776 H GLY 94 H GLY 94 -10.462 11.253 -20.731 777 HA2 GLY 94 2HA GLY 94 -11.353 13.841 -21.891 778 HA3 GLY 94 1HA GLY 94 -10.834 13.729 -20.211 779 H GLN 95 H GLN 95 -9.775 13.006 -23.513 780 HA GLN 95 HA GLN 95 -7.044 12.526 -22.910 781 HB2 GLN 95 2HB GLN 95 -8.350 11.634 -24.900 782 HB3 GLN 95 1HB GLN 95 -8.254 13.239 -25.622 783 HG2 GLN 95 2HG GLN 95 -5.773 13.051 -25.640 784 HG3 GLN 95 1HG GLN 95 -5.906 11.428 -24.954 785 HE21 GLN 95 1HE2 GLN 95 -6.845 9.750 -26.281 786 HE22 GLN 95 2HE2 GLN 95 -6.850 9.897 -28.002 787 H VAL 96 H VAL 96 -6.424 14.353 -21.702 788 HA VAL 96 HA VAL 96 -6.085 16.947 -23.108 789 HB VAL 96 HB VAL 96 -6.022 16.303 -20.117 790 HG11 VAL 96 1HG1 VAL 96 -4.503 18.164 -20.594 791 HG12 VAL 96 2HG1 VAL 96 -5.926 18.745 -19.728 792 HG13 VAL 96 3HG1 VAL 96 -5.781 19.017 -21.466 793 HG21 VAL 96 1HG2 VAL 96 -8.300 16.175 -21.031 794 HG22 VAL 96 2HG2 VAL 96 -8.139 17.797 -21.705 795 HG23 VAL 96 3HG2 VAL 96 -8.137 17.565 -19.953 796 H LEU 97 H LEU 97 -4.494 14.657 -20.905 797 HA LEU 97 HA LEU 97 -1.928 14.826 -22.162 798 HB2 LEU 97 2HB LEU 97 -2.247 17.009 -20.709 799 HB3 LEU 97 1HB LEU 97 -2.049 15.966 -19.324 800 HG LEU 97 HG LEU 97 -0.005 17.351 -20.185 801 HD11 LEU 97 1HD1 LEU 97 0.234 15.677 -18.427 802 HD12 LEU 97 2HD1 LEU 97 1.638 15.703 -19.489 803 HD13 LEU 97 3HD1 LEU 97 0.446 14.408 -19.635 804 HD21 LEU 97 1HD2 LEU 97 -0.204 16.757 -22.571 805 HD22 LEU 97 2HD2 LEU 97 0.185 15.078 -22.194 806 HD23 LEU 97 3HD2 LEU 97 1.385 16.345 -21.925 807 H PHE 98 H PHE 98 -0.395 13.351 -21.031 808 HA PHE 98 HA PHE 98 -1.465 10.924 -20.077 809 HB2 PHE 98 2HB PHE 98 1.366 11.978 -19.625 810 HB3 PHE 98 1HB PHE 98 0.865 10.290 -19.602 811 HD1 PHE 98 HD1 PHE 98 2.044 13.018 -21.663 812 HD2 PHE 98 HD2 PHE 98 0.033 9.238 -21.799 813 HE1 PHE 98 HE1 PHE 98 2.540 12.835 -24.060 814 HE2 PHE 98 HE2 PHE 98 0.540 9.066 -24.204 815 HZ PHE 98 HZ PHE 98 1.793 10.866 -25.334 816 H GLN 99 H GLN 99 -1.344 9.974 -17.943 817 HA GLN 99 HA GLN 99 -2.326 11.608 -15.891 818 HB2 GLN 99 2HB GLN 99 -2.745 9.126 -16.168 819 HB3 GLN 99 1HB GLN 99 -1.145 8.832 -15.510 820 HG2 GLN 99 2HG GLN 99 -3.213 10.395 -13.947 821 HG3 GLN 99 1HG GLN 99 -3.214 8.646 -13.943 822 HE21 GLN 99 1HE2 GLN 99 -2.887 10.390 -11.699 823 HE22 GLN 99 2HE2 GLN 99 -1.351 10.021 -11.006 824 H GLY 100 H GLY 100 -1.057 13.255 -15.229 825 HA2 GLY 100 2HA GLY 100 1.597 12.822 -14.068 826 HA3 GLY 100 1HA GLY 100 0.670 14.319 -14.101 827 HA PRO 101 HA PRO 101 0.545 11.968 -9.816 828 HB2 PRO 101 2HB PRO 101 1.666 14.114 -8.376 829 HB3 PRO 101 1HB PRO 101 2.563 12.696 -8.950 830 HG2 PRO 101 2HG PRO 101 2.314 15.402 -10.227 831 HG3 PRO 101 1HG PRO 101 3.759 14.381 -10.040 832 HD2 PRO 101 2HD PRO 101 2.498 14.497 -12.394 833 HD3 PRO 101 1HD PRO 101 3.118 12.935 -11.801 834 H SER 102 H SER 102 -0.022 15.328 -10.763 835 HA SER 102 HA SER 102 -2.804 15.189 -9.972 836 HB2 SER 102 2HB SER 102 -1.688 16.015 -7.880 837 HB3 SER 102 1HB SER 102 -1.003 17.363 -8.788 838 HG SER 102 HG SER 102 -3.052 18.165 -9.121 839 H ALA 103 H ALA 103 -3.932 16.178 -11.600 840 HA ALA 103 HA ALA 103 -3.113 18.579 -12.947 841 HB1 ALA 103 1HB ALA 103 -2.820 17.645 -15.219 842 HB2 ALA 103 2HB ALA 103 -2.988 16.005 -14.586 843 HB3 ALA 103 3HB ALA 103 -1.604 16.995 -14.118 844 H GLY 104 H GLY 104 -4.707 19.197 -14.633 845 HA2 GLY 104 2HA GLY 104 -7.423 18.524 -13.943 846 HA3 GLY 104 1HA GLY 104 -6.894 19.636 -15.197 847 H LEU 105 H LEU 105 -7.091 16.186 -14.447 848 HA LEU 105 HA LEU 105 -7.546 15.510 -17.302 849 HB2 LEU 105 2HB LEU 105 -6.321 13.759 -15.126 850 HB3 LEU 105 1HB LEU 105 -6.553 13.301 -16.809 851 HG LEU 105 HG LEU 105 -4.668 15.483 -15.821 852 HD11 LEU 105 1HD1 LEU 105 -4.040 12.725 -16.902 853 HD12 LEU 105 2HD1 LEU 105 -3.866 13.260 -15.228 854 HD13 LEU 105 3HD1 LEU 105 -2.861 13.974 -16.487 855 HD21 LEU 105 1HD2 LEU 105 -3.833 15.546 -18.149 856 HD22 LEU 105 2HD2 LEU 105 -5.519 16.044 -18.029 857 HD23 LEU 105 3HD2 LEU 105 -5.117 14.435 -18.634 858 H VAL 106 H VAL 106 -9.358 14.321 -17.742 859 HA VAL 106 HA VAL 106 -11.576 13.877 -17.564 860 HB VAL 106 HB VAL 106 -10.733 12.450 -14.986 861 HG11 VAL 106 1HG1 VAL 106 -13.178 12.563 -15.187 862 HG12 VAL 106 2HG1 VAL 106 -12.605 10.905 -15.381 863 HG13 VAL 106 3HG1 VAL 106 -13.089 11.845 -16.796 864 HG21 VAL 106 1HG2 VAL 106 -9.293 11.747 -16.860 865 HG22 VAL 106 2HG2 VAL 106 -10.715 11.359 -17.830 866 HG23 VAL 106 3HG2 VAL 106 -10.361 10.425 -16.374 867 HA PRO 107 HA PRO 107 -11.899 17.263 -14.230 868 HB2 PRO 107 2HB PRO 107 -11.901 19.496 -16.049 869 HB3 PRO 107 1HB PRO 107 -10.533 18.923 -15.080 870 HG2 PRO 107 2HG PRO 107 -10.681 18.842 -17.878 871 HG3 PRO 107 1HG PRO 107 -9.530 17.937 -16.874 872 HD2 PRO 107 2HD PRO 107 -12.113 17.006 -18.099 873 HD3 PRO 107 1HD PRO 107 -10.568 16.139 -17.920 874 H ARG 108 H ARG 108 -13.869 16.333 -16.789 875 HA ARG 108 HA ARG 108 -16.232 17.202 -15.363 876 HB2 ARG 108 2HB ARG 108 -15.566 18.980 -17.230 877 HB3 ARG 108 1HB ARG 108 -16.186 17.778 -18.355 878 HG2 ARG 108 2HG ARG 108 -17.976 19.282 -17.967 879 HG3 ARG 108 1HG ARG 108 -18.372 17.841 -17.035 880 HD2 ARG 108 2HD ARG 108 -17.050 20.291 -15.832 881 HD3 ARG 108 1HD ARG 108 -18.794 20.076 -15.904 882 HE ARG 108 HE ARG 108 -17.105 18.107 -14.478 883 HH11 ARG 108 1HH1 ARG 108 -19.663 20.527 -14.361 884 HH12 ARG 108 2HH1 ARG 108 -20.142 20.105 -12.744 885 HH21 ARG 108 1HH2 ARG 108 -17.727 17.590 -12.367 886 HH22 ARG 108 2HH2 ARG 108 -19.045 18.446 -11.617 887 H GLY 109 H GLY 109 -15.044 14.796 -15.484 888 HA2 GLY 109 2HA GLY 109 -15.870 13.074 -17.599 889 HA3 GLY 109 1HA GLY 109 -15.203 12.593 -16.048 890 H SER 110 H SER 110 -18.152 13.569 -17.706 891 HA SER 110 HA SER 110 -20.316 12.942 -17.571 892 HB2 SER 110 2HB SER 110 -19.251 10.572 -15.985 893 HB3 SER 110 1HB SER 110 -20.803 10.642 -16.814 894 HG SER 110 HG SER 110 -18.859 9.599 -17.883 895 H GLY 111 H GLY 111 -18.908 14.340 -15.088 896 HA2 GLY 111 2HA GLY 111 -19.458 15.168 -13.038 897 HA3 GLY 111 1HA GLY 111 -21.132 14.875 -13.469 898 H GLY 112 H GLY 112 -18.743 12.264 -13.282 899 HA2 GLY 112 2HA GLY 112 -19.932 11.248 -10.770 900 HA3 GLY 112 1HA GLY 112 -20.079 10.280 -12.229 901 H ILE 113 H ILE 113 -17.872 10.037 -13.423 902 HA ILE 113 HA ILE 113 -16.245 8.424 -11.752 903 HB ILE 113 HB ILE 113 -14.784 8.104 -13.761 904 HG12 ILE 113 2HG1 ILE 113 -16.656 10.161 -15.011 905 HG13 ILE 113 1HG1 ILE 113 -14.926 10.333 -14.757 906 HG21 ILE 113 1HG2 ILE 113 -17.762 7.822 -14.296 907 HG22 ILE 113 2HG2 ILE 113 -16.749 6.670 -13.424 908 HG23 ILE 113 3HG2 ILE 113 -16.478 6.957 -15.142 909 HD11 ILE 113 1HD1 ILE 113 -15.427 9.925 -17.067 910 HD12 ILE 113 2HD1 ILE 113 -16.253 8.420 -16.666 911 HD13 ILE 113 3HD1 ILE 113 -14.515 8.578 -16.395 912 H GLU 114 H GLU 114 -16.079 11.773 -12.406 913 HA GLU 114 HA GLU 114 -13.461 12.555 -12.077 914 HB2 GLU 114 2HB GLU 114 -15.874 13.800 -10.702 915 HB3 GLU 114 1HB GLU 114 -14.340 14.599 -11.031 916 HG2 GLU 114 2HG GLU 114 -14.755 14.514 -13.439 917 HG3 GLU 114 1HG GLU 114 -16.235 13.585 -13.173 918 H GLY 115 H GLY 115 -15.738 11.427 -9.586 919 HA2 GLY 115 2HA GLY 115 -14.183 11.931 -7.279 920 HA3 GLY 115 1HA GLY 115 -15.468 10.741 -7.417 921 H MET1001 H MET 1 -14.380 9.105 -9.416 922 HA MET1001 HA MET 1 -12.696 7.350 -7.945 923 HB2 MET1001 2HB MET 1 -14.263 6.490 -9.621 924 HB3 MET1001 1HB MET 1 -13.470 7.400 -10.894 925 HG2 MET1001 2HG MET 1 -11.412 5.987 -10.516 926 HG3 MET1001 1HG MET 1 -12.363 5.009 -9.398 927 HE1 MET1001 1HE MET 1 -13.346 5.370 -13.914 928 HE2 MET1001 2HE MET 1 -11.968 6.182 -13.178 929 HE3 MET1001 3HE MET 1 -13.611 6.695 -12.779 930 H THR1002 H THR 2 -12.072 9.638 -10.630 931 HA THR1002 HA THR 2 -9.328 8.904 -10.974 932 HB THR1002 HB THR 2 -9.173 11.100 -12.283 933 HG1 THR1002 HG1 THR 2 -10.909 12.366 -12.449 934 HG21 THR1002 1HG2 THR 2 -10.581 10.298 -14.155 935 HG22 THR1002 2HG2 THR 2 -11.386 9.165 -13.067 936 HG23 THR1002 3HG2 THR 2 -9.665 8.979 -13.424 937 H THR1003 H THR 3 -10.933 11.577 -9.208 938 HA THR1003 HA THR 3 -8.703 12.852 -8.114 939 HB THR1003 HB THR 3 -11.487 12.438 -6.936 940 HG1 THR1003 HG1 THR 3 -11.385 13.648 -8.860 941 HG21 THR1003 1HG2 THR 3 -11.015 14.388 -5.455 942 HG22 THR1003 2HG2 THR 3 -9.331 14.368 -5.981 943 HG23 THR1003 3HG2 THR 3 -9.980 13.007 -5.068 944 H ARG1004 H ARG 4 -10.584 10.110 -6.814 945 HA ARG1004 HA ARG 4 -9.208 9.519 -4.490 946 HB2 ARG1004 2HB ARG 4 -10.736 7.807 -6.457 947 HB3 ARG1004 1HB ARG 4 -9.875 7.022 -5.141 948 HG2 ARG1004 2HG ARG 4 -11.189 8.296 -3.505 949 HG3 ARG1004 1HG ARG 4 -12.062 9.097 -4.817 950 HD2 ARG1004 2HD ARG 4 -13.096 7.055 -5.503 951 HD3 ARG1004 1HD ARG 4 -11.995 6.077 -4.529 952 HE ARG1004 HE ARG 4 -14.297 7.626 -3.583 953 HH11 ARG1004 1HH1 ARG 4 -11.668 5.425 -2.832 954 HH12 ARG1004 2HH1 ARG 4 -12.341 4.964 -1.298 955 HH21 ARG1004 1HH2 ARG 4 -15.155 7.029 -1.582 956 HH22 ARG1004 2HH2 ARG 4 -14.315 5.880 -0.592 957 H LEU1005 H LEU 5 -8.659 8.086 -7.728 958 HA LEU1005 HA LEU 5 -6.503 6.473 -6.856 959 HB2 LEU1005 2HB LEU 5 -7.535 7.101 -9.640 960 HB3 LEU1005 1HB LEU 5 -6.196 6.004 -9.345 961 HG LEU1005 HG LEU 5 -9.075 5.612 -8.432 962 HD11 LEU1005 1HD1 LEU 5 -7.399 4.082 -10.451 963 HD12 LEU1005 2HD1 LEU 5 -8.743 5.171 -10.810 964 HD13 LEU1005 3HD1 LEU 5 -9.042 3.665 -9.945 965 HD21 LEU1005 1HD2 LEU 5 -6.679 3.814 -7.891 966 HD22 LEU1005 2HD2 LEU 5 -8.365 3.423 -7.541 967 HD23 LEU1005 3HD2 LEU 5 -7.580 4.749 -6.691 968 H THR1006 H THR 6 -6.554 9.725 -8.261 969 HA THR1006 HA THR 6 -3.735 9.777 -8.866 970 HB THR1006 HB THR 6 -4.006 12.304 -8.945 971 HG1 THR1006 HG1 THR 6 -6.790 11.916 -8.724 972 HG21 THR1006 1HG2 THR 6 -4.332 10.938 -10.992 973 HG22 THR1006 2HG2 THR 6 -5.400 12.343 -10.980 974 HG23 THR1006 3HG2 THR 6 -6.044 10.745 -10.592 975 H ARG1007 H ARG 7 -5.722 10.964 -6.117 976 HA ARG1007 HA ARG 7 -3.563 11.773 -4.443 977 HB2 ARG1007 2HB ARG 7 -6.398 10.907 -3.741 978 HB3 ARG1007 1HB ARG 7 -5.265 11.565 -2.566 979 HG2 ARG1007 2HG ARG 7 -6.423 13.000 -4.970 980 HG3 ARG1007 1HG ARG 7 -6.798 13.294 -3.271 981 HD2 ARG1007 2HD ARG 7 -4.184 13.853 -4.704 982 HD3 ARG1007 1HD ARG 7 -5.305 15.025 -4.008 983 HE ARG1007 HE ARG 7 -4.506 13.393 -1.916 984 HH11 ARG1007 1HH1 ARG 7 -2.942 15.645 -4.109 985 HH12 ARG1007 2HH1 ARG 7 -1.684 16.059 -2.988 986 HH21 ARG1007 1HH2 ARG 7 -2.801 13.854 -0.488 987 HH22 ARG1007 2HH2 ARG 7 -1.606 15.039 -0.930 988 H TRP1008 H TRP 8 -4.995 8.715 -5.113 989 HA TRP1008 HA TRP 8 -3.997 7.206 -2.908 990 HB2 TRP1008 2HB TRP 8 -5.917 6.281 -3.877 991 HB3 TRP1008 1HB TRP 8 -5.411 6.655 -5.510 992 HD1 TRP1008 HD1 TRP 8 -3.865 4.858 -6.754 993 HE1 TRP1008 HE1 TRP 8 -3.561 2.357 -6.376 994 HE3 TRP1008 HE3 TRP 8 -5.810 4.464 -2.048 995 HZ2 TRP1008 HZ2 TRP 8 -4.103 0.436 -4.439 996 HZ3 TRP1008 HZ3 TRP 8 -5.903 2.239 -1.005 997 HH2 TRP1008 HH2 TRP 8 -5.061 0.267 -2.178 998 H LEU1009 H LEU 9 -2.881 7.763 -6.294 999 HA LEU1009 HA LEU 9 -0.637 5.946 -6.119 1000 HB2 LEU1009 2HB LEU 9 -1.154 8.212 -8.101 1001 HB3 LEU1009 1HB LEU 9 0.146 7.041 -8.243 1002 HG LEU1009 HG LEU 9 -2.830 6.487 -8.513 1003 HD11 LEU1009 1HD1 LEU 9 -0.597 6.263 -10.550 1004 HD12 LEU1009 2HD1 LEU 9 -1.815 7.539 -10.478 1005 HD13 LEU1009 3HD1 LEU 9 -2.303 5.880 -10.817 1006 HD21 LEU1009 1HD2 LEU 9 -2.244 4.156 -8.994 1007 HD22 LEU1009 2HD2 LEU 9 -1.817 4.609 -7.348 1008 HD23 LEU1009 3HD2 LEU 9 -0.561 4.489 -8.582 1009 H THR1010 H THR 10 -1.199 9.358 -5.642 1010 HA THR1010 HA THR 10 1.373 10.306 -5.077 1011 HB THR1010 HB THR 10 -1.379 11.111 -4.042 1012 HG1 THR1010 HG1 THR 10 -0.714 11.344 -6.351 1013 HG21 THR1010 1HG2 THR 10 0.251 11.944 -2.422 1014 HG22 THR1010 2HG2 THR 10 -0.388 13.282 -3.382 1015 HG23 THR1010 3HG2 THR 10 1.220 12.640 -3.721 1016 H ALA1011 H ALA 11 -1.101 8.833 -2.933 1017 HA ALA1011 HA ALA 11 0.415 8.996 -0.516 1018 HB1 ALA1011 1HB ALA 11 -1.375 7.612 0.448 1019 HB2 ALA1011 2HB ALA 11 -2.003 7.278 -1.168 1020 HB3 ALA1011 3HB ALA 11 -2.046 8.922 -0.526 1021 H LEU1012 H LEU 12 0.123 6.568 -3.058 1022 HA LEU1012 HA LEU 12 1.275 4.373 -1.619 1023 HB2 LEU1012 2HB LEU 12 1.056 4.804 -4.637 1024 HB3 LEU1012 1HB LEU 12 1.586 3.316 -3.875 1025 HG LEU1012 HG LEU 12 -1.202 4.480 -3.983 1026 HD11 LEU1012 1HD1 LEU 12 -1.797 2.247 -4.809 1027 HD12 LEU1012 2HD1 LEU 12 -0.113 1.739 -4.662 1028 HD13 LEU1012 3HD1 LEU 12 -0.557 3.011 -5.802 1029 HD21 LEU1012 1HD2 LEU 12 -0.924 3.960 -1.635 1030 HD22 LEU1012 2HD2 LEU 12 -0.289 2.357 -2.018 1031 HD23 LEU1012 3HD2 LEU 12 -1.972 2.755 -2.383 1032 H ASP1013 H ASP 13 2.544 6.547 -4.162 1033 HA ASP1013 HA ASP 13 5.214 5.633 -4.075 1034 HB2 ASP1013 2HB ASP 13 4.099 6.994 -5.945 1035 HB3 ASP1013 1HB ASP 13 4.342 8.426 -4.955 1036 H ASN1014 H ASN 14 3.485 8.120 -2.260 1037 HA ASN1014 HA ASN 14 5.581 9.340 -0.831 1038 HB2 ASN1014 2HB ASN 14 3.402 10.364 -0.762 1039 HB3 ASN1014 1HB ASN 14 2.637 8.887 -0.188 1040 HD21 ASN1014 1HD2 ASN 14 2.731 8.385 2.002 1041 HD22 ASN1014 2HD2 ASN 14 3.241 9.526 3.195 1042 H PHE1015 H PHE 15 3.555 6.489 -0.056 1043 HA PHE1015 HA PHE 15 4.678 5.849 2.441 1044 HB2 PHE1015 2HB PHE 15 2.593 4.836 1.935 1045 HB3 PHE1015 1HB PHE 15 3.141 4.244 0.376 1046 HD1 PHE1015 HD1 PHE 15 3.755 2.008 0.182 1047 HD2 PHE1015 HD2 PHE 15 3.786 3.748 4.065 1048 HE1 PHE1015 HE1 PHE 15 4.206 -0.190 1.139 1049 HE2 PHE1015 HE2 PHE 15 4.249 1.529 5.042 1050 HZ PHE1015 HZ PHE 15 4.459 -0.446 3.572 1051 H GLU1016 H GLU 16 5.279 4.345 -0.765 1052 HA GLU1016 HA GLU 16 7.274 2.597 -0.121 1053 HB2 GLU1016 2HB GLU 16 6.148 2.669 -2.323 1054 HB3 GLU1016 1HB GLU 16 7.008 4.157 -2.722 1055 HG2 GLU1016 2HG GLU 16 9.183 2.849 -2.426 1056 HG3 GLU1016 1HG GLU 16 8.200 1.390 -2.323 1057 H ALA1017 H ALA 17 7.697 5.977 -1.197 1058 HA ALA1017 HA ALA 17 10.512 6.036 -1.209 1059 HB1 ALA1017 1HB ALA 17 10.286 8.482 -1.238 1060 HB2 ALA1017 2HB ALA 17 8.582 8.342 -0.787 1061 HB3 ALA1017 3HB ALA 17 9.140 7.727 -2.346 1062 H LYS1018 H LYS 18 8.234 7.302 1.256 1063 HA LYS1018 HA LYS 18 10.209 8.117 3.101 1064 HB2 LYS1018 2HB LYS 18 7.931 9.069 3.048 1065 HB3 LYS1018 1HB LYS 18 7.256 7.527 3.553 1066 HG2 LYS1018 2HG LYS 18 7.344 9.142 5.417 1067 HG3 LYS1018 1HG LYS 18 8.337 7.720 5.741 1068 HD2 LYS1018 2HD LYS 18 9.505 9.740 6.473 1069 HD3 LYS1018 1HD LYS 18 10.371 9.017 5.115 1070 HE2 LYS1018 2HE LYS 18 10.264 11.465 4.909 1071 HE3 LYS1018 1HE LYS 18 9.374 10.694 3.597 1072 HZ1 LYS1018 1HZ LYS 18 8.206 12.594 4.572 1073 HZ2 LYS1018 2HZ LYS 18 8.149 11.803 6.064 1074 HZ3 LYS1018 3HZ LYS 18 7.323 11.164 4.737 1075 H MET1019 H MET 19 8.615 5.029 2.639 1076 HA MET1019 HA MET 19 9.472 4.035 5.228 1077 HB2 MET1019 2HB MET 19 8.176 2.144 4.904 1078 HB3 MET1019 1HB MET 19 7.245 3.394 4.109 1079 HG2 MET1019 2HG MET 19 7.436 2.407 2.054 1080 HG3 MET1019 1HG MET 19 9.094 1.873 2.332 1081 HE1 MET1019 1HE MET 19 8.532 0.411 5.252 1082 HE2 MET1019 2HE MET 19 9.683 -0.105 4.014 1083 HE3 MET1019 3HE MET 19 8.482 -1.235 4.638 1084 H ALA1020 H ALA 20 10.584 3.944 1.922 1085 HA ALA1020 HA ALA 20 12.760 2.120 2.335 1086 HB1 ALA1020 1HB ALA 20 11.999 2.744 0.077 1087 HB2 ALA1020 2HB ALA 20 13.708 3.128 0.286 1088 HB3 ALA1020 3HB ALA 20 12.496 4.414 0.350 1089 H LEU1021 H LEU 21 12.184 5.517 3.013 1090 HA LEU1021 HA LEU 21 14.897 6.140 3.822 1091 HB2 LEU1021 2HB LEU 21 12.293 7.648 4.319 1092 HB3 LEU1021 1HB LEU 21 13.906 8.284 4.612 1093 HG LEU1021 HG LEU 21 12.773 7.547 1.884 1094 HD11 LEU1021 1HD1 LEU 21 11.704 9.547 2.774 1095 HD12 LEU1021 2HD1 LEU 21 12.747 9.952 1.414 1096 HD13 LEU1021 3HD1 LEU 21 13.278 10.292 3.064 1097 HD21 LEU1021 1HD2 LEU 21 15.175 7.165 1.924 1098 HD22 LEU1021 2HD2 LEU 21 15.455 8.786 2.565 1099 HD23 LEU1021 3HD2 LEU 21 14.800 8.577 0.938 1100 H LEU1022 H LEU 22 12.026 4.838 5.432 1101 HA LEU1022 HA LEU 22 12.455 5.306 8.106 1102 HB2 LEU1022 2HB LEU 22 11.438 2.823 6.720 1103 HB3 LEU1022 1HB LEU 22 11.582 2.854 8.464 1104 HG LEU1022 HG LEU 22 9.792 4.681 6.813 1105 HD11 LEU1022 1HD1 LEU 22 7.937 3.431 7.827 1106 HD12 LEU1022 2HD1 LEU 22 9.078 2.365 8.651 1107 HD13 LEU1022 3HD1 LEU 22 8.977 2.363 6.888 1108 HD21 LEU1022 1HD2 LEU 22 10.093 4.473 9.822 1109 HD22 LEU1022 2HD2 LEU 22 8.872 5.424 8.968 1110 HD23 LEU1022 3HD2 LEU 22 10.577 5.843 8.814 1111 HA PRO1023 HA PRO 23 16.632 3.580 8.470 1112 HB2 PRO1023 2HB PRO 23 17.319 4.675 10.857 1113 HB3 PRO1023 1HB PRO 23 17.099 5.683 9.415 1114 HG2 PRO1023 2HG PRO 23 15.225 5.262 11.717 1115 HG3 PRO1023 1HG PRO 23 15.594 6.754 10.826 1116 HD2 PRO1023 2HD PRO 23 13.352 5.162 10.371 1117 HD3 PRO1023 1HD PRO 23 14.028 6.314 9.197 1118 H ALA1024 H ALA 24 16.142 1.388 8.573 1119 HA ALA1024 HA ALA 24 15.794 -0.707 9.341 1120 HB1 ALA1024 1HB ALA 24 17.666 -0.265 10.883 1121 HB2 ALA1024 2HB ALA 24 16.464 -1.316 11.636 1122 HB3 ALA1024 3HB ALA 24 16.540 0.393 12.070 1123 H VAL1025 H VAL 25 13.724 1.070 9.004 1124 HA VAL1025 HA VAL 25 11.518 1.177 8.994 1125 HB VAL1025 HB VAL 25 11.247 -1.164 10.915 1126 HG11 VAL1025 1HG1 VAL 25 9.435 -0.128 8.697 1127 HG12 VAL1025 2HG1 VAL 25 9.169 0.052 10.432 1128 HG13 VAL1025 3HG1 VAL 25 9.116 -1.551 9.698 1129 HG21 VAL1025 1HG2 VAL 25 11.216 -2.684 8.967 1130 HG22 VAL1025 2HG2 VAL 25 12.779 -1.885 9.143 1131 HG23 VAL1025 3HG2 VAL 25 11.645 -1.333 7.910 Start of MODEL 5 1 H1 MET 1 1H MET 1 6.437 -5.941 25.409 2 H2 MET 1 2H MET 1 4.814 -6.009 24.943 3 H3 MET 1 3H MET 1 5.546 -4.516 25.232 4 HA MET 1 HA MET 1 6.954 -4.729 23.365 5 HB2 MET 1 2HB MET 1 6.928 -6.704 21.904 6 HB3 MET 1 1HB MET 1 7.307 -7.191 23.549 7 HG2 MET 1 2HG MET 1 5.008 -8.012 23.850 8 HG3 MET 1 1HG MET 1 4.600 -7.487 22.211 9 HE1 MET 1 1HE MET 1 3.705 -9.933 21.586 10 HE2 MET 1 2HE MET 1 4.069 -10.481 23.225 11 HE3 MET 1 3HE MET 1 4.652 -11.399 21.838 12 H THR 2 H THR 2 4.319 -3.608 24.048 13 HA THR 2 HA THR 2 2.311 -4.111 22.171 14 HB THR 2 HB THR 2 1.562 -1.679 22.699 15 HG1 THR 2 HG1 THR 2 2.918 -0.475 23.766 16 HG21 THR 2 1HG2 THR 2 2.013 -3.589 25.025 17 HG22 THR 2 2HG2 THR 2 0.641 -3.615 23.915 18 HG23 THR 2 3HG2 THR 2 0.870 -2.244 25.001 19 H SER 3 H SER 3 4.931 -1.681 22.030 20 HA SER 3 HA SER 3 4.470 -0.484 19.577 21 HB2 SER 3 2HB SER 3 6.975 -0.106 19.557 22 HB3 SER 3 1HB SER 3 6.207 0.315 21.086 23 HG SER 3 HG SER 3 7.901 -0.884 21.700 24 H THR 4 H THR 4 6.282 -3.434 20.292 25 HA THR 4 HA THR 4 7.218 -4.052 17.718 26 HB THR 4 HB THR 4 6.808 -5.757 20.203 27 HG1 THR 4 HG1 THR 4 8.558 -3.871 19.590 28 HG21 THR 4 1HG2 THR 4 8.414 -7.363 19.196 29 HG22 THR 4 2HG2 THR 4 8.346 -6.461 17.681 30 HG23 THR 4 3HG2 THR 4 6.905 -7.279 18.288 31 H VAL 5 H VAL 5 4.441 -5.448 19.537 32 HA VAL 5 HA VAL 5 3.743 -7.316 17.536 33 HB VAL 5 HB VAL 5 3.159 -7.687 19.912 34 HG11 VAL 5 1HG1 VAL 5 1.283 -6.530 21.006 35 HG12 VAL 5 2HG1 VAL 5 1.126 -5.457 19.614 36 HG13 VAL 5 3HG1 VAL 5 2.586 -5.410 20.601 37 HG21 VAL 5 1HG2 VAL 5 0.705 -7.620 18.121 38 HG22 VAL 5 2HG2 VAL 5 0.875 -8.580 19.593 39 HG23 VAL 5 3HG2 VAL 5 1.902 -8.915 18.198 40 H GLU 6 H GLU 6 2.521 -4.044 18.322 41 HA GLU 6 HA GLU 6 0.469 -3.943 16.367 42 HB2 GLU 6 2HB GLU 6 2.100 -1.706 17.630 43 HB3 GLU 6 1HB GLU 6 0.722 -1.423 16.563 44 HG2 GLU 6 2HG GLU 6 -0.768 -2.570 18.139 45 HG3 GLU 6 1HG GLU 6 0.601 -2.929 19.196 46 H PHE 7 H PHE 7 3.933 -3.075 16.270 47 HA PHE 7 HA PHE 7 4.136 -1.947 13.734 48 HB2 PHE 7 2HB PHE 7 5.882 -2.083 15.589 49 HB3 PHE 7 1HB PHE 7 6.190 -3.741 15.100 50 HD1 PHE 7 HD1 PHE 7 8.199 -3.974 13.926 51 HD2 PHE 7 HD2 PHE 7 5.869 -0.417 13.370 52 HE1 PHE 7 HE1 PHE 7 9.883 -3.097 12.369 53 HE2 PHE 7 HE2 PHE 7 7.560 0.439 11.814 54 HZ PHE 7 HZ PHE 7 9.566 -0.899 11.320 55 H ILE 8 H ILE 8 4.542 -5.359 14.692 56 HA ILE 8 HA ILE 8 5.039 -6.498 12.156 57 HB ILE 8 HB ILE 8 3.911 -7.798 14.686 58 HG12 ILE 8 2HG1 ILE 8 6.814 -7.771 13.731 59 HG13 ILE 8 1HG1 ILE 8 6.171 -6.634 14.909 60 HG21 ILE 8 1HG2 ILE 8 4.735 -9.953 13.778 61 HG22 ILE 8 2HG2 ILE 8 5.211 -9.142 12.283 62 HG23 ILE 8 3HG2 ILE 8 3.506 -9.241 12.731 63 HD11 ILE 8 1HD1 ILE 8 7.382 -8.446 15.972 64 HD12 ILE 8 2HD1 ILE 8 6.286 -9.627 15.255 65 HD13 ILE 8 3HD1 ILE 8 5.680 -8.460 16.436 66 H ASN 9 H ASN 9 2.013 -6.161 14.054 67 HA ASN 9 HA ASN 9 0.375 -7.697 12.277 68 HB2 ASN 9 2HB ASN 9 -0.197 -5.992 14.708 69 HB3 ASN 9 1HB ASN 9 -1.543 -6.422 13.659 70 HD21 ASN 9 1HD2 ASN 9 0.750 -7.627 15.964 71 HD22 ASN 9 2HD2 ASN 9 0.043 -9.175 16.142 72 H ARG 10 H ARG 10 1.019 -4.226 12.593 73 HA ARG 10 HA ARG 10 -1.016 -3.370 10.768 74 HB2 ARG 10 2HB ARG 10 1.506 -1.920 11.693 75 HB3 ARG 10 1HB ARG 10 0.254 -1.181 10.696 76 HG2 ARG 10 2HG ARG 10 -1.371 -1.370 12.474 77 HG3 ARG 10 1HG ARG 10 -0.261 -2.316 13.465 78 HD2 ARG 10 2HD ARG 10 1.282 -0.238 13.415 79 HD3 ARG 10 1HD ARG 10 -0.116 0.638 12.777 80 HE ARG 10 HE ARG 10 -0.550 -0.852 15.241 81 HH11 ARG 10 1HH1 ARG 10 0.181 2.312 13.904 82 HH12 ARG 10 2HH1 ARG 10 -0.286 3.166 15.333 83 HH21 ARG 10 1HH2 ARG 10 -1.137 0.277 17.107 84 HH22 ARG 10 2HH2 ARG 10 -1.028 2.007 17.148 85 H TRP 11 H TRP 11 2.522 -3.947 10.468 86 HA TRP 11 HA TRP 11 2.777 -3.511 7.708 87 HB2 TRP 11 2HB TRP 11 4.370 -5.171 9.678 88 HB3 TRP 11 1HB TRP 11 4.723 -5.327 7.962 89 HD1 TRP 11 HD1 TRP 11 5.990 -3.495 10.789 90 HE1 TRP 11 HE1 TRP 11 7.191 -1.348 10.062 91 HE3 TRP 11 HE3 TRP 11 4.263 -3.140 5.986 92 HZ2 TRP 11 HZ2 TRP 11 7.384 0.303 7.803 93 HZ3 TRP 11 HZ3 TRP 11 4.992 -1.239 4.617 94 HH2 TRP 11 HH2 TRP 11 6.518 0.447 5.510 95 H GLN 12 H GLN 12 1.796 -6.424 9.472 96 HA GLN 12 HA GLN 12 1.723 -8.219 7.289 97 HB2 GLN 12 2HB GLN 12 1.688 -8.910 9.707 98 HB3 GLN 12 1HB GLN 12 0.030 -8.326 9.829 99 HG2 GLN 12 2HG GLN 12 -0.638 -9.992 8.072 100 HG3 GLN 12 1HG GLN 12 1.018 -10.604 8.070 101 HE21 GLN 12 1HE2 GLN 12 0.418 -12.662 8.734 102 HE22 GLN 12 2HE2 GLN 12 -0.158 -13.001 10.328 103 H ARG 13 H ARG 13 -0.718 -6.068 8.742 104 HA ARG 13 HA ARG 13 -2.949 -6.857 7.218 105 HB2 ARG 13 2HB ARG 13 -3.145 -5.495 9.290 106 HB3 ARG 13 1HB ARG 13 -2.384 -4.130 8.473 107 HG2 ARG 13 2HG ARG 13 -4.290 -4.039 6.875 108 HG3 ARG 13 1HG ARG 13 -5.046 -5.395 7.711 109 HD2 ARG 13 2HD ARG 13 -4.480 -2.667 8.908 110 HD3 ARG 13 1HD ARG 13 -6.053 -3.245 8.356 111 HE ARG 13 HE ARG 13 -4.621 -4.017 10.770 112 HH11 ARG 13 1HH1 ARG 13 -7.449 -4.591 8.746 113 HH12 ARG 13 2HH1 ARG 13 -8.309 -5.422 10.001 114 HH21 ARG 13 1HH2 ARG 13 -5.768 -5.120 12.385 115 HH22 ARG 13 2HH2 ARG 13 -7.362 -5.718 12.049 116 H ILE 14 H ILE 14 -0.462 -4.362 6.669 117 HA ILE 14 HA ILE 14 -1.546 -3.235 4.296 118 HB ILE 14 HB ILE 14 1.388 -3.316 5.162 119 HG12 ILE 14 2HG1 ILE 14 -0.710 -1.173 5.696 120 HG13 ILE 14 1HG1 ILE 14 -0.123 -2.328 6.883 121 HG21 ILE 14 1HG2 ILE 14 1.715 -1.329 3.761 122 HG22 ILE 14 2HG2 ILE 14 0.013 -1.347 3.292 123 HG23 ILE 14 3HG2 ILE 14 1.083 -2.650 2.784 124 HD11 ILE 14 1HD1 ILE 14 1.504 -0.201 5.520 125 HD12 ILE 14 2HD1 ILE 14 2.121 -1.391 6.674 126 HD13 ILE 14 3HD1 ILE 14 0.924 -0.202 7.185 127 H ALA 15 H ALA 15 0.734 -5.901 4.876 128 HA ALA 15 HA ALA 15 1.522 -6.409 2.209 129 HB1 ALA 15 1HB ALA 15 2.764 -7.247 4.162 130 HB2 ALA 15 2HB ALA 15 2.325 -8.573 3.086 131 HB3 ALA 15 3HB ALA 15 1.416 -8.313 4.577 132 H LEU 16 H LEU 16 -1.020 -7.859 4.251 133 HA LEU 16 HA LEU 16 -2.039 -9.735 2.390 134 HB2 LEU 16 2HB LEU 16 -3.396 -8.420 4.781 135 HB3 LEU 16 1HB LEU 16 -4.054 -9.794 3.905 136 HG LEU 16 HG LEU 16 -1.449 -9.813 5.484 137 HD11 LEU 16 1HD1 LEU 16 -3.373 -9.610 6.968 138 HD12 LEU 16 2HD1 LEU 16 -2.634 -11.202 7.116 139 HD13 LEU 16 3HD1 LEU 16 -4.137 -11.011 6.208 140 HD21 LEU 16 1HD2 LEU 16 -1.495 -12.260 5.158 141 HD22 LEU 16 2HD2 LEU 16 -1.341 -11.393 3.634 142 HD23 LEU 16 3HD2 LEU 16 -2.897 -12.092 4.094 143 H LEU 17 H LEU 17 -3.049 -6.421 3.258 144 HA LEU 17 HA LEU 17 -5.301 -6.211 1.572 145 HB2 LEU 17 2HB LEU 17 -3.482 -4.125 2.812 146 HB3 LEU 17 1HB LEU 17 -4.791 -3.646 1.744 147 HG LEU 17 HG LEU 17 -5.187 -5.198 4.337 148 HD11 LEU 17 1HD1 LEU 17 -4.326 -2.937 4.779 149 HD12 LEU 17 2HD1 LEU 17 -5.996 -3.117 5.308 150 HD13 LEU 17 3HD1 LEU 17 -5.636 -2.245 3.815 151 HD21 LEU 17 1HD2 LEU 17 -7.223 -3.845 2.526 152 HD22 LEU 17 2HD2 LEU 17 -7.562 -4.670 4.051 153 HD23 LEU 17 3HD2 LEU 17 -6.968 -5.588 2.672 154 H SER 18 H SER 18 -1.886 -5.313 1.055 155 HA SER 18 HA SER 18 -2.192 -4.046 -1.446 156 HB2 SER 18 2HB SER 18 -0.170 -3.889 0.117 157 HB3 SER 18 1HB SER 18 0.326 -5.469 -0.483 158 HG SER 18 HG SER 18 0.752 -3.083 -1.562 159 H GLN 19 H GLN 19 -1.444 -7.389 -0.535 160 HA GLN 19 HA GLN 19 -0.982 -8.452 -3.114 161 HB2 GLN 19 2HB GLN 19 -0.294 -9.524 -0.974 162 HB3 GLN 19 1HB GLN 19 -1.982 -9.847 -0.600 163 HG2 GLN 19 2HG GLN 19 -2.133 -11.345 -2.555 164 HG3 GLN 19 1HG GLN 19 -0.448 -11.003 -2.949 165 HE21 GLN 19 1HE2 GLN 19 0.504 -11.061 -0.186 166 HE22 GLN 19 2HE2 GLN 19 0.452 -12.714 0.301 167 H SER 20 H SER 20 -3.886 -8.494 -1.035 168 HA SER 20 HA SER 20 -5.737 -9.708 -2.711 169 HB2 SER 20 2HB SER 20 -6.198 -7.452 -0.706 170 HB3 SER 20 1HB SER 20 -7.464 -8.482 -1.381 171 HG SER 20 HG SER 20 -5.762 -8.965 0.672 172 H LEU 21 H LEU 21 -4.920 -6.259 -2.410 173 HA LEU 21 HA LEU 21 -6.804 -5.255 -4.262 174 HB2 LEU 21 2HB LEU 21 -4.283 -4.020 -3.084 175 HB3 LEU 21 1HB LEU 21 -5.401 -3.130 -4.110 176 HG LEU 21 HG LEU 21 -6.160 -4.372 -1.431 177 HD11 LEU 21 1HD1 LEU 21 -5.581 -1.463 -2.033 178 HD12 LEU 21 2HD1 LEU 21 -4.548 -2.551 -1.104 179 HD13 LEU 21 3HD1 LEU 21 -6.147 -2.127 -0.498 180 HD21 LEU 21 1HD2 LEU 21 -8.196 -3.022 -1.612 181 HD22 LEU 21 2HD2 LEU 21 -8.068 -4.164 -2.939 182 HD23 LEU 21 3HD2 LEU 21 -7.701 -2.460 -3.212 183 H LEU 22 H LEU 22 -3.446 -6.368 -4.566 184 HA LEU 22 HA LEU 22 -2.962 -5.367 -7.175 185 HB2 LEU 22 2HB LEU 22 -1.087 -6.188 -5.811 186 HB3 LEU 22 1HB LEU 22 -1.764 -7.813 -5.815 187 HG LEU 22 HG LEU 22 -1.450 -7.947 -8.291 188 HD11 LEU 22 1HD1 LEU 22 -1.677 -5.619 -8.880 189 HD12 LEU 22 2HD1 LEU 22 -0.136 -6.230 -9.475 190 HD13 LEU 22 3HD1 LEU 22 -0.180 -5.212 -8.031 191 HD21 LEU 22 1HD2 LEU 22 0.321 -8.815 -6.840 192 HD22 LEU 22 2HD2 LEU 22 1.120 -7.241 -6.856 193 HD23 LEU 22 3HD2 LEU 22 0.969 -8.176 -8.347 194 H GLU 23 H GLU 23 -4.127 -8.518 -5.967 195 HA GLU 23 HA GLU 23 -4.532 -9.808 -8.429 196 HB2 GLU 23 2HB GLU 23 -6.101 -10.136 -5.833 197 HB3 GLU 23 1HB GLU 23 -6.159 -11.262 -7.194 198 HG2 GLU 23 2HG GLU 23 -3.776 -11.771 -6.904 199 HG3 GLU 23 1HG GLU 23 -3.672 -10.602 -5.583 200 H LEU 24 H LEU 24 -6.773 -7.858 -6.472 201 HA LEU 24 HA LEU 24 -9.053 -7.909 -8.055 202 HB2 LEU 24 2HB LEU 24 -7.987 -5.600 -6.394 203 HB3 LEU 24 1HB LEU 24 -9.630 -5.716 -7.008 204 HG LEU 24 HG LEU 24 -8.373 -7.596 -4.981 205 HD11 LEU 24 1HD1 LEU 24 -9.849 -6.556 -3.356 206 HD12 LEU 24 2HD1 LEU 24 -10.432 -5.427 -4.581 207 HD13 LEU 24 3HD1 LEU 24 -8.745 -5.384 -4.066 208 HD21 LEU 24 1HD2 LEU 24 -11.234 -7.522 -5.991 209 HD22 LEU 24 2HD2 LEU 24 -10.618 -8.535 -4.681 210 HD23 LEU 24 3HD2 LEU 24 -10.040 -8.780 -6.325 211 H ALA 25 H ALA 25 -6.252 -5.705 -8.247 212 HA ALA 25 HA ALA 25 -7.181 -4.033 -10.328 213 HB1 ALA 25 1HB ALA 25 -5.339 -3.422 -8.812 214 HB2 ALA 25 2HB ALA 25 -4.844 -3.299 -10.498 215 HB3 ALA 25 3HB ALA 25 -4.322 -4.679 -9.530 216 H GLN 26 H GLN 26 -5.357 -7.082 -10.349 217 HA GLN 26 HA GLN 26 -4.846 -7.209 -13.142 218 HB2 GLN 26 2HB GLN 26 -5.113 -9.510 -11.153 219 HB3 GLN 26 1HB GLN 26 -4.428 -9.638 -12.768 220 HG2 GLN 26 2HG GLN 26 -3.283 -8.029 -10.471 221 HG3 GLN 26 1HG GLN 26 -2.679 -9.578 -11.049 222 HE21 GLN 26 1HE2 GLN 26 -1.190 -7.121 -10.816 223 HE22 GLN 26 2HE2 GLN 26 -0.668 -6.686 -12.398 224 H ARG 27 H ARG 27 -7.674 -8.156 -11.193 225 HA ARG 27 HA ARG 27 -9.049 -9.400 -13.469 226 HB2 ARG 27 2HB ARG 27 -9.878 -8.959 -10.575 227 HB3 ARG 27 1HB ARG 27 -11.034 -9.504 -11.781 228 HG2 ARG 27 2HG ARG 27 -10.225 -11.426 -10.536 229 HG3 ARG 27 1HG ARG 27 -9.637 -11.526 -12.196 230 HD2 ARG 27 2HD ARG 27 -7.449 -10.667 -11.473 231 HD3 ARG 27 1HD ARG 27 -8.044 -10.538 -9.820 232 HE ARG 27 HE ARG 27 -8.341 -13.188 -10.538 233 HH11 ARG 27 1HH1 ARG 27 -5.683 -10.884 -10.209 234 HH12 ARG 27 2HH1 ARG 27 -4.522 -12.102 -9.790 235 HH21 ARG 27 1HH2 ARG 27 -6.792 -14.750 -9.941 236 HH22 ARG 27 2HH2 ARG 27 -5.151 -14.275 -9.643 237 H GLY 28 H GLY 28 -8.819 -6.248 -12.077 238 HA2 GLY 28 2HA GLY 28 -9.648 -4.262 -12.964 239 HA3 GLY 28 1HA GLY 28 -10.771 -5.159 -13.972 240 H GLU 29 H GLU 29 -10.459 -5.640 -10.522 241 HA GLU 29 HA GLU 29 -13.189 -4.865 -9.972 242 HB2 GLU 29 2HB GLU 29 -10.997 -5.773 -8.063 243 HB3 GLU 29 1HB GLU 29 -12.715 -5.686 -7.698 244 HG2 GLU 29 2HG GLU 29 -11.507 -7.519 -9.789 245 HG3 GLU 29 1HG GLU 29 -11.815 -7.994 -8.120 246 H TRP 30 H TRP 30 -12.490 -2.638 -10.808 247 HA TRP 30 HA TRP 30 -10.737 -0.929 -9.395 248 HB2 TRP 30 2HB TRP 30 -13.114 0.031 -11.048 249 HB3 TRP 30 1HB TRP 30 -11.587 0.862 -10.768 250 HD1 TRP 30 HD1 TRP 30 -13.277 -0.898 -13.427 251 HE1 TRP 30 HE1 TRP 30 -11.650 -1.839 -15.172 252 HE3 TRP 30 HE3 TRP 30 -8.899 -0.508 -10.787 253 HZ2 TRP 30 HZ2 TRP 30 -8.898 -2.373 -15.410 254 HZ3 TRP 30 HZ3 TRP 30 -6.811 -1.262 -11.849 255 HH2 TRP 30 HH2 TRP 30 -6.815 -2.180 -14.120 256 H ASP 31 H ASP 31 -14.123 -1.685 -9.048 257 HA ASP 31 HA ASP 31 -14.978 0.349 -7.307 258 HB2 ASP 31 2HB ASP 31 -16.484 -1.206 -8.576 259 HB3 ASP 31 1HB ASP 31 -15.965 -2.537 -7.542 260 H LEU 32 H LEU 32 -13.871 -2.997 -6.595 261 HA LEU 32 HA LEU 32 -13.929 -2.779 -3.769 262 HB2 LEU 32 2HB LEU 32 -12.279 -4.671 -5.494 263 HB3 LEU 32 1HB LEU 32 -12.544 -4.847 -3.765 264 HG LEU 32 HG LEU 32 -14.643 -5.108 -5.957 265 HD11 LEU 32 1HD1 LEU 32 -14.798 -7.445 -5.219 266 HD12 LEU 32 2HD1 LEU 32 -13.498 -7.176 -4.053 267 HD13 LEU 32 3HD1 LEU 32 -13.177 -7.050 -5.786 268 HD21 LEU 32 1HD2 LEU 32 -16.245 -5.692 -4.183 269 HD22 LEU 32 2HD2 LEU 32 -15.667 -4.038 -4.009 270 HD23 LEU 32 3HD2 LEU 32 -15.040 -5.304 -2.949 271 H LEU 33 H LEU 33 -11.502 -1.930 -6.174 272 HA LEU 33 HA LEU 33 -9.310 -1.484 -4.424 273 HB2 LEU 33 2HB LEU 33 -9.966 -0.253 -7.127 274 HB3 LEU 33 1HB LEU 33 -8.457 0.039 -6.273 275 HG LEU 33 HG LEU 33 -9.414 -2.645 -7.337 276 HD11 LEU 33 1HD1 LEU 33 -8.662 -1.127 -9.101 277 HD12 LEU 33 2HD1 LEU 33 -7.554 -2.479 -8.897 278 HD13 LEU 33 3HD1 LEU 33 -7.127 -0.889 -8.258 279 HD21 LEU 33 1HD2 LEU 33 -7.223 -3.514 -6.651 280 HD22 LEU 33 2HD2 LEU 33 -8.168 -2.968 -5.270 281 HD23 LEU 33 3HD2 LEU 33 -6.844 -1.969 -5.878 282 H LEU 34 H LEU 34 -11.841 0.707 -5.710 283 HA LEU 34 HA LEU 34 -10.896 3.085 -4.481 284 HB2 LEU 34 2HB LEU 34 -13.659 2.347 -5.526 285 HB3 LEU 34 1HB LEU 34 -13.221 3.968 -5.007 286 HG LEU 34 HG LEU 34 -11.905 2.485 -7.323 287 HD11 LEU 34 1HD1 LEU 34 -14.223 3.021 -7.868 288 HD12 LEU 34 2HD1 LEU 34 -13.107 4.007 -8.811 289 HD13 LEU 34 3HD1 LEU 34 -13.957 4.713 -7.432 290 HD21 LEU 34 1HD2 LEU 34 -10.883 4.640 -7.876 291 HD22 LEU 34 2HD2 LEU 34 -10.389 4.090 -6.280 292 HD23 LEU 34 3HD2 LEU 34 -11.598 5.366 -6.433 293 H GLN 35 H GLN 35 -13.045 0.543 -3.348 294 HA GLN 35 HA GLN 35 -14.088 1.942 -1.052 295 HB2 GLN 35 2HB GLN 35 -15.373 0.134 -2.066 296 HB3 GLN 35 1HB GLN 35 -14.040 -0.993 -1.866 297 HG2 GLN 35 2HG GLN 35 -15.834 -1.434 -0.255 298 HG3 GLN 35 1HG GLN 35 -14.342 -0.981 0.557 299 HE21 GLN 35 1HE2 GLN 35 -14.275 0.939 1.736 300 HE22 GLN 35 2HE2 GLN 35 -15.695 1.842 2.121 301 H GLN 36 H GLN 36 -11.769 -0.743 -1.432 302 HA GLN 36 HA GLN 36 -10.887 -0.701 1.301 303 HB2 GLN 36 2HB GLN 36 -9.992 -2.233 -1.152 304 HB3 GLN 36 1HB GLN 36 -9.200 -2.426 0.411 305 HG2 GLN 36 2HG GLN 36 -11.170 -3.311 1.418 306 HG3 GLN 36 1HG GLN 36 -12.179 -2.832 0.055 307 HE21 GLN 36 1HE2 GLN 36 -10.533 -3.761 -2.040 308 HE22 GLN 36 2HE2 GLN 36 -10.527 -5.487 -1.976 309 H GLU 37 H GLU 37 -9.983 1.096 -1.431 310 HA GLU 37 HA GLU 37 -7.367 1.850 -1.110 311 HB2 GLU 37 2HB GLU 37 -8.556 2.776 -2.931 312 HB3 GLU 37 1HB GLU 37 -9.876 3.339 -1.935 313 HG2 GLU 37 2HG GLU 37 -7.213 4.654 -1.559 314 HG3 GLU 37 1HG GLU 37 -8.074 4.988 -3.059 315 H VAL 38 H VAL 38 -10.168 3.027 0.710 316 HA VAL 38 HA VAL 38 -8.873 4.855 2.406 317 HB VAL 38 HB VAL 38 -11.419 3.248 2.936 318 HG11 VAL 38 1HG1 VAL 38 -12.056 5.105 4.457 319 HG12 VAL 38 2HG1 VAL 38 -10.481 5.857 4.190 320 HG13 VAL 38 3HG1 VAL 38 -10.585 4.293 5.001 321 HG21 VAL 38 1HG2 VAL 38 -11.089 5.973 1.617 322 HG22 VAL 38 2HG2 VAL 38 -12.633 5.211 2.010 323 HG23 VAL 38 3HG2 VAL 38 -11.568 4.478 0.809 324 H SER 39 H SER 39 -9.652 1.390 2.840 325 HA SER 39 HA SER 39 -8.746 1.045 5.482 326 HB2 SER 39 2HB SER 39 -8.845 -1.032 3.247 327 HB3 SER 39 1HB SER 39 -8.775 -1.375 4.981 328 HG SER 39 HG SER 39 -10.909 -1.434 4.058 329 H TYR 40 H TYR 40 -7.066 0.635 2.384 330 HA TYR 40 HA TYR 40 -4.679 -0.524 3.383 331 HB2 TYR 40 2HB TYR 40 -5.471 -0.799 1.044 332 HB3 TYR 40 1HB TYR 40 -5.187 0.910 0.740 333 HD1 TYR 40 HD1 TYR 40 -3.211 1.367 -0.481 334 HD2 TYR 40 HD2 TYR 40 -3.244 -2.015 2.118 335 HE1 TYR 40 HE1 TYR 40 -0.941 0.790 -1.197 336 HE2 TYR 40 HE2 TYR 40 -0.971 -2.579 1.402 337 HH TYR 40 HH TYR 40 0.990 -0.447 -0.404 338 H LEU 41 H LEU 41 -5.470 2.792 2.288 339 HA LEU 41 HA LEU 41 -2.888 3.877 2.832 340 HB2 LEU 41 2HB LEU 41 -5.545 5.326 2.478 341 HB3 LEU 41 1HB LEU 41 -3.960 6.087 2.446 342 HG LEU 41 HG LEU 41 -5.009 4.068 0.417 343 HD11 LEU 41 1HD1 LEU 41 -4.472 7.030 0.088 344 HD12 LEU 41 2HD1 LEU 41 -6.057 6.254 0.165 345 HD13 LEU 41 3HD1 LEU 41 -4.978 5.912 -1.185 346 HD21 LEU 41 1HD2 LEU 41 -2.322 5.479 0.467 347 HD22 LEU 41 2HD2 LEU 41 -2.948 4.505 -0.866 348 HD23 LEU 41 3HD2 LEU 41 -2.611 3.750 0.688 349 H GLN 42 H GLN 42 -5.791 3.438 4.782 350 HA GLN 42 HA GLN 42 -5.035 4.964 7.058 351 HB2 GLN 42 2HB GLN 42 -7.332 4.080 6.750 352 HB3 GLN 42 1HB GLN 42 -6.730 2.435 6.921 353 HG2 GLN 42 2HG GLN 42 -5.944 3.115 9.267 354 HG3 GLN 42 1HG GLN 42 -6.883 4.589 9.048 355 HE21 GLN 42 1HE2 GLN 42 -9.085 3.268 7.622 356 HE22 GLN 42 2HE2 GLN 42 -9.921 2.330 8.804 357 H SER 43 H SER 43 -4.482 1.554 6.160 358 HA SER 43 HA SER 43 -3.143 0.737 8.515 359 HB2 SER 43 2HB SER 43 -2.929 -0.388 5.689 360 HB3 SER 43 1HB SER 43 -2.427 -1.216 7.168 361 HG SER 43 HG SER 43 -5.051 -0.240 6.920 362 H ILE 44 H ILE 44 -2.008 2.102 5.476 363 HA ILE 44 HA ILE 44 0.772 1.997 5.829 364 HB ILE 44 HB ILE 44 -1.068 3.768 4.183 365 HG12 ILE 44 2HG1 ILE 44 0.963 1.627 3.390 366 HG13 ILE 44 1HG1 ILE 44 -0.784 1.422 3.451 367 HG21 ILE 44 1HG2 ILE 44 0.787 5.254 4.687 368 HG22 ILE 44 2HG2 ILE 44 0.881 4.748 3.001 369 HG23 ILE 44 3HG2 ILE 44 1.950 4.022 4.198 370 HD11 ILE 44 1HD1 ILE 44 0.735 3.212 1.548 371 HD12 ILE 44 2HD1 ILE 44 -1.024 3.057 1.628 372 HD13 ILE 44 3HD1 ILE 44 -0.036 1.670 1.177 373 H GLU 45 H GLU 45 -1.505 4.712 6.514 374 HA GLU 45 HA GLU 45 0.486 6.477 7.486 375 HB2 GLU 45 2HB GLU 45 -1.309 7.925 8.236 376 HB3 GLU 45 1HB GLU 45 -1.747 7.246 6.671 377 HG2 GLU 45 2HG GLU 45 -3.180 5.571 7.861 378 HG3 GLU 45 1HG GLU 45 -2.815 6.387 9.378 379 H THR 46 H THR 46 -1.523 4.024 9.124 380 HA THR 46 HA THR 46 -0.793 4.932 11.762 381 HB THR 46 HB THR 46 -3.009 3.791 11.250 382 HG1 THR 46 HG1 THR 46 -1.992 4.050 13.408 383 HG21 THR 46 1HG2 THR 46 -1.356 1.241 11.391 384 HG22 THR 46 2HG2 THR 46 -2.163 1.854 9.949 385 HG23 THR 46 3HG2 THR 46 -3.120 1.336 11.337 386 H VAL 47 H VAL 47 0.556 2.520 9.484 387 HA VAL 47 HA VAL 47 2.241 1.333 11.520 388 HB VAL 47 HB VAL 47 1.605 0.288 9.181 389 HG11 VAL 47 1HG1 VAL 47 2.567 2.045 7.733 390 HG12 VAL 47 2HG1 VAL 47 3.334 0.486 7.431 391 HG13 VAL 47 3HG1 VAL 47 4.175 1.710 8.381 392 HG21 VAL 47 1HG2 VAL 47 3.558 -1.208 9.293 393 HG22 VAL 47 2HG2 VAL 47 2.939 -0.850 10.909 394 HG23 VAL 47 3HG2 VAL 47 4.397 -0.045 10.324 395 H MET 48 H MET 48 2.576 4.020 9.234 396 HA MET 48 HA MET 48 5.377 4.487 9.827 397 HB2 MET 48 2HB MET 48 4.259 5.022 7.620 398 HB3 MET 48 1HB MET 48 3.411 6.339 8.417 399 HG2 MET 48 2HG MET 48 5.426 7.561 8.747 400 HG3 MET 48 1HG MET 48 6.429 6.155 8.393 401 HE1 MET 48 1HE MET 48 6.818 5.156 5.959 402 HE2 MET 48 2HE MET 48 6.014 5.774 4.516 403 HE3 MET 48 3HE MET 48 5.078 4.933 5.750 404 H GLU 49 H GLU 49 2.309 5.471 11.084 405 HA GLU 49 HA GLU 49 3.028 7.518 12.903 406 HB2 GLU 49 2HB GLU 49 0.699 6.998 12.375 407 HB3 GLU 49 1HB GLU 49 0.894 5.352 12.951 408 HG2 GLU 49 2HG GLU 49 1.329 6.414 15.278 409 HG3 GLU 49 1HG GLU 49 0.670 7.893 14.569 410 H LYS 50 H LYS 50 3.331 4.013 12.975 411 HA LYS 50 HA LYS 50 3.862 3.747 15.788 412 HB2 LYS 50 2HB LYS 50 2.803 1.922 14.483 413 HB3 LYS 50 1HB LYS 50 4.242 1.785 13.487 414 HG2 LYS 50 2HG LYS 50 4.536 -0.003 14.931 415 HG3 LYS 50 1HG LYS 50 5.461 1.240 15.765 416 HD2 LYS 50 2HD LYS 50 2.592 0.467 16.451 417 HD3 LYS 50 1HD LYS 50 4.014 -0.178 17.262 418 HE2 LYS 50 2HE LYS 50 4.591 2.165 17.976 419 HE3 LYS 50 1HE LYS 50 3.067 2.707 17.275 420 HZ1 LYS 50 1HZ LYS 50 3.422 0.831 19.542 421 HZ2 LYS 50 2HZ LYS 50 1.937 1.132 18.795 422 HZ3 LYS 50 3HZ LYS 50 2.754 2.383 19.582 423 H GLN 51 H GLN 51 5.669 4.673 16.542 424 HA GLN 51 HA GLN 51 8.195 4.819 15.212 425 HB2 GLN 51 2HB GLN 51 7.260 5.408 18.037 426 HB3 GLN 51 1HB GLN 51 8.983 5.357 17.693 427 HG2 GLN 51 2HG GLN 51 8.088 7.656 17.657 428 HG3 GLN 51 1HG GLN 51 8.784 7.185 16.109 429 HE21 GLN 51 1HE2 GLN 51 5.799 7.885 17.816 430 HE22 GLN 51 2HE2 GLN 51 4.821 8.083 16.406 431 H THR 52 H THR 52 9.487 3.167 14.890 432 HA THR 52 HA THR 52 9.276 0.601 16.054 433 HB THR 52 HB THR 52 11.732 1.700 14.607 434 HG1 THR 52 HG1 THR 52 9.172 1.339 13.678 435 HG21 THR 52 1HG2 THR 52 10.520 -1.101 14.671 436 HG22 THR 52 2HG2 THR 52 11.963 -0.594 15.560 437 HG23 THR 52 3HG2 THR 52 11.976 -0.620 13.794 438 HA PRO 53 HA PRO 53 11.772 1.524 19.807 439 HB2 PRO 53 2HB PRO 53 12.133 -1.104 20.653 440 HB3 PRO 53 1HB PRO 53 10.651 -0.174 20.957 441 HG2 PRO 53 2HG PRO 53 11.181 -2.196 18.797 442 HG3 PRO 53 1HG PRO 53 9.739 -1.995 19.820 443 HD2 PRO 53 2HD PRO 53 9.792 -1.068 17.283 444 HD3 PRO 53 1HD PRO 53 8.926 -0.190 18.565 445 HA PRO 54 HA PRO 54 15.955 1.057 18.203 446 HB2 PRO 54 2HB PRO 54 17.391 0.804 20.612 447 HB3 PRO 54 1HB PRO 54 16.870 2.340 19.891 448 HG2 PRO 54 2HG PRO 54 15.579 0.754 22.080 449 HG3 PRO 54 1HG PRO 54 15.780 2.516 21.931 450 HD2 PRO 54 2HD PRO 54 13.408 1.345 21.400 451 HD3 PRO 54 1HD PRO 54 13.973 2.735 20.446 452 H GLY 55 H GLY 55 15.185 -1.190 20.892 453 HA2 GLY 55 2HA GLY 55 16.941 -3.288 20.055 454 HA3 GLY 55 1HA GLY 55 15.639 -3.408 21.226 455 H ILE 56 H ILE 56 16.444 -3.576 17.834 456 HA ILE 56 HA ILE 56 13.892 -4.917 17.159 457 HB ILE 56 HB ILE 56 14.178 -2.986 15.769 458 HG12 ILE 56 2HG1 ILE 56 14.470 -3.915 13.439 459 HG13 ILE 56 1HG1 ILE 56 15.041 -5.423 14.146 460 HG21 ILE 56 1HG2 ILE 56 16.167 -2.447 14.432 461 HG22 ILE 56 2HG2 ILE 56 17.008 -3.842 15.114 462 HG23 ILE 56 3HG2 ILE 56 16.540 -2.498 16.159 463 HD11 ILE 56 1HD1 ILE 56 12.306 -4.223 14.543 464 HD12 ILE 56 2HD1 ILE 56 12.875 -5.772 15.186 465 HD13 ILE 56 3HD1 ILE 56 12.720 -5.536 13.444 466 H THR 57 H THR 57 14.163 -7.060 17.485 467 HA THR 57 HA THR 57 16.727 -8.387 17.025 468 HB THR 57 HB THR 57 15.385 -8.915 19.073 469 HG1 THR 57 HG1 THR 57 15.882 -11.073 18.987 470 HG21 THR 57 1HG2 THR 57 13.119 -8.858 18.052 471 HG22 THR 57 2HG2 THR 57 13.417 -10.355 18.939 472 HG23 THR 57 3HG2 THR 57 13.492 -10.345 17.174 473 H ARG 58 H ARG 58 16.561 -10.651 15.957 474 HA ARG 58 HA ARG 58 16.261 -9.987 13.203 475 HB2 ARG 58 2HB ARG 58 16.931 -12.717 14.373 476 HB3 ARG 58 1HB ARG 58 17.292 -12.147 12.747 477 HG2 ARG 58 2HG ARG 58 18.526 -11.101 15.319 478 HG3 ARG 58 1HG ARG 58 19.302 -12.168 14.148 479 HD2 ARG 58 2HD ARG 58 19.245 -10.396 12.457 480 HD3 ARG 58 1HD ARG 58 18.380 -9.328 13.566 481 HE ARG 58 HE ARG 58 21.200 -10.171 13.774 482 HH11 ARG 58 1HH1 ARG 58 18.618 -8.059 14.930 483 HH12 ARG 58 2HH1 ARG 58 19.696 -7.038 15.823 484 HH21 ARG 58 1HH2 ARG 58 22.593 -8.789 14.926 485 HH22 ARG 58 2HH2 ARG 58 21.944 -7.452 15.820 486 H SER 59 H SER 59 14.250 -11.748 15.453 487 HA SER 59 HA SER 59 12.646 -13.222 13.630 488 HB2 SER 59 2HB SER 59 11.885 -12.131 16.382 489 HB3 SER 59 1HB SER 59 11.081 -13.448 15.522 490 HG SER 59 HG SER 59 12.892 -14.694 15.756 491 H ILE 60 H ILE 60 12.112 -10.113 15.300 492 HA ILE 60 HA ILE 60 9.694 -9.356 14.071 493 HB ILE 60 HB ILE 60 11.831 -7.393 15.029 494 HG12 ILE 60 2HG1 ILE 60 9.669 -8.599 16.810 495 HG13 ILE 60 1HG1 ILE 60 11.335 -9.171 16.780 496 HG21 ILE 60 1HG2 ILE 60 8.797 -7.129 14.907 497 HG22 ILE 60 2HG2 ILE 60 9.950 -6.351 13.821 498 HG23 ILE 60 3HG2 ILE 60 9.910 -5.902 15.525 499 HD11 ILE 60 1HD1 ILE 60 10.474 -6.365 17.508 500 HD12 ILE 60 2HD1 ILE 60 12.127 -6.993 17.534 501 HD13 ILE 60 3HD1 ILE 60 10.917 -7.643 18.640 502 H GLN 61 H GLN 61 13.094 -8.696 13.304 503 HA GLN 61 HA GLN 61 12.753 -6.871 11.197 504 HB2 GLN 61 2HB GLN 61 14.869 -7.171 12.460 505 HB3 GLN 61 1HB GLN 61 15.077 -8.764 11.743 506 HG2 GLN 61 2HG GLN 61 16.516 -7.069 10.672 507 HG3 GLN 61 1HG GLN 61 15.375 -7.771 9.525 508 HE21 GLN 61 1HE2 GLN 61 16.140 -4.912 11.404 509 HE22 GLN 61 2HE2 GLN 61 15.179 -3.818 10.477 510 H ASP 62 H ASP 62 13.072 -10.428 11.205 511 HA ASP 62 HA ASP 62 13.175 -10.811 8.400 512 HB2 ASP 62 2HB ASP 62 13.825 -12.585 10.017 513 HB3 ASP 62 1HB ASP 62 12.150 -12.724 10.549 514 H MET 63 H MET 63 10.453 -11.042 10.725 515 HA MET 63 HA MET 63 8.429 -11.652 8.863 516 HB2 MET 63 2HB MET 63 8.246 -10.347 11.605 517 HB3 MET 63 1HB MET 63 6.833 -10.837 10.674 518 HG2 MET 63 2HG MET 63 7.597 -13.170 10.726 519 HG3 MET 63 1HG MET 63 9.021 -12.690 11.652 520 HE1 MET 63 1HE MET 63 7.414 -11.529 15.044 521 HE2 MET 63 2HE MET 63 7.837 -10.507 13.671 522 HE3 MET 63 3HE MET 63 8.923 -11.806 14.178 523 H VAL 64 H VAL 64 9.350 -8.525 10.260 524 HA VAL 64 HA VAL 64 7.403 -6.941 8.986 525 HB VAL 64 HB VAL 64 10.038 -6.260 10.350 526 HG11 VAL 64 1HG1 VAL 64 8.074 -4.264 9.173 527 HG12 VAL 64 2HG1 VAL 64 9.741 -4.513 8.660 528 HG13 VAL 64 3HG1 VAL 64 9.404 -3.852 10.260 529 HG21 VAL 64 1HG2 VAL 64 8.545 -5.327 12.101 530 HG22 VAL 64 2HG2 VAL 64 8.192 -7.028 11.794 531 HG23 VAL 64 3HG2 VAL 64 7.136 -5.778 11.135 532 H ALA 65 H ALA 65 10.868 -7.505 8.140 533 HA ALA 65 HA ALA 65 10.893 -5.928 5.789 534 HB1 ALA 65 1HB ALA 65 12.635 -8.330 6.425 535 HB2 ALA 65 2HB ALA 65 12.970 -6.658 6.887 536 HB3 ALA 65 3HB ALA 65 12.952 -7.119 5.182 537 H GLY 66 H GLY 66 9.862 -9.223 6.416 538 HA2 GLY 66 2HA GLY 66 9.510 -10.165 3.771 539 HA3 GLY 66 1HA GLY 66 8.643 -10.721 5.196 540 H TYR 67 H TYR 67 7.291 -8.508 6.024 541 HA TYR 67 HA TYR 67 5.061 -8.342 4.245 542 HB2 TYR 67 2HB TYR 67 5.633 -6.589 6.675 543 HB3 TYR 67 1HB TYR 67 4.067 -6.839 5.909 544 HD1 TYR 67 HD1 TYR 67 5.199 -7.333 8.878 545 HD2 TYR 67 HD2 TYR 67 4.160 -9.887 5.601 546 HE1 TYR 67 HE1 TYR 67 4.724 -9.151 10.450 547 HE2 TYR 67 HE2 TYR 67 3.690 -11.710 7.183 548 HH TYR 67 HH TYR 67 4.337 -12.370 9.487 549 H ILE 68 H ILE 68 7.843 -6.354 4.875 550 HA ILE 68 HA ILE 68 7.064 -3.896 3.710 551 HB ILE 68 HB ILE 68 9.707 -5.161 4.473 552 HG12 ILE 68 2HG1 ILE 68 8.313 -2.598 5.349 553 HG13 ILE 68 1HG1 ILE 68 8.360 -4.110 6.244 554 HG21 ILE 68 1HG2 ILE 68 11.001 -3.172 3.758 555 HG22 ILE 68 2HG2 ILE 68 9.569 -2.561 2.929 556 HG23 ILE 68 3HG2 ILE 68 10.325 -4.060 2.392 557 HD11 ILE 68 1HD1 ILE 68 10.700 -2.295 5.667 558 HD12 ILE 68 2HD1 ILE 68 10.794 -3.843 6.515 559 HD13 ILE 68 3HD1 ILE 68 9.869 -2.510 7.207 560 H LYS 69 H LYS 69 9.102 -6.569 2.441 561 HA LYS 69 HA LYS 69 9.279 -5.466 -0.187 562 HB2 LYS 69 2HB LYS 69 9.898 -8.265 0.842 563 HB3 LYS 69 1HB LYS 69 10.269 -7.715 -0.792 564 HG2 LYS 69 2HG LYS 69 11.399 -6.552 1.778 565 HG3 LYS 69 1HG LYS 69 12.251 -7.617 0.655 566 HD2 LYS 69 2HD LYS 69 12.085 -5.883 -1.120 567 HD3 LYS 69 1HD LYS 69 11.214 -4.822 -0.008 568 HE2 LYS 69 2HE LYS 69 13.197 -4.743 1.463 569 HE3 LYS 69 1HE LYS 69 14.069 -5.798 0.347 570 HZ1 LYS 69 1HZ LYS 69 13.894 -4.108 -1.351 571 HZ2 LYS 69 2HZ LYS 69 14.617 -3.456 0.028 572 HZ3 LYS 69 3HZ LYS 69 13.000 -3.108 -0.322 573 H GLN 70 H GLN 70 7.094 -7.750 1.383 574 HA GLN 70 HA GLN 70 5.714 -8.750 -0.851 575 HB2 GLN 70 2HB GLN 70 5.427 -9.608 1.480 576 HB3 GLN 70 1HB GLN 70 4.622 -8.113 1.926 577 HG2 GLN 70 2HG GLN 70 2.920 -9.769 1.622 578 HG3 GLN 70 1HG GLN 70 2.809 -8.665 0.255 579 HE21 GLN 70 1HE2 GLN 70 3.756 -11.867 1.285 580 HE22 GLN 70 2HE2 GLN 70 3.783 -12.582 -0.287 581 H THR 71 H THR 71 4.891 -5.947 1.258 582 HA THR 71 HA THR 71 2.643 -5.212 -0.285 583 HB THR 71 HB THR 71 2.808 -4.627 2.121 584 HG1 THR 71 HG1 THR 71 2.499 -2.343 0.436 585 HG21 THR 71 1HG2 THR 71 4.013 -2.612 2.859 586 HG22 THR 71 2HG2 THR 71 4.745 -2.434 1.263 587 HG23 THR 71 3HG2 THR 71 5.155 -3.823 2.273 588 H LEU 72 H LEU 72 5.985 -3.902 -0.169 589 HA LEU 72 HA LEU 72 5.585 -1.760 -1.957 590 HB2 LEU 72 2HB LEU 72 8.113 -3.290 -1.238 591 HB3 LEU 72 1HB LEU 72 8.123 -1.877 -2.285 592 HG LEU 72 HG LEU 72 7.197 -1.871 0.622 593 HD11 LEU 72 1HD1 LEU 72 9.605 -2.230 0.491 594 HD12 LEU 72 2HD1 LEU 72 9.249 -0.617 1.103 595 HD13 LEU 72 3HD1 LEU 72 9.781 -0.825 -0.568 596 HD21 LEU 72 1HD2 LEU 72 7.562 0.427 -1.328 597 HD22 LEU 72 2HD2 LEU 72 7.220 0.593 0.395 598 HD23 LEU 72 3HD2 LEU 72 6.030 -0.163 -0.668 599 H ASP 73 H ASP 73 6.396 -5.188 -2.561 600 HA ASP 73 HA ASP 73 6.853 -4.947 -5.356 601 HB2 ASP 73 2HB ASP 73 7.527 -6.973 -4.111 602 HB3 ASP 73 1HB ASP 73 5.840 -7.349 -3.766 603 H ASN 74 H ASN 74 3.910 -5.979 -3.562 604 HA ASN 74 HA ASN 74 2.224 -6.246 -5.811 605 HB2 ASN 74 2HB ASN 74 1.526 -5.730 -2.894 606 HB3 ASN 74 1HB ASN 74 0.318 -6.063 -4.128 607 HD21 ASN 74 1HD2 ASN 74 2.471 -7.428 -1.905 608 HD22 ASN 74 2HD2 ASN 74 2.256 -9.079 -2.353 609 H GLU 75 H GLU 75 3.051 -3.492 -3.825 610 HA GLU 75 HA GLU 75 0.967 -1.732 -4.741 611 HB2 GLU 75 2HB GLU 75 1.863 -1.514 -2.481 612 HB3 GLU 75 1HB GLU 75 3.484 -1.236 -3.112 613 HG2 GLU 75 2HG GLU 75 2.642 0.874 -4.182 614 HG3 GLU 75 1HG GLU 75 1.088 0.595 -3.395 615 H GLN 76 H GLN 76 4.380 -2.299 -5.545 616 HA GLN 76 HA GLN 76 4.733 -0.101 -7.317 617 HB2 GLN 76 2HB GLN 76 6.620 -1.394 -6.358 618 HB3 GLN 76 1HB GLN 76 6.118 -2.820 -7.256 619 HG2 GLN 76 2HG GLN 76 6.663 -1.701 -9.376 620 HG3 GLN 76 1HG GLN 76 7.090 -0.229 -8.500 621 HE21 GLN 76 1HE2 GLN 76 8.060 -3.518 -9.202 622 HE22 GLN 76 2HE2 GLN 76 9.691 -3.363 -8.651 623 H LEU 77 H LEU 77 3.714 -3.482 -7.793 624 HA LEU 77 HA LEU 77 3.189 -3.324 -10.583 625 HB2 LEU 77 2HB LEU 77 2.329 -5.200 -8.374 626 HB3 LEU 77 1HB LEU 77 1.628 -5.362 -9.975 627 HG LEU 77 HG LEU 77 4.627 -5.491 -9.469 628 HD11 LEU 77 1HD1 LEU 77 3.566 -7.327 -8.263 629 HD12 LEU 77 2HD1 LEU 77 4.448 -7.928 -9.664 630 HD13 LEU 77 3HD1 LEU 77 2.686 -7.804 -9.719 631 HD21 LEU 77 1HD2 LEU 77 4.037 -4.892 -11.761 632 HD22 LEU 77 2HD2 LEU 77 2.940 -6.275 -11.872 633 HD23 LEU 77 3HD2 LEU 77 4.684 -6.530 -11.710 634 H LEU 78 H LEU 78 1.141 -2.764 -7.705 635 HA LEU 78 HA LEU 78 -1.304 -2.138 -8.940 636 HB2 LEU 78 2HB LEU 78 -0.040 -1.343 -6.314 637 HB3 LEU 78 1HB LEU 78 -1.483 -0.483 -6.812 638 HG LEU 78 HG LEU 78 -1.373 -3.508 -6.470 639 HD11 LEU 78 1HD1 LEU 78 -0.970 -2.393 -4.305 640 HD12 LEU 78 2HD1 LEU 78 -2.534 -3.202 -4.345 641 HD13 LEU 78 3HD1 LEU 78 -2.447 -1.445 -4.517 642 HD21 LEU 78 1HD2 LEU 78 -3.707 -1.590 -6.815 643 HD22 LEU 78 2HD2 LEU 78 -3.832 -3.323 -6.507 644 HD23 LEU 78 3HD2 LEU 78 -3.117 -2.752 -8.009 645 H LYS 79 H LYS 79 1.543 -0.144 -8.276 646 HA LYS 79 HA LYS 79 0.358 2.357 -8.855 647 HB2 LYS 79 2HB LYS 79 2.424 2.042 -7.449 648 HB3 LYS 79 1HB LYS 79 3.321 1.668 -8.918 649 HG2 LYS 79 2HG LYS 79 2.767 3.951 -9.798 650 HG3 LYS 79 1HG LYS 79 1.949 4.310 -8.276 651 HD2 LYS 79 2HD LYS 79 4.906 3.685 -8.621 652 HD3 LYS 79 1HD LYS 79 4.213 5.279 -8.321 653 HE2 LYS 79 2HE LYS 79 3.453 4.556 -6.100 654 HE3 LYS 79 1HE LYS 79 4.049 2.921 -6.407 655 HZ1 LYS 79 1HZ LYS 79 6.289 3.814 -6.580 656 HZ2 LYS 79 2HZ LYS 79 5.604 4.158 -5.077 657 HZ3 LYS 79 3HZ LYS 79 5.719 5.375 -6.250 658 H GLY 80 H GLY 80 2.377 0.106 -10.750 659 HA2 GLY 80 2HA GLY 80 2.593 1.703 -13.098 660 HA3 GLY 80 1HA GLY 80 2.894 -0.022 -12.982 661 H LEU 81 H LEU 81 0.421 -0.969 -12.201 662 HA LEU 81 HA LEU 81 -0.941 -1.182 -14.674 663 HB2 LEU 81 2HB LEU 81 -0.813 -2.960 -12.947 664 HB3 LEU 81 1HB LEU 81 -1.818 -2.011 -11.875 665 HG LEU 81 HG LEU 81 -2.924 -2.886 -14.573 666 HD11 LEU 81 1HD1 LEU 81 -3.814 -4.941 -13.563 667 HD12 LEU 81 2HD1 LEU 81 -2.904 -4.622 -12.084 668 HD13 LEU 81 3HD1 LEU 81 -2.051 -4.949 -13.596 669 HD21 LEU 81 1HD2 LEU 81 -4.225 -2.320 -11.886 670 HD22 LEU 81 2HD2 LEU 81 -5.087 -2.876 -13.324 671 HD23 LEU 81 3HD2 LEU 81 -4.293 -1.304 -13.327 672 H LEU 82 H LEU 82 -1.763 0.492 -11.651 673 HA LEU 82 HA LEU 82 -4.243 1.571 -12.595 674 HB2 LEU 82 2HB LEU 82 -2.580 1.986 -10.104 675 HB3 LEU 82 1HB LEU 82 -4.014 2.958 -10.396 676 HG LEU 82 HG LEU 82 -4.180 -0.083 -10.406 677 HD11 LEU 82 1HD1 LEU 82 -4.513 1.686 -7.974 678 HD12 LEU 82 2HD1 LEU 82 -3.196 0.539 -8.248 679 HD13 LEU 82 3HD1 LEU 82 -4.850 -0.048 -8.064 680 HD21 LEU 82 1HD2 LEU 82 -6.072 1.112 -11.366 681 HD22 LEU 82 2HD2 LEU 82 -6.213 2.113 -9.914 682 HD23 LEU 82 3HD2 LEU 82 -6.535 0.374 -9.834 683 H GLN 83 H GLN 83 -0.902 2.671 -12.661 684 HA GLN 83 HA GLN 83 -1.433 5.407 -13.264 685 HB2 GLN 83 2HB GLN 83 0.857 4.399 -12.625 686 HB3 GLN 83 1HB GLN 83 0.977 3.825 -14.279 687 HG2 GLN 83 2HG GLN 83 0.659 6.751 -13.530 688 HG3 GLN 83 1HG GLN 83 2.221 5.974 -13.762 689 HE21 GLN 83 1HE2 GLN 83 1.477 4.386 -16.057 690 HE22 GLN 83 2HE2 GLN 83 1.260 5.476 -17.372 691 H GLN 84 H GLN 84 -0.816 2.524 -15.290 692 HA GLN 84 HA GLN 84 -1.268 3.773 -17.794 693 HB2 GLN 84 2HB GLN 84 0.019 1.676 -17.567 694 HB3 GLN 84 1HB GLN 84 -1.426 0.824 -17.032 695 HG2 GLN 84 2HG GLN 84 -0.933 0.298 -19.373 696 HG3 GLN 84 1HG GLN 84 -2.462 1.162 -19.251 697 HE21 GLN 84 1HE2 GLN 84 -2.599 3.269 -20.084 698 HE22 GLN 84 2HE2 GLN 84 -1.406 3.934 -21.134 699 H ARG 85 H ARG 85 -3.421 2.245 -15.458 700 HA ARG 85 HA ARG 85 -5.741 2.032 -17.065 701 HB2 ARG 85 2HB ARG 85 -5.573 0.836 -14.906 702 HB3 ARG 85 1HB ARG 85 -5.496 2.366 -14.040 703 HG2 ARG 85 2HG ARG 85 -7.736 1.333 -13.875 704 HG3 ARG 85 1HG ARG 85 -7.799 2.899 -14.687 705 HD2 ARG 85 2HD ARG 85 -7.886 1.741 -16.885 706 HD3 ARG 85 1HD ARG 85 -7.853 0.180 -16.054 707 HE ARG 85 HE ARG 85 -10.003 1.754 -15.085 708 HH11 ARG 85 1HH1 ARG 85 -9.111 -0.107 -17.942 709 HH12 ARG 85 2HH1 ARG 85 -10.754 -0.431 -18.389 710 HH21 ARG 85 1HH2 ARG 85 -12.157 1.309 -15.701 711 HH22 ARG 85 2HH2 ARG 85 -12.467 0.368 -17.126 712 H LEU 86 H LEU 86 -4.737 4.535 -14.697 713 HA LEU 86 HA LEU 86 -6.823 6.363 -15.252 714 HB2 LEU 86 2HB LEU 86 -4.067 6.790 -14.042 715 HB3 LEU 86 1HB LEU 86 -5.301 8.044 -14.101 716 HG LEU 86 HG LEU 86 -5.651 5.385 -12.661 717 HD11 LEU 86 1HD1 LEU 86 -3.862 6.781 -11.654 718 HD12 LEU 86 2HD1 LEU 86 -5.238 6.519 -10.595 719 HD13 LEU 86 3HD1 LEU 86 -5.043 8.075 -11.412 720 HD21 LEU 86 1HD2 LEU 86 -7.781 6.366 -13.370 721 HD22 LEU 86 2HD2 LEU 86 -7.354 7.904 -12.614 722 HD23 LEU 86 3HD2 LEU 86 -7.607 6.466 -11.621 723 H ASP 87 H ASP 87 -3.661 5.865 -16.726 724 HA ASP 87 HA ASP 87 -3.409 8.290 -18.159 725 HB2 ASP 87 2HB ASP 87 -1.468 6.826 -17.825 726 HB3 ASP 87 1HB ASP 87 -2.256 5.511 -18.688 727 H GLU 88 H GLU 88 -4.696 5.101 -19.061 728 HA GLU 88 HA GLU 88 -5.504 5.718 -21.698 729 HB2 GLU 88 2HB GLU 88 -5.236 3.387 -20.830 730 HB3 GLU 88 1HB GLU 88 -6.659 3.620 -19.814 731 HG2 GLU 88 2HG GLU 88 -8.013 4.025 -21.901 732 HG3 GLU 88 1HG GLU 88 -6.585 3.623 -22.856 733 H LEU 89 H LEU 89 -7.445 5.412 -18.691 734 HA LEU 89 HA LEU 89 -9.926 6.247 -19.551 735 HB2 LEU 89 2HB LEU 89 -8.616 6.717 -16.843 736 HB3 LEU 89 1HB LEU 89 -10.327 6.981 -17.150 737 HG LEU 89 HG LEU 89 -8.916 4.291 -17.377 738 HD11 LEU 89 1HD1 LEU 89 -10.100 3.688 -15.322 739 HD12 LEU 89 2HD1 LEU 89 -10.748 5.325 -15.197 740 HD13 LEU 89 3HD1 LEU 89 -9.009 5.048 -15.059 741 HD21 LEU 89 1HD2 LEU 89 -10.833 4.447 -18.900 742 HD22 LEU 89 2HD2 LEU 89 -11.876 4.955 -17.566 743 HD23 LEU 89 3HD2 LEU 89 -11.168 3.337 -17.575 744 H SER 90 H SER 90 -7.234 8.264 -18.455 745 HA SER 90 HA SER 90 -8.453 10.798 -18.561 746 HB2 SER 90 2HB SER 90 -5.558 9.906 -18.817 747 HB3 SER 90 1HB SER 90 -6.020 11.605 -18.890 748 HG SER 90 HG SER 90 -6.514 9.821 -16.747 749 H SER 91 H SER 91 -6.544 8.994 -20.959 750 HA SER 91 HA SER 91 -6.693 10.861 -23.075 751 HB2 SER 91 2HB SER 91 -4.964 9.117 -22.938 752 HB3 SER 91 1HB SER 91 -6.184 7.855 -23.085 753 HG SER 91 HG SER 91 -6.657 9.053 -25.188 754 H LEU 92 H LEU 92 -9.002 8.456 -21.937 755 HA LEU 92 HA LEU 92 -10.509 8.283 -24.422 756 HB2 LEU 92 2HB LEU 92 -11.308 7.326 -21.641 757 HB3 LEU 92 1HB LEU 92 -12.099 6.894 -23.149 758 HG LEU 92 HG LEU 92 -9.318 6.068 -22.264 759 HD11 LEU 92 1HD1 LEU 92 -11.057 4.837 -21.123 760 HD12 LEU 92 2HD1 LEU 92 -10.185 3.794 -22.243 761 HD13 LEU 92 3HD1 LEU 92 -11.794 4.391 -22.666 762 HD21 LEU 92 1HD2 LEU 92 -10.681 5.424 -24.891 763 HD22 LEU 92 2HD2 LEU 92 -9.167 4.723 -24.310 764 HD23 LEU 92 3HD2 LEU 92 -9.258 6.445 -24.660 765 H ILE 93 H ILE 93 -10.993 9.703 -21.207 766 HA ILE 93 HA ILE 93 -13.550 10.884 -21.693 767 HB ILE 93 HB ILE 93 -11.470 11.349 -19.507 768 HG12 ILE 93 2HG1 ILE 93 -14.072 9.748 -19.379 769 HG13 ILE 93 1HG1 ILE 93 -12.496 9.031 -19.694 770 HG21 ILE 93 1HG2 ILE 93 -12.917 13.332 -19.648 771 HG22 ILE 93 2HG2 ILE 93 -13.250 12.428 -18.171 772 HG23 ILE 93 3HG2 ILE 93 -14.355 12.312 -19.544 773 HD11 ILE 93 1HD1 ILE 93 -13.318 10.455 -17.162 774 HD12 ILE 93 2HD1 ILE 93 -11.724 9.767 -17.487 775 HD13 ILE 93 3HD1 ILE 93 -13.134 8.715 -17.391 776 H GLY 94 H GLY 94 -10.228 12.133 -21.644 777 HA2 GLY 94 2HA GLY 94 -10.951 14.337 -23.437 778 HA3 GLY 94 1HA GLY 94 -10.255 14.768 -21.874 779 H GLN 95 H GLN 95 -9.609 13.762 -25.053 780 HA GLN 95 HA GLN 95 -7.356 12.141 -24.933 781 HB2 GLN 95 2HB GLN 95 -8.109 14.187 -27.079 782 HB3 GLN 95 1HB GLN 95 -6.812 13.013 -27.265 783 HG2 GLN 95 2HG GLN 95 -8.705 12.160 -28.436 784 HG3 GLN 95 1HG GLN 95 -8.501 11.175 -26.995 785 HE21 GLN 95 1HE2 GLN 95 -10.105 11.280 -25.354 786 HE22 GLN 95 2HE2 GLN 95 -11.647 12.007 -25.634 787 H VAL 96 H VAL 96 -7.609 15.599 -24.720 788 HA VAL 96 HA VAL 96 -5.165 15.849 -23.264 789 HB VAL 96 HB VAL 96 -4.175 15.945 -25.492 790 HG11 VAL 96 1HG1 VAL 96 -6.061 18.220 -26.171 791 HG12 VAL 96 2HG1 VAL 96 -6.128 16.582 -26.821 792 HG13 VAL 96 3HG1 VAL 96 -4.748 17.618 -27.189 793 HG21 VAL 96 1HG2 VAL 96 -3.021 18.127 -25.401 794 HG22 VAL 96 2HG2 VAL 96 -3.171 17.404 -23.797 795 HG23 VAL 96 3HG2 VAL 96 -4.239 18.728 -24.269 796 H LEU 97 H LEU 97 -6.995 16.306 -21.835 797 HA LEU 97 HA LEU 97 -8.423 18.809 -22.032 798 HB2 LEU 97 2HB LEU 97 -9.047 16.661 -20.658 799 HB3 LEU 97 1HB LEU 97 -7.949 17.277 -19.443 800 HG LEU 97 HG LEU 97 -10.336 17.756 -18.923 801 HD11 LEU 97 1HD1 LEU 97 -8.672 19.277 -17.991 802 HD12 LEU 97 2HD1 LEU 97 -10.189 20.107 -18.328 803 HD13 LEU 97 3HD1 LEU 97 -8.808 20.319 -19.410 804 HD21 LEU 97 1HD2 LEU 97 -11.645 19.359 -20.228 805 HD22 LEU 97 2HD2 LEU 97 -11.206 17.957 -21.199 806 HD23 LEU 97 3HD2 LEU 97 -10.345 19.483 -21.418 807 H PHE 98 H PHE 98 -5.643 17.612 -20.193 808 HA PHE 98 HA PHE 98 -4.590 20.369 -19.872 809 HB2 PHE 98 2HB PHE 98 -3.806 17.846 -18.318 810 HB3 PHE 98 1HB PHE 98 -3.183 19.470 -18.044 811 HD1 PHE 98 HD1 PHE 98 -5.855 17.141 -17.301 812 HD2 PHE 98 HD2 PHE 98 -4.750 21.278 -17.176 813 HE1 PHE 98 HE1 PHE 98 -7.659 17.576 -15.693 814 HE2 PHE 98 HE2 PHE 98 -6.560 21.698 -15.564 815 HZ PHE 98 HZ PHE 98 -8.009 19.851 -14.822 816 H GLN 99 H GLN 99 -2.333 20.656 -20.327 817 HA GLN 99 HA GLN 99 -1.445 19.324 -22.700 818 HB2 GLN 99 2HB GLN 99 -1.035 21.743 -22.298 819 HB3 GLN 99 1HB GLN 99 -0.016 21.351 -20.917 820 HG2 GLN 99 2HG GLN 99 1.559 20.174 -22.475 821 HG3 GLN 99 1HG GLN 99 0.559 20.703 -23.829 822 HE21 GLN 99 1HE2 GLN 99 2.745 21.741 -21.296 823 HE22 GLN 99 2HE2 GLN 99 3.108 23.286 -21.981 824 H GLY 100 H GLY 100 0.341 17.959 -22.975 825 HA2 GLY 100 2HA GLY 100 2.182 16.678 -22.485 826 HA3 GLY 100 1HA GLY 100 2.207 17.355 -20.866 827 HA PRO 101 HA PRO 101 0.870 12.900 -20.593 828 HB2 PRO 101 2HB PRO 101 2.875 11.920 -19.088 829 HB3 PRO 101 1HB PRO 101 3.168 12.367 -20.783 830 HG2 PRO 101 2HG PRO 101 3.822 13.924 -18.293 831 HG3 PRO 101 1HG PRO 101 4.830 13.634 -19.732 832 HD2 PRO 101 2HD PRO 101 3.317 15.935 -19.324 833 HD3 PRO 101 1HD PRO 101 3.850 15.356 -20.917 834 H SER 102 H SER 102 -0.228 15.110 -18.978 835 HA SER 102 HA SER 102 -0.085 14.617 -16.187 836 HB2 SER 102 2HB SER 102 -2.379 15.920 -17.718 837 HB3 SER 102 1HB SER 102 -1.981 16.146 -16.014 838 HG SER 102 HG SER 102 -0.834 17.245 -18.280 839 H ALA 103 H ALA 103 -0.627 12.623 -15.375 840 HA ALA 103 HA ALA 103 -2.723 10.943 -16.391 841 HB1 ALA 103 1HB ALA 103 -2.250 9.498 -14.440 842 HB2 ALA 103 2HB ALA 103 -1.224 10.758 -13.747 843 HB3 ALA 103 3HB ALA 103 -0.759 9.973 -15.256 844 H GLY 104 H GLY 104 -4.516 12.282 -16.416 845 HA2 GLY 104 2HA GLY 104 -6.558 12.307 -14.772 846 HA3 GLY 104 1HA GLY 104 -5.558 13.506 -13.954 847 H LEU 105 H LEU 105 -6.207 12.842 -17.394 848 HA LEU 105 HA LEU 105 -6.603 15.642 -18.047 849 HB2 LEU 105 2HB LEU 105 -6.973 13.183 -19.810 850 HB3 LEU 105 1HB LEU 105 -6.881 14.846 -20.366 851 HG LEU 105 HG LEU 105 -4.594 13.303 -19.079 852 HD11 LEU 105 1HD1 LEU 105 -5.017 14.027 -21.994 853 HD12 LEU 105 2HD1 LEU 105 -5.139 12.412 -21.290 854 HD13 LEU 105 3HD1 LEU 105 -3.587 13.248 -21.306 855 HD21 LEU 105 1HD2 LEU 105 -4.620 16.061 -20.342 856 HD22 LEU 105 2HD2 LEU 105 -3.192 15.198 -19.757 857 HD23 LEU 105 3HD2 LEU 105 -4.443 15.695 -18.621 858 H VAL 106 H VAL 106 -8.392 15.437 -16.318 859 HA VAL 106 HA VAL 106 -11.004 15.166 -17.626 860 HB VAL 106 HB VAL 106 -11.969 14.135 -15.552 861 HG11 VAL 106 1HG1 VAL 106 -11.359 12.627 -17.388 862 HG12 VAL 106 2HG1 VAL 106 -11.077 11.832 -15.839 863 HG13 VAL 106 3HG1 VAL 106 -9.713 12.482 -16.760 864 HG21 VAL 106 1HG2 VAL 106 -10.493 13.138 -13.818 865 HG22 VAL 106 2HG2 VAL 106 -10.322 14.892 -13.886 866 HG23 VAL 106 3HG2 VAL 106 -9.085 13.861 -14.608 867 HA PRO 107 HA PRO 107 -11.226 19.118 -15.381 868 HB2 PRO 107 2HB PRO 107 -13.576 20.056 -16.372 869 HB3 PRO 107 1HB PRO 107 -12.120 19.953 -17.386 870 HG2 PRO 107 2HG PRO 107 -14.511 18.164 -17.344 871 HG3 PRO 107 1HG PRO 107 -13.512 18.676 -18.720 872 HD2 PRO 107 2HD PRO 107 -13.290 16.208 -17.360 873 HD3 PRO 107 1HD PRO 107 -12.078 16.891 -18.465 874 H ARG 108 H ARG 108 -12.164 19.795 -13.458 875 HA ARG 108 HA ARG 108 -13.816 17.937 -12.000 876 HB2 ARG 108 2HB ARG 108 -13.698 19.708 -10.154 877 HB3 ARG 108 1HB ARG 108 -12.189 18.988 -10.669 878 HG2 ARG 108 2HG ARG 108 -11.640 21.226 -10.358 879 HG3 ARG 108 1HG ARG 108 -11.843 21.100 -12.100 880 HD2 ARG 108 2HD ARG 108 -14.050 22.105 -10.277 881 HD3 ARG 108 1HD ARG 108 -12.814 23.176 -10.941 882 HE ARG 108 HE ARG 108 -13.925 21.765 -13.073 883 HH11 ARG 108 1HH1 ARG 108 -14.988 24.199 -10.767 884 HH12 ARG 108 2HH1 ARG 108 -16.181 24.850 -11.841 885 HH21 ARG 108 1HH2 ARG 108 -15.534 22.577 -14.411 886 HH22 ARG 108 2HH2 ARG 108 -16.489 23.932 -13.900 887 H GLY 109 H GLY 109 -15.696 19.048 -10.626 888 HA2 GLY 109 2HA GLY 109 -17.818 19.951 -10.620 889 HA3 GLY 109 1HA GLY 109 -17.448 20.788 -12.119 890 H SER 110 H SER 110 -16.692 17.584 -12.597 891 HA SER 110 HA SER 110 -19.186 17.004 -14.020 892 HB2 SER 110 2HB SER 110 -17.805 15.091 -14.956 893 HB3 SER 110 1HB SER 110 -17.138 16.687 -15.291 894 HG SER 110 HG SER 110 -15.393 15.967 -14.398 895 H GLY 111 H GLY 111 -18.844 14.035 -13.774 896 HA2 GLY 111 2HA GLY 111 -19.339 13.501 -10.931 897 HA3 GLY 111 1HA GLY 111 -20.717 13.323 -12.010 898 H GLY 112 H GLY 112 -18.921 11.433 -10.341 899 HA2 GLY 112 2HA GLY 112 -18.683 9.141 -10.471 900 HA3 GLY 112 1HA GLY 112 -19.097 9.188 -12.178 901 H ILE 113 H ILE 113 -17.392 10.372 -13.529 902 HA ILE 113 HA ILE 113 -15.057 8.859 -13.659 903 HB ILE 113 HB ILE 113 -14.284 10.516 -15.387 904 HG12 ILE 113 2HG1 ILE 113 -16.811 12.102 -14.693 905 HG13 ILE 113 1HG1 ILE 113 -15.182 12.592 -14.253 906 HG21 ILE 113 1HG2 ILE 113 -17.211 9.736 -15.649 907 HG22 ILE 113 2HG2 ILE 113 -15.827 8.712 -16.034 908 HG23 ILE 113 3HG2 ILE 113 -16.137 10.165 -16.986 909 HD11 ILE 113 1HD1 ILE 113 -14.604 12.798 -16.623 910 HD12 ILE 113 2HD1 ILE 113 -15.960 13.826 -16.167 911 HD13 ILE 113 3HD1 ILE 113 -16.252 12.337 -17.062 912 H GLU 114 H GLU 114 -15.606 12.057 -12.252 913 HA GLU 114 HA GLU 114 -12.840 12.694 -11.875 914 HB2 GLU 114 2HB GLU 114 -13.861 14.638 -10.457 915 HB3 GLU 114 1HB GLU 114 -14.135 14.608 -12.189 916 HG2 GLU 114 2HG GLU 114 -16.171 15.269 -11.107 917 HG3 GLU 114 1HG GLU 114 -16.391 13.677 -11.818 918 H GLY 115 H GLY 115 -15.315 11.156 -9.882 919 HA2 GLY 115 2HA GLY 115 -13.934 11.344 -7.370 920 HA3 GLY 115 1HA GLY 115 -15.234 10.231 -7.777 921 H MET1001 H MET 1 -14.202 8.874 -9.880 922 HA MET1001 HA MET 1 -12.600 6.846 -8.800 923 HB2 MET1001 2HB MET 1 -14.057 6.472 -10.728 924 HB3 MET1001 1HB MET 1 -13.175 7.651 -11.682 925 HG2 MET1001 2HG MET 1 -11.197 6.147 -11.673 926 HG3 MET1001 1HG MET 1 -12.132 4.959 -10.761 927 HE1 MET1001 1HE MET 1 -11.953 6.982 -14.183 928 HE2 MET1001 2HE MET 1 -13.603 7.284 -13.633 929 HE3 MET1001 3HE MET 1 -13.315 6.276 -15.051 930 H THR1002 H THR 2 -11.728 9.507 -11.037 931 HA THR1002 HA THR 2 -8.975 8.853 -11.236 932 HB THR1002 HB THR 2 -8.737 11.195 -12.217 933 HG1 THR1002 HG1 THR 2 -10.297 12.561 -11.849 934 HG21 THR1002 1HG2 THR 2 -10.063 10.732 -14.247 935 HG22 THR1002 2HG2 THR 2 -10.986 9.503 -13.380 936 HG23 THR1002 3HG2 THR 2 -9.262 9.266 -13.676 937 H THR1003 H THR 3 -10.715 11.302 -9.223 938 HA THR1003 HA THR 3 -8.496 12.522 -8.017 939 HB THR1003 HB THR 3 -11.308 12.103 -6.929 940 HG1 THR1003 HG1 THR 3 -10.798 13.502 -8.835 941 HG21 THR1003 1HG2 THR 3 -9.125 13.883 -5.764 942 HG22 THR1003 2HG2 THR 3 -9.844 12.476 -4.978 943 HG23 THR1003 3HG2 THR 3 -10.825 13.910 -5.282 944 H ARG1004 H ARG 4 -10.423 9.732 -6.854 945 HA ARG1004 HA ARG 4 -9.033 9.220 -4.486 946 HB2 ARG1004 2HB ARG 4 -10.624 7.378 -6.293 947 HB3 ARG1004 1HB ARG 4 -9.862 6.787 -4.817 948 HG2 ARG1004 2HG ARG 4 -11.185 8.467 -3.518 949 HG3 ARG1004 1HG ARG 4 -12.026 8.905 -5.013 950 HD2 ARG1004 2HD ARG 4 -12.858 6.608 -5.235 951 HD3 ARG1004 1HD ARG 4 -11.957 6.121 -3.794 952 HE ARG1004 HE ARG 4 -14.240 8.001 -3.818 953 HH11 ARG1004 1HH1 ARG 4 -12.288 5.602 -2.112 954 HH12 ARG1004 2HH1 ARG 4 -13.345 5.571 -0.736 955 HH21 ARG1004 1HH2 ARG 4 -15.604 7.918 -2.028 956 HH22 ARG1004 2HH2 ARG 4 -15.219 6.884 -0.691 957 H LEU1005 H LEU 5 -8.596 7.738 -7.742 958 HA LEU1005 HA LEU 5 -6.492 6.028 -6.833 959 HB2 LEU1005 2HB LEU 5 -7.526 6.666 -9.599 960 HB3 LEU1005 1HB LEU 5 -6.167 5.584 -9.343 961 HG LEU1005 HG LEU 5 -9.003 5.146 -8.334 962 HD11 LEU1005 1HD1 LEU 5 -7.443 3.723 -10.509 963 HD12 LEU1005 2HD1 LEU 5 -8.818 4.810 -10.736 964 HD13 LEU1005 3HD1 LEU 5 -9.048 3.269 -9.916 965 HD21 LEU1005 1HD2 LEU 5 -7.396 4.233 -6.721 966 HD22 LEU1005 2HD2 LEU 5 -6.566 3.351 -8.009 967 HD23 LEU1005 3HD2 LEU 5 -8.226 2.935 -7.572 968 H THR1006 H THR 6 -6.436 9.264 -8.271 969 HA THR1006 HA THR 6 -3.626 9.239 -8.886 970 HB THR1006 HB THR 6 -3.831 11.769 -9.006 971 HG1 THR1006 HG1 THR 6 -6.601 11.658 -8.907 972 HG21 THR1006 1HG2 THR 6 -5.909 10.232 -10.612 973 HG22 THR1006 2HG2 THR 6 -4.204 10.407 -11.031 974 HG23 THR1006 3HG2 THR 6 -5.256 11.823 -11.018 975 H ARG1007 H ARG 7 -5.580 10.593 -6.208 976 HA ARG1007 HA ARG 7 -3.511 11.445 -4.499 977 HB2 ARG1007 2HB ARG 7 -5.886 12.035 -4.124 978 HB3 ARG1007 1HB ARG 7 -6.273 10.346 -3.803 979 HG2 ARG1007 2HG ARG 7 -4.827 10.403 -1.776 980 HG3 ARG1007 1HG ARG 7 -4.466 12.102 -2.096 981 HD2 ARG1007 2HD ARG 7 -6.878 12.650 -1.827 982 HD3 ARG1007 1HD ARG 7 -7.209 10.952 -1.472 983 HE ARG1007 HE ARG 7 -6.050 11.157 0.575 984 HH11 ARG1007 1HH1 ARG 7 -6.319 14.256 -1.083 985 HH12 ARG1007 2HH1 ARG 7 -5.973 15.180 0.342 986 HH21 ARG1007 1HH2 ARG 7 -5.593 12.391 2.424 987 HH22 ARG1007 2HH2 ARG 7 -5.562 14.123 2.328 988 H TRP1008 H TRP 8 -4.954 8.317 -5.052 989 HA TRP1008 HA TRP 8 -3.841 6.853 -2.903 990 HB2 TRP1008 2HB TRP 8 -5.697 5.770 -3.783 991 HB3 TRP1008 1HB TRP 8 -5.358 6.278 -5.418 992 HD1 TRP1008 HD1 TRP 8 -3.732 4.702 -6.883 993 HE1 TRP1008 HE1 TRP 8 -3.263 2.199 -6.715 994 HE3 TRP1008 HE3 TRP 8 -5.440 3.854 -2.158 995 HZ2 TRP1008 HZ2 TRP 8 -3.625 0.107 -4.902 996 HZ3 TRP1008 HZ3 TRP 8 -5.369 1.561 -1.286 997 HH2 TRP1008 HH2 TRP 8 -4.476 -0.275 -2.631 998 H LEU1009 H LEU 9 -2.767 7.368 -6.327 999 HA LEU1009 HA LEU 9 -0.557 5.521 -6.165 1000 HB2 LEU1009 2HB LEU 9 -1.077 7.761 -8.172 1001 HB3 LEU1009 1HB LEU 9 0.234 6.602 -8.312 1002 HG LEU1009 HG LEU 9 -2.737 5.967 -8.484 1003 HD11 LEU1009 1HD1 LEU 9 -2.296 5.426 -10.821 1004 HD12 LEU1009 2HD1 LEU 9 -0.609 5.923 -10.633 1005 HD13 LEU1009 3HD1 LEU 9 -1.907 7.110 -10.466 1006 HD21 LEU1009 1HD2 LEU 9 -1.538 4.096 -7.445 1007 HD22 LEU1009 2HD2 LEU 9 -0.406 4.058 -8.800 1008 HD23 LEU1009 3HD2 LEU 9 -2.116 3.689 -9.060 1009 H THR1010 H THR 10 -1.052 8.931 -5.688 1010 HA THR1010 HA THR 10 1.552 9.869 -5.268 1011 HB THR1010 HB THR 10 -1.096 10.773 -4.039 1012 HG1 THR1010 HG1 THR 10 -0.552 10.807 -6.470 1013 HG21 THR1010 1HG2 THR 10 0.800 11.656 -2.739 1014 HG22 THR1010 2HG2 THR 10 -0.018 12.939 -3.632 1015 HG23 THR1010 3HG2 THR 10 1.517 12.297 -4.218 1016 H ALA1011 H ALA 11 -0.882 8.585 -2.966 1017 HA ALA1011 HA ALA 11 0.737 8.791 -0.628 1018 HB1 ALA1011 1HB ALA 11 -1.059 7.492 0.465 1019 HB2 ALA1011 2HB ALA 11 -1.767 7.130 -1.112 1020 HB3 ALA1011 3HB ALA 11 -1.729 8.793 -0.524 1021 H LEU1012 H LEU 12 0.281 6.291 -3.073 1022 HA LEU1012 HA LEU 12 1.536 4.119 -1.728 1023 HB2 LEU1012 2HB LEU 12 1.441 4.635 -4.736 1024 HB3 LEU1012 1HB LEU 12 1.890 3.120 -3.975 1025 HG LEU1012 HG LEU 12 -0.851 4.355 -4.252 1026 HD11 LEU1012 1HD1 LEU 12 0.212 1.614 -4.956 1027 HD12 LEU1012 2HD1 LEU 12 -0.126 2.941 -6.072 1028 HD13 LEU1012 3HD1 LEU 12 -1.447 2.175 -5.195 1029 HD21 LEU1012 1HD2 LEU 12 -0.176 2.123 -2.309 1030 HD22 LEU1012 2HD2 LEU 12 -1.805 2.617 -2.784 1031 HD23 LEU1012 3HD2 LEU 12 -0.772 3.737 -1.905 1032 H ASP1013 H ASP 13 2.661 6.708 -3.852 1033 HA ASP1013 HA ASP 13 5.350 5.771 -4.123 1034 HB2 ASP1013 2HB ASP 13 4.144 7.198 -5.824 1035 HB3 ASP1013 1HB ASP 13 4.252 8.560 -4.709 1036 H ASN1014 H ASN 14 3.774 8.229 -2.084 1037 HA ASN1014 HA ASN 14 6.193 9.231 -0.923 1038 HB2 ASN1014 2HB ASN 14 3.267 9.597 -0.176 1039 HB3 ASN1014 1HB ASN 14 4.570 10.304 0.781 1040 HD21 ASN1014 1HD2 ASN 14 5.911 11.922 -0.207 1041 HD22 ASN1014 2HD2 ASN 14 5.341 12.831 -1.564 1042 H PHE1015 H PHE 15 3.797 6.763 -0.003 1043 HA PHE1015 HA PHE 15 4.859 6.022 2.489 1044 HB2 PHE1015 2HB PHE 15 2.764 5.057 1.906 1045 HB3 PHE1015 1HB PHE 15 3.345 4.505 0.344 1046 HD1 PHE1015 HD1 PHE 15 3.715 2.243 0.111 1047 HD2 PHE1015 HD2 PHE 15 4.090 3.922 4.013 1048 HE1 PHE1015 HE1 PHE 15 4.086 0.008 1.027 1049 HE2 PHE1015 HE2 PHE 15 4.471 1.662 4.933 1050 HZ PHE1015 HZ PHE 15 4.459 -0.294 3.428 1051 H GLU1016 H GLU 16 5.455 4.540 -0.726 1052 HA GLU1016 HA GLU 16 7.459 2.785 -0.110 1053 HB2 GLU1016 2HB GLU 16 6.350 2.813 -2.296 1054 HB3 GLU1016 1HB GLU 16 7.113 4.351 -2.698 1055 HG2 GLU1016 2HG GLU 16 9.327 3.288 -2.722 1056 HG3 GLU1016 1HG GLU 16 8.627 1.763 -2.188 1057 H ALA1017 H ALA 17 7.842 6.221 -0.949 1058 HA ALA1017 HA ALA 17 10.660 6.324 -1.006 1059 HB1 ALA1017 1HB ALA 17 9.246 8.090 -1.975 1060 HB2 ALA1017 2HB ALA 17 10.390 8.759 -0.813 1061 HB3 ALA1017 3HB ALA 17 8.697 8.549 -0.359 1062 H LYS1018 H LYS 18 8.407 7.422 1.557 1063 HA LYS1018 HA LYS 18 10.391 8.063 3.461 1064 HB2 LYS1018 2HB LYS 18 7.393 7.698 3.540 1065 HB3 LYS1018 1HB LYS 18 8.254 7.897 5.061 1066 HG2 LYS1018 2HG LYS 18 8.608 9.884 2.803 1067 HG3 LYS1018 1HG LYS 18 7.242 10.002 3.909 1068 HD2 LYS1018 2HD LYS 18 10.039 9.808 5.062 1069 HD3 LYS1018 1HD LYS 18 9.495 11.340 4.382 1070 HE2 LYS1018 2HE LYS 18 9.159 11.116 6.868 1071 HE3 LYS1018 1HE LYS 18 7.705 11.518 5.960 1072 HZ1 LYS1018 1HZ LYS 18 8.389 8.784 6.892 1073 HZ2 LYS1018 2HZ LYS 18 6.941 9.271 6.171 1074 HZ3 LYS1018 3HZ LYS 18 7.357 9.840 7.707 1075 H MET1019 H MET 19 8.650 5.065 2.891 1076 HA MET1019 HA MET 19 9.453 3.899 5.401 1077 HB2 MET1019 2HB MET 19 8.153 2.016 4.871 1078 HB3 MET1019 1HB MET 19 7.242 3.379 4.260 1079 HG2 MET1019 2HG MET 19 7.300 2.604 2.127 1080 HG3 MET1019 1HG MET 19 8.998 2.144 2.222 1081 HE1 MET1019 1HE MET 19 9.818 -0.033 3.517 1082 HE2 MET1019 2HE MET 19 8.715 -1.255 4.144 1083 HE3 MET1019 3HE MET 19 8.791 0.330 4.910 1084 H ALA1020 H ALA 20 10.551 3.820 2.031 1085 HA ALA1020 HA ALA 20 12.690 1.961 2.474 1086 HB1 ALA1020 1HB ALA 20 13.616 2.812 0.366 1087 HB2 ALA1020 2HB ALA 20 12.475 4.161 0.385 1088 HB3 ALA1020 3HB ALA 20 11.883 2.507 0.204 1089 H LEU1021 H LEU 21 12.234 5.390 3.106 1090 HA LEU1021 HA LEU 21 14.993 6.004 3.675 1091 HB2 LEU1021 2HB LEU 21 12.425 7.489 4.364 1092 HB3 LEU1021 1HB LEU 21 14.027 8.108 4.723 1093 HG LEU1021 HG LEU 21 12.944 7.584 1.926 1094 HD11 LEU1021 1HD1 LEU 21 12.870 10.014 1.671 1095 HD12 LEU1021 2HD1 LEU 21 13.378 10.227 3.350 1096 HD13 LEU1021 3HD1 LEU 21 11.819 9.482 2.981 1097 HD21 LEU1021 1HD2 LEU 21 15.575 8.833 2.785 1098 HD22 LEU1021 2HD2 LEU 21 14.961 8.749 1.130 1099 HD23 LEU1021 3HD2 LEU 21 15.360 7.269 1.992 1100 H LEU1022 H LEU 22 12.332 4.617 5.554 1101 HA LEU1022 HA LEU 22 13.214 4.854 8.173 1102 HB2 LEU1022 2HB LEU 22 12.136 2.361 6.802 1103 HB3 LEU1022 1HB LEU 22 12.375 2.468 8.538 1104 HG LEU1022 HG LEU 22 10.441 4.201 6.940 1105 HD11 LEU1022 1HD1 LEU 22 9.850 1.835 8.755 1106 HD12 LEU1022 2HD1 LEU 22 9.685 1.872 6.996 1107 HD13 LEU1022 3HD1 LEU 22 8.656 2.894 7.992 1108 HD21 LEU1022 1HD2 LEU 22 11.268 5.357 8.929 1109 HD22 LEU1022 2HD2 LEU 22 10.825 3.976 9.939 1110 HD23 LEU1022 3HD2 LEU 22 9.573 4.913 9.115 1111 HA PRO1023 HA PRO 23 17.344 2.919 7.549 1112 HB2 PRO1023 2HB PRO 23 18.725 4.323 9.357 1113 HB3 PRO1023 1HB PRO 23 17.999 5.169 7.971 1114 HG2 PRO1023 2HG PRO 23 17.018 5.032 10.808 1115 HG3 PRO1023 1HG PRO 23 17.057 6.421 9.700 1116 HD2 PRO1023 2HD PRO 23 14.815 4.760 10.156 1117 HD3 PRO1023 1HD PRO 23 15.009 5.885 8.793 1118 H ALA1024 H ALA 24 15.226 1.661 9.185 1119 HA ALA1024 HA ALA 24 16.809 0.317 11.297 1120 HB1 ALA1024 1HB ALA 24 13.891 1.181 11.491 1121 HB2 ALA1024 2HB ALA 24 15.245 1.915 12.355 1122 HB3 ALA1024 3HB ALA 24 14.774 0.252 12.707 1123 H VAL1025 H VAL 25 13.974 0.221 9.174 1124 HA VAL1025 HA VAL 25 14.241 -2.701 8.829 1125 HB VAL1025 HB VAL 25 11.716 -2.875 8.756 1126 HG11 VAL1025 1HG1 VAL 25 12.932 -3.596 10.764 1127 HG12 VAL1025 2HG1 VAL 25 11.370 -2.901 11.201 1128 HG13 VAL1025 3HG1 VAL 25 12.847 -1.959 11.430 1129 HG21 VAL1025 1HG2 VAL 25 11.760 -0.057 9.923 1130 HG22 VAL1025 2HG2 VAL 25 10.329 -1.084 9.789 1131 HG23 VAL1025 3HG2 VAL 25 11.144 -0.517 8.333 Start of MODEL 6 1 H1 MET 1 1H MET 1 6.470 -5.167 23.709 2 H2 MET 1 2H MET 1 7.002 -6.539 24.532 3 H3 MET 1 3H MET 1 5.560 -5.792 24.984 4 HA MET 1 HA MET 1 6.094 -7.125 22.416 5 HB2 MET 1 2HB MET 1 4.552 -8.877 23.195 6 HB3 MET 1 1HB MET 1 5.912 -8.709 24.294 7 HG2 MET 1 2HG MET 1 4.036 -9.005 25.681 8 HG3 MET 1 1HG MET 1 4.365 -7.275 25.749 9 HE1 MET 1 1HE MET 1 0.884 -9.184 23.366 10 HE2 MET 1 2HE MET 1 1.949 -10.097 24.432 11 HE3 MET 1 3HE MET 1 2.572 -9.431 22.920 12 H THR 2 H THR 2 4.241 -4.754 24.087 13 HA THR 2 HA THR 2 1.737 -5.004 22.783 14 HB THR 2 HB THR 2 1.441 -2.568 23.551 15 HG1 THR 2 HG1 THR 2 3.115 -1.834 24.983 16 HG21 THR 2 1HG2 THR 2 0.703 -4.444 24.981 17 HG22 THR 2 2HG2 THR 2 1.367 -3.133 25.957 18 HG23 THR 2 3HG2 THR 2 2.330 -4.580 25.655 19 H SER 3 H SER 3 4.341 -2.590 22.263 20 HA SER 3 HA SER 3 3.319 -1.484 19.857 21 HB2 SER 3 2HB SER 3 6.196 -1.479 20.877 22 HB3 SER 3 1HB SER 3 5.505 -0.361 19.696 23 HG SER 3 HG SER 3 4.248 -0.580 22.193 24 H THR 4 H THR 4 5.290 -4.253 20.532 25 HA THR 4 HA THR 4 6.389 -4.825 18.008 26 HB THR 4 HB THR 4 5.597 -6.693 20.285 27 HG1 THR 4 HG1 THR 4 8.241 -6.257 20.065 28 HG21 THR 4 1HG2 THR 4 7.284 -8.259 19.348 29 HG22 THR 4 2HG2 THR 4 7.481 -7.198 17.952 30 HG23 THR 4 3HG2 THR 4 5.937 -8.004 18.236 31 H VAL 5 H VAL 5 3.464 -6.159 19.612 32 HA VAL 5 HA VAL 5 2.470 -7.641 17.437 33 HB VAL 5 HB VAL 5 0.996 -6.441 19.834 34 HG11 VAL 5 1HG1 VAL 5 -0.884 -7.988 19.336 35 HG12 VAL 5 2HG1 VAL 5 -0.094 -8.471 17.833 36 HG13 VAL 5 3HG1 VAL 5 -0.658 -6.812 18.039 37 HG21 VAL 5 1HG2 VAL 5 1.085 -8.728 20.741 38 HG22 VAL 5 2HG2 VAL 5 2.709 -8.142 20.378 39 HG23 VAL 5 3HG2 VAL 5 1.923 -9.290 19.292 40 H GLU 6 H GLU 6 1.840 -4.295 18.467 41 HA GLU 6 HA GLU 6 -0.100 -3.560 16.592 42 HB2 GLU 6 2HB GLU 6 2.106 -1.928 17.903 43 HB3 GLU 6 1HB GLU 6 0.844 -1.207 16.907 44 HG2 GLU 6 2HG GLU 6 -0.877 -2.050 18.463 45 HG3 GLU 6 1HG GLU 6 0.384 -2.779 19.456 46 H PHE 7 H PHE 7 3.440 -3.292 16.349 47 HA PHE 7 HA PHE 7 3.568 -1.973 13.864 48 HB2 PHE 7 2HB PHE 7 5.354 -2.145 15.697 49 HB3 PHE 7 1HB PHE 7 5.725 -3.752 15.089 50 HD1 PHE 7 HD1 PHE 7 7.644 -3.842 13.727 51 HD2 PHE 7 HD2 PHE 7 5.284 -0.264 13.690 52 HE1 PHE 7 HE1 PHE 7 9.283 -2.766 12.236 53 HE2 PHE 7 HE2 PHE 7 6.928 0.796 12.196 54 HZ PHE 7 HZ PHE 7 8.931 -0.448 11.476 55 H ILE 8 H ILE 8 4.045 -5.419 14.699 56 HA ILE 8 HA ILE 8 4.662 -6.286 12.049 57 HB ILE 8 HB ILE 8 3.782 -8.001 14.422 58 HG12 ILE 8 2HG1 ILE 8 6.642 -7.292 13.594 59 HG13 ILE 8 1HG1 ILE 8 5.782 -6.525 14.925 60 HG21 ILE 8 1HG2 ILE 8 3.700 -9.222 12.274 61 HG22 ILE 8 2HG2 ILE 8 4.998 -9.839 13.292 62 HG23 ILE 8 3HG2 ILE 8 5.375 -8.772 11.937 63 HD11 ILE 8 1HD1 ILE 8 7.322 -8.240 15.694 64 HD12 ILE 8 2HD1 ILE 8 6.462 -9.455 14.751 65 HD13 ILE 8 3HD1 ILE 8 5.656 -8.646 16.097 66 H ASN 9 H ASN 9 1.654 -6.283 13.994 67 HA ASN 9 HA ASN 9 0.129 -7.830 12.082 68 HB2 ASN 9 2HB ASN 9 -0.614 -6.318 14.604 69 HB3 ASN 9 1HB ASN 9 -1.872 -6.923 13.536 70 HD21 ASN 9 1HD2 ASN 9 0.905 -7.951 15.469 71 HD22 ASN 9 2HD2 ASN 9 0.337 -9.549 15.755 72 H ARG 10 H ARG 10 0.733 -4.402 12.585 73 HA ARG 10 HA ARG 10 -1.246 -3.499 10.712 74 HB2 ARG 10 2HB ARG 10 1.174 -2.197 11.990 75 HB3 ARG 10 1HB ARG 10 0.317 -1.383 10.683 76 HG2 ARG 10 2HG ARG 10 -1.725 -1.283 11.964 77 HG3 ARG 10 1HG ARG 10 -1.061 -2.328 13.221 78 HD2 ARG 10 2HD ARG 10 0.417 -0.619 14.002 79 HD3 ARG 10 1HD ARG 10 0.153 0.371 12.564 80 HE ARG 10 HE ARG 10 -2.134 0.744 13.346 81 HH11 ARG 10 1HH1 ARG 10 0.137 -0.320 15.785 82 HH12 ARG 10 2HH1 ARG 10 -0.767 0.362 17.100 83 HH21 ARG 10 1HH2 ARG 10 -3.265 1.690 15.052 84 HH22 ARG 10 2HH2 ARG 10 -2.696 1.501 16.678 85 H TRP 11 H TRP 11 2.307 -4.128 10.427 86 HA TRP 11 HA TRP 11 2.524 -3.706 7.643 87 HB2 TRP 11 2HB TRP 11 4.130 -5.455 9.541 88 HB3 TRP 11 1HB TRP 11 4.500 -5.400 7.821 89 HD1 TRP 11 HD1 TRP 11 5.566 -3.830 10.905 90 HE1 TRP 11 HE1 TRP 11 6.764 -1.622 10.450 91 HE3 TRP 11 HE3 TRP 11 4.177 -3.080 6.044 92 HZ2 TRP 11 HZ2 TRP 11 7.110 0.220 8.370 93 HZ3 TRP 11 HZ3 TRP 11 4.982 -1.062 4.892 94 HH2 TRP 11 HH2 TRP 11 6.415 0.553 6.040 95 H GLN 12 H GLN 12 1.602 -6.540 9.490 96 HA GLN 12 HA GLN 12 1.332 -8.485 7.520 97 HB2 GLN 12 2HB GLN 12 1.118 -9.023 9.892 98 HB3 GLN 12 1HB GLN 12 -0.268 -7.955 10.056 99 HG2 GLN 12 2HG GLN 12 -1.127 -10.159 10.077 100 HG3 GLN 12 1HG GLN 12 -1.534 -9.495 8.499 101 HE21 GLN 12 1HE2 GLN 12 0.380 -11.807 10.222 102 HE22 GLN 12 2HE2 GLN 12 0.896 -12.713 8.855 103 H ARG 13 H ARG 13 -1.087 -6.187 8.794 104 HA ARG 13 HA ARG 13 -3.222 -6.853 7.123 105 HB2 ARG 13 2HB ARG 13 -3.440 -5.513 9.214 106 HB3 ARG 13 1HB ARG 13 -2.652 -4.153 8.425 107 HG2 ARG 13 2HG ARG 13 -5.075 -3.816 8.484 108 HG3 ARG 13 1HG ARG 13 -4.528 -3.993 6.818 109 HD2 ARG 13 2HD ARG 13 -5.261 -6.380 6.870 110 HD3 ARG 13 1HD ARG 13 -5.882 -6.128 8.505 111 HE ARG 13 HE ARG 13 -7.000 -4.235 6.716 112 HH11 ARG 13 1HH1 ARG 13 -7.253 -7.647 7.569 113 HH12 ARG 13 2HH1 ARG 13 -8.901 -7.779 7.044 114 HH21 ARG 13 1HH2 ARG 13 -9.165 -4.435 6.020 115 HH22 ARG 13 2HH2 ARG 13 -9.980 -5.962 6.168 116 H ILE 14 H ILE 14 -0.636 -4.439 6.679 117 HA ILE 14 HA ILE 14 -1.664 -3.185 4.335 118 HB ILE 14 HB ILE 14 1.232 -3.361 5.310 119 HG12 ILE 14 2HG1 ILE 14 -0.822 -1.150 5.753 120 HG13 ILE 14 1HG1 ILE 14 -0.339 -2.332 6.960 121 HG21 ILE 14 1HG2 ILE 14 1.090 -2.673 2.929 122 HG22 ILE 14 2HG2 ILE 14 1.684 -1.368 3.948 123 HG23 ILE 14 3HG2 ILE 14 0.014 -1.348 3.372 124 HD11 ILE 14 1HD1 ILE 14 1.430 -0.254 5.700 125 HD12 ILE 14 2HD1 ILE 14 1.948 -1.465 6.878 126 HD13 ILE 14 3HD1 ILE 14 0.763 -0.240 7.330 127 H ALA 15 H ALA 15 0.602 -5.869 4.868 128 HA ALA 15 HA ALA 15 1.400 -6.281 2.184 129 HB1 ALA 15 1HB ALA 15 2.644 -7.164 4.112 130 HB2 ALA 15 2HB ALA 15 2.239 -8.448 2.976 131 HB3 ALA 15 3HB ALA 15 1.320 -8.272 4.475 132 H LEU 16 H LEU 16 -1.167 -7.713 4.162 133 HA LEU 16 HA LEU 16 -2.147 -9.585 2.271 134 HB2 LEU 16 2HB LEU 16 -3.558 -8.308 4.649 135 HB3 LEU 16 1HB LEU 16 -4.162 -9.695 3.753 136 HG LEU 16 HG LEU 16 -1.634 -9.622 5.445 137 HD11 LEU 16 1HD1 LEU 16 -2.792 -11.140 6.962 138 HD12 LEU 16 2HD1 LEU 16 -4.240 -11.090 5.950 139 HD13 LEU 16 3HD1 LEU 16 -3.695 -9.634 6.785 140 HD21 LEU 16 1HD2 LEU 16 -1.447 -12.041 5.004 141 HD22 LEU 16 2HD2 LEU 16 -1.273 -11.087 3.535 142 HD23 LEU 16 3HD2 LEU 16 -2.787 -11.936 3.858 143 H LEU 17 H LEU 17 -3.210 -6.306 3.189 144 HA LEU 17 HA LEU 17 -5.435 -6.083 1.485 145 HB2 LEU 17 2HB LEU 17 -3.618 -3.976 2.710 146 HB3 LEU 17 1HB LEU 17 -4.972 -3.532 1.685 147 HG LEU 17 HG LEU 17 -5.257 -5.099 4.285 148 HD11 LEU 17 1HD1 LEU 17 -5.771 -2.143 3.799 149 HD12 LEU 17 2HD1 LEU 17 -4.425 -2.819 4.717 150 HD13 LEU 17 3HD1 LEU 17 -6.074 -3.028 5.299 151 HD21 LEU 17 1HD2 LEU 17 -7.076 -5.511 2.668 152 HD22 LEU 17 2HD2 LEU 17 -7.374 -3.773 2.552 153 HD23 LEU 17 3HD2 LEU 17 -7.647 -4.620 4.079 154 H SER 18 H SER 18 -2.046 -5.040 1.016 155 HA SER 18 HA SER 18 -2.323 -3.895 -1.528 156 HB2 SER 18 2HB SER 18 -0.339 -3.668 0.060 157 HB3 SER 18 1HB SER 18 0.203 -5.251 -0.491 158 HG SER 18 HG SER 18 0.626 -2.893 -1.614 159 H GLN 19 H GLN 19 -1.560 -7.211 -0.529 160 HA GLN 19 HA GLN 19 -1.036 -8.349 -3.067 161 HB2 GLN 19 2HB GLN 19 -0.458 -9.388 -0.881 162 HB3 GLN 19 1HB GLN 19 -2.168 -9.659 -0.558 163 HG2 GLN 19 2HG GLN 19 -2.273 -11.181 -2.523 164 HG3 GLN 19 1HG GLN 19 -0.547 -10.925 -2.790 165 HE21 GLN 19 1HE2 GLN 19 -2.083 -11.266 0.383 166 HE22 GLN 19 2HE2 GLN 19 -1.347 -12.778 0.773 167 H SER 20 H SER 20 -4.020 -8.173 -1.133 168 HA SER 20 HA SER 20 -5.759 -9.562 -2.852 169 HB2 SER 20 2HB SER 20 -6.366 -7.367 -0.823 170 HB3 SER 20 1HB SER 20 -7.580 -8.409 -1.577 171 HG SER 20 HG SER 20 -5.430 -9.234 0.089 172 H LEU 21 H LEU 21 -5.289 -6.073 -2.406 173 HA LEU 21 HA LEU 21 -6.888 -5.022 -4.406 174 HB2 LEU 21 2HB LEU 21 -4.295 -3.935 -3.228 175 HB3 LEU 21 1HB LEU 21 -5.382 -2.990 -4.234 176 HG LEU 21 HG LEU 21 -6.172 -4.185 -1.546 177 HD11 LEU 21 1HD1 LEU 21 -4.406 -2.508 -1.223 178 HD12 LEU 21 2HD1 LEU 21 -5.950 -1.933 -0.600 179 HD13 LEU 21 3HD1 LEU 21 -5.342 -1.326 -2.142 180 HD21 LEU 21 1HD2 LEU 21 -7.581 -2.163 -3.310 181 HD22 LEU 21 2HD2 LEU 21 -8.104 -2.673 -1.704 182 HD23 LEU 21 3HD2 LEU 21 -8.075 -3.835 -3.023 183 H LEU 22 H LEU 22 -3.583 -6.271 -4.548 184 HA LEU 22 HA LEU 22 -2.912 -5.379 -7.141 185 HB2 LEU 22 2HB LEU 22 -1.181 -6.228 -5.618 186 HB3 LEU 22 1HB LEU 22 -1.916 -7.827 -5.625 187 HG LEU 22 HG LEU 22 -1.398 -8.074 -8.040 188 HD11 LEU 22 1HD1 LEU 22 -1.534 -5.759 -8.736 189 HD12 LEU 22 2HD1 LEU 22 0.018 -6.444 -9.199 190 HD13 LEU 22 3HD1 LEU 22 -0.083 -5.356 -7.811 191 HD21 LEU 22 1HD2 LEU 22 1.069 -7.323 -6.447 192 HD22 LEU 22 2HD2 LEU 22 1.015 -8.343 -7.888 193 HD23 LEU 22 3HD2 LEU 22 0.246 -8.884 -6.400 194 H GLU 23 H GLU 23 -4.153 -8.528 -5.997 195 HA GLU 23 HA GLU 23 -4.423 -9.816 -8.465 196 HB2 GLU 23 2HB GLU 23 -6.188 -10.157 -6.007 197 HB3 GLU 23 1HB GLU 23 -6.033 -11.315 -7.322 198 HG2 GLU 23 2HG GLU 23 -3.901 -10.532 -5.319 199 HG3 GLU 23 1HG GLU 23 -4.738 -12.076 -5.434 200 H LEU 24 H LEU 24 -6.676 -7.794 -6.693 201 HA LEU 24 HA LEU 24 -8.925 -7.911 -8.361 202 HB2 LEU 24 2HB LEU 24 -7.949 -5.655 -6.572 203 HB3 LEU 24 1HB LEU 24 -9.572 -5.779 -7.237 204 HG LEU 24 HG LEU 24 -8.357 -7.769 -5.286 205 HD11 LEU 24 1HD1 LEU 24 -9.858 -6.745 -3.600 206 HD12 LEU 24 2HD1 LEU 24 -10.256 -5.477 -4.758 207 HD13 LEU 24 3HD1 LEU 24 -8.605 -5.648 -4.171 208 HD21 LEU 24 1HD2 LEU 24 -10.059 -8.790 -6.702 209 HD22 LEU 24 2HD2 LEU 24 -11.201 -7.508 -6.290 210 HD23 LEU 24 3HD2 LEU 24 -10.641 -8.629 -5.046 211 H ALA 25 H ALA 25 -6.181 -5.601 -8.295 212 HA ALA 25 HA ALA 25 -7.081 -3.870 -10.346 213 HB1 ALA 25 1HB ALA 25 -4.225 -4.388 -9.434 214 HB2 ALA 25 2HB ALA 25 -5.347 -3.232 -8.715 215 HB3 ALA 25 3HB ALA 25 -4.785 -2.994 -10.368 216 H GLN 26 H GLN 26 -5.061 -6.771 -10.403 217 HA GLN 26 HA GLN 26 -4.324 -6.724 -13.149 218 HB2 GLN 26 2HB GLN 26 -4.552 -9.068 -11.207 219 HB3 GLN 26 1HB GLN 26 -3.789 -9.157 -12.789 220 HG2 GLN 26 2HG GLN 26 -2.833 -7.389 -10.512 221 HG3 GLN 26 1HG GLN 26 -2.166 -8.972 -10.902 222 HE21 GLN 26 1HE2 GLN 26 -0.793 -6.403 -10.851 223 HE22 GLN 26 2HE2 GLN 26 -0.170 -6.145 -12.431 224 H ARG 27 H ARG 27 -7.153 -7.926 -11.392 225 HA ARG 27 HA ARG 27 -8.359 -9.055 -13.834 226 HB2 ARG 27 2HB ARG 27 -9.345 -9.051 -10.953 227 HB3 ARG 27 1HB ARG 27 -10.130 -9.883 -12.296 228 HG2 ARG 27 2HG ARG 27 -8.083 -11.283 -12.599 229 HG3 ARG 27 1HG ARG 27 -7.357 -10.480 -11.203 230 HD2 ARG 27 2HD ARG 27 -8.264 -12.629 -10.519 231 HD3 ARG 27 1HD ARG 27 -9.214 -11.338 -9.781 232 HE ARG 27 HE ARG 27 -11.006 -11.819 -11.249 233 HH11 ARG 27 1HH1 ARG 27 -8.366 -14.120 -11.621 234 HH12 ARG 27 2HH1 ARG 27 -9.350 -15.293 -12.440 235 HH21 ARG 27 1HH2 ARG 27 -12.253 -13.347 -12.394 236 HH22 ARG 27 2HH2 ARG 27 -11.539 -14.854 -12.876 237 H GLY 28 H GLY 28 -8.311 -6.025 -12.340 238 HA2 GLY 28 2HA GLY 28 -9.286 -4.073 -13.123 239 HA3 GLY 28 1HA GLY 28 -10.346 -5.022 -14.144 240 H GLU 29 H GLU 29 -10.180 -5.590 -10.692 241 HA GLU 29 HA GLU 29 -12.965 -4.796 -10.295 242 HB2 GLU 29 2HB GLU 29 -10.992 -6.093 -8.369 243 HB3 GLU 29 1HB GLU 29 -12.718 -5.910 -8.103 244 HG2 GLU 29 2HG GLU 29 -11.479 -7.568 -10.311 245 HG3 GLU 29 1HG GLU 29 -12.036 -8.213 -8.767 246 H TRP 30 H TRP 30 -12.161 -2.514 -10.745 247 HA TRP 30 HA TRP 30 -10.399 -1.104 -9.042 248 HB2 TRP 30 2HB TRP 30 -12.630 0.203 -10.651 249 HB3 TRP 30 1HB TRP 30 -11.057 0.878 -10.228 250 HD1 TRP 30 HD1 TRP 30 -12.778 -0.578 -13.079 251 HE1 TRP 30 HE1 TRP 30 -11.144 -1.410 -14.867 252 HE3 TRP 30 HE3 TRP 30 -8.461 -0.567 -10.325 253 HZ2 TRP 30 HZ2 TRP 30 -8.424 -1.985 -15.098 254 HZ3 TRP 30 HZ3 TRP 30 -6.381 -1.291 -11.424 255 HH2 TRP 30 HH2 TRP 30 -6.376 -1.987 -13.767 256 H ASP 31 H ASP 31 -13.771 -1.771 -8.820 257 HA ASP 31 HA ASP 31 -14.700 0.214 -7.081 258 HB2 ASP 31 2HB ASP 31 -15.616 -2.692 -7.294 259 HB3 ASP 31 1HB ASP 31 -16.552 -1.361 -6.615 260 H LEU 32 H LEU 32 -13.324 -2.996 -6.415 261 HA LEU 32 HA LEU 32 -13.549 -2.800 -3.562 262 HB2 LEU 32 2HB LEU 32 -11.914 -4.706 -5.271 263 HB3 LEU 32 1HB LEU 32 -12.171 -4.871 -3.540 264 HG LEU 32 HG LEU 32 -14.296 -5.113 -5.708 265 HD11 LEU 32 1HD1 LEU 32 -12.862 -7.068 -5.570 266 HD12 LEU 32 2HD1 LEU 32 -14.457 -7.459 -4.934 267 HD13 LEU 32 3HD1 LEU 32 -13.109 -7.175 -3.824 268 HD21 LEU 32 1HD2 LEU 32 -14.649 -5.295 -2.695 269 HD22 LEU 32 2HD2 LEU 32 -15.880 -5.678 -3.901 270 HD23 LEU 32 3HD2 LEU 32 -15.285 -4.028 -3.749 271 H LEU 33 H LEU 33 -11.096 -1.883 -5.913 272 HA LEU 33 HA LEU 33 -8.990 -1.352 -4.073 273 HB2 LEU 33 2HB LEU 33 -9.574 -0.345 -6.862 274 HB3 LEU 33 1HB LEU 33 -8.341 0.462 -5.907 275 HG LEU 33 HG LEU 33 -7.130 -1.729 -5.679 276 HD11 LEU 33 1HD1 LEU 33 -9.149 -2.752 -7.681 277 HD12 LEU 33 2HD1 LEU 33 -8.971 -3.276 -6.004 278 HD13 LEU 33 3HD1 LEU 33 -7.681 -3.588 -7.162 279 HD21 LEU 33 1HD2 LEU 33 -6.208 -1.735 -7.952 280 HD22 LEU 33 2HD2 LEU 33 -6.452 -0.093 -7.363 281 HD23 LEU 33 3HD2 LEU 33 -7.585 -0.789 -8.524 282 H LEU 34 H LEU 34 -11.655 0.667 -5.310 283 HA LEU 34 HA LEU 34 -10.919 3.043 -3.892 284 HB2 LEU 34 2HB LEU 34 -13.603 2.246 -5.106 285 HB3 LEU 34 1HB LEU 34 -13.176 3.864 -4.568 286 HG LEU 34 HG LEU 34 -11.905 2.366 -6.895 287 HD11 LEU 34 1HD1 LEU 34 -12.954 4.073 -8.318 288 HD12 LEU 34 2HD1 LEU 34 -13.739 4.784 -6.906 289 HD13 LEU 34 3HD1 LEU 34 -14.155 3.148 -7.420 290 HD21 LEU 34 1HD2 LEU 34 -10.665 4.440 -7.369 291 HD22 LEU 34 2HD2 LEU 34 -10.223 3.760 -5.805 292 HD23 LEU 34 3HD2 LEU 34 -11.294 5.160 -5.885 293 H GLN 35 H GLN 35 -12.884 0.251 -3.123 294 HA GLN 35 HA GLN 35 -14.273 1.264 -0.840 295 HB2 GLN 35 2HB GLN 35 -15.090 -0.707 -2.043 296 HB3 GLN 35 1HB GLN 35 -13.589 -1.573 -1.741 297 HG2 GLN 35 2HG GLN 35 -15.332 -2.443 -0.297 298 HG3 GLN 35 1HG GLN 35 -14.123 -1.621 0.688 299 HE21 GLN 35 1HE2 GLN 35 -14.703 0.339 1.722 300 HE22 GLN 35 2HE2 GLN 35 -16.351 0.818 1.911 301 H GLN 36 H GLN 36 -11.406 -0.749 -1.252 302 HA GLN 36 HA GLN 36 -10.800 -0.818 1.597 303 HB2 GLN 36 2HB GLN 36 -9.615 -2.235 -0.818 304 HB3 GLN 36 1HB GLN 36 -9.015 -2.457 0.827 305 HG2 GLN 36 2HG GLN 36 -11.069 -3.454 1.552 306 HG3 GLN 36 1HG GLN 36 -11.920 -2.949 0.097 307 HE21 GLN 36 1HE2 GLN 36 -9.987 -3.785 -1.818 308 HE22 GLN 36 2HE2 GLN 36 -9.987 -5.515 -1.820 309 H GLU 37 H GLU 37 -9.989 1.147 -1.024 310 HA GLU 37 HA GLU 37 -7.416 1.994 -0.763 311 HB2 GLU 37 2HB GLU 37 -8.877 2.963 -2.414 312 HB3 GLU 37 1HB GLU 37 -9.961 3.601 -1.185 313 HG2 GLU 37 2HG GLU 37 -8.178 5.186 -0.470 314 HG3 GLU 37 1HG GLU 37 -7.138 4.564 -1.745 315 H VAL 38 H VAL 38 -10.143 3.389 1.105 316 HA VAL 38 HA VAL 38 -8.704 5.114 2.729 317 HB VAL 38 HB VAL 38 -11.152 5.222 2.536 318 HG11 VAL 38 1HG1 VAL 38 -12.660 3.679 3.727 319 HG12 VAL 38 2HG1 VAL 38 -11.280 2.692 4.216 320 HG13 VAL 38 3HG1 VAL 38 -11.703 2.832 2.509 321 HG21 VAL 38 1HG2 VAL 38 -10.110 6.319 4.478 322 HG22 VAL 38 2HG2 VAL 38 -10.294 4.848 5.435 323 HG23 VAL 38 3HG2 VAL 38 -11.722 5.731 4.887 324 H SER 39 H SER 39 -9.467 1.703 3.230 325 HA SER 39 HA SER 39 -8.542 1.474 5.888 326 HB2 SER 39 2HB SER 39 -8.860 -0.671 3.750 327 HB3 SER 39 1HB SER 39 -8.771 -0.946 5.491 328 HG SER 39 HG SER 39 -10.680 0.580 5.524 329 H TYR 40 H TYR 40 -7.040 0.696 2.752 330 HA TYR 40 HA TYR 40 -4.620 -0.391 3.687 331 HB2 TYR 40 2HB TYR 40 -5.478 -0.767 1.405 332 HB3 TYR 40 1HB TYR 40 -5.268 0.940 1.021 333 HD1 TYR 40 HD1 TYR 40 -3.357 1.463 -0.253 334 HD2 TYR 40 HD2 TYR 40 -3.178 -1.929 2.328 335 HE1 TYR 40 HE1 TYR 40 -1.103 0.952 -1.084 336 HE2 TYR 40 HE2 TYR 40 -0.927 -2.429 1.498 337 HH TYR 40 HH TYR 40 0.908 -0.253 -0.375 338 H LEU 41 H LEU 41 -5.428 2.903 2.595 339 HA LEU 41 HA LEU 41 -2.824 3.999 2.863 340 HB2 LEU 41 2HB LEU 41 -5.525 5.405 2.840 341 HB3 LEU 41 1HB LEU 41 -3.971 6.212 2.686 342 HG LEU 41 HG LEU 41 -5.193 4.268 0.685 343 HD11 LEU 41 1HD1 LEU 41 -4.679 7.251 0.445 344 HD12 LEU 41 2HD1 LEU 41 -6.252 6.474 0.639 345 HD13 LEU 41 3HD1 LEU 41 -5.313 6.199 -0.826 346 HD21 LEU 41 1HD2 LEU 41 -2.775 3.938 0.725 347 HD22 LEU 41 2HD2 LEU 41 -2.503 5.672 0.548 348 HD23 LEU 41 3HD2 LEU 41 -3.249 4.755 -0.764 349 H GLN 42 H GLN 42 -5.636 3.836 5.043 350 HA GLN 42 HA GLN 42 -4.397 5.371 7.119 351 HB2 GLN 42 2HB GLN 42 -6.845 3.579 7.149 352 HB3 GLN 42 1HB GLN 42 -6.275 4.453 8.570 353 HG2 GLN 42 2HG GLN 42 -6.544 6.595 7.367 354 HG3 GLN 42 1HG GLN 42 -7.132 5.728 5.950 355 HE21 GLN 42 1HE2 GLN 42 -8.495 7.774 7.475 356 HE22 GLN 42 2HE2 GLN 42 -9.952 7.065 8.073 357 H SER 43 H SER 43 -4.357 1.947 6.273 358 HA SER 43 HA SER 43 -3.159 0.976 8.676 359 HB2 SER 43 2HB SER 43 -3.046 -0.143 5.839 360 HB3 SER 43 1HB SER 43 -2.490 -1.003 7.275 361 HG SER 43 HG SER 43 -5.118 0.005 7.162 362 H ILE 44 H ILE 44 -1.883 2.181 5.618 363 HA ILE 44 HA ILE 44 0.873 1.902 5.957 364 HB ILE 44 HB ILE 44 -0.893 3.801 4.379 365 HG12 ILE 44 2HG1 ILE 44 1.084 1.653 3.477 366 HG13 ILE 44 1HG1 ILE 44 -0.658 1.442 3.608 367 HG21 ILE 44 1HG2 ILE 44 2.126 3.983 4.427 368 HG22 ILE 44 2HG2 ILE 44 0.974 5.237 4.880 369 HG23 ILE 44 3HG2 ILE 44 1.104 4.725 3.198 370 HD11 ILE 44 1HD1 ILE 44 -0.025 1.751 1.314 371 HD12 ILE 44 2HD1 ILE 44 0.782 3.272 1.687 372 HD13 ILE 44 3HD1 ILE 44 -0.974 3.137 1.846 373 H GLU 45 H GLU 45 -1.195 4.736 6.690 374 HA GLU 45 HA GLU 45 0.965 6.305 7.697 375 HB2 GLU 45 2HB GLU 45 -0.723 7.952 8.313 376 HB3 GLU 45 1HB GLU 45 -1.067 7.322 6.704 377 HG2 GLU 45 2HG GLU 45 -2.791 5.853 7.633 378 HG3 GLU 45 1HG GLU 45 -2.446 6.440 9.255 379 H THR 46 H THR 46 -1.418 4.126 9.237 380 HA THR 46 HA THR 46 -0.821 5.046 11.898 381 HB THR 46 HB THR 46 -3.037 3.996 11.315 382 HG1 THR 46 HG1 THR 46 -2.069 4.118 13.526 383 HG21 THR 46 1HG2 THR 46 -1.491 1.382 11.439 384 HG22 THR 46 2HG2 THR 46 -2.247 2.067 10.002 385 HG23 THR 46 3HG2 THR 46 -3.247 1.544 11.357 386 H VAL 47 H VAL 47 0.530 2.438 9.831 387 HA VAL 47 HA VAL 47 2.067 1.308 12.005 388 HB VAL 47 HB VAL 47 1.469 0.056 9.829 389 HG11 VAL 47 1HG1 VAL 47 2.239 1.676 8.169 390 HG12 VAL 47 2HG1 VAL 47 3.115 0.157 7.978 391 HG13 VAL 47 3HG1 VAL 47 3.898 1.536 8.753 392 HG21 VAL 47 1HG2 VAL 47 2.958 -0.878 11.546 393 HG22 VAL 47 2HG2 VAL 47 4.344 -0.063 10.809 394 HG23 VAL 47 3HG2 VAL 47 3.497 -1.337 9.928 395 H MET 48 H MET 48 2.656 3.704 9.458 396 HA MET 48 HA MET 48 5.422 4.150 10.092 397 HB2 MET 48 2HB MET 48 4.392 4.637 7.849 398 HB3 MET 48 1HB MET 48 3.490 5.962 8.569 399 HG2 MET 48 2HG MET 48 5.562 7.156 9.047 400 HG3 MET 48 1HG MET 48 6.516 5.794 8.463 401 HE1 MET 48 1HE MET 48 4.919 4.890 5.815 402 HE2 MET 48 2HE MET 48 6.673 5.071 5.896 403 HE3 MET 48 3HE MET 48 5.762 5.855 4.604 404 H GLU 49 H GLU 49 2.387 5.247 11.365 405 HA GLU 49 HA GLU 49 3.325 7.447 12.910 406 HB2 GLU 49 2HB GLU 49 0.900 6.954 12.372 407 HB3 GLU 49 1HB GLU 49 0.958 5.611 13.506 408 HG2 GLU 49 2HG GLU 49 -0.101 7.537 14.539 409 HG3 GLU 49 1HG GLU 49 1.429 7.201 15.346 410 H LYS 50 H LYS 50 3.219 3.929 13.401 411 HA LYS 50 HA LYS 50 3.978 4.062 16.192 412 HB2 LYS 50 2HB LYS 50 4.039 1.578 14.422 413 HB3 LYS 50 1HB LYS 50 4.054 1.634 16.180 414 HG2 LYS 50 2HG LYS 50 1.764 2.166 14.301 415 HG3 LYS 50 1HG LYS 50 1.872 0.957 15.569 416 HD2 LYS 50 2HD LYS 50 1.679 3.960 16.056 417 HD3 LYS 50 1HD LYS 50 0.309 2.859 16.068 418 HE2 LYS 50 2HE LYS 50 0.848 3.196 18.342 419 HE3 LYS 50 1HE LYS 50 1.515 1.610 17.962 420 HZ1 LYS 50 1HZ LYS 50 2.997 3.053 19.290 421 HZ2 LYS 50 2HZ LYS 50 3.095 4.125 17.991 422 HZ3 LYS 50 3HZ LYS 50 3.692 2.555 17.834 423 H GLN 51 H GLN 51 5.841 5.324 16.059 424 HA GLN 51 HA GLN 51 8.221 4.521 14.682 425 HB2 GLN 51 2HB GLN 51 7.888 6.378 17.079 426 HB3 GLN 51 1HB GLN 51 9.318 6.266 16.055 427 HG2 GLN 51 2HG GLN 51 8.071 7.152 14.148 428 HG3 GLN 51 1HG GLN 51 6.578 7.141 15.091 429 HE21 GLN 51 1HE2 GLN 51 6.249 9.360 14.832 430 HE22 GLN 51 2HE2 GLN 51 7.220 10.546 15.627 431 H THR 52 H THR 52 8.956 2.540 15.170 432 HA THR 52 HA THR 52 9.201 1.578 17.932 433 HB THR 52 HB THR 52 10.094 -0.534 16.694 434 HG1 THR 52 HG1 THR 52 8.785 0.505 14.420 435 HG21 THR 52 1HG2 THR 52 7.811 -0.430 17.640 436 HG22 THR 52 2HG2 THR 52 7.828 -1.323 16.119 437 HG23 THR 52 3HG2 THR 52 7.225 0.335 16.159 438 HA PRO 53 HA PRO 53 13.525 2.632 18.457 439 HB2 PRO 53 2HB PRO 53 14.559 0.259 19.539 440 HB3 PRO 53 1HB PRO 53 13.639 1.462 20.462 441 HG2 PRO 53 2HG PRO 53 12.657 -1.073 19.186 442 HG3 PRO 53 1HG PRO 53 12.320 -0.433 20.814 443 HD2 PRO 53 2HD PRO 53 10.517 -0.136 18.882 444 HD3 PRO 53 1HD PRO 53 10.836 1.210 20.000 445 HA PRO 54 HA PRO 54 15.818 1.331 14.817 446 HB2 PRO 54 2HB PRO 54 18.334 1.621 16.447 447 HB3 PRO 54 1HB PRO 54 17.852 2.441 14.947 448 HG2 PRO 54 2HG PRO 54 17.829 3.754 17.258 449 HG3 PRO 54 1HG PRO 54 16.548 4.021 16.052 450 HD2 PRO 54 2HD PRO 54 16.455 2.350 18.564 451 HD3 PRO 54 1HD PRO 54 15.240 3.472 17.907 452 H GLY 55 H GLY 55 17.041 -0.017 17.873 453 HA2 GLY 55 2HA GLY 55 18.250 -2.358 16.749 454 HA3 GLY 55 1HA GLY 55 17.966 -2.027 18.449 455 H ILE 56 H ILE 56 16.361 -3.059 15.477 456 HA ILE 56 HA ILE 56 14.194 -4.398 16.913 457 HB ILE 56 HB ILE 56 14.785 -3.788 13.992 458 HG12 ILE 56 2HG1 ILE 56 13.639 -2.051 15.367 459 HG13 ILE 56 1HG1 ILE 56 12.620 -2.624 14.053 460 HG21 ILE 56 1HG2 ILE 56 12.596 -5.678 14.908 461 HG22 ILE 56 2HG2 ILE 56 14.003 -6.096 13.929 462 HG23 ILE 56 3HG2 ILE 56 12.770 -5.017 13.280 463 HD11 ILE 56 1HD1 ILE 56 11.373 -4.036 15.638 464 HD12 ILE 56 2HD1 ILE 56 11.332 -2.329 16.089 465 HD13 ILE 56 3HD1 ILE 56 12.391 -3.443 16.955 466 H THR 57 H THR 57 14.336 -6.451 17.501 467 HA THR 57 HA THR 57 16.508 -8.186 17.087 468 HB THR 57 HB THR 57 15.069 -8.479 19.016 469 HG1 THR 57 HG1 THR 57 15.052 -10.645 18.994 470 HG21 THR 57 1HG2 THR 57 12.752 -9.276 18.871 471 HG22 THR 57 2HG2 THR 57 12.832 -9.241 17.109 472 HG23 THR 57 3HG2 THR 57 12.924 -7.732 18.022 473 H ARG 58 H ARG 58 16.525 -10.274 16.005 474 HA ARG 58 HA ARG 58 16.200 -10.005 13.249 475 HB2 ARG 58 2HB ARG 58 16.727 -12.462 14.963 476 HB3 ARG 58 1HB ARG 58 16.727 -12.524 13.203 477 HG2 ARG 58 2HG ARG 58 18.573 -10.793 14.884 478 HG3 ARG 58 1HG ARG 58 19.008 -12.336 14.145 479 HD2 ARG 58 2HD ARG 58 18.523 -11.361 11.903 480 HD3 ARG 58 1HD ARG 58 18.189 -9.809 12.677 481 HE ARG 58 HE ARG 58 20.653 -10.233 13.548 482 HH11 ARG 58 1HH1 ARG 58 19.375 -10.648 10.288 483 HH12 ARG 58 2HH1 ARG 58 20.893 -10.293 9.524 484 HH21 ARG 58 1HH2 ARG 58 22.629 -9.743 12.511 485 HH22 ARG 58 2HH2 ARG 58 22.724 -9.783 10.782 486 H SER 59 H SER 59 14.120 -11.710 15.574 487 HA SER 59 HA SER 59 12.436 -13.079 13.823 488 HB2 SER 59 2HB SER 59 10.750 -12.938 15.719 489 HB3 SER 59 1HB SER 59 12.341 -13.539 16.186 490 HG SER 59 HG SER 59 12.646 -11.821 17.391 491 H ILE 60 H ILE 60 11.830 -9.886 15.339 492 HA ILE 60 HA ILE 60 9.529 -9.184 13.886 493 HB ILE 60 HB ILE 60 11.602 -7.311 15.126 494 HG12 ILE 60 2HG1 ILE 60 8.999 -8.366 16.322 495 HG13 ILE 60 1HG1 ILE 60 10.617 -8.888 16.780 496 HG21 ILE 60 1HG2 ILE 60 9.813 -5.595 15.169 497 HG22 ILE 60 2HG2 ILE 60 8.729 -6.699 14.323 498 HG23 ILE 60 3HG2 ILE 60 10.178 -6.099 13.517 499 HD11 ILE 60 1HD1 ILE 60 9.480 -6.116 17.145 500 HD12 ILE 60 2HD1 ILE 60 11.114 -6.623 17.582 501 HD13 ILE 60 3HD1 ILE 60 9.723 -7.333 18.397 502 H GLN 61 H GLN 61 12.980 -8.519 13.296 503 HA GLN 61 HA GLN 61 12.710 -6.713 11.181 504 HB2 GLN 61 2HB GLN 61 14.834 -6.979 12.386 505 HB3 GLN 61 1HB GLN 61 15.034 -8.608 11.744 506 HG2 GLN 61 2HG GLN 61 15.350 -7.767 9.504 507 HG3 GLN 61 1HG GLN 61 14.896 -6.136 9.983 508 HE21 GLN 61 1HE2 GLN 61 17.425 -8.551 10.087 509 HE22 GLN 61 2HE2 GLN 61 18.692 -7.488 10.583 510 H ASP 62 H ASP 62 12.973 -10.272 11.105 511 HA ASP 62 HA ASP 62 13.049 -10.428 8.230 512 HB2 ASP 62 2HB ASP 62 12.704 -12.522 10.405 513 HB3 ASP 62 1HB ASP 62 12.570 -12.944 8.701 514 H MET 63 H MET 63 10.483 -10.925 10.682 515 HA MET 63 HA MET 63 8.466 -11.782 8.869 516 HB2 MET 63 2HB MET 63 8.197 -10.456 11.598 517 HB3 MET 63 1HB MET 63 6.848 -11.147 10.704 518 HG2 MET 63 2HG MET 63 7.947 -13.365 10.795 519 HG3 MET 63 1HG MET 63 9.257 -12.656 11.737 520 HE1 MET 63 1HE MET 63 8.929 -11.707 14.268 521 HE2 MET 63 2HE MET 63 7.359 -11.651 15.063 522 HE3 MET 63 3HE MET 63 7.676 -10.615 13.673 523 H VAL 64 H VAL 64 9.004 -8.609 10.382 524 HA VAL 64 HA VAL 64 7.132 -7.108 8.962 525 HB VAL 64 HB VAL 64 9.713 -6.328 10.381 526 HG11 VAL 64 1HG1 VAL 64 9.023 -3.945 10.246 527 HG12 VAL 64 2HG1 VAL 64 7.746 -4.392 9.112 528 HG13 VAL 64 3HG1 VAL 64 9.437 -4.618 8.669 529 HG21 VAL 64 1HG2 VAL 64 8.159 -5.388 12.066 530 HG22 VAL 64 2HG2 VAL 64 7.862 -7.106 11.799 531 HG23 VAL 64 3HG2 VAL 64 6.781 -5.905 11.087 532 H ALA 65 H ALA 65 10.596 -7.757 8.172 533 HA ALA 65 HA ALA 65 10.721 -6.192 5.811 534 HB1 ALA 65 1HB ALA 65 12.276 -8.740 6.395 535 HB2 ALA 65 2HB ALA 65 12.746 -7.108 6.872 536 HB3 ALA 65 3HB ALA 65 12.672 -7.532 5.163 537 H GLY 66 H GLY 66 9.588 -9.478 6.395 538 HA2 GLY 66 2HA GLY 66 9.207 -10.368 3.745 539 HA3 GLY 66 1HA GLY 66 8.313 -10.927 5.158 540 H TYR 67 H TYR 67 7.002 -8.752 6.014 541 HA TYR 67 HA TYR 67 4.813 -8.491 4.215 542 HB2 TYR 67 2HB TYR 67 5.422 -6.892 6.733 543 HB3 TYR 67 1HB TYR 67 3.860 -6.977 5.920 544 HD1 TYR 67 HD1 TYR 67 5.094 -7.911 8.845 545 HD2 TYR 67 HD2 TYR 67 3.564 -9.868 5.364 546 HE1 TYR 67 HE1 TYR 67 4.491 -9.868 10.203 547 HE2 TYR 67 HE2 TYR 67 2.966 -11.820 6.727 548 HH TYR 67 HH TYR 67 2.890 -11.778 10.092 549 H ILE 68 H ILE 68 7.618 -6.540 4.902 550 HA ILE 68 HA ILE 68 6.801 -4.066 3.770 551 HB ILE 68 HB ILE 68 9.460 -5.253 4.621 552 HG12 ILE 68 2HG1 ILE 68 7.948 -2.728 5.438 553 HG13 ILE 68 1HG1 ILE 68 8.018 -4.231 6.345 554 HG21 ILE 68 1HG2 ILE 68 10.110 -4.127 2.562 555 HG22 ILE 68 2HG2 ILE 68 10.702 -3.216 3.949 556 HG23 ILE 68 3HG2 ILE 68 9.281 -2.653 3.069 557 HD11 ILE 68 1HD1 ILE 68 10.315 -2.340 5.834 558 HD12 ILE 68 2HD1 ILE 68 10.432 -3.874 6.701 559 HD13 ILE 68 3HD1 ILE 68 9.440 -2.568 7.348 560 H LYS 69 H LYS 69 8.991 -6.621 2.493 561 HA LYS 69 HA LYS 69 9.207 -5.468 -0.088 562 HB2 LYS 69 2HB LYS 69 9.799 -8.277 0.912 563 HB3 LYS 69 1HB LYS 69 10.140 -7.748 -0.732 564 HG2 LYS 69 2HG LYS 69 11.321 -6.501 1.771 565 HG3 LYS 69 1HG LYS 69 12.138 -7.674 0.731 566 HD2 LYS 69 2HD LYS 69 11.981 -6.081 -1.171 567 HD3 LYS 69 1HD LYS 69 11.188 -4.907 -0.119 568 HE2 LYS 69 2HE LYS 69 13.214 -4.755 1.263 569 HE3 LYS 69 1HE LYS 69 14.003 -5.980 0.264 570 HZ1 LYS 69 1HZ LYS 69 13.895 -4.502 -1.622 571 HZ2 LYS 69 2HZ LYS 69 14.651 -3.710 -0.336 572 HZ3 LYS 69 3HZ LYS 69 13.049 -3.343 -0.727 573 H GLN 70 H GLN 70 7.002 -7.868 1.318 574 HA GLN 70 HA GLN 70 5.700 -8.710 -1.026 575 HB2 GLN 70 2HB GLN 70 5.358 -9.824 1.157 576 HB3 GLN 70 1HB GLN 70 4.529 -8.397 1.776 577 HG2 GLN 70 2HG GLN 70 2.731 -8.715 0.113 578 HG3 GLN 70 1HG GLN 70 3.557 -10.135 -0.522 579 HE21 GLN 70 1HE2 GLN 70 0.875 -9.845 0.670 580 HE22 GLN 70 2HE2 GLN 70 0.823 -10.984 1.967 581 H THR 71 H THR 71 4.841 -6.042 1.239 582 HA THR 71 HA THR 71 2.580 -5.252 -0.300 583 HB THR 71 HB THR 71 2.712 -4.792 2.151 584 HG1 THR 71 HG1 THR 71 2.308 -2.461 0.546 585 HG21 THR 71 1HG2 THR 71 4.567 -2.504 1.387 586 HG22 THR 71 2HG2 THR 71 5.026 -3.914 2.344 587 HG23 THR 71 3HG2 THR 71 3.842 -2.765 2.976 588 H LEU 72 H LEU 72 5.947 -4.129 -0.210 589 HA LEU 72 HA LEU 72 5.565 -1.796 -1.803 590 HB2 LEU 72 2HB LEU 72 8.047 -3.435 -1.167 591 HB3 LEU 72 1HB LEU 72 8.111 -2.004 -2.185 592 HG LEU 72 HG LEU 72 7.246 -2.044 0.737 593 HD11 LEU 72 1HD1 LEU 72 9.335 -0.817 1.177 594 HD12 LEU 72 2HD1 LEU 72 9.808 -0.990 -0.516 595 HD13 LEU 72 3HD1 LEU 72 9.650 -2.417 0.510 596 HD21 LEU 72 1HD2 LEU 72 7.273 0.434 0.561 597 HD22 LEU 72 2HD2 LEU 72 6.036 -0.307 -0.451 598 HD23 LEU 72 3HD2 LEU 72 7.528 0.294 -1.181 599 H ASP 73 H ASP 73 6.325 -5.167 -2.591 600 HA ASP 73 HA ASP 73 6.800 -4.734 -5.397 601 HB2 ASP 73 2HB ASP 73 7.744 -6.707 -4.336 602 HB3 ASP 73 1HB ASP 73 6.157 -7.256 -3.810 603 H ASN 74 H ASN 74 4.039 -5.978 -3.533 604 HA ASN 74 HA ASN 74 2.179 -6.324 -5.592 605 HB2 ASN 74 2HB ASN 74 1.760 -5.622 -2.660 606 HB3 ASN 74 1HB ASN 74 0.434 -6.016 -3.747 607 HD21 ASN 74 1HD2 ASN 74 1.391 -7.350 -1.294 608 HD22 ASN 74 2HD2 ASN 74 1.685 -8.989 -1.749 609 H GLU 75 H GLU 75 2.962 -3.512 -3.609 610 HA GLU 75 HA GLU 75 0.986 -1.757 -4.669 611 HB2 GLU 75 2HB GLU 75 2.003 -1.423 -2.443 612 HB3 GLU 75 1HB GLU 75 3.575 -1.133 -3.182 613 HG2 GLU 75 2HG GLU 75 2.645 0.874 -4.302 614 HG3 GLU 75 1HG GLU 75 1.103 0.591 -3.496 615 H GLN 76 H GLN 76 4.366 -2.462 -5.483 616 HA GLN 76 HA GLN 76 4.908 -0.384 -7.300 617 HB2 GLN 76 2HB GLN 76 6.674 -1.874 -6.516 618 HB3 GLN 76 1HB GLN 76 5.889 -3.269 -7.249 619 HG2 GLN 76 2HG GLN 76 6.326 -2.322 -9.496 620 HG3 GLN 76 1HG GLN 76 7.135 -0.943 -8.751 621 HE21 GLN 76 1HE2 GLN 76 7.344 -4.360 -9.434 622 HE22 GLN 76 2HE2 GLN 76 9.027 -4.525 -9.089 623 H LEU 77 H LEU 77 3.635 -3.649 -7.866 624 HA LEU 77 HA LEU 77 3.078 -3.350 -10.638 625 HB2 LEU 77 2HB LEU 77 2.011 -5.278 -8.554 626 HB3 LEU 77 1HB LEU 77 1.666 -5.425 -10.269 627 HG LEU 77 HG LEU 77 4.461 -5.578 -9.065 628 HD11 LEU 77 1HD1 LEU 77 4.334 -8.002 -9.470 629 HD12 LEU 77 2HD1 LEU 77 2.656 -7.842 -9.994 630 HD13 LEU 77 3HD1 LEU 77 3.100 -7.482 -8.324 631 HD21 LEU 77 1HD2 LEU 77 4.489 -4.793 -11.376 632 HD22 LEU 77 2HD2 LEU 77 3.457 -6.135 -11.879 633 HD23 LEU 77 3HD2 LEU 77 5.098 -6.447 -11.302 634 H LEU 78 H LEU 78 1.154 -2.839 -7.690 635 HA LEU 78 HA LEU 78 -1.370 -2.339 -8.771 636 HB2 LEU 78 2HB LEU 78 0.027 -1.563 -6.236 637 HB3 LEU 78 1HB LEU 78 -1.340 -0.554 -6.650 638 HG LEU 78 HG LEU 78 -1.523 -3.579 -6.366 639 HD11 LEU 78 1HD1 LEU 78 -2.314 -1.461 -4.329 640 HD12 LEU 78 2HD1 LEU 78 -0.924 -2.542 -4.203 641 HD13 LEU 78 3HD1 LEU 78 -2.553 -3.210 -4.185 642 HD21 LEU 78 1HD2 LEU 78 -3.658 -1.423 -6.604 643 HD22 LEU 78 2HD2 LEU 78 -3.957 -3.138 -6.310 644 HD23 LEU 78 3HD2 LEU 78 -3.231 -2.623 -7.829 645 H LYS 79 H LYS 79 1.077 0.146 -7.900 646 HA LYS 79 HA LYS 79 -0.471 2.242 -9.072 647 HB2 LYS 79 2HB LYS 79 1.403 3.740 -8.426 648 HB3 LYS 79 1HB LYS 79 0.799 2.756 -7.107 649 HG2 LYS 79 2HG LYS 79 2.775 1.187 -7.575 650 HG3 LYS 79 1HG LYS 79 3.424 2.488 -8.576 651 HD2 LYS 79 2HD LYS 79 3.676 3.954 -6.727 652 HD3 LYS 79 1HD LYS 79 2.567 3.023 -5.717 653 HE2 LYS 79 2HE LYS 79 4.250 1.171 -5.653 654 HE3 LYS 79 1HE LYS 79 5.371 2.209 -6.547 655 HZ1 LYS 79 1HZ LYS 79 5.319 3.792 -4.741 656 HZ2 LYS 79 2HZ LYS 79 5.733 2.268 -4.150 657 HZ3 LYS 79 3HZ LYS 79 4.177 2.865 -3.902 658 H GLY 80 H GLY 80 2.094 0.200 -10.275 659 HA2 GLY 80 2HA GLY 80 2.804 1.766 -12.558 660 HA3 GLY 80 1HA GLY 80 3.003 0.026 -12.388 661 H LEU 81 H LEU 81 0.564 -0.944 -12.102 662 HA LEU 81 HA LEU 81 -0.560 -0.948 -14.703 663 HB2 LEU 81 2HB LEU 81 -0.553 -2.902 -13.295 664 HB3 LEU 81 1HB LEU 81 -1.481 -2.106 -12.044 665 HG LEU 81 HG LEU 81 -2.774 -2.484 -14.763 666 HD11 LEU 81 1HD1 LEU 81 -1.805 -4.688 -14.285 667 HD12 LEU 81 2HD1 LEU 81 -3.561 -4.723 -14.158 668 HD13 LEU 81 3HD1 LEU 81 -2.573 -4.699 -12.693 669 HD21 LEU 81 1HD2 LEU 81 -3.991 -1.213 -13.052 670 HD22 LEU 81 2HD2 LEU 81 -3.874 -2.570 -11.929 671 HD23 LEU 81 3HD2 LEU 81 -4.821 -2.725 -13.410 672 H LEU 82 H LEU 82 -1.485 0.638 -11.698 673 HA LEU 82 HA LEU 82 -4.014 1.649 -12.593 674 HB2 LEU 82 2HB LEU 82 -2.271 2.137 -10.171 675 HB3 LEU 82 1HB LEU 82 -3.683 3.142 -10.450 676 HG LEU 82 HG LEU 82 -3.897 0.108 -10.291 677 HD11 LEU 82 1HD1 LEU 82 -2.906 0.882 -8.188 678 HD12 LEU 82 2HD1 LEU 82 -4.565 0.350 -7.939 679 HD13 LEU 82 3HD1 LEU 82 -4.192 2.077 -7.995 680 HD21 LEU 82 1HD2 LEU 82 -6.254 0.599 -9.785 681 HD22 LEU 82 2HD2 LEU 82 -5.781 1.264 -11.345 682 HD23 LEU 82 3HD2 LEU 82 -5.940 2.331 -9.945 683 H GLN 83 H GLN 83 -0.701 2.855 -12.542 684 HA GLN 83 HA GLN 83 -1.259 5.515 -13.365 685 HB2 GLN 83 2HB GLN 83 0.965 4.620 -12.498 686 HB3 GLN 83 1HB GLN 83 1.228 3.875 -14.066 687 HG2 GLN 83 2HG GLN 83 0.844 6.862 -13.689 688 HG3 GLN 83 1HG GLN 83 2.418 6.081 -13.630 689 HE21 GLN 83 1HE2 GLN 83 1.775 4.197 -15.817 690 HE22 GLN 83 2HE2 GLN 83 1.804 5.141 -17.256 691 H GLN 84 H GLN 84 -0.529 2.505 -15.184 692 HA GLN 84 HA GLN 84 -0.842 3.607 -17.797 693 HB2 GLN 84 2HB GLN 84 -1.079 0.720 -16.862 694 HB3 GLN 84 1HB GLN 84 -1.003 1.220 -18.549 695 HG2 GLN 84 2HG GLN 84 1.254 2.138 -18.176 696 HG3 GLN 84 1HG GLN 84 1.186 1.627 -16.491 697 HE21 GLN 84 1HE2 GLN 84 3.105 0.864 -18.524 698 HE22 GLN 84 2HE2 GLN 84 3.025 -0.857 -18.654 699 H ARG 85 H ARG 85 -3.104 2.266 -15.475 700 HA ARG 85 HA ARG 85 -5.329 1.933 -17.206 701 HB2 ARG 85 2HB ARG 85 -5.263 0.825 -15.002 702 HB3 ARG 85 1HB ARG 85 -5.246 2.384 -14.183 703 HG2 ARG 85 2HG ARG 85 -7.476 1.308 -14.107 704 HG3 ARG 85 1HG ARG 85 -7.518 2.861 -14.943 705 HD2 ARG 85 2HD ARG 85 -7.511 1.697 -17.121 706 HD3 ARG 85 1HD ARG 85 -7.438 0.137 -16.293 707 HE ARG 85 HE ARG 85 -9.693 1.761 -15.518 708 HH11 ARG 85 1HH1 ARG 85 -8.555 -0.583 -17.883 709 HH12 ARG 85 2HH1 ARG 85 -10.148 -1.113 -18.310 710 HH21 ARG 85 1HH2 ARG 85 -11.784 1.057 -16.094 711 HH22 ARG 85 2HH2 ARG 85 -11.981 -0.179 -17.294 712 H LEU 86 H LEU 86 -4.501 4.532 -14.862 713 HA LEU 86 HA LEU 86 -6.575 6.312 -15.628 714 HB2 LEU 86 2HB LEU 86 -3.931 6.840 -14.221 715 HB3 LEU 86 1HB LEU 86 -5.206 8.038 -14.384 716 HG LEU 86 HG LEU 86 -5.492 5.400 -12.883 717 HD11 LEU 86 1HD1 LEU 86 -3.916 6.928 -11.762 718 HD12 LEU 86 2HD1 LEU 86 -5.383 6.687 -10.826 719 HD13 LEU 86 3HD1 LEU 86 -5.154 8.190 -11.727 720 HD21 LEU 86 1HD2 LEU 86 -7.606 6.342 -12.027 721 HD22 LEU 86 2HD2 LEU 86 -7.636 6.158 -13.777 722 HD23 LEU 86 3HD2 LEU 86 -7.404 7.757 -13.065 723 H ASP 87 H ASP 87 -3.377 5.747 -16.890 724 HA ASP 87 HA ASP 87 -2.993 8.002 -18.544 725 HB2 ASP 87 2HB ASP 87 -1.146 6.523 -18.121 726 HB3 ASP 87 1HB ASP 87 -2.031 5.107 -18.656 727 H GLU 88 H GLU 88 -4.311 4.769 -19.267 728 HA GLU 88 HA GLU 88 -5.243 5.186 -21.874 729 HB2 GLU 88 2HB GLU 88 -5.043 2.947 -20.936 730 HB3 GLU 88 1HB GLU 88 -6.211 3.316 -19.672 731 HG2 GLU 88 2HG GLU 88 -7.971 3.568 -21.466 732 HG3 GLU 88 1HG GLU 88 -6.771 3.031 -22.641 733 H LEU 89 H LEU 89 -7.013 5.358 -18.792 734 HA LEU 89 HA LEU 89 -9.547 6.004 -19.704 735 HB2 LEU 89 2HB LEU 89 -8.240 6.747 -17.055 736 HB3 LEU 89 1HB LEU 89 -9.963 6.859 -17.378 737 HG LEU 89 HG LEU 89 -8.337 4.289 -17.309 738 HD11 LEU 89 1HD1 LEU 89 -9.610 3.771 -15.269 739 HD12 LEU 89 2HD1 LEU 89 -10.375 5.361 -15.336 740 HD13 LEU 89 3HD1 LEU 89 -8.633 5.227 -15.083 741 HD21 LEU 89 1HD2 LEU 89 -10.475 3.106 -17.529 742 HD22 LEU 89 2HD2 LEU 89 -10.143 4.105 -18.942 743 HD23 LEU 89 3HD2 LEU 89 -11.315 4.646 -17.737 744 H SER 90 H SER 90 -6.897 8.193 -18.733 745 HA SER 90 HA SER 90 -8.397 10.612 -19.070 746 HB2 SER 90 2HB SER 90 -6.219 11.757 -18.861 747 HB3 SER 90 1HB SER 90 -6.399 10.519 -17.622 748 HG SER 90 HG SER 90 -4.780 9.464 -18.443 749 H SER 91 H SER 91 -6.307 8.654 -21.152 750 HA SER 91 HA SER 91 -6.330 10.371 -23.419 751 HB2 SER 91 2HB SER 91 -4.697 8.542 -23.171 752 HB3 SER 91 1HB SER 91 -5.989 7.347 -23.274 753 HG SER 91 HG SER 91 -6.379 8.037 -25.401 754 H LEU 92 H LEU 92 -8.641 7.974 -22.206 755 HA LEU 92 HA LEU 92 -10.252 7.783 -24.577 756 HB2 LEU 92 2HB LEU 92 -11.028 7.151 -21.690 757 HB3 LEU 92 1HB LEU 92 -11.919 6.659 -23.122 758 HG LEU 92 HG LEU 92 -9.194 5.654 -22.244 759 HD11 LEU 92 1HD1 LEU 92 -11.017 4.701 -20.950 760 HD12 LEU 92 2HD1 LEU 92 -10.283 3.480 -21.985 761 HD13 LEU 92 3HD1 LEU 92 -11.835 4.195 -22.431 762 HD21 LEU 92 1HD2 LEU 92 -9.245 4.133 -24.165 763 HD22 LEU 92 2HD2 LEU 92 -9.178 5.822 -24.656 764 HD23 LEU 92 3HD2 LEU 92 -10.702 4.936 -24.762 765 H ILE 93 H ILE 93 -10.500 9.580 -21.535 766 HA ILE 93 HA ILE 93 -12.972 10.898 -22.076 767 HB ILE 93 HB ILE 93 -10.763 11.562 -20.057 768 HG12 ILE 93 2HG1 ILE 93 -13.390 10.054 -19.628 769 HG13 ILE 93 1HG1 ILE 93 -11.827 9.276 -19.836 770 HG21 ILE 93 1HG2 ILE 93 -13.639 12.573 -20.126 771 HG22 ILE 93 2HG2 ILE 93 -12.194 13.538 -20.426 772 HG23 ILE 93 3HG2 ILE 93 -12.482 12.864 -18.822 773 HD11 ILE 93 1HD1 ILE 93 -12.485 9.351 -17.512 774 HD12 ILE 93 2HD1 ILE 93 -12.589 11.110 -17.568 775 HD13 ILE 93 3HD1 ILE 93 -11.029 10.308 -17.780 776 H GLY 94 H GLY 94 -9.555 11.810 -22.374 777 HA2 GLY 94 2HA GLY 94 -10.194 13.813 -24.405 778 HA3 GLY 94 1HA GLY 94 -9.386 14.397 -22.952 779 H GLN 95 H GLN 95 -7.253 13.854 -22.566 780 HA GLN 95 HA GLN 95 -5.776 11.975 -24.145 781 HB2 GLN 95 2HB GLN 95 -4.174 13.535 -25.167 782 HB3 GLN 95 1HB GLN 95 -5.791 13.836 -25.770 783 HG2 GLN 95 2HG GLN 95 -4.418 15.507 -23.654 784 HG3 GLN 95 1HG GLN 95 -4.447 15.895 -25.368 785 HE21 GLN 95 1HE2 GLN 95 -6.457 16.496 -26.324 786 HE22 GLN 95 2HE2 GLN 95 -7.751 17.112 -25.360 787 H VAL 96 H VAL 96 -3.890 11.391 -23.122 788 HA VAL 96 HA VAL 96 -3.484 12.369 -20.406 789 HB VAL 96 HB VAL 96 -3.432 9.960 -20.715 790 HG11 VAL 96 1HG1 VAL 96 -1.693 8.782 -22.013 791 HG12 VAL 96 2HG1 VAL 96 -1.087 10.331 -22.608 792 HG13 VAL 96 3HG1 VAL 96 -2.711 9.794 -23.040 793 HG21 VAL 96 1HG2 VAL 96 -0.654 11.008 -20.037 794 HG22 VAL 96 2HG2 VAL 96 -1.286 9.420 -19.593 795 HG23 VAL 96 3HG2 VAL 96 -2.021 10.880 -18.927 796 H LEU 97 H LEU 97 -1.933 13.756 -19.804 797 HA LEU 97 HA LEU 97 -0.201 14.990 -21.740 798 HB2 LEU 97 2HB LEU 97 -1.385 16.251 -19.907 799 HB3 LEU 97 1HB LEU 97 -0.340 15.462 -18.736 800 HG LEU 97 HG LEU 97 1.636 16.574 -19.688 801 HD11 LEU 97 1HD1 LEU 97 1.000 16.671 -22.043 802 HD12 LEU 97 2HD1 LEU 97 1.462 18.267 -21.461 803 HD13 LEU 97 3HD1 LEU 97 -0.246 17.874 -21.684 804 HD21 LEU 97 1HD2 LEU 97 1.131 18.892 -19.051 805 HD22 LEU 97 2HD2 LEU 97 0.398 17.752 -17.927 806 HD23 LEU 97 3HD2 LEU 97 -0.601 18.554 -19.141 807 H PHE 98 H PHE 98 1.038 13.233 -22.349 808 HA PHE 98 HA PHE 98 2.729 11.617 -20.838 809 HB2 PHE 98 2HB PHE 98 3.985 11.283 -22.981 810 HB3 PHE 98 1HB PHE 98 2.246 11.145 -23.187 811 HD1 PHE 98 HD1 PHE 98 5.232 12.838 -24.325 812 HD2 PHE 98 HD2 PHE 98 0.967 13.166 -24.173 813 HE1 PHE 98 HE1 PHE 98 5.290 14.550 -26.095 814 HE2 PHE 98 HE2 PHE 98 1.039 14.870 -25.944 815 HZ PHE 98 HZ PHE 98 3.194 15.569 -26.896 816 H GLN 99 H GLN 99 3.324 14.835 -22.203 817 HA GLN 99 HA GLN 99 6.032 14.984 -21.167 818 HB2 GLN 99 2HB GLN 99 6.021 17.287 -22.179 819 HB3 GLN 99 1HB GLN 99 5.684 15.994 -23.320 820 HG2 GLN 99 2HG GLN 99 3.285 16.545 -23.272 821 HG3 GLN 99 1HG GLN 99 3.599 17.811 -22.082 822 HE21 GLN 99 1HE2 GLN 99 2.789 19.451 -23.417 823 HE22 GLN 99 2HE2 GLN 99 3.618 19.996 -24.833 824 H GLY 100 H GLY 100 6.078 15.059 -19.017 825 HA2 GLY 100 2HA GLY 100 5.931 15.958 -16.888 826 HA3 GLY 100 1HA GLY 100 4.932 17.259 -17.516 827 HA PRO 101 HA PRO 101 1.845 13.591 -16.810 828 HB2 PRO 101 2HB PRO 101 2.725 11.247 -15.707 829 HB3 PRO 101 1HB PRO 101 2.825 11.573 -17.449 830 HG2 PRO 101 2HG PRO 101 4.980 11.745 -15.374 831 HG3 PRO 101 1HG PRO 101 5.063 11.119 -17.037 832 HD2 PRO 101 2HD PRO 101 5.935 13.633 -16.312 833 HD3 PRO 101 1HD PRO 101 5.380 13.214 -17.949 834 H SER 102 H SER 102 0.733 14.540 -15.227 835 HA SER 102 HA SER 102 1.423 14.197 -12.392 836 HB2 SER 102 2HB SER 102 0.966 16.710 -12.060 837 HB3 SER 102 1HB SER 102 2.483 16.319 -12.870 838 HG SER 102 HG SER 102 1.416 16.732 -14.870 839 H ALA 103 H ALA 103 -0.449 15.076 -10.994 840 HA ALA 103 HA ALA 103 -2.888 13.849 -11.956 841 HB1 ALA 103 1HB ALA 103 -2.133 13.471 -9.647 842 HB2 ALA 103 2HB ALA 103 -3.736 14.206 -9.679 843 HB3 ALA 103 3HB ALA 103 -2.320 15.188 -9.290 844 H GLY 104 H GLY 104 -3.113 15.383 -13.688 845 HA2 GLY 104 2HA GLY 104 -5.191 17.317 -13.070 846 HA3 GLY 104 1HA GLY 104 -3.750 17.981 -13.846 847 H LEU 105 H LEU 105 -4.607 14.729 -14.497 848 HA LEU 105 HA LEU 105 -4.801 15.133 -17.322 849 HB2 LEU 105 2HB LEU 105 -5.393 12.636 -15.672 850 HB3 LEU 105 1HB LEU 105 -5.111 12.690 -17.403 851 HG LEU 105 HG LEU 105 -3.041 13.270 -15.245 852 HD11 LEU 105 1HD1 LEU 105 -3.581 10.886 -15.403 853 HD12 LEU 105 2HD1 LEU 105 -1.958 11.192 -16.014 854 HD13 LEU 105 3HD1 LEU 105 -3.284 10.908 -17.145 855 HD21 LEU 105 1HD2 LEU 105 -1.398 13.394 -17.087 856 HD22 LEU 105 2HD2 LEU 105 -2.607 14.672 -17.192 857 HD23 LEU 105 3HD2 LEU 105 -2.715 13.269 -18.258 858 H VAL 106 H VAL 106 -7.061 14.096 -14.767 859 HA VAL 106 HA VAL 106 -9.313 15.317 -16.230 860 HB VAL 106 HB VAL 106 -9.546 12.616 -14.795 861 HG11 VAL 106 1HG1 VAL 106 -11.861 12.550 -15.682 862 HG12 VAL 106 2HG1 VAL 106 -11.646 14.159 -16.375 863 HG13 VAL 106 3HG1 VAL 106 -11.611 13.941 -14.624 864 HG21 VAL 106 1HG2 VAL 106 -8.338 12.342 -16.933 865 HG22 VAL 106 2HG2 VAL 106 -9.662 13.127 -17.794 866 HG23 VAL 106 3HG2 VAL 106 -9.927 11.578 -16.992 867 HA PRO 107 HA PRO 107 -9.360 16.836 -11.823 868 HB2 PRO 107 2HB PRO 107 -9.591 19.488 -12.369 869 HB3 PRO 107 1HB PRO 107 -8.016 18.671 -12.432 870 HG2 PRO 107 2HG PRO 107 -9.855 19.368 -14.707 871 HG3 PRO 107 1HG PRO 107 -8.097 19.610 -14.574 872 HD2 PRO 107 2HD PRO 107 -9.192 17.485 -15.908 873 HD3 PRO 107 1HD PRO 107 -7.614 17.398 -15.092 874 H ARG 108 H ARG 108 -11.295 17.260 -14.672 875 HA ARG 108 HA ARG 108 -13.764 16.870 -13.318 876 HB2 ARG 108 2HB ARG 108 -14.863 18.974 -14.171 877 HB3 ARG 108 1HB ARG 108 -13.678 19.253 -12.902 878 HG2 ARG 108 2HG ARG 108 -12.020 19.960 -14.605 879 HG3 ARG 108 1HG ARG 108 -13.217 19.690 -15.875 880 HD2 ARG 108 2HD ARG 108 -13.494 21.693 -13.608 881 HD3 ARG 108 1HD ARG 108 -12.994 22.076 -15.255 882 HE ARG 108 HE ARG 108 -15.558 20.740 -15.061 883 HH11 ARG 108 1HH1 ARG 108 -13.949 23.875 -15.138 884 HH12 ARG 108 2HH1 ARG 108 -15.370 24.729 -15.640 885 HH21 ARG 108 1HH2 ARG 108 -17.421 21.877 -15.682 886 HH22 ARG 108 2HH2 ARG 108 -17.345 23.590 -15.949 887 H GLY 109 H GLY 109 -14.767 15.485 -14.597 888 HA2 GLY 109 2HA GLY 109 -14.784 15.864 -17.550 889 HA3 GLY 109 1HA GLY 109 -14.748 14.283 -16.773 890 H SER 110 H SER 110 -16.587 15.716 -14.690 891 HA SER 110 HA SER 110 -18.734 15.777 -14.092 892 HB2 SER 110 2HB SER 110 -19.374 16.109 -17.053 893 HB3 SER 110 1HB SER 110 -20.488 16.395 -15.713 894 HG SER 110 HG SER 110 -18.864 18.118 -16.790 895 H GLY 111 H GLY 111 -19.006 13.789 -13.232 896 HA2 GLY 111 2HA GLY 111 -20.904 12.022 -14.028 897 HA3 GLY 111 1HA GLY 111 -19.449 11.389 -14.797 898 H GLY 112 H GLY 112 -19.945 9.489 -13.397 899 HA2 GLY 112 2HA GLY 112 -19.288 9.603 -10.578 900 HA3 GLY 112 1HA GLY 112 -19.454 8.157 -11.565 901 H ILE 113 H ILE 113 -17.482 9.557 -13.492 902 HA ILE 113 HA ILE 113 -15.092 8.265 -12.699 903 HB ILE 113 HB ILE 113 -14.003 9.550 -14.588 904 HG12 ILE 113 2HG1 ILE 113 -16.791 10.755 -14.971 905 HG13 ILE 113 1HG1 ILE 113 -15.386 11.631 -14.382 906 HG21 ILE 113 1HG2 ILE 113 -15.256 8.445 -16.395 907 HG22 ILE 113 2HG2 ILE 113 -16.614 8.167 -15.304 908 HG23 ILE 113 3HG2 ILE 113 -15.065 7.374 -15.006 909 HD11 ILE 113 1HD1 ILE 113 -15.704 10.436 -17.133 910 HD12 ILE 113 2HD1 ILE 113 -14.274 11.286 -16.539 911 HD13 ILE 113 3HD1 ILE 113 -15.805 12.142 -16.695 912 H GLU 114 H GLU 114 -16.330 11.381 -11.832 913 HA GLU 114 HA GLU 114 -14.025 12.854 -11.274 914 HB2 GLU 114 2HB GLU 114 -16.543 12.886 -9.543 915 HB3 GLU 114 1HB GLU 114 -15.375 14.187 -9.742 916 HG2 GLU 114 2HG GLU 114 -17.395 13.189 -11.748 917 HG3 GLU 114 1HG GLU 114 -17.323 14.770 -10.983 918 H GLY 115 H GLY 115 -15.914 10.726 -9.146 919 HA2 GLY 115 2HA GLY 115 -14.304 10.804 -6.860 920 HA3 GLY 115 1HA GLY 115 -15.412 9.506 -7.288 921 H MET1001 H MET 1 -14.290 8.528 -9.610 922 HA MET1001 HA MET 1 -12.399 6.707 -8.605 923 HB2 MET1001 2HB MET 1 -13.868 6.161 -10.502 924 HB3 MET1001 1HB MET 1 -13.074 7.370 -11.499 925 HG2 MET1001 2HG MET 1 -10.945 6.053 -11.296 926 HG3 MET1001 1HG MET 1 -11.853 4.806 -10.441 927 HE1 MET1001 1HE MET 1 -11.475 6.786 -13.838 928 HE2 MET1001 2HE MET 1 -13.189 6.984 -13.460 929 HE3 MET1001 3HE MET 1 -12.698 5.989 -14.829 930 H THR1002 H THR 2 -11.930 9.492 -10.825 931 HA THR1002 HA THR 2 -9.150 9.067 -11.229 932 HB THR1002 HB THR 2 -9.157 11.430 -12.152 933 HG1 THR1002 HG1 THR 2 -11.912 11.592 -12.138 934 HG21 THR1002 1HG2 THR 2 -11.338 9.592 -13.226 935 HG22 THR1002 2HG2 THR 2 -9.620 9.500 -13.627 936 HG23 THR1002 3HG2 THR 2 -10.565 10.907 -14.112 937 H THR1003 H THR 3 -10.915 11.465 -9.226 938 HA THR1003 HA THR 3 -8.798 12.741 -7.992 939 HB THR1003 HB THR 3 -11.552 12.085 -6.868 940 HG1 THR1003 HG1 THR 3 -12.110 13.558 -8.273 941 HG21 THR1003 1HG2 THR 3 -9.573 14.194 -5.913 942 HG22 THR1003 2HG2 THR 3 -10.053 12.754 -5.011 943 HG23 THR1003 3HG2 THR 3 -11.236 14.017 -5.352 944 H ARG1004 H ARG 4 -10.545 9.845 -6.835 945 HA ARG1004 HA ARG 4 -9.110 9.377 -4.481 946 HB2 ARG1004 2HB ARG 4 -10.717 7.533 -6.273 947 HB3 ARG1004 1HB ARG 4 -9.886 6.914 -4.852 948 HG2 ARG1004 2HG ARG 4 -11.180 8.574 -3.463 949 HG3 ARG1004 1HG ARG 4 -12.117 8.962 -4.909 950 HD2 ARG1004 2HD ARG 4 -12.876 6.624 -5.062 951 HD3 ARG1004 1HD ARG 4 -11.893 6.193 -3.660 952 HE ARG1004 HE ARG 4 -14.484 7.372 -3.652 953 HH11 ARG1004 1HH1 ARG 4 -11.468 7.354 -1.801 954 HH12 ARG1004 2HH1 ARG 4 -12.262 7.794 -0.317 955 HH21 ARG1004 1HH2 ARG 4 -15.477 7.939 -1.704 956 HH22 ARG1004 2HH2 ARG 4 -14.524 8.123 -0.267 957 H LEU1005 H LEU 5 -8.696 7.745 -7.660 958 HA LEU1005 HA LEU 5 -6.524 6.170 -6.822 959 HB2 LEU1005 2HB LEU 5 -7.520 6.881 -9.594 960 HB3 LEU1005 1HB LEU 5 -6.142 5.822 -9.341 961 HG LEU1005 HG LEU 5 -8.996 5.284 -8.423 962 HD11 LEU1005 1HD1 LEU 5 -8.702 5.006 -10.833 963 HD12 LEU1005 2HD1 LEU 5 -8.931 3.439 -10.063 964 HD13 LEU1005 3HD1 LEU 5 -7.314 3.943 -10.572 965 HD21 LEU1005 1HD2 LEU 5 -8.177 3.069 -7.684 966 HD22 LEU1005 2HD2 LEU 5 -7.418 4.372 -6.778 967 HD23 LEU1005 3HD2 LEU 5 -6.518 3.551 -8.054 968 H THR1006 H THR 6 -6.556 9.418 -8.290 969 HA THR1006 HA THR 6 -3.746 9.520 -8.831 970 HB THR1006 HB THR 6 -4.058 12.045 -8.869 971 HG1 THR1006 HG1 THR 6 -6.694 11.273 -8.154 972 HG21 THR1006 1HG2 THR 6 -4.332 10.722 -10.942 973 HG22 THR1006 2HG2 THR 6 -5.454 12.082 -10.905 974 HG23 THR1006 3HG2 THR 6 -6.035 10.454 -10.551 975 H ARG1007 H ARG 7 -5.686 10.811 -6.033 976 HA ARG1007 HA ARG 7 -3.392 11.664 -4.543 977 HB2 ARG1007 2HB ARG 7 -4.872 11.910 -2.618 978 HB3 ARG1007 1HB ARG 7 -5.665 12.536 -4.057 979 HG2 ARG1007 2HG ARG 7 -7.092 10.582 -4.200 980 HG3 ARG1007 1HG ARG 7 -6.210 9.784 -2.902 981 HD2 ARG1007 2HD ARG 7 -7.798 12.350 -2.575 982 HD3 ARG1007 1HD ARG 7 -8.407 10.739 -2.190 983 HE ARG1007 HE ARG 7 -6.340 10.677 -0.631 984 HH11 ARG1007 1HH1 ARG 7 -8.296 13.548 -1.205 985 HH12 ARG1007 2HH1 ARG 7 -7.959 14.230 0.351 986 HH21 ARG1007 1HH2 ARG 7 -5.909 11.584 1.398 987 HH22 ARG1007 2HH2 ARG 7 -6.607 13.117 1.826 988 H TRP1008 H TRP 8 -4.975 8.628 -4.925 989 HA TRP1008 HA TRP 8 -3.836 7.162 -2.788 990 HB2 TRP1008 2HB TRP 8 -5.703 6.111 -3.653 991 HB3 TRP1008 1HB TRP 8 -5.370 6.598 -5.300 992 HD1 TRP1008 HD1 TRP 8 -3.737 4.987 -6.738 993 HE1 TRP1008 HE1 TRP 8 -3.292 2.486 -6.548 994 HE3 TRP1008 HE3 TRP 8 -5.486 4.182 -2.010 995 HZ2 TRP1008 HZ2 TRP 8 -3.665 0.409 -4.714 996 HZ3 TRP1008 HZ3 TRP 8 -5.425 1.895 -1.113 997 HH2 TRP1008 HH2 TRP 8 -4.528 0.049 -2.440 998 H LEU1009 H LEU 9 -2.788 7.719 -6.193 999 HA LEU1009 HA LEU 9 -0.558 5.898 -6.099 1000 HB2 LEU1009 2HB LEU 9 -1.072 8.232 -7.998 1001 HB3 LEU1009 1HB LEU 9 0.210 7.050 -8.200 1002 HG LEU1009 HG LEU 9 -2.776 6.526 -8.424 1003 HD11 LEU1009 1HD1 LEU 9 -1.851 7.678 -10.375 1004 HD12 LEU1009 2HD1 LEU 9 -2.333 6.031 -10.774 1005 HD13 LEU1009 3HD1 LEU 9 -0.622 6.419 -10.553 1006 HD21 LEU1009 1HD2 LEU 9 -0.520 4.541 -8.715 1007 HD22 LEU1009 2HD2 LEU 9 -2.230 4.228 -9.024 1008 HD23 LEU1009 3HD2 LEU 9 -1.685 4.600 -7.391 1009 H THR1010 H THR 10 -1.066 9.312 -5.585 1010 HA THR1010 HA THR 10 1.513 10.236 -5.059 1011 HB THR1010 HB THR 10 -1.169 11.070 -3.860 1012 HG1 THR1010 HG1 THR 10 -1.357 11.538 -5.940 1013 HG21 THR1010 1HG2 THR 10 0.660 11.966 -2.492 1014 HG22 THR1010 2HG2 THR 10 -0.122 13.254 -3.408 1015 HG23 THR1010 3HG2 THR 10 1.439 12.621 -3.934 1016 H ALA1011 H ALA 11 -0.931 8.837 -2.854 1017 HA ALA1011 HA ALA 11 0.621 8.992 -0.469 1018 HB1 ALA1011 1HB ALA 11 -1.797 7.253 -1.067 1019 HB2 ALA1011 2HB ALA 11 -1.838 8.905 -0.449 1020 HB3 ALA1011 3HB ALA 11 -1.147 7.616 0.535 1021 H LEU1012 H LEU 12 0.375 6.574 -3.007 1022 HA LEU1012 HA LEU 12 1.584 4.394 -1.570 1023 HB2 LEU1012 2HB LEU 12 1.367 4.812 -4.584 1024 HB3 LEU1012 1HB LEU 12 1.832 3.319 -3.789 1025 HG LEU1012 HG LEU 12 -0.911 4.585 -3.952 1026 HD11 LEU1012 1HD1 LEU 12 -1.555 2.378 -4.843 1027 HD12 LEU1012 2HD1 LEU 12 0.119 1.843 -4.706 1028 HD13 LEU1012 3HD1 LEU 12 -0.301 3.159 -5.803 1029 HD21 LEU1012 1HD2 LEU 12 -0.142 2.355 -2.057 1030 HD22 LEU1012 2HD2 LEU 12 -1.789 2.887 -2.411 1031 HD23 LEU1012 3HD2 LEU 12 -0.666 3.981 -1.609 1032 H ASP1013 H ASP 13 2.708 6.848 -3.870 1033 HA ASP1013 HA ASP 13 5.422 5.990 -4.044 1034 HB2 ASP1013 2HB ASP 13 4.362 7.426 -5.757 1035 HB3 ASP1013 1HB ASP 13 4.176 8.726 -4.585 1036 H ASN1014 H ASN 14 3.700 8.308 -2.002 1037 HA ASN1014 HA ASN 14 5.848 9.447 -0.582 1038 HB2 ASN1014 2HB ASN 14 3.568 10.402 -0.563 1039 HB3 ASN1014 1HB ASN 14 2.959 8.988 0.290 1040 HD21 ASN1014 1HD2 ASN 14 2.254 10.082 2.092 1041 HD22 ASN1014 2HD2 ASN 14 3.303 10.863 3.215 1042 H PHE1015 H PHE 15 3.691 6.723 0.228 1043 HA PHE1015 HA PHE 15 4.781 5.850 2.621 1044 HB2 PHE1015 2HB PHE 15 2.705 4.907 1.943 1045 HB3 PHE1015 1HB PHE 15 3.334 4.413 0.377 1046 HD1 PHE1015 HD1 PHE 15 3.619 2.142 0.104 1047 HD2 PHE1015 HD2 PHE 15 4.074 3.704 4.036 1048 HE1 PHE1015 HE1 PHE 15 3.963 -0.136 0.952 1049 HE2 PHE1015 HE2 PHE 15 4.418 1.419 4.895 1050 HZ PHE1015 HZ PHE 15 4.358 -0.507 3.351 1051 H GLU1016 H GLU 16 5.393 4.468 -0.620 1052 HA GLU1016 HA GLU 16 7.323 2.638 -0.014 1053 HB2 GLU1016 2HB GLU 16 6.248 2.769 -2.202 1054 HB3 GLU1016 1HB GLU 16 7.063 4.293 -2.554 1055 HG2 GLU1016 2HG GLU 16 9.247 3.142 -2.531 1056 HG3 GLU1016 1HG GLU 16 8.451 1.612 -2.156 1057 H ALA1017 H ALA 17 7.882 6.024 -1.002 1058 HA ALA1017 HA ALA 17 10.683 5.982 -1.001 1059 HB1 ALA1017 1HB ALA 17 8.880 8.349 -0.418 1060 HB2 ALA1017 2HB ALA 17 9.374 7.793 -2.018 1061 HB3 ALA1017 3HB ALA 17 10.580 8.424 -0.896 1062 H LYS1018 H LYS 18 8.501 7.217 1.602 1063 HA LYS1018 HA LYS 18 10.698 7.809 3.341 1064 HB2 LYS1018 2HB LYS 18 7.723 7.681 3.982 1065 HB3 LYS1018 1HB LYS 18 8.966 8.358 5.030 1066 HG2 LYS1018 2HG LYS 18 9.483 9.918 2.951 1067 HG3 LYS1018 1HG LYS 18 7.854 9.460 2.450 1068 HD2 LYS1018 2HD LYS 18 7.725 11.551 3.673 1069 HD3 LYS1018 1HD LYS 18 6.992 10.287 4.666 1070 HE2 LYS1018 2HE LYS 18 9.106 10.103 5.956 1071 HE3 LYS1018 1HE LYS 18 9.806 11.392 4.975 1072 HZ1 LYS1018 1HZ LYS 18 9.025 12.277 7.038 1073 HZ2 LYS1018 2HZ LYS 18 7.481 11.630 6.806 1074 HZ3 LYS1018 3HZ LYS 18 8.042 12.860 5.796 1075 H MET1019 H MET 19 8.654 4.999 2.943 1076 HA MET1019 HA MET 19 9.350 3.845 5.506 1077 HB2 MET1019 2HB MET 19 7.961 2.019 4.996 1078 HB3 MET1019 1HB MET 19 7.143 3.389 4.278 1079 HG2 MET1019 2HG MET 19 7.234 2.481 2.201 1080 HG3 MET1019 1HG MET 19 8.927 2.020 2.371 1081 HE1 MET1019 1HE MET 19 8.608 0.296 5.136 1082 HE2 MET1019 2HE MET 19 9.690 -0.121 3.801 1083 HE3 MET1019 3HE MET 19 8.549 -1.311 4.425 1084 H ALA1020 H ALA 20 10.512 3.640 2.179 1085 HA ALA1020 HA ALA 20 12.501 1.625 2.700 1086 HB1 ALA1020 1HB ALA 20 13.483 2.329 0.549 1087 HB2 ALA1020 2HB ALA 20 12.401 3.725 0.502 1088 HB3 ALA1020 3HB ALA 20 11.740 2.093 0.411 1089 H LEU1021 H LEU 21 12.258 5.090 3.125 1090 HA LEU1021 HA LEU 21 15.060 5.513 3.719 1091 HB2 LEU1021 2HB LEU 21 12.630 7.314 4.009 1092 HB3 LEU1021 1HB LEU 21 14.266 7.826 4.399 1093 HG LEU1021 HG LEU 21 13.334 6.955 1.628 1094 HD11 LEU1021 1HD1 LEU 21 13.879 9.762 2.646 1095 HD12 LEU1021 2HD1 LEU 21 12.297 9.082 2.254 1096 HD13 LEU1021 3HD1 LEU 21 13.491 9.316 0.980 1097 HD21 LEU1021 1HD2 LEU 21 15.504 7.794 0.833 1098 HD22 LEU1021 2HD2 LEU 21 15.699 6.467 1.974 1099 HD23 LEU1021 3HD2 LEU 21 15.991 8.127 2.497 1100 H LEU1022 H LEU 22 12.297 4.456 5.579 1101 HA LEU1022 HA LEU 22 12.978 4.951 8.206 1102 HB2 LEU1022 2HB LEU 22 12.039 2.329 6.987 1103 HB3 LEU1022 1HB LEU 22 12.223 2.532 8.719 1104 HG LEU1022 HG LEU 22 10.280 4.094 6.969 1105 HD11 LEU1022 1HD1 LEU 22 9.742 1.840 8.938 1106 HD12 LEU1022 2HD1 LEU 22 9.617 1.743 7.179 1107 HD13 LEU1022 3HD1 LEU 22 8.520 2.784 8.079 1108 HD21 LEU1022 1HD2 LEU 22 11.006 5.433 8.874 1109 HD22 LEU1022 2HD2 LEU 22 10.629 4.111 9.982 1110 HD23 LEU1022 3HD2 LEU 22 9.335 4.915 9.089 1111 HA PRO1023 HA PRO 23 17.151 3.067 8.118 1112 HB2 PRO1023 2HB PRO 23 18.272 4.454 10.154 1113 HB3 PRO1023 1HB PRO 23 17.893 5.232 8.604 1114 HG2 PRO1023 2HG PRO 23 16.405 5.383 11.190 1115 HG3 PRO1023 1HG PRO 23 16.709 6.656 9.991 1116 HD2 PRO1023 2HD PRO 23 14.336 5.175 10.204 1117 HD3 PRO1023 1HD PRO 23 14.840 6.112 8.781 1118 H ALA1024 H ALA 24 14.691 2.635 10.430 1119 HA ALA1024 HA ALA 24 16.153 1.158 12.436 1120 HB1 ALA1024 1HB ALA 24 14.051 2.344 12.978 1121 HB2 ALA1024 2HB ALA 24 13.947 0.632 13.380 1122 HB3 ALA1024 3HB ALA 24 13.148 1.248 11.930 1123 H VAL1025 H VAL 25 13.640 0.157 10.100 1124 HA VAL1025 HA VAL 25 14.890 -2.506 9.850 1125 HB VAL1025 HB VAL 25 12.888 -2.738 11.254 1126 HG11 VAL1025 1HG1 VAL 25 10.602 -2.239 10.467 1127 HG12 VAL1025 2HG1 VAL 25 11.263 -1.516 8.998 1128 HG13 VAL1025 3HG1 VAL 25 11.594 -0.781 10.566 1129 HG21 VAL1025 1HG2 VAL 25 11.675 -4.474 9.962 1130 HG22 VAL1025 2HG2 VAL 25 13.421 -4.600 9.752 1131 HG23 VAL1025 3HG2 VAL 25 12.429 -3.893 8.474 Start of MODEL 7 1 H1 MET 1 1H MET 1 2.435 -6.004 25.263 2 H2 MET 1 2H MET 1 2.833 -7.612 25.592 3 H3 MET 1 3H MET 1 1.608 -7.255 24.494 4 HA MET 1 HA MET 1 4.486 -6.657 24.146 5 HB2 MET 1 2HB MET 1 2.733 -8.499 22.457 6 HB3 MET 1 1HB MET 1 4.486 -8.383 22.443 7 HG2 MET 1 2HG MET 1 3.932 -10.441 23.501 8 HG3 MET 1 1HG MET 1 4.459 -9.354 24.786 9 HE1 MET 1 1HE MET 1 1.365 -11.119 23.074 10 HE2 MET 1 2HE MET 1 0.935 -9.414 22.903 11 HE3 MET 1 3HE MET 1 0.019 -10.451 23.998 12 H THR 2 H THR 2 2.848 -4.480 24.115 13 HA THR 2 HA THR 2 1.026 -4.103 22.039 14 HB THR 2 HB THR 2 2.573 -1.929 23.527 15 HG1 THR 2 HG1 THR 2 0.390 -3.571 24.224 16 HG21 THR 2 1HG2 THR 2 0.579 -0.512 23.106 17 HG22 THR 2 2HG2 THR 2 -0.150 -1.805 22.150 18 HG23 THR 2 3HG2 THR 2 1.325 -1.016 21.588 19 H SER 3 H SER 3 4.464 -3.066 22.171 20 HA SER 3 HA SER 3 4.576 -1.682 19.726 21 HB2 SER 3 2HB SER 3 6.805 -3.274 21.061 22 HB3 SER 3 1HB SER 3 7.022 -1.978 19.881 23 HG SER 3 HG SER 3 5.489 -1.120 21.921 24 H THR 4 H THR 4 5.220 -5.079 20.494 25 HA THR 4 HA THR 4 6.062 -6.000 17.975 26 HB THR 4 HB THR 4 4.791 -7.500 20.309 27 HG1 THR 4 HG1 THR 4 7.296 -8.033 20.237 28 HG21 THR 4 1HG2 THR 4 4.667 -8.895 18.272 29 HG22 THR 4 2HG2 THR 4 5.880 -9.524 19.389 30 HG23 THR 4 3HG2 THR 4 6.382 -8.610 17.964 31 H VAL 5 H VAL 5 2.869 -6.182 19.527 32 HA VAL 5 HA VAL 5 1.593 -7.703 17.506 33 HB VAL 5 HB VAL 5 0.340 -5.947 19.678 34 HG11 VAL 5 1HG1 VAL 5 -1.326 -6.409 17.930 35 HG12 VAL 5 2HG1 VAL 5 -1.707 -7.336 19.383 36 HG13 VAL 5 3HG1 VAL 5 -0.958 -8.136 17.999 37 HG21 VAL 5 1HG2 VAL 5 0.908 -8.937 19.675 38 HG22 VAL 5 2HG2 VAL 5 0.097 -8.039 20.961 39 HG23 VAL 5 3HG2 VAL 5 1.793 -7.717 20.595 40 H GLU 6 H GLU 6 1.528 -4.200 18.283 41 HA GLU 6 HA GLU 6 -0.036 -3.309 16.146 42 HB2 GLU 6 2HB GLU 6 2.237 -1.960 17.650 43 HB3 GLU 6 1HB GLU 6 1.367 -1.130 16.364 44 HG2 GLU 6 2HG GLU 6 0.148 -2.227 18.907 45 HG3 GLU 6 1HG GLU 6 0.494 -0.532 18.572 46 H PHE 7 H PHE 7 3.487 -3.630 16.298 47 HA PHE 7 HA PHE 7 4.102 -2.543 13.803 48 HB2 PHE 7 2HB PHE 7 5.594 -3.006 15.849 49 HB3 PHE 7 1HB PHE 7 5.740 -4.654 15.258 50 HD1 PHE 7 HD1 PHE 7 7.832 -4.995 14.323 51 HD2 PHE 7 HD2 PHE 7 5.915 -1.239 13.679 52 HE1 PHE 7 HE1 PHE 7 9.744 -4.258 12.980 53 HE2 PHE 7 HE2 PHE 7 7.828 -0.507 12.326 54 HZ PHE 7 HZ PHE 7 9.740 -2.017 11.984 55 H ILE 8 H ILE 8 4.062 -6.015 14.703 56 HA ILE 8 HA ILE 8 4.545 -7.076 12.141 57 HB ILE 8 HB ILE 8 3.194 -8.442 14.519 58 HG12 ILE 8 2HG1 ILE 8 6.127 -8.493 13.651 59 HG13 ILE 8 1HG1 ILE 8 5.494 -7.614 15.038 60 HG21 ILE 8 1HG2 ILE 8 3.836 -10.590 13.444 61 HG22 ILE 8 2HG2 ILE 8 4.438 -9.706 12.040 62 HG23 ILE 8 3HG2 ILE 8 2.719 -9.667 12.435 63 HD11 ILE 8 1HD1 ILE 8 4.870 -9.726 16.093 64 HD12 ILE 8 2HD1 ILE 8 6.589 -9.662 15.710 65 HD13 ILE 8 3HD1 ILE 8 5.500 -10.608 14.700 66 H ASN 9 H ASN 9 1.431 -6.710 13.959 67 HA ASN 9 HA ASN 9 -0.078 -8.084 11.949 68 HB2 ASN 9 2HB ASN 9 -0.906 -6.450 14.364 69 HB3 ASN 9 1HB ASN 9 -2.107 -7.072 13.244 70 HD21 ASN 9 1HD2 ASN 9 0.375 -7.997 15.558 71 HD22 ASN 9 2HD2 ASN 9 -0.202 -9.598 15.812 72 H ARG 10 H ARG 10 0.678 -4.667 12.423 73 HA ARG 10 HA ARG 10 -1.228 -3.748 10.447 74 HB2 ARG 10 2HB ARG 10 1.144 -2.339 11.719 75 HB3 ARG 10 1HB ARG 10 0.050 -1.569 10.572 76 HG2 ARG 10 2HG ARG 10 -1.834 -1.851 12.119 77 HG3 ARG 10 1HG ARG 10 -0.799 -2.737 13.247 78 HD2 ARG 10 2HD ARG 10 -0.545 0.182 12.454 79 HD3 ARG 10 1HD ARG 10 -1.038 -0.453 14.027 80 HE ARG 10 HE ARG 10 1.504 -1.463 13.450 81 HH11 ARG 10 1HH1 ARG 10 0.042 1.663 14.145 82 HH12 ARG 10 2HH1 ARG 10 1.490 2.318 14.829 83 HH21 ARG 10 1HH2 ARG 10 3.400 -0.596 14.281 84 HH22 ARG 10 2HH2 ARG 10 3.426 1.021 14.906 85 H TRP 11 H TRP 11 2.355 -4.296 10.423 86 HA TRP 11 HA TRP 11 2.729 -3.654 7.688 87 HB2 TRP 11 2HB TRP 11 4.327 -5.360 9.615 88 HB3 TRP 11 1HB TRP 11 4.773 -5.327 7.913 89 HD1 TRP 11 HD1 TRP 11 5.638 -3.634 11.008 90 HE1 TRP 11 HE1 TRP 11 6.773 -1.376 10.554 91 HE3 TRP 11 HE3 TRP 11 4.433 -3.079 6.071 92 HZ2 TRP 11 HZ2 TRP 11 7.120 0.419 8.407 93 HZ3 TRP 11 HZ3 TRP 11 5.198 -1.065 4.891 94 HH2 TRP 11 HH2 TRP 11 6.511 0.648 6.037 95 H GLN 12 H GLN 12 1.835 -6.657 9.254 96 HA GLN 12 HA GLN 12 1.770 -8.417 7.059 97 HB2 GLN 12 2HB GLN 12 1.649 -9.190 9.399 98 HB3 GLN 12 1HB GLN 12 0.103 -8.377 9.622 99 HG2 GLN 12 2HG GLN 12 -0.883 -9.908 7.902 100 HG3 GLN 12 1HG GLN 12 0.658 -10.768 7.839 101 HE21 GLN 12 1HE2 GLN 12 -1.984 -11.751 8.630 102 HE22 GLN 12 2HE2 GLN 12 -1.806 -12.351 10.240 103 H ARG 13 H ARG 13 -0.719 -6.361 8.540 104 HA ARG 13 HA ARG 13 -2.875 -7.006 6.875 105 HB2 ARG 13 2HB ARG 13 -3.088 -5.776 9.032 106 HB3 ARG 13 1HB ARG 13 -2.323 -4.369 8.302 107 HG2 ARG 13 2HG ARG 13 -4.741 -4.054 8.406 108 HG3 ARG 13 1HG ARG 13 -4.213 -4.152 6.728 109 HD2 ARG 13 2HD ARG 13 -4.971 -6.510 6.627 110 HD3 ARG 13 1HD ARG 13 -5.498 -6.411 8.309 111 HE ARG 13 HE ARG 13 -6.992 -4.505 7.396 112 HH11 ARG 13 1HH1 ARG 13 -6.239 -7.462 5.637 113 HH12 ARG 13 2HH1 ARG 13 -7.722 -7.459 4.744 114 HH21 ARG 13 1HH2 ARG 13 -8.938 -4.505 6.260 115 HH22 ARG 13 2HH2 ARG 13 -9.282 -5.750 5.106 116 H ILE 14 H ILE 14 -0.364 -4.538 6.534 117 HA ILE 14 HA ILE 14 -1.397 -3.180 4.245 118 HB ILE 14 HB ILE 14 1.415 -3.311 5.445 119 HG12 ILE 14 2HG1 ILE 14 -0.694 -1.114 5.644 120 HG13 ILE 14 1HG1 ILE 14 -0.371 -2.306 6.895 121 HG21 ILE 14 1HG2 ILE 14 1.998 -1.300 4.162 122 HG22 ILE 14 2HG2 ILE 14 0.424 -1.322 3.368 123 HG23 ILE 14 3HG2 ILE 14 1.575 -2.622 3.075 124 HD11 ILE 14 1HD1 ILE 14 1.528 -0.197 5.900 125 HD12 ILE 14 2HD1 ILE 14 1.916 -1.429 7.105 126 HD13 ILE 14 3HD1 ILE 14 0.672 -0.226 7.439 127 H ALA 15 H ALA 15 0.933 -5.835 4.698 128 HA ALA 15 HA ALA 15 1.744 -6.161 2.006 129 HB1 ALA 15 1HB ALA 15 1.618 -8.210 4.243 130 HB2 ALA 15 2HB ALA 15 2.963 -7.119 3.909 131 HB3 ALA 15 3HB ALA 15 2.543 -8.374 2.745 132 H LEU 16 H LEU 16 -0.800 -7.730 3.908 133 HA LEU 16 HA LEU 16 -1.764 -9.489 1.891 134 HB2 LEU 16 2HB LEU 16 -3.077 -8.500 4.453 135 HB3 LEU 16 1HB LEU 16 -3.717 -9.789 3.450 136 HG LEU 16 HG LEU 16 -1.084 -9.871 4.982 137 HD11 LEU 16 1HD1 LEU 16 -3.676 -11.374 5.483 138 HD12 LEU 16 2HD1 LEU 16 -3.022 -10.064 6.467 139 HD13 LEU 16 3HD1 LEU 16 -2.164 -11.599 6.368 140 HD21 LEU 16 1HD2 LEU 16 -0.872 -11.129 2.902 141 HD22 LEU 16 2HD2 LEU 16 -2.353 -12.018 3.254 142 HD23 LEU 16 3HD2 LEU 16 -0.930 -12.229 4.277 143 H LEU 17 H LEU 17 -2.679 -6.244 2.949 144 HA LEU 17 HA LEU 17 -5.059 -5.966 1.416 145 HB2 LEU 17 2HB LEU 17 -3.205 -4.002 2.785 146 HB3 LEU 17 1HB LEU 17 -4.397 -3.380 1.658 147 HG LEU 17 HG LEU 17 -5.110 -5.061 4.099 148 HD11 LEU 17 1HD1 LEU 17 -5.261 -2.045 3.780 149 HD12 LEU 17 2HD1 LEU 17 -4.115 -2.921 4.795 150 HD13 LEU 17 3HD1 LEU 17 -5.836 -2.978 5.166 151 HD21 LEU 17 1HD2 LEU 17 -7.410 -4.282 3.661 152 HD22 LEU 17 2HD2 LEU 17 -6.773 -5.186 2.292 153 HD23 LEU 17 3HD2 LEU 17 -6.855 -3.425 2.219 154 H SER 18 H SER 18 -1.750 -4.699 0.832 155 HA SER 18 HA SER 18 -2.164 -3.618 -1.702 156 HB2 SER 18 2HB SER 18 0.323 -3.814 -1.977 157 HB3 SER 18 1HB SER 18 -0.140 -3.150 -0.410 158 HG SER 18 HG SER 18 0.795 -4.763 0.515 159 H GLN 19 H GLN 19 -1.251 -6.911 -0.761 160 HA GLN 19 HA GLN 19 -0.867 -8.080 -3.285 161 HB2 GLN 19 2HB GLN 19 -0.267 -9.140 -1.121 162 HB3 GLN 19 1HB GLN 19 -1.972 -9.324 -0.732 163 HG2 GLN 19 2HG GLN 19 -2.222 -10.843 -2.681 164 HG3 GLN 19 1HG GLN 19 -0.492 -10.698 -2.992 165 HE21 GLN 19 1HE2 GLN 19 -1.973 -10.931 0.233 166 HE22 GLN 19 2HE2 GLN 19 -1.325 -12.484 0.609 167 H SER 20 H SER 20 -3.828 -8.043 -1.253 168 HA SER 20 HA SER 20 -5.579 -9.307 -3.024 169 HB2 SER 20 2HB SER 20 -6.236 -7.174 -0.938 170 HB3 SER 20 1HB SER 20 -7.410 -8.266 -1.690 171 HG SER 20 HG SER 20 -5.648 -8.714 0.347 172 H LEU 21 H LEU 21 -5.169 -5.845 -2.457 173 HA LEU 21 HA LEU 21 -6.796 -4.682 -4.341 174 HB2 LEU 21 2HB LEU 21 -4.104 -3.739 -3.271 175 HB3 LEU 21 1HB LEU 21 -5.221 -2.708 -4.147 176 HG LEU 21 HG LEU 21 -6.016 -4.066 -1.543 177 HD11 LEU 21 1HD1 LEU 21 -5.485 -1.960 -0.363 178 HD12 LEU 21 2HD1 LEU 21 -4.755 -1.321 -1.836 179 HD13 LEU 21 3HD1 LEU 21 -4.042 -2.718 -1.035 180 HD21 LEU 21 1HD2 LEU 21 -7.694 -2.268 -1.459 181 HD22 LEU 21 2HD2 LEU 21 -7.861 -3.250 -2.909 182 HD23 LEU 21 3HD2 LEU 21 -7.116 -1.652 -3.008 183 H LEU 22 H LEU 22 -3.488 -5.896 -4.728 184 HA LEU 22 HA LEU 22 -3.005 -4.925 -7.352 185 HB2 LEU 22 2HB LEU 22 -1.133 -5.607 -6.018 186 HB3 LEU 22 1HB LEU 22 -1.814 -7.202 -5.737 187 HG LEU 22 HG LEU 22 -1.421 -7.812 -8.096 188 HD11 LEU 22 1HD1 LEU 22 -0.108 -6.358 -9.594 189 HD12 LEU 22 2HD1 LEU 22 -0.215 -5.048 -8.414 190 HD13 LEU 22 3HD1 LEU 22 -1.677 -5.664 -9.190 191 HD21 LEU 22 1HD2 LEU 22 1.024 -7.953 -8.019 192 HD22 LEU 22 2HD2 LEU 22 0.323 -8.297 -6.441 193 HD23 LEU 22 3HD2 LEU 22 1.072 -6.729 -6.749 194 H GLU 23 H GLU 23 -4.056 -8.109 -6.168 195 HA GLU 23 HA GLU 23 -4.372 -9.427 -8.646 196 HB2 GLU 23 2HB GLU 23 -5.840 -9.895 -6.011 197 HB3 GLU 23 1HB GLU 23 -5.730 -11.057 -7.334 198 HG2 GLU 23 2HG GLU 23 -3.329 -11.268 -7.035 199 HG3 GLU 23 1HG GLU 23 -3.317 -9.973 -5.844 200 H LEU 24 H LEU 24 -6.576 -7.529 -6.702 201 HA LEU 24 HA LEU 24 -8.948 -7.801 -8.222 202 HB2 LEU 24 2HB LEU 24 -8.034 -5.649 -6.271 203 HB3 LEU 24 1HB LEU 24 -9.668 -5.762 -6.909 204 HG LEU 24 HG LEU 24 -8.328 -7.892 -5.196 205 HD11 LEU 24 1HD1 LEU 24 -8.696 -5.903 -3.860 206 HD12 LEU 24 2HD1 LEU 24 -9.859 -7.143 -3.393 207 HD13 LEU 24 3HD1 LEU 24 -10.369 -5.793 -4.411 208 HD21 LEU 24 1HD2 LEU 24 -11.195 -7.683 -6.153 209 HD22 LEU 24 2HD2 LEU 24 -10.569 -8.887 -5.026 210 HD23 LEU 24 3HD2 LEU 24 -9.992 -8.860 -6.690 211 H ALA 25 H ALA 25 -6.307 -5.412 -8.251 212 HA ALA 25 HA ALA 25 -7.412 -3.623 -10.163 213 HB1 ALA 25 1HB ALA 25 -5.143 -2.711 -10.358 214 HB2 ALA 25 2HB ALA 25 -4.477 -4.127 -9.537 215 HB3 ALA 25 3HB ALA 25 -5.539 -3.020 -8.667 216 H GLN 26 H GLN 26 -5.445 -6.527 -10.458 217 HA GLN 26 HA GLN 26 -5.007 -6.502 -13.260 218 HB2 GLN 26 2HB GLN 26 -5.127 -8.796 -11.263 219 HB3 GLN 26 1HB GLN 26 -4.613 -8.991 -12.933 220 HG2 GLN 26 2HG GLN 26 -3.201 -7.068 -11.062 221 HG3 GLN 26 1HG GLN 26 -2.794 -8.780 -11.116 222 HE21 GLN 26 1HE2 GLN 26 -0.623 -8.147 -11.788 223 HE22 GLN 26 2HE2 GLN 26 -0.328 -7.689 -13.426 224 H ARG 27 H ARG 27 -7.636 -7.823 -11.236 225 HA ARG 27 HA ARG 27 -9.150 -8.836 -13.494 226 HB2 ARG 27 2HB ARG 27 -9.986 -8.362 -10.611 227 HB3 ARG 27 1HB ARG 27 -10.966 -9.194 -11.811 228 HG2 ARG 27 2HG ARG 27 -8.253 -10.138 -10.837 229 HG3 ARG 27 1HG ARG 27 -9.802 -10.723 -10.240 230 HD2 ARG 27 2HD ARG 27 -8.979 -12.350 -11.809 231 HD3 ARG 27 1HD ARG 27 -10.321 -11.511 -12.582 232 HE ARG 27 HE ARG 27 -8.865 -10.574 -14.120 233 HH11 ARG 27 1HH1 ARG 27 -6.981 -12.374 -11.753 234 HH12 ARG 27 2HH1 ARG 27 -5.531 -12.318 -12.701 235 HH21 ARG 27 1HH2 ARG 27 -6.951 -10.504 -15.325 236 HH22 ARG 27 2HH2 ARG 27 -5.513 -11.264 -14.713 237 H GLY 28 H GLY 28 -8.767 -5.724 -12.129 238 HA2 GLY 28 2HA GLY 28 -9.633 -3.695 -12.874 239 HA3 GLY 28 1HA GLY 28 -10.830 -4.553 -13.828 240 H GLU 29 H GLU 29 -10.639 -5.573 -10.568 241 HA GLU 29 HA GLU 29 -13.195 -4.548 -9.819 242 HB2 GLU 29 2HB GLU 29 -11.018 -5.823 -8.118 243 HB3 GLU 29 1HB GLU 29 -12.675 -5.551 -7.600 244 HG2 GLU 29 2HG GLU 29 -11.805 -7.386 -9.851 245 HG3 GLU 29 1HG GLU 29 -12.272 -7.890 -8.227 246 H TRP 30 H TRP 30 -12.629 -2.256 -10.312 247 HA TRP 30 HA TRP 30 -10.661 -0.827 -8.856 248 HB2 TRP 30 2HB TRP 30 -13.071 0.378 -10.280 249 HB3 TRP 30 1HB TRP 30 -11.564 1.194 -9.872 250 HD1 TRP 30 HD1 TRP 30 -13.168 0.070 -12.826 251 HE1 TRP 30 HE1 TRP 30 -11.544 -0.646 -14.677 252 HE3 TRP 30 HE3 TRP 30 -8.883 -0.454 -10.049 253 HZ2 TRP 30 HZ2 TRP 30 -8.839 -1.327 -14.960 254 HZ3 TRP 30 HZ3 TRP 30 -6.821 -1.145 -11.201 255 HH2 TRP 30 HH2 TRP 30 -6.801 -1.576 -13.607 256 H ASP 31 H ASP 31 -14.116 -1.340 -8.381 257 HA ASP 31 HA ASP 31 -14.656 0.605 -6.440 258 HB2 ASP 31 2HB ASP 31 -15.940 -2.132 -6.842 259 HB3 ASP 31 1HB ASP 31 -16.593 -0.887 -5.780 260 H LEU 32 H LEU 32 -13.429 -2.692 -6.085 261 HA LEU 32 HA LEU 32 -13.462 -2.755 -3.232 262 HB2 LEU 32 2HB LEU 32 -11.920 -4.425 -5.243 263 HB3 LEU 32 1HB LEU 32 -11.931 -4.739 -3.513 264 HG LEU 32 HG LEU 32 -14.336 -4.903 -5.379 265 HD11 LEU 32 1HD1 LEU 32 -12.819 -6.788 -5.630 266 HD12 LEU 32 2HD1 LEU 32 -14.281 -7.317 -4.799 267 HD13 LEU 32 3HD1 LEU 32 -12.792 -7.043 -3.883 268 HD21 LEU 32 1HD2 LEU 32 -15.603 -5.726 -3.415 269 HD22 LEU 32 2HD2 LEU 32 -15.069 -4.063 -3.188 270 HD23 LEU 32 3HD2 LEU 32 -14.220 -5.379 -2.374 271 H LEU 33 H LEU 33 -11.029 -1.733 -5.612 272 HA LEU 33 HA LEU 33 -8.942 -1.173 -3.758 273 HB2 LEU 33 2HB LEU 33 -9.516 -0.201 -6.560 274 HB3 LEU 33 1HB LEU 33 -8.299 0.636 -5.612 275 HG LEU 33 HG LEU 33 -7.053 -1.523 -5.350 276 HD11 LEU 33 1HD1 LEU 33 -7.575 -3.424 -6.798 277 HD12 LEU 33 2HD1 LEU 33 -9.061 -2.630 -7.324 278 HD13 LEU 33 3HD1 LEU 33 -8.867 -3.118 -5.639 279 HD21 LEU 33 1HD2 LEU 33 -6.419 0.099 -7.075 280 HD22 LEU 33 2HD2 LEU 33 -7.533 -0.658 -8.216 281 HD23 LEU 33 3HD2 LEU 33 -6.132 -1.552 -7.621 282 H LEU 34 H LEU 34 -11.656 0.762 -4.940 283 HA LEU 34 HA LEU 34 -10.896 3.203 -3.612 284 HB2 LEU 34 2HB LEU 34 -13.600 2.406 -4.773 285 HB3 LEU 34 1HB LEU 34 -13.082 4.038 -4.379 286 HG LEU 34 HG LEU 34 -12.033 2.280 -6.624 287 HD11 LEU 34 1HD1 LEU 34 -14.170 3.341 -7.136 288 HD12 LEU 34 2HD1 LEU 34 -12.881 4.020 -8.126 289 HD13 LEU 34 3HD1 LEU 34 -13.499 4.927 -6.743 290 HD21 LEU 34 1HD2 LEU 34 -10.542 4.139 -7.263 291 HD22 LEU 34 2HD2 LEU 34 -10.121 3.452 -5.698 292 HD23 LEU 34 3HD2 LEU 34 -10.982 4.989 -5.780 293 H GLN 35 H GLN 35 -12.696 0.391 -2.704 294 HA GLN 35 HA GLN 35 -14.036 1.517 -0.402 295 HB2 GLN 35 2HB GLN 35 -14.911 -0.473 -1.678 296 HB3 GLN 35 1HB GLN 35 -13.525 -1.407 -1.128 297 HG2 GLN 35 2HG GLN 35 -15.484 -1.960 0.189 298 HG3 GLN 35 1HG GLN 35 -14.290 -1.164 1.206 299 HE21 GLN 35 1HE2 GLN 35 -17.371 -0.793 -0.411 300 HE22 GLN 35 2HE2 GLN 35 -17.919 0.559 0.514 301 H GLN 36 H GLN 36 -11.419 -0.828 -0.874 302 HA GLN 36 HA GLN 36 -10.519 -0.846 1.851 303 HB2 GLN 36 2HB GLN 36 -9.399 -2.044 -0.711 304 HB3 GLN 36 1HB GLN 36 -8.678 -2.314 0.873 305 HG2 GLN 36 2HG GLN 36 -10.568 -3.560 1.642 306 HG3 GLN 36 1HG GLN 36 -11.580 -2.998 0.317 307 HE21 GLN 36 1HE2 GLN 36 -9.721 -3.515 -1.814 308 HE22 GLN 36 2HE2 GLN 36 -9.630 -5.230 -1.981 309 H GLU 37 H GLU 37 -9.986 1.294 -0.727 310 HA GLU 37 HA GLU 37 -7.503 2.343 -0.582 311 HB2 GLU 37 2HB GLU 37 -9.362 3.249 -1.952 312 HB3 GLU 37 1HB GLU 37 -10.100 3.935 -0.511 313 HG2 GLU 37 2HG GLU 37 -7.957 5.303 -0.238 314 HG3 GLU 37 1HG GLU 37 -7.514 4.766 -1.857 315 H VAL 38 H VAL 38 -10.140 3.321 1.609 316 HA VAL 38 HA VAL 38 -8.630 4.986 3.274 317 HB VAL 38 HB VAL 38 -11.063 5.130 3.268 318 HG11 VAL 38 1HG1 VAL 38 -11.650 2.763 2.964 319 HG12 VAL 38 2HG1 VAL 38 -12.524 3.457 4.329 320 HG13 VAL 38 3HG1 VAL 38 -11.133 2.408 4.614 321 HG21 VAL 38 1HG2 VAL 38 -11.499 5.308 5.695 322 HG22 VAL 38 2HG2 VAL 38 -9.905 5.941 5.288 323 HG23 VAL 38 3HG2 VAL 38 -10.053 4.348 6.032 324 H SER 39 H SER 39 -9.354 1.524 3.532 325 HA SER 39 HA SER 39 -8.316 1.052 6.092 326 HB2 SER 39 2HB SER 39 -8.513 -0.856 3.724 327 HB3 SER 39 1HB SER 39 -8.330 -1.330 5.418 328 HG SER 39 HG SER 39 -10.450 -1.342 5.329 329 H TYR 40 H TYR 40 -6.798 0.901 2.908 330 HA TYR 40 HA TYR 40 -4.347 -0.290 3.762 331 HB2 TYR 40 2HB TYR 40 -5.267 -0.560 1.457 332 HB3 TYR 40 1HB TYR 40 -4.998 1.153 1.151 333 HD1 TYR 40 HD1 TYR 40 -3.170 1.466 -0.326 334 HD2 TYR 40 HD2 TYR 40 -2.892 -1.639 2.591 335 HE1 TYR 40 HE1 TYR 40 -0.912 0.915 -1.118 336 HE2 TYR 40 HE2 TYR 40 -0.638 -2.171 1.793 337 HH TYR 40 HH TYR 40 1.133 -0.137 -0.276 338 H LEU 41 H LEU 41 -5.263 3.012 2.756 339 HA LEU 41 HA LEU 41 -2.680 4.154 3.132 340 HB2 LEU 41 2HB LEU 41 -5.398 5.504 2.935 341 HB3 LEU 41 1HB LEU 41 -3.855 6.339 2.846 342 HG LEU 41 HG LEU 41 -4.931 4.327 0.823 343 HD11 LEU 41 1HD1 LEU 41 -5.993 6.529 0.630 344 HD12 LEU 41 2HD1 LEU 41 -4.953 6.215 -0.755 345 HD13 LEU 41 3HD1 LEU 41 -4.411 7.306 0.524 346 HD21 LEU 41 1HD2 LEU 41 -2.909 4.795 -0.518 347 HD22 LEU 41 2HD2 LEU 41 -2.513 4.025 1.015 348 HD23 LEU 41 3HD2 LEU 41 -2.252 5.759 0.808 349 H GLN 42 H GLN 42 -5.440 3.713 5.266 350 HA GLN 42 HA GLN 42 -4.548 5.426 7.395 351 HB2 GLN 42 2HB GLN 42 -6.929 4.801 7.092 352 HB3 GLN 42 1HB GLN 42 -6.543 3.116 7.416 353 HG2 GLN 42 2HG GLN 42 -5.944 3.665 9.720 354 HG3 GLN 42 1HG GLN 42 -6.229 5.380 9.413 355 HE21 GLN 42 1HE2 GLN 42 -7.732 2.247 9.768 356 HE22 GLN 42 2HE2 GLN 42 -9.342 2.818 10.025 357 H SER 43 H SER 43 -4.261 1.946 6.660 358 HA SER 43 HA SER 43 -2.879 1.182 9.017 359 HB2 SER 43 2HB SER 43 -2.863 -0.084 6.249 360 HB3 SER 43 1HB SER 43 -2.177 -0.834 7.695 361 HG SER 43 HG SER 43 -4.866 0.042 7.627 362 H ILE 44 H ILE 44 -1.733 2.307 5.864 363 HA ILE 44 HA ILE 44 1.048 2.253 6.190 364 HB ILE 44 HB ILE 44 -0.858 3.969 4.552 365 HG12 ILE 44 2HG1 ILE 44 1.244 1.916 3.701 366 HG13 ILE 44 1HG1 ILE 44 -0.480 1.601 3.852 367 HG21 ILE 44 1HG2 ILE 44 1.038 4.997 3.326 368 HG22 ILE 44 2HG2 ILE 44 2.151 4.324 4.518 369 HG23 ILE 44 3HG2 ILE 44 0.951 5.517 5.011 370 HD11 ILE 44 1HD1 ILE 44 0.843 3.435 1.850 371 HD12 ILE 44 2HD1 ILE 44 -0.901 3.208 2.021 372 HD13 ILE 44 3HD1 ILE 44 0.123 1.854 1.543 373 H GLU 45 H GLU 45 -1.288 4.827 6.905 374 HA GLU 45 HA GLU 45 0.405 6.824 7.839 375 HB2 GLU 45 2HB GLU 45 -1.992 7.139 7.264 376 HB3 GLU 45 1HB GLU 45 -2.460 6.185 8.666 377 HG2 GLU 45 2HG GLU 45 -2.783 8.507 9.181 378 HG3 GLU 45 1HG GLU 45 -1.433 7.909 10.140 379 H THR 46 H THR 46 -1.430 4.415 9.766 380 HA THR 46 HA THR 46 -0.448 5.259 12.272 381 HB THR 46 HB THR 46 -2.560 4.065 12.190 382 HG1 THR 46 HG1 THR 46 -1.486 3.809 14.130 383 HG21 THR 46 1HG2 THR 46 -2.123 2.521 10.321 384 HG22 THR 46 2HG2 THR 46 -2.730 1.657 11.733 385 HG23 THR 46 3HG2 THR 46 -1.011 1.600 11.336 386 H VAL 47 H VAL 47 0.752 2.746 10.021 387 HA VAL 47 HA VAL 47 2.499 1.561 11.971 388 HB VAL 47 HB VAL 47 1.513 0.480 9.780 389 HG11 VAL 47 1HG1 VAL 47 3.066 0.397 7.867 390 HG12 VAL 47 2HG1 VAL 47 4.103 1.588 8.649 391 HG13 VAL 47 3HG1 VAL 47 2.470 2.035 8.149 392 HG21 VAL 47 1HG2 VAL 47 2.877 -0.736 11.404 393 HG22 VAL 47 2HG2 VAL 47 4.355 -0.119 10.654 394 HG23 VAL 47 3HG2 VAL 47 3.298 -1.212 9.756 395 H MET 48 H MET 48 2.894 4.027 9.457 396 HA MET 48 HA MET 48 5.769 4.204 9.749 397 HB2 MET 48 2HB MET 48 4.662 4.712 7.591 398 HB3 MET 48 1HB MET 48 3.824 6.071 8.321 399 HG2 MET 48 2HG MET 48 5.945 7.228 8.668 400 HG3 MET 48 1HG MET 48 6.832 5.836 8.043 401 HE1 MET 48 1HE MET 48 5.085 4.907 5.509 402 HE2 MET 48 2HE MET 48 6.842 5.081 5.517 403 HE3 MET 48 3HE MET 48 5.885 5.844 4.247 404 H GLU 49 H GLU 49 2.968 5.698 11.206 405 HA GLU 49 HA GLU 49 4.364 7.906 12.427 406 HB2 GLU 49 2HB GLU 49 1.819 7.663 11.893 407 HB3 GLU 49 1HB GLU 49 1.722 6.713 13.361 408 HG2 GLU 49 2HG GLU 49 2.692 9.585 13.271 409 HG3 GLU 49 1HG GLU 49 1.024 9.118 13.583 410 H LYS 50 H LYS 50 3.533 4.568 13.358 411 HA LYS 50 HA LYS 50 4.884 4.917 15.981 412 HB2 LYS 50 2HB LYS 50 2.340 4.167 15.794 413 HB3 LYS 50 1HB LYS 50 3.015 2.590 15.431 414 HG2 LYS 50 2HG LYS 50 3.483 4.196 17.966 415 HG3 LYS 50 1HG LYS 50 2.400 2.819 17.797 416 HD2 LYS 50 2HD LYS 50 4.381 1.375 17.292 417 HD3 LYS 50 1HD LYS 50 5.429 2.769 17.578 418 HE2 LYS 50 2HE LYS 50 3.596 1.434 19.590 419 HE3 LYS 50 1HE LYS 50 5.355 1.375 19.571 420 HZ1 LYS 50 1HZ LYS 50 3.709 3.813 20.011 421 HZ2 LYS 50 2HZ LYS 50 5.399 3.756 20.016 422 HZ3 LYS 50 3HZ LYS 50 4.521 2.937 21.205 423 H GLN 51 H GLN 51 6.867 4.614 15.168 424 HA GLN 51 HA GLN 51 7.684 2.126 13.849 425 HB2 GLN 51 2HB GLN 51 9.437 4.495 14.671 426 HB3 GLN 51 1HB GLN 51 9.778 3.278 13.442 427 HG2 GLN 51 2HG GLN 51 8.014 4.185 12.008 428 HG3 GLN 51 1HG GLN 51 7.568 5.348 13.253 429 HE21 GLN 51 1HE2 GLN 51 8.236 6.004 10.611 430 HE22 GLN 51 2HE2 GLN 51 9.689 6.938 10.619 431 H THR 52 H THR 52 9.196 0.709 14.838 432 HA THR 52 HA THR 52 9.258 0.755 17.791 433 HB THR 52 HB THR 52 10.218 -1.601 17.510 434 HG1 THR 52 HG1 THR 52 10.493 -0.898 15.007 435 HG21 THR 52 1HG2 THR 52 8.048 -2.630 16.980 436 HG22 THR 52 2HG2 THR 52 7.473 -1.107 16.304 437 HG23 THR 52 3HG2 THR 52 7.834 -1.226 18.028 438 HA PRO 53 HA PRO 53 13.387 2.311 18.235 439 HB2 PRO 53 2HB PRO 53 14.499 0.531 20.116 440 HB3 PRO 53 1HB PRO 53 13.430 1.885 20.517 441 HG2 PRO 53 2HG PRO 53 12.737 -1.008 20.143 442 HG3 PRO 53 1HG PRO 53 12.198 0.127 21.406 443 HD2 PRO 53 2HD PRO 53 10.579 -0.447 19.381 444 HD3 PRO 53 1HD PRO 53 10.702 1.231 19.957 445 HA PRO 54 HA PRO 54 16.275 0.612 15.284 446 HB2 PRO 54 2HB PRO 54 18.341 1.047 17.466 447 HB3 PRO 54 1HB PRO 54 18.426 1.470 15.737 448 HG2 PRO 54 2HG PRO 54 17.864 3.347 17.486 449 HG3 PRO 54 1HG PRO 54 16.936 3.266 15.966 450 HD2 PRO 54 2HD PRO 54 16.114 2.441 18.735 451 HD3 PRO 54 1HD PRO 54 15.139 3.176 17.445 452 H GLY 55 H GLY 55 16.976 -0.600 18.567 453 HA2 GLY 55 2HA GLY 55 17.982 -3.168 17.633 454 HA3 GLY 55 1HA GLY 55 17.782 -2.639 19.297 455 H ILE 56 H ILE 56 15.505 -3.038 16.567 456 HA ILE 56 HA ILE 56 13.495 -4.380 18.129 457 HB ILE 56 HB ILE 56 12.871 -3.003 16.191 458 HG12 ILE 56 2HG1 ILE 56 11.426 -4.664 14.897 459 HG13 ILE 56 1HG1 ILE 56 12.209 -5.954 15.804 460 HG21 ILE 56 1HG2 ILE 56 13.370 -3.632 13.866 461 HG22 ILE 56 2HG2 ILE 56 14.373 -4.967 14.438 462 HG23 ILE 56 3HG2 ILE 56 14.841 -3.301 14.786 463 HD11 ILE 56 1HD1 ILE 56 10.548 -3.717 16.957 464 HD12 ILE 56 2HD1 ILE 56 11.327 -5.000 17.889 465 HD13 ILE 56 3HD1 ILE 56 10.048 -5.392 16.738 466 H THR 57 H THR 57 13.072 -6.681 18.196 467 HA THR 57 HA THR 57 15.445 -8.270 17.994 468 HB THR 57 HB THR 57 13.665 -8.548 19.791 469 HG1 THR 57 HG1 THR 57 13.866 -11.061 19.381 470 HG21 THR 57 1HG2 THR 57 11.650 -8.669 18.358 471 HG22 THR 57 2HG2 THR 57 11.811 -10.102 19.371 472 HG23 THR 57 3HG2 THR 57 12.232 -10.183 17.660 473 H ARG 58 H ARG 58 15.315 -10.535 17.003 474 HA ARG 58 HA ARG 58 15.628 -9.931 14.245 475 HB2 ARG 58 2HB ARG 58 16.038 -12.521 15.792 476 HB3 ARG 58 1HB ARG 58 16.347 -12.391 14.066 477 HG2 ARG 58 2HG ARG 58 18.462 -12.168 15.133 478 HG3 ARG 58 1HG ARG 58 18.017 -10.553 14.586 479 HD2 ARG 58 2HD ARG 58 17.298 -9.994 16.897 480 HD3 ARG 58 1HD ARG 58 17.790 -11.605 17.428 481 HE ARG 58 HE ARG 58 19.915 -10.207 16.129 482 HH11 ARG 58 1HH1 ARG 58 18.219 -10.424 19.218 483 HH12 ARG 58 2HH1 ARG 58 19.572 -9.839 20.134 484 HH21 ARG 58 1HH2 ARG 58 21.678 -9.480 17.333 485 HH22 ARG 58 2HH2 ARG 58 21.549 -9.301 19.053 486 H SER 59 H SER 59 13.360 -12.105 15.941 487 HA SER 59 HA SER 59 12.223 -13.319 13.674 488 HB2 SER 59 2HB SER 59 10.898 -12.826 16.380 489 HB3 SER 59 1HB SER 59 10.390 -14.016 15.178 490 HG SER 59 HG SER 59 12.501 -14.977 15.424 491 H ILE 60 H ILE 60 11.146 -10.504 15.551 492 HA ILE 60 HA ILE 60 8.824 -9.836 14.105 493 HB ILE 60 HB ILE 60 10.671 -7.973 15.684 494 HG12 ILE 60 2HG1 ILE 60 8.123 -9.394 16.609 495 HG13 ILE 60 1HG1 ILE 60 9.758 -9.857 17.069 496 HG21 ILE 60 1HG2 ILE 60 7.793 -7.553 14.806 497 HG22 ILE 60 2HG2 ILE 60 9.204 -6.710 14.170 498 HG23 ILE 60 3HG2 ILE 60 8.711 -6.465 15.845 499 HD11 ILE 60 1HD1 ILE 60 8.379 -7.264 17.754 500 HD12 ILE 60 2HD1 ILE 60 10.040 -7.683 18.185 501 HD13 ILE 60 3HD1 ILE 60 8.695 -8.617 18.839 502 H GLN 61 H GLN 61 12.149 -8.541 13.918 503 HA GLN 61 HA GLN 61 11.751 -6.671 11.865 504 HB2 GLN 61 2HB GLN 61 13.711 -6.561 13.314 505 HB3 GLN 61 1HB GLN 61 14.281 -8.126 12.746 506 HG2 GLN 61 2HG GLN 61 14.724 -7.200 10.530 507 HG3 GLN 61 1HG GLN 61 14.057 -5.641 11.019 508 HE21 GLN 61 1HE2 GLN 61 15.322 -4.256 12.266 509 HE22 GLN 61 2HE2 GLN 61 16.995 -4.540 12.598 510 H ASP 62 H ASP 62 12.538 -10.114 11.719 511 HA ASP 62 HA ASP 62 13.200 -10.272 8.946 512 HB2 ASP 62 2HB ASP 62 13.892 -12.020 10.541 513 HB3 ASP 62 1HB ASP 62 12.212 -12.436 10.866 514 H MET 63 H MET 63 10.243 -11.204 10.740 515 HA MET 63 HA MET 63 8.684 -11.871 8.504 516 HB2 MET 63 2HB MET 63 7.801 -10.954 11.268 517 HB3 MET 63 1HB MET 63 6.697 -11.567 10.044 518 HG2 MET 63 2HG MET 63 7.901 -13.730 10.056 519 HG3 MET 63 1HG MET 63 8.966 -13.113 11.320 520 HE1 MET 63 1HE MET 63 6.995 -11.473 13.269 521 HE2 MET 63 2HE MET 63 8.221 -12.623 13.805 522 HE3 MET 63 3HE MET 63 6.563 -12.762 14.389 523 H VAL 64 H VAL 64 8.982 -8.816 10.249 524 HA VAL 64 HA VAL 64 7.062 -7.312 8.840 525 HB VAL 64 HB VAL 64 9.424 -6.609 10.611 526 HG11 VAL 64 1HG1 VAL 64 8.786 -4.216 10.541 527 HG12 VAL 64 2HG1 VAL 64 7.676 -4.560 9.213 528 HG13 VAL 64 3HG1 VAL 64 9.411 -4.787 8.993 529 HG21 VAL 64 1HG2 VAL 64 7.661 -5.779 12.119 530 HG22 VAL 64 2HG2 VAL 64 7.357 -7.454 11.669 531 HG23 VAL 64 3HG2 VAL 64 6.428 -6.154 10.915 532 H ALA 65 H ALA 65 10.600 -7.666 8.326 533 HA ALA 65 HA ALA 65 10.750 -5.853 6.134 534 HB1 ALA 65 1HB ALA 65 12.944 -6.852 5.681 535 HB2 ALA 65 2HB ALA 65 12.579 -8.183 6.784 536 HB3 ALA 65 3HB ALA 65 12.732 -6.538 7.402 537 H GLY 66 H GLY 66 9.946 -9.269 6.371 538 HA2 GLY 66 2HA GLY 66 9.815 -9.955 3.625 539 HA3 GLY 66 1HA GLY 66 8.886 -10.704 4.925 540 H TYR 67 H TYR 67 7.385 -8.627 5.885 541 HA TYR 67 HA TYR 67 5.253 -8.359 4.005 542 HB2 TYR 67 2HB TYR 67 5.679 -6.897 6.646 543 HB3 TYR 67 1HB TYR 67 4.165 -6.953 5.747 544 HD1 TYR 67 HD1 TYR 67 5.105 -8.028 8.710 545 HD2 TYR 67 HD2 TYR 67 4.092 -9.855 4.976 546 HE1 TYR 67 HE1 TYR 67 4.494 -10.112 9.878 547 HE2 TYR 67 HE2 TYR 67 3.482 -11.914 6.153 548 HH TYR 67 HH TYR 67 4.082 -13.040 8.247 549 H ILE 68 H ILE 68 7.931 -6.367 4.863 550 HA ILE 68 HA ILE 68 7.102 -3.856 3.830 551 HB ILE 68 HB ILE 68 9.749 -5.076 4.669 552 HG12 ILE 68 2HG1 ILE 68 8.216 -2.608 5.606 553 HG13 ILE 68 1HG1 ILE 68 8.231 -4.172 6.405 554 HG21 ILE 68 1HG2 ILE 68 10.974 -2.974 4.153 555 HG22 ILE 68 2HG2 ILE 68 9.569 -2.405 3.254 556 HG23 ILE 68 3HG2 ILE 68 10.442 -3.835 2.706 557 HD11 ILE 68 1HD1 ILE 68 9.619 -2.618 7.581 558 HD12 ILE 68 2HD1 ILE 68 10.557 -2.274 6.130 559 HD13 ILE 68 3HD1 ILE 68 10.632 -3.876 6.876 560 H LYS 69 H LYS 69 9.358 -6.325 2.488 561 HA LYS 69 HA LYS 69 9.555 -5.097 -0.082 562 HB2 LYS 69 2HB LYS 69 10.132 -7.981 0.707 563 HB3 LYS 69 1HB LYS 69 10.654 -7.203 -0.786 564 HG2 LYS 69 2HG LYS 69 12.038 -5.624 0.520 565 HG3 LYS 69 1HG LYS 69 11.522 -6.417 2.013 566 HD2 LYS 69 2HD LYS 69 12.543 -8.550 1.184 567 HD3 LYS 69 1HD LYS 69 13.126 -7.685 -0.242 568 HE2 LYS 69 2HE LYS 69 14.477 -6.215 1.213 569 HE3 LYS 69 1HE LYS 69 13.888 -7.083 2.633 570 HZ1 LYS 69 1HZ LYS 69 16.070 -7.847 1.965 571 HZ2 LYS 69 2HZ LYS 69 15.495 -8.265 0.434 572 HZ3 LYS 69 3HZ LYS 69 14.940 -9.091 1.796 573 H GLN 70 H GLN 70 7.404 -7.466 1.327 574 HA GLN 70 HA GLN 70 6.109 -8.471 -0.949 575 HB2 GLN 70 2HB GLN 70 5.831 -9.376 1.369 576 HB3 GLN 70 1HB GLN 70 4.929 -7.932 1.806 577 HG2 GLN 70 2HG GLN 70 3.344 -9.665 1.442 578 HG3 GLN 70 1HG GLN 70 3.212 -8.568 0.071 579 HE21 GLN 70 1HE2 GLN 70 4.145 -11.741 1.131 580 HE22 GLN 70 2HE2 GLN 70 4.359 -12.439 -0.436 581 H THR 71 H THR 71 5.154 -5.787 1.216 582 HA THR 71 HA THR 71 2.901 -5.070 -0.345 583 HB THR 71 HB THR 71 3.045 -4.607 2.105 584 HG1 THR 71 HG1 THR 71 2.514 -2.324 0.465 585 HG21 THR 71 1HG2 THR 71 4.120 -2.543 2.921 586 HG22 THR 71 2HG2 THR 71 4.812 -2.254 1.325 587 HG23 THR 71 3HG2 THR 71 5.334 -3.652 2.268 588 H LEU 72 H LEU 72 6.221 -3.858 -0.222 589 HA LEU 72 HA LEU 72 5.847 -1.554 -1.821 590 HB2 LEU 72 2HB LEU 72 8.318 -3.232 -1.260 591 HB3 LEU 72 1HB LEU 72 8.374 -1.781 -2.249 592 HG LEU 72 HG LEU 72 7.578 -1.881 0.691 593 HD11 LEU 72 1HD1 LEU 72 9.662 -0.625 1.095 594 HD12 LEU 72 2HD1 LEU 72 10.085 -0.761 -0.614 595 HD13 LEU 72 3HD1 LEU 72 9.990 -2.209 0.390 596 HD21 LEU 72 1HD2 LEU 72 7.542 0.587 0.558 597 HD22 LEU 72 2HD2 LEU 72 6.320 -0.146 -0.474 598 HD23 LEU 72 3HD2 LEU 72 7.804 0.494 -1.184 599 H ASP 73 H ASP 73 6.619 -4.931 -2.693 600 HA ASP 73 HA ASP 73 6.957 -4.350 -5.503 601 HB2 ASP 73 2HB ASP 73 8.031 -6.341 -4.508 602 HB3 ASP 73 1HB ASP 73 6.453 -7.047 -4.165 603 H ASN 74 H ASN 74 4.286 -5.658 -3.553 604 HA ASN 74 HA ASN 74 2.367 -6.086 -5.574 605 HB2 ASN 74 2HB ASN 74 2.053 -5.328 -2.640 606 HB3 ASN 74 1HB ASN 74 0.680 -5.715 -3.669 607 HD21 ASN 74 1HD2 ASN 74 1.651 -7.021 -1.225 608 HD22 ASN 74 2HD2 ASN 74 1.917 -8.675 -1.658 609 H GLU 75 H GLU 75 3.174 -3.239 -3.668 610 HA GLU 75 HA GLU 75 1.120 -1.525 -4.704 611 HB2 GLU 75 2HB GLU 75 2.136 -1.300 -2.418 612 HB3 GLU 75 1HB GLU 75 3.655 -0.812 -3.163 613 HG2 GLU 75 2HG GLU 75 2.422 1.115 -4.199 614 HG3 GLU 75 1HG GLU 75 1.018 0.664 -3.238 615 H GLN 76 H GLN 76 4.500 -2.195 -5.495 616 HA GLN 76 HA GLN 76 5.009 -0.089 -7.324 617 HB2 GLN 76 2HB GLN 76 6.828 -1.530 -6.539 618 HB3 GLN 76 1HB GLN 76 6.069 -2.952 -7.242 619 HG2 GLN 76 2HG GLN 76 6.400 -1.891 -9.515 620 HG3 GLN 76 1HG GLN 76 7.345 -0.633 -8.722 621 HE21 GLN 76 1HE2 GLN 76 7.409 -4.069 -7.814 622 HE22 GLN 76 2HE2 GLN 76 9.020 -4.357 -8.352 623 H LEU 77 H LEU 77 3.735 -3.346 -7.757 624 HA LEU 77 HA LEU 77 3.180 -3.191 -10.531 625 HB2 LEU 77 2HB LEU 77 2.255 -5.027 -8.307 626 HB3 LEU 77 1HB LEU 77 1.705 -5.237 -9.961 627 HG LEU 77 HG LEU 77 4.648 -5.311 -9.164 628 HD11 LEU 77 1HD1 LEU 77 2.764 -7.660 -9.596 629 HD12 LEU 77 2HD1 LEU 77 3.483 -7.167 -8.061 630 HD13 LEU 77 3HD1 LEU 77 4.512 -7.765 -9.358 631 HD21 LEU 77 1HD2 LEU 77 4.253 -4.729 -11.517 632 HD22 LEU 77 2HD2 LEU 77 3.224 -6.153 -11.719 633 HD23 LEU 77 3HD2 LEU 77 4.950 -6.343 -11.386 634 H LEU 78 H LEU 78 1.247 -2.489 -7.638 635 HA LEU 78 HA LEU 78 -1.222 -1.879 -8.851 636 HB2 LEU 78 2HB LEU 78 0.114 -1.047 -6.271 637 HB3 LEU 78 1HB LEU 78 -1.308 -0.152 -6.772 638 HG LEU 78 HG LEU 78 -1.314 -3.175 -6.414 639 HD11 LEU 78 1HD1 LEU 78 -2.418 -2.818 -4.254 640 HD12 LEU 78 2HD1 LEU 78 -2.217 -1.068 -4.416 641 HD13 LEU 78 3HD1 LEU 78 -0.802 -2.109 -4.253 642 HD21 LEU 78 1HD2 LEU 78 -3.057 -2.324 -7.904 643 HD22 LEU 78 2HD2 LEU 78 -3.556 -1.141 -6.692 644 HD23 LEU 78 3HD2 LEU 78 -3.773 -2.865 -6.386 645 H LYS 79 H LYS 79 1.432 0.340 -7.966 646 HA LYS 79 HA LYS 79 0.325 2.681 -9.006 647 HB2 LYS 79 2HB LYS 79 3.178 1.913 -8.309 648 HB3 LYS 79 1HB LYS 79 2.795 3.515 -8.943 649 HG2 LYS 79 2HG LYS 79 1.319 3.960 -7.062 650 HG3 LYS 79 1HG LYS 79 1.538 2.321 -6.450 651 HD2 LYS 79 2HD LYS 79 3.799 4.340 -6.716 652 HD3 LYS 79 1HD LYS 79 2.866 4.101 -5.243 653 HE2 LYS 79 2HE LYS 79 3.584 1.630 -5.389 654 HE3 LYS 79 1HE LYS 79 4.759 2.166 -6.589 655 HZ1 LYS 79 1HZ LYS 79 5.609 3.739 -4.893 656 HZ2 LYS 79 2HZ LYS 79 5.784 2.113 -4.458 657 HZ3 LYS 79 3HZ LYS 79 4.558 3.048 -3.758 658 H GLY 80 H GLY 80 2.457 0.289 -10.538 659 HA2 GLY 80 2HA GLY 80 2.911 1.737 -12.961 660 HA3 GLY 80 1HA GLY 80 3.138 0.009 -12.727 661 H LEU 81 H LEU 81 0.655 -0.857 -12.093 662 HA LEU 81 HA LEU 81 -0.670 -1.177 -14.544 663 HB2 LEU 81 2HB LEU 81 -0.715 -2.741 -12.608 664 HB3 LEU 81 1HB LEU 81 -1.698 -1.615 -11.702 665 HG LEU 81 HG LEU 81 -2.729 -2.835 -14.294 666 HD11 LEU 81 1HD1 LEU 81 -3.783 -4.631 -12.972 667 HD12 LEU 81 2HD1 LEU 81 -2.948 -4.068 -11.521 668 HD13 LEU 81 3HD1 LEU 81 -2.025 -4.714 -12.879 669 HD21 LEU 81 1HD2 LEU 81 -4.038 -0.965 -13.393 670 HD22 LEU 81 2HD2 LEU 81 -4.159 -1.774 -11.830 671 HD23 LEU 81 3HD2 LEU 81 -4.939 -2.474 -13.253 672 H LEU 82 H LEU 82 -1.703 0.619 -11.669 673 HA LEU 82 HA LEU 82 -3.994 1.818 -12.739 674 HB2 LEU 82 2HB LEU 82 -2.259 2.568 -10.367 675 HB3 LEU 82 1HB LEU 82 -3.820 3.305 -10.694 676 HG LEU 82 HG LEU 82 -3.555 0.298 -10.299 677 HD11 LEU 82 1HD1 LEU 82 -4.148 0.594 -7.942 678 HD12 LEU 82 2HD1 LEU 82 -4.061 2.348 -8.123 679 HD13 LEU 82 3HD1 LEU 82 -2.606 1.367 -8.305 680 HD21 LEU 82 1HD2 LEU 82 -5.885 2.208 -9.967 681 HD22 LEU 82 2HD2 LEU 82 -5.925 0.470 -9.655 682 HD23 LEU 82 3HD2 LEU 82 -5.653 1.064 -11.293 683 H GLN 83 H GLN 83 -0.604 2.915 -12.694 684 HA GLN 83 HA GLN 83 -1.004 5.574 -13.584 685 HB2 GLN 83 2HB GLN 83 1.203 4.753 -12.789 686 HB3 GLN 83 1HB GLN 83 1.326 3.692 -14.188 687 HG2 GLN 83 2HG GLN 83 2.725 5.651 -14.498 688 HG3 GLN 83 1HG GLN 83 1.412 5.659 -15.672 689 HE21 GLN 83 1HE2 GLN 83 -0.145 7.298 -15.566 690 HE22 GLN 83 2HE2 GLN 83 0.039 8.689 -14.556 691 H GLN 84 H GLN 84 -0.375 2.566 -15.396 692 HA GLN 84 HA GLN 84 -0.645 3.637 -18.005 693 HB2 GLN 84 2HB GLN 84 0.469 1.473 -17.560 694 HB3 GLN 84 1HB GLN 84 -1.066 0.770 -17.062 695 HG2 GLN 84 2HG GLN 84 -1.954 1.110 -19.351 696 HG3 GLN 84 1HG GLN 84 -0.399 1.772 -19.853 697 HE21 GLN 84 1HE2 GLN 84 -0.799 -1.013 -17.686 698 HE22 GLN 84 2HE2 GLN 84 -0.200 -2.186 -18.797 699 H ARG 85 H ARG 85 -2.996 2.151 -15.819 700 HA ARG 85 HA ARG 85 -5.071 1.877 -17.761 701 HB2 ARG 85 2HB ARG 85 -4.844 1.383 -14.802 702 HB3 ARG 85 1HB ARG 85 -6.465 1.610 -15.446 703 HG2 ARG 85 2HG ARG 85 -5.795 -0.785 -15.283 704 HG3 ARG 85 1HG ARG 85 -6.224 -0.300 -16.924 705 HD2 ARG 85 2HD ARG 85 -3.807 -0.107 -17.478 706 HD3 ARG 85 1HD ARG 85 -3.404 -0.613 -15.838 707 HE ARG 85 HE ARG 85 -4.483 -2.779 -16.374 708 HH11 ARG 85 1HH1 ARG 85 -3.370 -0.797 -19.065 709 HH12 ARG 85 2HH1 ARG 85 -3.164 -2.156 -20.119 710 HH21 ARG 85 1HH2 ARG 85 -4.164 -4.525 -17.737 711 HH22 ARG 85 2HH2 ARG 85 -3.617 -4.278 -19.364 712 H LEU 86 H LEU 86 -4.474 4.229 -15.118 713 HA LEU 86 HA LEU 86 -6.754 5.860 -15.654 714 HB2 LEU 86 2HB LEU 86 -4.121 6.488 -14.271 715 HB3 LEU 86 1HB LEU 86 -5.429 7.655 -14.390 716 HG LEU 86 HG LEU 86 -5.684 4.954 -13.001 717 HD11 LEU 86 1HD1 LEU 86 -5.528 6.150 -10.885 718 HD12 LEU 86 2HD1 LEU 86 -5.268 7.678 -11.727 719 HD13 LEU 86 3HD1 LEU 86 -4.064 6.389 -11.829 720 HD21 LEU 86 1HD2 LEU 86 -7.836 5.797 -13.813 721 HD22 LEU 86 2HD2 LEU 86 -7.558 7.349 -13.020 722 HD23 LEU 86 3HD2 LEU 86 -7.767 5.887 -12.054 723 H ASP 87 H ASP 87 -3.475 5.783 -16.959 724 HA ASP 87 HA ASP 87 -3.460 8.155 -18.490 725 HB2 ASP 87 2HB ASP 87 -1.420 6.839 -18.131 726 HB3 ASP 87 1HB ASP 87 -2.101 5.453 -18.961 727 H GLU 88 H GLU 88 -4.417 4.866 -19.387 728 HA GLU 88 HA GLU 88 -5.295 5.329 -22.014 729 HB2 GLU 88 2HB GLU 88 -6.044 3.148 -20.015 730 HB3 GLU 88 1HB GLU 88 -6.452 3.099 -21.728 731 HG2 GLU 88 2HG GLU 88 -4.115 2.982 -22.359 732 HG3 GLU 88 1HG GLU 88 -3.601 3.260 -20.699 733 H LEU 89 H LEU 89 -7.148 4.994 -18.992 734 HA LEU 89 HA LEU 89 -9.722 5.473 -19.931 735 HB2 LEU 89 2HB LEU 89 -8.514 5.952 -17.176 736 HB3 LEU 89 1HB LEU 89 -10.232 6.102 -17.503 737 HG LEU 89 HG LEU 89 -8.652 3.522 -17.891 738 HD11 LEU 89 1HD1 LEU 89 -9.694 2.717 -15.817 739 HD12 LEU 89 2HD1 LEU 89 -10.474 4.281 -15.584 740 HD13 LEU 89 3HD1 LEU 89 -8.718 4.153 -15.506 741 HD21 LEU 89 1HD2 LEU 89 -10.636 3.660 -19.325 742 HD22 LEU 89 2HD2 LEU 89 -11.643 4.042 -17.928 743 HD23 LEU 89 3HD2 LEU 89 -10.873 2.459 -18.056 744 H SER 90 H SER 90 -7.321 7.836 -18.702 745 HA SER 90 HA SER 90 -9.019 10.118 -18.913 746 HB2 SER 90 2HB SER 90 -5.972 9.959 -18.884 747 HB3 SER 90 1HB SER 90 -6.898 11.463 -18.778 748 HG SER 90 HG SER 90 -6.443 9.540 -16.868 749 H SER 91 H SER 91 -6.785 8.575 -21.186 750 HA SER 91 HA SER 91 -7.042 10.416 -23.322 751 HB2 SER 91 2HB SER 91 -5.327 8.586 -23.186 752 HB3 SER 91 1HB SER 91 -6.593 7.404 -23.509 753 HG SER 91 HG SER 91 -5.314 8.162 -25.370 754 H LEU 92 H LEU 92 -9.060 7.691 -22.272 755 HA LEU 92 HA LEU 92 -10.861 7.648 -24.505 756 HB2 LEU 92 2HB LEU 92 -11.390 6.620 -21.686 757 HB3 LEU 92 1HB LEU 92 -12.245 6.152 -23.149 758 HG LEU 92 HG LEU 92 -9.387 5.474 -22.418 759 HD11 LEU 92 1HD1 LEU 92 -10.150 3.140 -22.407 760 HD12 LEU 92 2HD1 LEU 92 -11.803 3.688 -22.692 761 HD13 LEU 92 3HD1 LEU 92 -10.970 4.130 -21.199 762 HD21 LEU 92 1HD2 LEU 92 -9.265 4.168 -24.487 763 HD22 LEU 92 2HD2 LEU 92 -9.451 5.888 -24.798 764 HD23 LEU 92 3HD2 LEU 92 -10.834 4.803 -24.985 765 H ILE 93 H ILE 93 -10.790 9.293 -21.411 766 HA ILE 93 HA ILE 93 -13.447 10.337 -21.386 767 HB ILE 93 HB ILE 93 -10.914 11.091 -19.849 768 HG12 ILE 93 2HG1 ILE 93 -13.461 9.729 -18.844 769 HG13 ILE 93 1HG1 ILE 93 -12.058 8.841 -19.420 770 HG21 ILE 93 1HG2 ILE 93 -13.700 12.224 -19.388 771 HG22 ILE 93 2HG2 ILE 93 -12.299 13.121 -19.971 772 HG23 ILE 93 3HG2 ILE 93 -12.308 12.473 -18.331 773 HD11 ILE 93 1HD1 ILE 93 -12.168 10.657 -17.020 774 HD12 ILE 93 2HD1 ILE 93 -10.715 9.852 -17.619 775 HD13 ILE 93 3HD1 ILE 93 -12.073 8.895 -17.030 776 H GLY 94 H GLY 94 -10.284 11.654 -22.325 777 HA2 GLY 94 2HA GLY 94 -11.332 13.243 -24.434 778 HA3 GLY 94 1HA GLY 94 -10.984 14.255 -23.035 779 H GLN 95 H GLN 95 -8.717 13.620 -22.009 780 HA GLN 95 HA GLN 95 -6.666 13.266 -24.056 781 HB2 GLN 95 2HB GLN 95 -5.561 15.396 -23.549 782 HB3 GLN 95 1HB GLN 95 -7.194 15.697 -24.126 783 HG2 GLN 95 2HG GLN 95 -7.968 16.171 -21.863 784 HG3 GLN 95 1HG GLN 95 -6.396 15.740 -21.189 785 HE21 GLN 95 1HE2 GLN 95 -7.855 18.263 -20.944 786 HE22 GLN 95 2HE2 GLN 95 -6.806 19.485 -21.573 787 H VAL 96 H VAL 96 -4.636 12.859 -23.190 788 HA VAL 96 HA VAL 96 -4.293 12.800 -20.265 789 HB VAL 96 HB VAL 96 -4.733 10.459 -20.998 790 HG11 VAL 96 1HG1 VAL 96 -2.257 10.716 -22.745 791 HG12 VAL 96 2HG1 VAL 96 -3.919 10.564 -23.316 792 HG13 VAL 96 3HG1 VAL 96 -3.164 9.230 -22.445 793 HG21 VAL 96 1HG2 VAL 96 -3.280 10.850 -19.066 794 HG22 VAL 96 2HG2 VAL 96 -1.862 10.933 -20.115 795 HG23 VAL 96 3HG2 VAL 96 -2.751 9.417 -19.949 796 H LEU 97 H LEU 97 -2.225 13.368 -19.597 797 HA LEU 97 HA LEU 97 -0.499 14.616 -21.625 798 HB2 LEU 97 2HB LEU 97 -0.796 15.076 -18.641 799 HB3 LEU 97 1HB LEU 97 0.584 15.691 -19.538 800 HG LEU 97 HG LEU 97 -0.950 17.513 -19.361 801 HD11 LEU 97 1HD1 LEU 97 -1.261 16.373 -22.167 802 HD12 LEU 97 2HD1 LEU 97 0.125 17.290 -21.576 803 HD13 LEU 97 3HD1 LEU 97 -1.450 18.067 -21.701 804 HD21 LEU 97 1HD2 LEU 97 -3.177 15.714 -20.408 805 HD22 LEU 97 2HD2 LEU 97 -3.320 17.445 -20.093 806 HD23 LEU 97 3HD2 LEU 97 -3.021 16.333 -18.760 807 H PHE 98 H PHE 98 1.780 14.391 -21.442 808 HA PHE 98 HA PHE 98 2.405 11.586 -21.494 809 HB2 PHE 98 2HB PHE 98 4.291 13.928 -21.997 810 HB3 PHE 98 1HB PHE 98 4.477 12.271 -22.567 811 HD1 PHE 98 HD1 PHE 98 2.746 15.472 -23.103 812 HD2 PHE 98 HD2 PHE 98 3.092 11.435 -24.471 813 HE1 PHE 98 HE1 PHE 98 1.493 16.052 -25.136 814 HE2 PHE 98 HE2 PHE 98 1.845 12.031 -26.509 815 HZ PHE 98 HZ PHE 98 1.034 14.337 -26.833 816 H GLN 99 H GLN 99 3.226 14.303 -19.450 817 HA GLN 99 HA GLN 99 5.064 13.043 -17.724 818 HB2 GLN 99 2HB GLN 99 4.336 14.761 -16.032 819 HB3 GLN 99 1HB GLN 99 4.825 15.438 -17.575 820 HG2 GLN 99 2HG GLN 99 2.552 15.909 -18.184 821 HG3 GLN 99 1HG GLN 99 1.926 14.999 -16.812 822 HE21 GLN 99 1HE2 GLN 99 1.372 17.738 -17.511 823 HE22 GLN 99 2HE2 GLN 99 1.875 18.713 -16.179 824 H GLY 100 H GLY 100 4.751 11.260 -16.592 825 HA2 GLY 100 2HA GLY 100 2.342 9.858 -16.291 826 HA3 GLY 100 1HA GLY 100 3.827 9.530 -15.421 827 HA PRO 101 HA PRO 101 2.029 11.042 -11.632 828 HB2 PRO 101 2HB PRO 101 3.882 12.598 -10.405 829 HB3 PRO 101 1HB PRO 101 4.194 10.885 -10.747 830 HG2 PRO 101 2HG PRO 101 5.101 13.298 -12.275 831 HG3 PRO 101 1HG PRO 101 6.029 11.862 -11.793 832 HD2 PRO 101 2HD PRO 101 4.964 12.179 -14.298 833 HD3 PRO 101 1HD PRO 101 5.228 10.588 -13.550 834 H SER 102 H SER 102 1.477 12.882 -14.035 835 HA SER 102 HA SER 102 1.168 15.550 -13.316 836 HB2 SER 102 2HB SER 102 -0.756 15.458 -15.026 837 HB3 SER 102 1HB SER 102 0.811 14.888 -15.591 838 HG SER 102 HG SER 102 0.017 12.969 -15.861 839 H ALA 103 H ALA 103 -1.060 12.822 -12.926 840 HA ALA 103 HA ALA 103 -2.652 12.248 -11.455 841 HB1 ALA 103 1HB ALA 103 -1.234 13.194 -9.661 842 HB2 ALA 103 2HB ALA 103 -2.955 13.382 -9.313 843 HB3 ALA 103 3HB ALA 103 -2.011 14.762 -9.882 844 H GLY 104 H GLY 104 -2.951 15.824 -11.728 845 HA2 GLY 104 2HA GLY 104 -5.820 15.737 -11.902 846 HA3 GLY 104 1HA GLY 104 -4.796 17.148 -12.036 847 H LEU 105 H LEU 105 -5.461 14.193 -13.906 848 HA LEU 105 HA LEU 105 -5.170 15.505 -16.477 849 HB2 LEU 105 2HB LEU 105 -6.043 12.686 -15.700 850 HB3 LEU 105 1HB LEU 105 -5.762 13.219 -17.350 851 HG LEU 105 HG LEU 105 -3.604 13.177 -15.197 852 HD11 LEU 105 1HD1 LEU 105 -4.312 10.879 -15.671 853 HD12 LEU 105 2HD1 LEU 105 -2.708 11.174 -16.337 854 HD13 LEU 105 3HD1 LEU 105 -4.114 11.150 -17.405 855 HD21 LEU 105 1HD2 LEU 105 -3.428 13.596 -18.199 856 HD22 LEU 105 2HD2 LEU 105 -2.054 13.483 -17.096 857 HD23 LEU 105 3HD2 LEU 105 -3.185 14.825 -16.954 858 H VAL 106 H VAL 106 -7.730 14.272 -14.412 859 HA VAL 106 HA VAL 106 -9.816 15.476 -16.132 860 HB VAL 106 HB VAL 106 -10.109 13.125 -14.195 861 HG11 VAL 106 1HG1 VAL 106 -12.387 12.870 -15.116 862 HG12 VAL 106 2HG1 VAL 106 -12.156 14.311 -16.111 863 HG13 VAL 106 3HG1 VAL 106 -12.184 14.448 -14.352 864 HG21 VAL 106 1HG2 VAL 106 -8.831 12.497 -16.217 865 HG22 VAL 106 2HG2 VAL 106 -10.140 13.098 -17.239 866 HG23 VAL 106 3HG2 VAL 106 -10.409 11.708 -16.183 867 HA PRO 107 HA PRO 107 -10.238 18.065 -12.328 868 HB2 PRO 107 2HB PRO 107 -11.654 20.082 -13.485 869 HB3 PRO 107 1HB PRO 107 -9.910 19.904 -13.764 870 HG2 PRO 107 2HG PRO 107 -12.190 19.032 -15.513 871 HG3 PRO 107 1HG PRO 107 -10.707 19.908 -15.959 872 HD2 PRO 107 2HD PRO 107 -10.965 17.219 -16.314 873 HD3 PRO 107 1HD PRO 107 -9.402 17.986 -15.946 874 H ARG 108 H ARG 108 -12.804 19.527 -12.198 875 HA ARG 108 HA ARG 108 -14.558 17.564 -11.198 876 HB2 ARG 108 2HB ARG 108 -14.964 20.462 -11.979 877 HB3 ARG 108 1HB ARG 108 -16.320 19.493 -11.428 878 HG2 ARG 108 2HG ARG 108 -13.808 19.872 -9.783 879 HG3 ARG 108 1HG ARG 108 -15.178 20.975 -9.702 880 HD2 ARG 108 2HD ARG 108 -15.479 19.525 -7.877 881 HD3 ARG 108 1HD ARG 108 -16.596 18.898 -9.088 882 HE ARG 108 HE ARG 108 -14.598 17.286 -9.568 883 HH11 ARG 108 1HH1 ARG 108 -15.694 18.377 -6.386 884 HH12 ARG 108 2HH1 ARG 108 -15.120 16.956 -5.571 885 HH21 ARG 108 1HH2 ARG 108 -13.800 15.487 -8.525 886 HH22 ARG 108 2HH2 ARG 108 -14.020 15.282 -6.815 887 H GLY 109 H GLY 109 -14.831 15.924 -12.748 888 HA2 GLY 109 2HA GLY 109 -15.957 16.336 -15.358 889 HA3 GLY 109 1HA GLY 109 -15.839 14.813 -14.492 890 H SER 110 H SER 110 -17.458 14.236 -12.996 891 HA SER 110 HA SER 110 -19.736 15.721 -12.306 892 HB2 SER 110 2HB SER 110 -21.462 14.471 -13.674 893 HB3 SER 110 1HB SER 110 -20.443 15.549 -14.625 894 HG SER 110 HG SER 110 -19.802 13.897 -15.727 895 H GLY 111 H GLY 111 -19.273 12.345 -13.352 896 HA2 GLY 111 2HA GLY 111 -19.200 11.315 -10.634 897 HA3 GLY 111 1HA GLY 111 -20.678 10.941 -11.524 898 H GLY 112 H GLY 112 -19.426 8.757 -10.823 899 HA2 GLY 112 2HA GLY 112 -18.440 6.799 -11.520 900 HA3 GLY 112 1HA GLY 112 -18.643 7.390 -13.164 901 H ILE 113 H ILE 113 -16.993 8.574 -14.137 902 HA ILE 113 HA ILE 113 -14.318 7.830 -13.640 903 HB ILE 113 HB ILE 113 -13.709 9.517 -15.366 904 HG12 ILE 113 2HG1 ILE 113 -16.670 10.291 -15.357 905 HG13 ILE 113 1HG1 ILE 113 -15.390 11.273 -14.663 906 HG21 ILE 113 1HG2 ILE 113 -16.146 7.856 -16.111 907 HG22 ILE 113 2HG2 ILE 113 -14.470 7.297 -16.095 908 HG23 ILE 113 3HG2 ILE 113 -14.975 8.537 -17.243 909 HD11 ILE 113 1HD1 ILE 113 -15.724 10.580 -17.572 910 HD12 ILE 113 2HD1 ILE 113 -14.404 11.535 -16.891 911 HD13 ILE 113 3HD1 ILE 113 -16.062 12.127 -16.800 912 H GLU 114 H GLU 114 -16.213 10.530 -12.494 913 HA GLU 114 HA GLU 114 -14.280 12.366 -11.675 914 HB2 GLU 114 2HB GLU 114 -16.766 12.714 -11.600 915 HB3 GLU 114 1HB GLU 114 -16.865 11.574 -10.266 916 HG2 GLU 114 2HG GLU 114 -17.012 13.696 -9.274 917 HG3 GLU 114 1HG GLU 114 -15.370 13.152 -8.949 918 H GLY 115 H GLY 115 -15.905 9.865 -9.669 919 HA2 GLY 115 2HA GLY 115 -14.228 9.991 -7.414 920 HA3 GLY 115 1HA GLY 115 -15.286 8.648 -7.824 921 H MET1001 H MET 1 -14.173 7.835 -10.220 922 HA MET1001 HA MET 1 -12.206 6.004 -9.601 923 HB2 MET1001 2HB MET 1 -13.541 5.945 -11.684 924 HB3 MET1001 1HB MET 1 -12.728 7.387 -12.266 925 HG2 MET1001 2HG MET 1 -10.558 5.971 -12.126 926 HG3 MET1001 1HG MET 1 -11.646 4.585 -12.042 927 HE1 MET1001 1HE MET 1 -14.079 5.747 -13.956 928 HE2 MET1001 2HE MET 1 -13.497 4.080 -14.007 929 HE3 MET1001 3HE MET 1 -13.597 5.027 -15.491 930 H THR1002 H THR 2 -11.709 9.120 -11.292 931 HA THR1002 HA THR 2 -8.883 8.789 -11.429 932 HB THR1002 HB THR 2 -8.853 11.127 -12.311 933 HG1 THR1002 HG1 THR 2 -11.614 11.277 -12.475 934 HG21 THR1002 1HG2 THR 2 -10.961 9.330 -13.576 935 HG22 THR1002 2HG2 THR 2 -9.222 9.232 -13.859 936 HG23 THR1002 3HG2 THR 2 -10.122 10.656 -14.382 937 H THR1003 H THR 3 -10.967 11.063 -9.487 938 HA THR1003 HA THR 3 -8.824 12.404 -8.259 939 HB THR1003 HB THR 3 -11.118 13.330 -8.200 940 HG1 THR1003 HG1 THR 3 -9.569 14.086 -6.685 941 HG21 THR1003 1HG2 THR 3 -12.425 11.305 -7.653 942 HG22 THR1003 2HG2 THR 3 -12.772 12.616 -6.528 943 HG23 THR1003 3HG2 THR 3 -11.726 11.285 -6.032 944 H ARG1004 H ARG 4 -10.650 9.559 -7.093 945 HA ARG1004 HA ARG 4 -9.316 9.239 -4.630 946 HB2 ARG1004 2HB ARG 4 -10.760 7.246 -6.406 947 HB3 ARG1004 1HB ARG 4 -10.028 6.767 -4.879 948 HG2 ARG1004 2HG ARG 4 -11.486 8.377 -3.691 949 HG3 ARG1004 1HG ARG 4 -12.251 8.795 -5.226 950 HD2 ARG1004 2HD ARG 4 -13.144 6.575 -5.477 951 HD3 ARG1004 1HD ARG 4 -12.188 5.964 -4.123 952 HE ARG1004 HE ARG 4 -14.597 7.632 -3.977 953 HH11 ARG1004 1HH1 ARG 4 -12.084 5.864 -2.234 954 HH12 ARG1004 2HH1 ARG 4 -12.974 5.875 -0.740 955 HH21 ARG1004 1HH2 ARG 4 -15.741 7.586 -2.044 956 HH22 ARG1004 2HH2 ARG 4 -15.046 6.854 -0.637 957 H LEU1005 H LEU 5 -8.788 7.543 -7.764 958 HA LEU1005 HA LEU 5 -6.614 6.009 -6.796 959 HB2 LEU1005 2HB LEU 5 -7.607 6.544 -9.608 960 HB3 LEU1005 1HB LEU 5 -6.195 5.547 -9.303 961 HG LEU1005 HG LEU 5 -9.014 4.947 -8.311 962 HD11 LEU1005 1HD1 LEU 5 -8.952 3.074 -9.921 963 HD12 LEU1005 2HD1 LEU 5 -7.371 3.618 -10.496 964 HD13 LEU1005 3HD1 LEU 5 -8.795 4.633 -10.733 965 HD21 LEU1005 1HD2 LEU 5 -8.089 2.774 -7.569 966 HD22 LEU1005 2HD2 LEU 5 -7.331 4.119 -6.720 967 HD23 LEU1005 3HD2 LEU 5 -6.467 3.304 -8.026 968 H THR1006 H THR 6 -6.641 9.260 -8.139 969 HA THR1006 HA THR 6 -3.782 9.292 -8.690 970 HB THR1006 HB THR 6 -4.073 11.768 -8.995 971 HG1 THR1006 HG1 THR 6 -6.852 11.329 -8.641 972 HG21 THR1006 1HG2 THR 6 -6.087 10.044 -10.484 973 HG22 THR1006 2HG2 THR 6 -4.399 10.298 -10.937 974 HG23 THR1006 3HG2 THR 6 -5.542 11.640 -10.993 975 H ARG1007 H ARG 7 -5.897 10.614 -6.089 976 HA ARG1007 HA ARG 7 -3.828 11.614 -4.405 977 HB2 ARG1007 2HB ARG 7 -6.566 10.513 -3.640 978 HB3 ARG1007 1HB ARG 7 -5.521 11.441 -2.563 979 HG2 ARG1007 2HG ARG 7 -5.691 13.391 -4.065 980 HG3 ARG1007 1HG ARG 7 -6.721 12.462 -5.158 981 HD2 ARG1007 2HD ARG 7 -8.121 13.899 -3.795 982 HD3 ARG1007 1HD ARG 7 -8.391 12.226 -3.311 983 HE ARG1007 HE ARG 7 -7.146 12.612 -1.320 984 HH11 ARG1007 1HH1 ARG 7 -7.799 15.580 -3.097 985 HH12 ARG1007 2HH1 ARG 7 -7.502 16.602 -1.724 986 HH21 ARG1007 1HH2 ARG 7 -6.729 13.945 0.445 987 HH22 ARG1007 2HH2 ARG 7 -6.890 15.668 0.293 988 H TRP1008 H TRP 8 -5.247 8.494 -4.821 989 HA TRP1008 HA TRP 8 -4.041 6.972 -2.795 990 HB2 TRP1008 2HB TRP 8 -5.942 6.089 -3.877 991 HB3 TRP1008 1HB TRP 8 -5.333 6.449 -5.475 992 HD1 TRP1008 HD1 TRP 8 -3.891 4.609 -6.685 993 HE1 TRP1008 HE1 TRP 8 -3.592 2.110 -6.230 994 HE3 TRP1008 HE3 TRP 8 -5.646 4.393 -1.892 995 HZ2 TRP1008 HZ2 TRP 8 -4.064 0.267 -4.209 996 HZ3 TRP1008 HZ3 TRP 8 -5.700 2.209 -0.763 997 HH2 TRP1008 HH2 TRP 8 -4.919 0.197 -1.897 998 H LEU1009 H LEU 9 -3.069 7.422 -6.260 999 HA LEU1009 HA LEU 9 -0.746 5.821 -6.141 1000 HB2 LEU1009 2HB LEU 9 -1.472 8.072 -8.053 1001 HB3 LEU1009 1HB LEU 9 -0.018 7.107 -8.236 1002 HG LEU1009 HG LEU 9 -2.882 6.120 -8.482 1003 HD11 LEU1009 1HD1 LEU 9 -2.099 7.338 -10.457 1004 HD12 LEU1009 2HD1 LEU 9 -2.303 5.625 -10.811 1005 HD13 LEU1009 3HD1 LEU 9 -0.683 6.288 -10.565 1006 HD21 LEU1009 1HD2 LEU 9 -1.558 4.408 -7.364 1007 HD22 LEU1009 2HD2 LEU 9 -0.341 4.492 -8.639 1008 HD23 LEU1009 3HD2 LEU 9 -1.970 3.915 -9.005 1009 H THR1010 H THR 10 -1.160 9.335 -5.541 1010 HA THR1010 HA THR 10 1.675 9.778 -5.231 1011 HB THR1010 HB THR 10 0.246 11.661 -5.910 1012 HG1 THR1010 HG1 THR 10 2.019 11.753 -3.804 1013 HG21 THR1010 1HG2 THR 10 -1.179 12.853 -4.283 1014 HG22 THR1010 2HG2 THR 10 -0.912 11.565 -3.105 1015 HG23 THR1010 3HG2 THR 10 -1.781 11.224 -4.603 1016 H ALA1011 H ALA 11 -0.979 8.957 -3.004 1017 HA ALA1011 HA ALA 11 0.527 9.270 -0.582 1018 HB1 ALA1011 1HB ALA 11 -1.897 7.524 -1.122 1019 HB2 ALA1011 2HB ALA 11 -1.929 9.206 -0.595 1020 HB3 ALA1011 3HB ALA 11 -1.274 7.966 0.474 1021 H LEU1012 H LEU 12 0.131 6.649 -2.884 1022 HA LEU1012 HA LEU 12 1.368 4.548 -1.396 1023 HB2 LEU1012 2HB LEU 12 1.049 4.845 -4.417 1024 HB3 LEU1012 1HB LEU 12 1.557 3.385 -3.594 1025 HG LEU1012 HG LEU 12 -1.201 4.613 -3.707 1026 HD11 LEU1012 1HD1 LEU 12 -1.845 2.369 -4.490 1027 HD12 LEU1012 2HD1 LEU 12 -0.169 1.840 -4.361 1028 HD13 LEU1012 3HD1 LEU 12 -0.612 3.096 -5.517 1029 HD21 LEU1012 1HD2 LEU 12 -1.973 2.933 -2.082 1030 HD22 LEU1012 2HD2 LEU 12 -0.885 4.117 -1.365 1031 HD23 LEU1012 3HD2 LEU 12 -0.295 2.498 -1.751 1032 H ASP1013 H ASP 13 2.448 6.742 -3.954 1033 HA ASP1013 HA ASP 13 5.114 5.862 -4.237 1034 HB2 ASP1013 2HB ASP 13 3.801 7.347 -5.840 1035 HB3 ASP1013 1HB ASP 13 4.041 8.685 -4.727 1036 H ASN1014 H ASN 14 3.625 8.369 -2.231 1037 HA ASN1014 HA ASN 14 5.915 9.403 -0.962 1038 HB2 ASN1014 2HB ASN 14 3.855 10.658 -0.887 1039 HB3 ASN1014 1HB ASN 14 2.989 9.332 -0.117 1040 HD21 ASN1014 1HD2 ASN 14 3.121 9.087 2.077 1041 HD22 ASN1014 2HD2 ASN 14 3.915 10.203 3.130 1042 H PHE1015 H PHE 15 3.687 6.761 0.002 1043 HA PHE1015 HA PHE 15 4.845 6.068 2.463 1044 HB2 PHE1015 2HB PHE 15 2.752 5.062 2.009 1045 HB3 PHE1015 1HB PHE 15 3.243 4.514 0.412 1046 HD1 PHE1015 HD1 PHE 15 3.835 2.272 0.132 1047 HD2 PHE1015 HD2 PHE 15 4.003 3.886 4.069 1048 HE1 PHE1015 HE1 PHE 15 4.327 0.034 1.016 1049 HE2 PHE1015 HE2 PHE 15 4.501 1.643 4.960 1050 HZ PHE1015 HZ PHE 15 4.658 -0.291 3.432 1051 H GLU1016 H GLU 16 5.402 4.623 -0.760 1052 HA GLU1016 HA GLU 16 7.399 2.823 -0.187 1053 HB2 GLU1016 2HB GLU 16 6.259 2.989 -2.379 1054 HB3 GLU1016 1HB GLU 16 7.107 4.495 -2.720 1055 HG2 GLU1016 2HG GLU 16 9.281 3.204 -2.606 1056 HG3 GLU1016 1HG GLU 16 8.329 1.727 -2.457 1057 H ALA1017 H ALA 17 7.764 6.247 -1.029 1058 HA ALA1017 HA ALA 17 10.578 6.339 -1.113 1059 HB1 ALA1017 1HB ALA 17 10.314 8.769 -0.988 1060 HB2 ALA1017 2HB ALA 17 8.627 8.571 -0.498 1061 HB3 ALA1017 3HB ALA 17 9.149 8.055 -2.103 1062 H LYS1018 H LYS 18 8.389 7.489 1.479 1063 HA LYS1018 HA LYS 18 10.392 8.226 3.319 1064 HB2 LYS1018 2HB LYS 18 7.500 7.439 3.854 1065 HB3 LYS1018 1HB LYS 18 8.550 8.253 5.001 1066 HG2 LYS1018 2HG LYS 18 7.561 9.396 2.372 1067 HG3 LYS1018 1HG LYS 18 6.982 9.811 3.988 1068 HD2 LYS1018 2HD LYS 18 9.260 10.658 4.559 1069 HD3 LYS1018 1HD LYS 18 9.781 10.320 2.905 1070 HE2 LYS1018 2HE LYS 18 7.630 12.287 3.751 1071 HE3 LYS1018 1HE LYS 18 9.239 12.687 3.151 1072 HZ1 LYS1018 1HZ LYS 18 7.617 12.921 1.418 1073 HZ2 LYS1018 2HZ LYS 18 7.087 11.331 1.626 1074 HZ3 LYS1018 3HZ LYS 18 8.645 11.628 1.043 1075 H MET1019 H MET 19 8.742 5.158 2.781 1076 HA MET1019 HA MET 19 9.701 4.002 5.256 1077 HB2 MET1019 2HB MET 19 8.311 2.196 4.884 1078 HB3 MET1019 1HB MET 19 7.435 3.485 4.095 1079 HG2 MET1019 2HG MET 19 7.560 2.484 2.058 1080 HG3 MET1019 1HG MET 19 9.239 1.996 2.278 1081 HE1 MET1019 1HE MET 19 8.727 -1.133 4.640 1082 HE2 MET1019 2HE MET 19 8.752 0.530 5.212 1083 HE3 MET1019 3HE MET 19 9.908 0.000 3.986 1084 H ALA1020 H ALA 20 10.681 3.995 1.872 1085 HA ALA1020 HA ALA 20 12.865 2.147 2.250 1086 HB1 ALA1020 1HB ALA 20 12.515 4.305 0.139 1087 HB2 ALA1020 2HB ALA 20 11.971 2.633 0.010 1088 HB3 ALA1020 3HB ALA 20 13.696 2.987 0.094 1089 H LEU1021 H LEU 21 12.336 5.525 2.904 1090 HA LEU1021 HA LEU 21 15.106 6.228 3.334 1091 HB2 LEU1021 2HB LEU 21 12.531 7.693 4.047 1092 HB3 LEU1021 1HB LEU 21 14.132 8.339 4.355 1093 HG LEU1021 HG LEU 21 12.924 7.788 1.617 1094 HD11 LEU1021 1HD1 LEU 21 12.980 10.226 1.321 1095 HD12 LEU1021 2HD1 LEU 21 13.606 10.424 2.960 1096 HD13 LEU1021 3HD1 LEU 21 11.985 9.775 2.706 1097 HD21 LEU1021 1HD2 LEU 21 15.309 7.311 1.545 1098 HD22 LEU1021 2HD2 LEU 21 15.676 8.866 2.293 1099 HD23 LEU1021 3HD2 LEU 21 14.965 8.807 0.677 1100 H LEU1022 H LEU 22 12.541 4.836 5.302 1101 HA LEU1022 HA LEU 22 13.254 5.295 7.915 1102 HB2 LEU1022 2HB LEU 22 12.472 2.646 6.640 1103 HB3 LEU1022 1HB LEU 22 12.615 2.840 8.379 1104 HG LEU1022 HG LEU 22 10.632 4.333 6.614 1105 HD11 LEU1022 1HD1 LEU 22 10.158 2.018 8.522 1106 HD12 LEU1022 2HD1 LEU 22 10.073 1.949 6.760 1107 HD13 LEU1022 3HD1 LEU 22 8.911 2.921 7.656 1108 HD21 LEU1022 1HD2 LEU 22 11.246 5.642 8.582 1109 HD22 LEU1022 2HD2 LEU 22 10.876 4.270 9.630 1110 HD23 LEU1022 3HD2 LEU 22 9.589 5.051 8.705 1111 HA PRO1023 HA PRO 23 17.522 3.502 7.966 1112 HB2 PRO1023 2HB PRO 23 18.558 5.019 9.946 1113 HB3 PRO1023 1HB PRO 23 18.267 5.713 8.336 1114 HG2 PRO1023 2HG PRO 23 16.599 5.958 10.813 1115 HG3 PRO1023 1HG PRO 23 17.060 7.209 9.639 1116 HD2 PRO1023 2HD PRO 23 14.625 5.904 9.609 1117 HD3 PRO1023 1HD PRO 23 15.364 6.660 8.187 1118 H ALA1024 H ALA 24 14.890 3.357 10.025 1119 HA ALA1024 HA ALA 24 15.623 0.950 11.318 1120 HB1 ALA1024 1HB ALA 24 16.887 2.450 12.823 1121 HB2 ALA1024 2HB ALA 24 15.519 1.730 13.672 1122 HB3 ALA1024 3HB ALA 24 15.431 3.405 13.117 1123 H VAL1025 H VAL 25 13.729 0.143 10.622 1124 HA VAL1025 HA VAL 25 11.246 1.548 10.604 1125 HB VAL1025 HB VAL 25 11.730 -0.169 8.921 1126 HG11 VAL1025 1HG1 VAL 25 11.695 -2.584 9.376 1127 HG12 VAL1025 2HG1 VAL 25 11.580 -2.265 11.111 1128 HG13 VAL1025 3HG1 VAL 25 13.022 -1.782 10.218 1129 HG21 VAL1025 1HG2 VAL 25 9.299 -0.905 10.590 1130 HG22 VAL1025 2HG2 VAL 25 9.545 -1.325 8.896 1131 HG23 VAL1025 3HG2 VAL 25 9.383 0.364 9.370 Start of MODEL 8 1 H1 MET 1 1H MET 1 4.291 -5.639 25.459 2 H2 MET 1 2H MET 1 5.122 -7.062 25.827 3 H3 MET 1 3H MET 1 3.548 -7.137 25.212 4 HA MET 1 HA MET 1 5.871 -6.028 23.769 5 HB2 MET 1 2HB MET 1 5.831 -8.126 22.434 6 HB3 MET 1 1HB MET 1 6.202 -8.415 24.123 7 HG2 MET 1 2HG MET 1 4.774 -10.166 23.639 8 HG3 MET 1 1HG MET 1 3.652 -8.990 24.319 9 HE1 MET 1 1HE MET 1 4.083 -9.932 19.811 10 HE2 MET 1 2HE MET 1 4.947 -10.787 21.086 11 HE3 MET 1 3HE MET 1 5.346 -9.107 20.726 12 H THR 2 H THR 2 3.303 -4.788 24.214 13 HA THR 2 HA THR 2 1.384 -5.354 22.267 14 HB THR 2 HB THR 2 0.877 -4.066 24.336 15 HG1 THR 2 HG1 THR 2 -0.812 -3.595 23.176 16 HG21 THR 2 1HG2 THR 2 1.230 -1.623 24.420 17 HG22 THR 2 2HG2 THR 2 2.170 -1.693 22.928 18 HG23 THR 2 3HG2 THR 2 2.773 -2.482 24.386 19 H SER 3 H SER 3 4.141 -3.075 22.125 20 HA SER 3 HA SER 3 3.321 -1.880 19.633 21 HB2 SER 3 2HB SER 3 6.020 -1.777 21.049 22 HB3 SER 3 1HB SER 3 5.509 -0.727 19.721 23 HG SER 3 HG SER 3 3.696 -0.149 21.189 24 H THR 4 H THR 4 5.394 -4.557 20.569 25 HA THR 4 HA THR 4 6.681 -5.085 18.113 26 HB THR 4 HB THR 4 5.888 -6.958 20.390 27 HG1 THR 4 HG1 THR 4 7.874 -6.532 21.180 28 HG21 THR 4 1HG2 THR 4 7.818 -7.495 18.100 29 HG22 THR 4 2HG2 THR 4 6.278 -8.310 18.373 30 HG23 THR 4 3HG2 THR 4 7.603 -8.529 19.516 31 H VAL 5 H VAL 5 3.782 -6.658 19.546 32 HA VAL 5 HA VAL 5 3.079 -8.089 17.202 33 HB VAL 5 HB VAL 5 2.362 -8.770 19.481 34 HG11 VAL 5 1HG1 VAL 5 0.385 -6.481 19.354 35 HG12 VAL 5 2HG1 VAL 5 1.787 -6.591 20.420 36 HG13 VAL 5 3HG1 VAL 5 0.453 -7.731 20.604 37 HG21 VAL 5 1HG2 VAL 5 1.204 -9.725 17.534 38 HG22 VAL 5 2HG2 VAL 5 0.024 -8.413 17.569 39 HG23 VAL 5 3HG2 VAL 5 0.103 -9.566 18.904 40 H GLU 6 H GLU 6 2.269 -4.863 18.357 41 HA GLU 6 HA GLU 6 0.155 -4.160 16.657 42 HB2 GLU 6 2HB GLU 6 1.150 -2.856 18.639 43 HB3 GLU 6 1HB GLU 6 2.411 -2.306 17.548 44 HG2 GLU 6 2HG GLU 6 0.792 -0.575 17.729 45 HG3 GLU 6 1HG GLU 6 0.625 -1.279 16.123 46 H PHE 7 H PHE 7 3.644 -3.666 16.276 47 HA PHE 7 HA PHE 7 3.674 -2.384 13.779 48 HB2 PHE 7 2HB PHE 7 5.484 -2.457 15.580 49 HB3 PHE 7 1HB PHE 7 5.888 -4.076 15.035 50 HD1 PHE 7 HD1 PHE 7 7.792 -4.193 13.674 51 HD2 PHE 7 HD2 PHE 7 5.395 -0.654 13.526 52 HE1 PHE 7 HE1 PHE 7 9.417 -3.148 12.148 53 HE2 PHE 7 HE2 PHE 7 7.023 0.380 11.998 54 HZ PHE 7 HZ PHE 7 9.040 -0.861 11.316 55 H ILE 8 H ILE 8 4.376 -5.788 14.637 56 HA ILE 8 HA ILE 8 4.936 -6.731 12.030 57 HB ILE 8 HB ILE 8 3.999 -8.353 14.445 58 HG12 ILE 8 2HG1 ILE 8 6.871 -7.789 13.557 59 HG13 ILE 8 1HG1 ILE 8 6.062 -6.938 14.866 60 HG21 ILE 8 1HG2 ILE 8 5.507 -9.253 11.958 61 HG22 ILE 8 2HG2 ILE 8 3.834 -9.648 12.356 62 HG23 ILE 8 3HG2 ILE 8 5.146 -10.268 13.357 63 HD11 ILE 8 1HD1 ILE 8 5.864 -9.030 16.109 64 HD12 ILE 8 2HD1 ILE 8 7.540 -8.658 15.706 65 HD13 ILE 8 3HD1 ILE 8 6.669 -9.891 14.794 66 H ASN 9 H ASN 9 1.908 -6.751 13.960 67 HA ASN 9 HA ASN 9 0.439 -8.377 12.097 68 HB2 ASN 9 2HB ASN 9 -0.439 -6.726 14.484 69 HB3 ASN 9 1HB ASN 9 -1.609 -7.517 13.436 70 HD21 ASN 9 1HD2 ASN 9 1.546 -8.827 14.429 71 HD22 ASN 9 2HD2 ASN 9 0.887 -10.142 15.323 72 H ARG 10 H ARG 10 0.793 -4.870 12.579 73 HA ARG 10 HA ARG 10 -1.194 -4.064 10.716 74 HB2 ARG 10 2HB ARG 10 1.341 -2.659 11.653 75 HB3 ARG 10 1HB ARG 10 0.218 -1.926 10.508 76 HG2 ARG 10 2HG ARG 10 -1.577 -1.986 12.158 77 HG3 ARG 10 1HG ARG 10 -0.534 -2.829 13.304 78 HD2 ARG 10 2HD ARG 10 0.986 -0.851 13.323 79 HD3 ARG 10 1HD ARG 10 -0.144 -0.004 12.257 80 HE ARG 10 HE ARG 10 -1.510 -0.932 14.560 81 HH11 ARG 10 1HH1 ARG 10 0.812 1.520 13.625 82 HH12 ARG 10 2HH1 ARG 10 0.362 2.613 14.890 83 HH21 ARG 10 1HH2 ARG 10 -2.075 0.491 16.251 84 HH22 ARG 10 2HH2 ARG 10 -1.280 2.033 16.392 85 H TRP 11 H TRP 11 2.356 -4.490 10.323 86 HA TRP 11 HA TRP 11 2.525 -4.140 7.565 87 HB2 TRP 11 2HB TRP 11 4.202 -5.791 9.488 88 HB3 TRP 11 1HB TRP 11 4.571 -5.765 7.767 89 HD1 TRP 11 HD1 TRP 11 5.471 -3.990 10.835 90 HE1 TRP 11 HE1 TRP 11 6.591 -1.757 10.300 91 HE3 TRP 11 HE3 TRP 11 4.282 -3.622 5.881 92 HZ2 TRP 11 HZ2 TRP 11 6.952 -0.050 8.113 93 HZ3 TRP 11 HZ3 TRP 11 5.057 -1.649 4.639 94 HH2 TRP 11 HH2 TRP 11 6.361 0.102 5.737 95 H GLN 12 H GLN 12 1.634 -7.016 9.389 96 HA GLN 12 HA GLN 12 1.529 -8.940 7.359 97 HB2 GLN 12 2HB GLN 12 1.307 -9.554 9.723 98 HB3 GLN 12 1HB GLN 12 -0.180 -8.625 9.865 99 HG2 GLN 12 2HG GLN 12 -1.197 -10.224 8.155 100 HG3 GLN 12 1HG GLN 12 0.254 -11.209 8.354 101 HE21 GLN 12 1HE2 GLN 12 -0.947 -12.941 9.166 102 HE22 GLN 12 2HE2 GLN 12 -1.666 -12.928 10.740 103 H ARG 13 H ARG 13 -1.095 -6.851 8.642 104 HA ARG 13 HA ARG 13 -3.025 -7.700 6.725 105 HB2 ARG 13 2HB ARG 13 -2.966 -5.522 8.805 106 HB3 ARG 13 1HB ARG 13 -4.208 -5.452 7.566 107 HG2 ARG 13 2HG ARG 13 -5.117 -6.516 9.535 108 HG3 ARG 13 1HG ARG 13 -4.997 -7.715 8.250 109 HD2 ARG 13 2HD ARG 13 -2.948 -8.621 9.284 110 HD3 ARG 13 1HD ARG 13 -3.040 -7.394 10.551 111 HE ARG 13 HE ARG 13 -5.155 -9.424 10.159 112 HH11 ARG 13 1HH1 ARG 13 -2.889 -7.797 12.301 113 HH12 ARG 13 2HH1 ARG 13 -3.492 -8.591 13.722 114 HH21 ARG 13 1HH2 ARG 13 -5.921 -10.440 12.041 115 HH22 ARG 13 2HH2 ARG 13 -5.193 -10.072 13.571 116 H ILE 14 H ILE 14 -0.611 -5.135 6.670 117 HA ILE 14 HA ILE 14 -1.713 -3.633 4.482 118 HB ILE 14 HB ILE 14 1.163 -3.790 5.527 119 HG12 ILE 14 2HG1 ILE 14 -0.933 -1.622 5.997 120 HG13 ILE 14 1HG1 ILE 14 -0.556 -2.900 7.144 121 HG21 ILE 14 1HG2 ILE 14 1.610 -1.689 4.315 122 HG22 ILE 14 2HG2 ILE 14 -0.015 -1.723 3.628 123 HG23 ILE 14 3HG2 ILE 14 1.148 -2.973 3.193 124 HD11 ILE 14 1HD1 ILE 14 1.347 -0.772 6.184 125 HD12 ILE 14 2HD1 ILE 14 1.733 -2.068 7.321 126 HD13 ILE 14 3HD1 ILE 14 0.539 -0.843 7.751 127 H ALA 15 H ALA 15 0.609 -6.287 4.789 128 HA ALA 15 HA ALA 15 1.337 -6.542 2.056 129 HB1 ALA 15 1HB ALA 15 2.186 -8.762 2.726 130 HB2 ALA 15 2HB ALA 15 1.343 -8.620 4.272 131 HB3 ALA 15 3HB ALA 15 2.661 -7.514 3.879 132 H LEU 16 H LEU 16 -1.152 -8.108 4.056 133 HA LEU 16 HA LEU 16 -2.298 -9.800 2.106 134 HB2 LEU 16 2HB LEU 16 -3.525 -8.563 4.604 135 HB3 LEU 16 1HB LEU 16 -4.301 -9.816 3.653 136 HG LEU 16 HG LEU 16 -1.675 -10.151 5.165 137 HD11 LEU 16 1HD1 LEU 16 -2.938 -11.566 6.734 138 HD12 LEU 16 2HD1 LEU 16 -4.436 -11.208 5.871 139 HD13 LEU 16 3HD1 LEU 16 -3.572 -9.919 6.709 140 HD21 LEU 16 1HD2 LEU 16 -3.322 -12.206 3.654 141 HD22 LEU 16 2HD2 LEU 16 -1.915 -12.558 4.663 142 HD23 LEU 16 3HD2 LEU 16 -1.729 -11.593 3.199 143 H LEU 17 H LEU 17 -3.028 -6.454 3.092 144 HA LEU 17 HA LEU 17 -5.338 -6.048 1.495 145 HB2 LEU 17 2HB LEU 17 -3.384 -4.134 2.822 146 HB3 LEU 17 1HB LEU 17 -4.634 -3.514 1.759 147 HG LEU 17 HG LEU 17 -5.195 -5.138 4.275 148 HD11 LEU 17 1HD1 LEU 17 -4.175 -2.963 4.829 149 HD12 LEU 17 2HD1 LEU 17 -5.863 -3.027 5.327 150 HD13 LEU 17 3HD1 LEU 17 -5.406 -2.132 3.874 151 HD21 LEU 17 1HD2 LEU 17 -7.523 -4.406 3.969 152 HD22 LEU 17 2HD2 LEU 17 -6.966 -5.341 2.584 153 HD23 LEU 17 3HD2 LEU 17 -7.083 -3.581 2.470 154 H SER 18 H SER 18 -1.905 -5.180 0.969 155 HA SER 18 HA SER 18 -2.204 -3.926 -1.517 156 HB2 SER 18 2HB SER 18 0.257 -4.289 -1.781 157 HB3 SER 18 1HB SER 18 -0.161 -3.664 -0.187 158 HG SER 18 HG SER 18 0.533 -6.321 -0.885 159 H GLN 19 H GLN 19 -1.579 -7.310 -0.669 160 HA GLN 19 HA GLN 19 -1.294 -8.401 -3.257 161 HB2 GLN 19 2HB GLN 19 -0.634 -9.624 -1.258 162 HB3 GLN 19 1HB GLN 19 -2.282 -9.609 -0.645 163 HG2 GLN 19 2HG GLN 19 -2.970 -11.069 -2.530 164 HG3 GLN 19 1HG GLN 19 -1.295 -11.124 -3.077 165 HE21 GLN 19 1HE2 GLN 19 -2.283 -11.209 0.336 166 HE22 GLN 19 2HE2 GLN 19 -1.768 -12.829 0.618 167 H SER 20 H SER 20 -4.194 -8.057 -1.193 168 HA SER 20 HA SER 20 -6.019 -9.379 -2.938 169 HB2 SER 20 2HB SER 20 -6.523 -7.417 -0.658 170 HB3 SER 20 1HB SER 20 -7.783 -8.362 -1.461 171 HG SER 20 HG SER 20 -5.653 -9.253 0.151 172 H LEU 21 H LEU 21 -5.235 -5.997 -2.388 173 HA LEU 21 HA LEU 21 -7.085 -4.801 -4.166 174 HB2 LEU 21 2HB LEU 21 -4.493 -3.767 -2.937 175 HB3 LEU 21 1HB LEU 21 -5.591 -2.761 -3.869 176 HG LEU 21 HG LEU 21 -6.334 -4.153 -1.260 177 HD11 LEU 21 1HD1 LEU 21 -5.658 -1.227 -1.697 178 HD12 LEU 21 2HD1 LEU 21 -4.642 -2.409 -0.869 179 HD13 LEU 21 3HD1 LEU 21 -6.203 -1.961 -0.186 180 HD21 LEU 21 1HD2 LEU 21 -8.271 -3.793 -2.697 181 HD22 LEU 21 2HD2 LEU 21 -7.858 -2.088 -2.877 182 HD23 LEU 21 3HD2 LEU 21 -8.331 -2.724 -1.301 183 H LEU 22 H LEU 22 -3.804 -6.038 -4.462 184 HA LEU 22 HA LEU 22 -3.187 -5.138 -7.052 185 HB2 LEU 22 2HB LEU 22 -1.476 -6.115 -5.614 186 HB3 LEU 22 1HB LEU 22 -2.314 -7.659 -5.594 187 HG LEU 22 HG LEU 22 -1.836 -7.981 -7.991 188 HD11 LEU 22 1HD1 LEU 22 -0.336 -6.429 -9.202 189 HD12 LEU 22 2HD1 LEU 22 -0.440 -5.291 -7.856 190 HD13 LEU 22 3HD1 LEU 22 -1.887 -5.702 -8.786 191 HD21 LEU 22 1HD2 LEU 22 0.567 -8.356 -7.845 192 HD22 LEU 22 2HD2 LEU 22 -0.205 -8.801 -6.324 193 HD23 LEU 22 3HD2 LEU 22 0.686 -7.281 -6.450 194 H GLU 23 H GLU 23 -4.693 -8.177 -5.933 195 HA GLU 23 HA GLU 23 -5.165 -9.300 -8.470 196 HB2 GLU 23 2HB GLU 23 -6.672 -9.742 -5.866 197 HB3 GLU 23 1HB GLU 23 -6.799 -10.772 -7.286 198 HG2 GLU 23 2HG GLU 23 -4.313 -10.330 -5.609 199 HG3 GLU 23 1HG GLU 23 -5.324 -11.771 -5.616 200 H LEU 24 H LEU 24 -7.113 -7.073 -6.505 201 HA LEU 24 HA LEU 24 -9.460 -7.066 -8.081 202 HB2 LEU 24 2HB LEU 24 -8.264 -4.822 -6.404 203 HB3 LEU 24 1HB LEU 24 -9.887 -4.804 -7.079 204 HG LEU 24 HG LEU 24 -8.871 -6.751 -4.971 205 HD11 LEU 24 1HD1 LEU 24 -10.804 -4.434 -4.724 206 HD12 LEU 24 2HD1 LEU 24 -9.151 -4.487 -4.113 207 HD13 LEU 24 3HD1 LEU 24 -10.368 -5.567 -3.441 208 HD21 LEU 24 1HD2 LEU 24 -11.193 -7.536 -4.791 209 HD22 LEU 24 2HD2 LEU 24 -10.540 -7.839 -6.398 210 HD23 LEU 24 3HD2 LEU 24 -11.662 -6.501 -6.141 211 H ALA 25 H ALA 25 -6.495 -5.100 -8.225 212 HA ALA 25 HA ALA 25 -7.274 -3.471 -10.422 213 HB1 ALA 25 1HB ALA 25 -5.529 -2.798 -8.831 214 HB2 ALA 25 2HB ALA 25 -4.922 -2.763 -10.487 215 HB3 ALA 25 3HB ALA 25 -4.479 -4.092 -9.407 216 H GLN 26 H GLN 26 -5.668 -6.599 -10.219 217 HA GLN 26 HA GLN 26 -4.827 -6.842 -12.923 218 HB2 GLN 26 2HB GLN 26 -5.468 -8.958 -10.822 219 HB3 GLN 26 1HB GLN 26 -4.787 -9.338 -12.400 220 HG2 GLN 26 2HG GLN 26 -3.460 -7.629 -10.272 221 HG3 GLN 26 1HG GLN 26 -3.071 -9.306 -10.641 222 HE21 GLN 26 1HE2 GLN 26 -1.279 -7.048 -10.699 223 HE22 GLN 26 2HE2 GLN 26 -0.688 -6.912 -12.312 224 H ARG 27 H ARG 27 -7.858 -7.634 -11.242 225 HA ARG 27 HA ARG 27 -9.097 -8.755 -13.644 226 HB2 ARG 27 2HB ARG 27 -10.047 -8.375 -10.787 227 HB3 ARG 27 1HB ARG 27 -11.214 -8.715 -12.057 228 HG2 ARG 27 2HG ARG 27 -10.621 -10.771 -10.894 229 HG3 ARG 27 1HG ARG 27 -10.059 -10.851 -12.564 230 HD2 ARG 27 2HD ARG 27 -7.770 -10.265 -11.789 231 HD3 ARG 27 1HD ARG 27 -8.355 -10.243 -10.124 232 HE ARG 27 HE ARG 27 -8.900 -12.747 -11.369 233 HH11 ARG 27 1HH1 ARG 27 -6.269 -10.874 -9.976 234 HH12 ARG 27 2HH1 ARG 27 -5.334 -12.267 -9.532 235 HH21 ARG 27 1HH2 ARG 27 -7.664 -14.581 -10.786 236 HH22 ARG 27 2HH2 ARG 27 -6.128 -14.374 -9.998 237 H GLY 28 H GLY 28 -8.858 -5.672 -12.112 238 HA2 GLY 28 2HA GLY 28 -9.497 -3.617 -13.056 239 HA3 GLY 28 1HA GLY 28 -10.662 -4.437 -14.076 240 H GLU 29 H GLU 29 -10.777 -5.393 -10.812 241 HA GLU 29 HA GLU 29 -13.325 -4.203 -10.291 242 HB2 GLU 29 2HB GLU 29 -11.461 -5.543 -8.291 243 HB3 GLU 29 1HB GLU 29 -13.197 -5.334 -8.141 244 HG2 GLU 29 2HG GLU 29 -11.797 -7.113 -10.155 245 HG3 GLU 29 1HG GLU 29 -12.592 -7.655 -8.679 246 H TRP 30 H TRP 30 -12.761 -1.947 -10.616 247 HA TRP 30 HA TRP 30 -10.850 -0.595 -8.964 248 HB2 TRP 30 2HB TRP 30 -13.018 0.732 -10.645 249 HB3 TRP 30 1HB TRP 30 -11.521 1.458 -10.068 250 HD1 TRP 30 HD1 TRP 30 -12.816 0.655 -13.187 251 HE1 TRP 30 HE1 TRP 30 -11.093 -0.190 -14.883 252 HE3 TRP 30 HE3 TRP 30 -9.016 -0.589 -9.983 253 HZ2 TRP 30 HZ2 TRP 30 -8.500 -1.232 -14.893 254 HZ3 TRP 30 HZ3 TRP 30 -6.943 -1.502 -10.932 255 HH2 TRP 30 HH2 TRP 30 -6.693 -1.827 -13.339 256 H ASP 31 H ASP 31 -14.282 -1.197 -8.770 257 HA ASP 31 HA ASP 31 -15.041 0.905 -7.034 258 HB2 ASP 31 2HB ASP 31 -16.694 -0.334 -8.343 259 HB3 ASP 31 1HB ASP 31 -16.307 -1.830 -7.499 260 H LEU 32 H LEU 32 -14.274 -2.512 -6.326 261 HA LEU 32 HA LEU 32 -14.312 -2.277 -3.488 262 HB2 LEU 32 2HB LEU 32 -12.959 -4.316 -5.293 263 HB3 LEU 32 1HB LEU 32 -13.020 -4.454 -3.543 264 HG LEU 32 HG LEU 32 -15.426 -4.522 -5.409 265 HD11 LEU 32 1HD1 LEU 32 -14.062 -6.554 -5.555 266 HD12 LEU 32 2HD1 LEU 32 -15.598 -6.892 -4.762 267 HD13 LEU 32 3HD1 LEU 32 -14.123 -6.748 -3.799 268 HD21 LEU 32 1HD2 LEU 32 -15.320 -4.813 -2.384 269 HD22 LEU 32 2HD2 LEU 32 -16.744 -5.098 -3.389 270 HD23 LEU 32 3HD2 LEU 32 -16.051 -3.482 -3.286 271 H LEU 33 H LEU 33 -11.858 -1.714 -5.927 272 HA LEU 33 HA LEU 33 -9.576 -1.547 -4.270 273 HB2 LEU 33 2HB LEU 33 -9.676 -1.677 -6.836 274 HB3 LEU 33 1HB LEU 33 -10.048 0.038 -6.825 275 HG LEU 33 HG LEU 33 -7.824 0.412 -5.622 276 HD11 LEU 33 1HD1 LEU 33 -7.350 -2.484 -6.382 277 HD12 LEU 33 2HD1 LEU 33 -7.491 -1.837 -4.743 278 HD13 LEU 33 3HD1 LEU 33 -6.134 -1.359 -5.759 279 HD21 LEU 33 1HD2 LEU 33 -7.681 -0.824 -8.388 280 HD22 LEU 33 2HD2 LEU 33 -6.450 0.205 -7.644 281 HD23 LEU 33 3HD2 LEU 33 -8.044 0.863 -8.013 282 H LEU 34 H LEU 34 -11.990 0.855 -5.292 283 HA LEU 34 HA LEU 34 -10.813 3.140 -4.024 284 HB2 LEU 34 2HB LEU 34 -13.648 2.659 -5.046 285 HB3 LEU 34 1HB LEU 34 -13.066 4.213 -4.469 286 HG LEU 34 HG LEU 34 -12.061 2.731 -6.928 287 HD11 LEU 34 1HD1 LEU 34 -13.030 4.587 -8.219 288 HD12 LEU 34 2HD1 LEU 34 -13.677 5.292 -6.734 289 HD13 LEU 34 3HD1 LEU 34 -14.261 3.725 -7.296 290 HD21 LEU 34 1HD2 LEU 34 -10.202 3.882 -5.921 291 HD22 LEU 34 2HD2 LEU 34 -11.141 5.367 -5.773 292 HD23 LEU 34 3HD2 LEU 34 -10.703 4.754 -7.369 293 H GLN 35 H GLN 35 -13.218 0.741 -3.080 294 HA GLN 35 HA GLN 35 -14.227 2.006 -0.750 295 HB2 GLN 35 2HB GLN 35 -15.353 0.105 -1.900 296 HB3 GLN 35 1HB GLN 35 -14.048 -0.968 -1.418 297 HG2 GLN 35 2HG GLN 35 -16.061 -1.257 -0.017 298 HG3 GLN 35 1HG GLN 35 -14.669 -0.733 0.933 299 HE21 GLN 35 1HE2 GLN 35 -14.705 1.330 1.876 300 HE22 GLN 35 2HE2 GLN 35 -16.138 2.286 1.963 301 H GLN 36 H GLN 36 -11.683 -0.379 -1.245 302 HA GLN 36 HA GLN 36 -10.909 -0.424 1.569 303 HB2 GLN 36 2HB GLN 36 -10.073 -2.093 -0.822 304 HB3 GLN 36 1HB GLN 36 -9.486 -2.357 0.820 305 HG2 GLN 36 2HG GLN 36 -11.641 -3.020 1.605 306 HG3 GLN 36 1HG GLN 36 -12.454 -2.360 0.191 307 HE21 GLN 36 1HE2 GLN 36 -10.701 -3.508 -1.768 308 HE22 GLN 36 2HE2 GLN 36 -11.017 -5.204 -1.783 309 H GLU 37 H GLU 37 -9.978 1.253 -1.242 310 HA GLU 37 HA GLU 37 -7.355 1.951 -1.072 311 HB2 GLU 37 2HB GLU 37 -8.961 3.014 -2.623 312 HB3 GLU 37 1HB GLU 37 -9.742 3.836 -1.282 313 HG2 GLU 37 2HG GLU 37 -7.160 4.763 -1.014 314 HG3 GLU 37 1HG GLU 37 -7.253 4.538 -2.756 315 H VAL 38 H VAL 38 -9.921 3.515 0.846 316 HA VAL 38 HA VAL 38 -8.321 5.139 2.446 317 HB VAL 38 HB VAL 38 -10.713 5.553 2.177 318 HG11 VAL 38 1HG1 VAL 38 -12.448 4.211 3.303 319 HG12 VAL 38 2HG1 VAL 38 -11.218 3.050 3.812 320 HG13 VAL 38 3HG1 VAL 38 -11.565 3.270 2.096 321 HG21 VAL 38 1HG2 VAL 38 -11.340 6.116 4.503 322 HG22 VAL 38 2HG2 VAL 38 -9.652 6.511 4.183 323 HG23 VAL 38 3HG2 VAL 38 -10.053 5.065 5.107 324 H SER 39 H SER 39 -9.346 1.787 2.946 325 HA SER 39 HA SER 39 -8.521 1.521 5.651 326 HB2 SER 39 2HB SER 39 -8.869 -0.630 3.515 327 HB3 SER 39 1HB SER 39 -8.802 -0.910 5.255 328 HG SER 39 HG SER 39 -10.708 0.400 5.439 329 H TYR 40 H TYR 40 -6.914 0.844 2.552 330 HA TYR 40 HA TYR 40 -4.553 -0.362 3.593 331 HB2 TYR 40 2HB TYR 40 -5.341 -0.694 1.271 332 HB3 TYR 40 1HB TYR 40 -5.033 1.000 0.909 333 HD1 TYR 40 HD1 TYR 40 -3.127 1.318 -0.418 334 HD2 TYR 40 HD2 TYR 40 -3.063 -1.868 2.421 335 HE1 TYR 40 HE1 TYR 40 -0.881 0.693 -1.176 336 HE2 TYR 40 HE2 TYR 40 -0.810 -2.486 1.659 337 HH TYR 40 HH TYR 40 1.096 -0.493 -0.348 338 H LEU 41 H LEU 41 -5.298 2.950 2.501 339 HA LEU 41 HA LEU 41 -2.690 4.020 2.929 340 HB2 LEU 41 2HB LEU 41 -5.338 5.508 2.728 341 HB3 LEU 41 1HB LEU 41 -3.743 6.213 2.535 342 HG LEU 41 HG LEU 41 -5.086 4.235 0.646 343 HD11 LEU 41 1HD1 LEU 41 -5.041 6.074 -0.994 344 HD12 LEU 41 2HD1 LEU 41 -4.353 7.151 0.224 345 HD13 LEU 41 3HD1 LEU 41 -5.979 6.499 0.439 346 HD21 LEU 41 1HD2 LEU 41 -2.294 5.410 0.426 347 HD22 LEU 41 2HD2 LEU 41 -3.113 4.471 -0.825 348 HD23 LEU 41 3HD2 LEU 41 -2.701 3.716 0.713 349 H GLN 42 H GLN 42 -5.562 3.686 4.935 350 HA GLN 42 HA GLN 42 -4.756 5.241 7.178 351 HB2 GLN 42 2HB GLN 42 -7.082 4.488 6.833 352 HB3 GLN 42 1HB GLN 42 -6.591 2.807 7.004 353 HG2 GLN 42 2HG GLN 42 -5.945 3.272 9.365 354 HG3 GLN 42 1HG GLN 42 -6.525 4.925 9.179 355 HE21 GLN 42 1HE2 GLN 42 -8.883 4.165 7.573 356 HE22 GLN 42 2HE2 GLN 42 -9.978 3.411 8.674 357 H SER 43 H SER 43 -4.393 1.777 6.393 358 HA SER 43 HA SER 43 -3.103 0.926 8.754 359 HB2 SER 43 2HB SER 43 -3.018 -0.229 5.938 360 HB3 SER 43 1HB SER 43 -2.441 -1.066 7.383 361 HG SER 43 HG SER 43 -5.075 -0.055 7.221 362 H ILE 44 H ILE 44 -1.836 2.024 5.655 363 HA ILE 44 HA ILE 44 0.925 1.881 6.037 364 HB ILE 44 HB ILE 44 -0.931 3.582 4.345 365 HG12 ILE 44 2HG1 ILE 44 1.232 1.560 3.598 366 HG13 ILE 44 1HG1 ILE 44 -0.489 1.217 3.700 367 HG21 ILE 44 1HG2 ILE 44 2.067 4.006 4.376 368 HG22 ILE 44 2HG2 ILE 44 0.830 5.179 4.826 369 HG23 ILE 44 3HG2 ILE 44 0.964 4.637 3.153 370 HD11 ILE 44 1HD1 ILE 44 0.848 3.060 1.723 371 HD12 ILE 44 2HD1 ILE 44 -0.890 2.764 1.834 372 HD13 ILE 44 3HD1 ILE 44 0.205 1.446 1.411 373 H GLU 45 H GLU 45 -1.310 4.589 6.647 374 HA GLU 45 HA GLU 45 0.465 6.495 7.624 375 HB2 GLU 45 2HB GLU 45 -1.878 6.941 6.957 376 HB3 GLU 45 1HB GLU 45 -2.461 6.040 8.352 377 HG2 GLU 45 2HG GLU 45 -1.295 7.747 9.818 378 HG3 GLU 45 1HG GLU 45 -0.970 8.679 8.356 379 H THR 46 H THR 46 -1.534 4.176 9.474 380 HA THR 46 HA THR 46 -0.665 5.087 12.012 381 HB THR 46 HB THR 46 -2.880 3.986 11.623 382 HG1 THR 46 HG1 THR 46 -2.625 3.925 13.719 383 HG21 THR 46 1HG2 THR 46 -3.056 1.527 11.636 384 HG22 THR 46 2HG2 THR 46 -1.299 1.391 11.556 385 HG23 THR 46 3HG2 THR 46 -2.188 2.091 10.202 386 H VAL 47 H VAL 47 0.482 2.397 9.910 387 HA VAL 47 HA VAL 47 2.159 1.227 11.914 388 HB VAL 47 HB VAL 47 1.385 0.050 9.740 389 HG11 VAL 47 1HG1 VAL 47 2.118 1.707 8.092 390 HG12 VAL 47 2HG1 VAL 47 2.907 0.156 7.795 391 HG13 VAL 47 3HG1 VAL 47 3.800 1.469 8.564 392 HG21 VAL 47 1HG2 VAL 47 2.935 -0.998 11.335 393 HG22 VAL 47 2HG2 VAL 47 4.306 -0.206 10.550 394 HG23 VAL 47 3HG2 VAL 47 3.370 -1.420 9.675 395 H MET 48 H MET 48 2.648 3.735 9.453 396 HA MET 48 HA MET 48 5.492 3.929 9.795 397 HB2 MET 48 2HB MET 48 4.269 4.603 7.721 398 HB3 MET 48 1HB MET 48 3.573 5.966 8.585 399 HG2 MET 48 2HG MET 48 5.716 7.015 8.802 400 HG3 MET 48 1HG MET 48 6.552 5.567 8.240 401 HE1 MET 48 1HE MET 48 4.718 4.622 5.764 402 HE2 MET 48 2HE MET 48 6.483 4.677 5.732 403 HE3 MET 48 3HE MET 48 5.550 5.442 4.444 404 H GLU 49 H GLU 49 2.694 5.476 11.269 405 HA GLU 49 HA GLU 49 4.044 7.450 12.816 406 HB2 GLU 49 2HB GLU 49 1.580 7.436 12.375 407 HB3 GLU 49 1HB GLU 49 1.417 5.999 13.378 408 HG2 GLU 49 2HG GLU 49 2.304 7.351 15.321 409 HG3 GLU 49 1HG GLU 49 2.228 8.779 14.289 410 H LYS 50 H LYS 50 3.300 4.041 13.304 411 HA LYS 50 HA LYS 50 4.467 3.964 16.013 412 HB2 LYS 50 2HB LYS 50 2.242 2.831 15.537 413 HB3 LYS 50 1HB LYS 50 3.072 1.755 14.427 414 HG2 LYS 50 2HG LYS 50 2.824 0.482 16.403 415 HG3 LYS 50 1HG LYS 50 4.504 1.015 16.441 416 HD2 LYS 50 2HD LYS 50 3.591 1.276 18.661 417 HD3 LYS 50 1HD LYS 50 3.799 2.891 17.980 418 HE2 LYS 50 2HE LYS 50 1.358 2.879 17.363 419 HE3 LYS 50 1HE LYS 50 1.196 1.331 18.196 420 HZ1 LYS 50 1HZ LYS 50 1.965 2.450 20.240 421 HZ2 LYS 50 2HZ LYS 50 0.518 3.092 19.652 422 HZ3 LYS 50 3HZ LYS 50 1.969 3.929 19.420 423 H GLN 51 H GLN 51 6.572 4.539 14.752 424 HA GLN 51 HA GLN 51 7.890 2.273 13.474 425 HB2 GLN 51 2HB GLN 51 9.864 3.746 13.305 426 HB3 GLN 51 1HB GLN 51 8.428 4.520 12.654 427 HG2 GLN 51 2HG GLN 51 8.228 5.883 14.700 428 HG3 GLN 51 1HG GLN 51 9.658 5.091 15.368 429 HE21 GLN 51 1HE2 GLN 51 11.715 5.578 14.460 430 HE22 GLN 51 2HE2 GLN 51 11.967 6.980 13.481 431 H THR 52 H THR 52 9.396 0.930 14.417 432 HA THR 52 HA THR 52 9.353 0.603 17.256 433 HB THR 52 HB THR 52 11.210 -1.165 16.705 434 HG1 THR 52 HG1 THR 52 11.817 -0.363 14.673 435 HG21 THR 52 1HG2 THR 52 9.575 -2.785 15.856 436 HG22 THR 52 2HG2 THR 52 8.469 -1.478 15.431 437 HG23 THR 52 3HG2 THR 52 8.856 -1.792 17.126 438 HA PRO 53 HA PRO 53 12.968 3.047 18.533 439 HB2 PRO 53 2HB PRO 53 13.480 0.797 20.476 440 HB3 PRO 53 1HB PRO 53 13.223 2.523 20.805 441 HG2 PRO 53 2HG PRO 53 11.335 0.748 21.381 442 HG3 PRO 53 1HG PRO 53 10.888 2.329 20.691 443 HD2 PRO 53 2HD PRO 53 11.117 -0.343 19.309 444 HD3 PRO 53 1HD PRO 53 9.850 0.897 19.157 445 HA PRO 54 HA PRO 54 16.923 1.657 16.763 446 HB2 PRO 54 2HB PRO 54 17.957 1.877 19.608 447 HB3 PRO 54 1HB PRO 54 18.703 2.443 18.094 448 HG2 PRO 54 2HG PRO 54 17.442 4.155 19.686 449 HG3 PRO 54 1HG PRO 54 17.293 4.286 17.918 450 HD2 PRO 54 2HD PRO 54 15.291 3.333 19.913 451 HD3 PRO 54 1HD PRO 54 15.031 4.098 18.331 452 H GLY 55 H GLY 55 16.196 0.213 19.966 453 HA2 GLY 55 2HA GLY 55 17.656 -2.225 19.522 454 HA3 GLY 55 1HA GLY 55 16.530 -1.894 20.830 455 H ILE 56 H ILE 56 16.533 -2.487 17.333 456 HA ILE 56 HA ILE 56 13.981 -3.957 17.472 457 HB ILE 56 HB ILE 56 13.888 -2.121 15.902 458 HG12 ILE 56 2HG1 ILE 56 13.540 -3.311 13.671 459 HG13 ILE 56 1HG1 ILE 56 14.190 -4.766 14.419 460 HG21 ILE 56 1HG2 ILE 56 16.412 -3.134 14.567 461 HG22 ILE 56 2HG2 ILE 56 16.257 -1.673 15.542 462 HG23 ILE 56 3HG2 ILE 56 15.414 -1.795 13.996 463 HD11 ILE 56 1HD1 ILE 56 11.718 -3.281 15.298 464 HD12 ILE 56 2HD1 ILE 56 12.349 -4.759 16.029 465 HD13 ILE 56 3HD1 ILE 56 11.763 -4.777 14.368 466 H THR 57 H THR 57 14.221 -6.118 17.638 467 HA THR 57 HA THR 57 16.792 -7.400 17.273 468 HB THR 57 HB THR 57 15.306 -7.899 19.226 469 HG1 THR 57 HG1 THR 57 16.597 -9.565 19.119 470 HG21 THR 57 1HG2 THR 57 13.578 -9.395 17.220 471 HG22 THR 57 2HG2 THR 57 13.106 -7.930 18.087 472 HG23 THR 57 3HG2 THR 57 13.400 -9.425 18.976 473 H ARG 58 H ARG 58 16.914 -9.560 16.223 474 HA ARG 58 HA ARG 58 16.564 -9.346 13.463 475 HB2 ARG 58 2HB ARG 58 18.368 -10.672 14.261 476 HB3 ARG 58 1HB ARG 58 17.332 -11.633 15.299 477 HG2 ARG 58 2HG ARG 58 18.246 -12.888 13.357 478 HG3 ARG 58 1HG ARG 58 16.487 -12.895 13.426 479 HD2 ARG 58 2HD ARG 58 17.318 -12.631 11.135 480 HD3 ARG 58 1HD ARG 58 16.387 -11.226 11.647 481 HE ARG 58 HE ARG 58 19.251 -10.969 11.986 482 HH11 ARG 58 1HH1 ARG 58 16.563 -10.471 9.758 483 HH12 ARG 58 2HH1 ARG 58 17.406 -9.285 8.815 484 HH21 ARG 58 1HH2 ARG 58 20.352 -9.423 10.710 485 HH22 ARG 58 2HH2 ARG 58 19.549 -8.697 9.355 486 H SER 59 H SER 59 14.634 -11.185 15.850 487 HA SER 59 HA SER 59 13.042 -12.685 14.141 488 HB2 SER 59 2HB SER 59 12.129 -11.447 16.774 489 HB3 SER 59 1HB SER 59 11.474 -12.898 16.006 490 HG SER 59 HG SER 59 13.195 -14.019 16.593 491 H ILE 60 H ILE 60 12.223 -9.531 15.605 492 HA ILE 60 HA ILE 60 9.758 -9.128 14.288 493 HB ILE 60 HB ILE 60 11.597 -6.954 15.395 494 HG12 ILE 60 2HG1 ILE 60 9.366 -8.413 16.888 495 HG13 ILE 60 1HG1 ILE 60 11.081 -8.751 17.098 496 HG21 ILE 60 1HG2 ILE 60 9.786 -6.065 13.972 497 HG22 ILE 60 2HG2 ILE 60 9.522 -5.623 15.657 498 HG23 ILE 60 3HG2 ILE 60 8.585 -6.931 14.935 499 HD11 ILE 60 1HD1 ILE 60 10.220 -7.329 18.870 500 HD12 ILE 60 2HD1 ILE 60 9.726 -6.122 17.683 501 HD13 ILE 60 3HD1 ILE 60 11.439 -6.485 17.916 502 H GLN 61 H GLN 61 13.031 -7.853 13.677 503 HA GLN 61 HA GLN 61 12.580 -6.139 11.558 504 HB2 GLN 61 2HB GLN 61 14.741 -6.520 12.891 505 HB3 GLN 61 1HB GLN 61 15.070 -7.885 11.840 506 HG2 GLN 61 2HG GLN 61 14.723 -5.043 10.829 507 HG3 GLN 61 1HG GLN 61 16.276 -5.709 11.301 508 HE21 GLN 61 1HE2 GLN 61 15.331 -4.652 8.719 509 HE22 GLN 61 2HE2 GLN 61 15.630 -5.905 7.566 510 H ASP 62 H ASP 62 13.283 -9.607 11.494 511 HA ASP 62 HA ASP 62 13.509 -9.890 8.673 512 HB2 ASP 62 2HB ASP 62 14.635 -11.427 10.217 513 HB3 ASP 62 1HB ASP 62 13.094 -11.960 10.882 514 H MET 63 H MET 63 10.888 -10.700 10.986 515 HA MET 63 HA MET 63 9.107 -11.817 9.081 516 HB2 MET 63 2HB MET 63 8.540 -10.590 11.815 517 HB3 MET 63 1HB MET 63 7.343 -11.463 10.865 518 HG2 MET 63 2HG MET 63 8.787 -13.485 10.949 519 HG3 MET 63 1HG MET 63 9.924 -12.602 11.963 520 HE1 MET 63 1HE MET 63 7.972 -12.206 15.326 521 HE2 MET 63 2HE MET 63 8.246 -11.000 14.069 522 HE3 MET 63 3HE MET 63 9.548 -12.091 14.545 523 H VAL 64 H VAL 64 9.222 -8.589 10.537 524 HA VAL 64 HA VAL 64 7.250 -7.274 9.063 525 HB VAL 64 HB VAL 64 9.788 -6.321 10.448 526 HG11 VAL 64 1HG1 VAL 64 7.738 -4.517 9.124 527 HG12 VAL 64 2HG1 VAL 64 9.432 -4.693 8.667 528 HG13 VAL 64 3HG1 VAL 64 9.009 -3.980 10.223 529 HG21 VAL 64 1HG2 VAL 64 8.211 -5.423 12.115 530 HG22 VAL 64 2HG2 VAL 64 7.951 -7.151 11.873 531 HG23 VAL 64 3HG2 VAL 64 6.846 -5.983 11.144 532 H ALA 65 H ALA 65 10.696 -7.823 8.318 533 HA ALA 65 HA ALA 65 10.846 -6.233 5.978 534 HB1 ALA 65 1HB ALA 65 12.908 -7.475 5.465 535 HB2 ALA 65 2HB ALA 65 12.510 -8.673 6.704 536 HB3 ALA 65 3HB ALA 65 12.856 -7.003 7.162 537 H GLY 66 H GLY 66 9.895 -9.605 6.536 538 HA2 GLY 66 2HA GLY 66 9.617 -10.507 3.874 539 HA3 GLY 66 1HA GLY 66 8.687 -11.095 5.256 540 H TYR 67 H TYR 67 7.231 -9.081 6.102 541 HA TYR 67 HA TYR 67 5.107 -8.817 4.257 542 HB2 TYR 67 2HB TYR 67 5.672 -7.195 6.756 543 HB3 TYR 67 1HB TYR 67 4.130 -7.243 5.907 544 HD1 TYR 67 HD1 TYR 67 5.319 -8.204 8.850 545 HD2 TYR 67 HD2 TYR 67 3.721 -10.116 5.373 546 HE1 TYR 67 HE1 TYR 67 4.569 -10.092 10.230 547 HE2 TYR 67 HE2 TYR 67 2.975 -12.007 6.763 548 HH TYR 67 HH TYR 67 2.838 -11.875 10.139 549 H ILE 68 H ILE 68 7.851 -6.760 4.919 550 HA ILE 68 HA ILE 68 6.981 -4.359 3.663 551 HB ILE 68 HB ILE 68 9.666 -5.435 4.576 552 HG12 ILE 68 2HG1 ILE 68 8.075 -2.937 5.310 553 HG13 ILE 68 1HG1 ILE 68 8.148 -4.422 6.245 554 HG21 ILE 68 1HG2 ILE 68 9.403 -2.881 2.959 555 HG22 ILE 68 2HG2 ILE 68 10.287 -4.335 2.492 556 HG23 ILE 68 3HG2 ILE 68 10.838 -3.372 3.862 557 HD11 ILE 68 1HD1 ILE 68 9.510 -2.736 7.258 558 HD12 ILE 68 2HD1 ILE 68 10.414 -2.494 5.763 559 HD13 ILE 68 3HD1 ILE 68 10.547 -4.022 6.643 560 H LYS 69 H LYS 69 8.905 -7.156 2.539 561 HA LYS 69 HA LYS 69 9.341 -6.198 -0.100 562 HB2 LYS 69 2HB LYS 69 9.260 -9.086 0.873 563 HB3 LYS 69 1HB LYS 69 9.900 -8.556 -0.678 564 HG2 LYS 69 2HG LYS 69 11.013 -7.846 2.045 565 HG3 LYS 69 1HG LYS 69 11.688 -9.032 0.936 566 HD2 LYS 69 2HD LYS 69 11.472 -6.047 0.387 567 HD3 LYS 69 1HD LYS 69 12.924 -6.874 0.943 568 HE2 LYS 69 2HE LYS 69 12.969 -8.208 -1.130 569 HE3 LYS 69 1HE LYS 69 11.510 -7.386 -1.693 570 HZ1 LYS 69 1HZ LYS 69 13.441 -6.364 -2.683 571 HZ2 LYS 69 2HZ LYS 69 14.153 -6.121 -1.168 572 HZ3 LYS 69 3HZ LYS 69 12.757 -5.273 -1.585 573 H GLN 70 H GLN 70 6.792 -8.192 1.372 574 HA GLN 70 HA GLN 70 5.324 -8.869 -0.936 575 HB2 GLN 70 2HB GLN 70 4.331 -8.435 1.915 576 HB3 GLN 70 1HB GLN 70 3.384 -9.194 0.638 577 HG2 GLN 70 2HG GLN 70 4.921 -11.067 0.529 578 HG3 GLN 70 1HG GLN 70 6.032 -10.271 1.640 579 HE21 GLN 70 1HE2 GLN 70 6.007 -11.862 3.184 580 HE22 GLN 70 2HE2 GLN 70 4.624 -12.254 4.139 581 H THR 71 H THR 71 4.800 -6.127 1.363 582 HA THR 71 HA THR 71 2.587 -5.091 -0.051 583 HB THR 71 HB THR 71 2.835 -4.569 2.331 584 HG1 THR 71 HG1 THR 71 1.996 -2.940 0.504 585 HG21 THR 71 1HG2 THR 71 5.125 -2.729 1.554 586 HG22 THR 71 2HG2 THR 71 5.282 -4.223 2.483 587 HG23 THR 71 3HG2 THR 71 4.390 -2.851 3.151 588 H LEU 72 H LEU 72 6.053 -4.135 -0.107 589 HA LEU 72 HA LEU 72 5.694 -1.936 -1.890 590 HB2 LEU 72 2HB LEU 72 8.162 -3.553 -1.165 591 HB3 LEU 72 1HB LEU 72 8.223 -2.204 -2.286 592 HG LEU 72 HG LEU 72 7.383 -1.983 0.639 593 HD11 LEU 72 1HD1 LEU 72 9.772 -2.511 0.443 594 HD12 LEU 72 2HD1 LEU 72 9.547 -0.855 0.995 595 HD13 LEU 72 3HD1 LEU 72 10.001 -1.169 -0.683 596 HD21 LEU 72 1HD2 LEU 72 6.285 -0.261 -0.690 597 HD22 LEU 72 2HD2 LEU 72 7.814 0.183 -1.455 598 HD23 LEU 72 3HD2 LEU 72 7.573 0.480 0.268 599 H ASP 73 H ASP 73 6.161 -5.399 -2.444 600 HA ASP 73 HA ASP 73 6.820 -5.239 -5.238 601 HB2 ASP 73 2HB ASP 73 7.264 -7.279 -3.807 602 HB3 ASP 73 1HB ASP 73 5.529 -7.580 -3.754 603 H ASN 74 H ASN 74 3.844 -5.955 -3.452 604 HA ASN 74 HA ASN 74 2.170 -6.278 -5.725 605 HB2 ASN 74 2HB ASN 74 1.352 -5.659 -2.858 606 HB3 ASN 74 1HB ASN 74 0.301 -6.288 -4.120 607 HD21 ASN 74 1HD2 ASN 74 2.496 -8.156 -5.081 608 HD22 ASN 74 2HD2 ASN 74 2.490 -9.422 -3.915 609 H GLU 75 H GLU 75 2.983 -3.571 -3.635 610 HA GLU 75 HA GLU 75 1.116 -1.705 -4.749 611 HB2 GLU 75 2HB GLU 75 1.986 -1.409 -2.476 612 HB3 GLU 75 1HB GLU 75 3.633 -1.265 -3.085 613 HG2 GLU 75 2HG GLU 75 2.989 0.816 -4.269 614 HG3 GLU 75 1HG GLU 75 1.360 0.677 -3.613 615 H GLN 76 H GLN 76 4.479 -2.634 -5.477 616 HA GLN 76 HA GLN 76 5.061 -0.566 -7.344 617 HB2 GLN 76 2HB GLN 76 6.795 -2.102 -6.409 618 HB3 GLN 76 1HB GLN 76 6.107 -3.438 -7.326 619 HG2 GLN 76 2HG GLN 76 6.636 -2.166 -9.437 620 HG3 GLN 76 1HG GLN 76 7.445 -0.954 -8.444 621 HE21 GLN 76 1HE2 GLN 76 9.486 -1.296 -9.330 622 HE22 GLN 76 2HE2 GLN 76 10.387 -2.752 -9.098 623 H LEU 77 H LEU 77 3.607 -3.776 -7.676 624 HA LEU 77 HA LEU 77 3.103 -3.670 -10.470 625 HB2 LEU 77 2HB LEU 77 1.990 -5.353 -8.207 626 HB3 LEU 77 1HB LEU 77 1.391 -5.528 -9.847 627 HG LEU 77 HG LEU 77 4.312 -5.929 -9.069 628 HD11 LEU 77 1HD1 LEU 77 2.922 -7.654 -7.999 629 HD12 LEU 77 2HD1 LEU 77 3.912 -8.345 -9.281 630 HD13 LEU 77 3HD1 LEU 77 2.192 -8.055 -9.556 631 HD21 LEU 77 1HD2 LEU 77 4.506 -6.967 -11.303 632 HD22 LEU 77 2HD2 LEU 77 4.018 -5.279 -11.407 633 HD23 LEU 77 3HD2 LEU 77 2.823 -6.557 -11.642 634 H LEU 78 H LEU 78 1.111 -2.811 -7.619 635 HA LEU 78 HA LEU 78 -1.194 -1.878 -8.964 636 HB2 LEU 78 2HB LEU 78 0.042 -1.189 -6.274 637 HB3 LEU 78 1HB LEU 78 -1.388 -0.339 -6.829 638 HG LEU 78 HG LEU 78 -1.261 -3.361 -6.457 639 HD11 LEU 78 1HD1 LEU 78 -1.015 -2.206 -4.283 640 HD12 LEU 78 2HD1 LEU 78 -2.551 -3.060 -4.407 641 HD13 LEU 78 3HD1 LEU 78 -2.503 -1.302 -4.596 642 HD21 LEU 78 1HD2 LEU 78 -2.928 -2.644 -8.097 643 HD22 LEU 78 2HD2 LEU 78 -3.612 -1.503 -6.937 644 HD23 LEU 78 3HD2 LEU 78 -3.712 -3.240 -6.636 645 H LYS 79 H LYS 79 1.864 -0.326 -8.234 646 HA LYS 79 HA LYS 79 1.201 2.378 -8.748 647 HB2 LYS 79 2HB LYS 79 3.201 1.607 -7.445 648 HB3 LYS 79 1HB LYS 79 3.903 0.948 -8.915 649 HG2 LYS 79 2HG LYS 79 3.974 3.289 -9.841 650 HG3 LYS 79 1HG LYS 79 3.440 3.876 -8.262 651 HD2 LYS 79 2HD LYS 79 5.480 2.803 -7.237 652 HD3 LYS 79 1HD LYS 79 6.004 2.345 -8.862 653 HE2 LYS 79 2HE LYS 79 7.185 4.348 -8.208 654 HE3 LYS 79 1HE LYS 79 6.033 4.782 -9.476 655 HZ1 LYS 79 1HZ LYS 79 5.690 5.197 -6.555 656 HZ2 LYS 79 2HZ LYS 79 4.514 5.548 -7.723 657 HZ3 LYS 79 3HZ LYS 79 5.976 6.395 -7.713 658 H GLY 80 H GLY 80 2.872 -0.090 -10.701 659 HA2 GLY 80 2HA GLY 80 3.193 1.435 -13.068 660 HA3 GLY 80 1HA GLY 80 3.324 -0.313 -12.934 661 H LEU 81 H LEU 81 0.853 -1.123 -12.213 662 HA LEU 81 HA LEU 81 -0.509 -1.280 -14.650 663 HB2 LEU 81 2HB LEU 81 -0.563 -2.949 -12.807 664 HB3 LEU 81 1HB LEU 81 -1.531 -1.865 -11.837 665 HG LEU 81 HG LEU 81 -2.579 -2.905 -14.504 666 HD11 LEU 81 1HD1 LEU 81 -2.832 -4.339 -11.833 667 HD12 LEU 81 2HD1 LEU 81 -1.919 -4.897 -13.237 668 HD13 LEU 81 3HD1 LEU 81 -3.674 -4.773 -13.327 669 HD21 LEU 81 1HD2 LEU 81 -4.006 -1.983 -11.982 670 HD22 LEU 81 2HD2 LEU 81 -4.792 -2.579 -13.448 671 HD23 LEU 81 3HD2 LEU 81 -3.865 -1.080 -13.493 672 H LEU 82 H LEU 82 -1.264 0.593 -11.715 673 HA LEU 82 HA LEU 82 -3.690 1.698 -12.813 674 HB2 LEU 82 2HB LEU 82 -2.201 2.093 -10.213 675 HB3 LEU 82 1HB LEU 82 -3.643 3.014 -10.596 676 HG LEU 82 HG LEU 82 -3.709 -0.024 -10.639 677 HD11 LEU 82 1HD1 LEU 82 -4.230 1.698 -8.190 678 HD12 LEU 82 2HD1 LEU 82 -2.855 0.611 -8.415 679 HD13 LEU 82 3HD1 LEU 82 -4.489 -0.046 -8.322 680 HD21 LEU 82 1HD2 LEU 82 -5.568 1.168 -11.686 681 HD22 LEU 82 2HD2 LEU 82 -5.841 2.084 -10.201 682 HD23 LEU 82 3HD2 LEU 82 -6.097 0.338 -10.222 683 H GLN 83 H GLN 83 -0.331 2.819 -12.582 684 HA GLN 83 HA GLN 83 -0.848 5.533 -13.284 685 HB2 GLN 83 2HB GLN 83 1.376 4.753 -12.473 686 HB3 GLN 83 1HB GLN 83 1.612 3.841 -13.953 687 HG2 GLN 83 2HG GLN 83 1.198 6.840 -14.033 688 HG3 GLN 83 1HG GLN 83 2.781 6.164 -13.683 689 HE21 GLN 83 1HE2 GLN 83 1.658 7.745 -16.010 690 HE22 GLN 83 2HE2 GLN 83 2.105 6.830 -17.405 691 H GLN 84 H GLN 84 0.007 2.695 -15.253 692 HA GLN 84 HA GLN 84 -0.294 3.805 -17.811 693 HB2 GLN 84 2HB GLN 84 -0.664 0.939 -16.858 694 HB3 GLN 84 1HB GLN 84 -0.584 1.398 -18.552 695 HG2 GLN 84 2HG GLN 84 1.676 1.973 -16.618 696 HG3 GLN 84 1HG GLN 84 1.533 0.446 -17.487 697 HE21 GLN 84 1HE2 GLN 84 3.545 0.851 -18.515 698 HE22 GLN 84 2HE2 GLN 84 3.675 1.974 -19.823 699 H ARG 85 H ARG 85 -2.640 2.392 -15.607 700 HA ARG 85 HA ARG 85 -4.714 2.034 -17.543 701 HB2 ARG 85 2HB ARG 85 -4.422 0.646 -15.423 702 HB3 ARG 85 1HB ARG 85 -5.024 2.027 -14.511 703 HG2 ARG 85 2HG ARG 85 -6.799 0.385 -14.897 704 HG3 ARG 85 1HG ARG 85 -7.171 1.902 -15.714 705 HD2 ARG 85 2HD ARG 85 -6.517 0.967 -17.865 706 HD3 ARG 85 1HD ARG 85 -5.945 -0.517 -17.099 707 HE ARG 85 HE ARG 85 -8.584 -0.394 -16.398 708 HH11 ARG 85 1HH1 ARG 85 -6.942 -0.308 -19.520 709 HH12 ARG 85 2HH1 ARG 85 -8.260 -1.057 -20.356 710 HH21 ARG 85 1HH2 ARG 85 -10.272 -1.450 -17.533 711 HH22 ARG 85 2HH2 ARG 85 -10.130 -1.695 -19.247 712 H LEU 86 H LEU 86 -4.252 4.337 -14.804 713 HA LEU 86 HA LEU 86 -6.582 5.862 -15.262 714 HB2 LEU 86 2HB LEU 86 -3.963 6.578 -13.905 715 HB3 LEU 86 1HB LEU 86 -5.301 7.712 -13.998 716 HG LEU 86 HG LEU 86 -5.409 5.009 -12.607 717 HD11 LEU 86 1HD1 LEU 86 -5.308 7.789 -11.386 718 HD12 LEU 86 2HD1 LEU 86 -3.945 6.672 -11.484 719 HD13 LEU 86 3HD1 LEU 86 -5.355 6.247 -10.526 720 HD21 LEU 86 1HD2 LEU 86 -7.592 5.804 -11.732 721 HD22 LEU 86 2HD2 LEU 86 -7.602 5.632 -13.485 722 HD23 LEU 86 3HD2 LEU 86 -7.477 7.237 -12.760 723 H ASP 87 H ASP 87 -3.259 6.249 -16.457 724 HA ASP 87 HA ASP 87 -3.549 8.722 -17.778 725 HB2 ASP 87 2HB ASP 87 -1.364 7.733 -17.314 726 HB3 ASP 87 1HB ASP 87 -1.709 6.355 -18.349 727 H GLU 88 H GLU 88 -3.822 5.383 -19.025 728 HA GLU 88 HA GLU 88 -4.600 5.877 -21.664 729 HB2 GLU 88 2HB GLU 88 -3.890 3.663 -20.872 730 HB3 GLU 88 1HB GLU 88 -5.296 3.552 -19.819 731 HG2 GLU 88 2HG GLU 88 -6.756 3.588 -21.875 732 HG3 GLU 88 1HG GLU 88 -5.292 3.527 -22.857 733 H LEU 89 H LEU 89 -6.668 5.116 -18.861 734 HA LEU 89 HA LEU 89 -9.161 5.321 -20.056 735 HB2 LEU 89 2HB LEU 89 -8.380 5.761 -17.147 736 HB3 LEU 89 1HB LEU 89 -10.044 5.675 -17.695 737 HG LEU 89 HG LEU 89 -8.010 3.411 -17.812 738 HD11 LEU 89 1HD1 LEU 89 -10.462 3.755 -16.049 739 HD12 LEU 89 2HD1 LEU 89 -8.774 3.853 -15.535 740 HD13 LEU 89 3HD1 LEU 89 -9.428 2.322 -16.112 741 HD21 LEU 89 1HD2 LEU 89 -9.858 1.986 -18.584 742 HD22 LEU 89 2HD2 LEU 89 -9.516 3.277 -19.732 743 HD23 LEU 89 3HD2 LEU 89 -10.921 3.393 -18.669 744 H SER 90 H SER 90 -7.227 7.830 -18.457 745 HA SER 90 HA SER 90 -9.170 9.900 -18.490 746 HB2 SER 90 2HB SER 90 -7.157 9.920 -17.029 747 HB3 SER 90 1HB SER 90 -6.122 10.113 -18.444 748 HG SER 90 HG SER 90 -7.204 12.111 -18.833 749 H SER 91 H SER 91 -6.586 8.957 -20.736 750 HA SER 91 HA SER 91 -6.981 10.883 -22.751 751 HB2 SER 91 2HB SER 91 -5.015 9.395 -22.665 752 HB3 SER 91 1HB SER 91 -6.033 7.997 -22.998 753 HG SER 91 HG SER 91 -5.679 8.419 -25.016 754 H LEU 92 H LEU 92 -8.588 7.746 -22.178 755 HA LEU 92 HA LEU 92 -10.093 7.625 -24.597 756 HB2 LEU 92 2HB LEU 92 -10.760 6.284 -21.938 757 HB3 LEU 92 1HB LEU 92 -11.350 5.811 -23.523 758 HG LEU 92 HG LEU 92 -8.522 5.523 -22.471 759 HD11 LEU 92 1HD1 LEU 92 -8.877 3.114 -22.703 760 HD12 LEU 92 2HD1 LEU 92 -10.538 3.405 -23.226 761 HD13 LEU 92 3HD1 LEU 92 -10.037 3.846 -21.592 762 HD21 LEU 92 1HD2 LEU 92 -9.508 4.884 -25.256 763 HD22 LEU 92 2HD2 LEU 92 -7.932 4.435 -24.596 764 HD23 LEU 92 3HD2 LEU 92 -8.345 6.134 -24.801 765 H ILE 93 H ILE 93 -10.729 8.881 -21.382 766 HA ILE 93 HA ILE 93 -13.492 9.503 -21.682 767 HB ILE 93 HB ILE 93 -11.369 10.449 -19.699 768 HG12 ILE 93 2HG1 ILE 93 -13.773 8.606 -19.280 769 HG13 ILE 93 1HG1 ILE 93 -12.150 8.035 -19.629 770 HG21 ILE 93 1HG2 ILE 93 -13.167 11.437 -18.312 771 HG22 ILE 93 2HG2 ILE 93 -14.338 11.110 -19.591 772 HG23 ILE 93 3HG2 ILE 93 -13.029 12.257 -19.870 773 HD11 ILE 93 1HD1 ILE 93 -13.015 9.544 -17.168 774 HD12 ILE 93 2HD1 ILE 93 -11.359 9.048 -17.534 775 HD13 ILE 93 3HD1 ILE 93 -12.609 7.831 -17.289 776 H GLY 94 H GLY 94 -10.488 11.352 -22.177 777 HA2 GLY 94 2HA GLY 94 -11.638 12.994 -24.192 778 HA3 GLY 94 1HA GLY 94 -11.546 13.899 -22.682 779 H GLN 95 H GLN 95 -9.285 13.431 -21.544 780 HA GLN 95 HA GLN 95 -6.983 13.378 -23.245 781 HB2 GLN 95 2HB GLN 95 -7.951 15.658 -23.765 782 HB3 GLN 95 1HB GLN 95 -7.812 16.084 -22.064 783 HG2 GLN 95 2HG GLN 95 -5.360 15.867 -22.202 784 HG3 GLN 95 1HG GLN 95 -5.488 15.406 -23.902 785 HE21 GLN 95 1HE2 GLN 95 -6.105 17.005 -25.429 786 HE22 GLN 95 2HE2 GLN 95 -5.977 18.691 -25.073 787 H VAL 96 H VAL 96 -5.074 13.370 -21.999 788 HA VAL 96 HA VAL 96 -5.288 13.642 -19.059 789 HB VAL 96 HB VAL 96 -5.141 11.235 -19.628 790 HG11 VAL 96 1HG1 VAL 96 -2.535 11.872 -21.032 791 HG12 VAL 96 2HG1 VAL 96 -4.037 11.343 -21.791 792 HG13 VAL 96 3HG1 VAL 96 -3.165 10.252 -20.712 793 HG21 VAL 96 1HG2 VAL 96 -4.103 11.973 -17.536 794 HG22 VAL 96 2HG2 VAL 96 -2.576 12.275 -18.368 795 HG23 VAL 96 3HG2 VAL 96 -3.192 10.626 -18.223 796 H LEU 97 H LEU 97 -3.578 14.722 -18.104 797 HA LEU 97 HA LEU 97 -1.234 15.512 -19.701 798 HB2 LEU 97 2HB LEU 97 -2.884 17.377 -19.890 799 HB3 LEU 97 1HB LEU 97 -2.973 17.472 -18.140 800 HG LEU 97 HG LEU 97 -0.607 18.205 -18.040 801 HD11 LEU 97 1HD1 LEU 97 0.304 17.080 -20.006 802 HD12 LEU 97 2HD1 LEU 97 0.644 18.810 -20.066 803 HD13 LEU 97 3HD1 LEU 97 -0.640 18.133 -21.071 804 HD21 LEU 97 1HD2 LEU 97 -2.291 19.892 -19.918 805 HD22 LEU 97 2HD2 LEU 97 -0.903 20.455 -18.980 806 HD23 LEU 97 3HD2 LEU 97 -2.357 19.906 -18.153 807 H PHE 98 H PHE 98 0.572 15.979 -18.460 808 HA PHE 98 HA PHE 98 0.961 14.543 -16.058 809 HB2 PHE 98 2HB PHE 98 2.774 16.757 -17.117 810 HB3 PHE 98 1HB PHE 98 3.236 15.366 -16.140 811 HD1 PHE 98 HD1 PHE 98 2.667 16.605 -19.508 812 HD2 PHE 98 HD2 PHE 98 3.197 13.049 -17.188 813 HE1 PHE 98 HE1 PHE 98 3.111 15.331 -21.562 814 HE2 PHE 98 HE2 PHE 98 3.645 11.785 -19.255 815 HZ PHE 98 HZ PHE 98 3.584 12.933 -21.437 816 H GLN 99 H GLN 99 0.629 17.999 -16.755 817 HA GLN 99 HA GLN 99 0.414 18.802 -13.988 818 HB2 GLN 99 2HB GLN 99 -0.382 20.345 -16.508 819 HB3 GLN 99 1HB GLN 99 -0.294 21.012 -14.887 820 HG2 GLN 99 2HG GLN 99 1.613 21.770 -16.095 821 HG3 GLN 99 1HG GLN 99 2.181 20.591 -14.918 822 HE21 GLN 99 1HE2 GLN 99 1.472 21.096 -18.334 823 HE22 GLN 99 2HE2 GLN 99 2.505 19.841 -18.917 824 H GLY 100 H GLY 100 -1.200 17.241 -13.349 825 HA2 GLY 100 2HA GLY 100 -3.893 17.350 -14.461 826 HA3 GLY 100 1HA GLY 100 -3.326 16.329 -13.156 827 HA PRO 101 HA PRO 101 -4.800 20.869 -11.674 828 HB2 PRO 101 2HB PRO 101 -7.582 20.359 -12.735 829 HB3 PRO 101 1HB PRO 101 -6.673 21.882 -12.627 830 HG2 PRO 101 2HG PRO 101 -6.978 20.676 -14.974 831 HG3 PRO 101 1HG PRO 101 -5.420 21.434 -14.556 832 HD2 PRO 101 2HD PRO 101 -6.177 18.521 -14.519 833 HD3 PRO 101 1HD PRO 101 -4.658 19.285 -15.046 834 H SER 102 H SER 102 -4.468 19.843 -9.748 835 HA SER 102 HA SER 102 -4.921 19.101 -7.686 836 HB2 SER 102 2HB SER 102 -7.773 19.964 -8.355 837 HB3 SER 102 1HB SER 102 -7.096 19.769 -6.737 838 HG SER 102 HG SER 102 -5.869 21.503 -8.593 839 H ALA 103 H ALA 103 -4.599 17.044 -9.279 840 HA ALA 103 HA ALA 103 -4.660 14.785 -9.198 841 HB1 ALA 103 1HB ALA 103 -5.413 14.918 -6.851 842 HB2 ALA 103 2HB ALA 103 -6.119 13.535 -7.689 843 HB3 ALA 103 3HB ALA 103 -7.088 14.980 -7.392 844 H GLY 104 H GLY 104 -7.216 16.666 -10.438 845 HA2 GLY 104 2HA GLY 104 -8.565 14.473 -11.814 846 HA3 GLY 104 1HA GLY 104 -8.926 16.186 -11.935 847 H LEU 105 H LEU 105 -7.039 13.562 -13.225 848 HA LEU 105 HA LEU 105 -5.357 15.042 -15.005 849 HB2 LEU 105 2HB LEU 105 -6.261 12.140 -15.168 850 HB3 LEU 105 1HB LEU 105 -4.959 12.844 -16.114 851 HG LEU 105 HG LEU 105 -4.971 12.466 -13.095 852 HD11 LEU 105 1HD1 LEU 105 -4.699 10.364 -14.322 853 HD12 LEU 105 2HD1 LEU 105 -3.209 10.808 -13.494 854 HD13 LEU 105 3HD1 LEU 105 -3.353 11.050 -15.237 855 HD21 LEU 105 1HD2 LEU 105 -2.627 13.234 -13.133 856 HD22 LEU 105 2HD2 LEU 105 -3.728 14.501 -13.664 857 HD23 LEU 105 3HD2 LEU 105 -2.771 13.613 -14.852 858 H VAL 106 H VAL 106 -8.558 13.579 -15.310 859 HA VAL 106 HA VAL 106 -8.986 14.076 -18.085 860 HB VAL 106 HB VAL 106 -11.406 13.705 -17.615 861 HG11 VAL 106 1HG1 VAL 106 -11.245 11.389 -16.772 862 HG12 VAL 106 2HG1 VAL 106 -9.596 11.706 -16.223 863 HG13 VAL 106 3HG1 VAL 106 -9.978 11.758 -17.945 864 HG21 VAL 106 1HG2 VAL 106 -10.615 13.610 -14.670 865 HG22 VAL 106 2HG2 VAL 106 -12.204 13.189 -15.318 866 HG23 VAL 106 3HG2 VAL 106 -11.611 14.846 -15.441 867 HA PRO 107 HA PRO 107 -10.168 18.527 -18.021 868 HB2 PRO 107 2HB PRO 107 -12.130 17.645 -20.150 869 HB3 PRO 107 1HB PRO 107 -10.948 18.974 -20.192 870 HG2 PRO 107 2HG PRO 107 -10.487 16.753 -21.568 871 HG3 PRO 107 1HG PRO 107 -9.155 17.553 -20.696 872 HD2 PRO 107 2HD PRO 107 -10.728 15.102 -19.904 873 HD3 PRO 107 1HD PRO 107 -8.981 15.413 -19.775 874 H ARG 108 H ARG 108 -11.325 19.020 -16.227 875 HA ARG 108 HA ARG 108 -13.479 17.448 -15.237 876 HB2 ARG 108 2HB ARG 108 -11.777 18.818 -13.872 877 HB3 ARG 108 1HB ARG 108 -12.715 20.242 -14.286 878 HG2 ARG 108 2HG ARG 108 -13.907 17.866 -12.813 879 HG3 ARG 108 1HG ARG 108 -13.137 19.210 -11.981 880 HD2 ARG 108 2HD ARG 108 -14.831 20.757 -12.840 881 HD3 ARG 108 1HD ARG 108 -15.555 19.473 -13.809 882 HE ARG 108 HE ARG 108 -15.515 18.790 -11.046 883 HH11 ARG 108 1HH1 ARG 108 -17.319 20.754 -13.364 884 HH12 ARG 108 2HH1 ARG 108 -18.778 20.706 -12.430 885 HH21 ARG 108 1HH2 ARG 108 -17.454 18.677 -9.898 886 HH22 ARG 108 2HH2 ARG 108 -18.856 19.530 -10.468 887 H GLY 109 H GLY 109 -15.129 17.418 -16.739 888 HA2 GLY 109 2HA GLY 109 -16.685 19.889 -17.177 889 HA3 GLY 109 1HA GLY 109 -16.960 18.320 -17.930 890 H SER 110 H SER 110 -17.733 16.583 -16.603 891 HA SER 110 HA SER 110 -18.810 17.036 -13.976 892 HB2 SER 110 2HB SER 110 -20.721 16.635 -16.337 893 HB3 SER 110 1HB SER 110 -21.199 16.480 -14.644 894 HG SER 110 HG SER 110 -20.076 18.793 -14.729 895 H GLY 111 H GLY 111 -20.087 14.998 -13.289 896 HA2 GLY 111 2HA GLY 111 -20.774 12.749 -13.810 897 HA3 GLY 111 1HA GLY 111 -19.348 12.558 -14.809 898 H GLY 112 H GLY 112 -19.948 10.614 -13.036 899 HA2 GLY 112 2HA GLY 112 -18.651 10.873 -10.474 900 HA3 GLY 112 1HA GLY 112 -19.222 9.387 -11.214 901 H ILE 113 H ILE 113 -17.400 10.511 -13.608 902 HA ILE 113 HA ILE 113 -15.091 8.959 -13.241 903 HB ILE 113 HB ILE 113 -14.064 10.335 -15.090 904 HG12 ILE 113 2HG1 ILE 113 -16.683 11.910 -15.009 905 HG13 ILE 113 1HG1 ILE 113 -15.140 12.523 -14.431 906 HG21 ILE 113 1HG2 ILE 113 -15.664 9.657 -16.845 907 HG22 ILE 113 2HG2 ILE 113 -16.911 9.405 -15.623 908 HG23 ILE 113 3HG2 ILE 113 -15.468 8.390 -15.634 909 HD11 ILE 113 1HD1 ILE 113 -15.809 11.792 -17.277 910 HD12 ILE 113 2HD1 ILE 113 -14.238 12.363 -16.703 911 HD13 ILE 113 3HD1 ILE 113 -15.651 13.411 -16.599 912 H GLU 114 H GLU 114 -15.789 12.283 -12.316 913 HA GLU 114 HA GLU 114 -13.318 13.284 -11.538 914 HB2 GLU 114 2HB GLU 114 -16.045 13.648 -10.208 915 HB3 GLU 114 1HB GLU 114 -14.638 14.632 -9.825 916 HG2 GLU 114 2HG GLU 114 -14.624 15.563 -12.089 917 HG3 GLU 114 1HG GLU 114 -15.943 14.487 -12.562 918 H GLY 115 H GLY 115 -15.617 11.267 -9.741 919 HA2 GLY 115 2HA GLY 115 -14.313 11.016 -7.291 920 HA3 GLY 115 1HA GLY 115 -15.420 9.834 -7.982 921 H MET1001 H MET 1 -14.301 8.682 -10.006 922 HA MET1001 HA MET 1 -12.508 6.830 -8.963 923 HB2 MET1001 2HB MET 1 -13.919 6.372 -10.920 924 HB3 MET1001 1HB MET 1 -13.019 7.535 -11.880 925 HG2 MET1001 2HG MET 1 -10.990 6.099 -11.641 926 HG3 MET1001 1HG MET 1 -11.970 4.912 -10.779 927 HE1 MET1001 1HE MET 1 -12.652 6.033 -15.224 928 HE2 MET1001 2HE MET 1 -11.365 6.741 -14.245 929 HE3 MET1001 3HE MET 1 -13.054 7.120 -13.896 930 H THR1002 H THR 2 -11.785 9.621 -11.089 931 HA THR1002 HA THR 2 -9.033 9.030 -11.442 932 HB THR1002 HB THR 2 -8.838 11.391 -12.302 933 HG1 THR1002 HG1 THR 2 -11.616 11.714 -12.214 934 HG21 THR1002 1HG2 THR 2 -10.271 11.056 -14.287 935 HG22 THR1002 2HG2 THR 2 -11.151 9.779 -13.445 936 HG23 THR1002 3HG2 THR 2 -9.443 9.563 -13.836 937 H THR1003 H THR 3 -10.659 11.488 -9.393 938 HA THR1003 HA THR 3 -8.346 12.599 -8.260 939 HB THR1003 HB THR 3 -11.171 12.487 -7.107 940 HG1 THR1003 HG1 THR 3 -10.918 13.431 -9.229 941 HG21 THR1003 1HG2 THR 3 -9.534 13.198 -5.381 942 HG22 THR1003 2HG2 THR 3 -10.569 14.540 -5.871 943 HG23 THR1003 3HG2 THR 3 -8.914 14.435 -6.477 944 H ARG1004 H ARG 4 -10.420 9.940 -7.175 945 HA ARG1004 HA ARG 4 -9.261 9.435 -4.653 946 HB2 ARG1004 2HB ARG 4 -10.836 7.657 -6.549 947 HB3 ARG1004 1HB ARG 4 -10.260 7.072 -4.994 948 HG2 ARG1004 2HG ARG 4 -11.616 8.747 -3.827 949 HG3 ARG1004 1HG ARG 4 -12.173 9.397 -5.373 950 HD2 ARG1004 2HD ARG 4 -13.192 7.182 -5.904 951 HD3 ARG1004 1HD ARG 4 -12.674 6.588 -4.321 952 HE ARG1004 HE ARG 4 -14.179 8.887 -3.879 953 HH11 ARG1004 1HH1 ARG 4 -14.733 5.654 -5.166 954 HH12 ARG1004 2HH1 ARG 4 -16.396 5.612 -4.685 955 HH21 ARG1004 1HH2 ARG 4 -16.383 8.809 -3.254 956 HH22 ARG1004 2HH2 ARG 4 -17.329 7.397 -3.603 957 H LEU1005 H LEU 5 -8.713 7.796 -7.811 958 HA LEU1005 HA LEU 5 -6.732 6.039 -6.739 959 HB2 LEU1005 2HB LEU 5 -7.769 6.524 -9.538 960 HB3 LEU1005 1HB LEU 5 -6.348 5.528 -9.290 961 HG LEU1005 HG LEU 5 -9.125 4.954 -8.190 962 HD11 LEU1005 1HD1 LEU 5 -7.535 3.558 -10.372 963 HD12 LEU1005 2HD1 LEU 5 -8.981 4.548 -10.593 964 HD13 LEU1005 3HD1 LEU 5 -9.093 3.017 -9.727 965 HD21 LEU1005 1HD2 LEU 5 -7.417 4.185 -6.607 966 HD22 LEU1005 2HD2 LEU 5 -6.580 3.319 -7.895 967 HD23 LEU1005 3HD2 LEU 5 -8.195 2.812 -7.394 968 H THR1006 H THR 6 -6.500 9.195 -8.322 969 HA THR1006 HA THR 6 -3.644 9.000 -8.801 970 HB THR1006 HB THR 6 -3.779 11.505 -9.164 971 HG1 THR1006 HG1 THR 6 -6.395 11.804 -9.358 972 HG21 THR1006 1HG2 THR 6 -4.094 9.971 -11.080 973 HG22 THR1006 2HG2 THR 6 -5.130 11.390 -11.238 974 HG23 THR1006 3HG2 THR 6 -5.819 9.854 -10.714 975 H ARG1007 H ARG 7 -5.720 10.467 -6.282 976 HA ARG1007 HA ARG 7 -3.722 11.395 -4.510 977 HB2 ARG1007 2HB ARG 7 -6.104 11.908 -4.175 978 HB3 ARG1007 1HB ARG 7 -6.468 10.208 -3.923 979 HG2 ARG1007 2HG ARG 7 -5.082 10.266 -1.836 980 HG3 ARG1007 1HG ARG 7 -4.851 11.998 -2.079 981 HD2 ARG1007 2HD ARG 7 -7.225 12.411 -1.813 982 HD3 ARG1007 1HD ARG 7 -7.570 10.678 -1.773 983 HE ARG1007 HE ARG 7 -5.842 11.878 0.293 984 HH11 ARG1007 1HH1 ARG 7 -8.907 10.308 -0.488 985 HH12 ARG1007 2HH1 ARG 7 -9.299 10.006 1.175 986 HH21 ARG1007 1HH2 ARG 7 -6.356 11.437 2.450 987 HH22 ARG1007 2HH2 ARG 7 -7.852 10.645 2.841 988 H TRP1008 H TRP 8 -5.208 8.246 -4.949 989 HA TRP1008 HA TRP 8 -3.952 6.818 -2.874 990 HB2 TRP1008 2HB TRP 8 -5.794 5.664 -3.627 991 HB3 TRP1008 1HB TRP 8 -5.616 6.214 -5.282 992 HD1 TRP1008 HD1 TRP 8 -3.975 4.730 -6.879 993 HE1 TRP1008 HE1 TRP 8 -3.405 2.244 -6.813 994 HE3 TRP1008 HE3 TRP 8 -5.401 3.663 -2.082 995 HZ2 TRP1008 HZ2 TRP 8 -3.575 0.094 -5.041 996 HZ3 TRP1008 HZ3 TRP 8 -5.187 1.349 -1.284 997 HH2 TRP1008 HH2 TRP 8 -4.286 -0.403 -2.737 998 H LEU1009 H LEU 9 -3.023 7.300 -6.329 999 HA LEU1009 HA LEU 9 -0.769 5.546 -6.243 1000 HB2 LEU1009 2HB LEU 9 -1.559 7.731 -8.194 1001 HB3 LEU1009 1HB LEU 9 -0.060 6.839 -8.377 1002 HG LEU1009 HG LEU 9 -2.872 5.686 -8.536 1003 HD11 LEU1009 1HD1 LEU 9 -0.726 5.979 -10.668 1004 HD12 LEU1009 2HD1 LEU 9 -2.187 6.960 -10.518 1005 HD13 LEU1009 3HD1 LEU 9 -2.321 5.242 -10.877 1006 HD21 LEU1009 1HD2 LEU 9 -1.840 3.536 -9.090 1007 HD22 LEU1009 2HD2 LEU 9 -1.384 4.048 -7.469 1008 HD23 LEU1009 3HD2 LEU 9 -0.232 4.207 -8.796 1009 H THR1010 H THR 10 -1.113 9.036 -5.650 1010 HA THR1010 HA THR 10 1.744 9.424 -5.353 1011 HB THR1010 HB THR 10 0.195 11.286 -6.113 1012 HG1 THR1010 HG1 THR 10 2.284 11.771 -5.355 1013 HG21 THR1010 1HG2 THR 10 -0.542 11.468 -3.169 1014 HG22 THR1010 2HG2 THR 10 -1.633 10.982 -4.466 1015 HG23 THR1010 3HG2 THR 10 -0.988 12.624 -4.427 1016 H ALA1011 H ALA 11 -0.920 8.484 -3.290 1017 HA ALA1011 HA ALA 11 0.489 8.749 -0.778 1018 HB1 ALA1011 1HB ALA 11 -1.969 8.757 -0.874 1019 HB2 ALA1011 2HB ALA 11 -1.384 7.450 0.156 1020 HB3 ALA1011 3HB ALA 11 -1.966 7.100 -1.475 1021 H LEU1012 H LEU 12 0.174 6.275 -3.266 1022 HA LEU1012 HA LEU 12 1.425 4.126 -1.845 1023 HB2 LEU1012 2HB LEU 12 1.272 4.615 -4.861 1024 HB3 LEU1012 1HB LEU 12 1.832 3.134 -4.110 1025 HG LEU1012 HG LEU 12 -0.996 4.191 -4.289 1026 HD11 LEU1012 1HD1 LEU 12 -1.463 2.002 -5.291 1027 HD12 LEU1012 2HD1 LEU 12 0.226 1.533 -5.077 1028 HD13 LEU1012 3HD1 LEU 12 -0.192 2.857 -6.166 1029 HD21 LEU1012 1HD2 LEU 12 -0.060 1.997 -2.414 1030 HD22 LEU1012 2HD2 LEU 12 -1.746 2.343 -2.818 1031 HD23 LEU1012 3HD2 LEU 12 -0.785 3.546 -1.966 1032 H ASP1013 H ASP 13 2.480 6.497 -4.229 1033 HA ASP1013 HA ASP 13 5.230 5.977 -4.286 1034 HB2 ASP1013 2HB ASP 13 3.991 7.324 -5.987 1035 HB3 ASP1013 1HB ASP 13 3.762 8.612 -4.812 1036 H ASN1014 H ASN 14 3.254 7.918 -2.090 1037 HA ASN1014 HA ASN 14 5.395 9.257 -0.747 1038 HB2 ASN1014 2HB ASN 14 2.960 10.011 -0.736 1039 HB3 ASN1014 1HB ASN 14 2.616 8.705 0.391 1040 HD21 ASN1014 1HD2 ASN 14 4.310 11.757 -0.042 1041 HD22 ASN1014 2HD2 ASN 14 4.550 12.084 1.637 1042 H PHE1015 H PHE 15 3.450 6.339 0.009 1043 HA PHE1015 HA PHE 15 4.653 5.639 2.464 1044 HB2 PHE1015 2HB PHE 15 2.599 4.575 1.869 1045 HB3 PHE1015 1HB PHE 15 3.212 4.043 0.309 1046 HD1 PHE1015 HD1 PHE 15 3.770 1.817 0.109 1047 HD2 PHE1015 HD2 PHE 15 3.928 3.536 3.992 1048 HE1 PHE1015 HE1 PHE 15 4.261 -0.393 1.039 1049 HE2 PHE1015 HE2 PHE 15 4.434 1.316 4.941 1050 HZ PHE1015 HZ PHE 15 4.595 -0.650 3.459 1051 H GLU1016 H GLU 16 5.193 4.219 -0.741 1052 HA GLU1016 HA GLU 16 7.451 2.778 -0.582 1053 HB2 GLU1016 2HB GLU 16 6.212 2.977 -2.618 1054 HB3 GLU1016 1HB GLU 16 6.471 4.714 -2.703 1055 HG2 GLU1016 2HG GLU 16 8.844 4.333 -3.231 1056 HG3 GLU1016 1HG GLU 16 8.587 2.592 -3.122 1057 H ALA1017 H ALA 17 7.405 6.322 -1.080 1058 HA ALA1017 HA ALA 17 10.181 6.749 -1.145 1059 HB1 ALA1017 1HB ALA 17 8.023 8.692 -0.252 1060 HB2 ALA1017 2HB ALA 17 8.549 8.421 -1.913 1061 HB3 ALA1017 3HB ALA 17 9.675 9.110 -0.745 1062 H LYS1018 H LYS 18 7.920 7.365 1.563 1063 HA LYS1018 HA LYS 18 9.829 8.200 3.447 1064 HB2 LYS1018 2HB LYS 18 7.077 6.989 3.938 1065 HB3 LYS1018 1HB LYS 18 8.017 7.870 5.133 1066 HG2 LYS1018 2HG LYS 18 6.962 9.063 2.558 1067 HG3 LYS1018 1HG LYS 18 6.161 9.176 4.124 1068 HD2 LYS1018 2HD LYS 18 8.171 10.364 5.023 1069 HD3 LYS1018 1HD LYS 18 8.881 10.330 3.403 1070 HE2 LYS1018 2HE LYS 18 6.982 11.651 2.541 1071 HE3 LYS1018 1HE LYS 18 6.252 11.660 4.147 1072 HZ1 LYS1018 1HZ LYS 18 8.877 12.868 3.459 1073 HZ2 LYS1018 2HZ LYS 18 8.121 12.924 4.972 1074 HZ3 LYS1018 3HZ LYS 18 7.425 13.714 3.649 1075 H MET1019 H MET 19 8.645 4.993 2.634 1076 HA MET1019 HA MET 19 9.753 3.842 5.072 1077 HB2 MET1019 2HB MET 19 8.511 1.939 4.698 1078 HB3 MET1019 1HB MET 19 7.475 3.170 4.014 1079 HG2 MET1019 2HG MET 19 7.702 2.359 1.868 1080 HG3 MET1019 1HG MET 19 9.336 1.754 2.139 1081 HE1 MET1019 1HE MET 19 8.688 0.211 4.998 1082 HE2 MET1019 2HE MET 19 9.839 -0.302 3.761 1083 HE3 MET1019 3HE MET 19 8.593 -1.418 4.335 1084 H ALA1020 H ALA 20 10.600 4.076 1.655 1085 HA ALA1020 HA ALA 20 13.025 2.524 1.985 1086 HB1 ALA1020 1HB ALA 20 12.042 2.906 -0.245 1087 HB2 ALA1020 2HB ALA 20 13.704 3.509 -0.164 1088 HB3 ALA1020 3HB ALA 20 12.348 4.638 -0.087 1089 H LEU1021 H LEU 21 11.984 5.710 2.856 1090 HA LEU1021 HA LEU 21 14.652 6.772 3.376 1091 HB2 LEU1021 2HB LEU 21 11.880 7.906 3.953 1092 HB3 LEU1021 1HB LEU 21 13.370 8.737 4.360 1093 HG LEU1021 HG LEU 21 12.495 8.041 1.528 1094 HD11 LEU1021 1HD1 LEU 21 12.403 10.737 2.927 1095 HD12 LEU1021 2HD1 LEU 21 11.014 9.740 2.484 1096 HD13 LEU1021 3HD1 LEU 21 12.034 10.432 1.226 1097 HD21 LEU1021 1HD2 LEU 21 14.841 9.694 2.496 1098 HD22 LEU1021 2HD2 LEU 21 14.334 9.516 0.814 1099 HD23 LEU1021 3HD2 LEU 21 14.911 8.113 1.709 1100 H LEU1022 H LEU 22 12.318 4.824 5.101 1101 HA LEU1022 HA LEU 22 12.671 5.294 7.748 1102 HB2 LEU1022 2HB LEU 22 12.694 2.644 6.295 1103 HB3 LEU1022 1HB LEU 22 12.874 2.678 8.040 1104 HG LEU1022 HG LEU 22 10.470 3.724 6.491 1105 HD11 LEU1022 1HD1 LEU 22 9.255 1.820 7.483 1106 HD12 LEU1022 2HD1 LEU 22 10.766 1.218 8.178 1107 HD13 LEU1022 3HD1 LEU 22 10.565 1.295 6.424 1108 HD21 LEU1022 1HD2 LEU 22 9.387 3.997 8.690 1109 HD22 LEU1022 2HD2 LEU 22 10.799 5.035 8.521 1110 HD23 LEU1022 3HD2 LEU 22 10.899 3.564 9.493 1111 HA PRO1023 HA PRO 23 17.112 5.917 7.995 1112 HB2 PRO1023 2HB PRO 23 16.587 5.858 10.970 1113 HB3 PRO1023 1HB PRO 23 17.406 7.096 9.989 1114 HG2 PRO1023 2HG PRO 23 14.954 7.554 10.863 1115 HG3 PRO1023 1HG PRO 23 15.398 8.002 9.198 1116 HD2 PRO1023 2HD PRO 23 13.843 5.595 10.146 1117 HD3 PRO1023 1HD PRO 23 13.514 6.681 8.775 1118 H ALA1024 H ALA 24 15.692 3.563 10.310 1119 HA ALA1024 HA ALA 24 17.460 1.452 9.609 1120 HB1 ALA1024 1HB ALA 24 18.058 2.778 12.287 1121 HB2 ALA1024 2HB ALA 24 19.113 2.803 10.874 1122 HB3 ALA1024 3HB ALA 24 18.774 1.277 11.691 1123 H VAL1025 H VAL 25 15.445 0.327 9.490 1124 HA VAL1025 HA VAL 25 14.528 -0.641 12.133 1125 HB VAL1025 HB VAL 25 12.660 0.414 11.068 1126 HG11 VAL1025 1HG1 VAL 25 13.102 -1.290 8.596 1127 HG12 VAL1025 2HG1 VAL 25 13.357 0.451 8.731 1128 HG13 VAL1025 3HG1 VAL 25 11.730 -0.212 8.875 1129 HG21 VAL1025 1HG2 VAL 25 12.337 -2.601 10.830 1130 HG22 VAL1025 2HG2 VAL 25 11.017 -1.435 10.953 1131 HG23 VAL1025 3HG2 VAL 25 12.140 -1.641 12.298 Start of MODEL 9 1 H1 MET 1 1H MET 1 5.993 -4.653 24.839 2 H2 MET 1 2H MET 1 6.047 -6.074 25.747 3 H3 MET 1 3H MET 1 4.629 -5.159 25.700 4 HA MET 1 HA MET 1 5.874 -6.575 23.425 5 HB2 MET 1 2HB MET 1 4.818 -8.082 25.111 6 HB3 MET 1 1HB MET 1 3.314 -7.187 24.974 7 HG2 MET 1 2HG MET 1 3.142 -7.900 22.602 8 HG3 MET 1 1HG MET 1 4.618 -8.841 22.802 9 HE1 MET 1 1HE MET 1 1.798 -11.576 22.556 10 HE2 MET 1 2HE MET 1 3.315 -10.995 21.870 11 HE3 MET 1 3HE MET 1 1.840 -10.034 21.698 12 H THR 2 H THR 2 3.926 -3.913 24.402 13 HA THR 2 HA THR 2 1.871 -3.948 22.490 14 HB THR 2 HB THR 2 1.815 -2.458 24.463 15 HG1 THR 2 HG1 THR 2 1.608 -1.013 22.008 16 HG21 THR 2 1HG2 THR 2 3.004 -0.302 24.469 17 HG22 THR 2 2HG2 THR 2 3.833 -0.739 22.974 18 HG23 THR 2 3HG2 THR 2 4.153 -1.643 24.456 19 H SER 3 H SER 3 5.182 -2.681 22.258 20 HA SER 3 HA SER 3 4.951 -1.345 19.788 21 HB2 SER 3 2HB SER 3 7.458 -1.597 19.679 22 HB3 SER 3 1HB SER 3 6.881 -0.953 21.218 23 HG SER 3 HG SER 3 8.315 -3.165 20.762 24 H THR 4 H THR 4 5.928 -4.645 20.601 25 HA THR 4 HA THR 4 6.476 -5.743 18.125 26 HB THR 4 HB THR 4 5.139 -7.099 20.515 27 HG1 THR 4 HG1 THR 4 7.586 -7.656 20.716 28 HG21 THR 4 1HG2 THR 4 6.792 -8.257 18.249 29 HG22 THR 4 2HG2 THR 4 5.084 -8.568 18.567 30 HG23 THR 4 3HG2 THR 4 6.313 -9.143 19.697 31 H VAL 5 H VAL 5 3.363 -5.719 19.882 32 HA VAL 5 HA VAL 5 1.873 -7.206 18.014 33 HB VAL 5 HB VAL 5 0.855 -5.245 20.126 34 HG11 VAL 5 1HG1 VAL 5 -0.663 -7.435 18.642 35 HG12 VAL 5 2HG1 VAL 5 -0.888 -5.696 18.430 36 HG13 VAL 5 3HG1 VAL 5 -1.303 -6.457 19.966 37 HG21 VAL 5 1HG2 VAL 5 0.520 -7.253 21.530 38 HG22 VAL 5 2HG2 VAL 5 2.217 -7.065 21.084 39 HG23 VAL 5 3HG2 VAL 5 1.218 -8.265 20.261 40 H GLU 6 H GLU 6 1.898 -3.666 18.644 41 HA GLU 6 HA GLU 6 0.093 -2.879 16.654 42 HB2 GLU 6 2HB GLU 6 2.456 -1.357 17.838 43 HB3 GLU 6 1HB GLU 6 1.230 -0.613 16.811 44 HG2 GLU 6 2HG GLU 6 -0.504 -1.078 18.456 45 HG3 GLU 6 1HG GLU 6 0.641 -1.965 19.462 46 H PHE 7 H PHE 7 3.647 -3.062 16.524 47 HA PHE 7 HA PHE 7 3.996 -1.934 13.970 48 HB2 PHE 7 2HB PHE 7 5.707 -2.272 15.864 49 HB3 PHE 7 1HB PHE 7 5.886 -3.926 15.297 50 HD1 PHE 7 HD1 PHE 7 7.707 -4.315 13.858 51 HD2 PHE 7 HD2 PHE 7 5.923 -0.424 13.923 52 HE1 PHE 7 HE1 PHE 7 9.431 -3.483 12.309 53 HE2 PHE 7 HE2 PHE 7 7.646 0.394 12.377 54 HZ PHE 7 HZ PHE 7 9.404 -1.131 11.570 55 H ILE 8 H ILE 8 4.087 -5.387 14.964 56 HA ILE 8 HA ILE 8 4.438 -6.509 12.392 57 HB ILE 8 HB ILE 8 3.278 -7.779 14.914 58 HG12 ILE 8 2HG1 ILE 8 6.083 -7.993 13.720 59 HG13 ILE 8 1HG1 ILE 8 5.651 -6.977 15.091 60 HG21 ILE 8 1HG2 ILE 8 3.736 -9.990 13.875 61 HG22 ILE 8 2HG2 ILE 8 4.197 -9.188 12.373 62 HG23 ILE 8 3HG2 ILE 8 2.535 -9.081 12.953 63 HD11 ILE 8 1HD1 ILE 8 6.738 -9.010 15.806 64 HD12 ILE 8 2HD1 ILE 8 5.504 -9.986 15.010 65 HD13 ILE 8 3HD1 ILE 8 5.073 -8.963 16.383 66 H ASN 9 H ASN 9 1.460 -5.924 14.318 67 HA ASN 9 HA ASN 9 -0.323 -7.313 12.586 68 HB2 ASN 9 2HB ASN 9 -0.796 -5.232 14.750 69 HB3 ASN 9 1HB ASN 9 -2.128 -5.871 13.795 70 HD21 ASN 9 1HD2 ASN 9 0.668 -7.764 14.927 71 HD22 ASN 9 2HD2 ASN 9 -0.248 -8.770 15.982 72 H ARG 10 H ARG 10 0.756 -3.940 12.685 73 HA ARG 10 HA ARG 10 -1.140 -2.998 10.732 74 HB2 ARG 10 2HB ARG 10 1.440 -1.722 11.740 75 HB3 ARG 10 1HB ARG 10 0.271 -0.922 10.690 76 HG2 ARG 10 2HG ARG 10 -1.417 -0.950 12.408 77 HG3 ARG 10 1HG ARG 10 -0.438 -2.002 13.429 78 HD2 ARG 10 2HD ARG 10 1.284 -0.065 13.469 79 HD3 ARG 10 1HD ARG 10 -0.023 0.939 12.819 80 HE ARG 10 HE ARG 10 -0.628 -0.621 15.205 81 HH11 ARG 10 1HH1 ARG 10 0.299 2.548 13.999 82 HH12 ARG 10 2HH1 ARG 10 -0.189 3.367 15.444 83 HH21 ARG 10 1HH2 ARG 10 -1.284 0.463 17.058 84 HH22 ARG 10 2HH2 ARG 10 -1.084 2.181 17.179 85 H TRP 11 H TRP 11 2.383 -3.814 10.587 86 HA TRP 11 HA TRP 11 2.709 -3.449 7.810 87 HB2 TRP 11 2HB TRP 11 4.216 -5.149 9.825 88 HB3 TRP 11 1HB TRP 11 4.627 -5.239 8.114 89 HD1 TRP 11 HD1 TRP 11 5.626 -3.399 11.108 90 HE1 TRP 11 HE1 TRP 11 6.910 -1.273 10.485 91 HE3 TRP 11 HE3 TRP 11 4.466 -3.128 6.136 92 HZ2 TRP 11 HZ2 TRP 11 7.390 0.324 8.238 93 HZ3 TRP 11 HZ3 TRP 11 5.375 -1.262 4.824 94 HH2 TRP 11 HH2 TRP 11 6.804 0.430 5.856 95 H GLN 12 H GLN 12 1.701 -6.282 9.626 96 HA GLN 12 HA GLN 12 1.506 -8.211 7.606 97 HB2 GLN 12 2HB GLN 12 1.377 -8.749 10.004 98 HB3 GLN 12 1HB GLN 12 -0.124 -7.845 10.160 99 HG2 GLN 12 2HG GLN 12 -1.247 -9.480 8.680 100 HG3 GLN 12 1HG GLN 12 0.257 -10.398 8.564 101 HE21 GLN 12 1HE2 GLN 12 -2.409 -11.138 9.644 102 HE22 GLN 12 2HE2 GLN 12 -2.116 -11.682 11.259 103 H ARG 13 H ARG 13 -0.860 -5.915 8.905 104 HA ARG 13 HA ARG 13 -3.100 -6.599 7.387 105 HB2 ARG 13 2HB ARG 13 -3.109 -5.120 9.417 106 HB3 ARG 13 1HB ARG 13 -2.353 -3.845 8.471 107 HG2 ARG 13 2HG ARG 13 -4.756 -3.442 8.709 108 HG3 ARG 13 1HG ARG 13 -4.342 -3.728 7.017 109 HD2 ARG 13 2HD ARG 13 -5.174 -6.020 7.159 110 HD3 ARG 13 1HD ARG 13 -5.496 -5.841 8.885 111 HE ARG 13 HE ARG 13 -7.059 -4.798 6.658 112 HH11 ARG 13 1HH1 ARG 13 -6.562 -4.785 10.137 113 HH12 ARG 13 2HH1 ARG 13 -8.148 -4.169 10.481 114 HH21 ARG 13 1HH2 ARG 13 -9.131 -4.025 7.115 115 HH22 ARG 13 2HH2 ARG 13 -9.604 -3.738 8.759 116 H ILE 14 H ILE 14 -0.531 -4.234 6.755 117 HA ILE 14 HA ILE 14 -1.581 -3.109 4.367 118 HB ILE 14 HB ILE 14 1.309 -3.218 5.364 119 HG12 ILE 14 2HG1 ILE 14 -0.738 -0.981 5.695 120 HG13 ILE 14 1HG1 ILE 14 -0.343 -2.154 6.945 121 HG21 ILE 14 1HG2 ILE 14 1.761 -1.276 3.945 122 HG22 ILE 14 2HG2 ILE 14 0.094 -1.272 3.366 123 HG23 ILE 14 3HG2 ILE 14 1.162 -2.610 2.959 124 HD11 ILE 14 1HD1 ILE 14 1.538 -0.153 5.728 125 HD12 ILE 14 2HD1 ILE 14 1.969 -1.360 6.946 126 HD13 ILE 14 3HD1 ILE 14 0.805 -0.094 7.330 127 H ALA 15 H ALA 15 0.643 -5.814 5.016 128 HA ALA 15 HA ALA 15 1.445 -6.346 2.345 129 HB1 ALA 15 1HB ALA 15 2.234 -8.506 3.213 130 HB2 ALA 15 2HB ALA 15 1.328 -8.246 4.707 131 HB3 ALA 15 3HB ALA 15 2.677 -7.187 4.297 132 H LEU 16 H LEU 16 -1.172 -7.656 4.356 133 HA LEU 16 HA LEU 16 -2.097 -9.619 2.497 134 HB2 LEU 16 2HB LEU 16 -3.559 -8.346 4.848 135 HB3 LEU 16 1HB LEU 16 -4.060 -9.805 4.007 136 HG LEU 16 HG LEU 16 -1.553 -9.489 5.704 137 HD11 LEU 16 1HD1 LEU 16 -4.079 -11.071 6.271 138 HD12 LEU 16 2HD1 LEU 16 -3.585 -9.570 7.058 139 HD13 LEU 16 3HD1 LEU 16 -2.626 -11.031 7.277 140 HD21 LEU 16 1HD2 LEU 16 -2.532 -11.960 4.245 141 HD22 LEU 16 2HD2 LEU 16 -1.186 -11.901 5.385 142 HD23 LEU 16 3HD2 LEU 16 -1.088 -11.018 3.865 143 H LEU 17 H LEU 17 -3.146 -6.335 3.354 144 HA LEU 17 HA LEU 17 -5.385 -6.122 1.667 145 HB2 LEU 17 2HB LEU 17 -3.543 -4.010 2.845 146 HB3 LEU 17 1HB LEU 17 -4.900 -3.573 1.821 147 HG LEU 17 HG LEU 17 -5.178 -5.101 4.443 148 HD11 LEU 17 1HD1 LEU 17 -5.694 -2.153 3.917 149 HD12 LEU 17 2HD1 LEU 17 -4.342 -2.817 4.837 150 HD13 LEU 17 3HD1 LEU 17 -5.988 -3.016 5.431 151 HD21 LEU 17 1HD2 LEU 17 -7.302 -3.810 2.691 152 HD22 LEU 17 2HD2 LEU 17 -7.572 -4.628 4.234 153 HD23 LEU 17 3HD2 LEU 17 -7.002 -5.546 2.844 154 H SER 18 H SER 18 -1.975 -5.111 1.131 155 HA SER 18 HA SER 18 -2.334 -4.052 -1.464 156 HB2 SER 18 2HB SER 18 0.152 -4.213 -1.657 157 HB3 SER 18 1HB SER 18 -0.351 -3.499 -0.130 158 HG SER 18 HG SER 18 0.612 -5.046 0.862 159 H GLN 19 H GLN 19 -1.511 -7.315 -0.331 160 HA GLN 19 HA GLN 19 -0.901 -8.518 -2.813 161 HB2 GLN 19 2HB GLN 19 -0.393 -9.559 -0.632 162 HB3 GLN 19 1HB GLN 19 -2.109 -9.753 -0.299 163 HG2 GLN 19 2HG GLN 19 -2.301 -11.331 -2.183 164 HG3 GLN 19 1HG GLN 19 -0.590 -11.115 -2.547 165 HE21 GLN 19 1HE2 GLN 19 -1.929 -11.382 0.738 166 HE22 GLN 19 2HE2 GLN 19 -1.202 -12.906 1.089 167 H SER 20 H SER 20 -3.943 -8.464 -0.953 168 HA SER 20 HA SER 20 -5.660 -9.685 -2.763 169 HB2 SER 20 2HB SER 20 -6.309 -7.431 -0.808 170 HB3 SER 20 1HB SER 20 -7.495 -8.491 -1.574 171 HG SER 20 HG SER 20 -6.341 -10.256 -0.533 172 H LEU 21 H LEU 21 -4.998 -6.227 -2.324 173 HA LEU 21 HA LEU 21 -6.638 -5.167 -4.321 174 HB2 LEU 21 2HB LEU 21 -4.176 -4.017 -2.948 175 HB3 LEU 21 1HB LEU 21 -5.193 -3.079 -4.032 176 HG LEU 21 HG LEU 21 -6.211 -4.362 -1.462 177 HD11 LEU 21 1HD1 LEU 21 -5.396 -1.469 -1.875 178 HD12 LEU 21 2HD1 LEU 21 -4.510 -2.665 -0.928 179 HD13 LEU 21 3HD1 LEU 21 -6.117 -2.157 -0.417 180 HD21 LEU 21 1HD2 LEU 21 -7.971 -3.975 -3.112 181 HD22 LEU 21 2HD2 LEU 21 -7.487 -2.286 -3.269 182 HD23 LEU 21 3HD2 LEU 21 -8.148 -2.879 -1.745 183 H LEU 22 H LEU 22 -3.305 -6.342 -4.428 184 HA LEU 22 HA LEU 22 -2.628 -5.316 -6.981 185 HB2 LEU 22 2HB LEU 22 -0.839 -6.149 -5.555 186 HB3 LEU 22 1HB LEU 22 -1.556 -7.756 -5.510 187 HG LEU 22 HG LEU 22 -1.087 -8.068 -7.916 188 HD11 LEU 22 1HD1 LEU 22 0.151 -5.304 -7.856 189 HD12 LEU 22 2HD1 LEU 22 -1.319 -5.787 -8.709 190 HD13 LEU 22 3HD1 LEU 22 0.236 -6.449 -9.198 191 HD21 LEU 22 1HD2 LEU 22 1.408 -7.168 -6.455 192 HD22 LEU 22 2HD2 LEU 22 1.331 -8.262 -7.837 193 HD23 LEU 22 3HD2 LEU 22 0.639 -8.749 -6.292 194 H GLU 23 H GLU 23 -3.761 -8.540 -5.938 195 HA GLU 23 HA GLU 23 -4.140 -9.688 -8.460 196 HB2 GLU 23 2HB GLU 23 -5.651 -10.199 -5.872 197 HB3 GLU 23 1HB GLU 23 -5.704 -11.256 -7.282 198 HG2 GLU 23 2HG GLU 23 -3.350 -11.770 -7.071 199 HG3 GLU 23 1HG GLU 23 -3.149 -10.567 -5.804 200 H LEU 24 H LEU 24 -6.250 -7.589 -6.564 201 HA LEU 24 HA LEU 24 -8.614 -7.845 -8.102 202 HB2 LEU 24 2HB LEU 24 -7.673 -5.552 -6.328 203 HB3 LEU 24 1HB LEU 24 -9.297 -5.700 -6.985 204 HG LEU 24 HG LEU 24 -8.026 -7.650 -5.034 205 HD11 LEU 24 1HD1 LEU 24 -9.564 -6.741 -3.360 206 HD12 LEU 24 2HD1 LEU 24 -10.111 -5.530 -4.521 207 HD13 LEU 24 3HD1 LEU 24 -8.441 -5.524 -3.957 208 HD21 LEU 24 1HD2 LEU 24 -9.639 -8.776 -6.470 209 HD22 LEU 24 2HD2 LEU 24 -10.866 -7.576 -6.060 210 HD23 LEU 24 3HD2 LEU 24 -10.236 -8.657 -4.816 211 H ALA 25 H ALA 25 -5.911 -5.496 -8.252 212 HA ALA 25 HA ALA 25 -6.991 -3.899 -10.367 213 HB1 ALA 25 1HB ALA 25 -4.098 -4.200 -9.494 214 HB2 ALA 25 2HB ALA 25 -5.263 -3.046 -8.845 215 HB3 ALA 25 3HB ALA 25 -4.746 -2.915 -10.524 216 H GLN 26 H GLN 26 -4.884 -6.718 -10.271 217 HA GLN 26 HA GLN 26 -4.289 -6.912 -13.058 218 HB2 GLN 26 2HB GLN 26 -4.302 -9.034 -10.867 219 HB3 GLN 26 1HB GLN 26 -3.653 -9.285 -12.481 220 HG2 GLN 26 2HG GLN 26 -2.579 -7.239 -10.508 221 HG3 GLN 26 1HG GLN 26 -1.920 -8.858 -10.725 222 HE21 GLN 26 1HE2 GLN 26 -0.528 -6.334 -11.087 223 HE22 GLN 26 2HE2 GLN 26 -0.020 -6.277 -12.736 224 H ARG 27 H ARG 27 -7.025 -7.911 -11.078 225 HA ARG 27 HA ARG 27 -8.279 -9.428 -13.297 226 HB2 ARG 27 2HB ARG 27 -8.895 -9.335 -10.314 227 HB3 ARG 27 1HB ARG 27 -9.849 -10.241 -11.489 228 HG2 ARG 27 2HG ARG 27 -7.980 -11.702 -11.996 229 HG3 ARG 27 1HG ARG 27 -6.886 -10.709 -11.029 230 HD2 ARG 27 2HD ARG 27 -7.506 -12.754 -9.830 231 HD3 ARG 27 1HD ARG 27 -8.109 -11.328 -8.983 232 HE ARG 27 HE ARG 27 -10.319 -11.824 -9.979 233 HH11 ARG 27 1HH1 ARG 27 -8.015 -14.475 -9.754 234 HH12 ARG 27 2HH1 ARG 27 -9.247 -15.696 -9.749 235 HH21 ARG 27 1HH2 ARG 27 -11.918 -13.432 -9.953 236 HH22 ARG 27 2HH2 ARG 27 -11.457 -15.103 -9.860 237 H GLY 28 H GLY 28 -8.216 -6.310 -12.422 238 HA2 GLY 28 2HA GLY 28 -9.463 -4.538 -13.182 239 HA3 GLY 28 1HA GLY 28 -10.517 -5.679 -13.987 240 H GLU 29 H GLU 29 -10.187 -6.089 -10.578 241 HA GLU 29 HA GLU 29 -12.890 -5.228 -9.992 242 HB2 GLU 29 2HB GLU 29 -10.711 -6.127 -8.059 243 HB3 GLU 29 1HB GLU 29 -12.434 -6.055 -7.733 244 HG2 GLU 29 2HG GLU 29 -11.127 -7.922 -9.729 245 HG3 GLU 29 1HG GLU 29 -11.572 -8.359 -8.081 246 H TRP 30 H TRP 30 -12.280 -2.962 -10.769 247 HA TRP 30 HA TRP 30 -10.518 -1.286 -9.274 248 HB2 TRP 30 2HB TRP 30 -12.818 -0.236 -10.973 249 HB3 TRP 30 1HB TRP 30 -11.269 0.536 -10.644 250 HD1 TRP 30 HD1 TRP 30 -13.002 -1.393 -13.260 251 HE1 TRP 30 HE1 TRP 30 -11.360 -2.267 -15.024 252 HE3 TRP 30 HE3 TRP 30 -8.607 -0.510 -10.811 253 HZ2 TRP 30 HZ2 TRP 30 -8.586 -2.557 -15.348 254 HZ3 TRP 30 HZ3 TRP 30 -6.494 -1.113 -11.914 255 HH2 TRP 30 HH2 TRP 30 -6.487 -2.122 -14.145 256 H ASP 31 H ASP 31 -13.899 -2.083 -9.036 257 HA ASP 31 HA ASP 31 -14.824 -0.115 -7.248 258 HB2 ASP 31 2HB ASP 31 -16.354 -1.581 -8.498 259 HB3 ASP 31 1HB ASP 31 -15.736 -3.001 -7.662 260 H LEU 32 H LEU 32 -13.470 -3.366 -6.680 261 HA LEU 32 HA LEU 32 -13.602 -3.254 -3.825 262 HB2 LEU 32 2HB LEU 32 -12.095 -5.100 -5.701 263 HB3 LEU 32 1HB LEU 32 -12.069 -5.286 -3.955 264 HG LEU 32 HG LEU 32 -14.505 -5.571 -5.759 265 HD11 LEU 32 1HD1 LEU 32 -12.967 -7.614 -4.116 266 HD12 LEU 32 2HD1 LEU 32 -13.011 -7.490 -5.878 267 HD13 LEU 32 3HD1 LEU 32 -14.471 -7.930 -4.997 268 HD21 LEU 32 1HD2 LEU 32 -15.184 -4.524 -3.646 269 HD22 LEU 32 2HD2 LEU 32 -14.359 -5.784 -2.727 270 HD23 LEU 32 3HD2 LEU 32 -15.762 -6.187 -3.720 271 H LEU 33 H LEU 33 -11.190 -2.267 -6.189 272 HA LEU 33 HA LEU 33 -9.050 -1.746 -4.415 273 HB2 LEU 33 2HB LEU 33 -9.830 -0.254 -6.954 274 HB3 LEU 33 1HB LEU 33 -8.332 0.010 -6.074 275 HG LEU 33 HG LEU 33 -9.140 -2.545 -7.512 276 HD11 LEU 33 1HD1 LEU 33 -6.929 -0.562 -8.121 277 HD12 LEU 33 2HD1 LEU 33 -8.450 -0.719 -9.003 278 HD13 LEU 33 3HD1 LEU 33 -7.291 -2.043 -9.015 279 HD21 LEU 33 1HD2 LEU 33 -6.919 -3.402 -6.921 280 HD22 LEU 33 2HD2 LEU 33 -7.896 -3.104 -5.488 281 HD23 LEU 33 3HD2 LEU 33 -6.616 -1.971 -5.931 282 H LEU 34 H LEU 34 -11.682 0.359 -5.595 283 HA LEU 34 HA LEU 34 -11.028 2.622 -3.996 284 HB2 LEU 34 2HB LEU 34 -13.655 1.891 -5.354 285 HB3 LEU 34 1HB LEU 34 -13.263 3.479 -4.711 286 HG LEU 34 HG LEU 34 -11.869 2.115 -7.048 287 HD11 LEU 34 1HD1 LEU 34 -14.106 2.887 -7.644 288 HD12 LEU 34 2HD1 LEU 34 -12.876 3.858 -8.447 289 HD13 LEU 34 3HD1 LEU 34 -13.735 4.506 -7.045 290 HD21 LEU 34 1HD2 LEU 34 -10.656 4.243 -7.359 291 HD22 LEU 34 2HD2 LEU 34 -10.257 3.460 -5.833 292 HD23 LEU 34 3HD2 LEU 34 -11.346 4.848 -5.852 293 H GLN 35 H GLN 35 -12.854 -0.249 -3.305 294 HA GLN 35 HA GLN 35 -14.334 0.674 -1.032 295 HB2 GLN 35 2HB GLN 35 -14.969 -1.373 -2.270 296 HB3 GLN 35 1HB GLN 35 -13.445 -2.137 -1.847 297 HG2 GLN 35 2HG GLN 35 -15.238 -3.045 -0.480 298 HG3 GLN 35 1HG GLN 35 -14.119 -2.144 0.537 299 HE21 GLN 35 1HE2 GLN 35 -17.313 -2.140 -0.895 300 HE22 GLN 35 2HE2 GLN 35 -17.989 -0.917 0.121 301 H GLN 36 H GLN 36 -11.376 -1.284 -1.345 302 HA GLN 36 HA GLN 36 -10.818 -1.175 1.518 303 HB2 GLN 36 2HB GLN 36 -9.597 -2.720 -0.795 304 HB3 GLN 36 1HB GLN 36 -8.984 -2.822 0.854 305 HG2 GLN 36 2HG GLN 36 -10.947 -3.889 1.654 306 HG3 GLN 36 1HG GLN 36 -11.895 -3.407 0.250 307 HE21 GLN 36 1HE2 GLN 36 -10.064 -4.213 -1.771 308 HE22 GLN 36 2HE2 GLN 36 -10.054 -5.940 -1.776 309 H GLU 37 H GLU 37 -9.989 0.653 -1.168 310 HA GLU 37 HA GLU 37 -7.385 1.472 -0.993 311 HB2 GLU 37 2HB GLU 37 -8.802 2.272 -2.737 312 HB3 GLU 37 1HB GLU 37 -9.934 2.998 -1.616 313 HG2 GLU 37 2HG GLU 37 -7.229 4.183 -1.445 314 HG3 GLU 37 1HG GLU 37 -7.941 4.333 -3.049 315 H VAL 38 H VAL 38 -10.100 2.974 0.811 316 HA VAL 38 HA VAL 38 -8.645 4.763 2.368 317 HB VAL 38 HB VAL 38 -11.053 4.950 2.211 318 HG11 VAL 38 1HG1 VAL 38 -11.301 2.352 3.760 319 HG12 VAL 38 2HG1 VAL 38 -11.682 2.594 2.055 320 HG13 VAL 38 3HG1 VAL 38 -12.640 3.410 3.291 321 HG21 VAL 38 1HG2 VAL 38 -10.029 5.937 4.221 322 HG22 VAL 38 2HG2 VAL 38 -10.283 4.435 5.112 323 HG23 VAL 38 3HG2 VAL 38 -11.668 5.383 4.566 324 H SER 39 H SER 39 -9.452 1.366 3.037 325 HA SER 39 HA SER 39 -8.522 1.206 5.693 326 HB2 SER 39 2HB SER 39 -8.648 -1.050 3.639 327 HB3 SER 39 1HB SER 39 -8.689 -1.218 5.393 328 HG SER 39 HG SER 39 -10.768 -1.274 4.168 329 H TYR 40 H TYR 40 -6.953 0.654 2.581 330 HA TYR 40 HA TYR 40 -4.514 -0.448 3.534 331 HB2 TYR 40 2HB TYR 40 -5.361 -0.831 1.239 332 HB3 TYR 40 1HB TYR 40 -5.158 0.879 0.866 333 HD1 TYR 40 HD1 TYR 40 -3.262 1.352 -0.457 334 HD2 TYR 40 HD2 TYR 40 -3.038 -1.903 2.299 335 HE1 TYR 40 HE1 TYR 40 -0.986 0.855 -1.220 336 HE2 TYR 40 HE2 TYR 40 -0.769 -2.382 1.528 337 HH TYR 40 HH TYR 40 1.039 -0.252 -0.411 338 H LEU 41 H LEU 41 -5.421 2.826 2.440 339 HA LEU 41 HA LEU 41 -2.818 3.964 2.777 340 HB2 LEU 41 2HB LEU 41 -5.489 5.421 2.631 341 HB3 LEU 41 1HB LEU 41 -3.901 6.120 2.351 342 HG LEU 41 HG LEU 41 -5.369 4.136 0.575 343 HD11 LEU 41 1HD1 LEU 41 -5.303 5.919 -1.108 344 HD12 LEU 41 2HD1 LEU 41 -4.501 6.991 0.042 345 HD13 LEU 41 3HD1 LEU 41 -6.148 6.436 0.351 346 HD21 LEU 41 1HD2 LEU 41 -3.037 3.466 0.549 347 HD22 LEU 41 2HD2 LEU 41 -2.520 5.123 0.242 348 HD23 LEU 41 3HD2 LEU 41 -3.439 4.245 -0.982 349 H GLN 42 H GLN 42 -5.610 3.543 4.833 350 HA GLN 42 HA GLN 42 -4.869 5.286 6.966 351 HB2 GLN 42 2HB GLN 42 -7.185 4.442 6.567 352 HB3 GLN 42 1HB GLN 42 -6.660 2.817 6.990 353 HG2 GLN 42 2HG GLN 42 -6.124 3.621 9.286 354 HG3 GLN 42 1HG GLN 42 -6.726 5.221 8.838 355 HE21 GLN 42 1HE2 GLN 42 -8.372 5.159 10.393 356 HE22 GLN 42 2HE2 GLN 42 -9.756 4.137 10.244 357 H SER 43 H SER 43 -4.425 1.769 6.374 358 HA SER 43 HA SER 43 -3.102 1.200 8.823 359 HB2 SER 43 2HB SER 43 -2.417 -0.950 7.676 360 HB3 SER 43 1HB SER 43 -4.146 -0.616 7.633 361 HG SER 43 HG SER 43 -2.352 -0.032 5.507 362 H ILE 44 H ILE 44 -1.922 2.074 5.603 363 HA ILE 44 HA ILE 44 0.855 2.049 5.968 364 HB ILE 44 HB ILE 44 -1.027 3.691 4.237 365 HG12 ILE 44 2HG1 ILE 44 1.135 1.650 3.536 366 HG13 ILE 44 1HG1 ILE 44 -0.594 1.333 3.604 367 HG21 ILE 44 1HG2 ILE 44 1.975 4.109 4.248 368 HG22 ILE 44 2HG2 ILE 44 0.750 5.293 4.699 369 HG23 ILE 44 3HG2 ILE 44 0.866 4.737 3.029 370 HD11 ILE 44 1HD1 ILE 44 0.814 3.140 1.639 371 HD12 ILE 44 2HD1 ILE 44 -0.933 2.886 1.723 372 HD13 ILE 44 3HD1 ILE 44 0.136 1.542 1.325 373 H GLU 45 H GLU 45 -1.479 4.664 6.530 374 HA GLU 45 HA GLU 45 0.233 6.698 7.369 375 HB2 GLU 45 2HB GLU 45 -2.131 7.015 6.726 376 HB3 GLU 45 1HB GLU 45 -2.659 6.148 8.164 377 HG2 GLU 45 2HG GLU 45 -1.608 7.958 9.560 378 HG3 GLU 45 1HG GLU 45 -1.254 8.838 8.072 379 H THR 46 H THR 46 -1.463 4.204 9.255 380 HA THR 46 HA THR 46 -0.630 5.289 11.793 381 HB THR 46 HB THR 46 -2.868 4.194 11.447 382 HG1 THR 46 HG1 THR 46 -1.700 4.417 13.550 383 HG21 THR 46 1HG2 THR 46 -1.277 1.605 11.512 384 HG22 THR 46 2HG2 THR 46 -2.181 2.224 10.130 385 HG23 THR 46 3HG2 THR 46 -3.034 1.737 11.596 386 H VAL 47 H VAL 47 0.622 2.748 9.630 387 HA VAL 47 HA VAL 47 2.309 1.576 11.667 388 HB VAL 47 HB VAL 47 1.572 0.449 9.402 389 HG11 VAL 47 1HG1 VAL 47 4.120 1.801 8.427 390 HG12 VAL 47 2HG1 VAL 47 2.489 2.116 7.840 391 HG13 VAL 47 3HG1 VAL 47 3.228 0.539 7.572 392 HG21 VAL 47 1HG2 VAL 47 2.960 -0.631 11.118 393 HG22 VAL 47 2HG2 VAL 47 4.408 0.110 10.431 394 HG23 VAL 47 3HG2 VAL 47 3.493 -1.074 9.495 395 H MET 48 H MET 48 2.648 4.071 9.204 396 HA MET 48 HA MET 48 5.452 4.540 9.646 397 HB2 MET 48 2HB MET 48 4.254 5.016 7.502 398 HB3 MET 48 1HB MET 48 3.378 6.320 8.286 399 HG2 MET 48 2HG MET 48 5.310 7.669 8.431 400 HG3 MET 48 1HG MET 48 6.396 6.299 8.182 401 HE1 MET 48 1HE MET 48 5.181 4.734 5.688 402 HE2 MET 48 2HE MET 48 6.886 5.156 5.876 403 HE3 MET 48 3HE MET 48 6.040 5.541 4.375 404 H GLU 49 H GLU 49 2.437 5.736 10.950 405 HA GLU 49 HA GLU 49 3.358 7.818 12.637 406 HB2 GLU 49 2HB GLU 49 0.990 7.544 12.209 407 HB3 GLU 49 1HB GLU 49 1.024 5.880 12.769 408 HG2 GLU 49 2HG GLU 49 1.644 6.905 15.093 409 HG3 GLU 49 1HG GLU 49 1.054 8.418 14.408 410 H LYS 50 H LYS 50 3.282 4.291 12.999 411 HA LYS 50 HA LYS 50 4.517 4.468 15.695 412 HB2 LYS 50 2HB LYS 50 2.132 3.375 15.352 413 HB3 LYS 50 1HB LYS 50 3.012 2.022 14.669 414 HG2 LYS 50 2HG LYS 50 3.457 3.086 17.483 415 HG3 LYS 50 1HG LYS 50 2.347 1.775 17.090 416 HD2 LYS 50 2HD LYS 50 4.238 0.415 16.256 417 HD3 LYS 50 1HD LYS 50 5.352 1.736 16.614 418 HE2 LYS 50 2HE LYS 50 3.689 0.225 18.650 419 HE3 LYS 50 1HE LYS 50 5.413 0.007 18.354 420 HZ1 LYS 50 1HZ LYS 50 5.042 1.391 20.271 421 HZ2 LYS 50 2HZ LYS 50 4.118 2.480 19.372 422 HZ3 LYS 50 3HZ LYS 50 5.767 2.308 19.051 423 H GLN 51 H GLN 51 6.433 4.836 14.325 424 HA GLN 51 HA GLN 51 7.612 2.496 13.010 425 HB2 GLN 51 2HB GLN 51 9.341 3.967 12.196 426 HB3 GLN 51 1HB GLN 51 7.824 4.824 11.995 427 HG2 GLN 51 2HG GLN 51 9.839 5.326 14.211 428 HG3 GLN 51 1HG GLN 51 9.668 6.295 12.754 429 HE21 GLN 51 1HE2 GLN 51 9.341 6.866 15.706 430 HE22 GLN 51 2HE2 GLN 51 7.816 7.674 15.818 431 H THR 52 H THR 52 9.008 1.143 14.067 432 HA THR 52 HA THR 52 9.960 1.815 16.760 433 HB THR 52 HB THR 52 10.872 -0.530 16.769 434 HG1 THR 52 HG1 THR 52 11.150 -0.705 14.469 435 HG21 THR 52 1HG2 THR 52 8.717 -1.717 16.843 436 HG22 THR 52 2HG2 THR 52 7.933 -0.387 15.990 437 HG23 THR 52 3HG2 THR 52 8.580 -0.136 17.614 438 HA PRO 53 HA PRO 53 14.110 3.134 15.346 439 HB2 PRO 53 2HB PRO 53 14.952 1.850 17.956 440 HB3 PRO 53 1HB PRO 53 15.322 3.473 17.330 441 HG2 PRO 53 2HG PRO 53 13.540 3.204 19.256 442 HG3 PRO 53 1HG PRO 53 13.210 4.324 17.910 443 HD2 PRO 53 2HD PRO 53 12.129 1.541 18.361 444 HD3 PRO 53 1HD PRO 53 11.280 3.006 17.813 445 HA PRO 54 HA PRO 54 16.415 -0.249 13.430 446 HB2 PRO 54 2HB PRO 54 18.782 0.742 15.046 447 HB3 PRO 54 1HB PRO 54 18.699 0.302 13.322 448 HG2 PRO 54 2HG PRO 54 18.665 2.847 14.002 449 HG3 PRO 54 1HG PRO 54 17.556 2.261 12.736 450 HD2 PRO 54 2HD PRO 54 16.955 2.977 15.592 451 HD3 PRO 54 1HD PRO 54 15.964 3.214 14.134 452 H GLY 55 H GLY 55 17.305 0.121 16.907 453 HA2 GLY 55 2HA GLY 55 18.147 -2.540 17.368 454 HA3 GLY 55 1HA GLY 55 17.623 -1.402 18.594 455 H ILE 56 H ILE 56 16.554 -3.843 16.320 456 HA ILE 56 HA ILE 56 14.046 -4.291 17.823 457 HB ILE 56 HB ILE 56 13.586 -3.024 15.712 458 HG12 ILE 56 2HG1 ILE 56 11.851 -4.600 14.728 459 HG13 ILE 56 1HG1 ILE 56 12.509 -5.881 15.738 460 HG21 ILE 56 1HG2 ILE 56 13.917 -4.037 13.492 461 HG22 ILE 56 2HG2 ILE 56 14.731 -5.415 14.237 462 HG23 ILE 56 3HG2 ILE 56 15.451 -3.810 14.336 463 HD11 ILE 56 1HD1 ILE 56 10.482 -4.899 16.674 464 HD12 ILE 56 2HD1 ILE 56 11.264 -3.320 16.749 465 HD13 ILE 56 3HD1 ILE 56 11.864 -4.652 17.744 466 H THR 57 H THR 57 13.323 -6.488 17.788 467 HA THR 57 HA THR 57 15.441 -8.417 17.987 468 HB THR 57 HB THR 57 13.501 -9.961 18.645 469 HG1 THR 57 HG1 THR 57 11.479 -9.018 18.804 470 HG21 THR 57 1HG2 THR 57 13.648 -7.295 20.115 471 HG22 THR 57 2HG2 THR 57 14.703 -8.683 20.392 472 HG23 THR 57 3HG2 THR 57 12.984 -8.796 20.768 473 H ARG 58 H ARG 58 15.328 -10.572 17.021 474 HA ARG 58 HA ARG 58 15.564 -10.494 14.250 475 HB2 ARG 58 2HB ARG 58 15.751 -12.611 16.346 476 HB3 ARG 58 1HB ARG 58 15.341 -13.235 14.755 477 HG2 ARG 58 2HG ARG 58 17.766 -11.508 15.359 478 HG3 ARG 58 1HG ARG 58 17.777 -13.267 15.215 479 HD2 ARG 58 2HD ARG 58 17.051 -11.300 13.013 480 HD3 ARG 58 1HD ARG 58 18.549 -12.224 13.136 481 HE ARG 58 HE ARG 58 16.960 -14.250 13.032 482 HH11 ARG 58 1HH1 ARG 58 16.406 -11.266 11.242 483 HH12 ARG 58 2HH1 ARG 58 15.529 -12.057 9.973 484 HH21 ARG 58 1HH2 ARG 58 15.827 -15.259 11.328 485 HH22 ARG 58 2HH2 ARG 58 15.203 -14.300 10.022 486 H SER 59 H SER 59 12.935 -11.989 16.162 487 HA SER 59 HA SER 59 11.610 -13.166 13.973 488 HB2 SER 59 2HB SER 59 10.391 -12.406 16.659 489 HB3 SER 59 1HB SER 59 9.791 -13.627 15.535 490 HG SER 59 HG SER 59 11.077 -14.453 17.316 491 H ILE 60 H ILE 60 10.957 -10.127 15.741 492 HA ILE 60 HA ILE 60 8.693 -9.273 14.303 493 HB ILE 60 HB ILE 60 10.805 -7.485 15.608 494 HG12 ILE 60 2HG1 ILE 60 8.196 -8.561 16.774 495 HG13 ILE 60 1HG1 ILE 60 9.810 -9.107 17.215 496 HG21 ILE 60 1HG2 ILE 60 7.931 -6.829 14.824 497 HG22 ILE 60 2HG2 ILE 60 9.382 -6.216 14.032 498 HG23 ILE 60 3HG2 ILE 60 9.025 -5.752 15.694 499 HD11 ILE 60 1HD1 ILE 60 8.918 -7.620 18.885 500 HD12 ILE 60 2HD1 ILE 60 8.672 -6.354 17.682 501 HD13 ILE 60 3HD1 ILE 60 10.309 -6.875 18.099 502 H GLN 61 H GLN 61 12.137 -8.368 13.913 503 HA GLN 61 HA GLN 61 11.863 -6.635 11.738 504 HB2 GLN 61 2HB GLN 61 13.862 -6.884 13.264 505 HB3 GLN 61 1HB GLN 61 14.300 -8.350 12.411 506 HG2 GLN 61 2HG GLN 61 14.075 -5.703 10.945 507 HG3 GLN 61 1HG GLN 61 15.530 -6.117 11.840 508 HE21 GLN 61 1HE2 GLN 61 13.695 -6.728 8.959 509 HE22 GLN 61 2HE2 GLN 61 14.867 -7.731 8.187 510 H ASP 62 H ASP 62 12.357 -10.144 11.827 511 HA ASP 62 HA ASP 62 12.946 -10.541 9.072 512 HB2 ASP 62 2HB ASP 62 13.504 -12.167 10.923 513 HB3 ASP 62 1HB ASP 62 11.795 -12.573 11.055 514 H MET 63 H MET 63 9.956 -11.124 10.971 515 HA MET 63 HA MET 63 8.320 -11.915 8.802 516 HB2 MET 63 2HB MET 63 7.554 -10.784 11.520 517 HB3 MET 63 1HB MET 63 6.385 -11.415 10.368 518 HG2 MET 63 2HG MET 63 7.477 -13.630 10.493 519 HG3 MET 63 1HG MET 63 8.609 -12.989 11.685 520 HE1 MET 63 1HE MET 63 6.209 -12.168 14.703 521 HE2 MET 63 2HE MET 63 6.698 -11.051 13.431 522 HE3 MET 63 3HE MET 63 7.878 -12.155 14.139 523 H VAL 64 H VAL 64 8.766 -8.782 10.406 524 HA VAL 64 HA VAL 64 6.934 -7.263 8.899 525 HB VAL 64 HB VAL 64 9.379 -6.492 10.544 526 HG11 VAL 64 1HG1 VAL 64 9.264 -4.794 8.789 527 HG12 VAL 64 2HG1 VAL 64 8.736 -4.106 10.323 528 HG13 VAL 64 3HG1 VAL 64 7.544 -4.546 9.099 529 HG21 VAL 64 1HG2 VAL 64 7.366 -7.253 11.772 530 HG22 VAL 64 2HG2 VAL 64 6.401 -6.002 10.983 531 HG23 VAL 64 3HG2 VAL 64 7.700 -5.550 12.089 532 H ALA 65 H ALA 65 10.369 -8.025 8.354 533 HA ALA 65 HA ALA 65 10.758 -6.403 6.054 534 HB1 ALA 65 1HB ALA 65 12.180 -8.983 6.812 535 HB2 ALA 65 2HB ALA 65 12.644 -7.356 7.311 536 HB3 ALA 65 3HB ALA 65 12.731 -7.807 5.610 537 H GLY 66 H GLY 66 9.539 -9.696 6.525 538 HA2 GLY 66 2HA GLY 66 9.192 -10.483 3.832 539 HA3 GLY 66 1HA GLY 66 8.250 -11.067 5.205 540 H TYR 67 H TYR 67 7.002 -8.823 6.104 541 HA TYR 67 HA TYR 67 4.795 -8.508 4.371 542 HB2 TYR 67 2HB TYR 67 5.577 -6.761 6.741 543 HB3 TYR 67 1HB TYR 67 3.983 -6.827 5.997 544 HD1 TYR 67 HD1 TYR 67 5.018 -7.422 8.982 545 HD2 TYR 67 HD2 TYR 67 3.768 -9.889 5.713 546 HE1 TYR 67 HE1 TYR 67 4.345 -9.174 10.560 547 HE2 TYR 67 HE2 TYR 67 3.095 -11.636 7.309 548 HH TYR 67 HH TYR 67 3.682 -12.338 9.623 549 H ILE 68 H ILE 68 7.676 -6.616 4.912 550 HA ILE 68 HA ILE 68 6.945 -4.213 3.570 551 HB ILE 68 HB ILE 68 9.555 -5.398 4.586 552 HG12 ILE 68 2HG1 ILE 68 8.038 -2.833 5.260 553 HG13 ILE 68 1HG1 ILE 68 8.021 -4.315 6.206 554 HG21 ILE 68 1HG2 ILE 68 9.428 -2.841 2.956 555 HG22 ILE 68 2HG2 ILE 68 10.260 -4.329 2.505 556 HG23 ILE 68 3HG2 ILE 68 10.823 -3.390 3.887 557 HD11 ILE 68 1HD1 ILE 68 9.415 -2.674 7.255 558 HD12 ILE 68 2HD1 ILE 68 10.375 -2.476 5.788 559 HD13 ILE 68 3HD1 ILE 68 10.423 -4.002 6.679 560 H LYS 69 H LYS 69 8.856 -7.080 2.586 561 HA LYS 69 HA LYS 69 9.427 -6.296 -0.058 562 HB2 LYS 69 2HB LYS 69 9.141 -9.054 1.205 563 HB3 LYS 69 1HB LYS 69 9.672 -8.825 -0.457 564 HG2 LYS 69 2HG LYS 69 11.098 -7.653 1.950 565 HG3 LYS 69 1HG LYS 69 11.528 -9.190 1.204 566 HD2 LYS 69 2HD LYS 69 11.551 -6.511 -0.248 567 HD3 LYS 69 1HD LYS 69 12.973 -7.272 0.472 568 HE2 LYS 69 2HE LYS 69 12.768 -9.179 -1.039 569 HE3 LYS 69 1HE LYS 69 11.269 -8.528 -1.707 570 HZ1 LYS 69 1HZ LYS 69 13.913 -7.195 -1.877 571 HZ2 LYS 69 2HZ LYS 69 12.476 -6.671 -2.595 572 HZ3 LYS 69 3HZ LYS 69 13.211 -8.105 -3.118 573 H GLN 70 H GLN 70 6.760 -8.207 1.302 574 HA GLN 70 HA GLN 70 5.328 -8.825 -1.004 575 HB2 GLN 70 2HB GLN 70 4.320 -8.312 1.827 576 HB3 GLN 70 1HB GLN 70 3.298 -8.942 0.544 577 HG2 GLN 70 2HG GLN 70 5.809 -10.344 1.492 578 HG3 GLN 70 1HG GLN 70 4.215 -10.637 2.183 579 HE21 GLN 70 1HE2 GLN 70 4.320 -12.827 1.554 580 HE22 GLN 70 2HE2 GLN 70 4.107 -13.319 -0.088 581 H THR 71 H THR 71 4.810 -6.080 1.256 582 HA THR 71 HA THR 71 2.607 -5.113 -0.241 583 HB THR 71 HB THR 71 2.785 -4.737 2.213 584 HG1 THR 71 HG1 THR 71 2.484 -2.411 0.572 585 HG21 THR 71 1HG2 THR 71 4.054 -2.812 3.085 586 HG22 THR 71 2HG2 THR 71 4.782 -2.555 1.498 587 HG23 THR 71 3HG2 THR 71 5.155 -4.019 2.409 588 H LEU 72 H LEU 72 6.020 -4.113 -0.085 589 HA LEU 72 HA LEU 72 5.725 -1.778 -1.662 590 HB2 LEU 72 2HB LEU 72 8.128 -3.492 -0.968 591 HB3 LEU 72 1HB LEU 72 8.284 -2.148 -2.089 592 HG LEU 72 HG LEU 72 7.343 -1.910 0.799 593 HD11 LEU 72 1HD1 LEU 72 9.477 -0.771 1.219 594 HD12 LEU 72 2HD1 LEU 72 9.995 -1.091 -0.439 595 HD13 LEU 72 3HD1 LEU 72 9.730 -2.430 0.680 596 HD21 LEU 72 1HD2 LEU 72 7.833 0.253 -1.284 597 HD22 LEU 72 2HD2 LEU 72 7.494 0.535 0.425 598 HD23 LEU 72 3HD2 LEU 72 6.275 -0.219 -0.596 599 H ASP 73 H ASP 73 6.462 -5.174 -2.558 600 HA ASP 73 HA ASP 73 6.884 -4.525 -5.338 601 HB2 ASP 73 2HB ASP 73 7.887 -6.543 -4.300 602 HB3 ASP 73 1HB ASP 73 6.284 -7.245 -4.097 603 H ASN 74 H ASN 74 4.126 -5.768 -3.489 604 HA ASN 74 HA ASN 74 2.232 -6.143 -5.523 605 HB2 ASN 74 2HB ASN 74 1.851 -5.297 -2.621 606 HB3 ASN 74 1HB ASN 74 0.506 -5.691 -3.684 607 HD21 ASN 74 1HD2 ASN 74 1.331 -6.940 -1.166 608 HD22 ASN 74 2HD2 ASN 74 1.590 -8.610 -1.531 609 H GLU 75 H GLU 75 2.964 -3.324 -3.530 610 HA GLU 75 HA GLU 75 1.064 -1.526 -4.627 611 HB2 GLU 75 2HB GLU 75 1.963 -1.225 -2.378 612 HB3 GLU 75 1HB GLU 75 3.601 -1.067 -3.002 613 HG2 GLU 75 2HG GLU 75 2.937 1.026 -4.149 614 HG3 GLU 75 1HG GLU 75 1.320 0.874 -3.466 615 H GLN 76 H GLN 76 4.405 -2.317 -5.394 616 HA GLN 76 HA GLN 76 5.041 -0.167 -7.121 617 HB2 GLN 76 2HB GLN 76 6.764 -1.673 -6.235 618 HB3 GLN 76 1HB GLN 76 6.047 -3.049 -7.063 619 HG2 GLN 76 2HG GLN 76 6.596 -1.963 -9.245 620 HG3 GLN 76 1HG GLN 76 7.405 -0.672 -8.361 621 HE21 GLN 76 1HE2 GLN 76 7.528 -4.113 -7.480 622 HE22 GLN 76 2HE2 GLN 76 9.206 -4.313 -7.835 623 H LEU 77 H LEU 77 3.764 -3.433 -7.766 624 HA LEU 77 HA LEU 77 3.353 -3.095 -10.562 625 HB2 LEU 77 2HB LEU 77 2.124 -5.028 -8.576 626 HB3 LEU 77 1HB LEU 77 1.856 -5.124 -10.308 627 HG LEU 77 HG LEU 77 4.569 -5.430 -8.954 628 HD11 LEU 77 1HD1 LEU 77 2.734 -7.553 -10.120 629 HD12 LEU 77 2HD1 LEU 77 3.109 -7.314 -8.411 630 HD13 LEU 77 3HD1 LEU 77 4.374 -7.822 -9.523 631 HD21 LEU 77 1HD2 LEU 77 4.777 -4.529 -11.219 632 HD22 LEU 77 2HD2 LEU 77 3.760 -5.824 -11.855 633 HD23 LEU 77 3HD2 LEU 77 5.345 -6.197 -11.167 634 H LEU 78 H LEU 78 1.214 -2.669 -7.741 635 HA LEU 78 HA LEU 78 -1.171 -1.878 -8.981 636 HB2 LEU 78 2HB LEU 78 0.098 -1.184 -6.318 637 HB3 LEU 78 1HB LEU 78 -1.381 -0.371 -6.785 638 HG LEU 78 HG LEU 78 -1.152 -3.399 -6.593 639 HD11 LEU 78 1HD1 LEU 78 -0.749 -2.410 -4.368 640 HD12 LEU 78 2HD1 LEU 78 -2.285 -3.270 -4.429 641 HD13 LEU 78 3HD1 LEU 78 -2.262 -1.504 -4.487 642 HD21 LEU 78 1HD2 LEU 78 -2.935 -2.608 -8.062 643 HD22 LEU 78 2HD2 LEU 78 -3.558 -1.550 -6.794 644 HD23 LEU 78 3HD2 LEU 78 -3.616 -3.304 -6.596 645 H LYS 79 H LYS 79 1.710 -0.013 -8.189 646 HA LYS 79 HA LYS 79 0.649 2.587 -8.599 647 HB2 LYS 79 2HB LYS 79 2.774 1.799 -7.265 648 HB3 LYS 79 1HB LYS 79 3.612 1.864 -8.804 649 HG2 LYS 79 2HG LYS 79 2.181 4.262 -7.605 650 HG3 LYS 79 1HG LYS 79 3.860 3.867 -7.247 651 HD2 LYS 79 2HD LYS 79 4.281 3.982 -9.782 652 HD3 LYS 79 1HD LYS 79 2.671 4.702 -9.914 653 HE2 LYS 79 2HE LYS 79 4.415 6.439 -9.822 654 HE3 LYS 79 1HE LYS 79 3.366 6.528 -8.407 655 HZ1 LYS 79 1HZ LYS 79 5.681 6.755 -7.791 656 HZ2 LYS 79 2HZ LYS 79 6.051 5.264 -8.493 657 HZ3 LYS 79 3HZ LYS 79 5.045 5.333 -7.136 658 H GLY 80 H GLY 80 2.806 0.495 -10.560 659 HA2 GLY 80 2HA GLY 80 2.983 2.153 -12.842 660 HA3 GLY 80 1HA GLY 80 3.330 0.432 -12.791 661 H LEU 81 H LEU 81 0.825 -0.595 -12.124 662 HA LEU 81 HA LEU 81 -0.425 -0.805 -14.645 663 HB2 LEU 81 2HB LEU 81 -0.428 -2.581 -12.945 664 HB3 LEU 81 1HB LEU 81 -1.418 -1.615 -11.876 665 HG LEU 81 HG LEU 81 -2.534 -2.412 -14.593 666 HD11 LEU 81 1HD1 LEU 81 -3.426 -4.509 -13.669 667 HD12 LEU 81 2HD1 LEU 81 -2.536 -4.244 -12.167 668 HD13 LEU 81 3HD1 LEU 81 -1.663 -4.513 -13.677 669 HD21 LEU 81 1HD2 LEU 81 -4.695 -2.402 -13.399 670 HD22 LEU 81 2HD2 LEU 81 -3.867 -0.856 -13.235 671 HD23 LEU 81 3HD2 LEU 81 -3.869 -1.997 -11.889 672 H LEU 82 H LEU 82 -1.570 0.709 -11.634 673 HA LEU 82 HA LEU 82 -3.939 1.835 -12.720 674 HB2 LEU 82 2HB LEU 82 -2.411 2.274 -10.143 675 HB3 LEU 82 1HB LEU 82 -3.881 3.167 -10.495 676 HG LEU 82 HG LEU 82 -3.894 0.126 -10.557 677 HD11 LEU 82 1HD1 LEU 82 -4.363 1.816 -8.079 678 HD12 LEU 82 2HD1 LEU 82 -2.996 0.733 -8.356 679 HD13 LEU 82 3HD1 LEU 82 -4.625 0.072 -8.222 680 HD21 LEU 82 1HD2 LEU 82 -6.273 0.434 -10.060 681 HD22 LEU 82 2HD2 LEU 82 -5.810 1.281 -11.534 682 HD23 LEU 82 3HD2 LEU 82 -6.052 2.188 -10.036 683 H GLN 83 H GLN 83 -0.640 3.002 -12.512 684 HA GLN 83 HA GLN 83 -1.163 5.739 -13.067 685 HB2 GLN 83 2HB GLN 83 1.021 5.030 -12.205 686 HB3 GLN 83 1HB GLN 83 1.312 4.051 -13.640 687 HG2 GLN 83 2HG GLN 83 2.573 6.182 -13.672 688 HG3 GLN 83 1HG GLN 83 1.457 6.036 -15.031 689 HE21 GLN 83 1HE2 GLN 83 1.107 8.139 -15.425 690 HE22 GLN 83 2HE2 GLN 83 0.393 9.259 -14.315 691 H GLN 84 H GLN 84 -0.115 3.081 -15.217 692 HA GLN 84 HA GLN 84 -0.503 4.412 -17.676 693 HB2 GLN 84 2HB GLN 84 -0.531 1.425 -17.084 694 HB3 GLN 84 1HB GLN 84 -0.430 2.126 -18.697 695 HG2 GLN 84 2HG GLN 84 1.731 3.200 -18.062 696 HG3 GLN 84 1HG GLN 84 1.632 2.418 -16.489 697 HE21 GLN 84 1HE2 GLN 84 0.778 0.914 -19.606 698 HE22 GLN 84 2HE2 GLN 84 2.057 -0.247 -19.578 699 H ARG 85 H ARG 85 -2.756 2.873 -15.532 700 HA ARG 85 HA ARG 85 -4.830 2.341 -17.458 701 HB2 ARG 85 2HB ARG 85 -4.401 1.132 -15.203 702 HB3 ARG 85 1HB ARG 85 -5.170 2.502 -14.422 703 HG2 ARG 85 2HG ARG 85 -6.606 0.966 -16.596 704 HG3 ARG 85 1HG ARG 85 -6.560 0.341 -14.951 705 HD2 ARG 85 2HD ARG 85 -7.708 2.312 -14.114 706 HD3 ARG 85 1HD ARG 85 -7.627 3.081 -15.704 707 HE ARG 85 HE ARG 85 -8.976 0.936 -16.369 708 HH11 ARG 85 1HH1 ARG 85 -9.460 2.887 -13.480 709 HH12 ARG 85 2HH1 ARG 85 -11.150 2.514 -13.376 710 HH21 ARG 85 1HH2 ARG 85 -11.179 0.478 -16.227 711 HH22 ARG 85 2HH2 ARG 85 -12.122 1.147 -14.931 712 H LEU 86 H LEU 86 -4.353 4.750 -14.849 713 HA LEU 86 HA LEU 86 -6.574 6.411 -15.491 714 HB2 LEU 86 2HB LEU 86 -4.005 7.029 -13.980 715 HB3 LEU 86 1HB LEU 86 -5.353 8.147 -14.097 716 HG LEU 86 HG LEU 86 -5.502 5.399 -12.789 717 HD11 LEU 86 1HD1 LEU 86 -5.353 8.114 -11.433 718 HD12 LEU 86 2HD1 LEU 86 -4.048 6.926 -11.520 719 HD13 LEU 86 3HD1 LEU 86 -5.523 6.542 -10.644 720 HD21 LEU 86 1HD2 LEU 86 -7.680 6.170 -11.901 721 HD22 LEU 86 2HD2 LEU 86 -7.672 6.060 -13.656 722 HD23 LEU 86 3HD2 LEU 86 -7.555 7.638 -12.874 723 H ASP 87 H ASP 87 -3.302 6.216 -16.704 724 HA ASP 87 HA ASP 87 -3.079 8.622 -18.148 725 HB2 ASP 87 2HB ASP 87 -1.148 7.152 -17.781 726 HB3 ASP 87 1HB ASP 87 -1.911 5.844 -18.673 727 H GLU 88 H GLU 88 -4.075 5.367 -19.257 728 HA GLU 88 HA GLU 88 -4.931 5.944 -21.833 729 HB2 GLU 88 2HB GLU 88 -6.021 3.876 -19.883 730 HB3 GLU 88 1HB GLU 88 -6.398 3.906 -21.603 731 HG2 GLU 88 2HG GLU 88 -4.046 3.513 -22.152 732 HG3 GLU 88 1HG GLU 88 -3.626 3.548 -20.443 733 H LEU 89 H LEU 89 -6.808 5.911 -18.812 734 HA LEU 89 HA LEU 89 -9.317 6.632 -19.777 735 HB2 LEU 89 2HB LEU 89 -8.044 7.234 -17.080 736 HB3 LEU 89 1HB LEU 89 -9.747 7.487 -17.433 737 HG LEU 89 HG LEU 89 -8.345 4.785 -17.514 738 HD11 LEU 89 1HD1 LEU 89 -9.602 4.289 -15.446 739 HD12 LEU 89 2HD1 LEU 89 -10.163 5.963 -15.397 740 HD13 LEU 89 3HD1 LEU 89 -8.443 5.600 -15.241 741 HD21 LEU 89 1HD2 LEU 89 -10.230 4.875 -19.073 742 HD22 LEU 89 2HD2 LEU 89 -11.295 5.456 -17.791 743 HD23 LEU 89 3HD2 LEU 89 -10.608 3.831 -17.703 744 H SER 90 H SER 90 -6.628 8.758 -18.729 745 HA SER 90 HA SER 90 -7.951 11.239 -19.030 746 HB2 SER 90 2HB SER 90 -4.985 10.565 -19.245 747 HB3 SER 90 1HB SER 90 -5.628 12.209 -19.159 748 HG SER 90 HG SER 90 -5.320 10.329 -17.177 749 H SER 91 H SER 91 -6.126 9.247 -21.331 750 HA SER 91 HA SER 91 -6.227 10.976 -23.573 751 HB2 SER 91 2HB SER 91 -4.703 9.024 -23.438 752 HB3 SER 91 1HB SER 91 -6.080 7.931 -23.537 753 HG SER 91 HG SER 91 -5.132 9.740 -25.501 754 H LEU 92 H LEU 92 -8.510 8.548 -22.337 755 HA LEU 92 HA LEU 92 -10.261 8.494 -24.602 756 HB2 LEU 92 2HB LEU 92 -10.961 7.744 -21.727 757 HB3 LEU 92 1HB LEU 92 -11.817 7.247 -23.177 758 HG LEU 92 HG LEU 92 -9.081 6.335 -22.260 759 HD11 LEU 92 1HD1 LEU 92 -10.092 4.097 -22.136 760 HD12 LEU 92 2HD1 LEU 92 -11.658 4.792 -22.567 761 HD13 LEU 92 3HD1 LEU 92 -10.869 5.258 -21.059 762 HD21 LEU 92 1HD2 LEU 92 -8.954 4.880 -24.224 763 HD22 LEU 92 2HD2 LEU 92 -8.974 6.582 -24.675 764 HD23 LEU 92 3HD2 LEU 92 -10.431 5.604 -24.869 765 H ILE 93 H ILE 93 -10.442 10.049 -21.428 766 HA ILE 93 HA ILE 93 -12.974 11.281 -21.645 767 HB ILE 93 HB ILE 93 -10.577 11.986 -19.876 768 HG12 ILE 93 2HG1 ILE 93 -13.062 10.395 -19.082 769 HG13 ILE 93 1HG1 ILE 93 -11.585 9.632 -19.657 770 HG21 ILE 93 1HG2 ILE 93 -12.110 13.910 -19.983 771 HG22 ILE 93 2HG2 ILE 93 -12.171 13.164 -18.387 772 HG23 ILE 93 3HG2 ILE 93 -13.472 12.875 -19.542 773 HD11 ILE 93 1HD1 ILE 93 -11.848 11.323 -17.175 774 HD12 ILE 93 2HD1 ILE 93 -10.354 10.592 -17.767 775 HD13 ILE 93 3HD1 ILE 93 -11.695 9.570 -17.252 776 H GLY 94 H GLY 94 -9.670 12.510 -22.144 777 HA2 GLY 94 2HA GLY 94 -10.005 14.162 -24.262 778 HA3 GLY 94 1HA GLY 94 -10.560 15.160 -22.920 779 H GLN 95 H GLN 95 -7.843 13.840 -24.533 780 HA GLN 95 HA GLN 95 -5.920 14.355 -22.452 781 HB2 GLN 95 2HB GLN 95 -4.229 13.777 -24.258 782 HB3 GLN 95 1HB GLN 95 -5.403 12.524 -23.878 783 HG2 GLN 95 2HG GLN 95 -6.682 13.044 -25.900 784 HG3 GLN 95 1HG GLN 95 -5.595 14.383 -26.268 785 HE21 GLN 95 1HE2 GLN 95 -5.094 13.488 -28.286 786 HE22 GLN 95 2HE2 GLN 95 -4.089 12.095 -28.461 787 H VAL 96 H VAL 96 -6.748 16.635 -22.191 788 HA VAL 96 HA VAL 96 -5.599 18.710 -23.786 789 HB VAL 96 HB VAL 96 -7.306 19.273 -22.123 790 HG11 VAL 96 1HG1 VAL 96 -6.934 19.155 -19.690 791 HG12 VAL 96 2HG1 VAL 96 -5.365 18.391 -19.961 792 HG13 VAL 96 3HG1 VAL 96 -6.844 17.556 -20.435 793 HG21 VAL 96 1HG2 VAL 96 -6.239 21.211 -21.008 794 HG22 VAL 96 2HG2 VAL 96 -5.701 21.052 -22.679 795 HG23 VAL 96 3HG2 VAL 96 -4.643 20.540 -21.362 796 H LEU 97 H LEU 97 -4.508 16.786 -21.057 797 HA LEU 97 HA LEU 97 -1.730 16.982 -22.006 798 HB2 LEU 97 2HB LEU 97 -2.708 16.798 -19.119 799 HB3 LEU 97 1HB LEU 97 -1.042 16.513 -19.596 800 HG LEU 97 HG LEU 97 -2.513 19.159 -19.954 801 HD11 LEU 97 1HD1 LEU 97 -1.135 20.003 -18.111 802 HD12 LEU 97 2HD1 LEU 97 -0.435 18.400 -17.873 803 HD13 LEU 97 3HD1 LEU 97 -2.156 18.669 -17.582 804 HD21 LEU 97 1HD2 LEU 97 0.416 18.470 -20.406 805 HD22 LEU 97 2HD2 LEU 97 -0.290 20.088 -20.502 806 HD23 LEU 97 3HD2 LEU 97 -0.780 18.847 -21.651 807 H PHE 98 H PHE 98 -1.321 15.097 -22.908 808 HA PHE 98 HA PHE 98 -2.616 12.670 -22.764 809 HB2 PHE 98 2HB PHE 98 -0.443 11.688 -23.643 810 HB3 PHE 98 1HB PHE 98 -1.014 13.092 -24.528 811 HD1 PHE 98 HD1 PHE 98 1.699 11.768 -22.413 812 HD2 PHE 98 HD2 PHE 98 0.178 15.281 -24.329 813 HE1 PHE 98 HE1 PHE 98 3.856 12.900 -22.072 814 HE2 PHE 98 HE2 PHE 98 2.342 16.401 -23.981 815 HZ PHE 98 HZ PHE 98 4.172 15.218 -22.843 816 H GLN 99 H GLN 99 -0.011 13.891 -20.745 817 HA GLN 99 HA GLN 99 -0.812 12.309 -18.485 818 HB2 GLN 99 2HB GLN 99 0.668 10.682 -19.687 819 HB3 GLN 99 1HB GLN 99 1.977 11.857 -19.670 820 HG2 GLN 99 2HG GLN 99 2.282 10.126 -17.954 821 HG3 GLN 99 1HG GLN 99 2.104 11.722 -17.229 822 HE21 GLN 99 1HE2 GLN 99 0.513 8.650 -17.781 823 HE22 GLN 99 2HE2 GLN 99 -0.680 8.826 -16.543 824 H GLY 100 H GLY 100 -0.086 13.242 -16.569 825 HA2 GLY 100 2HA GLY 100 2.007 15.050 -16.204 826 HA3 GLY 100 1HA GLY 100 0.559 15.993 -16.557 827 HA PRO 101 HA PRO 101 0.680 14.410 -11.983 828 HB2 PRO 101 2HB PRO 101 1.796 17.024 -11.100 829 HB3 PRO 101 1HB PRO 101 2.377 15.383 -10.755 830 HG2 PRO 101 2HG PRO 101 3.742 17.066 -12.369 831 HG3 PRO 101 1HG PRO 101 3.731 15.305 -12.624 832 HD2 PRO 101 2HD PRO 101 2.113 17.424 -14.050 833 HD3 PRO 101 1HD PRO 101 2.994 16.030 -14.725 834 H SER 102 H SER 102 -1.566 14.562 -12.316 835 HA SER 102 HA SER 102 -2.884 17.086 -11.511 836 HB2 SER 102 2HB SER 102 -3.058 16.928 -13.969 837 HB3 SER 102 1HB SER 102 -3.697 15.287 -13.852 838 HG SER 102 HG SER 102 -4.927 17.745 -13.314 839 H ALA 103 H ALA 103 -4.675 16.848 -10.267 840 HA ALA 103 HA ALA 103 -5.188 14.421 -8.833 841 HB1 ALA 103 1HB ALA 103 -6.931 15.752 -7.701 842 HB2 ALA 103 2HB ALA 103 -6.744 17.034 -8.903 843 HB3 ALA 103 3HB ALA 103 -5.416 16.650 -7.807 844 H GLY 104 H GLY 104 -6.368 15.709 -11.784 845 HA2 GLY 104 2HA GLY 104 -7.724 13.722 -12.894 846 HA3 GLY 104 1HA GLY 104 -8.951 14.315 -11.772 847 H LEU 105 H LEU 105 -7.951 14.555 -14.895 848 HA LEU 105 HA LEU 105 -8.064 17.321 -15.506 849 HB2 LEU 105 2HB LEU 105 -8.816 14.963 -17.293 850 HB3 LEU 105 1HB LEU 105 -8.472 16.593 -17.850 851 HG LEU 105 HG LEU 105 -6.475 14.675 -16.582 852 HD11 LEU 105 1HD1 LEU 105 -7.049 14.052 -18.873 853 HD12 LEU 105 2HD1 LEU 105 -5.394 14.650 -18.791 854 HD13 LEU 105 3HD1 LEU 105 -6.671 15.682 -19.442 855 HD21 LEU 105 1HD2 LEU 105 -4.747 16.372 -17.066 856 HD22 LEU 105 2HD2 LEU 105 -5.933 16.956 -15.903 857 HD23 LEU 105 3HD2 LEU 105 -6.002 17.506 -17.579 858 H VAL 106 H VAL 106 -10.522 14.906 -15.055 859 HA VAL 106 HA VAL 106 -12.795 16.030 -16.202 860 HB VAL 106 HB VAL 106 -14.090 14.574 -14.633 861 HG11 VAL 106 1HG1 VAL 106 -13.129 13.567 -16.659 862 HG12 VAL 106 2HG1 VAL 106 -13.152 12.407 -15.332 863 HG13 VAL 106 3HG1 VAL 106 -11.637 13.193 -15.791 864 HG21 VAL 106 1HG2 VAL 106 -12.776 14.908 -12.587 865 HG22 VAL 106 2HG2 VAL 106 -11.398 14.063 -13.295 866 HG23 VAL 106 3HG2 VAL 106 -12.891 13.185 -12.951 867 HA PRO 107 HA PRO 107 -13.999 19.360 -13.314 868 HB2 PRO 107 2HB PRO 107 -16.700 19.462 -13.867 869 HB3 PRO 107 1HB PRO 107 -15.470 20.148 -14.947 870 HG2 PRO 107 2HG PRO 107 -16.880 17.504 -15.148 871 HG3 PRO 107 1HG PRO 107 -16.535 18.698 -16.424 872 HD2 PRO 107 2HD PRO 107 -15.001 16.486 -16.097 873 HD3 PRO 107 1HD PRO 107 -14.312 18.032 -16.640 874 H ARG 108 H ARG 108 -14.282 19.124 -11.210 875 HA ARG 108 HA ARG 108 -15.687 16.783 -10.093 876 HB2 ARG 108 2HB ARG 108 -13.726 18.682 -8.721 877 HB3 ARG 108 1HB ARG 108 -14.342 17.162 -8.077 878 HG2 ARG 108 2HG ARG 108 -13.070 15.872 -9.673 879 HG3 ARG 108 1HG ARG 108 -12.638 17.321 -10.587 880 HD2 ARG 108 2HD ARG 108 -11.703 16.581 -7.795 881 HD3 ARG 108 1HD ARG 108 -10.723 16.639 -9.264 882 HE ARG 108 HE ARG 108 -11.901 18.978 -7.882 883 HH11 ARG 108 1HH1 ARG 108 -9.394 17.665 -9.988 884 HH12 ARG 108 2HH1 ARG 108 -8.527 19.166 -10.071 885 HH21 ARG 108 1HH2 ARG 108 -10.780 20.910 -8.027 886 HH22 ARG 108 2HH2 ARG 108 -9.320 21.004 -8.956 887 H GLY 109 H GLY 109 -17.606 17.119 -9.125 888 HA2 GLY 109 2HA GLY 109 -18.262 18.941 -7.183 889 HA3 GLY 109 1HA GLY 109 -18.733 19.737 -8.684 890 H SER 110 H SER 110 -18.924 16.254 -8.442 891 HA SER 110 HA SER 110 -21.822 16.293 -7.929 892 HB2 SER 110 2HB SER 110 -20.576 14.827 -10.308 893 HB3 SER 110 1HB SER 110 -22.289 14.892 -9.885 894 HG SER 110 HG SER 110 -20.663 17.097 -10.642 895 H GLY 111 H GLY 111 -19.448 13.837 -9.038 896 HA2 GLY 111 2HA GLY 111 -18.401 12.425 -7.224 897 HA3 GLY 111 1HA GLY 111 -20.041 12.175 -6.640 898 H GLY 112 H GLY 112 -18.779 12.191 -9.973 899 HA2 GLY 112 2HA GLY 112 -19.834 9.462 -10.414 900 HA3 GLY 112 1HA GLY 112 -19.601 10.691 -11.646 901 H ILE 113 H ILE 113 -17.870 10.414 -12.927 902 HA ILE 113 HA ILE 113 -15.935 8.349 -12.503 903 HB ILE 113 HB ILE 113 -16.747 8.972 -14.771 904 HG12 ILE 113 2HG1 ILE 113 -13.724 9.347 -14.527 905 HG13 ILE 113 1HG1 ILE 113 -14.548 7.794 -14.526 906 HG21 ILE 113 1HG2 ILE 113 -16.911 11.408 -14.516 907 HG22 ILE 113 2HG2 ILE 113 -15.943 10.997 -15.931 908 HG23 ILE 113 3HG2 ILE 113 -15.151 11.540 -14.451 909 HD11 ILE 113 1HD1 ILE 113 -14.463 9.753 -16.821 910 HD12 ILE 113 2HD1 ILE 113 -15.310 8.204 -16.825 911 HD13 ILE 113 3HD1 ILE 113 -13.553 8.250 -16.682 912 H GLU 114 H GLU 114 -16.018 11.794 -12.025 913 HA GLU 114 HA GLU 114 -13.418 12.471 -11.349 914 HB2 GLU 114 2HB GLU 114 -14.446 14.191 -9.858 915 HB3 GLU 114 1HB GLU 114 -15.236 14.123 -11.432 916 HG2 GLU 114 2HG GLU 114 -17.072 12.804 -10.480 917 HG3 GLU 114 1HG GLU 114 -16.280 12.809 -8.909 918 H GLY 115 H GLY 115 -15.843 10.677 -9.500 919 HA2 GLY 115 2HA GLY 115 -14.644 10.585 -6.979 920 HA3 GLY 115 1HA GLY 115 -15.713 9.359 -7.654 921 H MET1001 H MET 1 -14.437 8.232 -9.663 922 HA MET1001 HA MET 1 -12.580 6.461 -8.529 923 HB2 MET1001 2HB MET 1 -13.894 5.849 -10.499 924 HB3 MET1001 1HB MET 1 -13.130 7.112 -11.450 925 HG2 MET1001 2HG MET 1 -10.940 5.897 -11.173 926 HG3 MET1001 1HG MET 1 -11.829 4.584 -10.400 927 HE1 MET1001 1HE MET 1 -12.523 5.858 -14.794 928 HE2 MET1001 2HE MET 1 -11.388 6.681 -13.726 929 HE3 MET1001 3HE MET 1 -13.124 6.790 -13.423 930 H THR1002 H THR 2 -12.050 9.305 -10.656 931 HA THR1002 HA THR 2 -9.261 8.905 -10.967 932 HB THR1002 HB THR 2 -9.217 11.331 -11.759 933 HG1 THR1002 HG1 THR 2 -11.112 11.951 -10.485 934 HG21 THR1002 1HG2 THR 2 -10.489 10.879 -13.819 935 HG22 THR1002 2HG2 THR 2 -11.280 9.506 -13.040 936 HG23 THR1002 3HG2 THR 2 -9.539 9.472 -13.337 937 H THR1003 H THR 3 -11.098 10.942 -8.664 938 HA THR1003 HA THR 3 -8.781 12.233 -7.577 939 HB THR1003 HB THR 3 -10.329 12.951 -5.709 940 HG1 THR1003 HG1 THR 3 -12.609 12.143 -6.995 941 HG21 THR1003 1HG2 THR 3 -11.391 13.413 -8.519 942 HG22 THR1003 2HG2 THR 3 -10.112 14.343 -7.736 943 HG23 THR1003 3HG2 THR 3 -11.758 14.403 -7.104 944 H ARG1004 H ARG 4 -10.786 9.462 -6.564 945 HA ARG1004 HA ARG 4 -9.517 8.885 -4.123 946 HB2 ARG1004 2HB ARG 4 -10.923 7.040 -6.088 947 HB3 ARG1004 1HB ARG 4 -10.332 6.491 -4.522 948 HG2 ARG1004 2HG ARG 4 -11.850 8.079 -3.395 949 HG3 ARG1004 1HG ARG 4 -12.450 8.617 -4.967 950 HD2 ARG1004 2HD ARG 4 -13.186 6.253 -5.424 951 HD3 ARG1004 1HD ARG 4 -12.706 5.834 -3.772 952 HE ARG1004 HE ARG 4 -14.511 8.056 -3.848 953 HH11 ARG1004 1HH1 ARG 4 -14.415 4.547 -3.954 954 HH12 ARG1004 2HH1 ARG 4 -16.037 4.364 -3.376 955 HH21 ARG1004 1HH2 ARG 4 -16.643 7.808 -3.114 956 HH22 ARG1004 2HH2 ARG 4 -17.307 6.216 -2.899 957 H LEU1005 H LEU 5 -8.850 7.677 -7.418 958 HA LEU1005 HA LEU 5 -6.715 5.963 -6.584 959 HB2 LEU1005 2HB LEU 5 -7.722 6.771 -9.323 960 HB3 LEU1005 1HB LEU 5 -6.292 5.771 -9.126 961 HG LEU1005 HG LEU 5 -9.102 5.035 -8.216 962 HD11 LEU1005 1HD1 LEU 5 -7.414 3.907 -10.474 963 HD12 LEU1005 2HD1 LEU 5 -8.836 4.937 -10.649 964 HD13 LEU1005 3HD1 LEU 5 -9.004 3.320 -9.973 965 HD21 LEU1005 1HD2 LEU 5 -8.162 2.823 -7.641 966 HD22 LEU1005 2HD2 LEU 5 -7.446 4.101 -6.664 967 HD23 LEU1005 3HD2 LEU 5 -6.537 3.410 -8.011 968 H THR1006 H THR 6 -6.802 9.306 -7.777 969 HA THR1006 HA THR 6 -3.952 9.452 -8.211 970 HB THR1006 HB THR 6 -4.319 11.977 -8.192 971 HG1 THR1006 HG1 THR 6 -6.974 11.937 -8.533 972 HG21 THR1006 1HG2 THR 6 -5.475 12.035 -10.365 973 HG22 THR1006 2HG2 THR 6 -6.082 10.398 -10.111 974 HG23 THR1006 3HG2 THR 6 -4.350 10.676 -10.310 975 H ARG1007 H ARG 7 -6.127 10.343 -5.485 976 HA ARG1007 HA ARG 7 -4.119 11.186 -3.650 977 HB2 ARG1007 2HB ARG 7 -6.826 9.878 -3.122 978 HB3 ARG1007 1HB ARG 7 -5.804 10.543 -1.852 979 HG2 ARG1007 2HG ARG 7 -7.046 12.108 -4.129 980 HG3 ARG1007 1HG ARG 7 -7.619 12.074 -2.465 981 HD2 ARG1007 2HD ARG 7 -4.973 13.191 -3.438 982 HD3 ARG1007 1HD ARG 7 -6.360 14.119 -2.872 983 HE ARG1007 HE ARG 7 -4.534 12.499 -1.228 984 HH11 ARG1007 1HH1 ARG 7 -7.200 14.795 -1.349 985 HH12 ARG1007 2HH1 ARG 7 -7.096 15.179 0.341 986 HH21 ARG1007 1HH2 ARG 7 -4.403 13.030 0.980 987 HH22 ARG1007 2HH2 ARG 7 -5.516 14.184 1.653 988 H TRP1008 H TRP 8 -5.433 8.056 -4.484 989 HA TRP1008 HA TRP 8 -4.167 6.429 -2.579 990 HB2 TRP1008 2HB TRP 8 -5.934 5.349 -3.623 991 HB3 TRP1008 1HB TRP 8 -5.587 6.040 -5.195 992 HD1 TRP1008 HD1 TRP 8 -3.779 4.745 -6.720 993 HE1 TRP1008 HE1 TRP 8 -3.073 2.297 -6.772 994 HE3 TRP1008 HE3 TRP 8 -5.597 3.262 -2.181 995 HZ2 TRP1008 HZ2 TRP 8 -3.296 0.015 -5.181 996 HZ3 TRP1008 HZ3 TRP 8 -5.338 0.906 -1.534 997 HH2 TRP1008 HH2 TRP 8 -4.207 -0.687 -3.008 998 H LEU1009 H LEU 9 -3.123 7.438 -5.877 999 HA LEU1009 HA LEU 9 -0.767 5.767 -5.887 1000 HB2 LEU1009 2HB LEU 9 -1.567 8.091 -7.691 1001 HB3 LEU1009 1HB LEU 9 -0.105 7.154 -7.924 1002 HG LEU1009 HG LEU 9 -2.958 6.121 -8.206 1003 HD11 LEU1009 1HD1 LEU 9 -2.292 7.562 -10.060 1004 HD12 LEU1009 2HD1 LEU 9 -2.430 5.890 -10.594 1005 HD13 LEU1009 3HD1 LEU 9 -0.834 6.600 -10.324 1006 HD21 LEU1009 1HD2 LEU 9 -1.497 4.340 -7.335 1007 HD22 LEU1009 2HD2 LEU 9 -0.386 4.582 -8.686 1008 HD23 LEU1009 3HD2 LEU 9 -2.036 4.006 -8.983 1009 H THR1010 H THR 10 -1.537 9.117 -5.178 1010 HA THR1010 HA THR 10 0.979 10.222 -4.689 1011 HB THR1010 HB THR 10 -1.775 10.769 -3.508 1012 HG1 THR1010 HG1 THR 10 -1.950 11.922 -5.251 1013 HG21 THR1010 1HG2 THR 10 -0.141 11.546 -1.838 1014 HG22 THR1010 2HG2 THR 10 -0.940 12.907 -2.624 1015 HG23 THR1010 3HG2 THR 10 0.708 12.467 -3.081 1016 H ALA1011 H ALA 11 -1.221 8.440 -2.507 1017 HA ALA1011 HA ALA 11 0.483 8.576 -0.203 1018 HB1 ALA1011 1HB ALA 11 -1.952 8.394 0.010 1019 HB2 ALA1011 2HB ALA 11 -1.149 7.053 0.829 1020 HB3 ALA1011 3HB ALA 11 -1.919 6.798 -0.741 1021 H LEU1012 H LEU 12 0.102 6.292 -2.876 1022 HA LEU1012 HA LEU 12 1.538 4.093 -1.774 1023 HB2 LEU1012 2HB LEU 12 1.309 4.894 -4.715 1024 HB3 LEU1012 1HB LEU 12 1.919 3.360 -4.125 1025 HG LEU1012 HG LEU 12 -0.930 4.348 -4.235 1026 HD11 LEU1012 1HD1 LEU 12 0.369 1.761 -5.128 1027 HD12 LEU1012 2HD1 LEU 12 -0.082 3.121 -6.160 1028 HD13 LEU1012 3HD1 LEU 12 -1.331 2.194 -5.333 1029 HD21 LEU1012 1HD2 LEU 12 -0.741 3.600 -1.942 1030 HD22 LEU1012 2HD2 LEU 12 0.018 2.088 -2.450 1031 HD23 LEU1012 3HD2 LEU 12 -1.666 2.419 -2.871 1032 H ASP1013 H ASP 13 2.479 6.741 -3.908 1033 HA ASP1013 HA ASP 13 5.194 6.070 -4.223 1034 HB2 ASP1013 2HB ASP 13 3.890 7.524 -5.781 1035 HB3 ASP1013 1HB ASP 13 3.838 8.790 -4.559 1036 H ASN1014 H ASN 14 3.481 8.193 -1.957 1037 HA ASN1014 HA ASN 14 5.741 9.351 -0.679 1038 HB2 ASN1014 2HB ASN 14 3.446 10.325 -0.533 1039 HB3 ASN1014 1HB ASN 14 2.922 8.942 0.423 1040 HD21 ASN1014 1HD2 ASN 14 2.396 10.137 2.243 1041 HD22 ASN1014 2HD2 ASN 14 3.576 10.921 3.235 1042 H PHE1015 H PHE 15 3.695 6.515 0.084 1043 HA PHE1015 HA PHE 15 4.906 5.756 2.507 1044 HB2 PHE1015 2HB PHE 15 2.782 4.801 1.985 1045 HB3 PHE1015 1HB PHE 15 3.322 4.219 0.417 1046 HD1 PHE1015 HD1 PHE 15 3.841 1.979 0.220 1047 HD2 PHE1015 HD2 PHE 15 4.044 3.707 4.099 1048 HE1 PHE1015 HE1 PHE 15 4.268 -0.238 1.154 1049 HE2 PHE1015 HE2 PHE 15 4.488 1.471 5.054 1050 HZ PHE1015 HZ PHE 15 4.589 -0.507 3.575 1051 H GLU1016 H GLU 16 5.333 4.307 -0.742 1052 HA GLU1016 HA GLU 16 7.419 2.617 -0.385 1053 HB2 GLU1016 2HB GLU 16 6.175 2.864 -2.498 1054 HB3 GLU1016 1HB GLU 16 6.925 4.433 -2.774 1055 HG2 GLU1016 2HG GLU 16 9.171 3.220 -2.847 1056 HG3 GLU1016 1HG GLU 16 8.261 1.710 -2.828 1057 H ALA1017 H ALA 17 7.724 6.083 -1.213 1058 HA ALA1017 HA ALA 17 10.528 6.230 -1.336 1059 HB1 ALA1017 1HB ALA 17 10.248 8.661 -1.153 1060 HB2 ALA1017 2HB ALA 17 8.581 8.444 -0.607 1061 HB3 ALA1017 3HB ALA 17 9.045 7.972 -2.243 1062 H LYS1018 H LYS 18 8.383 7.263 1.338 1063 HA LYS1018 HA LYS 18 10.415 8.045 3.137 1064 HB2 LYS1018 2HB LYS 18 8.053 8.843 3.254 1065 HB3 LYS1018 1HB LYS 18 7.536 7.234 3.736 1066 HG2 LYS1018 2HG LYS 18 7.612 8.607 5.714 1067 HG3 LYS1018 1HG LYS 18 8.941 7.451 5.813 1068 HD2 LYS1018 2HD LYS 18 9.691 9.662 6.547 1069 HD3 LYS1018 1HD LYS 18 10.513 9.226 5.046 1070 HE2 LYS1018 2HE LYS 18 8.959 10.640 3.767 1071 HE3 LYS1018 1HE LYS 18 8.078 11.034 5.248 1072 HZ1 LYS1018 1HZ LYS 18 10.049 12.109 6.104 1073 HZ2 LYS1018 2HZ LYS 18 9.623 12.783 4.613 1074 HZ3 LYS1018 3HZ LYS 18 10.921 11.709 4.713 1075 H MET1019 H MET 19 8.739 4.989 2.673 1076 HA MET1019 HA MET 19 9.744 3.848 5.132 1077 HB2 MET1019 2HB MET 19 8.371 2.005 4.795 1078 HB3 MET1019 1HB MET 19 7.437 3.314 4.104 1079 HG2 MET1019 2HG MET 19 7.441 2.373 2.027 1080 HG3 MET1019 1HG MET 19 9.130 1.880 2.134 1081 HE1 MET1019 1HE MET 19 8.900 0.281 4.991 1082 HE2 MET1019 2HE MET 19 9.928 -0.181 3.630 1083 HE3 MET1019 3HE MET 19 8.812 -1.350 4.339 1084 H ALA1020 H ALA 20 10.670 3.861 1.748 1085 HA ALA1020 HA ALA 20 12.769 1.929 1.969 1086 HB1 ALA1020 1HB ALA 20 11.964 2.709 -0.217 1087 HB2 ALA1020 2HB ALA 20 13.697 3.005 -0.054 1088 HB3 ALA1020 3HB ALA 20 12.549 4.339 0.123 1089 H LEU1021 H LEU 21 12.473 5.394 2.632 1090 HA LEU1021 HA LEU 21 15.189 5.932 3.291 1091 HB2 LEU1021 2HB LEU 21 12.643 7.378 4.143 1092 HB3 LEU1021 1HB LEU 21 14.265 7.997 4.409 1093 HG LEU1021 HG LEU 21 13.050 7.490 1.663 1094 HD11 LEU1021 1HD1 LEU 21 11.886 9.333 2.791 1095 HD12 LEU1021 2HD1 LEU 21 12.839 9.913 1.430 1096 HD13 LEU1021 3HD1 LEU 21 13.427 10.150 3.077 1097 HD21 LEU1021 1HD2 LEU 21 15.477 7.270 1.644 1098 HD22 LEU1021 2HD2 LEU 21 15.653 8.845 2.420 1099 HD23 LEU1021 3HD2 LEU 21 14.983 8.731 0.790 1100 H LEU1022 H LEU 22 12.504 4.602 5.205 1101 HA LEU1022 HA LEU 22 13.456 4.687 7.795 1102 HB2 LEU1022 2HB LEU 22 12.144 2.339 6.380 1103 HB3 LEU1022 1HB LEU 22 12.464 2.335 8.103 1104 HG LEU1022 HG LEU 22 10.582 4.263 6.675 1105 HD11 LEU1022 1HD1 LEU 22 9.691 1.975 6.697 1106 HD12 LEU1022 2HD1 LEU 22 8.768 3.019 7.773 1107 HD13 LEU1022 3HD1 LEU 22 9.934 1.874 8.445 1108 HD21 LEU1022 1HD2 LEU 22 9.867 4.954 8.913 1109 HD22 LEU1022 2HD2 LEU 22 11.580 5.291 8.668 1110 HD23 LEU1022 3HD2 LEU 22 11.087 3.905 9.647 1111 HA PRO1023 HA PRO 23 17.185 1.965 7.528 1112 HB2 PRO1023 2HB PRO 23 18.745 3.281 9.266 1113 HB3 PRO1023 1HB PRO 23 18.361 4.022 7.699 1114 HG2 PRO1023 2HG PRO 23 17.285 4.687 10.397 1115 HG3 PRO1023 1HG PRO 23 17.576 5.749 9.005 1116 HD2 PRO1023 2HD PRO 23 15.079 4.533 9.766 1117 HD3 PRO1023 1HD PRO 23 15.407 5.516 8.322 1118 H ALA1024 H ALA 24 14.698 1.547 9.189 1119 HA ALA1024 HA ALA 24 15.655 0.872 11.880 1120 HB1 ALA1024 1HB ALA 24 12.835 0.843 10.733 1121 HB2 ALA1024 2HB ALA 24 13.566 2.169 11.639 1122 HB3 ALA1024 3HB ALA 24 13.275 0.620 12.431 1123 H VAL1025 H VAL 25 13.572 -0.737 9.460 1124 HA VAL1025 HA VAL 25 14.085 -3.370 10.587 1125 HB VAL1025 HB VAL 25 12.371 -2.603 8.178 1126 HG11 VAL1025 1HG1 VAL 25 12.344 -5.144 9.849 1127 HG12 VAL1025 2HG1 VAL 25 12.943 -4.989 8.197 1128 HG13 VAL1025 3HG1 VAL 25 11.227 -4.764 8.534 1129 HG21 VAL1025 1HG2 VAL 25 11.606 -1.400 10.179 1130 HG22 VAL1025 2HG2 VAL 25 11.504 -2.918 11.075 1131 HG23 VAL1025 3HG2 VAL 25 10.432 -2.630 9.703 Start of MODEL 10 1 H1 MET 1 1H MET 1 5.203 -5.772 24.760 2 H2 MET 1 2H MET 1 5.149 -7.170 25.709 3 H3 MET 1 3H MET 1 3.814 -6.144 25.641 4 HA MET 1 HA MET 1 4.914 -7.678 23.376 5 HB2 MET 1 2HB MET 1 3.821 -9.086 25.147 6 HB3 MET 1 1HB MET 1 2.348 -8.150 24.960 7 HG2 MET 1 2HG MET 1 2.124 -8.960 22.648 8 HG3 MET 1 1HG MET 1 3.614 -9.890 22.828 9 HE1 MET 1 1HE MET 1 0.665 -12.583 22.790 10 HE2 MET 1 2HE MET 1 2.084 -11.994 21.922 11 HE3 MET 1 3HE MET 1 0.607 -11.031 21.956 12 H THR 2 H THR 2 3.019 -4.999 24.442 13 HA THR 2 HA THR 2 0.940 -4.973 22.557 14 HB THR 2 HB THR 2 0.730 -2.501 23.128 15 HG1 THR 2 HG1 THR 2 2.087 -1.790 24.874 16 HG21 THR 2 1HG2 THR 2 -0.483 -4.208 24.447 17 HG22 THR 2 2HG2 THR 2 0.039 -2.868 25.466 18 HG23 THR 2 3HG2 THR 2 0.916 -4.396 25.505 19 H SER 3 H SER 3 4.063 -3.182 22.488 20 HA SER 3 HA SER 3 3.634 -1.831 20.043 21 HB2 SER 3 2HB SER 3 6.306 -2.617 21.284 22 HB3 SER 3 1HB SER 3 6.042 -1.336 20.107 23 HG SER 3 HG SER 3 4.450 -0.629 21.931 24 H THR 4 H THR 4 5.054 -4.978 20.780 25 HA THR 4 HA THR 4 6.118 -5.647 18.264 26 HB THR 4 HB THR 4 5.140 -7.383 20.565 27 HG1 THR 4 HG1 THR 4 7.718 -6.437 19.787 28 HG21 THR 4 1HG2 THR 4 6.559 -9.192 19.602 29 HG22 THR 4 2HG2 THR 4 6.789 -8.216 18.150 30 HG23 THR 4 3HG2 THR 4 5.178 -8.798 18.574 31 H VAL 5 H VAL 5 3.018 -6.678 19.782 32 HA VAL 5 HA VAL 5 1.920 -8.036 17.593 33 HB VAL 5 HB VAL 5 0.506 -6.554 19.863 34 HG11 VAL 5 1HG1 VAL 5 -1.501 -7.908 19.347 35 HG12 VAL 5 2HG1 VAL 5 -0.688 -8.583 17.932 36 HG13 VAL 5 3HG1 VAL 5 -1.070 -6.861 17.991 37 HG21 VAL 5 1HG2 VAL 5 1.143 -9.512 19.554 38 HG22 VAL 5 2HG2 VAL 5 0.283 -8.775 20.909 39 HG23 VAL 5 3HG2 VAL 5 1.980 -8.385 20.622 40 H GLU 6 H GLU 6 1.529 -4.652 18.618 41 HA GLU 6 HA GLU 6 -0.265 -3.702 16.740 42 HB2 GLU 6 2HB GLU 6 0.506 -2.481 18.766 43 HB3 GLU 6 1HB GLU 6 2.091 -2.266 18.038 44 HG2 GLU 6 2HG GLU 6 0.932 -0.190 17.858 45 HG3 GLU 6 1HG GLU 6 1.003 -0.891 16.246 46 H PHE 7 H PHE 7 3.291 -3.770 16.542 47 HA PHE 7 HA PHE 7 3.517 -2.379 14.071 48 HB2 PHE 7 2HB PHE 7 5.264 -2.563 15.922 49 HB3 PHE 7 1HB PHE 7 5.593 -4.199 15.370 50 HD1 PHE 7 HD1 PHE 7 7.440 -4.449 13.917 51 HD2 PHE 7 HD2 PHE 7 5.339 -0.715 13.966 52 HE1 PHE 7 HE1 PHE 7 9.082 -3.492 12.356 53 HE2 PHE 7 HE2 PHE 7 6.988 0.224 12.408 54 HZ PHE 7 HZ PHE 7 8.859 -1.157 11.606 55 H ILE 8 H ILE 8 4.013 -5.835 14.905 56 HA ILE 8 HA ILE 8 4.527 -6.818 12.317 57 HB ILE 8 HB ILE 8 3.414 -8.274 14.757 58 HG12 ILE 8 2HG1 ILE 8 6.277 -8.145 13.709 59 HG13 ILE 8 1HG1 ILE 8 5.666 -7.241 15.091 60 HG21 ILE 8 1HG2 ILE 8 4.166 -10.388 13.706 61 HG22 ILE 8 2HG2 ILE 8 4.599 -9.504 12.242 62 HG23 ILE 8 3HG2 ILE 8 2.912 -9.597 12.747 63 HD11 ILE 8 1HD1 ILE 8 5.860 -10.245 14.891 64 HD12 ILE 8 2HD1 ILE 8 5.239 -9.338 16.273 65 HD13 ILE 8 3HD1 ILE 8 6.928 -9.175 15.799 66 H ASN 9 H ASN 9 1.479 -6.480 14.133 67 HA ASN 9 HA ASN 9 -0.089 -8.002 12.257 68 HB2 ASN 9 2HB ASN 9 -0.905 -6.277 14.625 69 HB3 ASN 9 1HB ASN 9 -2.076 -7.086 13.591 70 HD21 ASN 9 1HD2 ASN 9 1.043 -8.492 14.599 71 HD22 ASN 9 2HD2 ASN 9 0.343 -9.724 15.580 72 H ARG 10 H ARG 10 0.492 -4.507 12.790 73 HA ARG 10 HA ARG 10 -1.358 -3.642 10.796 74 HB2 ARG 10 2HB ARG 10 1.093 -2.307 11.974 75 HB3 ARG 10 1HB ARG 10 0.175 -1.550 10.671 76 HG2 ARG 10 2HG ARG 10 -1.839 -1.514 12.068 77 HG3 ARG 10 1HG ARG 10 -0.978 -2.347 13.367 78 HD2 ARG 10 2HD ARG 10 -0.333 0.408 12.270 79 HD3 ARG 10 1HD ARG 10 -1.103 0.050 13.824 80 HE ARG 10 HE ARG 10 1.357 -1.316 13.670 81 HH11 ARG 10 1HH1 ARG 10 0.129 1.939 14.056 82 HH12 ARG 10 2HH1 ARG 10 1.521 2.488 14.918 83 HH21 ARG 10 1HH2 ARG 10 3.154 -0.628 14.813 84 HH22 ARG 10 2HH2 ARG 10 3.264 1.013 15.356 85 H TRP 11 H TRP 11 2.156 -4.391 10.629 86 HA TRP 11 HA TRP 11 2.397 -3.921 7.850 87 HB2 TRP 11 2HB TRP 11 4.069 -5.486 9.834 88 HB3 TRP 11 1HB TRP 11 4.452 -5.556 8.116 89 HD1 TRP 11 HD1 TRP 11 5.386 -3.652 11.073 90 HE1 TRP 11 HE1 TRP 11 6.509 -1.442 10.427 91 HE3 TRP 11 HE3 TRP 11 4.050 -3.419 6.138 92 HZ2 TRP 11 HZ2 TRP 11 6.802 0.212 8.183 93 HZ3 TRP 11 HZ3 TRP 11 4.782 -1.477 4.813 94 HH2 TRP 11 HH2 TRP 11 6.127 0.300 5.820 95 H GLN 12 H GLN 12 1.370 -6.773 9.651 96 HA GLN 12 HA GLN 12 1.313 -8.629 7.493 97 HB2 GLN 12 2HB GLN 12 1.261 -9.317 9.889 98 HB3 GLN 12 1HB GLN 12 -0.327 -8.599 10.078 99 HG2 GLN 12 2HG GLN 12 -0.107 -10.683 7.948 100 HG3 GLN 12 1HG GLN 12 0.115 -11.257 9.594 101 HE21 GLN 12 1HE2 GLN 12 -1.789 -12.504 9.411 102 HE22 GLN 12 2HE2 GLN 12 -3.363 -11.790 9.460 103 H ARG 13 H ARG 13 -0.990 -6.337 8.853 104 HA ARG 13 HA ARG 13 -3.239 -7.004 7.272 105 HB2 ARG 13 2HB ARG 13 -3.413 -5.745 9.397 106 HB3 ARG 13 1HB ARG 13 -2.535 -4.394 8.687 107 HG2 ARG 13 2HG ARG 13 -4.953 -3.943 8.798 108 HG3 ARG 13 1HG ARG 13 -4.391 -3.976 7.126 109 HD2 ARG 13 2HD ARG 13 -5.242 -6.322 6.933 110 HD3 ARG 13 1HD ARG 13 -5.882 -6.197 8.577 111 HE ARG 13 HE ARG 13 -6.891 -4.056 7.091 112 HH11 ARG 13 1HH1 ARG 13 -7.207 -7.559 7.149 113 HH12 ARG 13 2HH1 ARG 13 -8.809 -7.546 6.488 114 HH21 ARG 13 1HH2 ARG 13 -8.977 -4.042 6.217 115 HH22 ARG 13 2HH2 ARG 13 -9.819 -5.536 5.955 116 H ILE 14 H ILE 14 -0.614 -4.629 6.874 117 HA ILE 14 HA ILE 14 -1.597 -3.385 4.497 118 HB ILE 14 HB ILE 14 1.249 -3.480 5.635 119 HG12 ILE 14 2HG1 ILE 14 -0.833 -1.265 5.884 120 HG13 ILE 14 1HG1 ILE 14 -0.475 -2.430 7.146 121 HG21 ILE 14 1HG2 ILE 14 1.751 -1.510 4.261 122 HG22 ILE 14 2HG2 ILE 14 0.128 -1.551 3.571 123 HG23 ILE 14 3HG2 ILE 14 1.260 -2.860 3.235 124 HD11 ILE 14 1HD1 ILE 14 1.823 -1.581 7.266 125 HD12 ILE 14 2HD1 ILE 14 0.615 -0.339 7.593 126 HD13 ILE 14 3HD1 ILE 14 1.429 -0.380 6.030 127 H ALA 15 H ALA 15 0.503 -6.147 5.176 128 HA ALA 15 HA ALA 15 1.455 -6.668 2.563 129 HB1 ALA 15 1HB ALA 15 2.460 -7.663 4.581 130 HB2 ALA 15 2HB ALA 15 1.994 -8.910 3.423 131 HB3 ALA 15 3HB ALA 15 0.999 -8.615 4.854 132 H LEU 16 H LEU 16 -1.263 -8.062 4.417 133 HA LEU 16 HA LEU 16 -2.348 -9.711 2.422 134 HB2 LEU 16 2HB LEU 16 -3.715 -8.379 4.794 135 HB3 LEU 16 1HB LEU 16 -4.472 -9.610 3.796 136 HG LEU 16 HG LEU 16 -2.087 -9.979 5.649 137 HD11 LEU 16 1HD1 LEU 16 -4.237 -9.856 6.801 138 HD12 LEU 16 2HD1 LEU 16 -3.572 -11.485 6.891 139 HD13 LEU 16 3HD1 LEU 16 -4.892 -11.132 5.770 140 HD21 LEU 16 1HD2 LEU 16 -1.717 -11.341 3.653 141 HD22 LEU 16 2HD2 LEU 16 -3.331 -12.044 3.801 142 HD23 LEU 16 3HD2 LEU 16 -2.109 -12.360 5.037 143 H LEU 17 H LEU 17 -3.086 -6.351 3.336 144 HA LEU 17 HA LEU 17 -5.247 -5.925 1.587 145 HB2 LEU 17 2HB LEU 17 -3.314 -3.998 2.918 146 HB3 LEU 17 1HB LEU 17 -4.578 -3.419 1.850 147 HG LEU 17 HG LEU 17 -5.101 -5.006 4.403 148 HD11 LEU 17 1HD1 LEU 17 -4.115 -2.820 4.933 149 HD12 LEU 17 2HD1 LEU 17 -5.802 -2.903 5.432 150 HD13 LEU 17 3HD1 LEU 17 -5.357 -2.013 3.972 151 HD21 LEU 17 1HD2 LEU 17 -6.879 -5.258 2.726 152 HD22 LEU 17 2HD2 LEU 17 -7.033 -3.503 2.605 153 HD23 LEU 17 3HD2 LEU 17 -7.435 -4.327 4.116 154 H SER 18 H SER 18 -1.735 -5.244 1.164 155 HA SER 18 HA SER 18 -1.950 -3.964 -1.348 156 HB2 SER 18 2HB SER 18 0.505 -4.293 -1.519 157 HB3 SER 18 1HB SER 18 0.040 -3.708 0.076 158 HG SER 18 HG SER 18 0.560 -5.587 0.949 159 H GLN 19 H GLN 19 -1.247 -7.372 -0.507 160 HA GLN 19 HA GLN 19 -0.814 -8.185 -3.208 161 HB2 GLN 19 2HB GLN 19 -0.728 -10.464 -2.369 162 HB3 GLN 19 1HB GLN 19 0.186 -9.393 -1.314 163 HG2 GLN 19 2HG GLN 19 -1.691 -9.392 0.291 164 HG3 GLN 19 1HG GLN 19 -2.573 -10.506 -0.751 165 HE21 GLN 19 1HE2 GLN 19 -1.828 -12.649 -0.950 166 HE22 GLN 19 2HE2 GLN 19 -0.749 -13.352 0.201 167 H SER 20 H SER 20 -3.653 -8.288 -1.060 168 HA SER 20 HA SER 20 -5.429 -9.594 -2.829 169 HB2 SER 20 2HB SER 20 -6.032 -7.584 -0.614 170 HB3 SER 20 1HB SER 20 -7.248 -8.561 -1.445 171 HG SER 20 HG SER 20 -5.728 -9.239 0.635 172 H LEU 21 H LEU 21 -4.557 -6.189 -2.379 173 HA LEU 21 HA LEU 21 -6.431 -5.024 -4.152 174 HB2 LEU 21 2HB LEU 21 -3.790 -4.074 -3.004 175 HB3 LEU 21 1HB LEU 21 -4.669 -3.087 -4.156 176 HG LEU 21 HG LEU 21 -5.912 -4.006 -1.531 177 HD11 LEU 21 1HD1 LEU 21 -4.479 -1.384 -2.051 178 HD12 LEU 21 2HD1 LEU 21 -3.912 -2.688 -1.006 179 HD13 LEU 21 3HD1 LEU 21 -5.380 -1.808 -0.592 180 HD21 LEU 21 1HD2 LEU 21 -7.449 -2.109 -1.938 181 HD22 LEU 21 2HD2 LEU 21 -7.532 -3.326 -3.206 182 HD23 LEU 21 3HD2 LEU 21 -6.665 -1.814 -3.491 183 H LEU 22 H LEU 22 -3.161 -6.362 -4.592 184 HA LEU 22 HA LEU 22 -2.854 -5.518 -7.289 185 HB2 LEU 22 2HB LEU 22 -0.919 -6.264 -5.941 186 HB3 LEU 22 1HB LEU 22 -1.571 -7.898 -5.893 187 HG LEU 22 HG LEU 22 -1.327 -8.069 -8.372 188 HD11 LEU 22 1HD1 LEU 22 -0.050 -5.327 -8.230 189 HD12 LEU 22 2HD1 LEU 22 -1.587 -5.738 -8.997 190 HD13 LEU 22 3HD1 LEU 22 -0.084 -6.383 -9.646 191 HD21 LEU 22 1HD2 LEU 22 1.089 -8.275 -8.480 192 HD22 LEU 22 2HD2 LEU 22 0.492 -8.877 -6.935 193 HD23 LEU 22 3HD2 LEU 22 1.271 -7.294 -7.024 194 H GLU 23 H GLU 23 -4.199 -8.461 -5.771 195 HA GLU 23 HA GLU 23 -4.879 -9.872 -8.114 196 HB2 GLU 23 2HB GLU 23 -6.374 -9.787 -5.460 197 HB3 GLU 23 1HB GLU 23 -6.677 -10.964 -6.729 198 HG2 GLU 23 2HG GLU 23 -4.165 -10.664 -5.071 199 HG3 GLU 23 1HG GLU 23 -5.344 -11.971 -4.993 200 H LEU 24 H LEU 24 -6.653 -7.386 -6.310 201 HA LEU 24 HA LEU 24 -9.061 -7.390 -7.775 202 HB2 LEU 24 2HB LEU 24 -7.781 -5.135 -6.168 203 HB3 LEU 24 1HB LEU 24 -9.454 -5.165 -6.696 204 HG LEU 24 HG LEU 24 -8.235 -7.165 -4.762 205 HD11 LEU 24 1HD1 LEU 24 -9.967 -4.765 -4.140 206 HD12 LEU 24 2HD1 LEU 24 -8.270 -4.986 -3.712 207 HD13 LEU 24 3HD1 LEU 24 -9.498 -6.019 -2.988 208 HD21 LEU 24 1HD2 LEU 24 -10.562 -7.818 -4.295 209 HD22 LEU 24 2HD2 LEU 24 -10.089 -8.143 -5.962 210 HD23 LEU 24 3HD2 LEU 24 -11.114 -6.752 -5.590 211 H ALA 25 H ALA 25 -6.065 -5.522 -8.163 212 HA ALA 25 HA ALA 25 -7.051 -3.721 -10.157 213 HB1 ALA 25 1HB ALA 25 -5.151 -3.164 -8.711 214 HB2 ALA 25 2HB ALA 25 -4.704 -3.058 -10.414 215 HB3 ALA 25 3HB ALA 25 -4.190 -4.445 -9.448 216 H GLN 26 H GLN 26 -5.067 -6.674 -10.272 217 HA GLN 26 HA GLN 26 -4.629 -6.730 -13.079 218 HB2 GLN 26 2HB GLN 26 -4.505 -8.892 -10.940 219 HB3 GLN 26 1HB GLN 26 -4.042 -9.182 -12.611 220 HG2 GLN 26 2HG GLN 26 -2.732 -7.095 -10.847 221 HG3 GLN 26 1HG GLN 26 -2.139 -8.744 -11.023 222 HE21 GLN 26 1HE2 GLN 26 -0.759 -6.270 -11.669 223 HE22 GLN 26 2HE2 GLN 26 -0.373 -6.350 -13.350 224 H ARG 27 H ARG 27 -7.223 -7.944 -11.019 225 HA ARG 27 HA ARG 27 -8.447 -9.550 -13.140 226 HB2 ARG 27 2HB ARG 27 -8.242 -10.163 -10.633 227 HB3 ARG 27 1HB ARG 27 -9.539 -9.011 -10.352 228 HG2 ARG 27 2HG ARG 27 -11.081 -10.355 -11.680 229 HG3 ARG 27 1HG ARG 27 -9.773 -11.444 -12.161 230 HD2 ARG 27 2HD ARG 27 -10.901 -11.062 -9.365 231 HD3 ARG 27 1HD ARG 27 -11.035 -12.508 -10.375 232 HE ARG 27 HE ARG 27 -8.431 -12.408 -10.197 233 HH11 ARG 27 1HH1 ARG 27 -10.662 -11.766 -7.551 234 HH12 ARG 27 2HH1 ARG 27 -9.535 -12.273 -6.335 235 HH21 ARG 27 1HH2 ARG 27 -6.952 -12.976 -8.585 236 HH22 ARG 27 2HH2 ARG 27 -7.439 -12.954 -6.923 237 H GLY 28 H GLY 28 -8.732 -6.409 -11.667 238 HA2 GLY 28 2HA GLY 28 -9.584 -4.574 -12.884 239 HA3 GLY 28 1HA GLY 28 -10.733 -5.622 -13.686 240 H GLU 29 H GLU 29 -10.631 -6.056 -10.228 241 HA GLU 29 HA GLU 29 -13.153 -4.680 -9.819 242 HB2 GLU 29 2HB GLU 29 -11.276 -5.910 -7.751 243 HB3 GLU 29 1HB GLU 29 -12.855 -5.227 -7.388 244 HG2 GLU 29 2HG GLU 29 -13.243 -7.524 -7.424 245 HG3 GLU 29 1HG GLU 29 -13.809 -6.982 -9.000 246 H TRP 30 H TRP 30 -12.578 -2.556 -10.482 247 HA TRP 30 HA TRP 30 -10.604 -0.959 -9.152 248 HB2 TRP 30 2HB TRP 30 -12.988 0.109 -10.728 249 HB3 TRP 30 1HB TRP 30 -11.423 0.881 -10.484 250 HD1 TRP 30 HD1 TRP 30 -13.270 -1.089 -13.001 251 HE1 TRP 30 HE1 TRP 30 -11.716 -2.010 -14.821 252 HE3 TRP 30 HE3 TRP 30 -8.749 -0.194 -10.773 253 HZ2 TRP 30 HZ2 TRP 30 -8.958 -2.327 -15.271 254 HZ3 TRP 30 HZ3 TRP 30 -6.690 -0.847 -11.954 255 HH2 TRP 30 HH2 TRP 30 -6.798 -1.891 -14.172 256 H ASP 31 H ASP 31 -14.018 -1.620 -8.659 257 HA ASP 31 HA ASP 31 -14.679 0.399 -6.799 258 HB2 ASP 31 2HB ASP 31 -15.822 -2.418 -7.065 259 HB3 ASP 31 1HB ASP 31 -16.550 -1.129 -6.108 260 H LEU 32 H LEU 32 -13.402 -2.902 -6.354 261 HA LEU 32 HA LEU 32 -13.337 -2.714 -3.480 262 HB2 LEU 32 2HB LEU 32 -12.180 -4.786 -5.374 263 HB3 LEU 32 1HB LEU 32 -12.073 -4.905 -3.626 264 HG LEU 32 HG LEU 32 -14.634 -4.958 -5.273 265 HD11 LEU 32 1HD1 LEU 32 -13.332 -7.153 -3.633 266 HD12 LEU 32 2HD1 LEU 32 -13.355 -7.048 -5.394 267 HD13 LEU 32 3HD1 LEU 32 -14.862 -7.268 -4.511 268 HD21 LEU 32 1HD2 LEU 32 -15.065 -3.791 -3.171 269 HD22 LEU 32 2HD2 LEU 32 -14.333 -5.110 -2.254 270 HD23 LEU 32 3HD2 LEU 32 -15.827 -5.381 -3.158 271 H LEU 33 H LEU 33 -11.075 -1.939 -6.064 272 HA LEU 33 HA LEU 33 -8.784 -1.536 -4.445 273 HB2 LEU 33 2HB LEU 33 -9.685 -0.129 -6.982 274 HB3 LEU 33 1HB LEU 33 -8.163 0.245 -6.188 275 HG LEU 33 HG LEU 33 -8.906 -2.475 -7.342 276 HD11 LEU 33 1HD1 LEU 33 -6.951 -0.408 -8.378 277 HD12 LEU 33 2HD1 LEU 33 -8.532 -0.775 -9.071 278 HD13 LEU 33 3HD1 LEU 33 -7.269 -2.001 -9.073 279 HD21 LEU 33 1HD2 LEU 33 -6.297 -1.524 -6.115 280 HD22 LEU 33 2HD2 LEU 33 -6.550 -3.068 -6.935 281 HD23 LEU 33 3HD2 LEU 33 -7.404 -2.721 -5.438 282 H LEU 34 H LEU 34 -11.481 0.644 -5.331 283 HA LEU 34 HA LEU 34 -10.656 2.834 -3.701 284 HB2 LEU 34 2HB LEU 34 -13.373 2.131 -4.867 285 HB3 LEU 34 1HB LEU 34 -13.040 3.643 -4.036 286 HG LEU 34 HG LEU 34 -11.719 2.724 -6.625 287 HD11 LEU 34 1HD1 LEU 34 -14.067 3.344 -6.950 288 HD12 LEU 34 2HD1 LEU 34 -12.988 4.507 -7.710 289 HD13 LEU 34 3HD1 LEU 34 -13.778 4.909 -6.183 290 HD21 LEU 34 1HD2 LEU 34 -11.388 5.354 -5.135 291 HD22 LEU 34 2HD2 LEU 34 -10.716 4.970 -6.723 292 HD23 LEU 34 3HD2 LEU 34 -10.168 4.086 -5.303 293 H GLN 35 H GLN 35 -12.561 -0.047 -3.005 294 HA GLN 35 HA GLN 35 -13.753 0.845 -0.568 295 HB2 GLN 35 2HB GLN 35 -14.620 -1.093 -1.892 296 HB3 GLN 35 1HB GLN 35 -13.173 -2.006 -1.486 297 HG2 GLN 35 2HG GLN 35 -15.036 -2.726 -0.091 298 HG3 GLN 35 1HG GLN 35 -13.807 -1.952 0.908 299 HE21 GLN 35 1HE2 GLN 35 -15.274 -1.485 2.562 300 HE22 GLN 35 2HE2 GLN 35 -16.505 -0.281 2.412 301 H GLN 36 H GLN 36 -10.918 -1.227 -1.243 302 HA GLN 36 HA GLN 36 -10.070 -1.215 1.533 303 HB2 GLN 36 2HB GLN 36 -9.038 -2.560 -0.970 304 HB3 GLN 36 1HB GLN 36 -7.967 -2.404 0.408 305 HG2 GLN 36 2HG GLN 36 -8.789 -4.476 0.869 306 HG3 GLN 36 1HG GLN 36 -10.013 -3.539 1.704 307 HE21 GLN 36 1HE2 GLN 36 -11.477 -2.835 -0.766 308 HE22 GLN 36 2HE2 GLN 36 -12.217 -4.286 -1.312 309 H GLU 37 H GLU 37 -9.619 0.895 -1.138 310 HA GLU 37 HA GLU 37 -7.096 1.963 -0.967 311 HB2 GLU 37 2HB GLU 37 -8.838 2.701 -2.564 312 HB3 GLU 37 1HB GLU 37 -9.723 3.492 -1.276 313 HG2 GLU 37 2HG GLU 37 -6.964 4.489 -1.508 314 HG3 GLU 37 1HG GLU 37 -7.855 4.676 -3.010 315 H VAL 38 H VAL 38 -9.881 3.078 0.953 316 HA VAL 38 HA VAL 38 -8.501 4.936 2.535 317 HB VAL 38 HB VAL 38 -10.509 4.896 4.029 318 HG11 VAL 38 1HG1 VAL 38 -12.134 5.689 2.341 319 HG12 VAL 38 2HG1 VAL 38 -11.154 4.980 1.055 320 HG13 VAL 38 3HG1 VAL 38 -10.513 6.310 2.022 321 HG21 VAL 38 1HG2 VAL 38 -12.452 3.469 3.472 322 HG22 VAL 38 2HG2 VAL 38 -11.058 2.493 3.938 323 HG23 VAL 38 3HG2 VAL 38 -11.499 2.640 2.236 324 H SER 39 H SER 39 -9.100 1.492 3.020 325 HA SER 39 HA SER 39 -8.288 1.341 5.754 326 HB2 SER 39 2HB SER 39 -8.490 -0.841 3.630 327 HB3 SER 39 1HB SER 39 -8.387 -1.109 5.370 328 HG SER 39 HG SER 39 -10.365 0.250 5.453 329 H TYR 40 H TYR 40 -6.659 0.903 2.654 330 HA TYR 40 HA TYR 40 -4.267 -0.317 3.665 331 HB2 TYR 40 2HB TYR 40 -5.104 -0.724 1.366 332 HB3 TYR 40 1HB TYR 40 -4.859 0.969 0.961 333 HD1 TYR 40 HD1 TYR 40 -2.901 1.464 -0.258 334 HD2 TYR 40 HD2 TYR 40 -2.864 -1.932 2.325 335 HE1 TYR 40 HE1 TYR 40 -0.654 0.888 -1.053 336 HE2 TYR 40 HE2 TYR 40 -0.616 -2.500 1.533 337 HH TYR 40 HH TYR 40 1.297 -0.376 -0.328 338 H LEU 41 H LEU 41 -5.147 2.919 2.481 339 HA LEU 41 HA LEU 41 -2.601 4.091 2.915 340 HB2 LEU 41 2HB LEU 41 -5.337 5.408 2.662 341 HB3 LEU 41 1HB LEU 41 -3.812 6.276 2.663 342 HG LEU 41 HG LEU 41 -4.780 4.323 0.533 343 HD11 LEU 41 1HD1 LEU 41 -4.745 6.267 -0.969 344 HD12 LEU 41 2HD1 LEU 41 -4.265 7.310 0.373 345 HD13 LEU 41 3HD1 LEU 41 -5.843 6.519 0.388 346 HD21 LEU 41 1HD2 LEU 41 -2.098 5.740 0.692 347 HD22 LEU 41 2HD2 LEU 41 -2.705 4.845 -0.704 348 HD23 LEU 41 3HD2 LEU 41 -2.385 4.000 0.808 349 H GLN 42 H GLN 42 -5.566 3.855 4.937 350 HA GLN 42 HA GLN 42 -4.719 5.417 7.122 351 HB2 GLN 42 2HB GLN 42 -7.039 4.626 6.869 352 HB3 GLN 42 1HB GLN 42 -6.529 2.963 7.127 353 HG2 GLN 42 2HG GLN 42 -5.822 3.592 9.453 354 HG3 GLN 42 1HG GLN 42 -6.445 5.216 9.166 355 HE21 GLN 42 1HE2 GLN 42 -7.956 5.058 10.832 356 HE22 GLN 42 2HE2 GLN 42 -9.356 4.054 10.733 357 H SER 43 H SER 43 -4.283 1.913 6.505 358 HA SER 43 HA SER 43 -2.998 1.295 8.942 359 HB2 SER 43 2HB SER 43 -2.303 -0.822 7.766 360 HB3 SER 43 1HB SER 43 -4.025 -0.466 7.650 361 HG SER 43 HG SER 43 -2.128 0.157 5.630 362 H ILE 44 H ILE 44 -1.762 2.274 5.785 363 HA ILE 44 HA ILE 44 1.000 2.236 6.233 364 HB ILE 44 HB ILE 44 -0.827 3.863 4.437 365 HG12 ILE 44 2HG1 ILE 44 1.350 1.824 3.791 366 HG13 ILE 44 1HG1 ILE 44 -0.369 1.472 3.889 367 HG21 ILE 44 1HG2 ILE 44 2.170 4.271 4.536 368 HG22 ILE 44 2HG2 ILE 44 0.930 5.468 4.915 369 HG23 ILE 44 3HG2 ILE 44 1.105 4.871 3.264 370 HD11 ILE 44 1HD1 ILE 44 0.361 1.634 1.595 371 HD12 ILE 44 2HD1 ILE 44 0.956 3.272 1.859 372 HD13 ILE 44 3HD1 ILE 44 -0.776 2.932 1.963 373 H GLU 45 H GLU 45 -1.388 4.830 6.945 374 HA GLU 45 HA GLU 45 0.486 6.782 7.775 375 HB2 GLU 45 2HB GLU 45 -2.437 6.562 8.606 376 HB3 GLU 45 1HB GLU 45 -1.437 8.003 8.737 377 HG2 GLU 45 2HG GLU 45 -2.303 6.666 6.169 378 HG3 GLU 45 1HG GLU 45 -2.995 8.124 6.844 379 H THR 46 H THR 46 -1.510 4.477 9.682 380 HA THR 46 HA THR 46 -0.608 5.392 12.209 381 HB THR 46 HB THR 46 -2.696 4.212 12.193 382 HG1 THR 46 HG1 THR 46 -1.033 3.800 13.965 383 HG21 THR 46 1HG2 THR 46 -2.927 1.815 11.689 384 HG22 THR 46 2HG2 THR 46 -1.232 1.751 11.203 385 HG23 THR 46 3HG2 THR 46 -2.380 2.719 10.275 386 H VAL 47 H VAL 47 0.639 2.776 10.064 387 HA VAL 47 HA VAL 47 2.449 1.793 12.081 388 HB VAL 47 HB VAL 47 1.518 0.483 10.031 389 HG11 VAL 47 1HG1 VAL 47 2.251 1.998 8.249 390 HG12 VAL 47 2HG1 VAL 47 2.963 0.398 8.037 391 HG13 VAL 47 3HG1 VAL 47 3.940 1.718 8.681 392 HG21 VAL 47 1HG2 VAL 47 3.064 -0.495 11.662 393 HG22 VAL 47 2HG2 VAL 47 4.442 0.190 10.791 394 HG23 VAL 47 3HG2 VAL 47 3.447 -1.051 10.028 395 H MET 48 H MET 48 2.694 4.170 9.484 396 HA MET 48 HA MET 48 5.562 4.509 9.690 397 HB2 MET 48 2HB MET 48 4.322 4.850 7.557 398 HB3 MET 48 1HB MET 48 3.483 6.222 8.263 399 HG2 MET 48 2HG MET 48 5.529 7.498 8.371 400 HG3 MET 48 1HG MET 48 6.489 6.089 7.918 401 HE1 MET 48 1HE MET 48 4.806 4.773 5.529 402 HE2 MET 48 2HE MET 48 6.554 5.032 5.529 403 HE3 MET 48 3HE MET 48 5.579 5.585 4.165 404 H GLU 49 H GLU 49 2.740 5.839 11.240 405 HA GLU 49 HA GLU 49 4.073 8.099 12.472 406 HB2 GLU 49 2HB GLU 49 1.629 8.101 12.099 407 HB3 GLU 49 1HB GLU 49 1.442 6.698 13.147 408 HG2 GLU 49 2HG GLU 49 2.320 8.085 15.058 409 HG3 GLU 49 1HG GLU 49 2.335 9.483 13.983 410 H LYS 50 H LYS 50 3.350 4.736 13.318 411 HA LYS 50 HA LYS 50 4.914 5.032 15.824 412 HB2 LYS 50 2HB LYS 50 2.462 3.262 15.424 413 HB3 LYS 50 1HB LYS 50 3.445 3.332 16.877 414 HG2 LYS 50 2HG LYS 50 1.710 5.555 15.762 415 HG3 LYS 50 1HG LYS 50 1.379 4.584 17.194 416 HD2 LYS 50 2HD LYS 50 3.672 6.556 16.863 417 HD3 LYS 50 1HD LYS 50 2.196 6.834 17.785 418 HE2 LYS 50 2HE LYS 50 4.335 4.769 18.413 419 HE3 LYS 50 1HE LYS 50 4.052 6.273 19.283 420 HZ1 LYS 50 1HZ LYS 50 2.211 3.950 19.133 421 HZ2 LYS 50 2HZ LYS 50 1.826 5.422 19.858 422 HZ3 LYS 50 3HZ LYS 50 3.078 4.477 20.486 423 H GLN 51 H GLN 51 6.720 4.436 14.675 424 HA GLN 51 HA GLN 51 6.909 1.657 13.688 425 HB2 GLN 51 2HB GLN 51 9.394 3.209 13.334 426 HB3 GLN 51 1HB GLN 51 8.409 2.396 12.134 427 HG2 GLN 51 2HG GLN 51 8.490 4.640 11.419 428 HG3 GLN 51 1HG GLN 51 6.899 4.476 12.166 429 HE21 GLN 51 1HE2 GLN 51 6.636 6.612 12.738 430 HE22 GLN 51 2HE2 GLN 51 7.629 7.444 13.878 431 H THR 52 H THR 52 8.725 0.343 14.439 432 HA THR 52 HA THR 52 9.550 0.774 17.196 433 HB THR 52 HB THR 52 10.850 -1.378 16.839 434 HG1 THR 52 HG1 THR 52 11.258 -1.441 14.682 435 HG21 THR 52 1HG2 THR 52 8.900 -2.872 16.698 436 HG22 THR 52 2HG2 THR 52 7.916 -1.553 16.060 437 HG23 THR 52 3HG2 THR 52 8.531 -1.476 17.714 438 HA PRO 53 HA PRO 53 13.521 2.770 16.169 439 HB2 PRO 53 2HB PRO 53 14.721 1.102 18.371 440 HB3 PRO 53 1HB PRO 53 14.702 2.869 18.179 441 HG2 PRO 53 2HG PRO 53 13.149 1.731 19.997 442 HG3 PRO 53 1HG PRO 53 12.518 3.075 19.012 443 HD2 PRO 53 2HD PRO 53 12.062 0.106 18.660 444 HD3 PRO 53 1HD PRO 53 10.881 1.439 18.616 445 HA PRO 54 HA PRO 54 16.165 0.149 13.522 446 HB2 PRO 54 2HB PRO 54 18.355 1.395 15.214 447 HB3 PRO 54 1HB PRO 54 18.304 1.134 13.453 448 HG2 PRO 54 2HG PRO 54 17.776 3.539 14.409 449 HG3 PRO 54 1HG PRO 54 16.779 2.878 13.091 450 HD2 PRO 54 2HD PRO 54 16.104 3.194 15.993 451 HD3 PRO 54 1HD PRO 54 15.046 3.300 14.566 452 H GLY 55 H GLY 55 17.166 0.292 16.947 453 HA2 GLY 55 2HA GLY 55 18.216 -2.345 17.119 454 HA3 GLY 55 1HA GLY 55 17.733 -1.327 18.467 455 H ILE 56 H ILE 56 16.490 -3.468 15.967 456 HA ILE 56 HA ILE 56 14.191 -4.285 17.651 457 HB ILE 56 HB ILE 56 13.451 -2.885 15.717 458 HG12 ILE 56 2HG1 ILE 56 11.809 -4.524 14.678 459 HG13 ILE 56 1HG1 ILE 56 12.660 -5.821 15.507 460 HG21 ILE 56 1HG2 ILE 56 14.694 -4.986 13.916 461 HG22 ILE 56 2HG2 ILE 56 15.273 -3.335 14.135 462 HG23 ILE 56 3HG2 ILE 56 13.704 -3.625 13.381 463 HD11 ILE 56 1HD1 ILE 56 11.288 -3.507 16.876 464 HD12 ILE 56 2HD1 ILE 56 12.022 -4.912 17.658 465 HD13 ILE 56 3HD1 ILE 56 10.597 -5.110 16.634 466 H THR 57 H THR 57 13.829 -6.557 17.709 467 HA THR 57 HA THR 57 16.112 -8.219 17.328 468 HB THR 57 HB THR 57 14.498 -8.647 19.150 469 HG1 THR 57 HG1 THR 57 15.544 -10.480 18.836 470 HG21 THR 57 1HG2 THR 57 12.584 -9.573 16.979 471 HG22 THR 57 2HG2 THR 57 12.379 -8.146 17.997 472 HG23 THR 57 3HG2 THR 57 12.335 -9.757 18.718 473 H ARG 58 H ARG 58 16.327 -10.136 15.991 474 HA ARG 58 HA ARG 58 15.803 -9.579 13.270 475 HB2 ARG 58 2HB ARG 58 16.744 -12.216 14.472 476 HB3 ARG 58 1HB ARG 58 16.797 -11.801 12.761 477 HG2 ARG 58 2HG ARG 58 18.341 -9.854 13.432 478 HG3 ARG 58 1HG ARG 58 18.441 -10.625 15.017 479 HD2 ARG 58 2HD ARG 58 20.357 -11.351 13.769 480 HD3 ARG 58 1HD ARG 58 19.251 -12.726 13.838 481 HE ARG 58 HE ARG 58 19.730 -10.995 11.477 482 HH11 ARG 58 1HH1 ARG 58 18.553 -14.074 12.760 483 HH12 ARG 58 2HH1 ARG 58 18.340 -14.775 11.185 484 HH21 ARG 58 1HH2 ARG 58 19.421 -11.935 9.430 485 HH22 ARG 58 2HH2 ARG 58 18.831 -13.563 9.310 486 H SER 59 H SER 59 13.967 -11.420 15.619 487 HA SER 59 HA SER 59 12.452 -13.039 13.864 488 HB2 SER 59 2HB SER 59 11.639 -11.886 16.567 489 HB3 SER 59 1HB SER 59 10.875 -13.256 15.760 490 HG SER 59 HG SER 59 12.905 -14.336 15.906 491 H ILE 60 H ILE 60 11.533 -9.968 15.483 492 HA ILE 60 HA ILE 60 9.158 -9.479 14.050 493 HB ILE 60 HB ILE 60 10.993 -7.467 15.437 494 HG12 ILE 60 2HG1 ILE 60 8.465 -8.825 16.482 495 HG13 ILE 60 1HG1 ILE 60 10.108 -9.246 16.955 496 HG21 ILE 60 1HG2 ILE 60 9.040 -5.940 15.507 497 HG22 ILE 60 2HG2 ILE 60 8.102 -7.093 14.560 498 HG23 ILE 60 3HG2 ILE 60 9.508 -6.306 13.845 499 HD11 ILE 60 1HD1 ILE 60 10.392 -7.011 17.925 500 HD12 ILE 60 2HD1 ILE 60 9.046 -7.891 18.646 501 HD13 ILE 60 3HD1 ILE 60 8.731 -6.610 17.476 502 H GLN 61 H GLN 61 12.473 -8.249 13.621 503 HA GLN 61 HA GLN 61 12.093 -6.507 11.497 504 HB2 GLN 61 2HB GLN 61 14.163 -6.496 12.735 505 HB3 GLN 61 1HB GLN 61 14.522 -8.158 12.286 506 HG2 GLN 61 2HG GLN 61 14.905 -7.485 9.963 507 HG3 GLN 61 1HG GLN 61 14.429 -5.828 10.341 508 HE21 GLN 61 1HE2 GLN 61 15.870 -4.500 11.422 509 HE22 GLN 61 2HE2 GLN 61 17.526 -4.920 11.665 510 H ASP 62 H ASP 62 12.787 -10.032 11.380 511 HA ASP 62 HA ASP 62 13.036 -10.168 8.525 512 HB2 ASP 62 2HB ASP 62 14.090 -11.880 9.935 513 HB3 ASP 62 1HB ASP 62 12.528 -12.381 10.570 514 H MET 63 H MET 63 10.364 -11.002 10.786 515 HA MET 63 HA MET 63 8.559 -11.951 8.826 516 HB2 MET 63 2HB MET 63 7.994 -10.770 11.575 517 HB3 MET 63 1HB MET 63 6.771 -11.539 10.570 518 HG2 MET 63 2HG MET 63 8.060 -13.652 10.639 519 HG3 MET 63 1HG MET 63 9.246 -12.877 11.687 520 HE1 MET 63 1HE MET 63 7.483 -11.129 13.699 521 HE2 MET 63 2HE MET 63 8.781 -12.203 14.232 522 HE3 MET 63 3HE MET 63 7.188 -12.303 14.982 523 H VAL 64 H VAL 64 8.887 -8.772 10.326 524 HA VAL 64 HA VAL 64 6.950 -7.391 8.832 525 HB VAL 64 HB VAL 64 9.360 -6.472 10.447 526 HG11 VAL 64 1HG1 VAL 64 8.522 -4.146 10.297 527 HG12 VAL 64 2HG1 VAL 64 7.344 -4.661 9.090 528 HG13 VAL 64 3HG1 VAL 64 9.068 -4.761 8.734 529 HG21 VAL 64 1HG2 VAL 64 7.452 -7.417 11.710 530 HG22 VAL 64 2HG2 VAL 64 6.373 -6.228 10.976 531 HG23 VAL 64 3HG2 VAL 64 7.663 -5.699 12.061 532 H ALA 65 H ALA 65 10.415 -8.042 8.188 533 HA ALA 65 HA ALA 65 10.646 -6.316 5.916 534 HB1 ALA 65 1HB ALA 65 12.718 -7.535 5.398 535 HB2 ALA 65 2HB ALA 65 12.302 -8.780 6.585 536 HB3 ALA 65 3HB ALA 65 12.636 -7.128 7.110 537 H GLY 66 H GLY 66 9.498 -9.601 6.356 538 HA2 GLY 66 2HA GLY 66 9.207 -10.312 3.603 539 HA3 GLY 66 1HA GLY 66 8.348 -11.029 4.970 540 H TYR 67 H TYR 67 7.047 -8.865 6.036 541 HA TYR 67 HA TYR 67 4.781 -8.490 4.359 542 HB2 TYR 67 2HB TYR 67 5.586 -7.003 6.888 543 HB3 TYR 67 1HB TYR 67 3.988 -6.949 6.150 544 HD1 TYR 67 HD1 TYR 67 4.988 -7.869 9.037 545 HD2 TYR 67 HD2 TYR 67 3.737 -9.969 5.524 546 HE1 TYR 67 HE1 TYR 67 4.256 -9.757 10.426 547 HE2 TYR 67 HE2 TYR 67 3.008 -11.857 6.920 548 HH TYR 67 HH TYR 67 3.436 -12.809 9.117 549 H ILE 68 H ILE 68 7.684 -6.669 4.895 550 HA ILE 68 HA ILE 68 6.837 -4.183 3.734 551 HB ILE 68 HB ILE 68 9.447 -5.267 4.811 552 HG12 ILE 68 2HG1 ILE 68 7.807 -2.766 5.401 553 HG13 ILE 68 1HG1 ILE 68 7.878 -4.222 6.381 554 HG21 ILE 68 1HG2 ILE 68 9.355 -2.733 3.154 555 HG22 ILE 68 2HG2 ILE 68 10.215 -4.217 2.740 556 HG23 ILE 68 3HG2 ILE 68 10.719 -3.268 4.138 557 HD11 ILE 68 1HD1 ILE 68 10.105 -2.241 5.940 558 HD12 ILE 68 2HD1 ILE 68 10.254 -3.746 6.850 559 HD13 ILE 68 3HD1 ILE 68 9.158 -2.483 7.409 560 H LYS 69 H LYS 69 8.655 -7.049 2.672 561 HA LYS 69 HA LYS 69 9.182 -6.227 0.029 562 HB2 LYS 69 2HB LYS 69 10.220 -8.234 1.135 563 HB3 LYS 69 1HB LYS 69 8.685 -9.077 1.026 564 HG2 LYS 69 2HG LYS 69 10.074 -8.043 -1.462 565 HG3 LYS 69 1HG LYS 69 10.534 -9.583 -0.738 566 HD2 LYS 69 2HD LYS 69 8.294 -10.481 -1.095 567 HD3 LYS 69 1HD LYS 69 7.709 -8.916 -1.663 568 HE2 LYS 69 2HE LYS 69 8.125 -10.491 -3.524 569 HE3 LYS 69 1HE LYS 69 9.151 -9.060 -3.635 570 HZ1 LYS 69 1HZ LYS 69 10.973 -10.344 -2.699 571 HZ2 LYS 69 2HZ LYS 69 10.391 -11.095 -4.092 572 HZ3 LYS 69 3HZ LYS 69 9.987 -11.710 -2.571 573 H GLN 70 H GLN 70 6.414 -7.886 1.521 574 HA GLN 70 HA GLN 70 4.898 -8.381 -0.784 575 HB2 GLN 70 2HB GLN 70 4.063 -7.972 2.110 576 HB3 GLN 70 1HB GLN 70 2.912 -8.411 0.854 577 HG2 GLN 70 2HG GLN 70 5.356 -10.082 1.498 578 HG3 GLN 70 1HG GLN 70 3.800 -10.307 2.292 579 HE21 GLN 70 1HE2 GLN 70 3.666 -12.437 1.493 580 HE22 GLN 70 2HE2 GLN 70 3.282 -12.776 -0.155 581 H THR 71 H THR 71 4.645 -5.639 1.542 582 HA THR 71 HA THR 71 2.571 -4.358 0.150 583 HB THR 71 HB THR 71 2.927 -3.819 2.488 584 HG1 THR 71 HG1 THR 71 2.386 -2.104 0.614 585 HG21 THR 71 1HG2 THR 71 5.479 -2.404 1.658 586 HG22 THR 71 2HG2 THR 71 5.380 -3.869 2.638 587 HG23 THR 71 3HG2 THR 71 4.735 -2.347 3.257 588 H LEU 72 H LEU 72 6.131 -3.779 0.004 589 HA LEU 72 HA LEU 72 5.928 -1.556 -1.763 590 HB2 LEU 72 2HB LEU 72 8.243 -3.381 -1.036 591 HB3 LEU 72 1HB LEU 72 8.433 -2.041 -2.156 592 HG LEU 72 HG LEU 72 7.517 -1.729 0.733 593 HD11 LEU 72 1HD1 LEU 72 9.828 -2.504 0.680 594 HD12 LEU 72 2HD1 LEU 72 9.759 -0.818 1.184 595 HD13 LEU 72 3HD1 LEU 72 10.264 -1.228 -0.459 596 HD21 LEU 72 1HD2 LEU 72 7.926 0.677 0.348 597 HD22 LEU 72 2HD2 LEU 72 6.665 0.050 -0.703 598 HD23 LEU 72 3HD2 LEU 72 8.282 0.349 -1.350 599 H ASP 73 H ASP 73 6.320 -5.041 -2.402 600 HA ASP 73 HA ASP 73 7.043 -4.746 -5.178 601 HB2 ASP 73 2HB ASP 73 7.619 -6.745 -3.657 602 HB3 ASP 73 1HB ASP 73 5.948 -7.263 -3.829 603 H ASN 74 H ASN 74 4.111 -5.866 -3.484 604 HA ASN 74 HA ASN 74 2.489 -6.163 -5.787 605 HB2 ASN 74 2HB ASN 74 1.843 -5.943 -2.823 606 HB3 ASN 74 1HB ASN 74 0.575 -6.113 -4.026 607 HD21 ASN 74 1HD2 ASN 74 3.279 -7.760 -2.491 608 HD22 ASN 74 2HD2 ASN 74 2.849 -9.340 -2.995 609 H GLU 75 H GLU 75 3.074 -3.403 -3.611 610 HA GLU 75 HA GLU 75 1.073 -1.689 -4.764 611 HB2 GLU 75 2HB GLU 75 1.898 -1.338 -2.465 612 HB3 GLU 75 1HB GLU 75 3.508 -0.985 -3.078 613 HG2 GLU 75 2HG GLU 75 2.488 0.993 -4.307 614 HG3 GLU 75 1HG GLU 75 0.994 0.669 -3.430 615 H GLN 76 H GLN 76 4.503 -2.309 -5.427 616 HA GLN 76 HA GLN 76 4.995 -0.151 -7.210 617 HB2 GLN 76 2HB GLN 76 6.805 -1.571 -6.239 618 HB3 GLN 76 1HB GLN 76 6.239 -2.945 -7.183 619 HG2 GLN 76 2HG GLN 76 6.761 -1.626 -9.270 620 HG3 GLN 76 1HG GLN 76 7.478 -0.384 -8.245 621 HE21 GLN 76 1HE2 GLN 76 7.794 -3.668 -9.413 622 HE22 GLN 76 2HE2 GLN 76 9.461 -3.860 -8.996 623 H LEU 77 H LEU 77 3.765 -3.432 -7.657 624 HA LEU 77 HA LEU 77 3.375 -3.273 -10.486 625 HB2 LEU 77 2HB LEU 77 2.345 -5.143 -8.335 626 HB3 LEU 77 1HB LEU 77 1.890 -5.333 -10.021 627 HG LEU 77 HG LEU 77 4.762 -5.433 -8.999 628 HD11 LEU 77 1HD1 LEU 77 4.665 -7.848 -9.398 629 HD12 LEU 77 2HD1 LEU 77 2.953 -7.727 -9.817 630 HD13 LEU 77 3HD1 LEU 77 3.491 -7.358 -8.177 631 HD21 LEU 77 1HD2 LEU 77 3.582 -5.996 -11.744 632 HD22 LEU 77 2HD2 LEU 77 5.259 -6.317 -11.268 633 HD23 LEU 77 3HD2 LEU 77 4.658 -4.662 -11.298 634 H LEU 78 H LEU 78 1.228 -2.733 -7.667 635 HA LEU 78 HA LEU 78 -1.131 -1.980 -8.989 636 HB2 LEU 78 2HB LEU 78 0.098 -1.113 -6.348 637 HB3 LEU 78 1HB LEU 78 -1.395 -0.377 -6.896 638 HG LEU 78 HG LEU 78 -1.072 -3.373 -6.462 639 HD11 LEU 78 1HD1 LEU 78 -0.800 -2.156 -4.324 640 HD12 LEU 78 2HD1 LEU 78 -2.279 -3.114 -4.368 641 HD13 LEU 78 3HD1 LEU 78 -2.357 -1.359 -4.585 642 HD21 LEU 78 1HD2 LEU 78 -3.527 -1.644 -6.911 643 HD22 LEU 78 2HD2 LEU 78 -3.532 -3.374 -6.563 644 HD23 LEU 78 3HD2 LEU 78 -2.822 -2.785 -8.060 645 H LYS 79 H LYS 79 1.785 -0.177 -8.268 646 HA LYS 79 HA LYS 79 0.902 2.428 -8.841 647 HB2 LYS 79 2HB LYS 79 3.001 1.635 -7.538 648 HB3 LYS 79 1HB LYS 79 3.767 1.404 -9.104 649 HG2 LYS 79 2HG LYS 79 4.449 3.513 -8.152 650 HG3 LYS 79 1HG LYS 79 3.445 3.821 -9.576 651 HD2 LYS 79 2HD LYS 79 1.560 4.456 -8.234 652 HD3 LYS 79 1HD LYS 79 2.294 3.812 -6.758 653 HE2 LYS 79 2HE LYS 79 3.303 6.196 -8.338 654 HE3 LYS 79 1HE LYS 79 2.407 6.261 -6.823 655 HZ1 LYS 79 1HZ LYS 79 5.022 4.911 -7.139 656 HZ2 LYS 79 2HZ LYS 79 4.193 5.168 -5.695 657 HZ3 LYS 79 3HZ LYS 79 4.837 6.478 -6.548 658 H GLY 80 H GLY 80 2.770 0.068 -10.719 659 HA2 GLY 80 2HA GLY 80 3.065 1.497 -13.107 660 HA3 GLY 80 1HA GLY 80 3.151 -0.250 -12.936 661 H LEU 81 H LEU 81 0.726 -1.081 -12.307 662 HA LEU 81 HA LEU 81 -0.694 -1.146 -14.697 663 HB2 LEU 81 2HB LEU 81 -0.788 -2.895 -12.998 664 HB3 LEU 81 1HB LEU 81 -1.583 -1.826 -11.864 665 HG LEU 81 HG LEU 81 -2.980 -2.479 -14.487 666 HD11 LEU 81 1HD1 LEU 81 -2.298 -4.670 -13.636 667 HD12 LEU 81 2HD1 LEU 81 -4.040 -4.452 -13.507 668 HD13 LEU 81 3HD1 LEU 81 -3.025 -4.309 -12.068 669 HD21 LEU 81 1HD2 LEU 81 -4.030 -0.796 -13.051 670 HD22 LEU 81 2HD2 LEU 81 -4.042 -1.921 -11.695 671 HD23 LEU 81 3HD2 LEU 81 -5.032 -2.245 -13.121 672 H LEU 82 H LEU 82 -1.559 0.550 -11.680 673 HA LEU 82 HA LEU 82 -3.958 1.679 -12.655 674 HB2 LEU 82 2HB LEU 82 -2.242 2.253 -10.225 675 HB3 LEU 82 1HB LEU 82 -3.747 3.115 -10.517 676 HG LEU 82 HG LEU 82 -3.671 0.072 -10.371 677 HD11 LEU 82 1HD1 LEU 82 -4.360 0.176 -8.038 678 HD12 LEU 82 2HD1 LEU 82 -4.199 1.937 -8.037 679 HD13 LEU 82 3HD1 LEU 82 -2.772 0.917 -8.244 680 HD21 LEU 82 1HD2 LEU 82 -5.636 1.060 -11.424 681 HD22 LEU 82 2HD2 LEU 82 -5.905 2.086 -10.009 682 HD23 LEU 82 3HD2 LEU 82 -6.053 0.332 -9.876 683 H GLN 83 H GLN 83 -0.628 2.948 -12.542 684 HA GLN 83 HA GLN 83 -1.230 5.593 -13.343 685 HB2 GLN 83 2HB GLN 83 0.983 4.989 -12.471 686 HB3 GLN 83 1HB GLN 83 1.288 3.940 -13.843 687 HG2 GLN 83 2HG GLN 83 0.794 6.896 -14.272 688 HG3 GLN 83 1HG GLN 83 2.379 6.335 -13.758 689 HE21 GLN 83 1HE2 GLN 83 1.297 7.561 -16.329 690 HE22 GLN 83 2HE2 GLN 83 1.890 6.515 -17.569 691 H GLN 84 H GLN 84 -0.426 2.673 -15.260 692 HA GLN 84 HA GLN 84 -0.603 3.883 -17.829 693 HB2 GLN 84 2HB GLN 84 -0.910 0.960 -17.045 694 HB3 GLN 84 1HB GLN 84 -0.710 1.540 -18.697 695 HG2 GLN 84 2HG GLN 84 1.527 2.376 -18.161 696 HG3 GLN 84 1HG GLN 84 1.327 1.889 -16.479 697 HE21 GLN 84 1HE2 GLN 84 0.319 -0.015 -19.301 698 HE22 GLN 84 2HE2 GLN 84 1.449 -1.293 -19.047 699 H ARG 85 H ARG 85 -3.016 2.330 -15.767 700 HA ARG 85 HA ARG 85 -5.032 2.063 -17.787 701 HB2 ARG 85 2HB ARG 85 -5.240 1.915 -14.745 702 HB3 ARG 85 1HB ARG 85 -6.582 1.592 -15.836 703 HG2 ARG 85 2HG ARG 85 -3.995 0.014 -15.704 704 HG3 ARG 85 1HG ARG 85 -5.544 -0.488 -15.035 705 HD2 ARG 85 2HD ARG 85 -4.926 -0.065 -17.978 706 HD3 ARG 85 1HD ARG 85 -5.078 -1.619 -17.158 707 HE ARG 85 HE ARG 85 -7.322 0.300 -17.445 708 HH11 ARG 85 1HH1 ARG 85 -6.155 -3.029 -17.540 709 HH12 ARG 85 2HH1 ARG 85 -7.720 -3.687 -17.890 710 HH21 ARG 85 1HH2 ARG 85 -9.366 -0.587 -17.911 711 HH22 ARG 85 2HH2 ARG 85 -9.535 -2.304 -18.101 712 H LEU 86 H LEU 86 -4.533 4.376 -15.065 713 HA LEU 86 HA LEU 86 -6.740 6.058 -15.652 714 HB2 LEU 86 2HB LEU 86 -4.118 6.643 -14.223 715 HB3 LEU 86 1HB LEU 86 -5.429 7.807 -14.323 716 HG LEU 86 HG LEU 86 -5.655 5.077 -12.987 717 HD11 LEU 86 1HD1 LEU 86 -5.586 6.263 -10.858 718 HD12 LEU 86 2HD1 LEU 86 -5.343 7.803 -11.684 719 HD13 LEU 86 3HD1 LEU 86 -4.105 6.544 -11.768 720 HD21 LEU 86 1HD2 LEU 86 -7.603 7.413 -13.040 721 HD22 LEU 86 2HD2 LEU 86 -7.782 5.945 -12.077 722 HD23 LEU 86 3HD2 LEU 86 -7.812 5.847 -13.834 723 H ASP 87 H ASP 87 -3.454 5.941 -16.887 724 HA ASP 87 HA ASP 87 -3.291 8.322 -18.357 725 HB2 ASP 87 2HB ASP 87 -1.404 6.706 -17.946 726 HB3 ASP 87 1HB ASP 87 -2.156 5.564 -19.045 727 H GLU 88 H GLU 88 -4.282 5.061 -19.424 728 HA GLU 88 HA GLU 88 -5.209 5.668 -21.992 729 HB2 GLU 88 2HB GLU 88 -6.127 3.499 -20.064 730 HB3 GLU 88 1HB GLU 88 -6.572 3.552 -21.767 731 HG2 GLU 88 2HG GLU 88 -4.228 3.276 -22.423 732 HG3 GLU 88 1HG GLU 88 -3.727 3.321 -20.732 733 H LEU 89 H LEU 89 -7.000 5.509 -18.905 734 HA LEU 89 HA LEU 89 -9.584 5.883 -19.878 735 HB2 LEU 89 2HB LEU 89 -8.417 6.547 -17.139 736 HB3 LEU 89 1HB LEU 89 -10.134 6.635 -17.499 737 HG LEU 89 HG LEU 89 -8.437 4.107 -17.603 738 HD11 LEU 89 1HD1 LEU 89 -8.816 4.848 -15.308 739 HD12 LEU 89 2HD1 LEU 89 -9.714 3.372 -15.646 740 HD13 LEU 89 3HD1 LEU 89 -10.558 4.922 -15.595 741 HD21 LEU 89 1HD2 LEU 89 -10.547 2.905 -17.977 742 HD22 LEU 89 2HD2 LEU 89 -10.196 4.026 -19.290 743 HD23 LEU 89 3HD2 LEU 89 -11.414 4.440 -18.081 744 H SER 90 H SER 90 -7.238 8.313 -18.718 745 HA SER 90 HA SER 90 -8.917 10.582 -19.063 746 HB2 SER 90 2HB SER 90 -5.874 10.411 -19.039 747 HB3 SER 90 1HB SER 90 -6.816 11.889 -18.859 748 HG SER 90 HG SER 90 -6.236 9.960 -17.020 749 H SER 91 H SER 91 -6.636 8.892 -21.217 750 HA SER 91 HA SER 91 -6.858 10.669 -23.435 751 HB2 SER 91 2HB SER 91 -5.031 8.992 -23.169 752 HB3 SER 91 1HB SER 91 -6.190 7.695 -23.449 753 HG SER 91 HG SER 91 -5.504 8.010 -25.438 754 H LEU 92 H LEU 92 -8.888 7.979 -22.305 755 HA LEU 92 HA LEU 92 -10.444 7.668 -24.708 756 HB2 LEU 92 2HB LEU 92 -11.196 6.845 -21.867 757 HB3 LEU 92 1HB LEU 92 -11.961 6.280 -23.341 758 HG LEU 92 HG LEU 92 -9.173 5.609 -22.357 759 HD11 LEU 92 1HD1 LEU 92 -10.912 4.376 -21.211 760 HD12 LEU 92 2HD1 LEU 92 -9.982 3.302 -22.251 761 HD13 LEU 92 3HD1 LEU 92 -11.590 3.838 -22.749 762 HD21 LEU 92 1HD2 LEU 92 -8.921 4.169 -24.331 763 HD22 LEU 92 2HD2 LEU 92 -9.027 5.874 -24.753 764 HD23 LEU 92 3HD2 LEU 92 -10.423 4.818 -24.994 765 H ILE 93 H ILE 93 -10.748 9.481 -21.720 766 HA ILE 93 HA ILE 93 -13.386 10.530 -22.175 767 HB ILE 93 HB ILE 93 -11.176 11.347 -20.221 768 HG12 ILE 93 2HG1 ILE 93 -13.715 9.755 -19.643 769 HG13 ILE 93 1HG1 ILE 93 -12.184 8.991 -20.043 770 HG21 ILE 93 1HG2 ILE 93 -14.097 12.201 -20.186 771 HG22 ILE 93 2HG2 ILE 93 -12.721 13.248 -20.538 772 HG23 ILE 93 3HG2 ILE 93 -12.908 12.550 -18.929 773 HD11 ILE 93 1HD1 ILE 93 -12.726 10.725 -17.639 774 HD12 ILE 93 2HD1 ILE 93 -11.166 10.009 -18.062 775 HD13 ILE 93 3HD1 ILE 93 -12.536 8.971 -17.672 776 H GLY 94 H GLY 94 -10.080 11.576 -22.861 777 HA2 GLY 94 2HA GLY 94 -10.829 13.125 -25.076 778 HA3 GLY 94 1HA GLY 94 -10.612 14.224 -23.716 779 H GLN 95 H GLN 95 -8.535 14.173 -22.604 780 HA GLN 95 HA GLN 95 -6.247 13.267 -24.231 781 HB2 GLN 95 2HB GLN 95 -6.645 15.644 -24.809 782 HB3 GLN 95 1HB GLN 95 -6.653 16.084 -23.107 783 HG2 GLN 95 2HG GLN 95 -4.533 16.735 -24.098 784 HG3 GLN 95 1HG GLN 95 -4.259 15.434 -22.939 785 HE21 GLN 95 1HE2 GLN 95 -2.321 14.784 -23.873 786 HE22 GLN 95 2HE2 GLN 95 -2.235 14.016 -25.416 787 H VAL 96 H VAL 96 -4.920 12.118 -22.959 788 HA VAL 96 HA VAL 96 -4.768 12.494 -20.091 789 HB VAL 96 HB VAL 96 -4.399 10.237 -20.877 790 HG11 VAL 96 1HG1 VAL 96 -3.586 10.635 -23.143 791 HG12 VAL 96 2HG1 VAL 96 -2.491 9.552 -22.284 792 HG13 VAL 96 3HG1 VAL 96 -2.054 11.247 -22.515 793 HG21 VAL 96 1HG2 VAL 96 -3.159 10.898 -18.867 794 HG22 VAL 96 2HG2 VAL 96 -1.788 11.417 -19.851 795 HG23 VAL 96 3HG2 VAL 96 -2.233 9.710 -19.787 796 H LEU 97 H LEU 97 -3.616 14.049 -19.190 797 HA LEU 97 HA LEU 97 -1.648 15.607 -20.662 798 HB2 LEU 97 2HB LEU 97 -3.359 16.644 -19.127 799 HB3 LEU 97 1HB LEU 97 -2.565 15.867 -17.768 800 HG LEU 97 HG LEU 97 -0.533 17.213 -18.138 801 HD11 LEU 97 1HD1 LEU 97 -0.567 17.425 -20.562 802 HD12 LEU 97 2HD1 LEU 97 -0.463 19.017 -19.815 803 HD13 LEU 97 3HD1 LEU 97 -1.999 18.458 -20.484 804 HD21 LEU 97 1HD2 LEU 97 -1.419 19.425 -17.550 805 HD22 LEU 97 2HD2 LEU 97 -2.263 18.144 -16.685 806 HD23 LEU 97 3HD2 LEU 97 -3.034 18.928 -18.067 807 H PHE 98 H PHE 98 0.519 15.904 -19.925 808 HA PHE 98 HA PHE 98 2.008 13.615 -19.498 809 HB2 PHE 98 2HB PHE 98 2.866 16.465 -18.830 810 HB3 PHE 98 1HB PHE 98 3.941 15.113 -19.176 811 HD1 PHE 98 HD1 PHE 98 2.113 17.873 -20.604 812 HD2 PHE 98 HD2 PHE 98 3.796 14.047 -21.543 813 HE1 PHE 98 HE1 PHE 98 2.067 18.436 -22.996 814 HE2 PHE 98 HE2 PHE 98 3.745 14.624 -23.939 815 HZ PHE 98 HZ PHE 98 2.873 16.817 -24.663 816 H GLN 99 H GLN 99 2.713 12.495 -17.726 817 HA GLN 99 HA GLN 99 1.221 12.627 -15.366 818 HB2 GLN 99 2HB GLN 99 2.700 10.847 -14.484 819 HB3 GLN 99 1HB GLN 99 2.151 10.516 -16.117 820 HG2 GLN 99 2HG GLN 99 4.320 11.126 -17.032 821 HG3 GLN 99 1HG GLN 99 4.886 11.636 -15.446 822 HE21 GLN 99 1HE2 GLN 99 2.997 8.692 -16.060 823 HE22 GLN 99 2HE2 GLN 99 4.268 7.601 -15.641 824 H GLY 100 H GLY 100 1.669 13.173 -13.282 825 HA2 GLY 100 2HA GLY 100 3.798 13.830 -11.845 826 HA3 GLY 100 1HA GLY 100 3.641 15.289 -12.822 827 HA PRO 101 HA PRO 101 0.840 15.732 -9.004 828 HB2 PRO 101 2HB PRO 101 2.448 18.251 -8.695 829 HB3 PRO 101 1HB PRO 101 1.992 17.048 -7.469 830 HG2 PRO 101 2HG PRO 101 4.514 17.198 -8.321 831 HG3 PRO 101 1HG PRO 101 3.762 15.618 -7.997 832 HD2 PRO 101 2HD PRO 101 4.189 16.987 -10.659 833 HD3 PRO 101 1HD PRO 101 4.491 15.290 -10.202 834 H SER 102 H SER 102 1.977 17.758 -11.641 835 HA SER 102 HA SER 102 -0.265 19.623 -11.562 836 HB2 SER 102 2HB SER 102 0.952 20.662 -13.517 837 HB3 SER 102 1HB SER 102 1.939 20.524 -12.060 838 HG SER 102 HG SER 102 3.170 19.793 -13.752 839 H ALA 103 H ALA 103 0.074 16.528 -12.746 840 HA ALA 103 HA ALA 103 -1.102 16.722 -15.345 841 HB1 ALA 103 1HB ALA 103 -0.956 14.335 -13.469 842 HB2 ALA 103 2HB ALA 103 0.239 14.771 -14.691 843 HB3 ALA 103 3HB ALA 103 -1.380 14.274 -15.183 844 H GLY 104 H GLY 104 -2.996 17.858 -15.348 845 HA2 GLY 104 2HA GLY 104 -5.193 17.417 -13.534 846 HA3 GLY 104 1HA GLY 104 -5.183 18.452 -14.952 847 H LEU 105 H LEU 105 -5.074 14.999 -14.105 848 HA LEU 105 HA LEU 105 -6.360 14.121 -16.530 849 HB2 LEU 105 2HB LEU 105 -5.870 12.594 -13.936 850 HB3 LEU 105 1HB LEU 105 -6.325 11.887 -15.477 851 HG LEU 105 HG LEU 105 -3.660 13.194 -14.785 852 HD11 LEU 105 1HD1 LEU 105 -4.319 10.329 -15.539 853 HD12 LEU 105 2HD1 LEU 105 -3.896 10.918 -13.929 854 HD13 LEU 105 3HD1 LEU 105 -2.706 10.979 -15.226 855 HD21 LEU 105 1HD2 LEU 105 -2.922 12.651 -17.077 856 HD22 LEU 105 2HD2 LEU 105 -4.230 13.829 -17.070 857 HD23 LEU 105 3HD2 LEU 105 -4.565 12.147 -17.489 858 H VAL 106 H VAL 106 -8.401 14.728 -16.840 859 HA VAL 106 HA VAL 106 -10.550 15.303 -16.621 860 HB VAL 106 HB VAL 106 -10.575 13.628 -14.072 861 HG11 VAL 106 1HG1 VAL 106 -12.924 14.664 -15.706 862 HG12 VAL 106 2HG1 VAL 106 -12.463 15.219 -14.096 863 HG13 VAL 106 3HG1 VAL 106 -13.041 13.567 -14.326 864 HG21 VAL 106 1HG2 VAL 106 -11.406 12.884 -16.902 865 HG22 VAL 106 2HG2 VAL 106 -11.534 11.845 -15.481 866 HG23 VAL 106 3HG2 VAL 106 -9.945 12.327 -16.079 867 HA PRO 107 HA PRO 107 -9.435 18.914 -14.025 868 HB2 PRO 107 2HB PRO 107 -11.056 20.523 -15.902 869 HB3 PRO 107 1HB PRO 107 -9.296 20.520 -15.680 870 HG2 PRO 107 2HG PRO 107 -10.460 19.578 -17.935 871 HG3 PRO 107 1HG PRO 107 -8.947 18.896 -17.292 872 HD2 PRO 107 2HD PRO 107 -11.769 17.852 -16.961 873 HD3 PRO 107 1HD PRO 107 -10.291 16.974 -17.431 874 H ARG 108 H ARG 108 -11.778 17.219 -13.360 875 HA ARG 108 HA ARG 108 -13.556 17.155 -12.036 876 HB2 ARG 108 2HB ARG 108 -12.216 18.536 -10.548 877 HB3 ARG 108 1HB ARG 108 -12.731 20.002 -11.367 878 HG2 ARG 108 2HG ARG 108 -14.823 20.023 -10.328 879 HG3 ARG 108 1HG ARG 108 -14.852 18.274 -10.112 880 HD2 ARG 108 2HD ARG 108 -13.078 20.182 -8.544 881 HD3 ARG 108 1HD ARG 108 -14.601 19.496 -7.950 882 HE ARG 108 HE ARG 108 -13.328 17.272 -8.575 883 HH11 ARG 108 1HH1 ARG 108 -11.955 20.028 -6.853 884 HH12 ARG 108 2HH1 ARG 108 -10.819 19.044 -5.989 885 HH21 ARG 108 1HH2 ARG 108 -11.834 16.042 -7.469 886 HH22 ARG 108 2HH2 ARG 108 -10.749 16.794 -6.335 887 H GLY 109 H GLY 109 -14.973 16.792 -13.708 888 HA2 GLY 109 2HA GLY 109 -17.176 18.528 -14.022 889 HA3 GLY 109 1HA GLY 109 -16.135 18.675 -15.436 890 H SER 110 H SER 110 -16.598 15.722 -13.553 891 HA SER 110 HA SER 110 -18.475 14.477 -15.388 892 HB2 SER 110 2HB SER 110 -15.591 13.449 -15.235 893 HB3 SER 110 1HB SER 110 -16.916 12.609 -16.041 894 HG SER 110 HG SER 110 -16.990 14.875 -17.178 895 H GLY 111 H GLY 111 -19.817 13.676 -13.815 896 HA2 GLY 111 2HA GLY 111 -18.973 12.900 -11.196 897 HA3 GLY 111 1HA GLY 111 -20.575 12.684 -11.879 898 H GLY 112 H GLY 112 -18.828 10.868 -10.232 899 HA2 GLY 112 2HA GLY 112 -18.670 8.535 -10.095 900 HA3 GLY 112 1HA GLY 112 -19.077 8.395 -11.803 901 H ILE 113 H ILE 113 -17.348 9.640 -13.200 902 HA ILE 113 HA ILE 113 -14.782 8.531 -13.083 903 HB ILE 113 HB ILE 113 -15.724 11.121 -14.412 904 HG12 ILE 113 2HG1 ILE 113 -15.474 8.303 -15.575 905 HG13 ILE 113 1HG1 ILE 113 -16.982 9.120 -15.181 906 HG21 ILE 113 1HG2 ILE 113 -13.775 10.938 -15.902 907 HG22 ILE 113 2HG2 ILE 113 -13.209 9.529 -15.004 908 HG23 ILE 113 3HG2 ILE 113 -13.272 11.106 -14.218 909 HD11 ILE 113 1HD1 ILE 113 -15.022 9.932 -17.327 910 HD12 ILE 113 2HD1 ILE 113 -16.493 10.811 -16.903 911 HD13 ILE 113 3HD1 ILE 113 -16.599 9.178 -17.555 912 H GLU 114 H GLU 114 -16.165 11.400 -11.641 913 HA GLU 114 HA GLU 114 -14.017 12.934 -10.869 914 HB2 GLU 114 2HB GLU 114 -16.384 13.606 -10.637 915 HB3 GLU 114 1HB GLU 114 -16.634 12.383 -9.397 916 HG2 GLU 114 2HG GLU 114 -16.438 14.680 -8.478 917 HG3 GLU 114 1HG GLU 114 -15.222 13.572 -7.845 918 H GLY 115 H GLY 115 -15.673 10.507 -8.817 919 HA2 GLY 115 2HA GLY 115 -13.814 10.451 -6.713 920 HA3 GLY 115 1HA GLY 115 -14.978 9.185 -7.085 921 H MET1001 H MET 1 -14.075 8.494 -9.666 922 HA MET1001 HA MET 1 -12.203 6.500 -9.103 923 HB2 MET1001 2HB MET 1 -13.764 6.400 -11.031 924 HB3 MET1001 1HB MET 1 -12.905 7.719 -11.813 925 HG2 MET1001 2HG MET 1 -10.881 6.280 -11.958 926 HG3 MET1001 1HG MET 1 -11.797 4.959 -11.231 927 HE1 MET1001 1HE MET 1 -11.371 7.273 -14.408 928 HE2 MET1001 2HE MET 1 -13.041 7.620 -13.951 929 HE3 MET1001 3HE MET 1 -12.699 6.716 -15.425 930 H THR1002 H THR 2 -11.622 9.392 -11.171 931 HA THR1002 HA THR 2 -8.836 8.864 -11.384 932 HB THR1002 HB THR 2 -8.735 11.131 -12.519 933 HG1 THR1002 HG1 THR 2 -10.384 12.440 -12.387 934 HG21 THR1002 1HG2 THR 2 -10.912 9.264 -13.535 935 HG22 THR1002 2HG2 THR 2 -9.181 9.082 -13.833 936 HG23 THR1002 3HG2 THR 2 -10.048 10.469 -14.495 937 H THR1003 H THR 3 -10.707 11.296 -9.470 938 HA THR1003 HA THR 3 -8.425 12.702 -8.547 939 HB THR1003 HB THR 3 -11.181 12.525 -7.259 940 HG1 THR1003 HG1 THR 3 -11.723 13.673 -8.937 941 HG21 THR1003 1HG2 THR 3 -10.633 14.707 -6.234 942 HG22 THR1003 2HG2 THR 3 -9.004 14.622 -6.905 943 HG23 THR1003 3HG2 THR 3 -9.511 13.459 -5.678 944 H ARG1004 H ARG 4 -10.357 10.074 -6.965 945 HA ARG1004 HA ARG 4 -8.755 10.057 -4.594 946 HB2 ARG1004 2HB ARG 4 -10.642 7.938 -5.680 947 HB3 ARG1004 1HB ARG 4 -9.825 7.808 -4.126 948 HG2 ARG1004 2HG ARG 4 -10.989 9.819 -3.325 949 HG3 ARG1004 1HG ARG 4 -11.793 9.993 -4.889 950 HD2 ARG1004 2HD ARG 4 -12.904 7.803 -4.547 951 HD3 ARG1004 1HD ARG 4 -12.098 7.644 -2.980 952 HE ARG1004 HE ARG 4 -13.676 10.048 -3.282 953 HH11 ARG1004 1HH1 ARG 4 -13.774 6.683 -2.266 954 HH12 ARG1004 2HH1 ARG 4 -15.171 6.896 -1.261 955 HH21 ARG1004 1HH2 ARG 4 -15.496 10.335 -1.961 956 HH22 ARG1004 2HH2 ARG 4 -16.151 8.983 -1.089 957 H LEU1005 H LEU 5 -8.606 8.201 -7.665 958 HA LEU1005 HA LEU 5 -6.586 6.401 -6.688 959 HB2 LEU1005 2HB LEU 5 -7.653 6.941 -9.470 960 HB3 LEU1005 1HB LEU 5 -6.273 5.888 -9.223 961 HG LEU1005 HG LEU 5 -9.075 5.418 -8.121 962 HD11 LEU1005 1HD1 LEU 5 -9.129 3.509 -9.683 963 HD12 LEU1005 2HD1 LEU 5 -7.543 3.973 -10.313 964 HD13 LEU1005 3HD1 LEU 5 -8.932 5.040 -10.536 965 HD21 LEU1005 1HD2 LEU 5 -8.230 3.237 -7.347 966 HD22 LEU1005 2HD2 LEU 5 -7.391 4.566 -6.552 967 HD23 LEU1005 3HD2 LEU 5 -6.596 3.676 -7.854 968 H THR1006 H THR 6 -6.386 9.541 -8.395 969 HA THR1006 HA THR 6 -3.549 9.358 -8.888 970 HB THR1006 HB THR 6 -3.658 11.876 -9.210 971 HG1 THR1006 HG1 THR 6 -6.438 11.839 -9.203 972 HG21 THR1006 1HG2 THR 6 -5.733 10.291 -10.781 973 HG22 THR1006 2HG2 THR 6 -4.007 10.370 -11.146 974 HG23 THR1006 3HG2 THR 6 -5.004 11.820 -11.283 975 H ARG1007 H ARG 7 -5.572 10.806 -6.351 976 HA ARG1007 HA ARG 7 -3.546 11.770 -4.631 977 HB2 ARG1007 2HB ARG 7 -5.928 12.385 -4.458 978 HB3 ARG1007 1HB ARG 7 -6.336 10.735 -4.003 979 HG2 ARG1007 2HG ARG 7 -5.155 10.978 -1.879 980 HG3 ARG1007 1HG ARG 7 -4.579 12.583 -2.346 981 HD2 ARG1007 2HD ARG 7 -7.475 11.777 -1.898 982 HD3 ARG1007 1HD ARG 7 -6.491 12.781 -0.826 983 HE ARG1007 HE ARG 7 -6.474 13.999 -3.334 984 HH11 ARG1007 1HH1 ARG 7 -8.894 13.304 -0.867 985 HH12 ARG1007 2HH1 ARG 7 -9.893 14.652 -1.306 986 HH21 ARG1007 1HH2 ARG 7 -7.778 15.745 -3.897 987 HH22 ARG1007 2HH2 ARG 7 -9.257 16.042 -3.035 988 H TRP1008 H TRP 8 -5.042 8.622 -5.025 989 HA TRP1008 HA TRP 8 -3.884 7.284 -2.810 990 HB2 TRP1008 2HB TRP 8 -5.696 6.071 -3.541 991 HB3 TRP1008 1HB TRP 8 -5.508 6.577 -5.207 992 HD1 TRP1008 HD1 TRP 8 -3.996 5.009 -6.801 993 HE1 TRP1008 HE1 TRP 8 -3.438 2.525 -6.641 994 HE3 TRP1008 HE3 TRP 8 -5.139 4.193 -1.885 995 HZ2 TRP1008 HZ2 TRP 8 -3.501 0.457 -4.752 996 HZ3 TRP1008 HZ3 TRP 8 -4.876 1.925 -0.980 997 HH2 TRP1008 HH2 TRP 8 -4.069 0.098 -2.388 998 H LEU1009 H LEU 9 -2.907 7.643 -6.237 999 HA LEU1009 HA LEU 9 -0.653 5.912 -6.078 1000 HB2 LEU1009 2HB LEU 9 -1.299 8.134 -8.065 1001 HB3 LEU1009 1HB LEU 9 0.093 7.079 -8.221 1002 HG LEU1009 HG LEU 9 -2.819 6.184 -8.354 1003 HD11 LEU1009 1HD1 LEU 9 -2.155 7.453 -10.336 1004 HD12 LEU1009 2HD1 LEU 9 -2.413 5.756 -10.727 1005 HD13 LEU1009 3HD1 LEU 9 -0.766 6.388 -10.581 1006 HD21 LEU1009 1HD2 LEU 9 -0.321 4.514 -8.773 1007 HD22 LEU1009 2HD2 LEU 9 -1.993 3.984 -9.012 1008 HD23 LEU1009 3HD2 LEU 9 -1.426 4.410 -7.398 1009 H THR1010 H THR 10 -1.014 9.465 -5.555 1010 HA THR1010 HA THR 10 1.829 9.830 -5.170 1011 HB THR1010 HB THR 10 0.391 11.732 -5.923 1012 HG1 THR1010 HG1 THR 10 2.145 11.892 -3.730 1013 HG21 THR1010 1HG2 THR 10 -0.575 11.822 -3.047 1014 HG22 THR1010 2HG2 THR 10 -1.562 11.419 -4.453 1015 HG23 THR1010 3HG2 THR 10 -0.893 13.042 -4.282 1016 H ALA1011 H ALA 11 -0.865 8.935 -3.095 1017 HA ALA1011 HA ALA 11 0.594 9.146 -0.614 1018 HB1 ALA1011 1HB ALA 11 -1.285 7.884 0.347 1019 HB2 ALA1011 2HB ALA 11 -1.906 7.557 -1.274 1020 HB3 ALA1011 3HB ALA 11 -1.859 9.213 -0.665 1021 H LEU1012 H LEU 12 0.244 6.682 -3.115 1022 HA LEU1012 HA LEU 12 1.520 4.526 -1.713 1023 HB2 LEU1012 2HB LEU 12 1.337 5.010 -4.725 1024 HB3 LEU1012 1HB LEU 12 1.882 3.523 -3.974 1025 HG LEU1012 HG LEU 12 -0.934 4.623 -4.112 1026 HD11 LEU1012 1HD1 LEU 12 -0.181 3.354 -6.047 1027 HD12 LEU1012 2HD1 LEU 12 -1.435 2.475 -5.180 1028 HD13 LEU1012 3HD1 LEU 12 0.253 1.986 -5.017 1029 HD21 LEU1012 1HD2 LEU 12 -1.696 2.759 -2.697 1030 HD22 LEU1012 2HD2 LEU 12 -0.662 3.876 -1.812 1031 HD23 LEU1012 3HD2 LEU 12 -0.016 2.326 -2.356 1032 H ASP1013 H ASP 13 2.509 7.146 -3.816 1033 HA ASP1013 HA ASP 13 5.240 6.424 -4.149 1034 HB2 ASP1013 2HB ASP 13 3.799 7.971 -5.636 1035 HB3 ASP1013 1HB ASP 13 4.051 9.224 -4.433 1036 H ASN1014 H ASN 14 3.440 8.484 -1.924 1037 HA ASN1014 HA ASN 14 5.602 9.567 -0.457 1038 HB2 ASN1014 2HB ASN 14 3.407 10.592 -0.287 1039 HB3 ASN1014 1HB ASN 14 2.698 9.101 0.332 1040 HD21 ASN1014 1HD2 ASN 14 2.939 8.606 2.510 1041 HD22 ASN1014 2HD2 ASN 14 3.639 9.689 3.662 1042 H PHE1015 H PHE 15 3.527 6.690 0.088 1043 HA PHE1015 HA PHE 15 4.679 5.782 2.469 1044 HB2 PHE1015 2HB PHE 15 2.619 4.784 1.733 1045 HB3 PHE1015 1HB PHE 15 3.310 4.304 0.186 1046 HD1 PHE1015 HD1 PHE 15 4.014 2.099 -0.065 1047 HD2 PHE1015 HD2 PHE 15 3.789 3.696 3.874 1048 HE1 PHE1015 HE1 PHE 15 4.574 -0.096 0.844 1049 HE2 PHE1015 HE2 PHE 15 4.356 1.483 4.799 1050 HZ PHE1015 HZ PHE 15 4.750 -0.414 3.283 1051 H GLU1016 H GLU 16 5.315 4.636 -0.834 1052 HA GLU1016 HA GLU 16 7.477 3.082 -0.678 1053 HB2 GLU1016 2HB GLU 16 6.321 3.619 -2.763 1054 HB3 GLU1016 1HB GLU 16 6.874 5.285 -2.687 1055 HG2 GLU1016 2HG GLU 16 8.115 4.088 -4.384 1056 HG3 GLU1016 1HG GLU 16 9.192 4.537 -3.067 1057 H ALA1017 H ALA 17 7.718 6.640 -1.017 1058 HA ALA1017 HA ALA 17 10.507 6.864 -0.878 1059 HB1 ALA1017 1HB ALA 17 9.021 8.626 -1.754 1060 HB2 ALA1017 2HB ALA 17 10.112 9.259 -0.517 1061 HB3 ALA1017 3HB ALA 17 8.421 8.937 -0.123 1062 H LYS1018 H LYS 18 8.108 7.530 1.702 1063 HA LYS1018 HA LYS 18 10.062 8.276 3.641 1064 HB2 LYS1018 2HB LYS 18 7.106 7.625 4.019 1065 HB3 LYS1018 1HB LYS 18 8.124 8.466 5.182 1066 HG2 LYS1018 2HG LYS 18 7.440 9.500 2.408 1067 HG3 LYS1018 1HG LYS 18 6.624 9.985 3.896 1068 HD2 LYS1018 2HD LYS 18 8.631 11.027 4.749 1069 HD3 LYS1018 1HD LYS 18 9.607 10.364 3.433 1070 HE2 LYS1018 2HE LYS 18 9.072 12.777 3.136 1071 HE3 LYS1018 1HE LYS 18 8.473 11.773 1.818 1072 HZ1 LYS1018 1HZ LYS 18 6.270 11.852 2.830 1073 HZ2 LYS1018 2HZ LYS 18 6.838 13.399 2.473 1074 HZ3 LYS1018 3HZ LYS 18 6.852 12.844 4.070 1075 H MET1019 H MET 19 8.479 5.226 2.873 1076 HA MET1019 HA MET 19 9.288 3.976 5.363 1077 HB2 MET1019 2HB MET 19 8.020 2.127 4.831 1078 HB3 MET1019 1HB MET 19 7.137 3.378 3.984 1079 HG2 MET1019 2HG MET 19 7.506 2.421 1.950 1080 HG3 MET1019 1HG MET 19 9.183 2.026 2.313 1081 HE1 MET1019 1HE MET 19 9.848 0.001 3.965 1082 HE2 MET1019 2HE MET 19 8.698 -1.223 4.494 1083 HE3 MET1019 3HE MET 19 8.599 0.406 5.150 1084 H ALA1020 H ALA 20 10.450 4.194 2.045 1085 HA ALA1020 HA ALA 20 12.676 2.419 2.383 1086 HB1 ALA1020 1HB ALA 20 11.890 3.111 0.169 1087 HB2 ALA1020 2HB ALA 20 13.590 3.529 0.389 1088 HB3 ALA1020 3HB ALA 20 12.348 4.781 0.505 1089 H LEU1021 H LEU 21 12.011 5.749 3.294 1090 HA LEU1021 HA LEU 21 14.696 6.413 4.089 1091 HB2 LEU1021 2HB LEU 21 12.044 7.687 4.890 1092 HB3 LEU1021 1HB LEU 21 13.622 8.341 5.294 1093 HG LEU1021 HG LEU 21 12.480 8.070 2.484 1094 HD11 LEU1021 1HD1 LEU 21 11.424 9.875 3.762 1095 HD12 LEU1021 2HD1 LEU 21 12.415 10.510 2.454 1096 HD13 LEU1021 3HD1 LEU 21 13.009 10.569 4.116 1097 HD21 LEU1021 1HD2 LEU 21 14.476 9.296 1.727 1098 HD22 LEU1021 2HD2 LEU 21 14.883 7.729 2.417 1099 HD23 LEU1021 3HD2 LEU 21 15.154 9.200 3.356 1100 H LEU1022 H LEU 22 11.902 4.896 5.730 1101 HA LEU1022 HA LEU 22 12.604 4.940 8.397 1102 HB2 LEU1022 2HB LEU 22 11.502 2.572 6.840 1103 HB3 LEU1022 1HB LEU 22 11.642 2.568 8.587 1104 HG LEU1022 HG LEU 22 9.848 4.422 6.964 1105 HD11 LEU1022 1HD1 LEU 22 7.990 3.127 7.935 1106 HD12 LEU1022 2HD1 LEU 22 9.140 2.034 8.713 1107 HD13 LEU1022 3HD1 LEU 22 9.039 2.107 6.952 1108 HD21 LEU1022 1HD2 LEU 22 10.103 4.130 9.969 1109 HD22 LEU1022 2HD2 LEU 22 8.906 5.112 9.112 1110 HD23 LEU1022 3HD2 LEU 22 10.616 5.524 9.007 1111 HA PRO1023 HA PRO 23 16.540 2.506 8.235 1112 HB2 PRO1023 2HB PRO 23 17.893 3.822 10.140 1113 HB3 PRO1023 1HB PRO 23 17.528 4.635 8.604 1114 HG2 PRO1023 2HG PRO 23 16.205 4.987 11.267 1115 HG3 PRO1023 1HG PRO 23 16.573 6.201 10.023 1116 HD2 PRO1023 2HD PRO 23 14.074 4.892 10.398 1117 HD3 PRO1023 1HD PRO 23 14.543 5.889 9.003 1118 H ALA1024 H ALA 24 13.980 1.945 9.767 1119 HA ALA1024 HA ALA 24 14.730 1.236 12.484 1120 HB1 ALA1024 1HB ALA 24 12.301 0.907 12.775 1121 HB2 ALA1024 2HB ALA 24 12.049 1.176 11.048 1122 HB3 ALA1024 3HB ALA 24 12.657 2.482 12.067 1123 H VAL1025 H VAL 25 13.114 -0.362 9.732 1124 HA VAL1025 HA VAL 25 13.668 -3.024 10.836 1125 HB VAL1025 HB VAL 25 12.066 -2.299 8.338 1126 HG11 VAL1025 1HG1 VAL 25 12.109 -4.870 9.966 1127 HG12 VAL1025 2HG1 VAL 25 12.820 -4.639 8.367 1128 HG13 VAL1025 3HG1 VAL 25 11.072 -4.547 8.572 1129 HG21 VAL1025 1HG2 VAL 25 11.055 -1.214 10.305 1130 HG22 VAL1025 2HG2 VAL 25 10.997 -2.769 11.143 1131 HG23 VAL1025 3HG2 VAL 25 10.023 -2.510 9.693 Start of MODEL 11 1 H1 MET 1 1H MET 1 5.303 -6.320 25.623 2 H2 MET 1 2H MET 1 3.662 -6.212 25.237 3 H3 MET 1 3H MET 1 4.611 -4.820 25.283 4 HA MET 1 HA MET 1 5.926 -5.605 23.430 5 HB2 MET 1 2HB MET 1 5.261 -7.646 22.201 6 HB3 MET 1 1HB MET 1 5.664 -8.033 23.867 7 HG2 MET 1 2HG MET 1 3.362 -8.354 24.444 8 HG3 MET 1 1HG MET 1 2.814 -7.648 22.921 9 HE1 MET 1 1HE MET 1 1.191 -9.680 22.457 10 HE2 MET 1 2HE MET 1 1.665 -10.446 23.976 11 HE3 MET 1 3HE MET 1 1.701 -11.367 22.474 12 H THR 2 H THR 2 3.624 -3.819 24.067 13 HA THR 2 HA THR 2 1.471 -4.111 22.291 14 HB THR 2 HB THR 2 2.476 -1.454 23.413 15 HG1 THR 2 HG1 THR 2 0.720 -3.341 24.651 16 HG21 THR 2 1HG2 THR 2 0.064 -0.856 23.409 17 HG22 THR 2 2HG2 THR 2 -0.320 -2.409 22.665 18 HG23 THR 2 3HG2 THR 2 0.639 -1.221 21.779 19 H SER 3 H SER 3 4.409 -2.046 21.957 20 HA SER 3 HA SER 3 3.832 -0.931 19.441 21 HB2 SER 3 2HB SER 3 6.585 -1.532 20.622 22 HB3 SER 3 1HB SER 3 6.253 -0.418 19.294 23 HG SER 3 HG SER 3 4.972 0.804 20.757 24 H THR 4 H THR 4 5.559 -3.869 20.358 25 HA THR 4 HA THR 4 6.422 -4.829 17.890 26 HB THR 4 HB THR 4 5.597 -6.348 20.406 27 HG1 THR 4 HG1 THR 4 8.173 -5.518 19.499 28 HG21 THR 4 1HG2 THR 4 5.673 -7.930 18.517 29 HG22 THR 4 2HG2 THR 4 7.036 -8.203 19.604 30 HG23 THR 4 3HG2 THR 4 7.286 -7.346 18.082 31 H VAL 5 H VAL 5 3.332 -5.448 19.599 32 HA VAL 5 HA VAL 5 2.229 -7.285 17.758 33 HB VAL 5 HB VAL 5 0.799 -5.445 19.740 34 HG11 VAL 5 1HG1 VAL 5 -1.166 -6.951 19.481 35 HG12 VAL 5 2HG1 VAL 5 -0.324 -7.819 18.195 36 HG13 VAL 5 3HG1 VAL 5 -0.774 -6.128 17.969 37 HG21 VAL 5 1HG2 VAL 5 2.340 -7.073 20.789 38 HG22 VAL 5 2HG2 VAL 5 1.525 -8.392 19.948 39 HG23 VAL 5 3HG2 VAL 5 0.658 -7.454 21.169 40 H GLU 6 H GLU 6 1.522 -3.804 18.215 41 HA GLU 6 HA GLU 6 -0.285 -3.447 16.118 42 HB2 GLU 6 2HB GLU 6 1.673 -1.453 17.337 43 HB3 GLU 6 1HB GLU 6 0.329 -1.006 16.288 44 HG2 GLU 6 2HG GLU 6 -1.270 -1.915 17.921 45 HG3 GLU 6 1HG GLU 6 0.060 -2.397 18.971 46 H PHE 7 H PHE 7 3.223 -3.145 16.141 47 HA PHE 7 HA PHE 7 3.621 -2.048 13.577 48 HB2 PHE 7 2HB PHE 7 5.215 -2.173 15.609 49 HB3 PHE 7 1HB PHE 7 5.604 -3.800 15.083 50 HD1 PHE 7 HD1 PHE 7 7.562 -4.016 13.803 51 HD2 PHE 7 HD2 PHE 7 5.403 -0.320 13.678 52 HE1 PHE 7 HE1 PHE 7 9.349 -3.006 12.448 53 HE2 PHE 7 HE2 PHE 7 7.192 0.676 12.324 54 HZ PHE 7 HZ PHE 7 9.165 -0.662 11.713 55 H ILE 8 H ILE 8 4.136 -5.430 14.702 56 HA ILE 8 HA ILE 8 4.764 -6.514 12.153 57 HB ILE 8 HB ILE 8 3.811 -7.941 14.677 58 HG12 ILE 8 2HG1 ILE 8 6.663 -7.530 13.673 59 HG13 ILE 8 1HG1 ILE 8 5.913 -6.583 14.952 60 HG21 ILE 8 1HG2 ILE 8 4.843 -9.988 13.740 61 HG22 ILE 8 2HG2 ILE 8 5.207 -9.120 12.247 62 HG23 ILE 8 3HG2 ILE 8 3.529 -9.398 12.717 63 HD11 ILE 8 1HD1 ILE 8 5.683 -8.600 16.306 64 HD12 ILE 8 2HD1 ILE 8 7.358 -8.276 15.865 65 HD13 ILE 8 3HD1 ILE 8 6.461 -9.541 15.032 66 H ASN 9 H ASN 9 1.756 -6.490 14.055 67 HA ASN 9 HA ASN 9 0.239 -8.213 12.384 68 HB2 ASN 9 2HB ASN 9 -0.496 -6.294 14.613 69 HB3 ASN 9 1HB ASN 9 -1.764 -7.059 13.662 70 HD21 ASN 9 1HD2 ASN 9 1.104 -7.829 15.628 71 HD22 ASN 9 2HD2 ASN 9 0.489 -9.316 16.232 72 H ARG 10 H ARG 10 0.576 -4.647 12.484 73 HA ARG 10 HA ARG 10 -1.406 -4.374 10.354 74 HB2 ARG 10 2HB ARG 10 0.191 -2.270 11.846 75 HB3 ARG 10 1HB ARG 10 -0.931 -1.901 10.529 76 HG2 ARG 10 2HG ARG 10 -2.751 -3.029 11.816 77 HG3 ARG 10 1HG ARG 10 -1.620 -3.264 13.151 78 HD2 ARG 10 2HD ARG 10 -2.488 -0.590 12.026 79 HD3 ARG 10 1HD ARG 10 -3.111 -1.341 13.499 80 HE ARG 10 HE ARG 10 -0.231 -0.926 13.421 81 HH11 ARG 10 1HH1 ARG 10 -3.337 0.381 14.463 82 HH12 ARG 10 2HH1 ARG 10 -2.626 1.442 15.639 83 HH21 ARG 10 1HH2 ARG 10 0.667 0.548 14.925 84 HH22 ARG 10 2HH2 ARG 10 -0.383 1.531 15.895 85 H TRP 11 H TRP 11 2.130 -4.457 10.544 86 HA TRP 11 HA TRP 11 2.592 -3.672 7.849 87 HB2 TRP 11 2HB TRP 11 4.171 -5.393 9.776 88 HB3 TRP 11 1HB TRP 11 4.616 -5.420 8.073 89 HD1 TRP 11 HD1 TRP 11 5.756 -3.817 11.025 90 HE1 TRP 11 HE1 TRP 11 6.852 -1.557 10.556 91 HE3 TRP 11 HE3 TRP 11 4.027 -2.992 6.282 92 HZ2 TRP 11 HZ2 TRP 11 7.000 0.341 8.504 93 HZ3 TRP 11 HZ3 TRP 11 4.693 -0.922 5.142 94 HH2 TRP 11 HH2 TRP 11 6.144 0.715 6.236 95 H GLN 12 H GLN 12 1.810 -6.750 9.370 96 HA GLN 12 HA GLN 12 1.700 -8.396 7.109 97 HB2 GLN 12 2HB GLN 12 1.636 -9.264 9.425 98 HB3 GLN 12 1HB GLN 12 0.048 -8.546 9.668 99 HG2 GLN 12 2HG GLN 12 -0.885 -10.044 7.934 100 HG3 GLN 12 1HG GLN 12 0.713 -10.758 7.701 101 HE21 GLN 12 1HE2 GLN 12 -0.042 -12.814 8.266 102 HE22 GLN 12 2HE2 GLN 12 -0.426 -13.235 9.894 103 H ARG 13 H ARG 13 -0.799 -6.384 8.679 104 HA ARG 13 HA ARG 13 -2.990 -7.083 7.080 105 HB2 ARG 13 2HB ARG 13 -3.034 -5.808 9.278 106 HB3 ARG 13 1HB ARG 13 -2.527 -4.370 8.399 107 HG2 ARG 13 2HG ARG 13 -4.596 -4.410 7.085 108 HG3 ARG 13 1HG ARG 13 -5.083 -5.919 7.859 109 HD2 ARG 13 2HD ARG 13 -5.041 -4.666 10.075 110 HD3 ARG 13 1HD ARG 13 -4.827 -3.184 9.138 111 HE ARG 13 HE ARG 13 -6.992 -3.747 8.039 112 HH11 ARG 13 1HH1 ARG 13 -6.339 -5.068 11.247 113 HH12 ARG 13 2HH1 ARG 13 -8.020 -5.226 11.650 114 HH21 ARG 13 1HH2 ARG 13 -9.185 -3.933 8.593 115 HH22 ARG 13 2HH2 ARG 13 -9.632 -4.579 10.143 116 H ILE 14 H ILE 14 -0.534 -4.561 6.654 117 HA ILE 14 HA ILE 14 -1.619 -3.330 4.317 118 HB ILE 14 HB ILE 14 1.200 -3.345 5.478 119 HG12 ILE 14 2HG1 ILE 14 -0.902 -1.147 5.523 120 HG13 ILE 14 1HG1 ILE 14 -0.658 -2.296 6.834 121 HG21 ILE 14 1HG2 ILE 14 1.353 -2.807 3.074 122 HG22 ILE 14 2HG2 ILE 14 1.743 -1.407 4.069 123 HG23 ILE 14 3HG2 ILE 14 0.168 -1.520 3.283 124 HD11 ILE 14 1HD1 ILE 14 0.422 -0.244 7.363 125 HD12 ILE 14 2HD1 ILE 14 1.314 -0.255 5.841 126 HD13 ILE 14 3HD1 ILE 14 1.653 -1.473 7.075 127 H ALA 15 H ALA 15 0.716 -5.969 4.825 128 HA ALA 15 HA ALA 15 1.487 -6.364 2.122 129 HB1 ALA 15 1HB ALA 15 1.419 -8.359 4.412 130 HB2 ALA 15 2HB ALA 15 2.758 -7.282 4.015 131 HB3 ALA 15 3HB ALA 15 2.300 -8.562 2.891 132 H LEU 16 H LEU 16 -1.064 -7.768 4.120 133 HA LEU 16 HA LEU 16 -2.161 -9.640 2.324 134 HB2 LEU 16 2HB LEU 16 -3.445 -8.134 4.647 135 HB3 LEU 16 1HB LEU 16 -4.190 -9.503 3.838 136 HG LEU 16 HG LEU 16 -1.560 -9.647 5.364 137 HD11 LEU 16 1HD1 LEU 16 -3.386 -9.126 6.901 138 HD12 LEU 16 2HD1 LEU 16 -2.792 -10.765 7.160 139 HD13 LEU 16 3HD1 LEU 16 -4.313 -10.504 6.300 140 HD21 LEU 16 1HD2 LEU 16 -1.740 -11.357 3.626 141 HD22 LEU 16 2HD2 LEU 16 -3.301 -11.874 4.270 142 HD23 LEU 16 3HD2 LEU 16 -1.834 -12.076 5.233 143 H LEU 17 H LEU 17 -3.090 -6.316 3.143 144 HA LEU 17 HA LEU 17 -5.244 -6.024 1.367 145 HB2 LEU 17 2HB LEU 17 -3.431 -4.026 2.750 146 HB3 LEU 17 1HB LEU 17 -4.709 -3.488 1.670 147 HG LEU 17 HG LEU 17 -5.237 -5.205 4.128 148 HD11 LEU 17 1HD1 LEU 17 -5.456 -2.190 3.898 149 HD12 LEU 17 2HD1 LEU 17 -4.249 -3.075 4.833 150 HD13 LEU 17 3HD1 LEU 17 -5.950 -3.170 5.282 151 HD21 LEU 17 1HD2 LEU 17 -7.566 -4.477 3.818 152 HD22 LEU 17 2HD2 LEU 17 -6.972 -5.330 2.398 153 HD23 LEU 17 3HD2 LEU 17 -7.104 -3.569 2.375 154 H SER 18 H SER 18 -1.756 -5.299 0.951 155 HA SER 18 HA SER 18 -2.052 -3.897 -1.497 156 HB2 SER 18 2HB SER 18 0.428 -4.176 -1.727 157 HB3 SER 18 1HB SER 18 -0.058 -3.536 -0.157 158 HG SER 18 HG SER 18 0.823 -5.188 0.738 159 H GLN 19 H GLN 19 -1.190 -7.322 -0.778 160 HA GLN 19 HA GLN 19 -0.864 -8.068 -3.512 161 HB2 GLN 19 2HB GLN 19 -0.866 -10.392 -2.767 162 HB3 GLN 19 1HB GLN 19 0.115 -9.408 -1.688 163 HG2 GLN 19 2HG GLN 19 -1.751 -9.398 -0.044 164 HG3 GLN 19 1HG GLN 19 -2.679 -10.446 -1.115 165 HE21 GLN 19 1HE2 GLN 19 -1.815 -10.969 1.609 166 HE22 GLN 19 2HE2 GLN 19 -0.835 -12.387 1.557 167 H SER 20 H SER 20 -3.655 -8.125 -1.317 168 HA SER 20 HA SER 20 -5.529 -9.416 -2.975 169 HB2 SER 20 2HB SER 20 -5.949 -7.269 -0.843 170 HB3 SER 20 1HB SER 20 -7.256 -8.184 -1.593 171 HG SER 20 HG SER 20 -5.083 -9.434 -0.279 172 H LEU 21 H LEU 21 -5.101 -5.936 -2.418 173 HA LEU 21 HA LEU 21 -6.759 -4.864 -4.351 174 HB2 LEU 21 2HB LEU 21 -4.269 -3.737 -3.016 175 HB3 LEU 21 1HB LEU 21 -5.294 -2.767 -4.062 176 HG LEU 21 HG LEU 21 -6.417 -4.149 -1.599 177 HD11 LEU 21 1HD1 LEU 21 -4.579 -2.741 -0.808 178 HD12 LEU 21 2HD1 LEU 21 -6.134 -2.069 -0.328 179 HD13 LEU 21 3HD1 LEU 21 -5.242 -1.356 -1.672 180 HD21 LEU 21 1HD2 LEU 21 -8.040 -3.378 -3.263 181 HD22 LEU 21 2HD2 LEU 21 -7.365 -1.748 -3.190 182 HD23 LEU 21 3HD2 LEU 21 -8.162 -2.442 -1.777 183 H LEU 22 H LEU 22 -3.460 -6.052 -4.607 184 HA LEU 22 HA LEU 22 -2.798 -4.933 -7.129 185 HB2 LEU 22 2HB LEU 22 -1.052 -5.840 -5.664 186 HB3 LEU 22 1HB LEU 22 -1.760 -7.445 -5.762 187 HG LEU 22 HG LEU 22 -1.199 -7.569 -8.174 188 HD11 LEU 22 1HD1 LEU 22 0.045 -4.831 -7.799 189 HD12 LEU 22 2HD1 LEU 22 -1.366 -5.234 -8.788 190 HD13 LEU 22 3HD1 LEU 22 0.222 -5.855 -9.229 191 HD21 LEU 22 1HD2 LEU 22 0.408 -8.434 -6.543 192 HD22 LEU 22 2HD2 LEU 22 1.193 -6.856 -6.459 193 HD23 LEU 22 3HD2 LEU 22 1.229 -7.781 -7.961 194 H GLU 23 H GLU 23 -4.019 -8.173 -6.185 195 HA GLU 23 HA GLU 23 -4.331 -9.244 -8.785 196 HB2 GLU 23 2HB GLU 23 -5.864 -9.877 -6.228 197 HB3 GLU 23 1HB GLU 23 -5.985 -10.832 -7.705 198 HG2 GLU 23 2HG GLU 23 -3.600 -11.394 -7.561 199 HG3 GLU 23 1HG GLU 23 -3.441 -10.400 -6.111 200 H LEU 24 H LEU 24 -6.498 -7.322 -6.768 201 HA LEU 24 HA LEU 24 -8.841 -7.454 -8.343 202 HB2 LEU 24 2HB LEU 24 -7.953 -5.176 -6.529 203 HB3 LEU 24 1HB LEU 24 -9.595 -5.483 -7.072 204 HG LEU 24 HG LEU 24 -7.988 -7.270 -5.227 205 HD11 LEU 24 1HD1 LEU 24 -8.609 -5.194 -4.129 206 HD12 LEU 24 2HD1 LEU 24 -9.493 -6.557 -3.450 207 HD13 LEU 24 3HD1 LEU 24 -10.300 -5.446 -4.559 208 HD21 LEU 24 1HD2 LEU 24 -9.519 -8.601 -6.561 209 HD22 LEU 24 2HD2 LEU 24 -10.866 -7.551 -6.121 210 HD23 LEU 24 3HD2 LEU 24 -10.063 -8.529 -4.888 211 H ALA 25 H ALA 25 -6.182 -5.086 -8.233 212 HA ALA 25 HA ALA 25 -7.060 -3.318 -10.241 213 HB1 ALA 25 1HB ALA 25 -4.208 -3.963 -9.414 214 HB2 ALA 25 2HB ALA 25 -5.258 -2.781 -8.635 215 HB3 ALA 25 3HB ALA 25 -4.734 -2.526 -10.300 216 H GLN 26 H GLN 26 -5.097 -6.257 -10.388 217 HA GLN 26 HA GLN 26 -4.539 -6.216 -13.178 218 HB2 GLN 26 2HB GLN 26 -4.434 -8.425 -11.091 219 HB3 GLN 26 1HB GLN 26 -4.004 -8.712 -12.776 220 HG2 GLN 26 2HG GLN 26 -2.252 -6.952 -12.597 221 HG3 GLN 26 1HG GLN 26 -2.659 -6.753 -10.895 222 HE21 GLN 26 1HE2 GLN 26 -0.455 -7.227 -10.454 223 HE22 GLN 26 2HE2 GLN 26 0.135 -8.848 -10.447 224 H ARG 27 H ARG 27 -7.311 -7.342 -11.323 225 HA ARG 27 HA ARG 27 -8.583 -8.537 -13.695 226 HB2 ARG 27 2HB ARG 27 -9.613 -8.233 -10.849 227 HB3 ARG 27 1HB ARG 27 -10.467 -9.066 -12.145 228 HG2 ARG 27 2HG ARG 27 -7.770 -9.881 -11.033 229 HG3 ARG 27 1HG ARG 27 -9.315 -10.605 -10.587 230 HD2 ARG 27 2HD ARG 27 -9.630 -11.472 -12.823 231 HD3 ARG 27 1HD ARG 27 -8.222 -10.585 -13.423 232 HE ARG 27 HE ARG 27 -7.304 -12.183 -11.370 233 HH11 ARG 27 1HH1 ARG 27 -8.821 -12.746 -14.500 234 HH12 ARG 27 2HH1 ARG 27 -8.047 -14.280 -14.725 235 HH21 ARG 27 1HH2 ARG 27 -6.294 -14.161 -11.682 236 HH22 ARG 27 2HH2 ARG 27 -6.601 -15.084 -13.116 237 H GLY 28 H GLY 28 -8.204 -5.431 -12.607 238 HA2 GLY 28 2HA GLY 28 -9.102 -3.463 -13.399 239 HA3 GLY 28 1HA GLY 28 -10.249 -4.389 -14.348 240 H GLU 29 H GLU 29 -10.224 -5.162 -11.024 241 HA GLU 29 HA GLU 29 -12.894 -4.159 -10.579 242 HB2 GLU 29 2HB GLU 29 -11.022 -5.627 -8.662 243 HB3 GLU 29 1HB GLU 29 -12.759 -5.413 -8.453 244 HG2 GLU 29 2HG GLU 29 -13.186 -6.813 -10.427 245 HG3 GLU 29 1HG GLU 29 -11.454 -6.984 -10.698 246 H TRP 30 H TRP 30 -12.343 -1.834 -10.768 247 HA TRP 30 HA TRP 30 -10.368 -0.604 -9.113 248 HB2 TRP 30 2HB TRP 30 -12.651 0.848 -10.497 249 HB3 TRP 30 1HB TRP 30 -11.100 1.522 -10.013 250 HD1 TRP 30 HD1 TRP 30 -12.656 1.126 -13.029 251 HE1 TRP 30 HE1 TRP 30 -11.142 0.423 -14.973 252 HE3 TRP 30 HE3 TRP 30 -8.677 -0.740 -10.375 253 HZ2 TRP 30 HZ2 TRP 30 -8.626 -0.762 -15.361 254 HZ3 TRP 30 HZ3 TRP 30 -6.760 -1.640 -11.628 255 HH2 TRP 30 HH2 TRP 30 -6.740 -1.654 -14.071 256 H ASP 31 H ASP 31 -13.818 -1.127 -8.792 257 HA ASP 31 HA ASP 31 -14.532 0.835 -6.927 258 HB2 ASP 31 2HB ASP 31 -16.204 -0.474 -8.204 259 HB3 ASP 31 1HB ASP 31 -15.768 -1.933 -7.317 260 H LEU 32 H LEU 32 -13.289 -2.425 -6.456 261 HA LEU 32 HA LEU 32 -13.536 -2.541 -3.632 262 HB2 LEU 32 2HB LEU 32 -11.696 -4.061 -5.506 263 HB3 LEU 32 1HB LEU 32 -11.993 -4.485 -3.826 264 HG LEU 32 HG LEU 32 -14.040 -4.545 -6.080 265 HD11 LEU 32 1HD1 LEU 32 -12.454 -6.371 -6.236 266 HD12 LEU 32 2HD1 LEU 32 -14.027 -6.982 -5.728 267 HD13 LEU 32 3HD1 LEU 32 -12.725 -6.800 -4.544 268 HD21 LEU 32 1HD2 LEU 32 -15.126 -3.885 -3.988 269 HD22 LEU 32 2HD2 LEU 32 -14.416 -5.269 -3.153 270 HD23 LEU 32 3HD2 LEU 32 -15.595 -5.520 -4.442 271 H LEU 33 H LEU 33 -11.003 -1.365 -5.811 272 HA LEU 33 HA LEU 33 -9.084 -0.766 -3.778 273 HB2 LEU 33 2HB LEU 33 -9.405 0.170 -6.640 274 HB3 LEU 33 1HB LEU 33 -8.220 0.924 -5.591 275 HG LEU 33 HG LEU 33 -7.133 -1.314 -5.253 276 HD11 LEU 33 1HD1 LEU 33 -9.013 -2.781 -5.722 277 HD12 LEU 33 2HD1 LEU 33 -7.636 -3.169 -6.752 278 HD13 LEU 33 3HD1 LEU 33 -9.010 -2.277 -7.415 279 HD21 LEU 33 1HD2 LEU 33 -6.255 0.275 -6.880 280 HD22 LEU 33 2HD2 LEU 33 -7.309 -0.394 -8.129 281 HD23 LEU 33 3HD2 LEU 33 -6.025 -1.385 -7.428 282 H LEU 34 H LEU 34 -11.772 1.057 -5.229 283 HA LEU 34 HA LEU 34 -11.252 3.587 -4.057 284 HB2 LEU 34 2HB LEU 34 -13.958 2.423 -4.838 285 HB3 LEU 34 1HB LEU 34 -13.612 4.124 -4.573 286 HG LEU 34 HG LEU 34 -12.551 2.406 -6.846 287 HD11 LEU 34 1HD1 LEU 34 -14.906 2.968 -7.115 288 HD12 LEU 34 2HD1 LEU 34 -13.921 3.821 -8.301 289 HD13 LEU 34 3HD1 LEU 34 -14.548 4.685 -6.894 290 HD21 LEU 34 1HD2 LEU 34 -11.555 4.452 -7.761 291 HD22 LEU 34 2HD2 LEU 34 -10.853 4.040 -6.200 292 HD23 LEU 34 3HD2 LEU 34 -12.034 5.347 -6.316 293 H GLN 35 H GLN 35 -12.940 0.731 -2.918 294 HA GLN 35 HA GLN 35 -14.124 1.879 -0.553 295 HB2 GLN 35 2HB GLN 35 -15.208 -0.016 -1.620 296 HB3 GLN 35 1HB GLN 35 -13.735 -0.972 -1.549 297 HG2 GLN 35 2HG GLN 35 -15.376 -1.753 0.094 298 HG3 GLN 35 1HG GLN 35 -13.921 -1.147 0.883 299 HE21 GLN 35 1HE2 GLN 35 -15.000 -0.825 2.847 300 HE22 GLN 35 2HE2 GLN 35 -16.158 0.441 3.082 301 H GLN 36 H GLN 36 -11.484 -0.434 -1.119 302 HA GLN 36 HA GLN 36 -10.690 -0.521 1.651 303 HB2 GLN 36 2HB GLN 36 -9.624 -1.868 -0.851 304 HB3 GLN 36 1HB GLN 36 -8.967 -2.166 0.758 305 HG2 GLN 36 2HG GLN 36 -11.010 -3.165 1.515 306 HG3 GLN 36 1HG GLN 36 -11.905 -2.569 0.125 307 HE21 GLN 36 1HE2 GLN 36 -10.035 -3.368 -1.888 308 HE22 GLN 36 2HE2 GLN 36 -10.097 -5.091 -1.974 309 H GLU 37 H GLU 37 -9.953 1.570 -0.876 310 HA GLU 37 HA GLU 37 -7.368 2.369 -0.803 311 HB2 GLU 37 2HB GLU 37 -9.097 3.468 -2.152 312 HB3 GLU 37 1HB GLU 37 -9.867 4.110 -0.712 313 HG2 GLU 37 2HG GLU 37 -7.822 5.508 -0.322 314 HG3 GLU 37 1HG GLU 37 -7.182 4.936 -1.862 315 H VAL 38 H VAL 38 -9.790 3.842 1.418 316 HA VAL 38 HA VAL 38 -7.845 5.287 2.882 317 HB VAL 38 HB VAL 38 -9.649 5.873 4.460 318 HG11 VAL 38 1HG1 VAL 38 -11.142 7.024 2.863 319 HG12 VAL 38 2HG1 VAL 38 -10.513 6.019 1.553 320 HG13 VAL 38 3HG1 VAL 38 -9.446 7.149 2.388 321 HG21 VAL 38 1HG2 VAL 38 -11.362 3.881 2.929 322 HG22 VAL 38 2HG2 VAL 38 -11.956 5.018 4.143 323 HG23 VAL 38 3HG2 VAL 38 -10.835 3.739 4.609 324 H SER 39 H SER 39 -9.118 2.073 3.257 325 HA SER 39 HA SER 39 -8.431 1.641 6.000 326 HB2 SER 39 2HB SER 39 -8.836 -0.390 3.754 327 HB3 SER 39 1HB SER 39 -8.908 -0.720 5.488 328 HG SER 39 HG SER 39 -10.669 0.889 5.503 329 H TYR 40 H TYR 40 -6.891 0.829 2.901 330 HA TYR 40 HA TYR 40 -4.571 -0.464 3.832 331 HB2 TYR 40 2HB TYR 40 -5.351 -0.615 1.491 332 HB3 TYR 40 1HB TYR 40 -5.054 1.101 1.257 333 HD1 TYR 40 HD1 TYR 40 -3.083 1.651 0.091 334 HD2 TYR 40 HD2 TYR 40 -3.144 -1.963 2.347 335 HE1 TYR 40 HE1 TYR 40 -0.848 1.088 -0.745 336 HE2 TYR 40 HE2 TYR 40 -0.910 -2.515 1.511 337 HH TYR 40 HH TYR 40 1.063 -0.279 -0.138 338 H LEU 41 H LEU 41 -5.211 2.910 2.935 339 HA LEU 41 HA LEU 41 -2.552 3.865 3.382 340 HB2 LEU 41 2HB LEU 41 -5.138 5.454 3.150 341 HB3 LEU 41 1HB LEU 41 -3.511 6.097 2.976 342 HG LEU 41 HG LEU 41 -4.825 4.094 1.098 343 HD11 LEU 41 1HD1 LEU 41 -5.850 6.289 0.904 344 HD12 LEU 41 2HD1 LEU 41 -4.902 5.917 -0.534 345 HD13 LEU 41 3HD1 LEU 41 -4.267 7.039 0.675 346 HD21 LEU 41 1HD2 LEU 41 -2.881 4.463 -0.378 347 HD22 LEU 41 2HD2 LEU 41 -2.424 3.724 1.158 348 HD23 LEU 41 3HD2 LEU 41 -2.114 5.440 0.882 349 H GLN 42 H GLN 42 -5.446 3.599 5.389 350 HA GLN 42 HA GLN 42 -4.615 5.251 7.558 351 HB2 GLN 42 2HB GLN 42 -6.975 4.447 7.236 352 HB3 GLN 42 1HB GLN 42 -6.461 2.820 7.656 353 HG2 GLN 42 2HG GLN 42 -7.534 3.808 9.573 354 HG3 GLN 42 1HG GLN 42 -5.812 3.657 9.922 355 HE21 GLN 42 1HE2 GLN 42 -8.411 5.881 9.213 356 HE22 GLN 42 2HE2 GLN 42 -7.585 7.318 9.705 357 H SER 43 H SER 43 -4.402 1.741 6.965 358 HA SER 43 HA SER 43 -3.061 1.010 9.326 359 HB2 SER 43 2HB SER 43 -4.246 -0.565 7.736 360 HB3 SER 43 1HB SER 43 -2.881 -0.410 6.630 361 HG SER 43 HG SER 43 -1.554 -1.260 8.326 362 H ILE 44 H ILE 44 -1.877 2.021 6.146 363 HA ILE 44 HA ILE 44 0.895 1.857 6.429 364 HB ILE 44 HB ILE 44 -0.960 3.642 4.837 365 HG12 ILE 44 2HG1 ILE 44 1.129 1.608 3.962 366 HG13 ILE 44 1HG1 ILE 44 -0.592 1.290 4.125 367 HG21 ILE 44 1HG2 ILE 44 2.046 3.999 4.792 368 HG22 ILE 44 2HG2 ILE 44 0.851 5.190 5.303 369 HG23 ILE 44 3HG2 ILE 44 0.927 4.687 3.614 370 HD11 ILE 44 1HD1 ILE 44 -1.052 2.885 2.328 371 HD12 ILE 44 2HD1 ILE 44 0.021 1.583 1.817 372 HD13 ILE 44 3HD1 ILE 44 0.683 3.183 2.153 373 H GLU 45 H GLU 45 -1.308 4.501 7.249 374 HA GLU 45 HA GLU 45 0.625 6.425 7.973 375 HB2 GLU 45 2HB GLU 45 -1.736 6.863 7.270 376 HB3 GLU 45 1HB GLU 45 -2.301 6.214 8.805 377 HG2 GLU 45 2HG GLU 45 -1.273 8.051 10.016 378 HG3 GLU 45 1HG GLU 45 -0.508 8.649 8.541 379 H THR 46 H THR 46 -1.287 4.139 9.888 380 HA THR 46 HA THR 46 -0.394 5.152 12.424 381 HB THR 46 HB THR 46 -2.658 4.236 12.182 382 HG1 THR 46 HG1 THR 46 -2.228 4.012 14.244 383 HG21 THR 46 1HG2 THR 46 -1.348 1.513 11.832 384 HG22 THR 46 2HG2 THR 46 -2.201 2.404 10.572 385 HG23 THR 46 3HG2 THR 46 -3.082 1.827 11.988 386 H VAL 47 H VAL 47 0.583 2.401 10.339 387 HA VAL 47 HA VAL 47 2.250 1.177 12.354 388 HB VAL 47 HB VAL 47 1.295 -0.014 10.259 389 HG11 VAL 47 1HG1 VAL 47 2.044 1.548 8.530 390 HG12 VAL 47 2HG1 VAL 47 2.723 -0.053 8.241 391 HG13 VAL 47 3HG1 VAL 47 3.731 1.218 8.929 392 HG21 VAL 47 1HG2 VAL 47 2.872 -1.094 11.818 393 HG22 VAL 47 2HG2 VAL 47 4.233 -0.438 10.895 394 HG23 VAL 47 3HG2 VAL 47 3.149 -1.616 10.152 395 H MET 48 H MET 48 2.730 3.532 9.776 396 HA MET 48 HA MET 48 5.573 3.776 9.996 397 HB2 MET 48 2HB MET 48 4.304 4.380 7.946 398 HB3 MET 48 1HB MET 48 3.512 5.688 8.809 399 HG2 MET 48 2HG MET 48 5.639 6.843 9.053 400 HG3 MET 48 1HG MET 48 6.483 5.495 8.294 401 HE1 MET 48 1HE MET 48 4.644 4.659 5.852 402 HE2 MET 48 2HE MET 48 6.386 4.922 5.726 403 HE3 MET 48 3HE MET 48 5.292 5.702 4.584 404 H GLU 49 H GLU 49 2.791 5.295 11.524 405 HA GLU 49 HA GLU 49 4.173 7.288 13.012 406 HB2 GLU 49 2HB GLU 49 1.667 7.174 12.569 407 HB3 GLU 49 1HB GLU 49 1.569 5.894 13.770 408 HG2 GLU 49 2HG GLU 49 0.888 8.043 14.712 409 HG3 GLU 49 1HG GLU 49 2.336 7.437 15.513 410 H LYS 50 H LYS 50 3.495 3.859 13.579 411 HA LYS 50 HA LYS 50 4.694 3.841 16.253 412 HB2 LYS 50 2HB LYS 50 3.384 1.687 14.550 413 HB3 LYS 50 1HB LYS 50 4.137 1.336 16.100 414 HG2 LYS 50 2HG LYS 50 1.803 3.229 15.687 415 HG3 LYS 50 1HG LYS 50 1.680 1.556 16.241 416 HD2 LYS 50 2HD LYS 50 3.062 2.144 18.236 417 HD3 LYS 50 1HD LYS 50 3.096 3.825 17.695 418 HE2 LYS 50 2HE LYS 50 0.649 3.949 17.913 419 HE3 LYS 50 1HE LYS 50 0.593 2.256 18.405 420 HZ1 LYS 50 1HZ LYS 50 0.469 3.640 20.324 421 HZ2 LYS 50 2HZ LYS 50 1.855 4.493 19.884 422 HZ3 LYS 50 3HZ LYS 50 1.974 2.878 20.332 423 H GLN 51 H GLN 51 6.397 4.528 13.965 424 HA GLN 51 HA GLN 51 8.127 2.536 13.103 425 HB2 GLN 51 2HB GLN 51 9.883 4.428 13.001 426 HB3 GLN 51 1HB GLN 51 8.403 4.674 12.084 427 HG2 GLN 51 2HG GLN 51 7.557 6.248 13.669 428 HG3 GLN 51 1HG GLN 51 8.774 5.805 14.867 429 HE21 GLN 51 1HE2 GLN 51 9.383 7.981 15.080 430 HE22 GLN 51 2HE2 GLN 51 10.347 8.776 13.886 431 H THR 52 H THR 52 8.992 1.036 14.401 432 HA THR 52 HA THR 52 9.700 1.411 17.150 433 HB THR 52 HB THR 52 10.564 -0.960 16.963 434 HG1 THR 52 HG1 THR 52 11.213 -0.922 14.782 435 HG21 THR 52 1HG2 THR 52 8.375 -2.020 16.524 436 HG22 THR 52 2HG2 THR 52 7.782 -0.515 15.817 437 HG23 THR 52 3HG2 THR 52 8.193 -0.585 17.535 438 HA PRO 53 HA PRO 53 13.969 2.772 16.843 439 HB2 PRO 53 2HB PRO 53 15.174 1.328 18.899 440 HB3 PRO 53 1HB PRO 53 14.166 2.763 19.153 441 HG2 PRO 53 2HG PRO 53 13.385 -0.134 19.338 442 HG3 PRO 53 1HG PRO 53 13.002 1.207 20.443 443 HD2 PRO 53 2HD PRO 53 11.185 0.365 18.674 444 HD3 PRO 53 1HD PRO 53 11.370 2.104 19.013 445 HA PRO 54 HA PRO 54 16.456 0.407 14.044 446 HB2 PRO 54 2HB PRO 54 18.749 0.845 15.976 447 HB3 PRO 54 1HB PRO 54 18.697 1.089 14.214 448 HG2 PRO 54 2HG PRO 54 18.514 3.185 15.806 449 HG3 PRO 54 1HG PRO 54 17.459 3.065 14.378 450 HD2 PRO 54 2HD PRO 54 16.779 2.629 17.266 451 HD3 PRO 54 1HD PRO 54 15.797 3.345 15.969 452 H GLY 55 H GLY 55 17.283 -0.461 17.427 453 HA2 GLY 55 2HA GLY 55 18.347 -3.037 16.807 454 HA3 GLY 55 1HA GLY 55 17.926 -2.437 18.400 455 H ILE 56 H ILE 56 16.619 -3.876 15.481 456 HA ILE 56 HA ILE 56 14.258 -4.918 16.894 457 HB ILE 56 HB ILE 56 14.882 -4.326 13.989 458 HG12 ILE 56 2HG1 ILE 56 13.743 -2.594 15.405 459 HG13 ILE 56 1HG1 ILE 56 12.755 -3.102 14.040 460 HG21 ILE 56 1HG2 ILE 56 12.840 -5.510 13.249 461 HG22 ILE 56 2HG2 ILE 56 12.671 -6.200 14.864 462 HG23 ILE 56 3HG2 ILE 56 14.069 -6.611 13.872 463 HD11 ILE 56 1HD1 ILE 56 11.392 -4.486 15.499 464 HD12 ILE 56 2HD1 ILE 56 11.459 -2.828 16.097 465 HD13 ILE 56 3HD1 ILE 56 12.418 -4.082 16.878 466 H THR 57 H THR 57 14.175 -6.976 17.426 467 HA THR 57 HA THR 57 16.381 -8.760 17.177 468 HB THR 57 HB THR 57 14.928 -8.735 19.165 469 HG1 THR 57 HG1 THR 57 15.586 -10.727 19.328 470 HG21 THR 57 1HG2 THR 57 12.647 -9.631 19.125 471 HG22 THR 57 2HG2 THR 57 12.754 -9.888 17.383 472 HG23 THR 57 3HG2 THR 57 12.771 -8.244 18.036 473 H ARG 58 H ARG 58 15.861 -11.154 16.595 474 HA ARG 58 HA ARG 58 15.901 -11.319 13.817 475 HB2 ARG 58 2HB ARG 58 15.923 -13.301 16.073 476 HB3 ARG 58 1HB ARG 58 15.566 -13.942 14.480 477 HG2 ARG 58 2HG ARG 58 17.966 -14.122 15.162 478 HG3 ARG 58 1HG ARG 58 17.704 -13.300 13.627 479 HD2 ARG 58 2HD ARG 58 18.131 -11.786 16.223 480 HD3 ARG 58 1HD ARG 58 19.473 -12.315 15.205 481 HE ARG 58 HE ARG 58 17.685 -10.909 13.584 482 HH11 ARG 58 1HH1 ARG 58 19.905 -10.210 16.245 483 HH12 ARG 58 2HH1 ARG 58 20.157 -8.567 15.741 484 HH21 ARG 58 1HH2 ARG 58 18.022 -8.765 12.963 485 HH22 ARG 58 2HH2 ARG 58 19.089 -7.747 13.875 486 H SER 59 H SER 59 13.278 -12.424 16.031 487 HA SER 59 HA SER 59 11.587 -13.503 14.071 488 HB2 SER 59 2HB SER 59 10.778 -12.283 16.748 489 HB3 SER 59 1HB SER 59 9.804 -13.396 15.781 490 HG SER 59 HG SER 59 11.530 -14.042 17.618 491 H ILE 60 H ILE 60 11.470 -10.282 15.620 492 HA ILE 60 HA ILE 60 9.283 -9.254 14.166 493 HB ILE 60 HB ILE 60 11.542 -7.628 15.440 494 HG12 ILE 60 2HG1 ILE 60 8.888 -8.509 16.675 495 HG13 ILE 60 1HG1 ILE 60 10.474 -9.138 17.106 496 HG21 ILE 60 1HG2 ILE 60 8.705 -6.787 14.715 497 HG22 ILE 60 2HG2 ILE 60 10.173 -6.292 13.874 498 HG23 ILE 60 3HG2 ILE 60 9.897 -5.775 15.537 499 HD11 ILE 60 1HD1 ILE 60 9.521 -6.300 17.522 500 HD12 ILE 60 2HD1 ILE 60 11.120 -6.923 17.942 501 HD13 ILE 60 3HD1 ILE 60 9.687 -7.550 18.756 502 H GLN 61 H GLN 61 12.799 -9.190 13.553 503 HA GLN 61 HA GLN 61 12.806 -7.317 11.440 504 HB2 GLN 61 2HB GLN 61 14.883 -8.029 12.661 505 HB3 GLN 61 1HB GLN 61 14.803 -9.592 11.855 506 HG2 GLN 61 2HG GLN 61 14.970 -8.352 9.646 507 HG3 GLN 61 1HG GLN 61 15.268 -6.884 10.569 508 HE21 GLN 61 1HE2 GLN 61 17.262 -6.650 11.673 509 HE22 GLN 61 2HE2 GLN 61 18.624 -7.645 11.283 510 H ASP 62 H ASP 62 12.790 -10.898 11.379 511 HA ASP 62 HA ASP 62 12.805 -11.185 8.567 512 HB2 ASP 62 2HB ASP 62 13.485 -13.038 10.023 513 HB3 ASP 62 1HB ASP 62 11.874 -13.125 10.727 514 H MET 63 H MET 63 10.096 -11.283 10.927 515 HA MET 63 HA MET 63 8.055 -11.794 9.035 516 HB2 MET 63 2HB MET 63 7.932 -10.605 11.827 517 HB3 MET 63 1HB MET 63 6.486 -10.854 10.855 518 HG2 MET 63 2HG MET 63 7.026 -13.272 10.725 519 HG3 MET 63 1HG MET 63 8.411 -12.994 11.783 520 HE1 MET 63 1HE MET 63 6.673 -11.919 15.140 521 HE2 MET 63 2HE MET 63 7.300 -10.850 13.886 522 HE3 MET 63 3HE MET 63 8.209 -12.287 14.360 523 H VAL 64 H VAL 64 8.861 -8.689 10.647 524 HA VAL 64 HA VAL 64 7.115 -7.042 9.223 525 HB VAL 64 HB VAL 64 9.709 -6.454 10.696 526 HG11 VAL 64 1HG1 VAL 64 9.195 -4.027 10.586 527 HG12 VAL 64 2HG1 VAL 64 7.907 -4.368 9.429 528 HG13 VAL 64 3HG1 VAL 64 9.584 -4.704 9.002 529 HG21 VAL 64 1HG2 VAL 64 7.767 -7.137 12.047 530 HG22 VAL 64 2HG2 VAL 64 6.806 -5.830 11.349 531 HG23 VAL 64 3HG2 VAL 64 8.194 -5.454 12.374 532 H ALA 65 H ALA 65 10.521 -7.859 8.473 533 HA ALA 65 HA ALA 65 10.767 -6.182 6.197 534 HB1 ALA 65 1HB ALA 65 12.316 -8.715 6.819 535 HB2 ALA 65 2HB ALA 65 12.738 -7.088 7.355 536 HB3 ALA 65 3HB ALA 65 12.769 -7.481 5.634 537 H GLY 66 H GLY 66 9.650 -9.527 6.606 538 HA2 GLY 66 2HA GLY 66 9.414 -10.249 3.871 539 HA3 GLY 66 1HA GLY 66 8.520 -10.961 5.206 540 H TYR 67 H TYR 67 7.203 -8.649 6.124 541 HA TYR 67 HA TYR 67 4.945 -8.550 4.349 542 HB2 TYR 67 2HB TYR 67 5.504 -6.892 6.845 543 HB3 TYR 67 1HB TYR 67 3.942 -7.071 6.048 544 HD1 TYR 67 HD1 TYR 67 4.951 -7.740 9.008 545 HD2 TYR 67 HD2 TYR 67 4.063 -10.116 5.560 546 HE1 TYR 67 HE1 TYR 67 4.418 -9.650 10.456 547 HE2 TYR 67 HE2 TYR 67 3.534 -12.022 7.018 548 HH TYR 67 HH TYR 67 4.037 -12.820 9.255 549 H ILE 68 H ILE 68 7.571 -6.391 5.202 550 HA ILE 68 HA ILE 68 6.738 -4.057 3.837 551 HB ILE 68 HB ILE 68 9.421 -5.019 4.884 552 HG12 ILE 68 2HG1 ILE 68 7.658 -2.647 5.643 553 HG13 ILE 68 1HG1 ILE 68 7.765 -4.165 6.525 554 HG21 ILE 68 1HG2 ILE 68 10.018 -3.795 2.854 555 HG22 ILE 68 2HG2 ILE 68 10.466 -2.853 4.277 556 HG23 ILE 68 3HG2 ILE 68 9.021 -2.428 3.358 557 HD11 ILE 68 1HD1 ILE 68 9.012 -2.421 7.637 558 HD12 ILE 68 2HD1 ILE 68 9.982 -2.144 6.191 559 HD13 ILE 68 3HD1 ILE 68 10.107 -3.677 7.059 560 H LYS 69 H LYS 69 8.789 -6.819 2.908 561 HA LYS 69 HA LYS 69 9.589 -5.808 0.371 562 HB2 LYS 69 2HB LYS 69 10.711 -7.698 1.733 563 HB3 LYS 69 1HB LYS 69 9.438 -8.757 1.139 564 HG2 LYS 69 2HG LYS 69 11.424 -9.040 -0.233 565 HG3 LYS 69 1HG LYS 69 10.159 -8.266 -1.196 566 HD2 LYS 69 2HD LYS 69 11.219 -6.076 -0.910 567 HD3 LYS 69 1HD LYS 69 12.426 -6.763 0.180 568 HE2 LYS 69 2HE LYS 69 12.113 -7.417 -2.768 569 HE3 LYS 69 1HE LYS 69 13.352 -6.380 -2.064 570 HZ1 LYS 69 1HZ LYS 69 13.014 -9.285 -1.529 571 HZ2 LYS 69 2HZ LYS 69 14.183 -8.293 -0.827 572 HZ3 LYS 69 3HZ LYS 69 14.215 -8.582 -2.489 573 H GLN 70 H GLN 70 7.020 -7.930 1.513 574 HA GLN 70 HA GLN 70 5.803 -8.656 -0.895 575 HB2 GLN 70 2HB GLN 70 5.251 -9.701 1.289 576 HB3 GLN 70 1HB GLN 70 4.505 -8.204 1.826 577 HG2 GLN 70 2HG GLN 70 2.729 -9.671 1.204 578 HG3 GLN 70 1HG GLN 70 2.835 -8.448 -0.057 579 HE21 GLN 70 1HE2 GLN 70 1.580 -11.009 -0.291 580 HE22 GLN 70 2HE2 GLN 70 2.407 -11.887 -1.525 581 H THR 71 H THR 71 5.011 -5.942 1.320 582 HA THR 71 HA THR 71 2.877 -5.037 -0.327 583 HB THR 71 HB THR 71 2.901 -4.688 2.140 584 HG1 THR 71 HG1 THR 71 2.539 -2.468 0.386 585 HG21 THR 71 1HG2 THR 71 4.873 -2.438 1.570 586 HG22 THR 71 2HG2 THR 71 5.229 -3.910 2.478 587 HG23 THR 71 3HG2 THR 71 4.061 -2.747 3.109 588 H LEU 72 H LEU 72 6.289 -4.069 -0.069 589 HA LEU 72 HA LEU 72 6.054 -1.720 -1.666 590 HB2 LEU 72 2HB LEU 72 8.449 -3.454 -0.982 591 HB3 LEU 72 1HB LEU 72 8.590 -2.055 -2.035 592 HG LEU 72 HG LEU 72 7.738 -2.006 0.888 593 HD11 LEU 72 1HD1 LEU 72 10.278 -1.000 -0.433 594 HD12 LEU 72 2HD1 LEU 72 10.133 -2.413 0.615 595 HD13 LEU 72 3HD1 LEU 72 9.847 -0.803 1.271 596 HD21 LEU 72 1HD2 LEU 72 8.045 0.305 -1.061 597 HD22 LEU 72 2HD2 LEU 72 7.760 0.455 0.673 598 HD23 LEU 72 3HD2 LEU 72 6.534 -0.280 -0.356 599 H ASP 73 H ASP 73 6.779 -5.125 -2.419 600 HA ASP 73 HA ASP 73 7.279 -4.841 -5.201 601 HB2 ASP 73 2HB ASP 73 7.855 -6.925 -3.966 602 HB3 ASP 73 1HB ASP 73 6.151 -7.247 -3.676 603 H ASN 74 H ASN 74 4.330 -5.669 -3.392 604 HA ASN 74 HA ASN 74 2.652 -6.020 -5.656 605 HB2 ASN 74 2HB ASN 74 1.929 -5.578 -2.735 606 HB3 ASN 74 1HB ASN 74 0.793 -6.086 -3.982 607 HD21 ASN 74 1HD2 ASN 74 2.827 -7.899 -5.260 608 HD22 ASN 74 2HD2 ASN 74 2.910 -9.252 -4.197 609 H GLU 75 H GLU 75 3.307 -3.289 -3.517 610 HA GLU 75 HA GLU 75 1.160 -1.664 -4.552 611 HB2 GLU 75 2HB GLU 75 1.989 -1.399 -2.219 612 HB3 GLU 75 1HB GLU 75 3.528 -0.820 -2.850 613 HG2 GLU 75 2HG GLU 75 2.161 1.017 -4.034 614 HG3 GLU 75 1HG GLU 75 0.819 0.514 -3.010 615 H GLN 76 H GLN 76 4.645 -2.009 -5.194 616 HA GLN 76 HA GLN 76 4.892 0.258 -6.899 617 HB2 GLN 76 2HB GLN 76 6.786 -1.115 -5.873 618 HB3 GLN 76 1HB GLN 76 6.496 -2.321 -7.122 619 HG2 GLN 76 2HG GLN 76 6.996 -0.612 -8.848 620 HG3 GLN 76 1HG GLN 76 7.308 0.566 -7.573 621 HE21 GLN 76 1HE2 GLN 76 9.436 0.884 -8.192 622 HE22 GLN 76 2HE2 GLN 76 10.669 -0.301 -7.967 623 H LEU 77 H LEU 77 4.083 -3.141 -7.434 624 HA LEU 77 HA LEU 77 3.528 -3.030 -10.209 625 HB2 LEU 77 2HB LEU 77 2.672 -4.884 -7.971 626 HB3 LEU 77 1HB LEU 77 2.066 -5.109 -9.602 627 HG LEU 77 HG LEU 77 5.039 -5.110 -8.947 628 HD11 LEU 77 1HD1 LEU 77 3.216 -7.523 -9.202 629 HD12 LEU 77 2HD1 LEU 77 3.967 -6.945 -7.711 630 HD13 LEU 77 3HD1 LEU 77 4.975 -7.554 -9.021 631 HD21 LEU 77 1HD2 LEU 77 4.443 -4.631 -11.294 632 HD22 LEU 77 2HD2 LEU 77 3.514 -6.137 -11.363 633 HD23 LEU 77 3HD2 LEU 77 5.268 -6.180 -11.128 634 H LEU 78 H LEU 78 1.553 -2.349 -7.322 635 HA LEU 78 HA LEU 78 -0.964 -2.038 -8.554 636 HB2 LEU 78 2HB LEU 78 0.225 -1.179 -5.946 637 HB3 LEU 78 1HB LEU 78 -1.158 -0.244 -6.463 638 HG LEU 78 HG LEU 78 -1.231 -3.274 -6.183 639 HD11 LEU 78 1HD1 LEU 78 -2.144 -1.215 -4.150 640 HD12 LEU 78 2HD1 LEU 78 -0.747 -2.281 -3.986 641 HD13 LEU 78 3HD1 LEU 78 -2.371 -2.967 -4.045 642 HD21 LEU 78 1HD2 LEU 78 -3.674 -2.921 -6.194 643 HD22 LEU 78 2HD2 LEU 78 -2.926 -2.361 -7.685 644 HD23 LEU 78 3HD2 LEU 78 -3.426 -1.195 -6.455 645 H LYS 79 H LYS 79 1.278 0.601 -7.533 646 HA LYS 79 HA LYS 79 -0.217 2.570 -8.894 647 HB2 LYS 79 2HB LYS 79 1.665 4.145 -8.375 648 HB3 LYS 79 1HB LYS 79 0.980 3.317 -6.987 649 HG2 LYS 79 2HG LYS 79 2.917 1.777 -6.963 650 HG3 LYS 79 1HG LYS 79 3.616 2.653 -8.328 651 HD2 LYS 79 2HD LYS 79 3.918 4.644 -7.026 652 HD3 LYS 79 1HD LYS 79 2.905 4.040 -5.713 653 HE2 LYS 79 2HE LYS 79 5.572 2.837 -6.514 654 HE3 LYS 79 1HE LYS 79 5.352 3.999 -5.206 655 HZ1 LYS 79 1HZ LYS 79 3.972 1.366 -5.296 656 HZ2 LYS 79 2HZ LYS 79 4.055 2.442 -3.986 657 HZ3 LYS 79 3HZ LYS 79 5.439 1.625 -4.503 658 H GLY 80 H GLY 80 2.481 0.579 -9.948 659 HA2 GLY 80 2HA GLY 80 3.132 1.977 -12.333 660 HA3 GLY 80 1HA GLY 80 3.357 0.258 -12.046 661 H LEU 81 H LEU 81 1.044 -0.884 -11.878 662 HA LEU 81 HA LEU 81 -0.007 -1.028 -14.466 663 HB2 LEU 81 2HB LEU 81 -0.114 -2.900 -12.950 664 HB3 LEU 81 1HB LEU 81 -1.093 -2.012 -11.807 665 HG LEU 81 HG LEU 81 -2.269 -2.477 -14.555 666 HD11 LEU 81 1HD1 LEU 81 -1.325 -4.673 -14.041 667 HD12 LEU 81 2HD1 LEU 81 -3.086 -4.705 -13.969 668 HD13 LEU 81 3HD1 LEU 81 -2.145 -4.676 -12.474 669 HD21 LEU 81 1HD2 LEU 81 -4.385 -2.691 -13.310 670 HD22 LEU 81 2HD2 LEU 81 -3.562 -1.192 -12.885 671 HD23 LEU 81 3HD2 LEU 81 -3.511 -2.565 -11.778 672 H LEU 82 H LEU 82 -1.397 0.447 -11.560 673 HA LEU 82 HA LEU 82 -3.830 1.305 -12.655 674 HB2 LEU 82 2HB LEU 82 -2.275 2.186 -10.212 675 HB3 LEU 82 1HB LEU 82 -3.870 2.824 -10.586 676 HG LEU 82 HG LEU 82 -3.381 -0.157 -10.243 677 HD11 LEU 82 1HD1 LEU 82 -2.677 0.966 -8.182 678 HD12 LEU 82 2HD1 LEU 82 -4.160 0.046 -7.943 679 HD13 LEU 82 3HD1 LEU 82 -4.230 1.804 -8.097 680 HD21 LEU 82 1HD2 LEU 82 -5.793 -0.217 -9.843 681 HD22 LEU 82 2HD2 LEU 82 -5.439 0.487 -11.420 682 HD23 LEU 82 3HD2 LEU 82 -5.895 1.532 -10.069 683 H GLN 83 H GLN 83 -0.683 2.984 -12.317 684 HA GLN 83 HA GLN 83 -1.490 5.503 -13.299 685 HB2 GLN 83 2HB GLN 83 0.721 5.102 -12.279 686 HB3 GLN 83 1HB GLN 83 1.168 4.069 -13.630 687 HG2 GLN 83 2HG GLN 83 0.836 6.154 -15.111 688 HG3 GLN 83 1HG GLN 83 0.800 7.069 -13.600 689 HE21 GLN 83 1HE2 GLN 83 2.723 5.070 -15.684 690 HE22 GLN 83 2HE2 GLN 83 4.266 5.502 -15.029 691 H GLN 84 H GLN 84 -0.289 2.588 -14.958 692 HA GLN 84 HA GLN 84 -0.364 3.528 -17.620 693 HB2 GLN 84 2HB GLN 84 0.871 1.496 -16.913 694 HB3 GLN 84 1HB GLN 84 -0.643 0.682 -16.567 695 HG2 GLN 84 2HG GLN 84 0.169 -0.164 -18.651 696 HG3 GLN 84 1HG GLN 84 -1.223 0.854 -19.008 697 HE21 GLN 84 1HE2 GLN 84 1.035 0.007 -20.716 698 HE22 GLN 84 2HE2 GLN 84 1.728 1.467 -21.329 699 H ARG 85 H ARG 85 -2.858 2.032 -15.585 700 HA ARG 85 HA ARG 85 -4.717 1.545 -17.733 701 HB2 ARG 85 2HB ARG 85 -5.273 1.574 -14.733 702 HB3 ARG 85 1HB ARG 85 -6.365 0.969 -15.973 703 HG2 ARG 85 2HG ARG 85 -3.716 -0.209 -15.123 704 HG3 ARG 85 1HG ARG 85 -5.317 -0.901 -14.899 705 HD2 ARG 85 2HD ARG 85 -3.901 -0.497 -17.548 706 HD3 ARG 85 1HD ARG 85 -4.091 -2.028 -16.698 707 HE ARG 85 HE ARG 85 -6.196 -0.497 -18.073 708 HH11 ARG 85 1HH1 ARG 85 -5.227 -3.484 -16.465 709 HH12 ARG 85 2HH1 ARG 85 -6.631 -4.357 -16.982 710 HH21 ARG 85 1HH2 ARG 85 -8.017 -1.662 -18.753 711 HH22 ARG 85 2HH2 ARG 85 -8.212 -3.321 -18.281 712 H LEU 86 H LEU 86 -4.520 3.919 -15.079 713 HA LEU 86 HA LEU 86 -6.708 5.521 -15.880 714 HB2 LEU 86 2HB LEU 86 -4.265 6.211 -14.206 715 HB3 LEU 86 1HB LEU 86 -5.623 7.305 -14.432 716 HG LEU 86 HG LEU 86 -5.787 4.582 -13.080 717 HD11 LEU 86 1HD1 LEU 86 -4.487 6.186 -11.751 718 HD12 LEU 86 2HD1 LEU 86 -6.023 5.804 -10.981 719 HD13 LEU 86 3HD1 LEU 86 -5.820 7.344 -11.823 720 HD21 LEU 86 1HD2 LEU 86 -7.903 5.170 -14.153 721 HD22 LEU 86 2HD2 LEU 86 -7.900 6.749 -13.360 722 HD23 LEU 86 3HD2 LEU 86 -8.052 5.274 -12.399 723 H ASP 87 H ASP 87 -3.374 5.373 -16.957 724 HA ASP 87 HA ASP 87 -3.230 7.840 -18.357 725 HB2 ASP 87 2HB ASP 87 -1.223 6.402 -17.892 726 HB3 ASP 87 1HB ASP 87 -1.827 5.205 -19.027 727 H GLU 88 H GLU 88 -4.109 4.527 -19.353 728 HA GLU 88 HA GLU 88 -4.933 5.019 -21.992 729 HB2 GLU 88 2HB GLU 88 -5.973 2.925 -20.026 730 HB3 GLU 88 1HB GLU 88 -6.265 2.901 -21.765 731 HG2 GLU 88 2HG GLU 88 -3.888 2.617 -22.208 732 HG3 GLU 88 1HG GLU 88 -3.520 2.767 -20.491 733 H LEU 89 H LEU 89 -6.970 4.686 -19.086 734 HA LEU 89 HA LEU 89 -9.457 5.227 -20.110 735 HB2 LEU 89 2HB LEU 89 -8.428 5.815 -17.302 736 HB3 LEU 89 1HB LEU 89 -10.127 5.822 -17.750 737 HG LEU 89 HG LEU 89 -8.286 3.401 -17.795 738 HD11 LEU 89 1HD1 LEU 89 -10.572 4.068 -15.919 739 HD12 LEU 89 2HD1 LEU 89 -8.852 4.047 -15.520 740 HD13 LEU 89 3HD1 LEU 89 -9.670 2.548 -15.950 741 HD21 LEU 89 1HD2 LEU 89 -11.241 3.552 -18.456 742 HD22 LEU 89 2HD2 LEU 89 -10.271 2.079 -18.351 743 HD23 LEU 89 3HD2 LEU 89 -9.928 3.268 -19.603 744 H SER 90 H SER 90 -7.212 7.592 -18.607 745 HA SER 90 HA SER 90 -8.952 9.824 -18.944 746 HB2 SER 90 2HB SER 90 -5.938 9.797 -18.494 747 HB3 SER 90 1HB SER 90 -6.983 11.213 -18.357 748 HG SER 90 HG SER 90 -6.637 9.104 -16.615 749 H SER 91 H SER 91 -6.276 8.494 -20.924 750 HA SER 91 HA SER 91 -6.172 10.474 -22.923 751 HB2 SER 91 2HB SER 91 -4.493 8.670 -22.754 752 HB3 SER 91 1HB SER 91 -5.704 7.475 -23.202 753 HG SER 91 HG SER 91 -5.753 8.271 -25.250 754 H LEU 92 H LEU 92 -8.421 7.788 -22.429 755 HA LEU 92 HA LEU 92 -9.773 7.992 -24.952 756 HB2 LEU 92 2HB LEU 92 -10.859 6.784 -22.380 757 HB3 LEU 92 1HB LEU 92 -11.422 6.456 -24.010 758 HG LEU 92 HG LEU 92 -8.779 5.604 -22.793 759 HD11 LEU 92 1HD1 LEU 92 -9.589 3.315 -23.095 760 HD12 LEU 92 2HD1 LEU 92 -11.137 3.937 -23.673 761 HD13 LEU 92 3HD1 LEU 92 -10.618 4.252 -22.014 762 HD21 LEU 92 1HD2 LEU 92 -9.717 5.148 -25.635 763 HD22 LEU 92 2HD2 LEU 92 -8.285 4.435 -24.885 764 HD23 LEU 92 3HD2 LEU 92 -8.377 6.177 -25.116 765 H ILE 93 H ILE 93 -10.416 9.191 -21.660 766 HA ILE 93 HA ILE 93 -13.077 10.147 -22.257 767 HB ILE 93 HB ILE 93 -11.344 10.439 -19.763 768 HG12 ILE 93 2HG1 ILE 93 -13.714 8.575 -20.224 769 HG13 ILE 93 1HG1 ILE 93 -12.041 8.088 -20.455 770 HG21 ILE 93 1HG2 ILE 93 -13.414 11.056 -18.543 771 HG22 ILE 93 2HG2 ILE 93 -14.307 11.062 -20.065 772 HG23 ILE 93 3HG2 ILE 93 -13.021 12.240 -19.793 773 HD11 ILE 93 1HD1 ILE 93 -13.260 8.995 -17.852 774 HD12 ILE 93 2HD1 ILE 93 -11.584 8.495 -18.098 775 HD13 ILE 93 3HD1 ILE 93 -12.891 7.336 -18.322 776 H GLY 94 H GLY 94 -10.030 11.844 -21.250 777 HA2 GLY 94 2HA GLY 94 -10.716 14.204 -22.807 778 HA3 GLY 94 1HA GLY 94 -10.861 14.429 -21.066 779 H GLN 95 H GLN 95 -8.510 12.489 -22.800 780 HA GLN 95 HA GLN 95 -6.307 12.453 -23.095 781 HB2 GLN 95 2HB GLN 95 -6.603 14.601 -24.246 782 HB3 GLN 95 1HB GLN 95 -6.417 15.469 -22.727 783 HG2 GLN 95 2HG GLN 95 -4.365 15.589 -24.068 784 HG3 GLN 95 1HG GLN 95 -4.082 14.717 -22.562 785 HE21 GLN 95 1HE2 GLN 95 -2.289 13.624 -23.341 786 HE22 GLN 95 2HE2 GLN 95 -2.388 12.383 -24.542 787 H VAL 96 H VAL 96 -4.546 11.905 -21.949 788 HA VAL 96 HA VAL 96 -4.435 12.470 -19.064 789 HB VAL 96 HB VAL 96 -4.290 10.106 -19.720 790 HG11 VAL 96 1HG1 VAL 96 -3.360 10.359 -21.975 791 HG12 VAL 96 2HG1 VAL 96 -2.418 9.201 -21.033 792 HG13 VAL 96 3HG1 VAL 96 -1.798 10.834 -21.296 793 HG21 VAL 96 1HG2 VAL 96 -1.617 11.102 -18.655 794 HG22 VAL 96 2HG2 VAL 96 -2.222 9.449 -18.523 795 HG23 VAL 96 3HG2 VAL 96 -3.060 10.763 -17.693 796 H LEU 97 H LEU 97 -2.505 13.316 -18.093 797 HA LEU 97 HA LEU 97 -0.876 15.025 -19.802 798 HB2 LEU 97 2HB LEU 97 -1.027 14.738 -16.780 799 HB3 LEU 97 1HB LEU 97 0.129 15.781 -17.581 800 HG LEU 97 HG LEU 97 -1.826 17.067 -18.574 801 HD11 LEU 97 1HD1 LEU 97 -4.035 16.867 -17.534 802 HD12 LEU 97 2HD1 LEU 97 -3.485 15.465 -16.610 803 HD13 LEU 97 3HD1 LEU 97 -3.580 15.383 -18.372 804 HD21 LEU 97 1HD2 LEU 97 -1.621 17.034 -15.549 805 HD22 LEU 97 2HD2 LEU 97 -2.261 18.354 -16.534 806 HD23 LEU 97 3HD2 LEU 97 -0.560 17.908 -16.658 807 H PHE 98 H PHE 98 0.046 13.175 -20.904 808 HA PHE 98 HA PHE 98 1.565 11.640 -21.448 809 HB2 PHE 98 2HB PHE 98 3.986 12.370 -21.047 810 HB3 PHE 98 1HB PHE 98 2.937 13.463 -21.915 811 HD1 PHE 98 HD1 PHE 98 4.995 13.034 -18.916 812 HD2 PHE 98 HD2 PHE 98 2.146 15.582 -20.848 813 HE1 PHE 98 HE1 PHE 98 5.608 14.879 -17.407 814 HE2 PHE 98 HE2 PHE 98 2.763 17.411 -19.323 815 HZ PHE 98 HZ PHE 98 4.490 17.063 -17.603 816 H GLN 99 H GLN 99 2.875 12.347 -18.218 817 HA GLN 99 HA GLN 99 2.244 9.723 -17.221 818 HB2 GLN 99 2HB GLN 99 4.382 9.295 -18.462 819 HB3 GLN 99 1HB GLN 99 5.186 10.534 -17.515 820 HG2 GLN 99 2HG GLN 99 3.917 8.161 -16.148 821 HG3 GLN 99 1HG GLN 99 5.500 8.002 -16.897 822 HE21 GLN 99 1HE2 GLN 99 4.835 7.710 -14.111 823 HE22 GLN 99 2HE2 GLN 99 5.743 8.894 -13.247 824 H GLY 100 H GLY 100 1.252 10.467 -15.431 825 HA2 GLY 100 2HA GLY 100 2.603 11.831 -13.325 826 HA3 GLY 100 1HA GLY 100 1.576 12.954 -14.213 827 HA PRO 101 HA PRO 101 -1.319 9.589 -12.029 828 HB2 PRO 101 2HB PRO 101 -0.143 8.348 -9.852 829 HB3 PRO 101 1HB PRO 101 -0.123 7.659 -11.487 830 HG2 PRO 101 2HG PRO 101 2.029 9.213 -10.079 831 HG3 PRO 101 1HG PRO 101 2.161 7.721 -11.043 832 HD2 PRO 101 2HD PRO 101 2.780 10.125 -12.103 833 HD3 PRO 101 1HD PRO 101 2.012 8.854 -13.080 834 H SER 102 H SER 102 1.169 11.164 -10.014 835 HA SER 102 HA SER 102 -0.597 11.980 -7.913 836 HB2 SER 102 2HB SER 102 2.228 12.915 -8.578 837 HB3 SER 102 1HB SER 102 1.390 13.167 -7.044 838 HG SER 102 HG SER 102 2.794 11.031 -7.857 839 H ALA 103 H ALA 103 0.084 13.221 -11.015 840 HA ALA 103 HA ALA 103 -0.233 16.023 -10.584 841 HB1 ALA 103 1HB ALA 103 -0.578 14.399 -13.134 842 HB2 ALA 103 2HB ALA 103 0.926 15.127 -12.564 843 HB3 ALA 103 3HB ALA 103 -0.423 16.159 -13.042 844 H GLY 104 H GLY 104 -2.493 13.366 -10.908 845 HA2 GLY 104 2HA GLY 104 -4.766 13.389 -10.386 846 HA3 GLY 104 1HA GLY 104 -4.767 15.146 -10.434 847 H LEU 105 H LEU 105 -6.276 12.721 -11.854 848 HA LEU 105 HA LEU 105 -6.110 13.774 -14.621 849 HB2 LEU 105 2HB LEU 105 -6.626 10.902 -13.753 850 HB3 LEU 105 1HB LEU 105 -6.615 11.474 -15.415 851 HG LEU 105 HG LEU 105 -4.203 11.436 -13.546 852 HD11 LEU 105 1HD1 LEU 105 -4.826 9.182 -14.235 853 HD12 LEU 105 2HD1 LEU 105 -3.315 9.668 -14.999 854 HD13 LEU 105 3HD1 LEU 105 -4.816 9.667 -15.934 855 HD21 LEU 105 1HD2 LEU 105 -2.872 12.071 -15.526 856 HD22 LEU 105 2HD2 LEU 105 -4.045 13.314 -15.100 857 HD23 LEU 105 3HD2 LEU 105 -4.355 12.246 -16.471 858 H VAL 106 H VAL 106 -8.019 13.688 -15.896 859 HA VAL 106 HA VAL 106 -10.075 14.426 -16.369 860 HB VAL 106 HB VAL 106 -11.010 12.685 -14.048 861 HG11 VAL 106 1HG1 VAL 106 -13.232 12.708 -15.147 862 HG12 VAL 106 2HG1 VAL 106 -12.628 13.852 -16.349 863 HG13 VAL 106 3HG1 VAL 106 -12.740 14.331 -14.653 864 HG21 VAL 106 1HG2 VAL 106 -9.776 11.398 -15.756 865 HG22 VAL 106 2HG2 VAL 106 -10.828 12.041 -17.020 866 HG23 VAL 106 3HG2 VAL 106 -11.490 10.979 -15.774 867 HA PRO 107 HA PRO 107 -9.820 17.856 -13.302 868 HB2 PRO 107 2HB PRO 107 -9.749 19.918 -15.046 869 HB3 PRO 107 1HB PRO 107 -8.347 18.843 -14.848 870 HG2 PRO 107 2HG PRO 107 -10.452 18.802 -16.993 871 HG3 PRO 107 1HG PRO 107 -8.686 18.675 -17.152 872 HD2 PRO 107 2HD PRO 107 -10.357 16.485 -17.144 873 HD3 PRO 107 1HD PRO 107 -8.662 16.424 -16.615 874 H ARG 108 H ARG 108 -12.356 16.874 -15.307 875 HA ARG 108 HA ARG 108 -14.165 19.121 -14.800 876 HB2 ARG 108 2HB ARG 108 -14.199 18.027 -17.003 877 HB3 ARG 108 1HB ARG 108 -14.561 16.475 -16.250 878 HG2 ARG 108 2HG ARG 108 -16.744 17.361 -15.482 879 HG3 ARG 108 1HG ARG 108 -16.375 18.913 -16.242 880 HD2 ARG 108 2HD ARG 108 -16.728 16.244 -17.637 881 HD3 ARG 108 1HD ARG 108 -17.840 17.616 -17.697 882 HE ARG 108 HE ARG 108 -15.624 18.738 -18.655 883 HH11 ARG 108 1HH1 ARG 108 -17.078 15.652 -19.513 884 HH12 ARG 108 2HH1 ARG 108 -16.473 15.687 -21.137 885 HH21 ARG 108 1HH2 ARG 108 -14.807 18.752 -20.774 886 HH22 ARG 108 2HH2 ARG 108 -15.183 17.442 -21.853 887 H GLY 109 H GLY 109 -15.495 19.176 -13.083 888 HA2 GLY 109 2HA GLY 109 -15.670 17.179 -11.070 889 HA3 GLY 109 1HA GLY 109 -16.663 18.621 -11.206 890 H SER 110 H SER 110 -16.584 15.250 -11.528 891 HA SER 110 HA SER 110 -19.399 15.109 -12.372 892 HB2 SER 110 2HB SER 110 -17.149 13.488 -13.659 893 HB3 SER 110 1HB SER 110 -18.871 13.267 -13.978 894 HG SER 110 HG SER 110 -18.469 15.788 -14.408 895 H GLY 111 H GLY 111 -20.413 13.973 -10.816 896 HA2 GLY 111 2HA GLY 111 -19.036 12.508 -8.763 897 HA3 GLY 111 1HA GLY 111 -20.769 12.708 -8.934 898 H GLY 112 H GLY 112 -18.011 10.895 -10.220 899 HA2 GLY 112 2HA GLY 112 -19.001 8.327 -9.877 900 HA3 GLY 112 1HA GLY 112 -19.515 8.817 -11.489 901 H ILE 113 H ILE 113 -17.859 9.456 -13.039 902 HA ILE 113 HA ILE 113 -15.602 7.747 -13.147 903 HB ILE 113 HB ILE 113 -16.220 10.235 -14.807 904 HG12 ILE 113 2HG1 ILE 113 -16.688 7.279 -15.420 905 HG13 ILE 113 1HG1 ILE 113 -17.933 8.467 -15.047 906 HG21 ILE 113 1HG2 ILE 113 -14.155 8.069 -15.347 907 HG22 ILE 113 2HG2 ILE 113 -13.814 9.740 -14.896 908 HG23 ILE 113 3HG2 ILE 113 -14.572 9.386 -16.447 909 HD11 ILE 113 1HD1 ILE 113 -17.858 8.013 -17.415 910 HD12 ILE 113 2HD1 ILE 113 -16.154 8.464 -17.482 911 HD13 ILE 113 3HD1 ILE 113 -17.377 9.680 -17.102 912 H GLU 114 H GLU 114 -15.840 11.302 -12.733 913 HA GLU 114 HA GLU 114 -13.102 11.746 -12.191 914 HB2 GLU 114 2HB GLU 114 -14.411 13.589 -12.946 915 HB3 GLU 114 1HB GLU 114 -15.605 13.375 -11.685 916 HG2 GLU 114 2HG GLU 114 -12.795 14.134 -10.916 917 HG3 GLU 114 1HG GLU 114 -13.855 15.360 -11.597 918 H GLY 115 H GLY 115 -15.860 10.938 -10.109 919 HA2 GLY 115 2HA GLY 115 -14.704 11.167 -7.567 920 HA3 GLY 115 1HA GLY 115 -15.914 9.973 -8.010 921 H MET1001 H MET 1 -14.665 8.450 -9.822 922 HA MET1001 HA MET 1 -13.114 6.632 -8.313 923 HB2 MET1001 2HB MET 1 -14.538 5.863 -10.140 924 HB3 MET1001 1HB MET 1 -13.656 6.839 -11.304 925 HG2 MET1001 2HG MET 1 -11.629 5.405 -10.846 926 HG3 MET1001 1HG MET 1 -12.663 4.368 -9.862 927 HE1 MET1001 1HE MET 1 -11.986 5.770 -13.505 928 HE2 MET1001 2HE MET 1 -13.667 6.232 -13.231 929 HE3 MET1001 3HE MET 1 -13.275 4.987 -14.417 930 H THR1002 H THR 2 -12.194 8.927 -10.920 931 HA THR1002 HA THR 2 -9.487 8.033 -11.080 932 HB THR1002 HB THR 2 -9.120 10.093 -12.499 933 HG1 THR1002 HG1 THR 2 -10.511 11.657 -12.305 934 HG21 THR1002 1HG2 THR 2 -9.863 7.983 -13.540 935 HG22 THR1002 2HG2 THR 2 -10.553 9.380 -14.372 936 HG23 THR1002 3HG2 THR 2 -11.550 8.433 -13.265 937 H THR1003 H THR 3 -11.054 10.849 -9.520 938 HA THR1003 HA THR 3 -8.737 12.061 -8.497 939 HB THR1003 HB THR 3 -11.568 12.133 -7.379 940 HG1 THR1003 HG1 THR 3 -11.852 13.342 -9.065 941 HG21 THR1003 1HG2 THR 3 -9.960 12.858 -5.645 942 HG22 THR1003 2HG2 THR 3 -10.878 14.237 -6.254 943 HG23 THR1003 3HG2 THR 3 -9.218 13.977 -6.793 944 H ARG1004 H ARG 4 -10.960 9.635 -7.012 945 HA ARG1004 HA ARG 4 -9.632 9.257 -4.582 946 HB2 ARG1004 2HB ARG 4 -11.333 7.408 -6.272 947 HB3 ARG1004 1HB ARG 4 -10.496 6.747 -4.872 948 HG2 ARG1004 2HG ARG 4 -11.646 8.535 -3.483 949 HG3 ARG1004 1HG ARG 4 -12.635 8.891 -4.900 950 HD2 ARG1004 2HD ARG 4 -13.600 6.678 -4.868 951 HD3 ARG1004 1HD ARG 4 -12.435 6.119 -3.663 952 HE ARG1004 HE ARG 4 -14.806 7.771 -3.208 953 HH11 ARG1004 1HH1 ARG 4 -11.893 6.332 -1.837 954 HH12 ARG1004 2HH1 ARG 4 -12.443 6.495 -0.197 955 HH21 ARG1004 1HH2 ARG 4 -15.513 7.963 -1.059 956 HH22 ARG1004 2HH2 ARG 4 -14.502 7.422 0.239 957 H LEU1005 H LEU 5 -9.096 7.587 -7.686 958 HA LEU1005 HA LEU 5 -7.085 5.846 -6.701 959 HB2 LEU1005 2HB LEU 5 -8.006 6.518 -9.504 960 HB3 LEU1005 1HB LEU 5 -6.653 5.436 -9.229 961 HG LEU1005 HG LEU 5 -9.513 4.967 -8.297 962 HD11 LEU1005 1HD1 LEU 5 -7.922 3.571 -10.468 963 HD12 LEU1005 2HD1 LEU 5 -9.258 4.697 -10.716 964 HD13 LEU1005 3HD1 LEU 5 -9.554 3.146 -9.935 965 HD21 LEU1005 1HD2 LEU 5 -7.080 3.171 -7.981 966 HD22 LEU1005 2HD2 LEU 5 -8.744 2.737 -7.580 967 HD23 LEU1005 3HD2 LEU 5 -7.932 4.016 -6.684 968 H THR1006 H THR 6 -6.872 9.043 -8.280 969 HA THR1006 HA THR 6 -4.025 8.890 -8.726 970 HB THR1006 HB THR 6 -4.175 11.368 -9.207 971 HG1 THR1006 HG1 THR 6 -6.982 11.033 -8.909 972 HG21 THR1006 1HG2 THR 6 -4.473 9.714 -11.025 973 HG22 THR1006 2HG2 THR 6 -5.471 11.148 -11.288 974 HG23 THR1006 3HG2 THR 6 -6.207 9.658 -10.690 975 H ARG1007 H ARG 7 -6.116 10.386 -6.277 976 HA ARG1007 HA ARG 7 -4.144 11.424 -4.541 977 HB2 ARG1007 2HB ARG 7 -6.942 10.336 -4.033 978 HB3 ARG1007 1HB ARG 7 -5.956 10.987 -2.730 979 HG2 ARG1007 2HG ARG 7 -6.739 12.577 -5.191 980 HG3 ARG1007 1HG ARG 7 -7.657 12.572 -3.684 981 HD2 ARG1007 2HD ARG 7 -4.790 13.504 -4.039 982 HD3 ARG1007 1HD ARG 7 -6.206 14.522 -3.751 983 HE ARG1007 HE ARG 7 -5.311 12.493 -1.791 984 HH11 ARG1007 1HH1 ARG 7 -6.217 15.849 -2.442 985 HH12 ARG1007 2HH1 ARG 7 -6.168 16.289 -0.765 986 HH21 ARG1007 1HH2 ARG 7 -5.266 13.096 0.359 987 HH22 ARG1007 2HH2 ARG 7 -5.629 14.728 0.823 988 H TRP1008 H TRP 8 -5.560 8.239 -4.889 989 HA TRP1008 HA TRP 8 -4.311 6.935 -2.719 990 HB2 TRP1008 2HB TRP 8 -6.148 5.727 -3.412 991 HB3 TRP1008 1HB TRP 8 -5.961 6.195 -5.082 992 HD1 TRP1008 HD1 TRP 8 -4.532 4.594 -6.664 993 HE1 TRP1008 HE1 TRP 8 -3.906 2.133 -6.441 994 HE3 TRP1008 HE3 TRP 8 -5.486 3.917 -1.699 995 HZ2 TRP1008 HZ2 TRP 8 -3.847 0.135 -4.507 996 HZ3 TRP1008 HZ3 TRP 8 -5.137 1.682 -0.743 997 HH2 TRP1008 HH2 TRP 8 -4.330 -0.170 -2.119 998 H LEU1009 H LEU 9 -3.366 7.381 -6.153 999 HA LEU1009 HA LEU 9 -1.081 5.659 -6.039 1000 HB2 LEU1009 2HB LEU 9 -1.778 7.849 -8.037 1001 HB3 LEU1009 1HB LEU 9 -0.416 6.757 -8.217 1002 HG LEU1009 HG LEU 9 -3.359 6.018 -8.311 1003 HD11 LEU1009 1HD1 LEU 9 -1.221 5.844 -10.438 1004 HD12 LEU1009 2HD1 LEU 9 -2.536 7.020 -10.370 1005 HD13 LEU1009 3HD1 LEU 9 -2.899 5.311 -10.604 1006 HD21 LEU1009 1HD2 LEU 9 -2.176 4.256 -7.119 1007 HD22 LEU1009 2HD2 LEU 9 -1.000 4.140 -8.429 1008 HD23 LEU1009 3HD2 LEU 9 -2.688 3.713 -8.714 1009 H THR1010 H THR 10 -1.547 9.132 -5.476 1010 HA THR1010 HA THR 10 1.265 9.702 -5.235 1011 HB THR1010 HB THR 10 -0.497 11.459 -5.809 1012 HG1 THR1010 HG1 THR 10 1.755 11.805 -4.897 1013 HG21 THR1010 1HG2 THR 10 -1.560 12.687 -3.959 1014 HG22 THR1010 2HG2 THR 10 -0.969 11.483 -2.814 1015 HG23 THR1010 3HG2 THR 10 -2.150 11.026 -4.040 1016 H ALA1011 H ALA 11 -1.308 8.682 -3.052 1017 HA ALA1011 HA ALA 11 0.168 8.904 -0.607 1018 HB1 ALA1011 1HB ALA 11 -2.287 8.816 -0.651 1019 HB2 ALA1011 2HB ALA 11 -1.629 7.510 0.340 1020 HB3 ALA1011 3HB ALA 11 -2.229 7.171 -1.287 1021 H LEU1012 H LEU 12 -0.136 6.414 -3.105 1022 HA LEU1012 HA LEU 12 1.191 4.302 -1.718 1023 HB2 LEU1012 2HB LEU 12 0.949 4.762 -4.727 1024 HB3 LEU1012 1HB LEU 12 1.543 3.290 -3.983 1025 HG LEU1012 HG LEU 12 -1.291 4.332 -4.092 1026 HD11 LEU1012 1HD1 LEU 12 -1.793 2.124 -5.006 1027 HD12 LEU1012 2HD1 LEU 12 -0.100 1.652 -4.834 1028 HD13 LEU1012 3HD1 LEU 12 -0.549 2.945 -5.948 1029 HD21 LEU1012 1HD2 LEU 12 -1.007 3.751 -1.760 1030 HD22 LEU1012 2HD2 LEU 12 -0.299 2.190 -2.185 1031 HD23 LEU1012 3HD2 LEU 12 -1.996 2.528 -2.553 1032 H ASP1013 H ASP 13 2.218 6.755 -4.047 1033 HA ASP1013 HA ASP 13 4.961 6.126 -4.191 1034 HB2 ASP1013 2HB ASP 13 3.762 7.563 -5.842 1035 HB3 ASP1013 1HB ASP 13 3.585 8.822 -4.627 1036 H ASN1014 H ASN 14 3.093 8.226 -2.043 1037 HA ASN1014 HA ASN 14 5.203 9.407 -0.579 1038 HB2 ASN1014 2HB ASN 14 3.044 10.435 -0.425 1039 HB3 ASN1014 1HB ASN 14 2.273 8.932 0.079 1040 HD21 ASN1014 1HD2 ASN 14 2.401 8.310 2.240 1041 HD22 ASN1014 2HD2 ASN 14 2.983 9.356 3.486 1042 H PHE1015 H PHE 15 3.275 6.445 -0.016 1043 HA PHE1015 HA PHE 15 4.393 5.749 2.476 1044 HB2 PHE1015 2HB PHE 15 2.367 4.637 1.883 1045 HB3 PHE1015 1HB PHE 15 3.002 4.121 0.326 1046 HD1 PHE1015 HD1 PHE 15 3.745 1.936 0.108 1047 HD2 PHE1015 HD2 PHE 15 3.641 3.605 4.017 1048 HE1 PHE1015 HE1 PHE 15 4.331 -0.240 1.028 1049 HE2 PHE1015 HE2 PHE 15 4.248 1.411 4.957 1050 HZ PHE1015 HZ PHE 15 4.589 -0.522 3.463 1051 H GLU1016 H GLU 16 5.106 4.425 -0.780 1052 HA GLU1016 HA GLU 16 7.224 2.792 -0.101 1053 HB2 GLU1016 2HB GLU 16 6.042 2.736 -2.279 1054 HB3 GLU1016 1HB GLU 16 6.809 4.252 -2.744 1055 HG2 GLU1016 2HG GLU 16 8.989 3.214 -2.799 1056 HG3 GLU1016 1HG GLU 16 8.362 1.731 -2.085 1057 H ALA1017 H ALA 17 7.334 6.223 -1.081 1058 HA ALA1017 HA ALA 17 10.143 6.530 -1.125 1059 HB1 ALA1017 1HB ALA 17 8.600 8.123 -2.201 1060 HB2 ALA1017 2HB ALA 17 9.720 8.941 -1.107 1061 HB3 ALA1017 3HB ALA 17 8.046 8.660 -0.615 1062 H LYS1018 H LYS 18 7.789 7.455 1.423 1063 HA LYS1018 HA LYS 18 9.757 8.470 3.235 1064 HB2 LYS1018 2HB LYS 18 7.221 9.070 2.964 1065 HB3 LYS1018 1HB LYS 18 6.916 7.692 3.999 1066 HG2 LYS1018 2HG LYS 18 8.591 10.099 4.792 1067 HG3 LYS1018 1HG LYS 18 6.871 9.924 5.138 1068 HD2 LYS1018 2HD LYS 18 7.585 7.713 6.352 1069 HD3 LYS1018 1HD LYS 18 9.211 8.400 6.312 1070 HE2 LYS1018 2HE LYS 18 8.165 8.926 8.441 1071 HE3 LYS1018 1HE LYS 18 8.324 10.418 7.512 1072 HZ1 LYS1018 1HZ LYS 18 5.856 8.776 7.724 1073 HZ2 LYS1018 2HZ LYS 18 6.005 10.223 6.873 1074 HZ3 LYS1018 3HZ LYS 18 6.145 10.218 8.557 1075 H MET1019 H MET 19 8.178 5.340 2.845 1076 HA MET1019 HA MET 19 9.160 4.310 5.345 1077 HB2 MET1019 2HB MET 19 7.983 2.372 4.979 1078 HB3 MET1019 1HB MET 19 7.029 3.499 4.043 1079 HG2 MET1019 2HG MET 19 7.470 2.430 2.076 1080 HG3 MET1019 1HG MET 19 9.145 2.092 2.503 1081 HE1 MET1019 1HE MET 19 8.531 0.727 5.447 1082 HE2 MET1019 2HE MET 19 9.802 0.197 4.339 1083 HE3 MET1019 3HE MET 19 8.633 -0.963 4.968 1084 H ALA1020 H ALA 20 10.271 4.367 1.997 1085 HA ALA1020 HA ALA 20 12.601 2.760 2.404 1086 HB1 ALA1020 1HB ALA 20 11.811 3.352 0.145 1087 HB2 ALA1020 2HB ALA 20 13.484 3.869 0.382 1088 HB3 ALA1020 3HB ALA 20 12.175 5.054 0.452 1089 H LEU1021 H LEU 21 11.782 6.129 3.091 1090 HA LEU1021 HA LEU 21 14.405 6.968 3.889 1091 HB2 LEU1021 2HB LEU 21 11.708 8.175 4.615 1092 HB3 LEU1021 1HB LEU 21 13.264 8.937 4.899 1093 HG LEU1021 HG LEU 21 11.988 8.377 2.198 1094 HD11 LEU1021 1HD1 LEU 21 10.994 10.277 3.364 1095 HD12 LEU1021 2HD1 LEU 21 11.896 10.804 1.948 1096 HD13 LEU1021 3HD1 LEU 21 12.587 11.018 3.559 1097 HD21 LEU1021 1HD2 LEU 21 13.914 9.526 1.179 1098 HD22 LEU1021 2HD2 LEU 21 14.393 8.041 1.993 1099 HD23 LEU1021 3HD2 LEU 21 14.709 9.603 2.755 1100 H LEU1022 H LEU 22 11.811 5.230 5.576 1101 HA LEU1022 HA LEU 22 12.635 5.398 8.231 1102 HB2 LEU1022 2HB LEU 22 11.739 2.900 6.741 1103 HB3 LEU1022 1HB LEU 22 11.957 2.953 8.481 1104 HG LEU1022 HG LEU 22 9.897 4.548 6.906 1105 HD11 LEU1022 1HD1 LEU 22 9.358 2.161 6.987 1106 HD12 LEU1022 2HD1 LEU 22 8.243 3.086 7.989 1107 HD13 LEU1022 3HD1 LEU 22 9.541 2.157 8.745 1108 HD21 LEU1022 1HD2 LEU 22 8.984 5.198 9.085 1109 HD22 LEU1022 2HD2 LEU 22 10.632 5.788 8.885 1110 HD23 LEU1022 3HD2 LEU 22 10.318 4.379 9.904 1111 HA PRO1023 HA PRO 23 16.814 3.554 7.746 1112 HB2 PRO1023 2HB PRO 23 18.082 4.981 9.624 1113 HB3 PRO1023 1HB PRO 23 17.447 5.794 8.178 1114 HG2 PRO1023 2HG PRO 23 16.357 5.794 10.957 1115 HG3 PRO1023 1HG PRO 23 16.349 7.087 9.741 1116 HD2 PRO1023 2HD PRO 23 14.214 5.262 10.301 1117 HD3 PRO1023 1HD PRO 23 14.295 6.437 8.970 1118 H ALA1024 H ALA 24 14.577 2.344 9.448 1119 HA ALA1024 HA ALA 24 16.227 0.994 11.523 1120 HB1 ALA1024 1HB ALA 24 14.181 0.735 12.869 1121 HB2 ALA1024 2HB ALA 24 13.243 1.583 11.635 1122 HB3 ALA1024 3HB ALA 24 14.495 2.440 12.536 1123 H VAL1025 H VAL 25 13.353 0.623 9.457 1124 HA VAL1025 HA VAL 25 14.086 -2.136 8.771 1125 HB VAL1025 HB VAL 25 11.637 -2.813 8.869 1126 HG11 VAL1025 1HG1 VAL 25 12.865 -2.081 11.552 1127 HG12 VAL1025 2HG1 VAL 25 13.165 -3.557 10.633 1128 HG13 VAL1025 3HG1 VAL 25 11.560 -3.246 11.297 1129 HG21 VAL1025 1HG2 VAL 25 11.286 -0.244 10.462 1130 HG22 VAL1025 2HG2 VAL 25 10.068 -1.509 10.263 1131 HG23 VAL1025 3HG2 VAL 25 10.609 -0.579 8.865 Start of MODEL 12 1 H1 MET 1 1H MET 1 4.325 -8.743 25.138 2 H2 MET 1 2H MET 1 2.805 -8.390 24.490 3 H3 MET 1 3H MET 1 3.721 -7.173 25.211 4 HA MET 1 HA MET 1 5.384 -7.317 23.526 5 HB2 MET 1 2HB MET 1 5.223 -8.853 21.656 6 HB3 MET 1 1HB MET 1 5.019 -9.796 23.123 7 HG2 MET 1 2HG MET 1 2.828 -8.944 21.219 8 HG3 MET 1 1HG MET 1 3.490 -10.568 21.401 9 HE1 MET 1 1HE MET 1 0.865 -11.397 21.639 10 HE2 MET 1 2HE MET 1 0.346 -9.715 21.511 11 HE3 MET 1 3HE MET 1 -0.224 -10.716 22.846 12 H THR 2 H THR 2 3.184 -5.621 24.244 13 HA THR 2 HA THR 2 1.107 -5.342 22.418 14 HB THR 2 HB THR 2 2.315 -3.133 24.134 15 HG1 THR 2 HG1 THR 2 0.235 -5.007 24.713 16 HG21 THR 2 1HG2 THR 2 0.713 -2.225 22.477 17 HG22 THR 2 2HG2 THR 2 0.031 -2.154 24.102 18 HG23 THR 2 3HG2 THR 2 -0.495 -3.411 22.981 19 H SER 3 H SER 3 4.154 -3.417 22.510 20 HA SER 3 HA SER 3 3.646 -1.831 20.226 21 HB2 SER 3 2HB SER 3 6.144 -1.441 20.253 22 HB3 SER 3 1HB SER 3 5.375 -1.196 21.821 23 HG SER 3 HG SER 3 7.393 -2.767 21.298 24 H THR 4 H THR 4 5.261 -4.928 20.649 25 HA THR 4 HA THR 4 6.350 -5.314 18.100 26 HB THR 4 HB THR 4 5.474 -7.396 20.154 27 HG1 THR 4 HG1 THR 4 8.057 -6.981 20.294 28 HG21 THR 4 1HG2 THR 4 7.559 -7.575 17.949 29 HG22 THR 4 2HG2 THR 4 6.024 -8.444 17.989 30 HG23 THR 4 3HG2 THR 4 7.272 -8.798 19.186 31 H VAL 5 H VAL 5 3.379 -6.794 19.482 32 HA VAL 5 HA VAL 5 2.503 -8.071 17.155 33 HB VAL 5 HB VAL 5 1.704 -8.775 19.388 34 HG11 VAL 5 1HG1 VAL 5 1.458 -6.592 20.480 35 HG12 VAL 5 2HG1 VAL 5 -0.019 -7.545 20.635 36 HG13 VAL 5 3HG1 VAL 5 0.065 -6.224 19.464 37 HG21 VAL 5 1HG2 VAL 5 -0.678 -9.181 18.840 38 HG22 VAL 5 2HG2 VAL 5 0.355 -9.422 17.431 39 HG23 VAL 5 3HG2 VAL 5 -0.598 -7.947 17.575 40 H GLU 6 H GLU 6 1.809 -4.845 18.471 41 HA GLU 6 HA GLU 6 -0.320 -4.078 16.789 42 HB2 GLU 6 2HB GLU 6 0.410 -2.950 18.893 43 HB3 GLU 6 1HB GLU 6 1.855 -2.368 18.080 44 HG2 GLU 6 2HG GLU 6 0.481 -0.987 16.595 45 HG3 GLU 6 1HG GLU 6 -0.989 -1.616 17.343 46 H PHE 7 H PHE 7 3.175 -3.570 16.512 47 HA PHE 7 HA PHE 7 3.199 -2.067 14.108 48 HB2 PHE 7 2HB PHE 7 4.966 -2.074 15.859 49 HB3 PHE 7 1HB PHE 7 5.375 -3.731 15.443 50 HD1 PHE 7 HD1 PHE 7 7.409 -3.883 14.315 51 HD2 PHE 7 HD2 PHE 7 4.886 -0.510 13.537 52 HE1 PHE 7 HE1 PHE 7 9.067 -2.993 12.744 53 HE2 PHE 7 HE2 PHE 7 6.559 0.372 11.966 54 HZ PHE 7 HZ PHE 7 8.655 -0.867 11.573 55 H ILE 8 H ILE 8 3.781 -5.510 14.782 56 HA ILE 8 HA ILE 8 4.407 -6.334 12.125 57 HB ILE 8 HB ILE 8 3.568 -7.943 14.584 58 HG12 ILE 8 2HG1 ILE 8 6.346 -7.511 13.379 59 HG13 ILE 8 1HG1 ILE 8 5.723 -6.663 14.791 60 HG21 ILE 8 1HG2 ILE 8 4.445 -9.955 13.478 61 HG22 ILE 8 2HG2 ILE 8 4.783 -9.025 12.018 62 HG23 ILE 8 3HG2 ILE 8 3.117 -9.264 12.541 63 HD11 ILE 8 1HD1 ILE 8 6.206 -9.630 14.586 64 HD12 ILE 8 2HD1 ILE 8 5.574 -8.776 15.997 65 HD13 ILE 8 3HD1 ILE 8 7.212 -8.452 15.429 66 H ASN 9 H ASN 9 1.368 -6.156 13.976 67 HA ASN 9 HA ASN 9 -0.233 -7.595 12.050 68 HB2 ASN 9 2HB ASN 9 -0.968 -5.890 14.453 69 HB3 ASN 9 1HB ASN 9 -2.206 -6.437 13.329 70 HD21 ASN 9 1HD2 ASN 9 0.663 -8.253 14.447 71 HD22 ASN 9 2HD2 ASN 9 -0.248 -9.493 15.230 72 H ARG 10 H ARG 10 0.561 -4.185 12.584 73 HA ARG 10 HA ARG 10 -1.168 -3.091 10.617 74 HB2 ARG 10 2HB ARG 10 1.489 -2.109 11.727 75 HB3 ARG 10 1HB ARG 10 0.588 -1.204 10.512 76 HG2 ARG 10 2HG ARG 10 -1.314 -0.983 12.023 77 HG3 ARG 10 1HG ARG 10 -0.492 -1.956 13.246 78 HD2 ARG 10 2HD ARG 10 1.238 -0.255 13.489 79 HD3 ARG 10 1HD ARG 10 0.532 0.691 12.172 80 HE ARG 10 HE ARG 10 -1.515 0.819 13.681 81 HH11 ARG 10 1HH1 ARG 10 1.751 0.707 14.947 82 HH12 ARG 10 2HH1 ARG 10 1.340 1.557 16.403 83 HH21 ARG 10 1HH2 ARG 10 -2.045 1.877 15.632 84 HH22 ARG 10 2HH2 ARG 10 -0.794 2.218 16.788 85 H TRP 11 H TRP 11 2.281 -4.072 10.411 86 HA TRP 11 HA TRP 11 2.567 -3.740 7.631 87 HB2 TRP 11 2HB TRP 11 4.086 -5.384 9.676 88 HB3 TRP 11 1HB TRP 11 4.476 -5.537 7.966 89 HD1 TRP 11 HD1 TRP 11 5.572 -3.641 10.867 90 HE1 TRP 11 HE1 TRP 11 6.854 -1.536 10.160 91 HE3 TRP 11 HE3 TRP 11 4.250 -3.444 5.932 92 HZ2 TRP 11 HZ2 TRP 11 7.265 0.033 7.871 93 HZ3 TRP 11 HZ3 TRP 11 5.122 -1.603 4.551 94 HH2 TRP 11 HH2 TRP 11 6.594 0.098 5.509 95 H GLN 12 H GLN 12 1.341 -6.446 9.519 96 HA GLN 12 HA GLN 12 1.220 -8.431 7.528 97 HB2 GLN 12 2HB GLN 12 0.872 -8.877 9.964 98 HB3 GLN 12 1HB GLN 12 -0.659 -8.013 9.902 99 HG2 GLN 12 2HG GLN 12 -1.511 -9.724 8.289 100 HG3 GLN 12 1HG GLN 12 0.014 -10.598 8.461 101 HE21 GLN 12 1HE2 GLN 12 -1.023 -12.443 9.290 102 HE22 GLN 12 2HE2 GLN 12 -1.708 -12.489 10.877 103 H ARG 13 H ARG 13 -1.195 -6.055 8.647 104 HA ARG 13 HA ARG 13 -3.246 -6.627 6.846 105 HB2 ARG 13 2HB ARG 13 -2.513 -4.075 8.330 106 HB3 ARG 13 1HB ARG 13 -3.902 -4.130 7.248 107 HG2 ARG 13 2HG ARG 13 -4.863 -5.974 8.612 108 HG3 ARG 13 1HG ARG 13 -3.505 -5.835 9.730 109 HD2 ARG 13 2HD ARG 13 -4.192 -3.656 10.438 110 HD3 ARG 13 1HD ARG 13 -5.336 -3.495 9.098 111 HE ARG 13 HE ARG 13 -5.761 -5.615 11.100 112 HH11 ARG 13 1HH1 ARG 13 -6.840 -2.560 9.716 113 HH12 ARG 13 2HH1 ARG 13 -8.400 -2.628 10.477 114 HH21 ARG 13 1HH2 ARG 13 -7.852 -5.734 12.015 115 HH22 ARG 13 2HH2 ARG 13 -8.971 -4.429 11.778 116 H ILE 14 H ILE 14 -0.509 -4.352 6.515 117 HA ILE 14 HA ILE 14 -1.351 -3.164 4.077 118 HB ILE 14 HB ILE 14 1.450 -3.333 5.286 119 HG12 ILE 14 2HG1 ILE 14 -0.614 -1.095 5.467 120 HG13 ILE 14 1HG1 ILE 14 -0.315 -2.275 6.736 121 HG21 ILE 14 1HG2 ILE 14 1.567 -2.699 2.895 122 HG22 ILE 14 2HG2 ILE 14 2.029 -1.356 3.933 123 HG23 ILE 14 3HG2 ILE 14 0.432 -1.383 3.182 124 HD11 ILE 14 1HD1 ILE 14 0.773 -0.212 7.247 125 HD12 ILE 14 2HD1 ILE 14 1.633 -0.228 5.707 126 HD13 ILE 14 3HD1 ILE 14 1.987 -1.451 6.933 127 H ALA 15 H ALA 15 0.747 -5.974 4.750 128 HA ALA 15 HA ALA 15 1.560 -6.439 2.050 129 HB1 ALA 15 1HB ALA 15 2.324 -8.632 2.854 130 HB2 ALA 15 2HB ALA 15 1.444 -8.393 4.371 131 HB3 ALA 15 3HB ALA 15 2.806 -7.347 3.961 132 H LEU 16 H LEU 16 -1.023 -7.824 4.084 133 HA LEU 16 HA LEU 16 -2.053 -9.669 2.191 134 HB2 LEU 16 2HB LEU 16 -3.448 -8.369 4.569 135 HB3 LEU 16 1HB LEU 16 -4.067 -9.750 3.677 136 HG LEU 16 HG LEU 16 -1.572 -9.695 5.419 137 HD11 LEU 16 1HD1 LEU 16 -3.642 -9.726 6.710 138 HD12 LEU 16 2HD1 LEU 16 -2.797 -11.263 6.859 139 HD13 LEU 16 3HD1 LEU 16 -4.214 -11.136 5.812 140 HD21 LEU 16 1HD2 LEU 16 -2.666 -12.015 3.800 141 HD22 LEU 16 2HD2 LEU 16 -1.351 -12.103 4.973 142 HD23 LEU 16 3HD2 LEU 16 -1.154 -11.151 3.507 143 H LEU 17 H LEU 17 -2.836 -6.315 2.952 144 HA LEU 17 HA LEU 17 -5.187 -6.113 1.351 145 HB2 LEU 17 2HB LEU 17 -3.411 -4.056 2.702 146 HB3 LEU 17 1HB LEU 17 -4.697 -3.541 1.624 147 HG LEU 17 HG LEU 17 -5.204 -5.261 4.090 148 HD11 LEU 17 1HD1 LEU 17 -5.489 -2.244 3.859 149 HD12 LEU 17 2HD1 LEU 17 -4.251 -3.096 4.784 150 HD13 LEU 17 3HD1 LEU 17 -5.944 -3.238 5.249 151 HD21 LEU 17 1HD2 LEU 17 -7.105 -3.648 2.349 152 HD22 LEU 17 2HD2 LEU 17 -7.541 -4.570 3.790 153 HD23 LEU 17 3HD2 LEU 17 -6.945 -5.409 2.362 154 H SER 18 H SER 18 -1.773 -5.045 0.842 155 HA SER 18 HA SER 18 -2.153 -3.940 -1.728 156 HB2 SER 18 2HB SER 18 0.320 -4.191 -1.998 157 HB3 SER 18 1HB SER 18 -0.111 -3.483 -0.440 158 HG SER 18 HG SER 18 0.836 -5.084 0.488 159 H GLN 19 H GLN 19 -1.410 -7.236 -0.662 160 HA GLN 19 HA GLN 19 -1.031 -8.452 -3.184 161 HB2 GLN 19 2HB GLN 19 -0.415 -9.445 -0.958 162 HB3 GLN 19 1HB GLN 19 -2.121 -9.724 -0.634 163 HG2 GLN 19 2HG GLN 19 -2.229 -11.260 -2.566 164 HG3 GLN 19 1HG GLN 19 -0.521 -10.969 -2.891 165 HE21 GLN 19 1HE2 GLN 19 -2.006 -11.398 0.316 166 HE22 GLN 19 2HE2 GLN 19 -1.191 -12.873 0.682 167 H SER 20 H SER 20 -3.949 -8.218 -1.129 168 HA SER 20 HA SER 20 -5.784 -9.566 -2.765 169 HB2 SER 20 2HB SER 20 -6.288 -7.295 -0.786 170 HB3 SER 20 1HB SER 20 -7.533 -8.348 -1.457 171 HG SER 20 HG SER 20 -5.868 -8.781 0.619 172 H LEU 21 H LEU 21 -5.269 -6.088 -2.400 173 HA LEU 21 HA LEU 21 -6.948 -5.100 -4.369 174 HB2 LEU 21 2HB LEU 21 -4.396 -3.925 -3.195 175 HB3 LEU 21 1HB LEU 21 -5.527 -3.012 -4.183 176 HG LEU 21 HG LEU 21 -6.310 -4.305 -1.534 177 HD11 LEU 21 1HD1 LEU 21 -4.564 -2.635 -1.096 178 HD12 LEU 21 2HD1 LEU 21 -6.125 -2.098 -0.483 179 HD13 LEU 21 3HD1 LEU 21 -5.485 -1.418 -1.980 180 HD21 LEU 21 1HD2 LEU 21 -7.693 -2.196 -3.212 181 HD22 LEU 21 2HD2 LEU 21 -8.241 -2.802 -1.649 182 HD23 LEU 21 3HD2 LEU 21 -8.185 -3.884 -3.035 183 H LEU 22 H LEU 22 -3.605 -6.289 -4.577 184 HA LEU 22 HA LEU 22 -3.037 -5.412 -7.211 185 HB2 LEU 22 2HB LEU 22 -1.242 -6.203 -5.753 186 HB3 LEU 22 1HB LEU 22 -1.962 -7.803 -5.665 187 HG LEU 22 HG LEU 22 -1.476 -8.183 -8.068 188 HD11 LEU 22 1HD1 LEU 22 -1.675 -5.905 -8.910 189 HD12 LEU 22 2HD1 LEU 22 -0.118 -6.595 -9.360 190 HD13 LEU 22 3HD1 LEU 22 -0.214 -5.425 -8.041 191 HD21 LEU 22 1HD2 LEU 22 0.984 -7.250 -6.560 192 HD22 LEU 22 2HD2 LEU 22 0.946 -8.380 -7.917 193 HD23 LEU 22 3HD2 LEU 22 0.206 -8.826 -6.382 194 H GLU 23 H GLU 23 -4.290 -8.521 -5.957 195 HA GLU 23 HA GLU 23 -4.609 -9.921 -8.369 196 HB2 GLU 23 2HB GLU 23 -6.349 -10.063 -5.865 197 HB3 GLU 23 1HB GLU 23 -6.339 -11.268 -7.152 198 HG2 GLU 23 2HG GLU 23 -4.030 -11.858 -6.636 199 HG3 GLU 23 1HG GLU 23 -3.944 -10.585 -5.419 200 H LEU 24 H LEU 24 -6.862 -7.865 -6.602 201 HA LEU 24 HA LEU 24 -9.105 -7.990 -8.268 202 HB2 LEU 24 2HB LEU 24 -8.170 -5.721 -6.470 203 HB3 LEU 24 1HB LEU 24 -9.797 -5.890 -7.109 204 HG LEU 24 HG LEU 24 -8.500 -7.864 -5.189 205 HD11 LEU 24 1HD1 LEU 24 -10.467 -5.645 -4.578 206 HD12 LEU 24 2HD1 LEU 24 -8.775 -5.715 -4.085 207 HD13 LEU 24 3HD1 LEU 24 -9.926 -6.882 -3.441 208 HD21 LEU 24 1HD2 LEU 24 -10.745 -8.776 -4.878 209 HD22 LEU 24 2HD2 LEU 24 -10.261 -8.888 -6.569 210 HD23 LEU 24 3HD2 LEU 24 -11.398 -7.636 -6.057 211 H ALA 25 H ALA 25 -6.395 -5.658 -8.212 212 HA ALA 25 HA ALA 25 -7.321 -3.930 -10.256 213 HB1 ALA 25 1HB ALA 25 -4.464 -4.408 -9.338 214 HB2 ALA 25 2HB ALA 25 -5.602 -3.269 -8.622 215 HB3 ALA 25 3HB ALA 25 -5.045 -3.018 -10.275 216 H GLN 26 H GLN 26 -5.298 -6.835 -10.343 217 HA GLN 26 HA GLN 26 -4.554 -6.721 -13.089 218 HB2 GLN 26 2HB GLN 26 -4.746 -9.052 -11.137 219 HB3 GLN 26 1HB GLN 26 -4.113 -9.219 -12.769 220 HG2 GLN 26 2HG GLN 26 -2.925 -7.377 -10.674 221 HG3 GLN 26 1HG GLN 26 -2.371 -9.020 -10.973 222 HE21 GLN 26 1HE2 GLN 26 -0.846 -6.572 -11.191 223 HE22 GLN 26 2HE2 GLN 26 -0.295 -6.468 -12.821 224 H ARG 27 H ARG 27 -7.310 -8.134 -11.346 225 HA ARG 27 HA ARG 27 -8.445 -9.434 -13.678 226 HB2 ARG 27 2HB ARG 27 -9.703 -8.956 -10.935 227 HB3 ARG 27 1HB ARG 27 -10.349 -10.004 -12.191 228 HG2 ARG 27 2HG ARG 27 -7.822 -10.415 -10.580 229 HG3 ARG 27 1HG ARG 27 -9.298 -11.374 -10.527 230 HD2 ARG 27 2HD ARG 27 -7.372 -11.190 -12.870 231 HD3 ARG 27 1HD ARG 27 -7.509 -12.537 -11.740 232 HE ARG 27 HE ARG 27 -9.969 -12.533 -12.646 233 HH11 ARG 27 1HH1 ARG 27 -7.028 -12.115 -14.541 234 HH12 ARG 27 2HH1 ARG 27 -7.713 -12.800 -15.981 235 HH21 ARG 27 1HH2 ARG 27 -10.854 -13.449 -14.541 236 HH22 ARG 27 2HH2 ARG 27 -9.885 -13.555 -15.976 237 H GLY 28 H GLY 28 -8.516 -6.240 -12.471 238 HA2 GLY 28 2HA GLY 28 -9.401 -4.408 -13.679 239 HA3 GLY 28 1HA GLY 28 -10.589 -5.463 -14.425 240 H GLU 29 H GLU 29 -10.439 -6.092 -11.162 241 HA GLU 29 HA GLU 29 -12.939 -4.847 -10.512 242 HB2 GLU 29 2HB GLU 29 -12.438 -7.041 -9.627 243 HB3 GLU 29 1HB GLU 29 -10.938 -6.475 -8.905 244 HG2 GLU 29 2HG GLU 29 -12.677 -6.831 -7.215 245 HG3 GLU 29 1HG GLU 29 -12.166 -5.147 -7.274 246 H TRP 30 H TRP 30 -12.769 -2.635 -10.521 247 HA TRP 30 HA TRP 30 -10.616 -1.236 -9.107 248 HB2 TRP 30 2HB TRP 30 -12.934 0.030 -10.621 249 HB3 TRP 30 1HB TRP 30 -11.394 0.775 -10.191 250 HD1 TRP 30 HD1 TRP 30 -13.012 -0.440 -13.138 251 HE1 TRP 30 HE1 TRP 30 -11.361 -1.256 -14.919 252 HE3 TRP 30 HE3 TRP 30 -8.792 -0.845 -10.244 253 HZ2 TRP 30 HZ2 TRP 30 -8.660 -1.980 -15.093 254 HZ3 TRP 30 HZ3 TRP 30 -6.710 -1.608 -11.308 255 HH2 TRP 30 HH2 TRP 30 -6.656 -2.171 -13.689 256 H ASP 31 H ASP 31 -13.996 -1.975 -8.633 257 HA ASP 31 HA ASP 31 -14.740 0.220 -6.989 258 HB2 ASP 31 2HB ASP 31 -16.464 -1.011 -8.154 259 HB3 ASP 31 1HB ASP 31 -15.976 -2.530 -7.414 260 H LEU 32 H LEU 32 -13.517 -3.030 -6.214 261 HA LEU 32 HA LEU 32 -13.753 -2.696 -3.362 262 HB2 LEU 32 2HB LEU 32 -12.131 -4.723 -4.942 263 HB3 LEU 32 1HB LEU 32 -12.409 -4.780 -3.207 264 HG LEU 32 HG LEU 32 -14.512 -5.123 -5.384 265 HD11 LEU 32 1HD1 LEU 32 -14.715 -7.417 -4.498 266 HD12 LEU 32 2HD1 LEU 32 -13.384 -7.101 -3.379 267 HD13 LEU 32 3HD1 LEU 32 -13.099 -7.085 -5.121 268 HD21 LEU 32 1HD2 LEU 32 -14.922 -5.184 -2.381 269 HD22 LEU 32 2HD2 LEU 32 -16.133 -5.564 -3.607 270 HD23 LEU 32 3HD2 LEU 32 -15.496 -3.927 -3.481 271 H LEU 33 H LEU 33 -11.311 -1.827 -5.731 272 HA LEU 33 HA LEU 33 -9.208 -1.267 -3.860 273 HB2 LEU 33 2HB LEU 33 -9.721 -0.496 -6.731 274 HB3 LEU 33 1HB LEU 33 -8.572 0.474 -5.825 275 HG LEU 33 HG LEU 33 -7.195 -1.537 -5.380 276 HD11 LEU 33 1HD1 LEU 33 -9.170 -3.029 -7.107 277 HD12 LEU 33 2HD1 LEU 33 -8.889 -3.263 -5.381 278 HD13 LEU 33 3HD1 LEU 33 -7.619 -3.651 -6.539 279 HD21 LEU 33 1HD2 LEU 33 -6.311 -1.831 -7.642 280 HD22 LEU 33 2HD2 LEU 33 -6.698 -0.141 -7.329 281 HD23 LEU 33 3HD2 LEU 33 -7.778 -1.120 -8.326 282 H LEU 34 H LEU 34 -11.792 0.672 -5.328 283 HA LEU 34 HA LEU 34 -11.288 3.116 -4.008 284 HB2 LEU 34 2HB LEU 34 -13.884 1.966 -5.113 285 HB3 LEU 34 1HB LEU 34 -13.699 3.634 -4.590 286 HG LEU 34 HG LEU 34 -12.150 2.362 -6.888 287 HD11 LEU 34 1HD1 LEU 34 -14.507 4.273 -7.029 288 HD12 LEU 34 2HD1 LEU 34 -14.532 2.557 -7.446 289 HD13 LEU 34 3HD1 LEU 34 -13.558 3.676 -8.395 290 HD21 LEU 34 1HD2 LEU 34 -11.450 4.659 -7.433 291 HD22 LEU 34 2HD2 LEU 34 -10.890 4.178 -5.834 292 HD23 LEU 34 3HD2 LEU 34 -12.273 5.264 -5.992 293 H GLN 35 H GLN 35 -13.044 0.215 -2.982 294 HA GLN 35 HA GLN 35 -14.299 1.436 -0.684 295 HB2 GLN 35 2HB GLN 35 -15.185 -0.609 -1.915 296 HB3 GLN 35 1HB GLN 35 -13.868 -1.540 -1.212 297 HG2 GLN 35 2HG GLN 35 -15.925 -1.890 0.049 298 HG3 GLN 35 1HG GLN 35 -14.734 -1.065 1.053 299 HE21 GLN 35 1HE2 GLN 35 -16.738 0.513 -1.438 300 HE22 GLN 35 2HE2 GLN 35 -17.665 1.452 -0.326 301 H GLN 36 H GLN 36 -11.576 -0.833 -1.105 302 HA GLN 36 HA GLN 36 -10.875 -0.820 1.698 303 HB2 GLN 36 2HB GLN 36 -9.718 -2.200 -0.745 304 HB3 GLN 36 1HB GLN 36 -8.952 -2.322 0.838 305 HG2 GLN 36 2HG GLN 36 -10.824 -3.458 1.783 306 HG3 GLN 36 1HG GLN 36 -11.867 -3.045 0.428 307 HE21 GLN 36 1HE2 GLN 36 -10.153 -3.807 -1.705 308 HE22 GLN 36 2HE2 GLN 36 -10.010 -5.529 -1.664 309 H GLU 37 H GLU 37 -10.120 1.229 -0.895 310 HA GLU 37 HA GLU 37 -7.584 2.154 -0.635 311 HB2 GLU 37 2HB GLU 37 -9.275 3.102 -2.189 312 HB3 GLU 37 1HB GLU 37 -10.083 3.896 -0.843 313 HG2 GLU 37 2HG GLU 37 -8.099 5.317 -0.475 314 HG3 GLU 37 1HG GLU 37 -7.255 4.481 -1.776 315 H VAL 38 H VAL 38 -10.301 3.207 1.444 316 HA VAL 38 HA VAL 38 -8.932 4.964 3.116 317 HB VAL 38 HB VAL 38 -11.366 4.937 3.095 318 HG11 VAL 38 1HG1 VAL 38 -11.264 2.197 4.391 319 HG12 VAL 38 2HG1 VAL 38 -11.777 2.549 2.742 320 HG13 VAL 38 3HG1 VAL 38 -12.726 3.150 4.102 321 HG21 VAL 38 1HG2 VAL 38 -10.303 5.792 5.163 322 HG22 VAL 38 2HG2 VAL 38 -10.402 4.184 5.884 323 HG23 VAL 38 3HG2 VAL 38 -11.879 5.071 5.501 324 H SER 39 H SER 39 -9.404 1.449 3.471 325 HA SER 39 HA SER 39 -8.356 1.261 6.114 326 HB2 SER 39 2HB SER 39 -8.686 -0.948 4.041 327 HB3 SER 39 1HB SER 39 -8.561 -1.150 5.791 328 HG SER 39 HG SER 39 -10.720 -0.397 4.250 329 H TYR 40 H TYR 40 -6.981 0.757 2.897 330 HA TYR 40 HA TYR 40 -4.523 -0.409 3.730 331 HB2 TYR 40 2HB TYR 40 -5.489 -0.730 1.456 332 HB3 TYR 40 1HB TYR 40 -5.205 0.971 1.097 333 HD1 TYR 40 HD1 TYR 40 -3.357 1.290 -0.348 334 HD2 TYR 40 HD2 TYR 40 -3.143 -1.869 2.521 335 HE1 TYR 40 HE1 TYR 40 -1.122 0.691 -1.169 336 HE2 TYR 40 HE2 TYR 40 -0.912 -2.454 1.693 337 HH TYR 40 HH TYR 40 0.902 -0.459 -0.343 338 H LEU 41 H LEU 41 -5.419 2.883 2.641 339 HA LEU 41 HA LEU 41 -2.822 4.006 2.971 340 HB2 LEU 41 2HB LEU 41 -5.526 5.401 2.839 341 HB3 LEU 41 1HB LEU 41 -3.969 6.203 2.699 342 HG LEU 41 HG LEU 41 -5.175 4.226 0.715 343 HD11 LEU 41 1HD1 LEU 41 -6.164 6.461 0.594 344 HD12 LEU 41 2HD1 LEU 41 -5.195 6.130 -0.839 345 HD13 LEU 41 3HD1 LEU 41 -4.562 7.187 0.426 346 HD21 LEU 41 1HD2 LEU 41 -3.190 4.624 -0.699 347 HD22 LEU 41 2HD2 LEU 41 -2.766 3.834 0.818 348 HD23 LEU 41 3HD2 LEU 41 -2.446 5.557 0.602 349 H GLN 42 H GLN 42 -5.618 3.660 5.109 350 HA GLN 42 HA GLN 42 -4.719 5.298 7.250 351 HB2 GLN 42 2HB GLN 42 -7.056 4.477 7.018 352 HB3 GLN 42 1HB GLN 42 -6.517 2.835 7.338 353 HG2 GLN 42 2HG GLN 42 -5.894 3.453 9.624 354 HG3 GLN 42 1HG GLN 42 -6.306 5.137 9.308 355 HE21 GLN 42 1HE2 GLN 42 -8.756 4.557 7.822 356 HE22 GLN 42 2HE2 GLN 42 -9.907 4.014 8.991 357 H SER 43 H SER 43 -4.288 1.828 6.525 358 HA SER 43 HA SER 43 -2.916 1.138 8.918 359 HB2 SER 43 2HB SER 43 -4.109 -0.469 7.353 360 HB3 SER 43 1HB SER 43 -2.743 -0.321 6.249 361 HG SER 43 HG SER 43 -1.416 -1.091 8.010 362 H ILE 44 H ILE 44 -1.852 2.106 5.696 363 HA ILE 44 HA ILE 44 0.934 2.023 5.932 364 HB ILE 44 HB ILE 44 -1.021 3.663 4.285 365 HG12 ILE 44 2HG1 ILE 44 1.110 1.618 3.516 366 HG13 ILE 44 1HG1 ILE 44 -0.617 1.309 3.643 367 HG21 ILE 44 1HG2 ILE 44 1.973 4.096 4.170 368 HG22 ILE 44 2HG2 ILE 44 0.758 5.276 4.658 369 HG23 ILE 44 3HG2 ILE 44 0.813 4.705 2.991 370 HD11 ILE 44 1HD1 ILE 44 0.721 3.112 1.627 371 HD12 ILE 44 2HD1 ILE 44 -1.018 2.827 1.759 372 HD13 ILE 44 3HD1 ILE 44 0.065 1.499 1.342 373 H GLU 45 H GLU 45 -1.363 4.641 6.668 374 HA GLU 45 HA GLU 45 0.516 6.621 7.383 375 HB2 GLU 45 2HB GLU 45 -1.860 7.078 6.726 376 HB3 GLU 45 1HB GLU 45 -2.400 6.370 8.246 377 HG2 GLU 45 2HG GLU 45 -1.035 8.165 9.438 378 HG3 GLU 45 1HG GLU 45 -0.796 8.920 7.862 379 H THR 46 H THR 46 -1.266 4.201 9.288 380 HA THR 46 HA THR 46 -0.421 5.299 11.824 381 HB THR 46 HB THR 46 -2.665 4.266 11.619 382 HG1 THR 46 HG1 THR 46 -0.966 3.911 13.610 383 HG21 THR 46 1HG2 THR 46 -2.158 2.412 10.099 384 HG22 THR 46 2HG2 THR 46 -2.940 1.823 11.566 385 HG23 THR 46 3HG2 THR 46 -1.199 1.627 11.354 386 H VAL 47 H VAL 47 0.786 2.720 9.682 387 HA VAL 47 HA VAL 47 2.576 1.659 11.705 388 HB VAL 47 HB VAL 47 1.714 0.400 9.572 389 HG11 VAL 47 1HG1 VAL 47 3.244 0.409 7.634 390 HG12 VAL 47 2HG1 VAL 47 4.155 1.738 8.351 391 HG13 VAL 47 3HG1 VAL 47 2.478 1.982 7.861 392 HG21 VAL 47 1HG2 VAL 47 3.233 -0.599 11.211 393 HG22 VAL 47 2HG2 VAL 47 4.619 0.153 10.412 394 HG23 VAL 47 3HG2 VAL 47 3.679 -1.083 9.571 395 H MET 48 H MET 48 2.736 4.087 9.179 396 HA MET 48 HA MET 48 5.576 4.529 9.318 397 HB2 MET 48 2HB MET 48 4.173 4.967 7.301 398 HB3 MET 48 1HB MET 48 3.368 6.278 8.145 399 HG2 MET 48 2HG MET 48 5.234 7.669 8.004 400 HG3 MET 48 1HG MET 48 6.355 6.320 7.819 401 HE1 MET 48 1HE MET 48 6.701 4.944 5.589 402 HE2 MET 48 2HE MET 48 5.778 5.218 4.115 403 HE3 MET 48 3HE MET 48 4.985 4.531 5.530 404 H GLU 49 H GLU 49 2.683 5.953 10.735 405 HA GLU 49 HA GLU 49 3.931 7.999 12.269 406 HB2 GLU 49 2HB GLU 49 1.488 7.938 11.762 407 HB3 GLU 49 1HB GLU 49 1.308 6.525 12.792 408 HG2 GLU 49 2HG GLU 49 0.546 8.542 13.943 409 HG3 GLU 49 1HG GLU 49 1.951 7.855 14.757 410 H LYS 50 H LYS 50 3.370 4.541 12.779 411 HA LYS 50 HA LYS 50 4.174 4.440 15.514 412 HB2 LYS 50 2HB LYS 50 2.879 2.603 14.345 413 HB3 LYS 50 1HB LYS 50 4.339 2.189 13.456 414 HG2 LYS 50 2HG LYS 50 4.032 0.651 15.332 415 HG3 LYS 50 1HG LYS 50 5.481 1.632 15.599 416 HD2 LYS 50 2HD LYS 50 4.196 3.114 17.113 417 HD3 LYS 50 1HD LYS 50 2.743 2.156 16.827 418 HE2 LYS 50 2HE LYS 50 3.892 0.193 17.864 419 HE3 LYS 50 1HE LYS 50 5.272 1.237 18.228 420 HZ1 LYS 50 1HZ LYS 50 2.491 1.644 19.209 421 HZ2 LYS 50 2HZ LYS 50 3.813 2.640 19.560 422 HZ3 LYS 50 3HZ LYS 50 3.782 1.046 20.123 423 H GLN 51 H GLN 51 5.993 5.792 15.545 424 HA GLN 51 HA GLN 51 8.388 5.234 14.096 425 HB2 GLN 51 2HB GLN 51 9.444 6.906 15.605 426 HB3 GLN 51 1HB GLN 51 7.984 7.507 14.836 427 HG2 GLN 51 2HG GLN 51 6.730 7.267 16.902 428 HG3 GLN 51 1HG GLN 51 8.094 6.485 17.689 429 HE21 GLN 51 1HE2 GLN 51 10.046 8.428 16.490 430 HE22 GLN 51 2HE2 GLN 51 9.824 9.875 17.409 431 H THR 52 H THR 52 9.294 3.361 14.390 432 HA THR 52 HA THR 52 9.314 1.992 16.988 433 HB THR 52 HB THR 52 9.918 0.983 14.169 434 HG1 THR 52 HG1 THR 52 7.736 1.501 14.446 435 HG21 THR 52 1HG2 THR 52 9.544 -0.603 16.744 436 HG22 THR 52 2HG2 THR 52 11.058 -0.421 15.856 437 HG23 THR 52 3HG2 THR 52 9.711 -1.286 15.121 438 HA PRO 53 HA PRO 53 13.634 3.186 17.631 439 HB2 PRO 53 2HB PRO 53 14.412 1.033 19.258 440 HB3 PRO 53 1HB PRO 53 13.525 2.459 19.831 441 HG2 PRO 53 2HG PRO 53 12.439 -0.227 19.033 442 HG3 PRO 53 1HG PRO 53 12.035 0.775 20.449 443 HD2 PRO 53 2HD PRO 53 10.409 0.748 18.340 444 HD3 PRO 53 1HD PRO 53 10.741 2.281 19.181 445 HA PRO 54 HA PRO 54 16.305 1.047 14.644 446 HB2 PRO 54 2HB PRO 54 18.394 1.412 16.817 447 HB3 PRO 54 1HB PRO 54 18.491 1.790 15.079 448 HG2 PRO 54 2HG PRO 54 18.127 3.756 16.800 449 HG3 PRO 54 1HG PRO 54 17.195 3.732 15.282 450 HD2 PRO 54 2HD PRO 54 16.294 2.995 18.062 451 HD3 PRO 54 1HD PRO 54 15.420 3.877 16.787 452 H GLY 55 H GLY 55 16.654 0.128 18.064 453 HA2 GLY 55 2HA GLY 55 17.775 -2.446 17.656 454 HA3 GLY 55 1HA GLY 55 17.052 -1.846 19.135 455 H ILE 56 H ILE 56 16.360 -3.374 16.046 456 HA ILE 56 HA ILE 56 13.973 -4.693 17.203 457 HB ILE 56 HB ILE 56 14.484 -3.609 14.411 458 HG12 ILE 56 2HG1 ILE 56 13.197 -2.216 16.026 459 HG13 ILE 56 1HG1 ILE 56 12.191 -2.696 14.662 460 HG21 ILE 56 1HG2 ILE 56 12.568 -4.887 13.504 461 HG22 ILE 56 2HG2 ILE 56 12.491 -5.826 14.997 462 HG23 ILE 56 3HG2 ILE 56 13.912 -5.935 13.959 463 HD11 ILE 56 1HD1 ILE 56 12.167 -3.955 17.408 464 HD12 ILE 56 2HD1 ILE 56 11.159 -4.451 16.047 465 HD13 ILE 56 3HD1 ILE 56 10.964 -2.845 16.750 466 H THR 57 H THR 57 14.334 -6.734 17.636 467 HA THR 57 HA THR 57 16.665 -8.188 17.040 468 HB THR 57 HB THR 57 15.288 -8.635 19.034 469 HG1 THR 57 HG1 THR 57 15.258 -10.978 18.820 470 HG21 THR 57 1HG2 THR 57 13.042 -8.319 18.024 471 HG22 THR 57 2HG2 THR 57 13.163 -9.854 18.897 472 HG23 THR 57 3HG2 THR 57 13.241 -9.835 17.133 473 H ARG 58 H ARG 58 16.773 -10.305 15.969 474 HA ARG 58 HA ARG 58 16.307 -10.146 13.236 475 HB2 ARG 58 2HB ARG 58 16.991 -12.542 14.991 476 HB3 ARG 58 1HB ARG 58 16.911 -12.659 13.238 477 HG2 ARG 58 2HG ARG 58 18.794 -10.837 14.778 478 HG3 ARG 58 1HG ARG 58 19.229 -12.390 14.063 479 HD2 ARG 58 2HD ARG 58 18.628 -11.469 11.808 480 HD3 ARG 58 1HD ARG 58 18.318 -9.905 12.570 481 HE ARG 58 HE ARG 58 20.939 -10.813 13.199 482 HH11 ARG 58 1HH1 ARG 58 19.117 -9.393 10.519 483 HH12 ARG 58 2HH1 ARG 58 20.522 -8.665 9.800 484 HH21 ARG 58 1HH2 ARG 58 22.764 -9.862 12.234 485 HH22 ARG 58 2HH2 ARG 58 22.592 -8.934 10.774 486 H SER 59 H SER 59 14.249 -11.587 15.720 487 HA SER 59 HA SER 59 12.552 -13.106 14.030 488 HB2 SER 59 2HB SER 59 11.941 -11.847 16.742 489 HB3 SER 59 1HB SER 59 11.004 -13.132 15.972 490 HG SER 59 HG SER 59 12.357 -14.474 16.832 491 H ILE 60 H ILE 60 12.023 -9.898 15.539 492 HA ILE 60 HA ILE 60 9.553 -9.326 14.269 493 HB ILE 60 HB ILE 60 11.554 -7.320 15.430 494 HG12 ILE 60 2HG1 ILE 60 9.179 -8.636 16.831 495 HG13 ILE 60 1HG1 ILE 60 10.859 -9.098 17.077 496 HG21 ILE 60 1HG2 ILE 60 9.604 -5.815 15.714 497 HG22 ILE 60 2HG2 ILE 60 8.565 -7.005 14.931 498 HG23 ILE 60 3HG2 ILE 60 9.850 -6.224 14.012 499 HD11 ILE 60 1HD1 ILE 60 11.336 -6.864 17.977 500 HD12 ILE 60 2HD1 ILE 60 10.066 -7.690 18.880 501 HD13 ILE 60 3HD1 ILE 60 9.644 -6.413 17.738 502 H GLN 61 H GLN 61 12.914 -8.459 13.550 503 HA GLN 61 HA GLN 61 12.527 -6.804 11.322 504 HB2 GLN 61 2HB GLN 61 14.666 -6.920 12.527 505 HB3 GLN 61 1HB GLN 61 14.898 -8.593 12.030 506 HG2 GLN 61 2HG GLN 61 15.118 -7.884 9.686 507 HG3 GLN 61 1HG GLN 61 14.811 -6.209 10.151 508 HE21 GLN 61 1HE2 GLN 61 16.450 -5.031 11.174 509 HE22 GLN 61 2HE2 GLN 61 18.090 -5.582 11.246 510 H ASP 62 H ASP 62 12.863 -10.348 11.572 511 HA ASP 62 HA ASP 62 13.040 -10.951 8.811 512 HB2 ASP 62 2HB ASP 62 13.610 -12.561 10.630 513 HB3 ASP 62 1HB ASP 62 11.912 -12.669 11.081 514 H MET 63 H MET 63 10.245 -10.954 11.031 515 HA MET 63 HA MET 63 8.342 -11.754 9.069 516 HB2 MET 63 2HB MET 63 7.955 -10.493 11.814 517 HB3 MET 63 1HB MET 63 6.653 -11.168 10.839 518 HG2 MET 63 2HG MET 63 7.659 -13.385 10.951 519 HG3 MET 63 1HG MET 63 9.049 -12.738 11.822 520 HE1 MET 63 1HE MET 63 7.509 -11.793 15.286 521 HE2 MET 63 2HE MET 63 7.871 -10.750 13.912 522 HE3 MET 63 3HE MET 63 9.007 -12.015 14.382 523 H VAL 64 H VAL 64 9.019 -8.570 10.552 524 HA VAL 64 HA VAL 64 7.121 -7.038 9.162 525 HB VAL 64 HB VAL 64 9.739 -6.301 10.536 526 HG11 VAL 64 1HG1 VAL 64 7.802 -4.346 9.253 527 HG12 VAL 64 2HG1 VAL 64 9.484 -4.613 8.798 528 HG13 VAL 64 3HG1 VAL 64 9.098 -3.899 10.364 529 HG21 VAL 64 1HG2 VAL 64 7.880 -7.008 11.991 530 HG22 VAL 64 2HG2 VAL 64 6.834 -5.776 11.280 531 HG23 VAL 64 3HG2 VAL 64 8.240 -5.296 12.234 532 H ALA 65 H ALA 65 10.583 -7.665 8.390 533 HA ALA 65 HA ALA 65 10.606 -6.110 6.009 534 HB1 ALA 65 1HB ALA 65 12.730 -7.209 5.477 535 HB2 ALA 65 2HB ALA 65 12.453 -8.396 6.757 536 HB3 ALA 65 3HB ALA 65 12.686 -6.694 7.163 537 H GLY 66 H GLY 66 9.683 -9.460 6.677 538 HA2 GLY 66 2HA GLY 66 9.415 -10.454 4.053 539 HA3 GLY 66 1HA GLY 66 8.426 -10.933 5.430 540 H TYR 67 H TYR 67 6.991 -8.865 6.123 541 HA TYR 67 HA TYR 67 4.938 -8.568 4.235 542 HB2 TYR 67 2HB TYR 67 5.574 -6.789 6.617 543 HB3 TYR 67 1HB TYR 67 4.039 -6.826 5.758 544 HD1 TYR 67 HD1 TYR 67 5.174 -7.582 8.774 545 HD2 TYR 67 HD2 TYR 67 3.443 -9.719 5.499 546 HE1 TYR 67 HE1 TYR 67 4.307 -9.259 10.329 547 HE2 TYR 67 HE2 TYR 67 2.575 -11.407 7.073 548 HH TYR 67 HH TYR 67 2.552 -10.923 10.474 549 H ILE 68 H ILE 68 7.738 -6.590 4.944 550 HA ILE 68 HA ILE 68 7.081 -4.217 3.555 551 HB ILE 68 HB ILE 68 9.659 -5.432 4.589 552 HG12 ILE 68 2HG1 ILE 68 8.170 -2.856 5.251 553 HG13 ILE 68 1HG1 ILE 68 8.161 -4.330 6.207 554 HG21 ILE 68 1HG2 ILE 68 9.603 -2.892 2.941 555 HG22 ILE 68 2HG2 ILE 68 10.419 -4.398 2.523 556 HG23 ILE 68 3HG2 ILE 68 10.973 -3.452 3.903 557 HD11 ILE 68 1HD1 ILE 68 9.569 -2.685 7.229 558 HD12 ILE 68 2HD1 ILE 68 10.513 -2.498 5.752 559 HD13 ILE 68 3HD1 ILE 68 10.569 -4.019 6.651 560 H LYS 69 H LYS 69 9.044 -7.070 2.552 561 HA LYS 69 HA LYS 69 9.643 -6.058 -0.041 562 HB2 LYS 69 2HB LYS 69 9.643 -8.947 0.933 563 HB3 LYS 69 1HB LYS 69 10.347 -8.394 -0.584 564 HG2 LYS 69 2HG LYS 69 11.251 -7.639 2.206 565 HG3 LYS 69 1HG LYS 69 12.085 -8.720 1.087 566 HD2 LYS 69 2HD LYS 69 12.535 -6.852 -0.440 567 HD3 LYS 69 1HD LYS 69 11.585 -5.757 0.570 568 HE2 LYS 69 2HE LYS 69 13.207 -6.074 2.420 569 HE3 LYS 69 1HE LYS 69 14.162 -7.143 1.388 570 HZ1 LYS 69 1HZ LYS 69 13.590 -4.277 0.837 571 HZ2 LYS 69 2HZ LYS 69 14.540 -5.296 -0.122 572 HZ3 LYS 69 3HZ LYS 69 15.043 -4.891 1.438 573 H GLN 70 H GLN 70 7.116 -8.204 1.209 574 HA GLN 70 HA GLN 70 5.852 -8.863 -1.218 575 HB2 GLN 70 2HB GLN 70 4.802 -8.705 1.630 576 HB3 GLN 70 1HB GLN 70 3.816 -9.278 0.289 577 HG2 GLN 70 2HG GLN 70 5.415 -11.108 -0.120 578 HG3 GLN 70 1HG GLN 70 6.423 -10.530 1.204 579 HE21 GLN 70 1HE2 GLN 70 2.874 -10.639 1.301 580 HE22 GLN 70 2HE2 GLN 70 2.781 -11.880 2.496 581 H THR 71 H THR 71 5.192 -6.161 1.071 582 HA THR 71 HA THR 71 2.935 -5.287 -0.463 583 HB THR 71 HB THR 71 3.073 -4.935 2.024 584 HG1 THR 71 HG1 THR 71 2.590 -2.654 0.360 585 HG21 THR 71 1HG2 THR 71 4.877 -2.587 1.316 586 HG22 THR 71 2HG2 THR 71 5.377 -4.020 2.220 587 HG23 THR 71 3HG2 THR 71 4.172 -2.921 2.902 588 H LEU 72 H LEU 72 6.337 -4.260 -0.280 589 HA LEU 72 HA LEU 72 6.040 -1.919 -1.870 590 HB2 LEU 72 2HB LEU 72 8.450 -3.641 -1.197 591 HB3 LEU 72 1HB LEU 72 8.591 -2.291 -2.312 592 HG LEU 72 HG LEU 72 7.720 -2.068 0.602 593 HD11 LEU 72 1HD1 LEU 72 10.332 -1.248 -0.717 594 HD12 LEU 72 2HD1 LEU 72 10.103 -2.588 0.409 595 HD13 LEU 72 3HD1 LEU 72 9.872 -0.931 0.960 596 HD21 LEU 72 1HD2 LEU 72 6.611 -0.364 -0.746 597 HD22 LEU 72 2HD2 LEU 72 8.146 0.105 -1.484 598 HD23 LEU 72 3HD2 LEU 72 7.870 0.380 0.237 599 H ASP 73 H ASP 73 6.799 -5.312 -2.679 600 HA ASP 73 HA ASP 73 7.179 -4.995 -5.473 601 HB2 ASP 73 2HB ASP 73 7.822 -7.062 -4.272 602 HB3 ASP 73 1HB ASP 73 6.137 -7.402 -3.903 603 H ASN 74 H ASN 74 4.284 -5.783 -3.567 604 HA ASN 74 HA ASN 74 2.569 -6.217 -5.827 605 HB2 ASN 74 2HB ASN 74 2.036 -6.052 -2.835 606 HB3 ASN 74 1HB ASN 74 0.759 -6.348 -4.013 607 HD21 ASN 74 1HD2 ASN 74 4.040 -7.733 -4.345 608 HD22 ASN 74 2HD2 ASN 74 3.550 -9.354 -4.046 609 H GLU 75 H GLU 75 3.180 -3.520 -3.638 610 HA GLU 75 HA GLU 75 1.042 -1.872 -4.663 611 HB2 GLU 75 2HB GLU 75 1.878 -1.596 -2.331 612 HB3 GLU 75 1HB GLU 75 3.442 -1.080 -2.952 613 HG2 GLU 75 2HG GLU 75 2.180 0.834 -4.116 614 HG3 GLU 75 1HG GLU 75 0.787 0.369 -3.142 615 H GLN 76 H GLN 76 4.484 -2.345 -5.364 616 HA GLN 76 HA GLN 76 4.853 -0.153 -7.142 617 HB2 GLN 76 2HB GLN 76 6.723 -1.509 -6.231 618 HB3 GLN 76 1HB GLN 76 6.174 -2.910 -7.143 619 HG2 GLN 76 2HG GLN 76 6.662 -1.693 -9.258 620 HG3 GLN 76 1HG GLN 76 7.251 -0.325 -8.309 621 HE21 GLN 76 1HE2 GLN 76 7.896 -3.649 -9.253 622 HE22 GLN 76 2HE2 GLN 76 9.558 -3.668 -8.774 623 H LEU 77 H LEU 77 3.690 -3.463 -7.582 624 HA LEU 77 HA LEU 77 3.164 -3.319 -10.376 625 HB2 LEU 77 2HB LEU 77 2.104 -5.138 -8.192 626 HB3 LEU 77 1HB LEU 77 1.670 -5.335 -9.883 627 HG LEU 77 HG LEU 77 4.522 -5.507 -8.826 628 HD11 LEU 77 1HD1 LEU 77 2.619 -7.758 -9.552 629 HD12 LEU 77 2HD1 LEU 77 3.192 -7.349 -7.933 630 HD13 LEU 77 3HD1 LEU 77 4.328 -7.937 -9.142 631 HD21 LEU 77 1HD2 LEU 77 4.429 -4.821 -11.175 632 HD22 LEU 77 2HD2 LEU 77 3.377 -6.184 -11.562 633 HD23 LEU 77 3HD2 LEU 77 5.040 -6.470 -11.041 634 H LEU 78 H LEU 78 1.134 -2.733 -7.481 635 HA LEU 78 HA LEU 78 -1.289 -2.051 -8.738 636 HB2 LEU 78 2HB LEU 78 -0.028 -1.289 -6.090 637 HB3 LEU 78 1HB LEU 78 -1.497 -0.468 -6.582 638 HG LEU 78 HG LEU 78 -1.280 -3.492 -6.292 639 HD11 LEU 78 1HD1 LEU 78 -0.981 -2.407 -4.096 640 HD12 LEU 78 2HD1 LEU 78 -2.511 -3.277 -4.194 641 HD13 LEU 78 3HD1 LEU 78 -2.488 -1.512 -4.327 642 HD21 LEU 78 1HD2 LEU 78 -3.743 -3.400 -6.389 643 HD22 LEU 78 2HD2 LEU 78 -3.007 -2.788 -7.863 644 HD23 LEU 78 3HD2 LEU 78 -3.674 -1.662 -6.676 645 H LYS 79 H LYS 79 1.490 -0.055 -7.910 646 HA LYS 79 HA LYS 79 0.384 2.482 -8.492 647 HB2 LYS 79 2HB LYS 79 2.342 1.995 -6.974 648 HB3 LYS 79 1HB LYS 79 3.310 1.618 -8.394 649 HG2 LYS 79 2HG LYS 79 2.984 3.989 -9.173 650 HG3 LYS 79 1HG LYS 79 2.150 4.329 -7.647 651 HD2 LYS 79 2HD LYS 79 4.204 3.624 -6.399 652 HD3 LYS 79 1HD LYS 79 5.020 3.347 -7.940 653 HE2 LYS 79 2HE LYS 79 4.703 5.779 -8.470 654 HE3 LYS 79 1HE LYS 79 4.052 5.999 -6.842 655 HZ1 LYS 79 1HZ LYS 79 6.358 6.555 -6.825 656 HZ2 LYS 79 2HZ LYS 79 6.789 5.100 -7.560 657 HZ3 LYS 79 3HZ LYS 79 6.181 5.097 -5.983 658 H GLY 80 H GLY 80 2.503 0.256 -10.260 659 HA2 GLY 80 2HA GLY 80 2.905 1.765 -12.611 660 HA3 GLY 80 1HA GLY 80 3.099 0.026 -12.449 661 H LEU 81 H LEU 81 0.608 -0.874 -11.893 662 HA LEU 81 HA LEU 81 -0.592 -1.029 -14.434 663 HB2 LEU 81 2HB LEU 81 -0.670 -2.818 -12.762 664 HB3 LEU 81 1HB LEU 81 -1.644 -1.838 -11.693 665 HG LEU 81 HG LEU 81 -2.746 -2.590 -14.430 666 HD11 LEU 81 1HD1 LEU 81 -2.874 -4.401 -11.995 667 HD12 LEU 81 2HD1 LEU 81 -1.965 -4.714 -13.475 668 HD13 LEU 81 3HD1 LEU 81 -3.723 -4.643 -13.526 669 HD21 LEU 81 1HD2 LEU 81 -4.923 -2.501 -13.274 670 HD22 LEU 81 2HD2 LEU 81 -4.047 -0.984 -13.099 671 HD23 LEU 81 3HD2 LEU 81 -4.109 -2.121 -11.751 672 H LEU 82 H LEU 82 -1.501 0.764 -11.521 673 HA LEU 82 HA LEU 82 -4.039 1.640 -12.550 674 HB2 LEU 82 2HB LEU 82 -2.479 2.221 -10.019 675 HB3 LEU 82 1HB LEU 82 -3.996 3.038 -10.365 676 HG LEU 82 HG LEU 82 -3.830 -0.004 -10.280 677 HD11 LEU 82 1HD1 LEU 82 -4.601 0.050 -7.961 678 HD12 LEU 82 2HD1 LEU 82 -4.478 1.812 -7.934 679 HD13 LEU 82 3HD1 LEU 82 -3.025 0.826 -8.107 680 HD21 LEU 82 1HD2 LEU 82 -6.138 1.936 -9.934 681 HD22 LEU 82 2HD2 LEU 82 -6.237 0.174 -9.856 682 HD23 LEU 82 3HD2 LEU 82 -5.802 0.961 -11.370 683 H GLN 83 H GLN 83 -0.811 3.152 -12.158 684 HA GLN 83 HA GLN 83 -1.635 5.768 -12.959 685 HB2 GLN 83 2HB GLN 83 0.524 5.344 -11.779 686 HB3 GLN 83 1HB GLN 83 1.130 4.501 -13.197 687 HG2 GLN 83 2HG GLN 83 2.043 6.774 -13.046 688 HG3 GLN 83 1HG GLN 83 1.062 6.583 -14.498 689 HE21 GLN 83 1HE2 GLN 83 -0.886 7.740 -14.667 690 HE22 GLN 83 2HE2 GLN 83 -1.286 9.034 -13.595 691 H GLN 84 H GLN 84 -0.283 2.989 -14.697 692 HA GLN 84 HA GLN 84 -0.236 3.943 -17.338 693 HB2 GLN 84 2HB GLN 84 0.856 1.887 -16.544 694 HB3 GLN 84 1HB GLN 84 -0.689 1.147 -16.200 695 HG2 GLN 84 2HG GLN 84 0.070 1.903 -19.022 696 HG3 GLN 84 1HG GLN 84 0.662 0.412 -18.305 697 HE21 GLN 84 1HE2 GLN 84 -0.863 0.421 -20.599 698 HE22 GLN 84 2HE2 GLN 84 -2.414 -0.253 -20.281 699 H ARG 85 H ARG 85 -2.829 2.394 -15.469 700 HA ARG 85 HA ARG 85 -4.670 2.032 -17.593 701 HB2 ARG 85 2HB ARG 85 -4.614 0.830 -15.279 702 HB3 ARG 85 1HB ARG 85 -5.458 2.240 -14.655 703 HG2 ARG 85 2HG ARG 85 -7.351 1.089 -15.193 704 HG3 ARG 85 1HG ARG 85 -7.028 1.625 -16.840 705 HD2 ARG 85 2HD ARG 85 -6.407 -1.055 -15.581 706 HD3 ARG 85 1HD ARG 85 -7.464 -0.713 -16.948 707 HE ARG 85 HE ARG 85 -5.070 0.049 -17.908 708 HH11 ARG 85 1HH1 ARG 85 -6.071 -2.926 -16.285 709 HH12 ARG 85 2HH1 ARG 85 -4.890 -3.903 -17.090 710 HH21 ARG 85 1HH2 ARG 85 -3.509 -1.266 -18.928 711 HH22 ARG 85 2HH2 ARG 85 -3.441 -2.965 -18.586 712 H LEU 86 H LEU 86 -4.616 4.368 -14.869 713 HA LEU 86 HA LEU 86 -6.801 5.955 -15.645 714 HB2 LEU 86 2HB LEU 86 -4.365 6.668 -13.963 715 HB3 LEU 86 1HB LEU 86 -5.762 7.718 -14.131 716 HG LEU 86 HG LEU 86 -5.854 4.930 -12.902 717 HD11 LEU 86 1HD1 LEU 86 -6.015 6.041 -10.736 718 HD12 LEU 86 2HD1 LEU 86 -5.845 7.624 -11.497 719 HD13 LEU 86 3HD1 LEU 86 -4.507 6.472 -11.537 720 HD21 LEU 86 1HD2 LEU 86 -8.091 5.589 -12.099 721 HD22 LEU 86 2HD2 LEU 86 -8.014 5.576 -13.858 722 HD23 LEU 86 3HD2 LEU 86 -7.973 7.111 -12.986 723 H ASP 87 H ASP 87 -3.403 6.077 -16.557 724 HA ASP 87 HA ASP 87 -3.269 8.572 -17.855 725 HB2 ASP 87 2HB ASP 87 -1.283 7.163 -17.316 726 HB3 ASP 87 1HB ASP 87 -1.791 5.964 -18.491 727 H GLU 88 H GLU 88 -3.868 5.308 -19.207 728 HA GLU 88 HA GLU 88 -4.544 6.158 -21.827 729 HB2 GLU 88 2HB GLU 88 -5.385 3.617 -20.396 730 HB3 GLU 88 1HB GLU 88 -5.472 3.893 -22.134 731 HG2 GLU 88 2HG GLU 88 -3.014 4.064 -22.238 732 HG3 GLU 88 1HG GLU 88 -2.918 3.798 -20.494 733 H LEU 89 H LEU 89 -6.548 5.505 -18.969 734 HA LEU 89 HA LEU 89 -9.096 5.718 -20.082 735 HB2 LEU 89 2HB LEU 89 -8.144 6.332 -17.255 736 HB3 LEU 89 1HB LEU 89 -9.838 6.363 -17.712 737 HG LEU 89 HG LEU 89 -8.040 3.902 -17.800 738 HD11 LEU 89 1HD1 LEU 89 -9.378 3.084 -15.914 739 HD12 LEU 89 2HD1 LEU 89 -10.288 4.596 -15.880 740 HD13 LEU 89 3HD1 LEU 89 -8.564 4.594 -15.501 741 HD21 LEU 89 1HD2 LEU 89 -10.097 2.643 -18.287 742 HD22 LEU 89 2HD2 LEU 89 -9.735 3.806 -19.559 743 HD23 LEU 89 3HD2 LEU 89 -11.008 4.151 -18.384 744 H SER 90 H SER 90 -6.973 8.229 -18.704 745 HA SER 90 HA SER 90 -8.779 10.405 -19.134 746 HB2 SER 90 2HB SER 90 -5.763 10.408 -18.688 747 HB3 SER 90 1HB SER 90 -6.783 11.846 -18.680 748 HG SER 90 HG SER 90 -6.565 9.807 -16.799 749 H SER 91 H SER 91 -6.301 8.841 -21.116 750 HA SER 91 HA SER 91 -6.444 10.692 -23.302 751 HB2 SER 91 2HB SER 91 -5.595 7.764 -23.307 752 HB3 SER 91 1HB SER 91 -5.273 8.940 -24.582 753 HG SER 91 HG SER 91 -4.063 8.616 -22.110 754 H LEU 92 H LEU 92 -8.490 8.026 -22.262 755 HA LEU 92 HA LEU 92 -9.939 7.755 -24.764 756 HB2 LEU 92 2HB LEU 92 -10.731 6.760 -21.986 757 HB3 LEU 92 1HB LEU 92 -11.469 6.278 -23.504 758 HG LEU 92 HG LEU 92 -8.704 5.558 -22.486 759 HD11 LEU 92 1HD1 LEU 92 -10.482 4.204 -21.550 760 HD12 LEU 92 2HD1 LEU 92 -9.487 3.241 -22.640 761 HD13 LEU 92 3HD1 LEU 92 -11.076 3.809 -23.165 762 HD21 LEU 92 1HD2 LEU 92 -8.329 4.303 -24.566 763 HD22 LEU 92 2HD2 LEU 92 -8.438 6.037 -24.844 764 HD23 LEU 92 3HD2 LEU 92 -9.804 4.994 -25.251 765 H ILE 93 H ILE 93 -10.368 9.398 -21.684 766 HA ILE 93 HA ILE 93 -13.007 10.442 -22.107 767 HB ILE 93 HB ILE 93 -10.801 11.251 -20.135 768 HG12 ILE 93 2HG1 ILE 93 -13.303 9.582 -19.593 769 HG13 ILE 93 1HG1 ILE 93 -11.739 8.877 -19.974 770 HG21 ILE 93 1HG2 ILE 93 -12.561 12.391 -18.808 771 HG22 ILE 93 2HG2 ILE 93 -13.739 12.054 -20.077 772 HG23 ILE 93 3HG2 ILE 93 -12.379 13.128 -20.403 773 HD11 ILE 93 1HD1 ILE 93 -12.115 8.815 -17.611 774 HD12 ILE 93 2HD1 ILE 93 -12.396 10.555 -17.559 775 HD13 ILE 93 3HD1 ILE 93 -10.793 9.929 -17.959 776 H GLY 94 H GLY 94 -9.716 11.593 -22.561 777 HA2 GLY 94 2HA GLY 94 -10.433 13.513 -24.571 778 HA3 GLY 94 1HA GLY 94 -9.946 14.282 -23.057 779 H GLN 95 H GLN 95 -7.792 14.395 -22.571 780 HA GLN 95 HA GLN 95 -5.851 12.507 -23.687 781 HB2 GLN 95 2HB GLN 95 -5.618 15.543 -23.990 782 HB3 GLN 95 1HB GLN 95 -4.231 14.469 -24.123 783 HG2 GLN 95 2HG GLN 95 -5.207 13.405 -26.098 784 HG3 GLN 95 1HG GLN 95 -6.658 14.395 -25.948 785 HE21 GLN 95 1HE2 GLN 95 -4.760 14.196 -28.173 786 HE22 GLN 95 2HE2 GLN 95 -4.170 15.795 -28.447 787 H VAL 96 H VAL 96 -4.406 11.959 -22.109 788 HA VAL 96 HA VAL 96 -4.461 13.111 -19.473 789 HB VAL 96 HB VAL 96 -3.951 10.683 -19.976 790 HG11 VAL 96 1HG1 VAL 96 -1.252 11.704 -20.926 791 HG12 VAL 96 2HG1 VAL 96 -2.501 10.972 -21.934 792 HG13 VAL 96 3HG1 VAL 96 -1.695 10.008 -20.695 793 HG21 VAL 96 1HG2 VAL 96 -2.198 10.389 -18.251 794 HG22 VAL 96 2HG2 VAL 96 -3.397 11.591 -17.766 795 HG23 VAL 96 3HG2 VAL 96 -1.815 12.113 -18.349 796 H LEU 97 H LEU 97 -2.418 13.999 -18.423 797 HA LEU 97 HA LEU 97 -1.115 15.980 -20.130 798 HB2 LEU 97 2HB LEU 97 -1.070 15.552 -17.123 799 HB3 LEU 97 1HB LEU 97 -0.210 16.850 -17.938 800 HG LEU 97 HG LEU 97 -3.232 16.483 -17.853 801 HD11 LEU 97 1HD1 LEU 97 -1.484 18.597 -16.557 802 HD12 LEU 97 2HD1 LEU 97 -2.320 17.277 -15.732 803 HD13 LEU 97 3HD1 LEU 97 -3.249 18.541 -16.531 804 HD21 LEU 97 1HD2 LEU 97 -1.627 18.678 -19.219 805 HD22 LEU 97 2HD2 LEU 97 -3.382 18.632 -19.049 806 HD23 LEU 97 3HD2 LEU 97 -2.566 17.417 -20.029 807 H PHE 98 H PHE 98 -0.393 13.306 -20.672 808 HA PHE 98 HA PHE 98 1.360 12.148 -21.427 809 HB2 PHE 98 2HB PHE 98 3.160 14.500 -20.738 810 HB3 PHE 98 1HB PHE 98 3.382 13.311 -22.014 811 HD1 PHE 98 HD1 PHE 98 2.169 16.586 -21.269 812 HD2 PHE 98 HD2 PHE 98 1.521 13.278 -23.906 813 HE1 PHE 98 HE1 PHE 98 0.942 18.054 -22.812 814 HE2 PHE 98 HE2 PHE 98 0.305 14.761 -25.446 815 HZ PHE 98 HZ PHE 98 0.004 17.142 -24.894 816 H GLN 99 H GLN 99 3.325 13.869 -19.030 817 HA GLN 99 HA GLN 99 2.944 11.773 -17.021 818 HB2 GLN 99 2HB GLN 99 5.015 11.064 -18.204 819 HB3 GLN 99 1HB GLN 99 5.717 12.659 -17.967 820 HG2 GLN 99 2HG GLN 99 6.627 10.981 -16.387 821 HG3 GLN 99 1HG GLN 99 5.821 12.311 -15.560 822 HE21 GLN 99 1HE2 GLN 99 5.564 8.928 -16.451 823 HE22 GLN 99 2HE2 GLN 99 4.367 8.513 -15.278 824 H GLY 100 H GLY 100 2.298 12.856 -15.283 825 HA2 GLY 100 2HA GLY 100 3.592 15.164 -14.218 826 HA3 GLY 100 1HA GLY 100 2.086 15.599 -15.030 827 HA PRO 101 HA PRO 101 1.176 13.444 -10.838 828 HB2 PRO 101 2HB PRO 101 2.138 14.883 -8.786 829 HB3 PRO 101 1HB PRO 101 3.225 13.840 -9.729 830 HG2 PRO 101 2HG PRO 101 2.859 16.813 -9.899 831 HG3 PRO 101 1HG PRO 101 4.362 15.864 -9.915 832 HD2 PRO 101 2HD PRO 101 3.072 16.804 -12.209 833 HD3 PRO 101 1HD PRO 101 4.222 15.449 -12.181 834 H SER 102 H SER 102 0.002 15.753 -12.508 835 HA SER 102 HA SER 102 -1.513 17.439 -10.800 836 HB2 SER 102 2HB SER 102 -1.094 17.996 -13.174 837 HB3 SER 102 1HB SER 102 -2.049 16.606 -13.683 838 HG SER 102 HG SER 102 -2.975 18.943 -13.409 839 H ALA 103 H ALA 103 -2.496 16.255 -9.246 840 HA ALA 103 HA ALA 103 -4.210 13.986 -9.792 841 HB1 ALA 103 1HB ALA 103 -4.529 13.943 -7.354 842 HB2 ALA 103 2HB ALA 103 -3.683 15.484 -7.199 843 HB3 ALA 103 3HB ALA 103 -2.816 14.054 -7.762 844 H GLY 104 H GLY 104 -5.609 15.105 -11.272 845 HA2 GLY 104 2HA GLY 104 -8.134 15.736 -10.488 846 HA3 GLY 104 1HA GLY 104 -7.307 17.293 -10.418 847 H LEU 105 H LEU 105 -7.270 14.486 -12.608 848 HA LEU 105 HA LEU 105 -6.993 16.120 -14.975 849 HB2 LEU 105 2HB LEU 105 -7.455 13.119 -14.682 850 HB3 LEU 105 1HB LEU 105 -7.045 13.934 -16.185 851 HG LEU 105 HG LEU 105 -5.240 13.764 -13.729 852 HD11 LEU 105 1HD1 LEU 105 -5.007 12.339 -16.402 853 HD12 LEU 105 2HD1 LEU 105 -5.436 11.600 -14.858 854 HD13 LEU 105 3HD1 LEU 105 -3.828 12.280 -15.087 855 HD21 LEU 105 1HD2 LEU 105 -4.679 14.994 -16.453 856 HD22 LEU 105 2HD2 LEU 105 -3.492 14.760 -15.167 857 HD23 LEU 105 3HD2 LEU 105 -4.845 15.858 -14.922 858 H VAL 106 H VAL 106 -9.598 14.293 -13.425 859 HA VAL 106 HA VAL 106 -11.575 15.490 -15.288 860 HB VAL 106 HB VAL 106 -11.973 13.003 -13.549 861 HG11 VAL 106 1HG1 VAL 106 -13.692 14.103 -15.807 862 HG12 VAL 106 2HG1 VAL 106 -14.068 14.198 -14.086 863 HG13 VAL 106 3HG1 VAL 106 -14.005 12.627 -14.885 864 HG21 VAL 106 1HG2 VAL 106 -11.778 11.656 -15.605 865 HG22 VAL 106 2HG2 VAL 106 -10.284 12.536 -15.284 866 HG23 VAL 106 3HG2 VAL 106 -11.389 13.109 -16.534 867 HA PRO 107 HA PRO 107 -12.427 17.716 -11.359 868 HB2 PRO 107 2HB PRO 107 -13.548 19.930 -12.395 869 HB3 PRO 107 1HB PRO 107 -11.827 19.589 -12.684 870 HG2 PRO 107 2HG PRO 107 -14.168 19.114 -14.512 871 HG3 PRO 107 1HG PRO 107 -12.584 19.833 -14.884 872 HD2 PRO 107 2HD PRO 107 -13.220 17.172 -15.361 873 HD3 PRO 107 1HD PRO 107 -11.562 17.771 -15.122 874 H ARG 108 H ARG 108 -14.428 18.844 -10.427 875 HA ARG 108 HA ARG 108 -16.697 17.184 -10.307 876 HB2 ARG 108 2HB ARG 108 -16.306 20.087 -9.463 877 HB3 ARG 108 1HB ARG 108 -17.765 19.167 -9.099 878 HG2 ARG 108 2HG ARG 108 -16.486 17.587 -7.750 879 HG3 ARG 108 1HG ARG 108 -14.979 18.406 -8.163 880 HD2 ARG 108 2HD ARG 108 -15.798 20.459 -7.025 881 HD3 ARG 108 1HD ARG 108 -17.291 19.614 -6.606 882 HE ARG 108 HE ARG 108 -16.010 18.144 -5.183 883 HH11 ARG 108 1HH1 ARG 108 -14.279 21.044 -6.191 884 HH12 ARG 108 2HH1 ARG 108 -13.151 20.961 -4.872 885 HH21 ARG 108 1HH2 ARG 108 -14.501 18.045 -3.495 886 HH22 ARG 108 2HH2 ARG 108 -13.277 19.267 -3.355 887 H GLY 109 H GLY 109 -18.963 17.892 -10.729 888 HA2 GLY 109 2HA GLY 109 -20.584 19.038 -12.045 889 HA3 GLY 109 1HA GLY 109 -19.330 19.502 -13.191 890 H SER 110 H SER 110 -19.696 16.275 -11.860 891 HA SER 110 HA SER 110 -21.232 15.165 -14.025 892 HB2 SER 110 2HB SER 110 -19.418 13.651 -14.884 893 HB3 SER 110 1HB SER 110 -19.052 15.351 -15.189 894 HG SER 110 HG SER 110 -18.028 13.778 -13.056 895 H GLY 111 H GLY 111 -20.967 12.574 -13.805 896 HA2 GLY 111 2HA GLY 111 -21.696 11.776 -11.165 897 HA3 GLY 111 1HA GLY 111 -21.405 10.720 -12.537 898 H GLY 112 H GLY 112 -20.470 9.287 -10.887 899 HA2 GLY 112 2HA GLY 112 -18.369 10.113 -9.144 900 HA3 GLY 112 1HA GLY 112 -18.945 8.480 -9.381 901 H ILE 113 H ILE 113 -17.968 9.735 -12.343 902 HA ILE 113 HA ILE 113 -15.624 8.143 -12.577 903 HB ILE 113 HB ILE 113 -17.049 8.694 -14.514 904 HG12 ILE 113 2HG1 ILE 113 -14.234 9.823 -14.907 905 HG13 ILE 113 1HG1 ILE 113 -14.650 8.112 -14.926 906 HG21 ILE 113 1HG2 ILE 113 -16.087 11.563 -14.242 907 HG22 ILE 113 2HG2 ILE 113 -17.715 10.980 -13.897 908 HG23 ILE 113 3HG2 ILE 113 -17.096 10.928 -15.548 909 HD11 ILE 113 1HD1 ILE 113 -15.579 10.200 -16.899 910 HD12 ILE 113 2HD1 ILE 113 -16.075 8.505 -16.900 911 HD13 ILE 113 3HD1 ILE 113 -14.386 8.929 -17.171 912 H GLU 114 H GLU 114 -16.183 11.607 -11.935 913 HA GLU 114 HA GLU 114 -13.428 12.366 -11.957 914 HB2 GLU 114 2HB GLU 114 -14.321 14.472 -10.711 915 HB3 GLU 114 1HB GLU 114 -14.816 14.192 -12.367 916 HG2 GLU 114 2HG GLU 114 -16.722 14.986 -11.230 917 HG3 GLU 114 1HG GLU 114 -16.978 13.271 -11.503 918 H GLY 115 H GLY 115 -15.670 11.289 -9.480 919 HA2 GLY 115 2HA GLY 115 -14.052 11.631 -7.198 920 HA3 GLY 115 1HA GLY 115 -15.357 10.466 -7.377 921 H MET1001 H MET 1 -14.450 8.921 -9.450 922 HA MET1001 HA MET 1 -12.791 7.022 -8.234 923 HB2 MET1001 2HB MET 1 -14.345 6.471 -10.064 924 HB3 MET1001 1HB MET 1 -13.424 7.460 -11.184 925 HG2 MET1001 2HG MET 1 -11.489 5.881 -10.869 926 HG3 MET1001 1HG MET 1 -12.560 4.852 -9.913 927 HE1 MET1001 1HE MET 1 -13.477 6.986 -13.159 928 HE2 MET1001 2HE MET 1 -13.253 5.767 -14.411 929 HE3 MET1001 3HE MET 1 -11.859 6.374 -13.518 930 H THR1002 H THR 2 -12.047 9.435 -10.774 931 HA THR1002 HA THR 2 -9.341 8.656 -11.108 932 HB THR1002 HB THR 2 -9.088 10.918 -12.276 933 HG1 THR1002 HG1 THR 2 -11.903 11.136 -12.122 934 HG21 THR1002 1HG2 THR 2 -10.465 10.250 -14.208 935 HG22 THR1002 2HG2 THR 2 -11.357 9.113 -13.195 936 HG23 THR1002 3HG2 THR 2 -9.636 8.859 -13.506 937 H THR1003 H THR 3 -10.797 11.349 -9.204 938 HA THR1003 HA THR 3 -8.261 12.416 -8.411 939 HB THR1003 HB THR 3 -9.574 13.805 -6.778 940 HG1 THR1003 HG1 THR 3 -12.035 13.148 -7.772 941 HG21 THR1003 1HG2 THR 3 -9.248 14.613 -9.086 942 HG22 THR1003 2HG2 THR 3 -10.835 15.092 -8.480 943 HG23 THR1003 3HG2 THR 3 -10.694 13.742 -9.608 944 H ARG1004 H ARG 4 -10.527 10.131 -6.883 945 HA ARG1004 HA ARG 4 -9.194 9.866 -4.396 946 HB2 ARG1004 2HB ARG 4 -10.996 7.934 -5.905 947 HB3 ARG1004 1HB ARG 4 -10.288 7.510 -4.349 948 HG2 ARG1004 2HG ARG 4 -11.480 9.343 -3.259 949 HG3 ARG1004 1HG ARG 4 -12.118 9.893 -4.811 950 HD2 ARG1004 2HD ARG 4 -13.331 7.721 -5.045 951 HD3 ARG1004 1HD ARG 4 -12.738 7.240 -3.455 952 HE ARG1004 HE ARG 4 -14.550 9.533 -3.946 953 HH11 ARG1004 1HH1 ARG 4 -13.563 6.867 -1.864 954 HH12 ARG1004 2HH1 ARG 4 -14.801 7.172 -0.688 955 HH21 ARG1004 1HH2 ARG 4 -16.161 9.916 -2.397 956 HH22 ARG1004 2HH2 ARG 4 -16.267 8.899 -0.994 957 H LEU1005 H LEU 5 -8.860 8.088 -7.474 958 HA LEU1005 HA LEU 5 -6.852 6.305 -6.484 959 HB2 LEU1005 2HB LEU 5 -7.910 6.839 -9.272 960 HB3 LEU1005 1HB LEU 5 -6.560 5.750 -8.996 961 HG LEU1005 HG LEU 5 -9.395 5.382 -7.941 962 HD11 LEU1005 1HD1 LEU 5 -9.443 3.421 -9.438 963 HD12 LEU1005 2HD1 LEU 5 -7.830 3.831 -10.036 964 HD13 LEU1005 3HD1 LEU 5 -9.189 4.918 -10.334 965 HD21 LEU1005 1HD2 LEU 5 -8.615 3.193 -7.081 966 HD22 LEU1005 2HD2 LEU 5 -7.811 4.539 -6.277 967 HD23 LEU1005 3HD2 LEU 5 -6.955 3.613 -7.514 968 H THR1006 H THR 6 -6.672 9.466 -8.096 969 HA THR1006 HA THR 6 -3.850 9.283 -8.662 970 HB THR1006 HB THR 6 -3.982 11.823 -8.899 971 HG1 THR1006 HG1 THR 6 -5.744 12.221 -7.512 972 HG21 THR1006 1HG2 THR 6 -6.020 10.250 -10.528 973 HG22 THR1006 2HG2 THR 6 -4.292 10.359 -10.877 974 HG23 THR1006 3HG2 THR 6 -5.308 11.800 -10.983 975 H ARG1007 H ARG 7 -5.824 10.651 -6.000 976 HA ARG1007 HA ARG 7 -3.660 11.538 -4.376 977 HB2 ARG1007 2HB ARG 7 -6.015 12.256 -3.982 978 HB3 ARG1007 1HB ARG 7 -6.431 10.617 -3.492 979 HG2 ARG1007 2HG ARG 7 -4.918 10.786 -1.560 980 HG3 ARG1007 1HG ARG 7 -4.423 12.401 -2.068 981 HD2 ARG1007 2HD ARG 7 -6.714 13.232 -1.686 982 HD3 ARG1007 1HD ARG 7 -7.227 11.604 -1.216 983 HE ARG1007 HE ARG 7 -5.238 11.979 0.499 984 HH11 ARG1007 1HH1 ARG 7 -7.865 14.199 -0.309 985 HH12 ARG1007 2HH1 ARG 7 -7.851 14.956 1.252 986 HH21 ARG1007 1HH2 ARG 7 -5.224 12.976 2.506 987 HH22 ARG1007 2HH2 ARG 7 -6.344 14.255 2.856 988 H TRP1008 H TRP 8 -5.276 8.464 -4.783 989 HA TRP1008 HA TRP 8 -4.095 6.965 -2.713 990 HB2 TRP1008 2HB TRP 8 -5.947 5.898 -3.617 991 HB3 TRP1008 1HB TRP 8 -5.591 6.406 -5.251 992 HD1 TRP1008 HD1 TRP 8 -3.918 4.828 -6.691 993 HE1 TRP1008 HE1 TRP 8 -3.409 2.335 -6.503 994 HE3 TRP1008 HE3 TRP 8 -5.674 3.966 -1.971 995 HZ2 TRP1008 HZ2 TRP 8 -3.747 0.246 -4.676 996 HZ3 TRP1008 HZ3 TRP 8 -5.568 1.677 -1.081 997 HH2 TRP1008 HH2 TRP 8 -4.617 -0.141 -2.411 998 H LEU1009 H LEU 9 -3.115 7.396 -6.160 999 HA LEU1009 HA LEU 9 -0.853 5.696 -6.075 1000 HB2 LEU1009 2HB LEU 9 -1.502 8.019 -7.933 1001 HB3 LEU1009 1HB LEU 9 -0.132 6.947 -8.177 1002 HG LEU1009 HG LEU 9 -3.045 6.049 -8.199 1003 HD11 LEU1009 1HD1 LEU 9 -1.177 6.521 -10.543 1004 HD12 LEU1009 2HD1 LEU 9 -2.584 7.497 -10.108 1005 HD13 LEU1009 3HD1 LEU 9 -2.804 5.829 -10.629 1006 HD21 LEU1009 1HD2 LEU 9 -2.222 3.932 -9.090 1007 HD22 LEU1009 2HD2 LEU 9 -1.518 4.250 -7.507 1008 HD23 LEU1009 3HD2 LEU 9 -0.550 4.497 -8.964 1009 H THR1010 H THR 10 -1.164 9.210 -5.435 1010 HA THR1010 HA THR 10 1.681 9.572 -5.075 1011 HB THR1010 HB THR 10 0.214 11.457 -5.799 1012 HG1 THR1010 HG1 THR 10 1.650 12.761 -4.965 1013 HG21 THR1010 1HG2 THR 10 -0.749 11.508 -2.920 1014 HG22 THR1010 2HG2 THR 10 -1.729 11.093 -4.326 1015 HG23 THR1010 3HG2 THR 10 -1.092 12.728 -4.151 1016 H ALA1011 H ALA 11 -1.020 8.708 -2.958 1017 HA ALA1011 HA ALA 11 0.433 8.942 -0.481 1018 HB1 ALA1011 1HB ALA 11 -1.409 7.639 0.501 1019 HB2 ALA1011 2HB ALA 11 -2.023 7.262 -1.112 1020 HB3 ALA1011 3HB ALA 11 -2.031 8.928 -0.532 1021 H LEU1012 H LEU 12 0.071 6.436 -2.933 1022 HA LEU1012 HA LEU 12 1.361 4.297 -1.568 1023 HB2 LEU1012 2HB LEU 12 1.230 4.797 -4.580 1024 HB3 LEU1012 1HB LEU 12 1.720 3.297 -3.814 1025 HG LEU1012 HG LEU 12 -1.062 4.469 -4.027 1026 HD11 LEU1012 1HD1 LEU 12 -0.311 3.141 -5.918 1027 HD12 LEU1012 2HD1 LEU 12 -1.596 2.303 -5.053 1028 HD13 LEU1012 3HD1 LEU 12 0.081 1.788 -4.852 1029 HD21 LEU1012 1HD2 LEU 12 -0.892 3.774 -1.707 1030 HD22 LEU1012 2HD2 LEU 12 -0.249 2.201 -2.184 1031 HD23 LEU1012 3HD2 LEU 12 -1.909 2.641 -2.597 1032 H ASP1013 H ASP 13 2.444 6.863 -3.751 1033 HA ASP1013 HA ASP 13 5.177 6.138 -3.929 1034 HB2 ASP1013 2HB ASP 13 4.130 7.632 -5.576 1035 HB3 ASP1013 1HB ASP 13 3.813 8.842 -4.336 1036 H ASN1014 H ASN 14 3.399 8.296 -1.736 1037 HA ASN1014 HA ASN 14 5.578 9.410 -0.324 1038 HB2 ASN1014 2HB ASN 14 3.300 10.381 -0.213 1039 HB3 ASN1014 1HB ASN 14 2.703 8.944 0.607 1040 HD21 ASN1014 1HD2 ASN 14 2.035 10.069 2.427 1041 HD22 ASN1014 2HD2 ASN 14 3.131 10.766 3.568 1042 H PHE1015 H PHE 15 3.492 6.576 0.331 1043 HA PHE1015 HA PHE 15 4.714 5.606 2.649 1044 HB2 PHE1015 2HB PHE 15 2.617 4.660 1.975 1045 HB3 PHE1015 1HB PHE 15 3.223 4.221 0.388 1046 HD1 PHE1015 HD1 PHE 15 3.936 2.036 0.016 1047 HD2 PHE1015 HD2 PHE 15 3.732 3.413 4.036 1048 HE1 PHE1015 HE1 PHE 15 4.425 -0.231 0.797 1049 HE2 PHE1015 HE2 PHE 15 4.236 1.132 4.834 1050 HZ PHE1015 HZ PHE 15 4.579 -0.691 3.206 1051 H GLU1016 H GLU 16 5.200 4.483 -0.680 1052 HA GLU1016 HA GLU 16 7.158 2.642 -0.507 1053 HB2 GLU1016 2HB GLU 16 5.897 3.304 -2.553 1054 HB3 GLU1016 1HB GLU 16 6.858 4.773 -2.661 1055 HG2 GLU1016 2HG GLU 16 8.897 3.182 -2.852 1056 HG3 GLU1016 1HG GLU 16 7.712 1.916 -3.169 1057 H ALA1017 H ALA 17 7.715 6.127 -0.997 1058 HA ALA1017 HA ALA 17 10.555 5.962 -1.070 1059 HB1 ALA1017 1HB ALA 17 10.485 8.419 -1.084 1060 HB2 ALA1017 2HB ALA 17 8.768 8.379 -0.669 1061 HB3 ALA1017 3HB ALA 17 9.321 7.736 -2.218 1062 H LYS1018 H LYS 18 8.288 7.193 1.434 1063 HA LYS1018 HA LYS 18 10.267 7.910 3.330 1064 HB2 LYS1018 2HB LYS 18 7.849 8.695 3.271 1065 HB3 LYS1018 1HB LYS 18 7.378 7.127 3.907 1066 HG2 LYS1018 2HG LYS 18 7.404 8.670 5.740 1067 HG3 LYS1018 1HG LYS 18 8.790 7.598 5.945 1068 HD2 LYS1018 2HD LYS 18 9.436 9.897 6.456 1069 HD3 LYS1018 1HD LYS 18 10.272 9.371 4.995 1070 HE2 LYS1018 2HE LYS 18 8.609 10.597 3.619 1071 HE3 LYS1018 1HE LYS 18 7.784 11.120 5.091 1072 HZ1 LYS1018 1HZ LYS 18 10.560 11.818 4.288 1073 HZ2 LYS1018 2HZ LYS 18 9.849 12.244 5.755 1074 HZ3 LYS1018 3HZ LYS 18 9.224 12.856 4.314 1075 H MET1019 H MET 19 8.593 4.875 2.733 1076 HA MET1019 HA MET 19 9.497 3.666 5.184 1077 HB2 MET1019 2HB MET 19 8.184 1.802 4.700 1078 HB3 MET1019 1HB MET 19 7.254 3.145 4.069 1079 HG2 MET1019 2HG MET 19 7.307 2.333 1.948 1080 HG3 MET1019 1HG MET 19 9.008 1.884 2.045 1081 HE1 MET1019 1HE MET 19 8.777 0.082 4.792 1082 HE2 MET1019 2HE MET 19 9.834 -0.273 3.419 1083 HE3 MET1019 3HE MET 19 8.727 -1.504 4.031 1084 H ALA1020 H ALA 20 10.557 3.777 1.834 1085 HA ALA1020 HA ALA 20 12.645 1.839 2.067 1086 HB1 ALA1020 1HB ALA 20 12.497 4.294 0.276 1087 HB2 ALA1020 2HB ALA 20 11.894 2.687 -0.123 1088 HB3 ALA1020 3HB ALA 20 13.626 2.946 0.088 1089 H LEU1021 H LEU 21 12.303 5.233 2.946 1090 HA LEU1021 HA LEU 21 15.028 5.711 3.674 1091 HB2 LEU1021 2HB LEU 21 12.466 7.158 4.458 1092 HB3 LEU1021 1HB LEU 21 14.070 7.720 4.901 1093 HG LEU1021 HG LEU 21 13.066 7.431 2.041 1094 HD11 LEU1021 1HD1 LEU 21 13.416 9.951 3.695 1095 HD12 LEU1021 2HD1 LEU 21 11.882 9.226 3.206 1096 HD13 LEU1021 3HD1 LEU 21 12.972 9.877 1.986 1097 HD21 LEU1021 1HD2 LEU 21 15.473 7.116 2.167 1098 HD22 LEU1021 2HD2 LEU 21 15.658 8.604 3.100 1099 HD23 LEU1021 3HD2 LEU 21 15.106 8.673 1.424 1100 H LEU1022 H LEU 22 12.230 4.407 5.466 1101 HA LEU1022 HA LEU 22 13.031 4.495 8.105 1102 HB2 LEU1022 2HB LEU 22 11.801 2.108 6.679 1103 HB3 LEU1022 1HB LEU 22 11.947 2.220 8.423 1104 HG LEU1022 HG LEU 22 10.218 3.999 6.655 1105 HD11 LEU1022 1HD1 LEU 22 9.306 1.748 6.886 1106 HD12 LEU1022 2HD1 LEU 22 8.335 2.888 7.814 1107 HD13 LEU1022 3HD1 LEU 22 9.476 1.822 8.645 1108 HD21 LEU1022 1HD2 LEU 22 11.059 5.286 8.550 1109 HD22 LEU1022 2HD2 LEU 22 10.530 4.024 9.666 1110 HD23 LEU1022 3HD2 LEU 22 9.339 4.942 8.743 1111 HA PRO1023 HA PRO 23 16.735 1.747 7.965 1112 HB2 PRO1023 2HB PRO 23 18.375 3.233 9.513 1113 HB3 PRO1023 1HB PRO 23 17.958 3.742 7.866 1114 HG2 PRO1023 2HG PRO 23 17.070 4.902 10.441 1115 HG3 PRO1023 1HG PRO 23 17.147 5.648 8.834 1116 HD2 PRO1023 2HD PRO 23 14.839 4.433 10.152 1117 HD3 PRO1023 1HD PRO 23 14.894 5.335 8.620 1118 H ALA1024 H ALA 24 14.445 2.179 10.336 1119 HA ALA1024 HA ALA 24 15.811 1.250 12.697 1120 HB1 ALA1024 1HB ALA 24 13.576 1.209 13.722 1121 HB2 ALA1024 2HB ALA 24 12.825 1.445 12.139 1122 HB3 ALA1024 3HB ALA 24 13.827 2.717 12.840 1123 H VAL1025 H VAL 25 13.495 -0.194 10.413 1124 HA VAL1025 HA VAL 25 13.985 -2.879 11.501 1125 HB VAL1025 HB VAL 25 12.138 -3.584 9.883 1126 HG11 VAL1025 1HG1 VAL 25 11.704 -3.197 12.271 1127 HG12 VAL1025 2HG1 VAL 25 10.326 -2.682 11.300 1128 HG13 VAL1025 3HG1 VAL 25 11.434 -1.477 11.966 1129 HG21 VAL1025 1HG2 VAL 25 11.760 -0.574 9.541 1130 HG22 VAL1025 2HG2 VAL 25 10.662 -1.829 8.952 1131 HG23 VAL1025 3HG2 VAL 25 12.289 -1.697 8.283 Start of MODEL 13 1 H1 MET 1 1H MET 1 6.159 -7.476 25.342 2 H2 MET 1 2H MET 1 4.597 -6.837 25.249 3 H3 MET 1 3H MET 1 5.934 -5.840 24.998 4 HA MET 1 HA MET 1 6.522 -7.001 23.013 5 HB2 MET 1 2HB MET 1 5.178 -8.835 22.127 6 HB3 MET 1 1HB MET 1 5.650 -9.232 23.771 7 HG2 MET 1 2HG MET 1 3.423 -8.696 24.589 8 HG3 MET 1 1HG MET 1 2.935 -8.141 22.984 9 HE1 MET 1 1HE MET 1 0.802 -11.362 23.192 10 HE2 MET 1 2HE MET 1 0.833 -9.655 22.756 11 HE3 MET 1 3HE MET 1 1.077 -10.142 24.436 12 H THR 2 H THR 2 4.540 -4.807 24.149 13 HA THR 2 HA THR 2 2.372 -4.499 22.434 14 HB THR 2 HB THR 2 3.970 -2.199 23.657 15 HG1 THR 2 HG1 THR 2 1.736 -3.458 24.872 16 HG21 THR 2 1HG2 THR 2 2.245 -1.462 22.031 17 HG22 THR 2 2HG2 THR 2 1.804 -1.003 23.676 18 HG23 THR 2 3HG2 THR 2 1.020 -2.385 22.908 19 H SER 3 H SER 3 5.614 -2.981 22.150 20 HA SER 3 HA SER 3 5.416 -1.655 19.738 21 HB2 SER 3 2HB SER 3 7.864 -3.199 20.702 22 HB3 SER 3 1HB SER 3 7.859 -1.776 19.656 23 HG SER 3 HG SER 3 6.755 -0.737 21.550 24 H THR 4 H THR 4 6.350 -5.017 20.320 25 HA THR 4 HA THR 4 6.989 -5.917 17.782 26 HB THR 4 HB THR 4 5.729 -7.501 20.075 27 HG1 THR 4 HG1 THR 4 8.238 -7.958 20.124 28 HG21 THR 4 1HG2 THR 4 5.718 -8.823 18.007 29 HG22 THR 4 2HG2 THR 4 6.959 -9.439 19.103 30 HG23 THR 4 3HG2 THR 4 7.417 -8.431 17.724 31 H VAL 5 H VAL 5 3.892 -6.326 19.513 32 HA VAL 5 HA VAL 5 2.530 -7.662 17.440 33 HB VAL 5 HB VAL 5 1.427 -6.163 19.867 34 HG11 VAL 5 1HG1 VAL 5 -0.039 -8.124 18.050 35 HG12 VAL 5 2HG1 VAL 5 -0.347 -6.390 18.162 36 HG13 VAL 5 3HG1 VAL 5 -0.673 -7.432 19.547 37 HG21 VAL 5 1HG2 VAL 5 2.907 -8.045 20.456 38 HG22 VAL 5 2HG2 VAL 5 1.955 -9.135 19.444 39 HG23 VAL 5 3HG2 VAL 5 1.236 -8.413 20.888 40 H GLU 6 H GLU 6 2.249 -4.279 18.596 41 HA GLU 6 HA GLU 6 0.437 -3.235 16.826 42 HB2 GLU 6 2HB GLU 6 2.906 -1.917 18.021 43 HB3 GLU 6 1HB GLU 6 1.640 -1.023 17.183 44 HG2 GLU 6 2HG GLU 6 1.252 -2.679 19.690 45 HG3 GLU 6 1HG GLU 6 1.407 -0.924 19.637 46 H PHE 7 H PHE 7 3.965 -3.406 16.340 47 HA PHE 7 HA PHE 7 4.040 -1.988 13.873 48 HB2 PHE 7 2HB PHE 7 5.907 -2.331 15.585 49 HB3 PHE 7 1HB PHE 7 6.118 -3.953 14.934 50 HD1 PHE 7 HD1 PHE 7 8.023 -4.107 13.564 51 HD2 PHE 7 HD2 PHE 7 5.752 -0.470 13.513 52 HE1 PHE 7 HE1 PHE 7 9.623 -3.110 11.971 53 HE2 PHE 7 HE2 PHE 7 7.351 0.505 11.920 54 HZ PHE 7 HZ PHE 7 9.291 -0.810 11.153 55 H ILE 8 H ILE 8 4.414 -5.451 14.620 56 HA ILE 8 HA ILE 8 4.729 -6.411 11.978 57 HB ILE 8 HB ILE 8 3.850 -7.847 14.526 58 HG12 ILE 8 2HG1 ILE 8 6.586 -7.774 13.164 59 HG13 ILE 8 1HG1 ILE 8 6.140 -6.805 14.563 60 HG21 ILE 8 1HG2 ILE 8 4.746 -9.123 11.912 61 HG22 ILE 8 2HG2 ILE 8 3.116 -9.177 12.586 62 HG23 ILE 8 3HG2 ILE 8 4.443 -9.982 13.424 63 HD11 ILE 8 1HD1 ILE 8 5.836 -8.833 15.874 64 HD12 ILE 8 2HD1 ILE 8 7.459 -8.721 15.196 65 HD13 ILE 8 3HD1 ILE 8 6.278 -9.807 14.472 66 H ASN 9 H ASN 9 1.877 -5.985 14.043 67 HA ASN 9 HA ASN 9 0.030 -7.422 12.397 68 HB2 ASN 9 2HB ASN 9 -0.408 -5.424 14.654 69 HB3 ASN 9 1HB ASN 9 -1.741 -6.169 13.778 70 HD21 ASN 9 1HD2 ASN 9 1.221 -7.940 14.569 71 HD22 ASN 9 2HD2 ASN 9 0.494 -8.955 15.751 72 H ARG 10 H ARG 10 0.896 -3.968 12.740 73 HA ARG 10 HA ARG 10 -0.950 -2.933 10.867 74 HB2 ARG 10 2HB ARG 10 1.757 -1.969 11.829 75 HB3 ARG 10 1HB ARG 10 0.898 -1.095 10.563 76 HG2 ARG 10 2HG ARG 10 -0.950 -0.621 12.034 77 HG3 ARG 10 1HG ARG 10 -0.285 -1.663 13.296 78 HD2 ARG 10 2HD ARG 10 1.604 -0.161 13.600 79 HD3 ARG 10 1HD ARG 10 1.082 0.824 12.238 80 HE ARG 10 HE ARG 10 -0.325 1.931 13.618 81 HH11 ARG 10 1HH1 ARG 10 0.382 -1.120 15.176 82 HH12 ARG 10 2HH1 ARG 10 -0.452 -0.696 16.636 83 HH21 ARG 10 1HH2 ARG 10 -1.372 2.482 15.546 84 HH22 ARG 10 2HH2 ARG 10 -1.443 1.336 16.851 85 H TRP 11 H TRP 11 2.509 -3.836 10.373 86 HA TRP 11 HA TRP 11 2.574 -3.558 7.586 87 HB2 TRP 11 2HB TRP 11 4.237 -5.234 9.493 88 HB3 TRP 11 1HB TRP 11 4.510 -5.320 7.757 89 HD1 TRP 11 HD1 TRP 11 5.763 -3.500 10.660 90 HE1 TRP 11 HE1 TRP 11 6.997 -1.362 9.946 91 HE3 TRP 11 HE3 TRP 11 4.171 -3.187 5.806 92 HZ2 TRP 11 HZ2 TRP 11 7.268 0.260 7.665 93 HZ3 TRP 11 HZ3 TRP 11 4.956 -1.305 4.426 94 HH2 TRP 11 HH2 TRP 11 6.471 0.382 5.342 95 H GLN 12 H GLN 12 1.482 -6.233 9.551 96 HA GLN 12 HA GLN 12 1.160 -8.236 7.596 97 HB2 GLN 12 2HB GLN 12 1.111 -8.691 10.009 98 HB3 GLN 12 1HB GLN 12 -0.338 -7.717 10.201 99 HG2 GLN 12 2HG GLN 12 -1.602 -9.372 8.854 100 HG3 GLN 12 1HG GLN 12 -0.134 -10.346 8.710 101 HE21 GLN 12 1HE2 GLN 12 -1.160 -12.094 9.780 102 HE22 GLN 12 2HE2 GLN 12 -1.466 -12.080 11.477 103 H ARG 13 H ARG 13 -1.080 -5.725 8.849 104 HA ARG 13 HA ARG 13 -3.321 -6.362 7.261 105 HB2 ARG 13 2HB ARG 13 -2.527 -3.580 8.240 106 HB3 ARG 13 1HB ARG 13 -4.120 -4.053 7.663 107 HG2 ARG 13 2HG ARG 13 -2.758 -4.932 10.215 108 HG3 ARG 13 1HG ARG 13 -4.173 -3.901 10.057 109 HD2 ARG 13 2HD ARG 13 -5.474 -5.796 9.195 110 HD3 ARG 13 1HD ARG 13 -4.055 -6.845 9.294 111 HE ARG 13 HE ARG 13 -5.637 -5.778 11.534 112 HH11 ARG 13 1HH1 ARG 13 -2.969 -7.823 10.507 113 HH12 ARG 13 2HH1 ARG 13 -2.847 -8.632 12.034 114 HH21 ARG 13 1HH2 ARG 13 -5.466 -6.847 13.516 115 HH22 ARG 13 2HH2 ARG 13 -4.266 -8.078 13.739 116 H ILE 14 H ILE 14 -0.587 -4.168 6.709 117 HA ILE 14 HA ILE 14 -1.442 -2.981 4.295 118 HB ILE 14 HB ILE 14 1.415 -3.380 5.318 119 HG12 ILE 14 2HG1 ILE 14 -0.474 -1.019 5.721 120 HG13 ILE 14 1HG1 ILE 14 -0.078 -2.216 6.945 121 HG21 ILE 14 1HG2 ILE 14 1.353 -2.717 2.931 122 HG22 ILE 14 2HG2 ILE 14 2.038 -1.448 3.941 123 HG23 ILE 14 3HG2 ILE 14 0.380 -1.305 3.346 124 HD11 ILE 14 1HD1 ILE 14 1.836 -0.281 5.675 125 HD12 ILE 14 2HD1 ILE 14 2.252 -1.500 6.884 126 HD13 ILE 14 3HD1 ILE 14 1.148 -0.189 7.296 127 H ALA 15 H ALA 15 0.501 -5.895 4.945 128 HA ALA 15 HA ALA 15 1.201 -6.443 2.226 129 HB1 ALA 15 1HB ALA 15 1.950 -8.627 3.065 130 HB2 ALA 15 2HB ALA 15 1.152 -8.320 4.613 131 HB3 ALA 15 3HB ALA 15 2.515 -7.320 4.104 132 H LEU 16 H LEU 16 -1.346 -7.652 4.409 133 HA LEU 16 HA LEU 16 -2.593 -9.507 2.692 134 HB2 LEU 16 2HB LEU 16 -3.753 -7.857 4.979 135 HB3 LEU 16 1HB LEU 16 -4.627 -9.156 4.184 136 HG LEU 16 HG LEU 16 -2.045 -9.501 5.766 137 HD11 LEU 16 1HD1 LEU 16 -3.929 -8.919 7.236 138 HD12 LEU 16 2HD1 LEU 16 -3.400 -10.580 7.495 139 HD13 LEU 16 3HD1 LEU 16 -4.874 -10.257 6.574 140 HD21 LEU 16 1HD2 LEU 16 -2.457 -11.922 5.560 141 HD22 LEU 16 2HD2 LEU 16 -2.210 -11.163 3.990 142 HD23 LEU 16 3HD2 LEU 16 -3.840 -11.600 4.510 143 H LEU 17 H LEU 17 -3.166 -6.069 3.260 144 HA LEU 17 HA LEU 17 -5.414 -5.753 1.577 145 HB2 LEU 17 2HB LEU 17 -3.439 -3.759 2.755 146 HB3 LEU 17 1HB LEU 17 -4.782 -3.248 1.743 147 HG LEU 17 HG LEU 17 -5.169 -4.824 4.324 148 HD11 LEU 17 1HD1 LEU 17 -5.368 -1.818 3.980 149 HD12 LEU 17 2HD1 LEU 17 -4.098 -2.677 4.854 150 HD13 LEU 17 3HD1 LEU 17 -5.759 -2.734 5.438 151 HD21 LEU 17 1HD2 LEU 17 -7.028 -5.003 2.740 152 HD22 LEU 17 2HD2 LEU 17 -7.134 -3.244 2.630 153 HD23 LEU 17 3HD2 LEU 17 -7.502 -4.059 4.152 154 H SER 18 H SER 18 -1.910 -5.096 1.061 155 HA SER 18 HA SER 18 -2.193 -3.966 -1.518 156 HB2 SER 18 2HB SER 18 0.273 -4.330 -1.737 157 HB3 SER 18 1HB SER 18 -0.174 -3.549 -0.222 158 HG SER 18 HG SER 18 0.682 -5.140 0.797 159 H GLN 19 H GLN 19 -1.599 -7.337 -0.473 160 HA GLN 19 HA GLN 19 -1.188 -8.315 -3.134 161 HB2 GLN 19 2HB GLN 19 -1.163 -10.535 -2.229 162 HB3 GLN 19 1HB GLN 19 -0.324 -9.488 -1.095 163 HG2 GLN 19 2HG GLN 19 -2.379 -9.462 0.325 164 HG3 GLN 19 1HG GLN 19 -3.121 -10.615 -0.782 165 HE21 GLN 19 1HE2 GLN 19 -2.631 -10.994 2.016 166 HE22 GLN 19 2HE2 GLN 19 -1.548 -12.325 2.184 167 H SER 20 H SER 20 -4.013 -8.188 -0.965 168 HA SER 20 HA SER 20 -5.894 -9.448 -2.623 169 HB2 SER 20 2HB SER 20 -6.286 -7.206 -0.596 170 HB3 SER 20 1HB SER 20 -7.591 -8.175 -1.289 171 HG SER 20 HG SER 20 -6.129 -8.736 0.819 172 H LEU 21 H LEU 21 -4.900 -6.070 -2.381 173 HA LEU 21 HA LEU 21 -6.681 -4.924 -4.241 174 HB2 LEU 21 2HB LEU 21 -4.010 -3.982 -3.123 175 HB3 LEU 21 1HB LEU 21 -4.955 -3.005 -4.235 176 HG LEU 21 HG LEU 21 -6.054 -3.943 -1.554 177 HD11 LEU 21 1HD1 LEU 21 -4.073 -2.588 -1.108 178 HD12 LEU 21 2HD1 LEU 21 -5.536 -1.717 -0.654 179 HD13 LEU 21 3HD1 LEU 21 -4.690 -1.301 -2.147 180 HD21 LEU 21 1HD2 LEU 21 -7.768 -3.309 -3.161 181 HD22 LEU 21 2HD2 LEU 21 -6.961 -1.770 -3.468 182 HD23 LEU 21 3HD2 LEU 21 -7.666 -2.098 -1.885 183 H LEU 22 H LEU 22 -3.443 -6.345 -4.519 184 HA LEU 22 HA LEU 22 -2.917 -5.561 -7.184 185 HB2 LEU 22 2HB LEU 22 -1.140 -6.419 -5.712 186 HB3 LEU 22 1HB LEU 22 -1.915 -7.995 -5.655 187 HG LEU 22 HG LEU 22 -1.429 -8.382 -8.033 188 HD11 LEU 22 1HD1 LEU 22 -0.191 -5.610 -8.077 189 HD12 LEU 22 2HD1 LEU 22 -1.664 -6.119 -8.909 190 HD13 LEU 22 3HD1 LEU 22 -0.111 -6.799 -9.382 191 HD21 LEU 22 1HD2 LEU 22 1.070 -7.399 -6.618 192 HD22 LEU 22 2HD2 LEU 22 0.994 -8.558 -7.950 193 HD23 LEU 22 3HD2 LEU 22 0.312 -8.980 -6.383 194 H GLU 23 H GLU 23 -4.488 -8.440 -5.779 195 HA GLU 23 HA GLU 23 -5.064 -9.773 -8.204 196 HB2 GLU 23 2HB GLU 23 -6.693 -9.843 -5.634 197 HB3 GLU 23 1HB GLU 23 -6.768 -11.029 -6.934 198 HG2 GLU 23 2HG GLU 23 -4.380 -10.479 -5.147 199 HG3 GLU 23 1HG GLU 23 -5.463 -11.857 -5.032 200 H LEU 24 H LEU 24 -6.946 -7.389 -6.365 201 HA LEU 24 HA LEU 24 -9.293 -7.357 -7.918 202 HB2 LEU 24 2HB LEU 24 -8.085 -5.107 -6.258 203 HB3 LEU 24 1HB LEU 24 -9.753 -5.180 -6.806 204 HG LEU 24 HG LEU 24 -8.494 -7.165 -4.878 205 HD11 LEU 24 1HD1 LEU 24 -10.291 -4.819 -4.229 206 HD12 LEU 24 2HD1 LEU 24 -8.583 -4.978 -3.821 207 HD13 LEU 24 3HD1 LEU 24 -9.766 -6.062 -3.090 208 HD21 LEU 24 1HD2 LEU 24 -11.387 -6.814 -5.697 209 HD22 LEU 24 2HD2 LEU 24 -10.802 -7.898 -4.433 210 HD23 LEU 24 3HD2 LEU 24 -10.328 -8.169 -6.108 211 H ALA 25 H ALA 25 -6.292 -5.461 -8.178 212 HA ALA 25 HA ALA 25 -7.220 -3.639 -10.189 213 HB1 ALA 25 1HB ALA 25 -5.397 -3.070 -8.640 214 HB2 ALA 25 2HB ALA 25 -4.874 -2.919 -10.318 215 HB3 ALA 25 3HB ALA 25 -4.377 -4.317 -9.356 216 H GLN 26 H GLN 26 -5.305 -6.615 -10.230 217 HA GLN 26 HA GLN 26 -4.632 -6.597 -12.991 218 HB2 GLN 26 2HB GLN 26 -4.687 -8.805 -10.901 219 HB3 GLN 26 1HB GLN 26 -4.164 -9.098 -12.556 220 HG2 GLN 26 2HG GLN 26 -2.864 -6.977 -10.827 221 HG3 GLN 26 1HG GLN 26 -2.349 -8.661 -10.793 222 HE21 GLN 26 1HE2 GLN 26 -0.261 -7.888 -11.482 223 HE22 GLN 26 2HE2 GLN 26 0.028 -7.509 -13.142 224 H ARG 27 H ARG 27 -7.401 -7.904 -11.187 225 HA ARG 27 HA ARG 27 -8.507 -9.214 -13.567 226 HB2 ARG 27 2HB ARG 27 -9.336 -9.117 -10.658 227 HB3 ARG 27 1HB ARG 27 -10.483 -9.649 -11.875 228 HG2 ARG 27 2HG ARG 27 -9.385 -11.537 -10.759 229 HG3 ARG 27 1HG ARG 27 -9.055 -11.522 -12.489 230 HD2 ARG 27 2HD ARG 27 -6.803 -10.956 -12.182 231 HD3 ARG 27 1HD ARG 27 -7.084 -10.269 -10.581 232 HE ARG 27 HE ARG 27 -7.542 -13.122 -10.805 233 HH11 ARG 27 1HH1 ARG 27 -5.181 -10.628 -10.072 234 HH12 ARG 27 2HH1 ARG 27 -4.180 -11.682 -9.122 235 HH21 ARG 27 1HH2 ARG 27 -6.275 -14.469 -9.497 236 HH22 ARG 27 2HH2 ARG 27 -4.801 -13.861 -8.796 237 H GLY 28 H GLY 28 -8.792 -6.159 -11.936 238 HA2 GLY 28 2HA GLY 28 -9.697 -4.263 -13.006 239 HA3 GLY 28 1HA GLY 28 -10.780 -5.279 -13.930 240 H GLU 29 H GLU 29 -10.742 -5.944 -10.521 241 HA GLU 29 HA GLU 29 -13.249 -4.566 -10.008 242 HB2 GLU 29 2HB GLU 29 -11.362 -6.171 -8.248 243 HB3 GLU 29 1HB GLU 29 -12.689 -5.257 -7.548 244 HG2 GLU 29 2HG GLU 29 -13.315 -7.575 -7.780 245 HG3 GLU 29 1HG GLU 29 -14.303 -6.576 -8.842 246 H TRP 30 H TRP 30 -12.388 -2.471 -10.725 247 HA TRP 30 HA TRP 30 -10.453 -0.976 -9.245 248 HB2 TRP 30 2HB TRP 30 -12.717 0.256 -10.882 249 HB3 TRP 30 1HB TRP 30 -11.111 0.917 -10.581 250 HD1 TRP 30 HD1 TRP 30 -13.008 -0.934 -13.169 251 HE1 TRP 30 HE1 TRP 30 -11.435 -1.936 -14.937 252 HE3 TRP 30 HE3 TRP 30 -8.544 -0.264 -10.784 253 HZ2 TRP 30 HZ2 TRP 30 -8.678 -2.383 -15.291 254 HZ3 TRP 30 HZ3 TRP 30 -6.480 -1.000 -11.893 255 HH2 TRP 30 HH2 TRP 30 -6.552 -2.038 -14.103 256 H ASP 31 H ASP 31 -13.843 -1.534 -8.990 257 HA ASP 31 HA ASP 31 -14.732 0.419 -7.204 258 HB2 ASP 31 2HB ASP 31 -15.646 -2.494 -7.381 259 HB3 ASP 31 1HB ASP 31 -16.584 -1.143 -6.751 260 H LEU 32 H LEU 32 -13.454 -2.849 -6.621 261 HA LEU 32 HA LEU 32 -13.617 -2.648 -3.758 262 HB2 LEU 32 2HB LEU 32 -12.210 -4.746 -5.451 263 HB3 LEU 32 1HB LEU 32 -12.574 -4.872 -3.736 264 HG LEU 32 HG LEU 32 -14.570 -4.875 -6.035 265 HD11 LEU 32 1HD1 LEU 32 -13.436 -7.008 -5.691 266 HD12 LEU 32 2HD1 LEU 32 -15.134 -7.129 -5.242 267 HD13 LEU 32 3HD1 LEU 32 -13.898 -7.010 -3.986 268 HD21 LEU 32 1HD2 LEU 32 -16.361 -5.134 -4.345 269 HD22 LEU 32 2HD2 LEU 32 -15.560 -3.570 -4.226 270 HD23 LEU 32 3HD2 LEU 32 -15.188 -4.841 -3.059 271 H LEU 33 H LEU 33 -11.175 -1.867 -6.149 272 HA LEU 33 HA LEU 33 -8.969 -1.533 -4.398 273 HB2 LEU 33 2HB LEU 33 -9.685 0.055 -6.894 274 HB3 LEU 33 1HB LEU 33 -8.164 0.214 -6.029 275 HG LEU 33 HG LEU 33 -9.130 -2.284 -7.475 276 HD11 LEU 33 1HD1 LEU 33 -6.865 -0.379 -8.137 277 HD12 LEU 33 2HD1 LEU 33 -8.423 -0.455 -8.966 278 HD13 LEU 33 3HD1 LEU 33 -7.324 -1.829 -9.037 279 HD21 LEU 33 1HD2 LEU 33 -7.819 -2.885 -5.495 280 HD22 LEU 33 2HD2 LEU 33 -6.524 -1.795 -5.995 281 HD23 LEU 33 3HD2 LEU 33 -6.912 -3.216 -6.969 282 H LEU 34 H LEU 34 -11.540 0.709 -5.440 283 HA LEU 34 HA LEU 34 -10.741 2.908 -3.804 284 HB2 LEU 34 2HB LEU 34 -13.471 2.339 -5.029 285 HB3 LEU 34 1HB LEU 34 -12.926 3.896 -4.419 286 HG LEU 34 HG LEU 34 -11.841 2.432 -6.857 287 HD11 LEU 34 1HD1 LEU 34 -14.007 3.465 -7.280 288 HD12 LEU 34 2HD1 LEU 34 -12.735 4.314 -8.152 289 HD13 LEU 34 3HD1 LEU 34 -13.415 5.018 -6.683 290 HD21 LEU 34 1HD2 LEU 34 -10.415 4.421 -7.242 291 HD22 LEU 34 2HD2 LEU 34 -9.985 3.550 -5.773 292 HD23 LEU 34 3HD2 LEU 34 -10.897 5.057 -5.666 293 H GLN 35 H GLN 35 -12.665 0.071 -3.175 294 HA GLN 35 HA GLN 35 -13.949 0.953 -0.765 295 HB2 GLN 35 2HB GLN 35 -14.855 -0.932 -2.033 296 HB3 GLN 35 1HB GLN 35 -13.360 -1.835 -1.850 297 HG2 GLN 35 2HG GLN 35 -15.115 -2.725 -0.391 298 HG3 GLN 35 1HG GLN 35 -13.781 -2.084 0.563 299 HE21 GLN 35 1HE2 GLN 35 -17.115 -1.577 -0.411 300 HE22 GLN 35 2HE2 GLN 35 -17.506 -0.427 0.818 301 H GLN 36 H GLN 36 -11.163 -1.263 -1.307 302 HA GLN 36 HA GLN 36 -10.426 -1.252 1.486 303 HB2 GLN 36 2HB GLN 36 -9.370 -2.660 -0.956 304 HB3 GLN 36 1HB GLN 36 -8.284 -2.491 0.409 305 HG2 GLN 36 2HG GLN 36 -9.152 -4.496 1.013 306 HG3 GLN 36 1HG GLN 36 -10.429 -3.518 1.713 307 HE21 GLN 36 1HE2 GLN 36 -11.700 -2.929 -0.898 308 HE22 GLN 36 2HE2 GLN 36 -12.428 -4.401 -1.410 309 H GLU 37 H GLU 37 -9.811 0.867 -1.055 310 HA GLU 37 HA GLU 37 -7.274 1.831 -0.925 311 HB2 GLU 37 2HB GLU 37 -8.840 2.770 -2.477 312 HB3 GLU 37 1HB GLU 37 -9.924 3.291 -1.192 313 HG2 GLU 37 2HG GLU 37 -8.293 4.995 -0.493 314 HG3 GLU 37 1HG GLU 37 -7.183 4.458 -1.749 315 H VAL 38 H VAL 38 -9.930 3.063 1.096 316 HA VAL 38 HA VAL 38 -8.402 4.871 2.597 317 HB VAL 38 HB VAL 38 -10.369 4.967 4.144 318 HG11 VAL 38 1HG1 VAL 38 -12.004 5.774 2.453 319 HG12 VAL 38 2HG1 VAL 38 -11.061 5.003 1.175 320 HG13 VAL 38 3HG1 VAL 38 -10.367 6.331 2.108 321 HG21 VAL 38 1HG2 VAL 38 -11.514 2.707 2.440 322 HG22 VAL 38 2HG2 VAL 38 -12.392 3.612 3.677 323 HG23 VAL 38 3HG2 VAL 38 -11.033 2.587 4.136 324 H SER 39 H SER 39 -9.114 1.478 3.119 325 HA SER 39 HA SER 39 -8.193 1.228 5.799 326 HB2 SER 39 2HB SER 39 -8.353 -0.906 3.623 327 HB3 SER 39 1HB SER 39 -8.370 -1.171 5.368 328 HG SER 39 HG SER 39 -10.352 -0.088 5.469 329 H TYR 40 H TYR 40 -6.685 0.891 2.616 330 HA TYR 40 HA TYR 40 -4.217 -0.249 3.503 331 HB2 TYR 40 2HB TYR 40 -5.119 -0.577 1.197 332 HB3 TYR 40 1HB TYR 40 -4.858 1.130 0.857 333 HD1 TYR 40 HD1 TYR 40 -2.951 1.548 -0.479 334 HD2 TYR 40 HD2 TYR 40 -2.809 -1.743 2.244 335 HE1 TYR 40 HE1 TYR 40 -0.696 0.982 -1.271 336 HE2 TYR 40 HE2 TYR 40 -0.554 -2.291 1.447 337 HH TYR 40 HH TYR 40 1.292 -0.207 -0.507 338 H LEU 41 H LEU 41 -5.255 3.021 2.575 339 HA LEU 41 HA LEU 41 -2.703 4.268 2.919 340 HB2 LEU 41 2HB LEU 41 -5.467 5.552 2.864 341 HB3 LEU 41 1HB LEU 41 -3.936 6.389 2.653 342 HG LEU 41 HG LEU 41 -5.190 4.385 0.731 343 HD11 LEU 41 1HD1 LEU 41 -4.655 7.354 0.398 344 HD12 LEU 41 2HD1 LEU 41 -6.230 6.596 0.650 345 HD13 LEU 41 3HD1 LEU 41 -5.328 6.275 -0.829 346 HD21 LEU 41 1HD2 LEU 41 -3.264 4.829 -0.771 347 HD22 LEU 41 2HD2 LEU 41 -2.786 4.016 0.717 348 HD23 LEU 41 3HD2 LEU 41 -2.482 5.743 0.521 349 H GLN 42 H GLN 42 -5.473 3.642 5.028 350 HA GLN 42 HA GLN 42 -4.670 5.212 7.253 351 HB2 GLN 42 2HB GLN 42 -6.947 4.209 7.024 352 HB3 GLN 42 1HB GLN 42 -6.261 2.610 7.271 353 HG2 GLN 42 2HG GLN 42 -7.329 3.447 9.315 354 HG3 GLN 42 1HG GLN 42 -5.598 3.223 9.558 355 HE21 GLN 42 1HE2 GLN 42 -8.128 5.608 9.081 356 HE22 GLN 42 2HE2 GLN 42 -7.268 6.941 9.765 357 H SER 43 H SER 43 -4.121 1.770 6.444 358 HA SER 43 HA SER 43 -2.666 1.127 8.773 359 HB2 SER 43 2HB SER 43 -2.028 -0.953 7.514 360 HB3 SER 43 1HB SER 43 -3.759 -0.620 7.496 361 HG SER 43 HG SER 43 -3.685 -0.237 5.411 362 H ILE 44 H ILE 44 -1.660 2.213 5.561 363 HA ILE 44 HA ILE 44 1.127 2.249 5.795 364 HB ILE 44 HB ILE 44 -0.871 3.923 4.233 365 HG12 ILE 44 2HG1 ILE 44 1.309 1.981 3.337 366 HG13 ILE 44 1HG1 ILE 44 -0.405 1.607 3.469 367 HG21 ILE 44 1HG2 ILE 44 2.121 4.427 4.142 368 HG22 ILE 44 2HG2 ILE 44 0.879 5.555 4.688 369 HG23 ILE 44 3HG2 ILE 44 0.946 5.073 2.993 370 HD11 ILE 44 1HD1 ILE 44 0.843 3.565 1.537 371 HD12 ILE 44 2HD1 ILE 44 -0.882 3.207 1.672 372 HD13 ILE 44 3HD1 ILE 44 0.245 1.948 1.170 373 H GLU 45 H GLU 45 -1.236 4.811 6.625 374 HA GLU 45 HA GLU 45 0.656 6.755 7.439 375 HB2 GLU 45 2HB GLU 45 -1.679 7.260 6.737 376 HB3 GLU 45 1HB GLU 45 -2.287 6.496 8.203 377 HG2 GLU 45 2HG GLU 45 -1.179 8.217 9.574 378 HG3 GLU 45 1HG GLU 45 -0.517 8.963 8.121 379 H THR 46 H THR 46 -1.212 4.351 9.265 380 HA THR 46 HA THR 46 -0.428 5.298 11.851 381 HB THR 46 HB THR 46 -2.622 4.137 11.485 382 HG1 THR 46 HG1 THR 46 -1.716 4.212 13.599 383 HG21 THR 46 1HG2 THR 46 -2.736 1.685 11.406 384 HG22 THR 46 2HG2 THR 46 -0.977 1.590 11.303 385 HG23 THR 46 3HG2 THR 46 -1.898 2.313 9.986 386 H VAL 47 H VAL 47 0.858 2.847 9.592 387 HA VAL 47 HA VAL 47 2.635 1.713 11.577 388 HB VAL 47 HB VAL 47 1.811 0.524 9.392 389 HG11 VAL 47 1HG1 VAL 47 4.258 1.934 8.262 390 HG12 VAL 47 2HG1 VAL 47 2.590 2.142 7.728 391 HG13 VAL 47 3HG1 VAL 47 3.403 0.598 7.489 392 HG21 VAL 47 1HG2 VAL 47 3.310 -0.493 11.055 393 HG22 VAL 47 2HG2 VAL 47 4.705 0.265 10.281 394 HG23 VAL 47 3HG2 VAL 47 3.772 -0.959 9.417 395 H MET 48 H MET 48 2.842 4.251 9.161 396 HA MET 48 HA MET 48 5.691 4.577 9.329 397 HB2 MET 48 2HB MET 48 4.234 5.217 7.360 398 HB3 MET 48 1HB MET 48 3.637 6.578 8.298 399 HG2 MET 48 2HG MET 48 5.746 7.653 8.257 400 HG3 MET 48 1HG MET 48 6.578 6.181 7.746 401 HE1 MET 48 1HE MET 48 4.768 5.018 5.400 402 HE2 MET 48 2HE MET 48 6.525 5.181 5.331 403 HE3 MET 48 3HE MET 48 5.529 5.810 4.020 404 H GLU 49 H GLU 49 2.881 5.940 10.952 405 HA GLU 49 HA GLU 49 4.288 7.694 12.706 406 HB2 GLU 49 2HB GLU 49 1.910 7.974 12.385 407 HB3 GLU 49 1HB GLU 49 1.579 6.318 12.866 408 HG2 GLU 49 2HG GLU 49 0.904 7.969 14.576 409 HG3 GLU 49 1HG GLU 49 2.088 6.816 15.178 410 H LYS 50 H LYS 50 3.554 4.227 12.750 411 HA LYS 50 HA LYS 50 4.303 3.735 15.471 412 HB2 LYS 50 2HB LYS 50 2.923 2.261 13.592 413 HB3 LYS 50 1HB LYS 50 4.461 1.429 13.558 414 HG2 LYS 50 2HG LYS 50 2.853 1.866 16.095 415 HG3 LYS 50 1HG LYS 50 2.656 0.462 15.061 416 HD2 LYS 50 2HD LYS 50 4.036 -0.301 16.802 417 HD3 LYS 50 1HD LYS 50 5.170 0.006 15.488 418 HE2 LYS 50 2HE LYS 50 5.937 0.776 17.761 419 HE3 LYS 50 1HE LYS 50 5.931 2.038 16.533 420 HZ1 LYS 50 1HZ LYS 50 5.021 2.887 18.561 421 HZ2 LYS 50 2HZ LYS 50 3.899 1.634 18.660 422 HZ3 LYS 50 3HZ LYS 50 3.773 2.785 17.431 423 H GLN 51 H GLN 51 6.322 4.703 15.719 424 HA GLN 51 HA GLN 51 8.657 3.573 14.330 425 HB2 GLN 51 2HB GLN 51 8.467 5.806 16.403 426 HB3 GLN 51 1HB GLN 51 9.930 5.322 15.551 427 HG2 GLN 51 2HG GLN 51 8.911 6.032 13.410 428 HG3 GLN 51 1HG GLN 51 7.457 6.534 14.274 429 HE21 GLN 51 1HE2 GLN 51 9.427 8.074 12.654 430 HE22 GLN 51 2HE2 GLN 51 9.924 9.376 13.673 431 H THR 52 H THR 52 9.314 1.659 15.189 432 HA THR 52 HA THR 52 8.849 0.898 17.926 433 HB THR 52 HB THR 52 10.449 -1.093 17.150 434 HG1 THR 52 HG1 THR 52 11.240 -0.399 15.243 435 HG21 THR 52 1HG2 THR 52 8.541 -2.246 16.121 436 HG22 THR 52 2HG2 THR 52 7.690 -0.710 15.952 437 HG23 THR 52 3HG2 THR 52 8.041 -1.353 17.560 438 HA PRO 53 HA PRO 53 12.718 2.164 19.944 439 HB2 PRO 53 2HB PRO 53 13.142 -0.136 21.505 440 HB3 PRO 53 1HB PRO 53 12.040 1.185 21.941 441 HG2 PRO 53 2HG PRO 53 11.402 -1.424 20.594 442 HG3 PRO 53 1HG PRO 53 10.552 -0.613 21.932 443 HD2 PRO 53 2HD PRO 53 9.580 -0.446 19.469 444 HD3 PRO 53 1HD PRO 53 9.582 0.999 20.510 445 HA PRO 54 HA PRO 54 16.225 0.700 17.572 446 HB2 PRO 54 2HB PRO 54 17.643 0.345 20.232 447 HB3 PRO 54 1HB PRO 54 18.199 1.175 18.759 448 HG2 PRO 54 2HG PRO 54 17.327 2.602 20.805 449 HG3 PRO 54 1HG PRO 54 16.869 3.059 19.146 450 HD2 PRO 54 2HD PRO 54 15.214 1.682 21.249 451 HD3 PRO 54 1HD PRO 54 14.726 2.889 20.038 452 H GLY 55 H GLY 55 15.819 -1.164 20.597 453 HA2 GLY 55 2HA GLY 55 16.997 -3.576 19.744 454 HA3 GLY 55 1HA GLY 55 15.879 -3.392 21.084 455 H ILE 56 H ILE 56 16.140 -4.004 17.638 456 HA ILE 56 HA ILE 56 13.512 -5.367 17.643 457 HB ILE 56 HB ILE 56 14.975 -3.908 15.409 458 HG12 ILE 56 2HG1 ILE 56 13.352 -2.594 16.754 459 HG13 ILE 56 1HG1 ILE 56 12.768 -2.782 15.103 460 HG21 ILE 56 1HG2 ILE 56 12.734 -5.928 14.970 461 HG22 ILE 56 2HG2 ILE 56 14.405 -6.085 14.426 462 HG23 ILE 56 3HG2 ILE 56 13.378 -4.825 13.747 463 HD11 ILE 56 1HD1 ILE 56 10.987 -3.049 16.773 464 HD12 ILE 56 2HD1 ILE 56 11.838 -4.433 17.467 465 HD13 ILE 56 3HD1 ILE 56 11.215 -4.514 15.817 466 H THR 57 H THR 57 13.751 -7.412 17.888 467 HA THR 57 HA THR 57 16.092 -8.964 17.393 468 HB THR 57 HB THR 57 14.564 -9.527 19.207 469 HG1 THR 57 HG1 THR 57 15.681 -11.265 18.312 470 HG21 THR 57 1HG2 THR 57 12.313 -10.415 18.849 471 HG22 THR 57 2HG2 THR 57 12.469 -10.178 17.107 472 HG23 THR 57 3HG2 THR 57 12.427 -8.775 18.187 473 H ARG 58 H ARG 58 16.104 -10.912 15.964 474 HA ARG 58 HA ARG 58 15.736 -10.050 13.284 475 HB2 ARG 58 2HB ARG 58 16.511 -12.822 14.280 476 HB3 ARG 58 1HB ARG 58 16.649 -12.258 12.616 477 HG2 ARG 58 2HG ARG 58 18.196 -10.405 13.588 478 HG3 ARG 58 1HG ARG 58 18.265 -11.422 15.029 479 HD2 ARG 58 2HD ARG 58 20.174 -11.955 13.665 480 HD3 ARG 58 1HD ARG 58 19.057 -13.318 13.555 481 HE ARG 58 HE ARG 58 19.471 -11.250 11.466 482 HH11 ARG 58 1HH1 ARG 58 18.475 -14.527 12.305 483 HH12 ARG 58 2HH1 ARG 58 18.258 -15.003 10.654 484 HH21 ARG 58 1HH2 ARG 58 19.121 -11.872 9.322 485 HH22 ARG 58 2HH2 ARG 58 18.625 -13.495 8.957 486 H SER 59 H SER 59 13.674 -11.928 15.382 487 HA SER 59 HA SER 59 12.133 -13.264 13.401 488 HB2 SER 59 2HB SER 59 10.427 -13.503 15.236 489 HB3 SER 59 1HB SER 59 12.048 -13.992 15.734 490 HG SER 59 HG SER 59 11.611 -12.686 17.333 491 H ILE 60 H ILE 60 11.547 -10.240 15.244 492 HA ILE 60 HA ILE 60 9.285 -9.293 13.873 493 HB ILE 60 HB ILE 60 11.526 -7.633 15.143 494 HG12 ILE 60 2HG1 ILE 60 8.843 -8.544 16.279 495 HG13 ILE 60 1HG1 ILE 60 10.432 -9.106 16.788 496 HG21 ILE 60 1HG2 ILE 60 8.729 -6.734 14.330 497 HG22 ILE 60 2HG2 ILE 60 10.237 -6.254 13.552 498 HG23 ILE 60 3HG2 ILE 60 9.903 -5.751 15.208 499 HD11 ILE 60 1HD1 ILE 60 10.946 -6.844 17.602 500 HD12 ILE 60 2HD1 ILE 60 9.529 -7.547 18.381 501 HD13 ILE 60 3HD1 ILE 60 9.326 -6.322 17.132 502 H GLN 61 H GLN 61 12.748 -8.675 13.342 503 HA GLN 61 HA GLN 61 12.588 -6.863 11.250 504 HB2 GLN 61 2HB GLN 61 14.658 -7.347 12.532 505 HB3 GLN 61 1HB GLN 61 14.772 -8.925 11.762 506 HG2 GLN 61 2HG GLN 61 16.336 -7.332 10.748 507 HG3 GLN 61 1HG GLN 61 15.130 -7.856 9.576 508 HE21 GLN 61 1HE2 GLN 61 16.204 -5.198 11.576 509 HE22 GLN 61 2HE2 GLN 61 15.345 -3.955 10.737 510 H ASP 62 H ASP 62 12.621 -10.411 11.147 511 HA ASP 62 HA ASP 62 12.880 -10.644 8.302 512 HB2 ASP 62 2HB ASP 62 13.653 -12.416 9.840 513 HB3 ASP 62 1HB ASP 62 12.001 -12.696 10.379 514 H MET 63 H MET 63 10.128 -11.114 10.565 515 HA MET 63 HA MET 63 8.216 -11.796 8.591 516 HB2 MET 63 2HB MET 63 7.828 -10.680 11.399 517 HB3 MET 63 1HB MET 63 6.501 -11.230 10.380 518 HG2 MET 63 2HG MET 63 7.475 -13.495 10.337 519 HG3 MET 63 1HG MET 63 8.794 -12.944 11.369 520 HE1 MET 63 1HE MET 63 8.478 -12.251 13.954 521 HE2 MET 63 2HE MET 63 6.896 -12.130 14.722 522 HE3 MET 63 3HE MET 63 7.338 -11.009 13.434 523 H VAL 64 H VAL 64 8.963 -8.707 10.166 524 HA VAL 64 HA VAL 64 7.091 -7.081 8.828 525 HB VAL 64 HB VAL 64 9.709 -6.454 10.254 526 HG11 VAL 64 1HG1 VAL 64 9.147 -4.039 10.148 527 HG12 VAL 64 2HG1 VAL 64 7.825 -4.402 9.039 528 HG13 VAL 64 3HG1 VAL 64 9.490 -4.711 8.552 529 HG21 VAL 64 1HG2 VAL 64 6.802 -5.909 10.986 530 HG22 VAL 64 2HG2 VAL 64 8.204 -5.482 11.970 531 HG23 VAL 64 3HG2 VAL 64 7.827 -7.177 11.665 532 H ALA 65 H ALA 65 10.539 -7.817 8.047 533 HA ALA 65 HA ALA 65 10.661 -6.213 5.699 534 HB1 ALA 65 1HB ALA 65 12.695 -7.027 6.821 535 HB2 ALA 65 2HB ALA 65 12.683 -7.483 5.116 536 HB3 ALA 65 3HB ALA 65 12.304 -8.683 6.358 537 H GLY 66 H GLY 66 9.367 -9.396 6.320 538 HA2 GLY 66 2HA GLY 66 9.079 -10.292 3.612 539 HA3 GLY 66 1HA GLY 66 8.204 -10.893 5.017 540 H TYR 67 H TYR 67 6.942 -8.631 5.926 541 HA TYR 67 HA TYR 67 4.690 -8.379 4.197 542 HB2 TYR 67 2HB TYR 67 5.451 -6.746 6.652 543 HB3 TYR 67 1HB TYR 67 3.875 -6.715 5.868 544 HD1 TYR 67 HD1 TYR 67 5.001 -7.624 8.809 545 HD2 TYR 67 HD2 TYR 67 3.378 -9.629 5.393 546 HE1 TYR 67 HE1 TYR 67 4.193 -9.444 10.249 547 HE2 TYR 67 HE2 TYR 67 2.576 -11.438 6.847 548 HH TYR 67 HH TYR 67 3.125 -12.410 9.024 549 H ILE 68 H ILE 68 7.513 -6.427 4.836 550 HA ILE 68 HA ILE 68 6.751 -4.023 3.514 551 HB ILE 68 HB ILE 68 9.406 -5.151 4.488 552 HG12 ILE 68 2HG1 ILE 68 7.797 -2.676 5.264 553 HG13 ILE 68 1HG1 ILE 68 7.924 -4.163 6.190 554 HG21 ILE 68 1HG2 ILE 68 10.574 -3.070 3.803 555 HG22 ILE 68 2HG2 ILE 68 9.141 -2.579 2.903 556 HG23 ILE 68 3HG2 ILE 68 10.027 -4.026 2.422 557 HD11 ILE 68 1HD1 ILE 68 10.136 -2.178 5.670 558 HD12 ILE 68 2HD1 ILE 68 10.320 -3.701 6.547 559 HD13 ILE 68 3HD1 ILE 68 9.267 -2.437 7.182 560 H LYS 69 H LYS 69 8.710 -6.861 2.591 561 HA LYS 69 HA LYS 69 9.379 -5.950 -0.009 562 HB2 LYS 69 2HB LYS 69 10.571 -7.783 1.310 563 HB3 LYS 69 1HB LYS 69 9.232 -8.853 0.918 564 HG2 LYS 69 2HG LYS 69 11.122 -9.248 -0.587 565 HG3 LYS 69 1HG LYS 69 9.736 -8.630 -1.488 566 HD2 LYS 69 2HD LYS 69 11.838 -7.578 -2.246 567 HD3 LYS 69 1HD LYS 69 10.750 -6.383 -1.542 568 HE2 LYS 69 2HE LYS 69 12.058 -6.589 0.612 569 HE3 LYS 69 1HE LYS 69 13.205 -7.614 -0.250 570 HZ1 LYS 69 1HZ LYS 69 12.559 -4.783 -0.865 571 HZ2 LYS 69 2HZ LYS 69 13.596 -5.756 -1.774 572 HZ3 LYS 69 3HZ LYS 69 13.991 -5.369 -0.182 573 H GLN 70 H GLN 70 6.787 -7.966 1.286 574 HA GLN 70 HA GLN 70 5.504 -8.761 -1.084 575 HB2 GLN 70 2HB GLN 70 5.053 -9.743 1.174 576 HB3 GLN 70 1HB GLN 70 4.297 -8.237 1.674 577 HG2 GLN 70 2HG GLN 70 2.576 -9.861 1.171 578 HG3 GLN 70 1HG GLN 70 2.522 -8.584 -0.041 579 HE21 GLN 70 1HE2 GLN 70 1.371 -10.031 -1.441 580 HE22 GLN 70 2HE2 GLN 70 2.191 -11.284 -2.301 581 H THR 71 H THR 71 4.897 -5.975 1.107 582 HA THR 71 HA THR 71 2.709 -5.042 -0.457 583 HB THR 71 HB THR 71 2.920 -4.633 2.026 584 HG1 THR 71 HG1 THR 71 2.405 -2.435 0.268 585 HG21 THR 71 1HG2 THR 71 4.076 -2.608 2.806 586 HG22 THR 71 2HG2 THR 71 4.740 -2.336 1.195 587 HG23 THR 71 3HG2 THR 71 5.244 -3.747 2.130 588 H LEU 72 H LEU 72 6.153 -4.174 -0.379 589 HA LEU 72 HA LEU 72 5.897 -1.814 -1.986 590 HB2 LEU 72 2HB LEU 72 8.261 -3.545 -1.203 591 HB3 LEU 72 1HB LEU 72 8.459 -2.269 -2.392 592 HG LEU 72 HG LEU 72 7.533 -1.827 0.478 593 HD11 LEU 72 1HD1 LEU 72 10.241 -1.252 -0.787 594 HD12 LEU 72 2HD1 LEU 72 9.890 -2.517 0.394 595 HD13 LEU 72 3HD1 LEU 72 9.747 -0.825 0.856 596 HD21 LEU 72 1HD2 LEU 72 7.860 0.583 -0.031 597 HD22 LEU 72 2HD2 LEU 72 6.595 -0.140 -1.022 598 HD23 LEU 72 3HD2 LEU 72 8.186 0.178 -1.719 599 H ASP 73 H ASP 73 6.574 -5.231 -2.685 600 HA ASP 73 HA ASP 73 7.114 -4.940 -5.476 601 HB2 ASP 73 2HB ASP 73 7.838 -6.936 -4.210 602 HB3 ASP 73 1HB ASP 73 6.165 -7.359 -3.867 603 H ASN 74 H ASN 74 4.221 -5.740 -3.611 604 HA ASN 74 HA ASN 74 2.494 -6.234 -5.842 605 HB2 ASN 74 2HB ASN 74 1.945 -5.818 -2.874 606 HB3 ASN 74 1HB ASN 74 0.684 -6.198 -4.043 607 HD21 ASN 74 1HD2 ASN 74 3.906 -7.693 -4.342 608 HD22 ASN 74 2HD2 ASN 74 3.394 -9.256 -3.832 609 H GLU 75 H GLU 75 3.081 -3.478 -3.675 610 HA GLU 75 HA GLU 75 1.102 -1.755 -4.813 611 HB2 GLU 75 2HB GLU 75 2.008 -1.328 -2.541 612 HB3 GLU 75 1HB GLU 75 3.601 -1.018 -3.221 613 HG2 GLU 75 2HG GLU 75 2.574 0.916 -4.498 614 HG3 GLU 75 1HG GLU 75 1.092 0.648 -3.586 615 H GLN 76 H GLN 76 4.503 -2.444 -5.519 616 HA GLN 76 HA GLN 76 5.076 -0.401 -7.362 617 HB2 GLN 76 2HB GLN 76 6.785 -1.992 -6.540 618 HB3 GLN 76 1HB GLN 76 5.994 -3.311 -7.387 619 HG2 GLN 76 2HG GLN 76 6.530 -2.201 -9.548 620 HG3 GLN 76 1HG GLN 76 7.379 -0.936 -8.659 621 HE21 GLN 76 1HE2 GLN 76 7.452 -4.408 -7.863 622 HE22 GLN 76 2HE2 GLN 76 9.127 -4.625 -8.214 623 H LEU 77 H LEU 77 3.834 -3.687 -7.918 624 HA LEU 77 HA LEU 77 3.217 -3.471 -10.649 625 HB2 LEU 77 2HB LEU 77 1.969 -5.231 -8.503 626 HB3 LEU 77 1HB LEU 77 1.741 -5.460 -10.232 627 HG LEU 77 HG LEU 77 4.417 -5.664 -8.790 628 HD11 LEU 77 1HD1 LEU 77 2.993 -7.512 -8.143 629 HD12 LEU 77 2HD1 LEU 77 4.255 -8.089 -9.227 630 HD13 LEU 77 3HD1 LEU 77 2.613 -7.861 -9.831 631 HD21 LEU 77 1HD2 LEU 77 4.701 -4.920 -11.095 632 HD22 LEU 77 2HD2 LEU 77 3.700 -6.253 -11.679 633 HD23 LEU 77 3HD2 LEU 77 5.259 -6.584 -10.918 634 H LEU 78 H LEU 78 1.220 -2.851 -7.759 635 HA LEU 78 HA LEU 78 -1.218 -2.172 -8.926 636 HB2 LEU 78 2HB LEU 78 0.132 -1.309 -6.356 637 HB3 LEU 78 1HB LEU 78 -1.363 -0.520 -6.824 638 HG LEU 78 HG LEU 78 -1.105 -3.530 -6.442 639 HD11 LEU 78 1HD1 LEU 78 -0.751 -2.355 -4.293 640 HD12 LEU 78 2HD1 LEU 78 -2.265 -3.259 -4.315 641 HD13 LEU 78 3HD1 LEU 78 -2.284 -1.500 -4.509 642 HD21 LEU 78 1HD2 LEU 78 -3.530 -1.733 -6.801 643 HD22 LEU 78 2HD2 LEU 78 -3.567 -3.469 -6.490 644 HD23 LEU 78 3HD2 LEU 78 -2.880 -2.864 -7.992 645 H LYS 79 H LYS 79 1.441 0.085 -8.079 646 HA LYS 79 HA LYS 79 -0.038 2.379 -8.903 647 HB2 LYS 79 2HB LYS 79 1.871 3.696 -8.207 648 HB3 LYS 79 1HB LYS 79 1.595 2.424 -7.030 649 HG2 LYS 79 2HG LYS 79 3.473 1.181 -8.520 650 HG3 LYS 79 1HG LYS 79 3.924 2.850 -8.866 651 HD2 LYS 79 2HD LYS 79 3.733 1.548 -6.119 652 HD3 LYS 79 1HD LYS 79 5.213 1.985 -6.965 653 HE2 LYS 79 2HE LYS 79 4.719 4.349 -6.715 654 HE3 LYS 79 1HE LYS 79 3.125 3.986 -6.042 655 HZ1 LYS 79 1HZ LYS 79 4.770 4.523 -4.317 656 HZ2 LYS 79 2HZ LYS 79 5.702 3.191 -4.793 657 HZ3 LYS 79 3HZ LYS 79 4.163 2.949 -4.149 658 H GLY 80 H GLY 80 2.356 0.325 -10.445 659 HA2 GLY 80 2HA GLY 80 2.864 2.001 -12.726 660 HA3 GLY 80 1HA GLY 80 3.196 0.279 -12.594 661 H LEU 81 H LEU 81 0.798 -0.852 -12.171 662 HA LEU 81 HA LEU 81 -0.469 -1.022 -14.661 663 HB2 LEU 81 2HB LEU 81 -0.563 -2.828 -13.060 664 HB3 LEU 81 1HB LEU 81 -1.365 -1.836 -11.868 665 HG LEU 81 HG LEU 81 -2.815 -2.453 -14.468 666 HD11 LEU 81 1HD1 LEU 81 -3.770 -4.506 -13.499 667 HD12 LEU 81 2HD1 LEU 81 -2.687 -4.368 -12.109 668 HD13 LEU 81 3HD1 LEU 81 -2.025 -4.650 -13.721 669 HD21 LEU 81 1HD2 LEU 81 -3.876 -0.861 -12.908 670 HD22 LEU 81 2HD2 LEU 81 -3.821 -2.064 -11.621 671 HD23 LEU 81 3HD2 LEU 81 -4.829 -2.338 -13.044 672 H LEU 82 H LEU 82 -1.400 0.720 -11.744 673 HA LEU 82 HA LEU 82 -3.874 1.750 -12.703 674 HB2 LEU 82 2HB LEU 82 -2.164 2.331 -10.260 675 HB3 LEU 82 1HB LEU 82 -3.669 3.187 -10.557 676 HG LEU 82 HG LEU 82 -3.596 0.146 -10.397 677 HD11 LEU 82 1HD1 LEU 82 -4.275 0.278 -8.048 678 HD12 LEU 82 2HD1 LEU 82 -4.069 2.032 -8.065 679 HD13 LEU 82 3HD1 LEU 82 -2.673 0.974 -8.281 680 HD21 LEU 82 1HD2 LEU 82 -5.820 2.176 -10.033 681 HD22 LEU 82 2HD2 LEU 82 -5.980 0.427 -9.845 682 HD23 LEU 82 3HD2 LEU 82 -5.585 1.105 -11.421 683 H GLN 83 H GLN 83 -0.550 3.017 -12.545 684 HA GLN 83 HA GLN 83 -1.040 5.679 -13.330 685 HB2 GLN 83 2HB GLN 83 1.177 4.972 -12.572 686 HB3 GLN 83 1HB GLN 83 1.326 3.847 -13.916 687 HG2 GLN 83 2HG GLN 83 1.318 5.827 -15.479 688 HG3 GLN 83 1HG GLN 83 1.356 6.877 -14.062 689 HE21 GLN 83 1HE2 GLN 83 3.125 4.461 -15.885 690 HE22 GLN 83 2HE2 GLN 83 4.689 4.832 -15.248 691 H GLN 84 H GLN 84 -0.262 2.802 -15.299 692 HA GLN 84 HA GLN 84 -0.551 4.077 -17.835 693 HB2 GLN 84 2HB GLN 84 0.847 2.065 -17.505 694 HB3 GLN 84 1HB GLN 84 -0.584 1.116 -17.127 695 HG2 GLN 84 2HG GLN 84 -1.429 1.533 -19.438 696 HG3 GLN 84 1HG GLN 84 0.060 2.405 -19.800 697 HE21 GLN 84 1HE2 GLN 84 -0.019 -0.530 -17.830 698 HE22 GLN 84 2HE2 GLN 84 0.762 -1.539 -18.991 699 H ARG 85 H ARG 85 -2.766 2.346 -15.713 700 HA ARG 85 HA ARG 85 -4.841 1.911 -17.634 701 HB2 ARG 85 2HB ARG 85 -4.699 0.562 -15.532 702 HB3 ARG 85 1HB ARG 85 -5.095 1.996 -14.587 703 HG2 ARG 85 2HG ARG 85 -7.090 0.614 -14.857 704 HG3 ARG 85 1HG ARG 85 -7.302 2.129 -15.736 705 HD2 ARG 85 2HD ARG 85 -6.545 0.868 -17.832 706 HD3 ARG 85 1HD ARG 85 -6.694 -0.617 -16.885 707 HE ARG 85 HE ARG 85 -9.120 0.531 -16.560 708 HH11 ARG 85 1HH1 ARG 85 -7.225 -0.164 -19.459 709 HH12 ARG 85 2HH1 ARG 85 -8.626 -0.368 -20.464 710 HH21 ARG 85 1HH2 ARG 85 -10.946 0.288 -17.912 711 HH22 ARG 85 2HH2 ARG 85 -10.736 -0.114 -19.587 712 H LEU 86 H LEU 86 -4.351 4.347 -15.054 713 HA LEU 86 HA LEU 86 -6.605 5.949 -15.638 714 HB2 LEU 86 2HB LEU 86 -3.955 6.621 -14.308 715 HB3 LEU 86 1HB LEU 86 -5.241 7.805 -14.477 716 HG LEU 86 HG LEU 86 -5.500 5.191 -12.931 717 HD11 LEU 86 1HD1 LEU 86 -5.152 8.003 -11.838 718 HD12 LEU 86 2HD1 LEU 86 -3.917 6.742 -11.851 719 HD13 LEU 86 3HD1 LEU 86 -5.379 6.524 -10.901 720 HD21 LEU 86 1HD2 LEU 86 -7.655 5.933 -13.810 721 HD22 LEU 86 2HD2 LEU 86 -7.411 7.546 -13.137 722 HD23 LEU 86 3HD2 LEU 86 -7.600 6.158 -12.063 723 H ASP 87 H ASP 87 -3.341 5.851 -17.001 724 HA ASP 87 HA ASP 87 -3.432 8.171 -18.599 725 HB2 ASP 87 2HB ASP 87 -1.341 6.910 -18.199 726 HB3 ASP 87 1HB ASP 87 -1.966 5.531 -19.089 727 H GLU 88 H GLU 88 -4.432 4.804 -19.279 728 HA GLU 88 HA GLU 88 -5.384 5.105 -21.909 729 HB2 GLU 88 2HB GLU 88 -6.337 3.212 -19.716 730 HB3 GLU 88 1HB GLU 88 -6.824 3.092 -21.404 731 HG2 GLU 88 2HG GLU 88 -4.465 2.688 -22.042 732 HG3 GLU 88 1HG GLU 88 -4.004 2.768 -20.342 733 H LEU 89 H LEU 89 -7.166 5.145 -18.835 734 HA LEU 89 HA LEU 89 -9.728 5.711 -19.706 735 HB2 LEU 89 2HB LEU 89 -8.417 6.567 -17.089 736 HB3 LEU 89 1HB LEU 89 -10.151 6.533 -17.383 737 HG LEU 89 HG LEU 89 -8.362 4.073 -17.424 738 HD11 LEU 89 1HD1 LEU 89 -9.319 3.516 -15.244 739 HD12 LEU 89 2HD1 LEU 89 -10.205 5.040 -15.224 740 HD13 LEU 89 3HD1 LEU 89 -8.441 5.041 -15.185 741 HD21 LEU 89 1HD2 LEU 89 -11.390 4.296 -17.495 742 HD22 LEU 89 2HD2 LEU 89 -10.467 2.794 -17.396 743 HD23 LEU 89 3HD2 LEU 89 -10.347 3.806 -18.833 744 H SER 90 H SER 90 -7.137 7.963 -18.789 745 HA SER 90 HA SER 90 -8.607 10.372 -19.124 746 HB2 SER 90 2HB SER 90 -5.603 9.863 -19.137 747 HB3 SER 90 1HB SER 90 -6.350 11.462 -19.068 748 HG SER 90 HG SER 90 -5.905 9.727 -17.075 749 H SER 91 H SER 91 -6.654 8.403 -21.304 750 HA SER 91 HA SER 91 -6.710 10.191 -23.540 751 HB2 SER 91 2HB SER 91 -5.051 8.343 -23.250 752 HB3 SER 91 1HB SER 91 -6.340 7.163 -23.486 753 HG SER 91 HG SER 91 -4.880 8.071 -25.339 754 H LEU 92 H LEU 92 -8.957 7.794 -22.242 755 HA LEU 92 HA LEU 92 -10.677 7.692 -24.578 756 HB2 LEU 92 2HB LEU 92 -11.355 6.821 -21.737 757 HB3 LEU 92 1HB LEU 92 -12.169 6.330 -23.213 758 HG LEU 92 HG LEU 92 -9.382 5.524 -22.328 759 HD11 LEU 92 1HD1 LEU 92 -10.270 3.249 -22.169 760 HD12 LEU 92 2HD1 LEU 92 -11.880 3.845 -22.585 761 HD13 LEU 92 3HD1 LEU 92 -11.106 4.363 -21.086 762 HD21 LEU 92 1HD2 LEU 92 -9.250 4.081 -24.295 763 HD22 LEU 92 2HD2 LEU 92 -9.368 5.778 -24.748 764 HD23 LEU 92 3HD2 LEU 92 -10.784 4.730 -24.889 765 H ILE 93 H ILE 93 -10.619 9.394 -21.483 766 HA ILE 93 HA ILE 93 -13.200 10.634 -21.621 767 HB ILE 93 HB ILE 93 -10.737 11.272 -19.911 768 HG12 ILE 93 2HG1 ILE 93 -13.337 9.916 -19.041 769 HG13 ILE 93 1HG1 ILE 93 -11.903 9.027 -19.534 770 HG21 ILE 93 1HG2 ILE 93 -13.541 12.419 -19.606 771 HG22 ILE 93 2HG2 ILE 93 -12.100 13.311 -20.096 772 HG23 ILE 93 3HG2 ILE 93 -12.213 12.650 -18.466 773 HD11 ILE 93 1HD1 ILE 93 -10.649 10.024 -17.674 774 HD12 ILE 93 2HD1 ILE 93 -12.062 9.121 -17.128 775 HD13 ILE 93 3HD1 ILE 93 -12.105 10.884 -17.164 776 H GLY 94 H GLY 94 -9.866 11.704 -22.222 777 HA2 GLY 94 2HA GLY 94 -10.113 13.233 -24.424 778 HA3 GLY 94 1HA GLY 94 -10.634 14.342 -23.157 779 H GLN 95 H GLN 95 -9.143 14.694 -21.340 780 HA GLN 95 HA GLN 95 -6.344 14.104 -21.630 781 HB2 GLN 95 2HB GLN 95 -5.527 16.367 -22.024 782 HB3 GLN 95 1HB GLN 95 -6.610 15.925 -23.332 783 HG2 GLN 95 2HG GLN 95 -7.362 17.709 -20.992 784 HG3 GLN 95 1HG GLN 95 -6.855 18.286 -22.574 785 HE21 GLN 95 1HE2 GLN 95 -9.403 18.671 -21.085 786 HE22 GLN 95 2HE2 GLN 95 -10.645 18.142 -22.163 787 H VAL 96 H VAL 96 -5.249 14.397 -19.725 788 HA VAL 96 HA VAL 96 -6.333 16.135 -17.600 789 HB VAL 96 HB VAL 96 -5.818 14.563 -15.822 790 HG11 VAL 96 1HG1 VAL 96 -7.524 13.150 -17.901 791 HG12 VAL 96 2HG1 VAL 96 -8.074 14.343 -16.720 792 HG13 VAL 96 3HG1 VAL 96 -7.481 12.774 -16.174 793 HG21 VAL 96 1HG2 VAL 96 -5.042 12.225 -16.235 794 HG22 VAL 96 2HG2 VAL 96 -3.859 13.432 -16.733 795 HG23 VAL 96 3HG2 VAL 96 -4.841 12.611 -17.948 796 H LEU 97 H LEU 97 -4.650 16.796 -16.037 797 HA LEU 97 HA LEU 97 -1.857 16.149 -16.711 798 HB2 LEU 97 2HB LEU 97 -2.980 18.949 -16.292 799 HB3 LEU 97 1HB LEU 97 -1.273 18.590 -16.093 800 HG LEU 97 HG LEU 97 -2.842 18.297 -18.692 801 HD11 LEU 97 1HD1 LEU 97 -0.731 20.346 -17.922 802 HD12 LEU 97 2HD1 LEU 97 -2.461 20.651 -18.098 803 HD13 LEU 97 3HD1 LEU 97 -1.506 20.189 -19.502 804 HD21 LEU 97 1HD2 LEU 97 -1.090 16.602 -18.557 805 HD22 LEU 97 2HD2 LEU 97 0.111 17.824 -18.133 806 HD23 LEU 97 3HD2 LEU 97 -0.638 17.836 -19.733 807 H PHE 98 H PHE 98 -0.797 15.484 -14.976 808 HA PHE 98 HA PHE 98 -1.989 15.227 -12.413 809 HB2 PHE 98 2HB PHE 98 0.291 14.301 -11.741 810 HB3 PHE 98 1HB PHE 98 -0.490 13.488 -13.087 811 HD1 PHE 98 HD1 PHE 98 2.412 15.520 -12.076 812 HD2 PHE 98 HD2 PHE 98 0.395 13.740 -15.409 813 HE1 PHE 98 HE1 PHE 98 4.410 15.846 -13.478 814 HE2 PHE 98 HE2 PHE 98 2.400 14.077 -16.797 815 HZ PHE 98 HZ PHE 98 4.396 15.137 -15.836 816 H GLN 99 H GLN 99 0.230 17.573 -13.796 817 HA GLN 99 HA GLN 99 0.246 19.120 -11.281 818 HB2 GLN 99 2HB GLN 99 1.621 19.686 -13.949 819 HB3 GLN 99 1HB GLN 99 1.766 20.677 -12.503 820 HG2 GLN 99 2HG GLN 99 2.770 17.845 -12.868 821 HG3 GLN 99 1HG GLN 99 3.747 19.306 -12.772 822 HE21 GLN 99 1HE2 GLN 99 1.916 16.964 -10.974 823 HE22 GLN 99 2HE2 GLN 99 2.428 17.464 -9.405 824 H GLY 100 H GLY 100 -1.093 20.871 -11.031 825 HA2 GLY 100 2HA GLY 100 -2.648 22.509 -11.485 826 HA3 GLY 100 1HA GLY 100 -2.361 22.278 -13.201 827 HA PRO 101 HA PRO 101 -5.896 19.164 -11.835 828 HB2 PRO 101 2HB PRO 101 -7.219 19.775 -9.506 829 HB3 PRO 101 1HB PRO 101 -5.774 18.743 -9.544 830 HG2 PRO 101 2HG PRO 101 -5.974 21.670 -8.888 831 HG3 PRO 101 1HG PRO 101 -5.084 20.390 -8.032 832 HD2 PRO 101 2HD PRO 101 -3.852 22.088 -9.750 833 HD3 PRO 101 1HD PRO 101 -3.328 20.398 -9.567 834 H SER 102 H SER 102 -5.852 22.534 -12.102 835 HA SER 102 HA SER 102 -8.667 23.107 -12.180 836 HB2 SER 102 2HB SER 102 -6.908 24.839 -11.691 837 HB3 SER 102 1HB SER 102 -6.365 24.736 -13.363 838 HG SER 102 HG SER 102 -8.952 25.502 -12.466 839 H ALA 103 H ALA 103 -6.147 22.591 -14.656 840 HA ALA 103 HA ALA 103 -8.228 22.275 -16.744 841 HB1 ALA 103 1HB ALA 103 -5.283 22.934 -17.109 842 HB2 ALA 103 2HB ALA 103 -6.616 24.087 -17.204 843 HB3 ALA 103 3HB ALA 103 -6.488 22.788 -18.390 844 H GLY 104 H GLY 104 -8.520 20.182 -15.664 845 HA2 GLY 104 2HA GLY 104 -8.096 17.986 -17.029 846 HA3 GLY 104 1HA GLY 104 -6.516 18.106 -16.255 847 H LEU 105 H LEU 105 -7.490 15.916 -15.608 848 HA LEU 105 HA LEU 105 -8.119 14.476 -13.999 849 HB2 LEU 105 2HB LEU 105 -7.812 16.896 -12.175 850 HB3 LEU 105 1HB LEU 105 -7.921 15.230 -11.625 851 HG LEU 105 HG LEU 105 -5.653 16.418 -13.285 852 HD11 LEU 105 1HD1 LEU 105 -5.661 15.490 -10.395 853 HD12 LEU 105 2HD1 LEU 105 -5.583 17.162 -10.960 854 HD13 LEU 105 3HD1 LEU 105 -4.257 16.057 -11.304 855 HD21 LEU 105 1HD2 LEU 105 -4.521 14.240 -13.027 856 HD22 LEU 105 2HD2 LEU 105 -6.026 14.084 -13.931 857 HD23 LEU 105 3HD2 LEU 105 -5.960 13.579 -12.242 858 H VAL 106 H VAL 106 -10.107 15.525 -15.527 859 HA VAL 106 HA VAL 106 -12.323 15.589 -15.837 860 HB VAL 106 HB VAL 106 -12.457 14.180 -13.128 861 HG11 VAL 106 1HG1 VAL 106 -14.576 14.272 -15.315 862 HG12 VAL 106 2HG1 VAL 106 -14.682 15.048 -13.734 863 HG13 VAL 106 3HG1 VAL 106 -14.651 13.289 -13.849 864 HG21 VAL 106 1HG2 VAL 106 -12.332 13.009 -15.938 865 HG22 VAL 106 2HG2 VAL 106 -12.517 12.083 -14.445 866 HG23 VAL 106 3HG2 VAL 106 -11.029 12.988 -14.742 867 HA PRO 107 HA PRO 107 -13.049 19.379 -13.221 868 HB2 PRO 107 2HB PRO 107 -12.543 21.320 -15.062 869 HB3 PRO 107 1HB PRO 107 -11.242 20.530 -14.151 870 HG2 PRO 107 2HG PRO 107 -12.024 20.168 -16.994 871 HG3 PRO 107 1HG PRO 107 -10.432 19.996 -16.228 872 HD2 PRO 107 2HD PRO 107 -12.239 17.886 -16.895 873 HD3 PRO 107 1HD PRO 107 -10.733 17.747 -15.967 874 H ARG 108 H ARG 108 -15.222 19.268 -12.981 875 HA ARG 108 HA ARG 108 -17.457 19.291 -13.304 876 HB2 ARG 108 2HB ARG 108 -16.613 21.201 -15.510 877 HB3 ARG 108 1HB ARG 108 -18.309 20.815 -15.258 878 HG2 ARG 108 2HG ARG 108 -16.515 21.989 -13.108 879 HG3 ARG 108 1HG ARG 108 -17.542 22.947 -14.177 880 HD2 ARG 108 2HD ARG 108 -18.490 20.840 -12.203 881 HD3 ARG 108 1HD ARG 108 -18.639 22.592 -12.015 882 HE ARG 108 HE ARG 108 -19.880 22.074 -14.394 883 HH11 ARG 108 1HH1 ARG 108 -20.372 20.898 -11.112 884 HH12 ARG 108 2HH1 ARG 108 -22.070 20.620 -11.354 885 HH21 ARG 108 1HH2 ARG 108 -22.090 21.653 -14.700 886 HH22 ARG 108 2HH2 ARG 108 -23.037 21.045 -13.379 887 H GLY 109 H GLY 109 -15.829 17.202 -14.575 888 HA2 GLY 109 2HA GLY 109 -17.123 16.440 -17.058 889 HA3 GLY 109 1HA GLY 109 -15.918 15.526 -16.160 890 H SER 110 H SER 110 -17.234 13.650 -16.631 891 HA SER 110 HA SER 110 -19.926 13.384 -15.769 892 HB2 SER 110 2HB SER 110 -18.944 11.983 -17.566 893 HB3 SER 110 1HB SER 110 -17.888 11.202 -16.391 894 HG SER 110 HG SER 110 -20.727 11.130 -16.442 895 H GLY 111 H GLY 111 -20.804 12.532 -13.919 896 HA2 GLY 111 2HA GLY 111 -19.446 13.016 -11.488 897 HA3 GLY 111 1HA GLY 111 -21.032 12.288 -11.658 898 H GLY 112 H GLY 112 -19.896 10.042 -13.309 899 HA2 GLY 112 2HA GLY 112 -19.405 8.174 -11.190 900 HA3 GLY 112 1HA GLY 112 -19.327 7.845 -12.914 901 H ILE 113 H ILE 113 -17.362 9.331 -13.882 902 HA ILE 113 HA ILE 113 -14.989 7.993 -13.038 903 HB ILE 113 HB ILE 113 -13.785 9.423 -14.731 904 HG12 ILE 113 2HG1 ILE 113 -16.542 10.662 -15.183 905 HG13 ILE 113 1HG1 ILE 113 -15.140 11.488 -14.524 906 HG21 ILE 113 1HG2 ILE 113 -16.308 8.091 -15.768 907 HG22 ILE 113 2HG2 ILE 113 -14.785 7.283 -15.394 908 HG23 ILE 113 3HG2 ILE 113 -14.860 8.450 -16.711 909 HD11 ILE 113 1HD1 ILE 113 -15.416 10.447 -17.346 910 HD12 ILE 113 2HD1 ILE 113 -14.002 11.275 -16.684 911 HD13 ILE 113 3HD1 ILE 113 -15.539 12.124 -16.818 912 H GLU 114 H GLU 114 -16.381 11.083 -12.192 913 HA GLU 114 HA GLU 114 -14.294 12.597 -11.229 914 HB2 GLU 114 2HB GLU 114 -16.608 13.381 -11.199 915 HB3 GLU 114 1HB GLU 114 -17.063 12.138 -10.043 916 HG2 GLU 114 2HG GLU 114 -16.935 14.293 -8.930 917 HG3 GLU 114 1HG GLU 114 -15.673 13.226 -8.317 918 H GLY 115 H GLY 115 -16.102 10.077 -9.455 919 HA2 GLY 115 2HA GLY 115 -14.693 10.085 -7.031 920 HA3 GLY 115 1HA GLY 115 -15.612 8.729 -7.671 921 H MET1001 H MET 1 -14.344 7.888 -9.812 922 HA MET1001 HA MET 1 -12.288 6.274 -8.845 923 HB2 MET1001 2HB MET 1 -13.637 5.639 -10.774 924 HB3 MET1001 1HB MET 1 -13.026 6.996 -11.708 925 HG2 MET1001 2HG MET 1 -10.764 5.966 -11.681 926 HG3 MET1001 1HG MET 1 -11.423 4.591 -10.792 927 HE1 MET1001 1HE MET 1 -11.588 6.633 -14.178 928 HE2 MET1001 2HE MET 1 -13.287 6.556 -13.698 929 HE3 MET1001 3HE MET 1 -12.728 5.658 -15.108 930 H THR1002 H THR 2 -12.028 9.228 -10.851 931 HA THR1002 HA THR 2 -9.206 8.983 -11.243 932 HB THR1002 HB THR 2 -9.402 11.353 -12.174 933 HG1 THR1002 HG1 THR 2 -11.169 12.180 -11.148 934 HG21 THR1002 1HG2 THR 2 -9.580 9.383 -13.651 935 HG22 THR1002 2HG2 THR 2 -10.658 10.673 -14.188 936 HG23 THR1002 3HG2 THR 2 -11.312 9.279 -13.323 937 H THR1003 H THR 3 -11.232 11.137 -9.120 938 HA THR1003 HA THR 3 -9.008 12.599 -8.140 939 HB THR1003 HB THR 3 -11.427 13.364 -7.937 940 HG1 THR1003 HG1 THR 3 -10.171 14.673 -6.832 941 HG21 THR1003 1HG2 THR 3 -11.467 11.600 -5.453 942 HG22 THR1003 2HG2 THR 3 -12.444 11.354 -6.903 943 HG23 THR1003 3HG2 THR 3 -12.696 12.787 -5.907 944 H ARG1004 H ARG 4 -10.687 9.707 -6.934 945 HA ARG1004 HA ARG 4 -9.296 9.379 -4.518 946 HB2 ARG1004 2HB ARG 4 -10.722 7.372 -6.306 947 HB3 ARG1004 1HB ARG 4 -9.944 6.887 -4.803 948 HG2 ARG1004 2HG ARG 4 -11.424 8.513 -3.583 949 HG3 ARG1004 1HG ARG 4 -12.278 8.805 -5.099 950 HD2 ARG1004 2HD ARG 4 -13.002 6.491 -5.199 951 HD3 ARG1004 1HD ARG 4 -11.994 6.063 -3.813 952 HE ARG1004 HE ARG 4 -14.454 7.699 -3.743 953 HH11 ARG1004 1HH1 ARG 4 -12.034 5.813 -2.003 954 HH12 ARG1004 2HH1 ARG 4 -12.948 5.795 -0.525 955 HH21 ARG1004 1HH2 ARG 4 -15.652 7.628 -1.813 956 HH22 ARG1004 2HH2 ARG 4 -14.998 6.826 -0.421 957 H LEU1005 H LEU 5 -8.725 7.808 -7.703 958 HA LEU1005 HA LEU 5 -6.444 6.373 -6.830 959 HB2 LEU1005 2HB LEU 5 -7.538 6.904 -9.606 960 HB3 LEU1005 1HB LEU 5 -6.088 5.950 -9.339 961 HG LEU1005 HG LEU 5 -8.870 5.253 -8.307 962 HD11 LEU1005 1HD1 LEU 5 -8.665 4.952 -10.732 963 HD12 LEU1005 2HD1 LEU 5 -8.797 3.399 -9.913 964 HD13 LEU1005 3HD1 LEU 5 -7.226 3.951 -10.507 965 HD21 LEU1005 1HD2 LEU 5 -7.149 4.481 -6.734 966 HD22 LEU1005 2HD2 LEU 5 -6.276 3.682 -8.043 967 HD23 LEU1005 3HD2 LEU 5 -7.881 3.113 -7.572 968 H THR1006 H THR 6 -6.713 9.636 -8.202 969 HA THR1006 HA THR 6 -3.904 9.894 -8.790 970 HB THR1006 HB THR 6 -4.305 12.398 -8.763 971 HG1 THR1006 HG1 THR 6 -7.033 11.693 -8.358 972 HG21 THR1006 1HG2 THR 6 -4.558 11.122 -10.860 973 HG22 THR1006 2HG2 THR 6 -5.721 12.446 -10.786 974 HG23 THR1006 3HG2 THR 6 -6.249 10.793 -10.467 975 H ARG1007 H ARG 7 -5.939 10.947 -5.997 976 HA ARG1007 HA ARG 7 -3.842 11.873 -4.318 977 HB2 ARG1007 2HB ARG 7 -6.440 10.545 -3.430 978 HB3 ARG1007 1HB ARG 7 -5.410 11.565 -2.429 979 HG2 ARG1007 2HG ARG 7 -5.972 13.520 -3.753 980 HG3 ARG1007 1HG ARG 7 -6.860 12.524 -4.908 981 HD2 ARG1007 2HD ARG 7 -8.329 11.832 -2.872 982 HD3 ARG1007 1HD ARG 7 -7.610 13.228 -2.063 983 HE ARG1007 HE ARG 7 -8.991 13.531 -4.654 984 HH11 ARG1007 1HH1 ARG 7 -8.837 14.351 -1.233 985 HH12 ARG1007 2HH1 ARG 7 -10.051 15.584 -1.352 986 HH21 ARG1007 1HH2 ARG 7 -10.596 15.111 -4.797 987 HH22 ARG1007 2HH2 ARG 7 -11.052 16.015 -3.387 988 H TRP1008 H TRP 8 -5.070 8.716 -5.028 989 HA TRP1008 HA TRP 8 -3.916 7.214 -2.911 990 HB2 TRP1008 2HB TRP 8 -5.790 6.195 -3.832 991 HB3 TRP1008 1HB TRP 8 -5.383 6.650 -5.470 992 HD1 TRP1008 HD1 TRP 8 -3.819 4.979 -6.860 993 HE1 TRP1008 HE1 TRP 8 -3.340 2.490 -6.570 994 HE3 TRP1008 HE3 TRP 8 -5.402 4.371 -2.047 995 HZ2 TRP1008 HZ2 TRP 8 -3.628 0.497 -4.635 996 HZ3 TRP1008 HZ3 TRP 8 -5.280 2.128 -1.048 997 HH2 TRP1008 HH2 TRP 8 -4.405 0.236 -2.319 998 H LEU1009 H LEU 9 -2.881 7.875 -6.303 999 HA LEU1009 HA LEU 9 -0.622 6.071 -6.183 1000 HB2 LEU1009 2HB LEU 9 -1.276 8.292 -8.170 1001 HB3 LEU1009 1HB LEU 9 0.116 7.235 -8.319 1002 HG LEU1009 HG LEU 9 -2.807 6.407 -8.535 1003 HD11 LEU1009 1HD1 LEU 9 -2.256 5.866 -10.874 1004 HD12 LEU1009 2HD1 LEU 9 -0.614 6.472 -10.636 1005 HD13 LEU1009 3HD1 LEU 9 -1.988 7.573 -10.523 1006 HD21 LEU1009 1HD2 LEU 9 -1.534 4.625 -7.430 1007 HD22 LEU1009 2HD2 LEU 9 -0.351 4.638 -8.741 1008 HD23 LEU1009 3HD2 LEU 9 -2.020 4.146 -9.058 1009 H THR1010 H THR 10 -1.194 9.518 -5.754 1010 HA THR1010 HA THR 10 1.378 10.434 -5.153 1011 HB THR1010 HB THR 10 -1.346 11.258 -4.056 1012 HG1 THR1010 HG1 THR 10 0.235 12.130 -6.252 1013 HG21 THR1010 1HG2 THR 10 0.387 12.089 -2.537 1014 HG22 THR1010 2HG2 THR 10 -0.339 13.414 -3.448 1015 HG23 THR1010 3HG2 THR 10 1.257 12.810 -3.896 1016 H ALA1011 H ALA 11 -1.090 8.886 -3.082 1017 HA ALA1011 HA ALA 11 0.365 9.053 -0.624 1018 HB1 ALA1011 1HB ALA 11 -1.995 7.296 -1.377 1019 HB2 ALA1011 2HB ALA 11 -2.086 8.925 -0.708 1020 HB3 ALA1011 3HB ALA 11 -1.421 7.614 0.266 1021 H LEU1012 H LEU 12 0.232 6.704 -3.223 1022 HA LEU1012 HA LEU 12 1.455 4.519 -1.812 1023 HB2 LEU1012 2HB LEU 12 1.295 5.001 -4.826 1024 HB3 LEU1012 1HB LEU 12 1.830 3.514 -4.064 1025 HG LEU1012 HG LEU 12 -0.979 4.623 -4.237 1026 HD11 LEU1012 1HD1 LEU 12 0.201 1.950 -5.036 1027 HD12 LEU1012 2HD1 LEU 12 -0.245 3.271 -6.119 1028 HD13 LEU1012 3HD1 LEU 12 -1.492 2.425 -5.208 1029 HD21 LEU1012 1HD2 LEU 12 -0.090 2.388 -2.390 1030 HD22 LEU1012 2HD2 LEU 12 -1.764 2.826 -2.750 1031 HD23 LEU1012 3HD2 LEU 12 -0.722 3.966 -1.906 1032 H ASP1013 H ASP 13 2.541 7.124 -3.940 1033 HA ASP1013 HA ASP 13 5.299 6.319 -4.025 1034 HB2 ASP1013 2HB ASP 13 4.205 7.675 -5.831 1035 HB3 ASP1013 1HB ASP 13 4.067 9.028 -4.713 1036 H ASN1014 H ASN 14 3.354 8.457 -2.019 1037 HA ASN1014 HA ASN 14 5.388 9.778 -0.552 1038 HB2 ASN1014 2HB ASN 14 2.987 10.503 -0.579 1039 HB3 ASN1014 1HB ASN 14 2.542 9.056 0.321 1040 HD21 ASN1014 1HD2 ASN 14 1.765 10.119 2.120 1041 HD22 ASN1014 2HD2 ASN 14 2.744 11.055 3.186 1042 H PHE1015 H PHE 15 3.474 6.841 0.063 1043 HA PHE1015 HA PHE 15 4.632 5.932 2.430 1044 HB2 PHE1015 2HB PHE 15 2.615 4.883 1.668 1045 HB3 PHE1015 1HB PHE 15 3.314 4.484 0.105 1046 HD1 PHE1015 HD1 PHE 15 4.027 2.291 -0.241 1047 HD2 PHE1015 HD2 PHE 15 3.818 3.721 3.770 1048 HE1 PHE1015 HE1 PHE 15 4.583 0.047 0.578 1049 HE2 PHE1015 HE2 PHE 15 4.379 1.468 4.595 1050 HZ PHE1015 HZ PHE 15 4.756 -0.371 2.999 1051 H GLU1016 H GLU 16 5.328 4.820 -0.891 1052 HA GLU1016 HA GLU 16 7.454 3.154 -0.476 1053 HB2 GLU1016 2HB GLU 16 6.240 3.449 -2.628 1054 HB3 GLU1016 1HB GLU 16 7.037 5.002 -2.863 1055 HG2 GLU1016 2HG GLU 16 9.247 3.771 -2.890 1056 HG3 GLU1016 1HG GLU 16 8.341 2.260 -2.849 1057 H ALA1017 H ALA 17 7.548 6.676 -0.965 1058 HA ALA1017 HA ALA 17 10.354 6.986 -1.070 1059 HB1 ALA1017 1HB ALA 17 8.258 9.012 -0.225 1060 HB2 ALA1017 2HB ALA 17 8.799 8.706 -1.874 1061 HB3 ALA1017 3HB ALA 17 9.928 9.371 -0.696 1062 H LYS1018 H LYS 18 8.129 7.809 1.666 1063 HA LYS1018 HA LYS 18 10.206 8.367 3.507 1064 HB2 LYS1018 2HB LYS 18 7.243 7.860 3.825 1065 HB3 LYS1018 1HB LYS 18 8.245 7.900 5.263 1066 HG2 LYS1018 2HG LYS 18 7.229 10.042 4.982 1067 HG3 LYS1018 1HG LYS 18 8.959 10.211 4.671 1068 HD2 LYS1018 2HD LYS 18 8.542 10.263 2.253 1069 HD3 LYS1018 1HD LYS 18 6.820 9.965 2.524 1070 HE2 LYS1018 2HE LYS 18 6.642 12.117 3.728 1071 HE3 LYS1018 1HE LYS 18 8.357 12.419 3.441 1072 HZ1 LYS1018 1HZ LYS 18 6.277 12.113 1.348 1073 HZ2 LYS1018 2HZ LYS 18 7.916 12.403 1.073 1074 HZ3 LYS1018 3HZ LYS 18 6.977 13.569 1.850 1075 H MET1019 H MET 19 8.603 5.356 2.676 1076 HA MET1019 HA MET 19 9.441 4.011 5.084 1077 HB2 MET1019 2HB MET 19 8.113 2.219 4.478 1078 HB3 MET1019 1HB MET 19 7.264 3.545 3.719 1079 HG2 MET1019 2HG MET 19 7.533 2.670 1.642 1080 HG3 MET1019 1HG MET 19 9.220 2.253 1.919 1081 HE1 MET1019 1HE MET 19 9.926 0.105 3.435 1082 HE2 MET1019 2HE MET 19 8.748 -1.073 4.014 1083 HE3 MET1019 3HE MET 19 8.748 0.562 4.669 1084 H ALA1020 H ALA 20 10.529 4.167 1.703 1085 HA ALA1020 HA ALA 20 12.697 2.319 1.999 1086 HB1 ALA1020 1HB ALA 20 11.865 2.990 -0.210 1087 HB2 ALA1020 2HB ALA 20 13.586 3.349 -0.061 1088 HB3 ALA1020 3HB ALA 20 12.395 4.649 0.070 1089 H LEU1021 H LEU 21 12.228 5.710 2.751 1090 HA LEU1021 HA LEU 21 15.015 6.284 3.298 1091 HB2 LEU1021 2HB LEU 21 12.491 7.926 3.738 1092 HB3 LEU1021 1HB LEU 21 14.114 8.520 4.054 1093 HG LEU1021 HG LEU 21 13.079 7.679 1.312 1094 HD11 LEU1021 1HD1 LEU 21 13.503 10.488 2.381 1095 HD12 LEU1021 2HD1 LEU 21 11.947 9.716 2.065 1096 HD13 LEU1021 3HD1 LEU 21 13.044 10.059 0.730 1097 HD21 LEU1021 1HD2 LEU 21 15.147 8.686 0.433 1098 HD22 LEU1021 2HD2 LEU 21 15.483 7.330 1.504 1099 HD23 LEU1021 3HD2 LEU 21 15.707 8.983 2.081 1100 H LEU1022 H LEU 22 12.391 4.915 5.130 1101 HA LEU1022 HA LEU 22 12.728 5.621 7.741 1102 HB2 LEU1022 2HB LEU 22 12.309 2.854 6.587 1103 HB3 LEU1022 1HB LEU 22 12.392 3.085 8.324 1104 HG LEU1022 HG LEU 22 10.303 4.333 6.492 1105 HD11 LEU1022 1HD1 LEU 22 8.726 2.765 7.544 1106 HD12 LEU1022 2HD1 LEU 22 10.046 2.019 8.448 1107 HD13 LEU1022 3HD1 LEU 22 10.004 1.906 6.685 1108 HD21 LEU1022 1HD2 LEU 22 10.739 5.766 8.426 1109 HD22 LEU1022 2HD2 LEU 22 10.521 4.396 9.519 1110 HD23 LEU1022 3HD2 LEU 22 9.156 4.996 8.570 1111 HA PRO1023 HA PRO 23 17.172 4.650 8.284 1112 HB2 PRO1023 2HB PRO 23 17.599 6.101 10.559 1113 HB3 PRO1023 1HB PRO 23 17.444 6.865 8.963 1114 HG2 PRO1023 2HG PRO 23 15.398 6.631 11.138 1115 HG3 PRO1023 1HG PRO 23 15.773 8.016 10.089 1116 HD2 PRO1023 2HD PRO 23 13.657 6.305 9.646 1117 HD3 PRO1023 1HD PRO 23 14.457 7.229 8.357 1118 H ALA1024 H ALA 24 14.496 3.976 10.361 1119 HA ALA1024 HA ALA 24 15.797 2.333 12.307 1120 HB1 ALA1024 1HB ALA 24 13.514 1.587 12.892 1121 HB2 ALA1024 2HB ALA 24 12.870 2.381 11.451 1122 HB3 ALA1024 3HB ALA 24 13.588 3.343 12.744 1123 H VAL1025 H VAL 25 13.344 1.216 9.979 1124 HA VAL1025 HA VAL 25 14.821 -1.301 9.586 1125 HB VAL1025 HB VAL 25 11.907 -0.642 8.898 1126 HG11 VAL1025 1HG1 VAL 25 13.334 -3.332 8.937 1127 HG12 VAL1025 2HG1 VAL 25 12.800 -2.454 7.501 1128 HG13 VAL1025 3HG1 VAL 25 11.610 -3.085 8.638 1129 HG21 VAL1025 1HG2 VAL 25 12.980 -2.162 11.308 1130 HG22 VAL1025 2HG2 VAL 25 11.275 -1.963 10.892 1131 HG23 VAL1025 3HG2 VAL 25 12.245 -0.556 11.332 Start of MODEL 14 1 H1 MET 1 1H MET 1 4.950 -5.199 25.384 2 H2 MET 1 2H MET 1 6.058 -4.199 24.594 3 H3 MET 1 3H MET 1 6.593 -5.593 25.377 4 HA MET 1 HA MET 1 6.547 -5.859 22.997 5 HB2 MET 1 2HB MET 1 5.248 -8.006 22.964 6 HB3 MET 1 1HB MET 1 6.308 -7.855 24.355 7 HG2 MET 1 2HG MET 1 4.275 -8.830 25.117 8 HG3 MET 1 1HG MET 1 4.300 -7.174 25.718 9 HE1 MET 1 1HE MET 1 2.734 -9.689 23.137 10 HE2 MET 1 2HE MET 1 3.361 -8.463 22.032 11 HE3 MET 1 3HE MET 1 1.621 -8.657 22.243 12 H THR 2 H THR 2 4.102 -3.898 24.028 13 HA THR 2 HA THR 2 1.969 -4.486 22.277 14 HB THR 2 HB THR 2 1.553 -3.051 24.198 15 HG1 THR 2 HG1 THR 2 1.168 -1.457 21.868 16 HG21 THR 2 1HG2 THR 2 3.265 -0.916 22.878 17 HG22 THR 2 2HG2 THR 2 3.701 -1.828 24.325 18 HG23 THR 2 3HG2 THR 2 2.322 -0.726 24.360 19 H SER 3 H SER 3 4.693 -2.162 21.931 20 HA SER 3 HA SER 3 3.963 -1.128 19.425 21 HB2 SER 3 2HB SER 3 6.744 -1.363 20.655 22 HB3 SER 3 1HB SER 3 6.296 -0.291 19.324 23 HG SER 3 HG SER 3 6.317 0.603 21.548 24 H THR 4 H THR 4 5.852 -3.947 20.357 25 HA THR 4 HA THR 4 6.890 -4.764 17.887 26 HB THR 4 HB THR 4 6.124 -6.358 20.372 27 HG1 THR 4 HG1 THR 4 8.640 -6.287 20.318 28 HG21 THR 4 1HG2 THR 4 7.845 -7.288 18.046 29 HG22 THR 4 2HG2 THR 4 6.263 -7.941 18.477 30 HG23 THR 4 3HG2 THR 4 7.637 -8.144 19.568 31 H VAL 5 H VAL 5 3.918 -5.956 19.575 32 HA VAL 5 HA VAL 5 3.164 -7.716 17.491 33 HB VAL 5 HB VAL 5 2.413 -8.009 19.860 34 HG11 VAL 5 1HG1 VAL 5 0.475 -5.738 19.326 35 HG12 VAL 5 2HG1 VAL 5 1.848 -5.686 20.433 36 HG13 VAL 5 3HG1 VAL 5 0.495 -6.769 20.765 37 HG21 VAL 5 1HG2 VAL 5 0.138 -8.829 19.358 38 HG22 VAL 5 2HG2 VAL 5 1.269 -9.234 18.066 39 HG23 VAL 5 3HG2 VAL 5 0.134 -7.900 17.853 40 H GLU 6 H GLU 6 2.240 -4.371 18.249 41 HA GLU 6 HA GLU 6 0.188 -4.039 16.339 42 HB2 GLU 6 2HB GLU 6 2.124 -2.000 17.518 43 HB3 GLU 6 1HB GLU 6 0.748 -1.569 16.506 44 HG2 GLU 6 2HG GLU 6 -0.812 -2.437 18.166 45 HG3 GLU 6 1HG GLU 6 0.522 -3.024 19.161 46 H PHE 7 H PHE 7 3.644 -3.101 16.189 47 HA PHE 7 HA PHE 7 3.841 -2.057 13.655 48 HB2 PHE 7 2HB PHE 7 5.575 -2.167 15.520 49 HB3 PHE 7 1HB PHE 7 5.958 -3.795 14.992 50 HD1 PHE 7 HD1 PHE 7 7.827 -4.020 13.575 51 HD2 PHE 7 HD2 PHE 7 5.691 -0.305 13.593 52 HE1 PHE 7 HE1 PHE 7 9.548 -3.016 12.140 53 HE2 PHE 7 HE2 PHE 7 7.415 0.686 12.148 54 HZ PHE 7 HZ PHE 7 9.351 -0.666 11.430 55 H ILE 8 H ILE 8 4.289 -5.461 14.606 56 HA ILE 8 HA ILE 8 4.918 -6.453 12.005 57 HB ILE 8 HB ILE 8 4.025 -7.925 14.522 58 HG12 ILE 8 2HG1 ILE 8 6.857 -7.570 13.428 59 HG13 ILE 8 1HG1 ILE 8 6.163 -6.533 14.668 60 HG21 ILE 8 1HG2 ILE 8 5.011 -9.959 13.504 61 HG22 ILE 8 2HG2 ILE 8 5.320 -9.064 12.017 62 HG23 ILE 8 3HG2 ILE 8 3.660 -9.347 12.544 63 HD11 ILE 8 1HD1 ILE 8 6.627 -9.494 14.920 64 HD12 ILE 8 2HD1 ILE 8 5.955 -8.437 16.159 65 HD13 ILE 8 3HD1 ILE 8 7.613 -8.213 15.614 66 H ASN 9 H ASN 9 1.883 -6.384 13.932 67 HA ASN 9 HA ASN 9 0.338 -7.908 12.038 68 HB2 ASN 9 2HB ASN 9 -0.487 -6.218 14.427 69 HB3 ASN 9 1HB ASN 9 -1.668 -7.001 13.385 70 HD21 ASN 9 1HD2 ASN 9 1.459 -8.360 14.473 71 HD22 ASN 9 2HD2 ASN 9 0.743 -9.658 15.350 72 H ARG 10 H ARG 10 1.158 -4.563 12.348 73 HA ARG 10 HA ARG 10 -0.951 -3.522 10.672 74 HB2 ARG 10 2HB ARG 10 1.629 -2.268 11.726 75 HB3 ARG 10 1HB ARG 10 0.473 -1.398 10.717 76 HG2 ARG 10 2HG ARG 10 -1.224 -1.501 12.408 77 HG3 ARG 10 1HG ARG 10 -0.294 -2.648 13.371 78 HD2 ARG 10 2HD ARG 10 1.417 -0.886 13.779 79 HD3 ARG 10 1HD ARG 10 0.437 0.260 12.856 80 HE ARG 10 HE ARG 10 -0.909 -1.021 15.096 81 HH11 ARG 10 1HH1 ARG 10 0.912 1.824 14.086 82 HH12 ARG 10 2HH1 ARG 10 0.343 2.800 15.399 83 HH21 ARG 10 1HH2 ARG 10 -1.649 0.281 16.802 84 HH22 ARG 10 2HH2 ARG 10 -1.106 1.924 16.936 85 H TRP 11 H TRP 11 2.598 -4.073 10.309 86 HA TRP 11 HA TRP 11 2.794 -3.615 7.553 87 HB2 TRP 11 2HB TRP 11 4.430 -5.356 9.430 88 HB3 TRP 11 1HB TRP 11 4.784 -5.330 7.705 89 HD1 TRP 11 HD1 TRP 11 5.928 -3.726 10.739 90 HE1 TRP 11 HE1 TRP 11 7.127 -1.522 10.243 91 HE3 TRP 11 HE3 TRP 11 4.416 -3.009 5.908 92 HZ2 TRP 11 HZ2 TRP 11 7.417 0.302 8.134 93 HZ3 TRP 11 HZ3 TRP 11 5.197 -0.999 4.722 94 HH2 TRP 11 HH2 TRP 11 6.665 0.621 5.818 95 H GLN 12 H GLN 12 1.888 -6.527 9.336 96 HA GLN 12 HA GLN 12 1.680 -8.374 7.232 97 HB2 GLN 12 2HB GLN 12 1.603 -9.004 9.628 98 HB3 GLN 12 1HB GLN 12 0.053 -8.190 9.809 99 HG2 GLN 12 2HG GLN 12 -0.958 -9.817 8.222 100 HG3 GLN 12 1HG GLN 12 0.599 -10.639 8.098 101 HE21 GLN 12 1HE2 GLN 12 -0.221 -12.582 8.907 102 HE22 GLN 12 2HE2 GLN 12 -0.678 -12.787 10.559 103 H ARG 13 H ARG 13 -0.746 -6.241 8.729 104 HA ARG 13 HA ARG 13 -2.986 -6.879 7.205 105 HB2 ARG 13 2HB ARG 13 -3.065 -5.569 9.305 106 HB3 ARG 13 1HB ARG 13 -2.232 -4.234 8.523 107 HG2 ARG 13 2HG ARG 13 -4.585 -3.713 8.711 108 HG3 ARG 13 1HG ARG 13 -4.187 -3.931 7.005 109 HD2 ARG 13 2HD ARG 13 -6.330 -4.982 7.568 110 HD3 ARG 13 1HD ARG 13 -5.152 -6.202 7.073 111 HE ARG 13 HE ARG 13 -4.919 -6.122 9.794 112 HH11 ARG 13 1HH1 ARG 13 -7.650 -6.681 7.636 113 HH12 ARG 13 2HH1 ARG 13 -8.491 -7.693 8.767 114 HH21 ARG 13 1HH2 ARG 13 -6.016 -7.456 11.260 115 HH22 ARG 13 2HH2 ARG 13 -7.559 -8.135 10.834 116 H ILE 14 H ILE 14 -0.483 -4.436 6.659 117 HA ILE 14 HA ILE 14 -1.619 -3.204 4.352 118 HB ILE 14 HB ILE 14 1.254 -3.214 5.406 119 HG12 ILE 14 2HG1 ILE 14 -0.884 -1.061 5.722 120 HG13 ILE 14 1HG1 ILE 14 -0.530 -2.274 6.945 121 HG21 ILE 14 1HG2 ILE 14 0.025 -1.311 3.383 122 HG22 ILE 14 2HG2 ILE 14 1.220 -2.557 3.024 123 HG23 ILE 14 3HG2 ILE 14 1.652 -1.194 4.059 124 HD11 ILE 14 1HD1 ILE 14 1.784 -1.420 7.063 125 HD12 ILE 14 2HD1 ILE 14 0.552 -0.245 7.528 126 HD13 ILE 14 3HD1 ILE 14 1.326 -0.133 5.941 127 H ALA 15 H ALA 15 0.709 -5.844 4.853 128 HA ALA 15 HA ALA 15 1.503 -6.220 2.157 129 HB1 ALA 15 1HB ALA 15 1.404 -8.219 4.446 130 HB2 ALA 15 2HB ALA 15 2.762 -7.170 4.037 131 HB3 ALA 15 3HB ALA 15 2.273 -8.444 2.920 132 H LEU 16 H LEU 16 -1.056 -7.642 4.146 133 HA LEU 16 HA LEU 16 -2.158 -9.454 2.287 134 HB2 LEU 16 2HB LEU 16 -3.396 -8.060 4.700 135 HB3 LEU 16 1HB LEU 16 -4.171 -9.377 3.832 136 HG LEU 16 HG LEU 16 -1.524 -9.601 5.328 137 HD11 LEU 16 1HD1 LEU 16 -4.261 -10.607 6.164 138 HD12 LEU 16 2HD1 LEU 16 -3.373 -9.265 6.892 139 HD13 LEU 16 3HD1 LEU 16 -2.738 -10.904 7.011 140 HD21 LEU 16 1HD2 LEU 16 -1.738 -12.020 4.982 141 HD22 LEU 16 2HD2 LEU 16 -1.630 -11.157 3.451 142 HD23 LEU 16 3HD2 LEU 16 -3.191 -11.765 4.012 143 H LEU 17 H LEU 17 -3.051 -6.118 3.177 144 HA LEU 17 HA LEU 17 -5.228 -5.788 1.415 145 HB2 LEU 17 2HB LEU 17 -3.380 -3.795 2.782 146 HB3 LEU 17 1HB LEU 17 -4.685 -3.263 1.734 147 HG LEU 17 HG LEU 17 -5.126 -4.946 4.236 148 HD11 LEU 17 1HD1 LEU 17 -5.459 -1.945 3.922 149 HD12 LEU 17 2HD1 LEU 17 -4.189 -2.754 4.846 150 HD13 LEU 17 3HD1 LEU 17 -5.871 -2.903 5.349 151 HD21 LEU 17 1HD2 LEU 17 -7.092 -3.410 2.496 152 HD22 LEU 17 2HD2 LEU 17 -7.482 -4.306 3.968 153 HD23 LEU 17 3HD2 LEU 17 -6.902 -5.166 2.546 154 H SER 18 H SER 18 -1.748 -5.170 1.041 155 HA SER 18 HA SER 18 -1.912 -3.684 -1.372 156 HB2 SER 18 2HB SER 18 0.048 -3.706 0.260 157 HB3 SER 18 1HB SER 18 0.509 -5.267 -0.412 158 HG SER 18 HG SER 18 0.760 -2.727 -1.462 159 H GLN 19 H GLN 19 -1.217 -7.128 -0.705 160 HA GLN 19 HA GLN 19 -0.881 -7.831 -3.452 161 HB2 GLN 19 2HB GLN 19 -0.790 -10.147 -2.739 162 HB3 GLN 19 1HB GLN 19 0.154 -9.155 -1.634 163 HG2 GLN 19 2HG GLN 19 -1.702 -9.231 0.006 164 HG3 GLN 19 1HG GLN 19 -2.621 -10.254 -1.093 165 HE21 GLN 19 1HE2 GLN 19 -1.772 -10.832 1.601 166 HE22 GLN 19 2HE2 GLN 19 -0.791 -12.246 1.523 167 H SER 20 H SER 20 -3.660 -7.844 -1.224 168 HA SER 20 HA SER 20 -5.493 -9.228 -2.866 169 HB2 SER 20 2HB SER 20 -6.004 -7.072 -0.770 170 HB3 SER 20 1HB SER 20 -7.277 -8.017 -1.544 171 HG SER 20 HG SER 20 -5.110 -9.214 -0.187 172 H LEU 21 H LEU 21 -4.983 -5.736 -2.432 173 HA LEU 21 HA LEU 21 -6.718 -4.758 -4.381 174 HB2 LEU 21 2HB LEU 21 -4.179 -3.547 -3.201 175 HB3 LEU 21 1HB LEU 21 -5.291 -2.649 -4.228 176 HG LEU 21 HG LEU 21 -6.065 -3.884 -1.550 177 HD11 LEU 21 1HD1 LEU 21 -4.435 -2.085 -1.199 178 HD12 LEU 21 2HD1 LEU 21 -6.034 -1.615 -0.625 179 HD13 LEU 21 3HD1 LEU 21 -5.427 -0.983 -2.158 180 HD21 LEU 21 1HD2 LEU 21 -7.561 -1.994 -3.384 181 HD22 LEU 21 2HD2 LEU 21 -8.084 -2.495 -1.778 182 HD23 LEU 21 3HD2 LEU 21 -7.953 -3.686 -3.064 183 H LEU 22 H LEU 22 -3.384 -5.902 -4.607 184 HA LEU 22 HA LEU 22 -2.805 -4.999 -7.224 185 HB2 LEU 22 2HB LEU 22 -1.027 -5.750 -5.717 186 HB3 LEU 22 1HB LEU 22 -1.706 -7.372 -5.670 187 HG LEU 22 HG LEU 22 -1.201 -7.666 -8.090 188 HD11 LEU 22 1HD1 LEU 22 0.173 -6.022 -9.289 189 HD12 LEU 22 2HD1 LEU 22 0.048 -4.909 -7.924 190 HD13 LEU 22 3HD1 LEU 22 -1.399 -5.365 -8.836 191 HD21 LEU 22 1HD2 LEU 22 1.224 -6.834 -6.477 192 HD22 LEU 22 2HD2 LEU 22 1.224 -7.862 -7.912 193 HD23 LEU 22 3HD2 LEU 22 0.439 -8.414 -6.433 194 H GLU 23 H GLU 23 -3.908 -8.173 -6.024 195 HA GLU 23 HA GLU 23 -4.219 -9.552 -8.440 196 HB2 GLU 23 2HB GLU 23 -5.799 -9.788 -5.841 197 HB3 GLU 23 1HB GLU 23 -5.888 -10.964 -7.150 198 HG2 GLU 23 2HG GLU 23 -3.600 -11.639 -6.820 199 HG3 GLU 23 1HG GLU 23 -3.295 -10.284 -5.735 200 H LEU 24 H LEU 24 -6.499 -7.604 -6.597 201 HA LEU 24 HA LEU 24 -8.767 -7.871 -8.241 202 HB2 LEU 24 2HB LEU 24 -8.013 -5.709 -6.232 203 HB3 LEU 24 1HB LEU 24 -9.612 -5.892 -6.937 204 HG LEU 24 HG LEU 24 -8.258 -7.973 -5.174 205 HD11 LEU 24 1HD1 LEU 24 -8.762 -5.991 -3.872 206 HD12 LEU 24 2HD1 LEU 24 -9.867 -7.289 -3.433 207 HD13 LEU 24 3HD1 LEU 24 -10.420 -5.970 -4.471 208 HD21 LEU 24 1HD2 LEU 24 -9.846 -8.976 -6.759 209 HD22 LEU 24 2HD2 LEU 24 -11.110 -7.876 -6.201 210 HD23 LEU 24 3HD2 LEU 24 -10.434 -9.080 -5.099 211 H ALA 25 H ALA 25 -6.102 -5.500 -8.229 212 HA ALA 25 HA ALA 25 -7.134 -3.686 -10.143 213 HB1 ALA 25 1HB ALA 25 -4.222 -4.353 -9.574 214 HB2 ALA 25 2HB ALA 25 -5.194 -3.176 -8.695 215 HB3 ALA 25 3HB ALA 25 -4.822 -2.905 -10.396 216 H GLN 26 H GLN 26 -5.115 -6.570 -10.437 217 HA GLN 26 HA GLN 26 -4.884 -6.569 -13.285 218 HB2 GLN 26 2HB GLN 26 -4.441 -8.749 -11.206 219 HB3 GLN 26 1HB GLN 26 -4.061 -8.949 -12.917 220 HG2 GLN 26 2HG GLN 26 -2.445 -7.085 -12.785 221 HG3 GLN 26 1HG GLN 26 -2.849 -6.851 -11.086 222 HE21 GLN 26 1HE2 GLN 26 -0.592 -7.121 -10.650 223 HE22 GLN 26 2HE2 GLN 26 0.119 -8.691 -10.603 224 H ARG 27 H ARG 27 -7.370 -7.714 -11.097 225 HA ARG 27 HA ARG 27 -8.758 -9.292 -13.116 226 HB2 ARG 27 2HB ARG 27 -9.737 -8.371 -10.374 227 HB3 ARG 27 1HB ARG 27 -10.571 -9.504 -11.426 228 HG2 ARG 27 2HG ARG 27 -7.936 -9.945 -10.007 229 HG3 ARG 27 1HG ARG 27 -9.478 -10.705 -9.639 230 HD2 ARG 27 2HD ARG 27 -9.403 -11.871 -11.832 231 HD3 ARG 27 1HD ARG 27 -7.841 -11.110 -12.168 232 HE ARG 27 HE ARG 27 -8.041 -12.685 -9.715 233 HH11 ARG 27 1HH1 ARG 27 -6.946 -12.655 -13.071 234 HH12 ARG 27 2HH1 ARG 27 -5.894 -14.013 -12.862 235 HH21 ARG 27 1HH2 ARG 27 -6.703 -14.498 -9.483 236 HH22 ARG 27 2HH2 ARG 27 -5.762 -15.052 -10.832 237 H GLY 28 H GLY 28 -8.709 -5.964 -12.048 238 HA2 GLY 28 2HA GLY 28 -9.694 -4.144 -13.149 239 HA3 GLY 28 1HA GLY 28 -10.830 -5.214 -13.949 240 H GLU 29 H GLU 29 -10.477 -5.632 -10.564 241 HA GLU 29 HA GLU 29 -13.143 -4.701 -9.950 242 HB2 GLU 29 2HB GLU 29 -11.000 -5.758 -8.060 243 HB3 GLU 29 1HB GLU 29 -12.719 -5.624 -7.724 244 HG2 GLU 29 2HG GLU 29 -11.486 -7.464 -9.788 245 HG3 GLU 29 1HG GLU 29 -11.969 -7.946 -8.164 246 H TRP 30 H TRP 30 -12.501 -2.412 -10.610 247 HA TRP 30 HA TRP 30 -10.534 -0.924 -9.196 248 HB2 TRP 30 2HB TRP 30 -12.884 0.238 -10.750 249 HB3 TRP 30 1HB TRP 30 -11.339 1.021 -10.411 250 HD1 TRP 30 HD1 TRP 30 -13.017 -0.559 -13.188 251 HE1 TRP 30 HE1 TRP 30 -11.376 -1.490 -14.924 252 HE3 TRP 30 HE3 TRP 30 -8.709 -0.439 -10.413 253 HZ2 TRP 30 HZ2 TRP 30 -8.639 -2.103 -15.116 254 HZ3 TRP 30 HZ3 TRP 30 -6.617 -1.214 -11.450 255 HH2 TRP 30 HH2 TRP 30 -6.594 -2.034 -13.757 256 H ASP 31 H ASP 31 -13.968 -1.398 -8.713 257 HA ASP 31 HA ASP 31 -14.468 0.653 -6.835 258 HB2 ASP 31 2HB ASP 31 -16.311 -0.473 -8.004 259 HB3 ASP 31 1HB ASP 31 -15.884 -2.015 -7.274 260 H LEU 32 H LEU 32 -13.385 -2.727 -6.462 261 HA LEU 32 HA LEU 32 -13.483 -2.785 -3.612 262 HB2 LEU 32 2HB LEU 32 -11.850 -4.484 -5.536 263 HB3 LEU 32 1HB LEU 32 -12.039 -4.815 -3.821 264 HG LEU 32 HG LEU 32 -14.202 -4.960 -5.962 265 HD11 LEU 32 1HD1 LEU 32 -14.322 -7.344 -5.292 266 HD12 LEU 32 2HD1 LEU 32 -12.956 -7.090 -4.196 267 HD13 LEU 32 3HD1 LEU 32 -12.743 -6.895 -5.939 268 HD21 LEU 32 1HD2 LEU 32 -15.198 -4.006 -3.942 269 HD22 LEU 32 2HD2 LEU 32 -14.543 -5.324 -2.967 270 HD23 LEU 32 3HD2 LEU 32 -15.766 -5.656 -4.198 271 H LEU 33 H LEU 33 -10.970 -1.896 -5.960 272 HA LEU 33 HA LEU 33 -8.902 -1.294 -4.160 273 HB2 LEU 33 2HB LEU 33 -9.539 -0.363 -6.946 274 HB3 LEU 33 1HB LEU 33 -8.328 0.527 -6.038 275 HG LEU 33 HG LEU 33 -7.017 -1.586 -5.744 276 HD11 LEU 33 1HD1 LEU 33 -8.797 -3.233 -5.940 277 HD12 LEU 33 2HD1 LEU 33 -7.512 -3.557 -7.101 278 HD13 LEU 33 3HD1 LEU 33 -9.024 -2.818 -7.641 279 HD21 LEU 33 1HD2 LEU 33 -6.145 -1.682 -8.026 280 HD22 LEU 33 2HD2 LEU 33 -6.461 -0.021 -7.532 281 HD23 LEU 33 3HD2 LEU 33 -7.580 -0.840 -8.624 282 H LEU 34 H LEU 34 -11.538 0.797 -5.366 283 HA LEU 34 HA LEU 34 -10.741 3.154 -3.979 284 HB2 LEU 34 2HB LEU 34 -13.466 2.355 -5.085 285 HB3 LEU 34 1HB LEU 34 -13.043 3.976 -4.554 286 HG LEU 34 HG LEU 34 -11.790 2.506 -6.910 287 HD11 LEU 34 1HD1 LEU 34 -13.739 4.830 -6.911 288 HD12 LEU 34 2HD1 LEU 34 -14.083 3.166 -7.394 289 HD13 LEU 34 3HD1 LEU 34 -12.948 4.133 -8.331 290 HD21 LEU 34 1HD2 LEU 34 -11.292 5.342 -5.956 291 HD22 LEU 34 2HD2 LEU 34 -10.658 4.620 -7.436 292 HD23 LEU 34 3HD2 LEU 34 -10.156 3.992 -5.870 293 H GLN 35 H GLN 35 -12.612 0.372 -3.012 294 HA GLN 35 HA GLN 35 -13.913 1.525 -0.713 295 HB2 GLN 35 2HB GLN 35 -14.792 -0.472 -1.950 296 HB3 GLN 35 1HB GLN 35 -13.396 -1.398 -1.416 297 HG2 GLN 35 2HG GLN 35 -15.286 -1.998 -0.034 298 HG3 GLN 35 1HG GLN 35 -14.146 -1.090 0.957 299 HE21 GLN 35 1HE2 GLN 35 -17.233 -0.997 -0.675 300 HE22 GLN 35 2HE2 GLN 35 -17.869 0.377 0.159 301 H GLN 36 H GLN 36 -11.314 -0.877 -1.101 302 HA GLN 36 HA GLN 36 -10.494 -0.797 1.654 303 HB2 GLN 36 2HB GLN 36 -9.429 -2.221 -0.807 304 HB3 GLN 36 1HB GLN 36 -8.675 -2.388 0.776 305 HG2 GLN 36 2HG GLN 36 -10.537 -3.531 1.684 306 HG3 GLN 36 1HG GLN 36 -11.619 -2.981 0.410 307 HE21 GLN 36 1HE2 GLN 36 -10.012 -3.679 -1.842 308 HE22 GLN 36 2HE2 GLN 36 -9.983 -5.405 -1.929 309 H GLU 37 H GLU 37 -9.764 1.139 -1.036 310 HA GLU 37 HA GLU 37 -7.243 2.120 -0.805 311 HB2 GLU 37 2HB GLU 37 -8.881 2.983 -2.406 312 HB3 GLU 37 1HB GLU 37 -9.836 3.694 -1.109 313 HG2 GLU 37 2HG GLU 37 -8.025 5.292 -0.636 314 HG3 GLU 37 1HG GLU 37 -7.032 4.551 -1.886 315 H VAL 38 H VAL 38 -10.015 3.254 1.193 316 HA VAL 38 HA VAL 38 -8.594 5.023 2.813 317 HB VAL 38 HB VAL 38 -11.036 5.103 2.719 318 HG11 VAL 38 1HG1 VAL 38 -11.080 2.479 4.244 319 HG12 VAL 38 2HG1 VAL 38 -11.563 2.714 2.564 320 HG13 VAL 38 3HG1 VAL 38 -12.490 3.476 3.856 321 HG21 VAL 38 1HG2 VAL 38 -10.103 4.549 5.558 322 HG22 VAL 38 2HG2 VAL 38 -11.558 5.443 5.107 323 HG23 VAL 38 3HG2 VAL 38 -9.964 6.088 4.705 324 H SER 39 H SER 39 -9.346 1.569 3.328 325 HA SER 39 HA SER 39 -8.316 1.316 5.929 326 HB2 SER 39 2HB SER 39 -8.517 -0.820 3.758 327 HB3 SER 39 1HB SER 39 -8.429 -1.103 5.501 328 HG SER 39 HG SER 39 -10.427 0.287 5.538 329 H TYR 40 H TYR 40 -6.787 0.975 2.753 330 HA TYR 40 HA TYR 40 -4.341 -0.194 3.623 331 HB2 TYR 40 2HB TYR 40 -5.258 -0.465 1.320 332 HB3 TYR 40 1HB TYR 40 -4.985 1.245 1.010 333 HD1 TYR 40 HD1 TYR 40 -3.050 1.732 -0.258 334 HD2 TYR 40 HD2 TYR 40 -2.998 -1.730 2.232 335 HE1 TYR 40 HE1 TYR 40 -0.819 1.162 -1.093 336 HE2 TYR 40 HE2 TYR 40 -0.761 -2.289 1.397 337 HH TYR 40 HH TYR 40 1.160 -0.126 -0.380 338 H LEU 41 H LEU 41 -5.269 3.115 2.650 339 HA LEU 41 HA LEU 41 -2.660 4.232 2.967 340 HB2 LEU 41 2HB LEU 41 -5.364 5.622 2.813 341 HB3 LEU 41 1HB LEU 41 -3.808 6.427 2.673 342 HG LEU 41 HG LEU 41 -4.976 4.411 0.707 343 HD11 LEU 41 1HD1 LEU 41 -6.037 6.610 0.565 344 HD12 LEU 41 2HD1 LEU 41 -5.071 6.281 -0.870 345 HD13 LEU 41 3HD1 LEU 41 -4.460 7.383 0.369 346 HD21 LEU 41 1HD2 LEU 41 -3.003 4.848 -0.710 347 HD22 LEU 41 2HD2 LEU 41 -2.559 4.092 0.819 348 HD23 LEU 41 3HD2 LEU 41 -2.288 5.821 0.578 349 H GLN 42 H GLN 42 -5.469 3.927 5.101 350 HA GLN 42 HA GLN 42 -4.472 5.628 7.180 351 HB2 GLN 42 2HB GLN 42 -6.664 3.512 7.207 352 HB3 GLN 42 1HB GLN 42 -6.267 4.510 8.602 353 HG2 GLN 42 2HG GLN 42 -7.319 5.497 5.932 354 HG3 GLN 42 1HG GLN 42 -8.224 5.400 7.438 355 HE21 GLN 42 1HE2 GLN 42 -7.771 6.891 9.093 356 HE22 GLN 42 2HE2 GLN 42 -6.917 8.363 8.796 357 H SER 43 H SER 43 -4.382 2.074 6.622 358 HA SER 43 HA SER 43 -3.056 1.424 9.047 359 HB2 SER 43 2HB SER 43 -2.517 -0.752 7.956 360 HB3 SER 43 1HB SER 43 -4.216 -0.317 7.795 361 HG SER 43 HG SER 43 -3.830 0.271 5.676 362 H ILE 44 H ILE 44 -1.869 2.292 5.832 363 HA ILE 44 HA ILE 44 0.907 2.057 6.141 364 HB ILE 44 HB ILE 44 -0.935 3.766 4.450 365 HG12 ILE 44 2HG1 ILE 44 1.253 1.782 3.696 366 HG13 ILE 44 1HG1 ILE 44 -0.463 1.416 3.799 367 HG21 ILE 44 1HG2 ILE 44 2.053 4.235 4.460 368 HG22 ILE 44 2HG2 ILE 44 0.807 5.392 4.925 369 HG23 ILE 44 3HG2 ILE 44 0.931 4.854 3.249 370 HD11 ILE 44 1HD1 ILE 44 0.261 1.684 1.506 371 HD12 ILE 44 2HD1 ILE 44 0.817 3.323 1.839 372 HD13 ILE 44 3HD1 ILE 44 -0.905 2.935 1.938 373 H GLU 45 H GLU 45 -1.239 4.794 6.816 374 HA GLU 45 HA GLU 45 0.721 6.644 7.692 375 HB2 GLU 45 2HB GLU 45 -1.592 7.202 6.845 376 HB3 GLU 45 1HB GLU 45 -2.263 6.527 8.324 377 HG2 GLU 45 2HG GLU 45 -2.274 8.893 8.568 378 HG3 GLU 45 1HG GLU 45 -1.002 8.273 9.615 379 H THR 46 H THR 46 -1.228 4.241 9.231 380 HA THR 46 HA THR 46 -0.748 4.850 11.962 381 HB THR 46 HB THR 46 -2.233 2.847 10.336 382 HG1 THR 46 HG1 THR 46 -2.915 4.830 11.669 383 HG21 THR 46 1HG2 THR 46 -1.386 2.081 13.130 384 HG22 THR 46 2HG2 THR 46 -1.076 1.201 11.623 385 HG23 THR 46 3HG2 THR 46 -2.724 1.350 12.243 386 H VAL 47 H VAL 47 0.792 2.537 9.663 387 HA VAL 47 HA VAL 47 2.314 1.243 11.755 388 HB VAL 47 HB VAL 47 1.652 0.151 9.496 389 HG11 VAL 47 1HG1 VAL 47 2.513 1.887 7.970 390 HG12 VAL 47 2HG1 VAL 47 3.271 0.327 7.644 391 HG13 VAL 47 3HG1 VAL 47 4.159 1.572 8.525 392 HG21 VAL 47 1HG2 VAL 47 3.105 -0.940 11.165 393 HG22 VAL 47 2HG2 VAL 47 4.518 -0.147 10.461 394 HG23 VAL 47 3HG2 VAL 47 3.612 -1.332 9.518 395 H MET 48 H MET 48 2.818 3.850 9.445 396 HA MET 48 HA MET 48 5.629 4.148 9.939 397 HB2 MET 48 2HB MET 48 4.408 4.850 7.838 398 HB3 MET 48 1HB MET 48 3.700 6.181 8.740 399 HG2 MET 48 2HG MET 48 5.813 7.251 8.981 400 HG3 MET 48 1HG MET 48 6.687 5.802 8.485 401 HE1 MET 48 1HE MET 48 5.055 4.780 5.926 402 HE2 MET 48 2HE MET 48 6.818 4.911 5.970 403 HE3 MET 48 3HE MET 48 5.911 5.631 4.639 404 H GLU 49 H GLU 49 2.643 5.523 11.243 405 HA GLU 49 HA GLU 49 3.783 7.368 13.079 406 HB2 GLU 49 2HB GLU 49 1.404 7.419 12.400 407 HB3 GLU 49 1HB GLU 49 1.130 5.863 13.166 408 HG2 GLU 49 2HG GLU 49 0.216 7.529 14.613 409 HG3 GLU 49 1HG GLU 49 1.681 6.935 15.384 410 H LYS 50 H LYS 50 3.302 3.867 13.176 411 HA LYS 50 HA LYS 50 3.558 3.495 15.986 412 HB2 LYS 50 2HB LYS 50 2.579 1.762 14.518 413 HB3 LYS 50 1HB LYS 50 4.127 1.539 13.725 414 HG2 LYS 50 2HG LYS 50 3.857 -0.300 15.206 415 HG3 LYS 50 1HG LYS 50 5.061 0.745 15.952 416 HD2 LYS 50 2HD LYS 50 2.137 0.925 16.755 417 HD3 LYS 50 1HD LYS 50 3.172 -0.326 17.432 418 HE2 LYS 50 2HE LYS 50 4.624 1.354 18.433 419 HE3 LYS 50 1HE LYS 50 3.722 2.651 17.649 420 HZ1 LYS 50 1HZ LYS 50 1.764 2.004 18.938 421 HZ2 LYS 50 2HZ LYS 50 3.056 2.404 19.950 422 HZ3 LYS 50 3HZ LYS 50 2.648 0.784 19.704 423 H GLN 51 H GLN 51 5.285 4.210 17.033 424 HA GLN 51 HA GLN 51 7.989 4.062 15.896 425 HB2 GLN 51 2HB GLN 51 7.020 5.360 18.482 426 HB3 GLN 51 1HB GLN 51 8.623 5.531 17.776 427 HG2 GLN 51 2HG GLN 51 6.021 6.559 16.593 428 HG3 GLN 51 1HG GLN 51 7.270 7.528 17.369 429 HE21 GLN 51 1HE2 GLN 51 6.359 5.805 14.482 430 HE22 GLN 51 2HE2 GLN 51 7.635 6.395 13.481 431 H THR 52 H THR 52 8.743 2.012 16.125 432 HA THR 52 HA THR 52 8.712 0.643 18.724 433 HB THR 52 HB THR 52 9.934 -1.187 17.395 434 HG1 THR 52 HG1 THR 52 10.679 0.162 15.679 435 HG21 THR 52 1HG2 THR 52 7.192 -0.359 16.390 436 HG22 THR 52 2HG2 THR 52 7.521 -1.345 17.818 437 HG23 THR 52 3HG2 THR 52 7.918 -1.960 16.215 438 HA PRO 53 HA PRO 53 12.878 1.991 19.836 439 HB2 PRO 53 2HB PRO 53 13.426 -0.808 20.779 440 HB3 PRO 53 1HB PRO 53 13.468 0.716 21.690 441 HG2 PRO 53 2HG PRO 53 11.492 -1.044 22.059 442 HG3 PRO 53 1HG PRO 53 11.175 0.707 22.095 443 HD2 PRO 53 2HD PRO 53 10.647 -1.263 19.875 444 HD3 PRO 53 1HD PRO 53 9.632 0.077 20.459 445 HA PRO 54 HA PRO 54 15.722 1.006 16.496 446 HB2 PRO 54 2HB PRO 54 17.863 0.970 18.639 447 HB3 PRO 54 1HB PRO 54 17.821 1.866 17.102 448 HG2 PRO 54 2HG PRO 54 17.339 3.153 19.363 449 HG3 PRO 54 1HG PRO 54 16.341 3.489 17.928 450 HD2 PRO 54 2HD PRO 54 15.664 1.829 20.349 451 HD3 PRO 54 1HD PRO 54 14.643 2.964 19.434 452 H GLY 55 H GLY 55 16.357 -0.814 19.495 453 HA2 GLY 55 2HA GLY 55 17.747 -2.993 18.324 454 HA3 GLY 55 1HA GLY 55 17.047 -2.947 19.930 455 H ILE 56 H ILE 56 16.285 -3.528 16.535 456 HA ILE 56 HA ILE 56 13.872 -5.054 17.160 457 HB ILE 56 HB ILE 56 15.179 -4.118 14.577 458 HG12 ILE 56 2HG1 ILE 56 13.828 -2.445 15.809 459 HG13 ILE 56 1HG1 ILE 56 13.048 -2.867 14.287 460 HG21 ILE 56 1HG2 ILE 56 14.349 -6.366 14.083 461 HG22 ILE 56 2HG2 ILE 56 13.348 -5.154 13.284 462 HG23 ILE 56 3HG2 ILE 56 12.768 -5.952 14.747 463 HD11 ILE 56 1HD1 ILE 56 11.468 -4.303 15.467 464 HD12 ILE 56 2HD1 ILE 56 11.447 -2.665 16.122 465 HD13 ILE 56 3HD1 ILE 56 12.270 -3.956 17.003 466 H THR 57 H THR 57 13.709 -7.237 16.933 467 HA THR 57 HA THR 57 16.265 -8.737 17.090 468 HB THR 57 HB THR 57 15.052 -8.631 19.192 469 HG1 THR 57 HG1 THR 57 15.731 -10.595 19.426 470 HG21 THR 57 1HG2 THR 57 12.672 -9.866 17.766 471 HG22 THR 57 2HG2 THR 57 12.782 -8.189 18.321 472 HG23 THR 57 3HG2 THR 57 12.785 -9.518 19.493 473 H ARG 58 H ARG 58 15.636 -11.259 16.808 474 HA ARG 58 HA ARG 58 15.820 -11.849 14.185 475 HB2 ARG 58 2HB ARG 58 16.325 -13.457 15.968 476 HB3 ARG 58 1HB ARG 58 14.624 -13.586 16.385 477 HG2 ARG 58 2HG ARG 58 15.299 -15.575 15.176 478 HG3 ARG 58 1HG ARG 58 14.185 -14.649 14.166 479 HD2 ARG 58 2HD ARG 58 16.062 -15.538 12.853 480 HD3 ARG 58 1HD ARG 58 16.088 -13.771 12.868 481 HE ARG 58 HE ARG 58 17.703 -14.579 14.966 482 HH11 ARG 58 1HH1 ARG 58 17.775 -14.958 11.455 483 HH12 ARG 58 2HH1 ARG 58 19.507 -15.067 11.396 484 HH21 ARG 58 1HH2 ARG 58 19.955 -14.738 14.865 485 HH22 ARG 58 2HH2 ARG 58 20.740 -14.941 13.329 486 H SER 59 H SER 59 12.769 -12.395 15.999 487 HA SER 59 HA SER 59 11.323 -13.272 13.747 488 HB2 SER 59 2HB SER 59 10.267 -12.252 16.413 489 HB3 SER 59 1HB SER 59 9.365 -13.222 15.242 490 HG SER 59 HG SER 59 10.858 -14.890 15.558 491 H ILE 60 H ILE 60 11.391 -10.103 15.413 492 HA ILE 60 HA ILE 60 9.289 -8.880 13.993 493 HB ILE 60 HB ILE 60 11.708 -7.394 15.126 494 HG12 ILE 60 2HG1 ILE 60 9.125 -8.141 16.580 495 HG13 ILE 60 1HG1 ILE 60 10.713 -8.837 16.893 496 HG21 ILE 60 1HG2 ILE 60 10.147 -5.474 15.304 497 HG22 ILE 60 2HG2 ILE 60 8.857 -6.447 14.600 498 HG23 ILE 60 3HG2 ILE 60 10.272 -6.034 13.633 499 HD11 ILE 60 1HD1 ILE 60 9.915 -5.959 17.334 500 HD12 ILE 60 2HD1 ILE 60 11.524 -6.632 17.618 501 HD13 ILE 60 3HD1 ILE 60 10.151 -7.197 18.569 502 H GLN 61 H GLN 61 12.831 -8.755 13.486 503 HA GLN 61 HA GLN 61 12.907 -7.070 11.261 504 HB2 GLN 61 2HB GLN 61 14.927 -7.607 12.540 505 HB3 GLN 61 1HB GLN 61 14.835 -9.298 12.056 506 HG2 GLN 61 2HG GLN 61 15.206 -8.600 9.683 507 HG3 GLN 61 1HG GLN 61 15.377 -6.932 10.229 508 HE21 GLN 61 1HE2 GLN 61 17.272 -6.326 11.332 509 HE22 GLN 61 2HE2 GLN 61 18.680 -7.330 11.352 510 H ASP 62 H ASP 62 12.793 -10.636 11.411 511 HA ASP 62 HA ASP 62 13.061 -11.086 8.628 512 HB2 ASP 62 2HB ASP 62 13.605 -12.808 10.304 513 HB3 ASP 62 1HB ASP 62 11.920 -12.899 10.800 514 H MET 63 H MET 63 10.146 -11.237 10.717 515 HA MET 63 HA MET 63 8.297 -11.847 8.679 516 HB2 MET 63 2HB MET 63 7.835 -10.558 11.399 517 HB3 MET 63 1HB MET 63 6.537 -11.091 10.340 518 HG2 MET 63 2HG MET 63 7.393 -13.410 10.490 519 HG3 MET 63 1HG MET 63 8.650 -12.859 11.597 520 HE1 MET 63 1HE MET 63 7.105 -10.739 13.472 521 HE2 MET 63 2HE MET 63 8.148 -12.001 14.123 522 HE3 MET 63 3HE MET 63 6.517 -11.795 14.755 523 H VAL 64 H VAL 64 9.058 -8.695 10.230 524 HA VAL 64 HA VAL 64 7.269 -7.111 8.750 525 HB VAL 64 HB VAL 64 9.821 -6.428 10.257 526 HG11 VAL 64 1HG1 VAL 64 9.240 -4.015 10.058 527 HG12 VAL 64 2HG1 VAL 64 7.989 -4.436 8.887 528 HG13 VAL 64 3HG1 VAL 64 9.684 -4.735 8.507 529 HG21 VAL 64 1HG2 VAL 64 7.870 -7.100 11.612 530 HG22 VAL 64 2HG2 VAL 64 6.895 -5.841 10.849 531 HG23 VAL 64 3HG2 VAL 64 8.260 -5.397 11.880 532 H ALA 65 H ALA 65 10.721 -7.893 8.115 533 HA ALA 65 HA ALA 65 11.032 -6.300 5.809 534 HB1 ALA 65 1HB ALA 65 12.988 -7.679 5.287 535 HB2 ALA 65 2HB ALA 65 12.475 -8.888 6.472 536 HB3 ALA 65 3HB ALA 65 12.948 -7.271 7.002 537 H GLY 66 H GLY 66 9.810 -9.633 6.211 538 HA2 GLY 66 2HA GLY 66 9.443 -10.308 3.484 539 HA3 GLY 66 1HA GLY 66 8.522 -10.961 4.831 540 H TYR 67 H TYR 67 7.299 -8.679 5.795 541 HA TYR 67 HA TYR 67 5.078 -8.368 4.035 542 HB2 TYR 67 2HB TYR 67 5.755 -6.836 6.581 543 HB3 TYR 67 1HB TYR 67 4.187 -6.844 5.778 544 HD1 TYR 67 HD1 TYR 67 5.140 -7.748 8.722 545 HD2 TYR 67 HD2 TYR 67 4.018 -9.852 5.162 546 HE1 TYR 67 HE1 TYR 67 4.414 -9.672 10.080 547 HE2 TYR 67 HE2 TYR 67 3.301 -11.764 6.523 548 HH TYR 67 HH TYR 67 3.750 -12.723 8.729 549 H ILE 68 H ILE 68 7.961 -6.523 4.629 550 HA ILE 68 HA ILE 68 7.194 -4.057 3.396 551 HB ILE 68 HB ILE 68 9.850 -5.277 4.238 552 HG12 ILE 68 2HG1 ILE 68 8.325 -2.793 5.138 553 HG13 ILE 68 1HG1 ILE 68 8.419 -4.314 6.010 554 HG21 ILE 68 1HG2 ILE 68 11.034 -3.198 3.573 555 HG22 ILE 68 2HG2 ILE 68 9.579 -2.654 2.743 556 HG23 ILE 68 3HG2 ILE 68 10.421 -4.097 2.182 557 HD11 ILE 68 1HD1 ILE 68 9.830 -2.646 7.024 558 HD12 ILE 68 2HD1 ILE 68 10.701 -2.400 5.510 559 HD13 ILE 68 3HD1 ILE 68 10.822 -3.944 6.361 560 H LYS 69 H LYS 69 9.039 -6.935 2.324 561 HA LYS 69 HA LYS 69 9.517 -6.165 -0.331 562 HB2 LYS 69 2HB LYS 69 9.116 -8.944 0.857 563 HB3 LYS 69 1HB LYS 69 9.672 -8.668 -0.791 564 HG2 LYS 69 2HG LYS 69 11.113 -7.824 1.743 565 HG3 LYS 69 1HG LYS 69 11.540 -9.190 0.712 566 HD2 LYS 69 2HD LYS 69 12.092 -7.656 -1.139 567 HD3 LYS 69 1HD LYS 69 11.572 -6.272 -0.173 568 HE2 LYS 69 2HE LYS 69 13.392 -6.729 1.444 569 HE3 LYS 69 1HE LYS 69 13.913 -8.100 0.460 570 HZ1 LYS 69 1HZ LYS 69 15.233 -6.117 0.024 571 HZ2 LYS 69 2HZ LYS 69 13.849 -5.268 -0.443 572 HZ3 LYS 69 3HZ LYS 69 14.381 -6.589 -1.355 573 H GLN 70 H GLN 70 6.776 -7.838 1.158 574 HA GLN 70 HA GLN 70 5.189 -8.298 -1.111 575 HB2 GLN 70 2HB GLN 70 4.538 -7.939 1.826 576 HB3 GLN 70 1HB GLN 70 3.235 -8.104 0.661 577 HG2 GLN 70 2HG GLN 70 5.439 -10.154 1.027 578 HG3 GLN 70 1HG GLN 70 3.874 -10.222 1.836 579 HE21 GLN 70 1HE2 GLN 70 5.525 -10.572 -1.217 580 HE22 GLN 70 2HE2 GLN 70 4.211 -11.295 -2.072 581 H THR 71 H THR 71 4.950 -5.543 1.241 582 HA THR 71 HA THR 71 2.781 -4.405 -0.162 583 HB THR 71 HB THR 71 3.082 -3.960 2.230 584 HG1 THR 71 HG1 THR 71 2.486 -2.126 0.352 585 HG21 THR 71 1HG2 THR 71 5.536 -3.694 2.360 586 HG22 THR 71 2HG2 THR 71 4.700 -2.304 3.063 587 HG23 THR 71 3HG2 THR 71 5.423 -2.183 1.456 588 H LEU 72 H LEU 72 6.272 -3.757 -0.357 589 HA LEU 72 HA LEU 72 5.989 -1.416 -1.989 590 HB2 LEU 72 2HB LEU 72 8.394 -3.117 -1.265 591 HB3 LEU 72 1HB LEU 72 8.518 -1.719 -2.325 592 HG LEU 72 HG LEU 72 7.611 -1.665 0.584 593 HD11 LEU 72 1HD1 LEU 72 10.163 -0.638 -0.701 594 HD12 LEU 72 2HD1 LEU 72 10.012 -2.023 0.387 595 HD13 LEU 72 3HD1 LEU 72 9.686 -0.397 0.985 596 HD21 LEU 72 1HD2 LEU 72 7.866 0.605 -1.423 597 HD22 LEU 72 2HD2 LEU 72 7.601 0.805 0.309 598 HD23 LEU 72 3HD2 LEU 72 6.380 0.009 -0.674 599 H ASP 73 H ASP 73 6.739 -4.868 -2.764 600 HA ASP 73 HA ASP 73 7.100 -4.314 -5.580 601 HB2 ASP 73 2HB ASP 73 8.169 -6.292 -4.670 602 HB3 ASP 73 1HB ASP 73 6.630 -6.932 -4.108 603 H ASN 74 H ASN 74 4.385 -5.476 -3.612 604 HA ASN 74 HA ASN 74 2.525 -5.902 -5.695 605 HB2 ASN 74 2HB ASN 74 1.995 -5.182 -2.782 606 HB3 ASN 74 1HB ASN 74 0.761 -5.729 -3.911 607 HD21 ASN 74 1HD2 ASN 74 1.579 -6.873 -1.375 608 HD22 ASN 74 2HD2 ASN 74 2.065 -8.498 -1.699 609 H GLU 75 H GLU 75 3.346 -3.029 -3.742 610 HA GLU 75 HA GLU 75 1.377 -1.312 -4.898 611 HB2 GLU 75 2HB GLU 75 2.447 -0.817 -2.710 612 HB3 GLU 75 1HB GLU 75 3.990 -0.568 -3.524 613 HG2 GLU 75 2HG GLU 75 2.661 1.232 -4.924 614 HG3 GLU 75 1HG GLU 75 1.500 1.136 -3.605 615 H GLN 76 H GLN 76 4.743 -2.095 -5.697 616 HA GLN 76 HA GLN 76 5.293 -0.113 -7.608 617 HB2 GLN 76 2HB GLN 76 7.009 -1.660 -6.720 618 HB3 GLN 76 1HB GLN 76 6.221 -3.019 -7.510 619 HG2 GLN 76 2HG GLN 76 6.722 -1.926 -9.720 620 HG3 GLN 76 1HG GLN 76 7.644 -0.704 -8.849 621 HE21 GLN 76 1HE2 GLN 76 7.577 -4.171 -8.056 622 HE22 GLN 76 2HE2 GLN 76 9.225 -4.456 -8.478 623 H LEU 77 H LEU 77 3.894 -3.332 -7.940 624 HA LEU 77 HA LEU 77 3.303 -3.208 -10.728 625 HB2 LEU 77 2HB LEU 77 2.399 -5.020 -8.470 626 HB3 LEU 77 1HB LEU 77 1.893 -5.268 -10.132 627 HG LEU 77 HG LEU 77 4.819 -5.271 -9.278 628 HD11 LEU 77 1HD1 LEU 77 4.733 -7.730 -9.373 629 HD12 LEU 77 2HD1 LEU 77 2.988 -7.668 -9.640 630 HD13 LEU 77 3HD1 LEU 77 3.670 -7.097 -8.116 631 HD21 LEU 77 1HD2 LEU 77 5.164 -6.380 -11.453 632 HD22 LEU 77 2HD2 LEU 77 4.448 -4.782 -11.646 633 HD23 LEU 77 3HD2 LEU 77 3.438 -6.227 -11.810 634 H LEU 78 H LEU 78 1.383 -2.587 -7.767 635 HA LEU 78 HA LEU 78 -1.174 -2.178 -8.845 636 HB2 LEU 78 2HB LEU 78 0.235 -1.429 -6.327 637 HB3 LEU 78 1HB LEU 78 -1.052 -0.319 -6.731 638 HG LEU 78 HG LEU 78 -1.463 -3.318 -6.413 639 HD11 LEU 78 1HD1 LEU 78 -2.443 -2.815 -4.221 640 HD12 LEU 78 2HD1 LEU 78 -2.013 -1.109 -4.401 641 HD13 LEU 78 3HD1 LEU 78 -0.746 -2.333 -4.277 642 HD21 LEU 78 1HD2 LEU 78 -3.435 -1.015 -6.614 643 HD22 LEU 78 2HD2 LEU 78 -3.847 -2.707 -6.323 644 HD23 LEU 78 3HD2 LEU 78 -3.122 -2.234 -7.855 645 H LYS 79 H LYS 79 1.231 0.248 -8.002 646 HA LYS 79 HA LYS 79 -0.087 2.514 -8.968 647 HB2 LYS 79 2HB LYS 79 1.552 2.554 -7.154 648 HB3 LYS 79 1HB LYS 79 2.827 2.021 -8.237 649 HG2 LYS 79 2HG LYS 79 2.923 4.146 -9.330 650 HG3 LYS 79 1HG LYS 79 1.388 4.662 -8.619 651 HD2 LYS 79 2HD LYS 79 3.378 5.734 -7.532 652 HD3 LYS 79 1HD LYS 79 2.392 4.808 -6.399 653 HE2 LYS 79 2HE LYS 79 4.041 2.897 -6.665 654 HE3 LYS 79 1HE LYS 79 5.048 3.979 -7.629 655 HZ1 LYS 79 1HZ LYS 79 4.289 4.325 -4.771 656 HZ2 LYS 79 2HZ LYS 79 5.149 5.473 -5.683 657 HZ3 LYS 79 3HZ LYS 79 5.824 3.949 -5.378 658 H GLY 80 H GLY 80 2.387 0.402 -10.437 659 HA2 GLY 80 2HA GLY 80 2.852 1.865 -12.816 660 HA3 GLY 80 1HA GLY 80 3.048 0.131 -12.625 661 H LEU 81 H LEU 81 0.609 -0.814 -12.168 662 HA LEU 81 HA LEU 81 -0.629 -0.948 -14.693 663 HB2 LEU 81 2HB LEU 81 -0.598 -2.773 -13.070 664 HB3 LEU 81 1HB LEU 81 -1.551 -1.847 -11.937 665 HG LEU 81 HG LEU 81 -2.763 -2.555 -14.630 666 HD11 LEU 81 1HD1 LEU 81 -2.639 -4.461 -12.272 667 HD12 LEU 81 2HD1 LEU 81 -1.878 -4.689 -13.849 668 HD13 LEU 81 3HD1 LEU 81 -3.635 -4.670 -13.717 669 HD21 LEU 81 1HD2 LEU 81 -4.044 -1.050 -13.172 670 HD22 LEU 81 2HD2 LEU 81 -3.981 -2.230 -11.865 671 HD23 LEU 81 3HD2 LEU 81 -4.874 -2.597 -13.344 672 H LEU 82 H LEU 82 -1.454 0.857 -11.765 673 HA LEU 82 HA LEU 82 -4.063 1.667 -12.626 674 HB2 LEU 82 2HB LEU 82 -2.311 2.287 -10.245 675 HB3 LEU 82 1HB LEU 82 -3.749 3.257 -10.525 676 HG LEU 82 HG LEU 82 -3.897 0.219 -10.312 677 HD11 LEU 82 1HD1 LEU 82 -4.573 0.496 -7.967 678 HD12 LEU 82 2HD1 LEU 82 -4.216 2.223 -8.058 679 HD13 LEU 82 3HD1 LEU 82 -2.916 1.041 -8.225 680 HD21 LEU 82 1HD2 LEU 82 -5.975 2.413 -9.990 681 HD22 LEU 82 2HD2 LEU 82 -6.261 0.677 -9.818 682 HD23 LEU 82 3HD2 LEU 82 -5.804 1.339 -11.384 683 H GLN 83 H GLN 83 -0.862 3.207 -12.506 684 HA GLN 83 HA GLN 83 -1.570 5.757 -13.477 685 HB2 GLN 83 2HB GLN 83 0.608 5.409 -12.507 686 HB3 GLN 83 1HB GLN 83 0.992 4.116 -13.625 687 HG2 GLN 83 2HG GLN 83 0.596 6.926 -14.654 688 HG3 GLN 83 1HG GLN 83 2.115 6.475 -13.897 689 HE21 GLN 83 1HE2 GLN 83 2.010 3.701 -15.018 690 HE22 GLN 83 2HE2 GLN 83 2.407 3.878 -16.690 691 H GLN 84 H GLN 84 -0.633 2.750 -15.129 692 HA GLN 84 HA GLN 84 -0.809 3.601 -17.805 693 HB2 GLN 84 2HB GLN 84 0.275 1.478 -17.114 694 HB3 GLN 84 1HB GLN 84 -1.282 0.835 -16.609 695 HG2 GLN 84 2HG GLN 84 -0.639 -0.132 -18.753 696 HG3 GLN 84 1HG GLN 84 -2.064 0.884 -18.968 697 HE21 GLN 84 1HE2 GLN 84 -1.841 2.857 -20.091 698 HE22 GLN 84 2HE2 GLN 84 -0.480 3.178 -21.100 699 H ARG 85 H ARG 85 -3.249 2.360 -15.568 700 HA ARG 85 HA ARG 85 -5.345 2.091 -17.494 701 HB2 ARG 85 2HB ARG 85 -5.244 1.954 -14.466 702 HB3 ARG 85 1HB ARG 85 -6.790 1.922 -15.310 703 HG2 ARG 85 2HG ARG 85 -4.539 -0.060 -15.760 704 HG3 ARG 85 1HG ARG 85 -5.954 -0.339 -14.745 705 HD2 ARG 85 2HD ARG 85 -7.397 0.046 -16.773 706 HD3 ARG 85 1HD ARG 85 -5.926 0.116 -17.749 707 HE ARG 85 HE ARG 85 -5.655 -2.258 -16.542 708 HH11 ARG 85 1HH1 ARG 85 -8.402 -0.870 -18.283 709 HH12 ARG 85 2HH1 ARG 85 -9.003 -2.417 -18.800 710 HH21 ARG 85 1HH2 ARG 85 -6.468 -4.258 -17.222 711 HH22 ARG 85 2HH2 ARG 85 -7.900 -4.331 -18.197 712 H LEU 86 H LEU 86 -4.392 4.673 -15.248 713 HA LEU 86 HA LEU 86 -6.792 6.218 -15.612 714 HB2 LEU 86 2HB LEU 86 -4.065 6.919 -14.454 715 HB3 LEU 86 1HB LEU 86 -5.396 8.066 -14.512 716 HG LEU 86 HG LEU 86 -5.480 5.413 -13.005 717 HD11 LEU 86 1HD1 LEU 86 -3.869 6.958 -11.978 718 HD12 LEU 86 2HD1 LEU 86 -5.272 6.699 -10.949 719 HD13 LEU 86 3HD1 LEU 86 -5.118 8.203 -11.866 720 HD21 LEU 86 1HD2 LEU 86 -7.541 6.299 -11.984 721 HD22 LEU 86 2HD2 LEU 86 -7.702 6.126 -13.729 722 HD23 LEU 86 3HD2 LEU 86 -7.452 7.725 -13.023 723 H ASP 87 H ASP 87 -3.563 6.162 -17.071 724 HA ASP 87 HA ASP 87 -3.885 8.352 -18.846 725 HB2 ASP 87 2HB ASP 87 -1.674 7.330 -18.287 726 HB3 ASP 87 1HB ASP 87 -2.121 5.878 -19.170 727 H GLU 88 H GLU 88 -4.608 4.891 -19.112 728 HA GLU 88 HA GLU 88 -5.462 4.802 -21.801 729 HB2 GLU 88 2HB GLU 88 -4.891 2.774 -20.538 730 HB3 GLU 88 1HB GLU 88 -6.223 3.055 -19.419 731 HG2 GLU 88 2HG GLU 88 -7.858 2.651 -21.178 732 HG3 GLU 88 1HG GLU 88 -6.583 2.528 -22.388 733 H LEU 89 H LEU 89 -7.271 5.224 -18.755 734 HA LEU 89 HA LEU 89 -9.867 5.499 -19.733 735 HB2 LEU 89 2HB LEU 89 -8.514 6.636 -17.259 736 HB3 LEU 89 1HB LEU 89 -10.219 6.910 -17.576 737 HG LEU 89 HG LEU 89 -9.010 4.128 -17.301 738 HD11 LEU 89 1HD1 LEU 89 -10.431 5.746 -15.162 739 HD12 LEU 89 2HD1 LEU 89 -8.716 5.329 -15.185 740 HD13 LEU 89 3HD1 LEU 89 -9.925 4.058 -15.030 741 HD21 LEU 89 1HD2 LEU 89 -11.342 3.410 -17.007 742 HD22 LEU 89 2HD2 LEU 89 -11.102 4.188 -18.569 743 HD23 LEU 89 3HD2 LEU 89 -11.897 5.069 -17.260 744 H SER 90 H SER 90 -7.311 7.918 -19.271 745 HA SER 90 HA SER 90 -8.714 10.233 -20.037 746 HB2 SER 90 2HB SER 90 -5.751 9.567 -20.277 747 HB3 SER 90 1HB SER 90 -6.434 11.183 -20.483 748 HG SER 90 HG SER 90 -6.980 9.701 -18.154 749 H SER 91 H SER 91 -6.853 7.875 -21.949 750 HA SER 91 HA SER 91 -7.118 9.142 -24.476 751 HB2 SER 91 2HB SER 91 -6.683 6.190 -23.862 752 HB3 SER 91 1HB SER 91 -6.367 6.986 -25.406 753 HG SER 91 HG SER 91 -5.163 7.973 -23.068 754 H LEU 92 H LEU 92 -9.235 6.929 -22.698 755 HA LEU 92 HA LEU 92 -11.031 6.314 -24.853 756 HB2 LEU 92 2HB LEU 92 -11.685 6.216 -21.876 757 HB3 LEU 92 1HB LEU 92 -12.485 5.339 -23.170 758 HG LEU 92 HG LEU 92 -9.701 4.838 -22.080 759 HD11 LEU 92 1HD1 LEU 92 -12.170 3.109 -22.009 760 HD12 LEU 92 2HD1 LEU 92 -11.448 3.983 -20.654 761 HD13 LEU 92 3HD1 LEU 92 -10.568 2.656 -21.414 762 HD21 LEU 92 1HD2 LEU 92 -9.514 2.950 -23.643 763 HD22 LEU 92 2HD2 LEU 92 -9.597 4.495 -24.483 764 HD23 LEU 92 3HD2 LEU 92 -11.017 3.446 -24.430 765 H ILE 93 H ILE 93 -11.026 8.674 -22.221 766 HA ILE 93 HA ILE 93 -13.403 10.108 -22.778 767 HB ILE 93 HB ILE 93 -10.766 10.993 -21.487 768 HG12 ILE 93 2HG1 ILE 93 -13.390 10.234 -20.111 769 HG13 ILE 93 1HG1 ILE 93 -12.080 9.095 -20.387 770 HG21 ILE 93 1HG2 ILE 93 -13.429 12.457 -21.414 771 HG22 ILE 93 2HG2 ILE 93 -11.968 13.001 -22.242 772 HG23 ILE 93 3HG2 ILE 93 -11.996 12.893 -20.480 773 HD11 ILE 93 1HD1 ILE 93 -10.600 10.482 -18.987 774 HD12 ILE 93 2HD1 ILE 93 -12.015 9.875 -18.125 775 HD13 ILE 93 3HD1 ILE 93 -11.962 11.561 -18.650 776 H GLY 94 H GLY 94 -10.155 10.226 -24.094 777 HA2 GLY 94 2HA GLY 94 -9.579 10.803 -26.281 778 HA3 GLY 94 1HA GLY 94 -11.091 11.683 -26.461 779 H GLN 95 H GLN 95 -8.994 12.130 -23.697 780 HA GLN 95 HA GLN 95 -7.888 14.637 -24.740 781 HB2 GLN 95 2HB GLN 95 -9.448 14.384 -22.122 782 HB3 GLN 95 1HB GLN 95 -8.470 15.778 -22.561 783 HG2 GLN 95 2HG GLN 95 -10.934 14.822 -24.053 784 HG3 GLN 95 1HG GLN 95 -10.872 16.185 -22.935 785 HE21 GLN 95 1HE2 GLN 95 -11.522 16.015 -25.846 786 HE22 GLN 95 2HE2 GLN 95 -10.493 17.180 -26.593 787 H VAL 96 H VAL 96 -6.185 15.448 -23.355 788 HA VAL 96 HA VAL 96 -4.519 13.301 -22.180 789 HB VAL 96 HB VAL 96 -3.748 16.016 -23.352 790 HG11 VAL 96 1HG1 VAL 96 -1.391 15.332 -23.079 791 HG12 VAL 96 2HG1 VAL 96 -1.904 13.870 -22.233 792 HG13 VAL 96 3HG1 VAL 96 -2.210 15.456 -21.520 793 HG21 VAL 96 1HG2 VAL 96 -2.675 14.708 -25.153 794 HG22 VAL 96 2HG2 VAL 96 -4.409 14.383 -25.067 795 HG23 VAL 96 3HG2 VAL 96 -3.259 13.209 -24.420 796 H LEU 97 H LEU 97 -3.756 13.470 -20.100 797 HA LEU 97 HA LEU 97 -5.185 14.927 -18.182 798 HB2 LEU 97 2HB LEU 97 -4.011 12.786 -17.744 799 HB3 LEU 97 1HB LEU 97 -2.465 13.603 -17.893 800 HG LEU 97 HG LEU 97 -3.048 14.993 -15.870 801 HD11 LEU 97 1HD1 LEU 97 -4.920 14.339 -14.432 802 HD12 LEU 97 2HD1 LEU 97 -5.461 13.171 -15.640 803 HD13 LEU 97 3HD1 LEU 97 -5.487 14.898 -16.006 804 HD21 LEU 97 1HD2 LEU 97 -1.654 12.992 -15.628 805 HD22 LEU 97 2HD2 LEU 97 -3.093 11.992 -15.406 806 HD23 LEU 97 3HD2 LEU 97 -2.677 13.222 -14.210 807 H PHE 98 H PHE 98 -1.922 15.476 -19.475 808 HA PHE 98 HA PHE 98 -1.737 18.050 -18.061 809 HB2 PHE 98 2HB PHE 98 0.389 16.388 -19.475 810 HB3 PHE 98 1HB PHE 98 0.683 17.976 -18.773 811 HD1 PHE 98 HD1 PHE 98 0.677 14.461 -18.095 812 HD2 PHE 98 HD2 PHE 98 0.081 18.275 -16.242 813 HE1 PHE 98 HE1 PHE 98 1.065 13.454 -15.887 814 HE2 PHE 98 HE2 PHE 98 0.479 17.253 -14.036 815 HZ PHE 98 HZ PHE 98 0.966 14.844 -13.860 816 H GLN 99 H GLN 99 -2.850 19.456 -19.170 817 HA GLN 99 HA GLN 99 -2.036 20.176 -21.930 818 HB2 GLN 99 2HB GLN 99 -4.309 20.850 -22.461 819 HB3 GLN 99 1HB GLN 99 -4.328 19.177 -21.935 820 HG2 GLN 99 2HG GLN 99 -5.163 21.551 -20.236 821 HG3 GLN 99 1HG GLN 99 -6.260 20.489 -21.112 822 HE21 GLN 99 1HE2 GLN 99 -6.553 18.343 -20.341 823 HE22 GLN 99 2HE2 GLN 99 -6.142 17.910 -18.720 824 H GLY 100 H GLY 100 -1.900 20.964 -18.793 825 HA2 GLY 100 2HA GLY 100 -1.072 23.689 -19.288 826 HA3 GLY 100 1HA GLY 100 -2.510 23.545 -18.270 827 HA PRO 101 HA PRO 101 1.722 22.598 -16.034 828 HB2 PRO 101 2HB PRO 101 2.162 24.990 -14.704 829 HB3 PRO 101 1HB PRO 101 2.818 24.625 -16.312 830 HG2 PRO 101 2HG PRO 101 0.368 26.209 -15.605 831 HG3 PRO 101 1HG PRO 101 1.641 26.580 -16.791 832 HD2 PRO 101 2HD PRO 101 -0.729 25.536 -17.571 833 HD3 PRO 101 1HD PRO 101 0.788 25.086 -18.385 834 H SER 102 H SER 102 -1.169 24.338 -14.971 835 HA SER 102 HA SER 102 -1.429 22.419 -12.736 836 HB2 SER 102 2HB SER 102 -0.802 24.622 -11.774 837 HB3 SER 102 1HB SER 102 -2.153 25.388 -12.609 838 HG SER 102 HG SER 102 -2.438 24.731 -10.318 839 H ALA 103 H ALA 103 -2.645 21.176 -14.228 840 HA ALA 103 HA ALA 103 -5.456 21.634 -14.113 841 HB1 ALA 103 1HB ALA 103 -5.926 21.749 -16.535 842 HB2 ALA 103 2HB ALA 103 -4.195 21.827 -16.878 843 HB3 ALA 103 3HB ALA 103 -4.984 23.138 -15.998 844 H GLY 104 H GLY 104 -6.688 19.802 -14.841 845 HA2 GLY 104 2HA GLY 104 -5.193 17.354 -15.599 846 HA3 GLY 104 1HA GLY 104 -6.255 17.346 -14.197 847 H LEU 105 H LEU 105 -7.676 15.785 -15.064 848 HA LEU 105 HA LEU 105 -9.430 16.739 -17.257 849 HB2 LEU 105 2HB LEU 105 -8.473 13.885 -16.791 850 HB3 LEU 105 1HB LEU 105 -9.809 14.294 -17.858 851 HG LEU 105 HG LEU 105 -6.888 15.047 -18.231 852 HD11 LEU 105 1HD1 LEU 105 -7.410 12.736 -18.816 853 HD12 LEU 105 2HD1 LEU 105 -7.035 13.683 -20.253 854 HD13 LEU 105 3HD1 LEU 105 -8.715 13.277 -19.879 855 HD21 LEU 105 1HD2 LEU 105 -9.254 15.862 -19.948 856 HD22 LEU 105 2HD2 LEU 105 -7.551 16.109 -20.351 857 HD23 LEU 105 3HD2 LEU 105 -8.254 16.934 -18.963 858 H VAL 106 H VAL 106 -11.555 15.993 -17.231 859 HA VAL 106 HA VAL 106 -13.570 16.212 -16.214 860 HB VAL 106 HB VAL 106 -14.392 13.991 -15.395 861 HG11 VAL 106 1HG1 VAL 106 -14.072 12.802 -17.528 862 HG12 VAL 106 2HG1 VAL 106 -12.731 13.876 -17.941 863 HG13 VAL 106 3HG1 VAL 106 -14.366 14.523 -17.790 864 HG21 VAL 106 1HG2 VAL 106 -12.396 13.173 -14.210 865 HG22 VAL 106 2HG2 VAL 106 -11.507 13.059 -15.731 866 HG23 VAL 106 3HG2 VAL 106 -12.899 12.013 -15.440 867 HA PRO 107 HA PRO 107 -12.395 17.124 -11.745 868 HB2 PRO 107 2HB PRO 107 -12.125 19.798 -11.783 869 HB3 PRO 107 1HB PRO 107 -10.846 18.773 -12.476 870 HG2 PRO 107 2HG PRO 107 -13.015 20.291 -13.909 871 HG3 PRO 107 1HG PRO 107 -11.286 20.163 -14.301 872 HD2 PRO 107 2HD PRO 107 -13.283 18.610 -15.474 873 HD3 PRO 107 1HD PRO 107 -11.561 18.171 -15.426 874 H ARG 108 H ARG 108 -14.870 17.623 -13.844 875 HA ARG 108 HA ARG 108 -16.913 18.065 -11.855 876 HB2 ARG 108 2HB ARG 108 -17.905 20.012 -13.120 877 HB3 ARG 108 1HB ARG 108 -16.382 20.380 -12.318 878 HG2 ARG 108 2HG ARG 108 -15.190 20.124 -14.490 879 HG3 ARG 108 1HG ARG 108 -16.738 19.825 -15.287 880 HD2 ARG 108 2HD ARG 108 -17.514 22.072 -14.659 881 HD3 ARG 108 1HD ARG 108 -16.005 22.366 -13.788 882 HE ARG 108 HE ARG 108 -15.468 21.705 -16.492 883 HH11 ARG 108 1HH1 ARG 108 -16.674 24.362 -14.510 884 HH12 ARG 108 2HH1 ARG 108 -16.174 25.586 -15.636 885 HH21 ARG 108 1HH2 ARG 108 -14.856 23.323 -17.970 886 HH22 ARG 108 2HH2 ARG 108 -15.141 24.993 -17.597 887 H GLY 109 H GLY 109 -16.138 15.879 -13.435 888 HA2 GLY 109 2HA GLY 109 -17.712 15.606 -15.828 889 HA3 GLY 109 1HA GLY 109 -16.806 14.347 -15.006 890 H SER 110 H SER 110 -18.479 12.831 -15.298 891 HA SER 110 HA SER 110 -21.102 13.387 -14.089 892 HB2 SER 110 2HB SER 110 -21.780 11.257 -15.277 893 HB3 SER 110 1HB SER 110 -21.212 12.537 -16.347 894 HG SER 110 HG SER 110 -19.938 10.132 -15.597 895 H GLY 111 H GLY 111 -20.093 13.327 -11.910 896 HA2 GLY 111 2HA GLY 111 -20.280 12.398 -9.840 897 HA3 GLY 111 1HA GLY 111 -21.222 11.128 -10.584 898 H GLY 112 H GLY 112 -20.163 9.183 -11.237 899 HA2 GLY 112 2HA GLY 112 -18.352 8.272 -9.253 900 HA3 GLY 112 1HA GLY 112 -18.950 7.342 -10.610 901 H ILE 113 H ILE 113 -17.805 9.416 -12.517 902 HA ILE 113 HA ILE 113 -15.193 8.281 -12.829 903 HB ILE 113 HB ILE 113 -16.522 9.009 -14.798 904 HG12 ILE 113 2HG1 ILE 113 -13.858 10.487 -14.571 905 HG13 ILE 113 1HG1 ILE 113 -14.049 8.791 -14.992 906 HG21 ILE 113 1HG2 ILE 113 -15.992 11.860 -13.906 907 HG22 ILE 113 2HG2 ILE 113 -17.557 11.045 -13.879 908 HG23 ILE 113 3HG2 ILE 113 -16.762 11.369 -15.421 909 HD11 ILE 113 1HD1 ILE 113 -13.592 10.095 -16.949 910 HD12 ILE 113 2HD1 ILE 113 -14.963 11.153 -16.630 911 HD13 ILE 113 3HD1 ILE 113 -15.231 9.457 -17.045 912 H GLU 114 H GLU 114 -16.458 11.302 -11.496 913 HA GLU 114 HA GLU 114 -14.008 12.672 -11.051 914 HB2 GLU 114 2HB GLU 114 -16.628 12.843 -9.495 915 HB3 GLU 114 1HB GLU 114 -15.317 14.020 -9.413 916 HG2 GLU 114 2HG GLU 114 -15.673 14.627 -11.760 917 HG3 GLU 114 1HG GLU 114 -16.919 13.387 -11.914 918 H GLY 115 H GLY 115 -16.002 10.493 -9.064 919 HA2 GLY 115 2HA GLY 115 -14.482 10.312 -6.735 920 HA3 GLY 115 1HA GLY 115 -15.494 9.033 -7.385 921 H MET1001 H MET 1 -14.405 8.114 -9.541 922 HA MET1001 HA MET 1 -12.360 6.416 -8.787 923 HB2 MET1001 2HB MET 1 -13.887 5.986 -10.674 924 HB3 MET1001 1HB MET 1 -13.190 7.319 -11.581 925 HG2 MET1001 2HG MET 1 -11.037 6.081 -11.698 926 HG3 MET1001 1HG MET 1 -11.786 4.737 -10.835 927 HE1 MET1001 1HE MET 1 -11.924 6.920 -14.171 928 HE2 MET1001 2HE MET 1 -13.570 7.015 -13.540 929 HE3 MET1001 3HE MET 1 -13.242 6.115 -15.020 930 H THR1002 H THR 2 -12.054 9.360 -10.815 931 HA THR1002 HA THR 2 -9.275 9.070 -11.305 932 HB THR1002 HB THR 2 -9.409 11.484 -12.107 933 HG1 THR1002 HG1 THR 2 -12.105 11.619 -12.199 934 HG21 THR1002 1HG2 THR 2 -10.797 10.973 -14.081 935 HG22 THR1002 2HG2 THR 2 -11.487 9.575 -13.250 936 HG23 THR1002 3HG2 THR 2 -9.769 9.602 -13.663 937 H THR1003 H THR 3 -11.051 11.363 -9.141 938 HA THR1003 HA THR 3 -8.770 12.692 -8.175 939 HB THR1003 HB THR 3 -11.448 12.351 -6.755 940 HG1 THR1003 HG1 THR 3 -11.594 13.215 -8.909 941 HG21 THR1003 1HG2 THR 3 -9.350 14.541 -6.463 942 HG22 THR1003 2HG2 THR 3 -9.714 13.305 -5.257 943 HG23 THR1003 3HG2 THR 3 -10.929 14.517 -5.673 944 H ARG1004 H ARG 4 -10.593 9.931 -6.816 945 HA ARG1004 HA ARG 4 -9.148 9.519 -4.459 946 HB2 ARG1004 2HB ARG 4 -10.647 7.547 -6.218 947 HB3 ARG1004 1HB ARG 4 -9.891 7.064 -4.704 948 HG2 ARG1004 2HG ARG 4 -11.329 8.699 -3.500 949 HG3 ARG1004 1HG ARG 4 -12.127 9.083 -5.026 950 HD2 ARG1004 2HD ARG 4 -12.667 6.560 -5.176 951 HD3 ARG1004 1HD ARG 4 -12.195 6.483 -3.474 952 HE ARG1004 HE ARG 4 -13.991 8.104 -3.009 953 HH11 ARG1004 1HH1 ARG 4 -14.170 6.324 -6.048 954 HH12 ARG1004 2HH1 ARG 4 -15.886 6.525 -6.214 955 HH21 ARG1004 1HH2 ARG 4 -16.235 8.430 -3.281 956 HH22 ARG1004 2HH2 ARG 4 -17.058 7.721 -4.637 957 H LEU1005 H LEU 5 -8.740 7.774 -7.612 958 HA LEU1005 HA LEU 5 -6.525 6.270 -6.760 959 HB2 LEU1005 2HB LEU 5 -7.550 6.906 -9.538 960 HB3 LEU1005 1HB LEU 5 -6.138 5.892 -9.288 961 HG LEU1005 HG LEU 5 -8.952 5.280 -8.293 962 HD11 LEU1005 1HD1 LEU 5 -8.905 3.445 -9.935 963 HD12 LEU1005 2HD1 LEU 5 -7.334 4.006 -10.521 964 HD13 LEU1005 3HD1 LEU 5 -8.765 5.025 -10.708 965 HD21 LEU1005 1HD2 LEU 5 -6.428 3.596 -8.048 966 HD22 LEU1005 2HD2 LEU 5 -8.061 3.099 -7.591 967 HD23 LEU1005 3HD2 LEU 5 -7.270 4.411 -6.724 968 H THR1006 H THR 6 -6.596 9.431 -8.402 969 HA THR1006 HA THR 6 -3.802 9.566 -8.936 970 HB THR1006 HB THR 6 -4.159 12.072 -9.124 971 HG1 THR1006 HG1 THR 6 -6.779 11.330 -8.314 972 HG21 THR1006 1HG2 THR 6 -4.485 10.605 -11.098 973 HG22 THR1006 2HG2 THR 6 -5.598 11.975 -11.118 974 HG23 THR1006 3HG2 THR 6 -6.176 10.376 -10.646 975 H ARG1007 H ARG 7 -5.760 10.916 -6.219 976 HA ARG1007 HA ARG 7 -3.524 11.881 -4.720 977 HB2 ARG1007 2HB ARG 7 -6.344 11.183 -3.818 978 HB3 ARG1007 1HB ARG 7 -5.154 12.009 -2.812 979 HG2 ARG1007 2HG ARG 7 -5.072 13.850 -4.524 980 HG3 ARG1007 1HG ARG 7 -6.378 13.038 -5.394 981 HD2 ARG1007 2HD ARG 7 -7.236 14.869 -3.987 982 HD3 ARG1007 1HD ARG 7 -7.860 13.309 -3.449 983 HE ARG1007 HE ARG 7 -6.666 13.499 -1.484 984 HH11 ARG1007 1HH1 ARG 7 -5.719 16.155 -3.609 985 HH12 ARG1007 2HH1 ARG 7 -4.872 17.003 -2.354 986 HH21 ARG1007 1HH2 ARG 7 -5.504 14.603 0.123 987 HH22 ARG1007 2HH2 ARG 7 -4.753 16.125 -0.248 988 H TRP1008 H TRP 8 -5.010 8.778 -5.045 989 HA TRP1008 HA TRP 8 -3.912 7.490 -2.753 990 HB2 TRP1008 2HB TRP 8 -5.700 6.208 -3.437 991 HB3 TRP1008 1HB TRP 8 -5.589 6.753 -5.093 992 HD1 TRP1008 HD1 TRP 8 -3.961 5.303 -6.731 993 HE1 TRP1008 HE1 TRP 8 -3.346 2.830 -6.675 994 HE3 TRP1008 HE3 TRP 8 -5.281 4.230 -1.922 995 HZ2 TRP1008 HZ2 TRP 8 -3.439 0.673 -4.891 996 HZ3 TRP1008 HZ3 TRP 8 -5.014 1.924 -1.122 997 HH2 TRP1008 HH2 TRP 8 -4.109 0.181 -2.581 998 H LEU1009 H LEU 9 -2.872 7.879 -6.161 999 HA LEU1009 HA LEU 9 -0.626 6.073 -5.996 1000 HB2 LEU1009 2HB LEU 9 -1.159 8.313 -8.008 1001 HB3 LEU1009 1HB LEU 9 0.140 7.143 -8.143 1002 HG LEU1009 HG LEU 9 -2.837 6.542 -8.369 1003 HD11 LEU1009 1HD1 LEU 9 -0.672 6.482 -10.491 1004 HD12 LEU1009 2HD1 LEU 9 -1.945 7.695 -10.333 1005 HD13 LEU1009 3HD1 LEU 9 -2.368 6.028 -10.714 1006 HD21 LEU1009 1HD2 LEU 9 -0.520 4.611 -8.644 1007 HD22 LEU1009 2HD2 LEU 9 -2.225 4.253 -8.953 1008 HD23 LEU1009 3HD2 LEU 9 -1.690 4.651 -7.322 1009 H THR1010 H THR 10 -1.207 9.483 -5.529 1010 HA THR1010 HA THR 10 1.401 10.435 -5.073 1011 HB THR1010 HB THR 10 -1.323 11.361 -4.071 1012 HG1 THR1010 HG1 THR 10 -1.004 11.429 -6.346 1013 HG21 THR1010 1HG2 THR 10 0.413 12.305 -2.607 1014 HG22 THR1010 2HG2 THR 10 -0.282 13.552 -3.644 1015 HG23 THR1010 3HG2 THR 10 1.303 12.878 -4.021 1016 H ALA1011 H ALA 11 -1.064 9.120 -2.826 1017 HA ALA1011 HA ALA 11 0.528 9.273 -0.459 1018 HB1 ALA1011 1HB ALA 11 -1.913 7.560 -1.038 1019 HB2 ALA1011 2HB ALA 11 -1.933 9.199 -0.388 1020 HB3 ALA1011 3HB ALA 11 -1.233 7.886 0.560 1021 H LEU1012 H LEU 12 0.285 6.943 -3.060 1022 HA LEU1012 HA LEU 12 1.583 4.748 -1.758 1023 HB2 LEU1012 2HB LEU 12 1.261 5.382 -4.724 1024 HB3 LEU1012 1HB LEU 12 1.971 3.899 -4.116 1025 HG LEU1012 HG LEU 12 -0.930 4.772 -3.943 1026 HD11 LEU1012 1HD1 LEU 12 -0.272 3.710 -6.032 1027 HD12 LEU1012 2HD1 LEU 12 -1.359 2.663 -5.123 1028 HD13 LEU1012 3HD1 LEU 12 0.373 2.322 -5.152 1029 HD21 LEU1012 1HD2 LEU 12 -1.401 2.730 -2.639 1030 HD22 LEU1012 2HD2 LEU 12 -0.401 3.876 -1.750 1031 HD23 LEU1012 3HD2 LEU 12 0.336 2.443 -2.474 1032 H ASP1013 H ASP 13 2.706 7.342 -3.948 1033 HA ASP1013 HA ASP 13 5.453 6.648 -3.956 1034 HB2 ASP1013 2HB ASP 13 3.982 9.244 -4.553 1035 HB3 ASP1013 1HB ASP 13 5.741 9.156 -4.631 1036 H ASN1014 H ASN 14 3.511 8.689 -1.868 1037 HA ASN1014 HA ASN 14 5.424 9.841 -0.205 1038 HB2 ASN1014 2HB ASN 14 3.081 10.535 -0.141 1039 HB3 ASN1014 1HB ASN 14 2.571 8.930 0.369 1040 HD21 ASN1014 1HD2 ASN 14 2.922 8.294 2.513 1041 HD22 ASN1014 2HD2 ASN 14 3.279 9.438 3.755 1042 H PHE1015 H PHE 15 3.587 6.817 0.196 1043 HA PHE1015 HA PHE 15 4.759 5.905 2.574 1044 HB2 PHE1015 2HB PHE 15 2.647 5.011 1.891 1045 HB3 PHE1015 1HB PHE 15 3.270 4.506 0.327 1046 HD1 PHE1015 HD1 PHE 15 3.613 2.232 0.068 1047 HD2 PHE1015 HD2 PHE 15 4.012 3.869 3.982 1048 HE1 PHE1015 HE1 PHE 15 4.024 -0.006 0.947 1049 HE2 PHE1015 HE2 PHE 15 4.428 1.603 4.875 1050 HZ PHE1015 HZ PHE 15 4.435 -0.335 3.341 1051 H GLU1016 H GLU 16 5.275 4.637 -0.748 1052 HA GLU1016 HA GLU 16 7.349 2.950 -0.480 1053 HB2 GLU1016 2HB GLU 16 6.168 3.524 -2.637 1054 HB3 GLU1016 1HB GLU 16 7.154 4.978 -2.748 1055 HG2 GLU1016 2HG GLU 16 9.201 3.436 -2.711 1056 HG3 GLU1016 1HG GLU 16 8.083 2.091 -2.920 1057 H ALA1017 H ALA 17 7.725 6.473 -0.990 1058 HA ALA1017 HA ALA 17 10.525 6.557 -0.995 1059 HB1 ALA1017 1HB ALA 17 10.305 8.962 -0.617 1060 HB2 ALA1017 2HB ALA 17 8.611 8.754 -0.153 1061 HB3 ALA1017 3HB ALA 17 9.128 8.405 -1.805 1062 H LYS1018 H LYS 18 8.303 7.424 1.693 1063 HA LYS1018 HA LYS 18 10.418 7.988 3.504 1064 HB2 LYS1018 2HB LYS 18 7.456 7.464 3.978 1065 HB3 LYS1018 1HB LYS 18 8.559 8.011 5.236 1066 HG2 LYS1018 2HG LYS 18 7.888 9.538 2.693 1067 HG3 LYS1018 1HG LYS 18 7.242 9.870 4.306 1068 HD2 LYS1018 2HD LYS 18 9.560 10.332 5.115 1069 HD3 LYS1018 1HD LYS 18 10.166 10.054 3.479 1070 HE2 LYS1018 2HE LYS 18 8.235 12.249 4.303 1071 HE3 LYS1018 1HE LYS 18 9.954 12.452 3.963 1072 HZ1 LYS1018 1HZ LYS 18 8.705 13.089 2.044 1073 HZ2 LYS1018 2HZ LYS 18 7.851 11.631 2.036 1074 HZ3 LYS1018 3HZ LYS 18 9.499 11.642 1.687 1075 H MET1019 H MET 19 8.601 5.030 2.860 1076 HA MET1019 HA MET 19 9.477 3.739 5.293 1077 HB2 MET1019 2HB MET 19 8.061 1.937 4.796 1078 HB3 MET1019 1HB MET 19 7.183 3.336 4.212 1079 HG2 MET1019 2HG MET 19 7.148 2.550 2.081 1080 HG3 MET1019 1HG MET 19 8.841 2.068 2.120 1081 HE1 MET1019 1HE MET 19 9.664 -0.154 3.394 1082 HE2 MET1019 2HE MET 19 8.552 -1.374 4.011 1083 HE3 MET1019 3HE MET 19 8.665 0.191 4.814 1084 H ALA1020 H ALA 20 10.468 3.808 1.908 1085 HA ALA1020 HA ALA 20 12.425 1.686 2.190 1086 HB1 ALA1020 1HB ALA 20 13.291 2.457 0.019 1087 HB2 ALA1020 2HB ALA 20 12.255 3.888 0.090 1088 HB3 ALA1020 3HB ALA 20 11.537 2.279 -0.034 1089 H LEU1021 H LEU 21 12.279 5.115 2.836 1090 HA LEU1021 HA LEU 21 15.127 5.400 3.325 1091 HB2 LEU1021 2HB LEU 21 12.808 7.296 3.863 1092 HB3 LEU1021 1HB LEU 21 14.496 7.692 4.147 1093 HG LEU1021 HG LEU 21 13.197 7.156 1.444 1094 HD11 LEU1021 1HD1 LEU 21 14.422 9.696 2.565 1095 HD12 LEU1021 2HD1 LEU 21 12.698 9.372 2.362 1096 HD13 LEU1021 3HD1 LEU 21 13.740 9.486 0.948 1097 HD21 LEU1021 1HD2 LEU 21 16.121 7.716 2.034 1098 HD22 LEU1021 2HD2 LEU 21 15.383 7.643 0.431 1099 HD23 LEU1021 3HD2 LEU 21 15.441 6.199 1.436 1100 H LEU1022 H LEU 22 12.386 4.342 5.238 1101 HA LEU1022 HA LEU 22 13.440 4.487 7.826 1102 HB2 LEU1022 2HB LEU 22 12.030 2.126 6.515 1103 HB3 LEU1022 1HB LEU 22 12.360 2.218 8.236 1104 HG LEU1022 HG LEU 22 10.511 4.083 6.687 1105 HD11 LEU1022 1HD1 LEU 22 8.694 2.999 7.945 1106 HD12 LEU1022 2HD1 LEU 22 9.846 1.866 8.659 1107 HD13 LEU1022 3HD1 LEU 22 9.548 1.848 6.918 1108 HD21 LEU1022 1HD2 LEU 22 9.861 4.970 8.876 1109 HD22 LEU1022 2HD2 LEU 22 11.567 5.262 8.541 1110 HD23 LEU1022 3HD2 LEU 22 11.093 3.974 9.656 1111 HA PRO1023 HA PRO 23 17.156 1.859 7.098 1112 HB2 PRO1023 2HB PRO 23 18.811 2.963 8.910 1113 HB3 PRO1023 1HB PRO 23 18.354 3.853 7.442 1114 HG2 PRO1023 2HG PRO 23 17.347 4.212 10.238 1115 HG3 PRO1023 1HG PRO 23 17.685 5.435 8.996 1116 HD2 PRO1023 2HD PRO 23 15.139 4.349 9.600 1117 HD3 PRO1023 1HD PRO 23 15.546 5.306 8.159 1118 H ALA1024 H ALA 24 15.016 2.030 9.727 1119 HA ALA1024 HA ALA 24 16.250 0.297 11.646 1120 HB1 ALA1024 1HB ALA 24 14.448 1.876 12.267 1121 HB2 ALA1024 2HB ALA 24 13.994 0.222 12.676 1122 HB3 ALA1024 3HB ALA 24 13.301 1.001 11.249 1123 H VAL1025 H VAL 25 13.800 -0.131 9.145 1124 HA VAL1025 HA VAL 25 14.157 -3.052 9.161 1125 HB VAL1025 HB VAL 25 11.620 -3.242 8.740 1126 HG11 VAL1025 1HG1 VAL 25 12.634 -3.972 10.846 1127 HG12 VAL1025 2HG1 VAL 25 11.055 -3.244 11.147 1128 HG13 VAL1025 3HG1 VAL 25 12.528 -2.334 11.497 1129 HG21 VAL1025 1HG2 VAL 25 11.138 -0.858 8.263 1130 HG22 VAL1025 2HG2 VAL 25 11.568 -0.428 9.918 1131 HG23 VAL1025 3HG2 VAL 25 10.154 -1.441 9.610 Start of MODEL 15 1 H1 MET 1 1H MET 1 5.901 -7.047 25.494 2 H2 MET 1 2H MET 1 4.276 -7.003 25.031 3 H3 MET 1 3H MET 1 5.120 -5.565 25.304 4 HA MET 1 HA MET 1 6.499 -5.890 23.442 5 HB2 MET 1 2HB MET 1 6.306 -7.903 22.008 6 HB3 MET 1 1HB MET 1 6.734 -8.345 23.652 7 HG2 MET 1 2HG MET 1 4.493 -9.137 24.094 8 HG3 MET 1 1HG MET 1 3.919 -8.520 22.542 9 HE1 MET 1 1HE MET 1 3.741 -12.378 21.925 10 HE2 MET 1 2HE MET 1 2.862 -10.849 21.838 11 HE3 MET 1 3HE MET 1 3.323 -11.522 23.406 12 H THR 2 H THR 2 3.815 -4.743 24.152 13 HA THR 2 HA THR 2 1.876 -5.311 22.191 14 HB THR 2 HB THR 2 1.316 -4.266 24.362 15 HG1 THR 2 HG1 THR 2 -0.179 -4.042 22.669 16 HG21 THR 2 1HG2 THR 2 3.175 -2.651 24.571 17 HG22 THR 2 2HG2 THR 2 1.610 -1.855 24.750 18 HG23 THR 2 3HG2 THR 2 2.507 -1.706 23.236 19 H SER 3 H SER 3 4.444 -2.847 22.248 20 HA SER 3 HA SER 3 3.682 -1.382 19.949 21 HB2 SER 3 2HB SER 3 6.501 -1.770 21.057 22 HB3 SER 3 1HB SER 3 5.939 -0.435 20.048 23 HG SER 3 HG SER 3 4.437 0.026 21.804 24 H THR 4 H THR 4 5.756 -4.199 20.438 25 HA THR 4 HA THR 4 6.685 -4.621 17.812 26 HB THR 4 HB THR 4 6.292 -6.525 20.160 27 HG1 THR 4 HG1 THR 4 8.679 -5.369 19.103 28 HG21 THR 4 1HG2 THR 4 7.801 -7.091 17.578 29 HG22 THR 4 2HG2 THR 4 6.329 -7.903 18.118 30 HG23 THR 4 3HG2 THR 4 7.831 -8.103 19.023 31 H VAL 5 H VAL 5 3.791 -5.835 19.536 32 HA VAL 5 HA VAL 5 2.917 -7.614 17.502 33 HB VAL 5 HB VAL 5 1.287 -6.327 19.747 34 HG11 VAL 5 1HG1 VAL 5 0.600 -8.755 18.041 35 HG12 VAL 5 2HG1 VAL 5 -0.197 -7.181 17.963 36 HG13 VAL 5 3HG1 VAL 5 -0.332 -8.167 19.420 37 HG21 VAL 5 1HG2 VAL 5 1.644 -8.444 20.970 38 HG22 VAL 5 2HG2 VAL 5 3.184 -7.672 20.593 39 HG23 VAL 5 3HG2 VAL 5 2.639 -9.054 19.644 40 H GLU 6 H GLU 6 1.984 -4.241 18.337 41 HA GLU 6 HA GLU 6 0.115 -3.804 16.297 42 HB2 GLU 6 2HB GLU 6 2.052 -1.779 17.506 43 HB3 GLU 6 1HB GLU 6 0.655 -1.367 16.519 44 HG2 GLU 6 2HG GLU 6 0.612 -2.662 19.252 45 HG3 GLU 6 1HG GLU 6 0.170 -1.004 18.870 46 H PHE 7 H PHE 7 3.630 -3.271 16.336 47 HA PHE 7 HA PHE 7 4.042 -2.120 13.843 48 HB2 PHE 7 2HB PHE 7 5.688 -2.333 15.745 49 HB3 PHE 7 1HB PHE 7 5.904 -4.027 15.334 50 HD1 PHE 7 HD1 PHE 7 7.901 -4.488 14.188 51 HD2 PHE 7 HD2 PHE 7 5.995 -0.708 13.553 52 HE1 PHE 7 HE1 PHE 7 9.738 -3.804 12.704 53 HE2 PHE 7 HE2 PHE 7 7.833 -0.040 12.066 54 HZ PHE 7 HZ PHE 7 9.706 -1.582 11.644 55 H ILE 8 H ILE 8 4.434 -5.582 14.671 56 HA ILE 8 HA ILE 8 5.013 -6.543 12.082 57 HB ILE 8 HB ILE 8 3.944 -8.078 14.504 58 HG12 ILE 8 2HG1 ILE 8 6.827 -7.716 13.551 59 HG13 ILE 8 1HG1 ILE 8 6.111 -6.891 14.929 60 HG21 ILE 8 1HG2 ILE 8 4.873 -10.115 13.436 61 HG22 ILE 8 2HG2 ILE 8 5.313 -9.168 12.014 62 HG23 ILE 8 3HG2 ILE 8 3.615 -9.380 12.434 63 HD11 ILE 8 1HD1 ILE 8 6.531 -9.866 14.681 64 HD12 ILE 8 2HD1 ILE 8 5.826 -9.029 16.066 65 HD13 ILE 8 3HD1 ILE 8 7.507 -8.740 15.624 66 H ASN 9 H ASN 9 1.943 -6.331 13.902 67 HA ASN 9 HA ASN 9 0.408 -7.891 12.028 68 HB2 ASN 9 2HB ASN 9 -0.440 -6.160 14.380 69 HB3 ASN 9 1HB ASN 9 -1.597 -7.008 13.361 70 HD21 ASN 9 1HD2 ASN 9 1.574 -8.276 14.451 71 HD22 ASN 9 2HD2 ASN 9 0.897 -9.543 15.399 72 H ARG 10 H ARG 10 1.069 -4.458 12.418 73 HA ARG 10 HA ARG 10 -0.939 -3.576 10.550 74 HB2 ARG 10 2HB ARG 10 1.511 -2.170 11.690 75 HB3 ARG 10 1HB ARG 10 0.404 -1.398 10.554 76 HG2 ARG 10 2HG ARG 10 -1.422 -1.528 12.112 77 HG3 ARG 10 1HG ARG 10 -0.493 -2.558 13.201 78 HD2 ARG 10 2HD ARG 10 1.116 -0.601 13.497 79 HD3 ARG 10 1HD ARG 10 -0.071 0.394 12.636 80 HE ARG 10 HE ARG 10 -1.220 -1.077 14.817 81 HH11 ARG 10 1HH1 ARG 10 0.557 1.890 14.099 82 HH12 ARG 10 2HH1 ARG 10 -0.015 2.707 15.514 83 HH21 ARG 10 1HH2 ARG 10 -1.941 0.001 16.637 84 HH22 ARG 10 2HH2 ARG 10 -1.441 1.622 16.960 85 H TRP 11 H TRP 11 2.584 -4.262 10.361 86 HA TRP 11 HA TRP 11 2.868 -3.724 7.595 87 HB2 TRP 11 2HB TRP 11 4.465 -5.478 9.495 88 HB3 TRP 11 1HB TRP 11 4.863 -5.408 7.777 89 HD1 TRP 11 HD1 TRP 11 5.816 -3.772 10.897 90 HE1 TRP 11 HE1 TRP 11 6.962 -1.528 10.442 91 HE3 TRP 11 HE3 TRP 11 4.533 -3.134 5.995 92 HZ2 TRP 11 HZ2 TRP 11 7.299 0.296 8.340 93 HZ3 TRP 11 HZ3 TRP 11 5.295 -1.108 4.837 94 HH2 TRP 11 HH2 TRP 11 6.647 0.572 5.987 95 H GLN 12 H GLN 12 1.936 -6.659 9.323 96 HA GLN 12 HA GLN 12 1.680 -8.447 7.167 97 HB2 GLN 12 2HB GLN 12 1.636 -9.150 9.549 98 HB3 GLN 12 1HB GLN 12 0.101 -8.320 9.784 99 HG2 GLN 12 2HG GLN 12 -0.921 -9.889 8.098 100 HG3 GLN 12 1HG GLN 12 0.615 -10.757 8.050 101 HE21 GLN 12 1HE2 GLN 12 -0.306 -12.668 8.830 102 HE22 GLN 12 2HE2 GLN 12 -0.854 -12.849 10.460 103 H ARG 13 H ARG 13 -0.586 -6.164 8.655 104 HA ARG 13 HA ARG 13 -2.912 -6.725 7.184 105 HB2 ARG 13 2HB ARG 13 -2.893 -5.434 9.299 106 HB3 ARG 13 1HB ARG 13 -2.002 -4.137 8.523 107 HG2 ARG 13 2HG ARG 13 -4.332 -3.502 8.822 108 HG3 ARG 13 1HG ARG 13 -3.957 -3.629 7.105 109 HD2 ARG 13 2HD ARG 13 -5.271 -5.909 8.616 110 HD3 ARG 13 1HD ARG 13 -6.211 -4.582 7.923 111 HE ARG 13 HE ARG 13 -4.647 -5.450 5.864 112 HH11 ARG 13 1HH1 ARG 13 -7.058 -7.000 7.899 113 HH12 ARG 13 2HH1 ARG 13 -7.523 -8.131 6.668 114 HH21 ARG 13 1HH2 ARG 13 -5.261 -6.930 4.290 115 HH22 ARG 13 2HH2 ARG 13 -6.504 -8.088 4.634 116 H ILE 14 H ILE 14 -0.257 -4.441 6.566 117 HA ILE 14 HA ILE 14 -1.408 -3.183 4.267 118 HB ILE 14 HB ILE 14 1.499 -3.273 5.221 119 HG12 ILE 14 2HG1 ILE 14 -0.601 -1.099 5.616 120 HG13 ILE 14 1HG1 ILE 14 -0.122 -2.260 6.844 121 HG21 ILE 14 1HG2 ILE 14 1.341 -2.617 2.829 122 HG22 ILE 14 2HG2 ILE 14 1.919 -1.298 3.838 123 HG23 ILE 14 3HG2 ILE 14 0.249 -1.306 3.266 124 HD11 ILE 14 1HD1 ILE 14 1.635 -0.172 5.590 125 HD12 ILE 14 2HD1 ILE 14 2.154 -1.371 6.779 126 HD13 ILE 14 3HD1 ILE 14 0.950 -0.160 7.216 127 H ALA 15 H ALA 15 0.869 -5.896 4.735 128 HA ALA 15 HA ALA 15 1.559 -6.340 2.023 129 HB1 ALA 15 1HB ALA 15 2.346 -8.545 2.768 130 HB2 ALA 15 2HB ALA 15 1.496 -8.341 4.306 131 HB3 ALA 15 3HB ALA 15 2.847 -7.282 3.895 132 H LEU 16 H LEU 16 -0.935 -7.795 4.102 133 HA LEU 16 HA LEU 16 -2.116 -9.530 2.227 134 HB2 LEU 16 2HB LEU 16 -3.289 -8.198 4.696 135 HB3 LEU 16 1HB LEU 16 -4.127 -9.439 3.779 136 HG LEU 16 HG LEU 16 -1.494 -9.829 5.259 137 HD11 LEU 16 1HD1 LEU 16 -4.265 -10.829 5.994 138 HD12 LEU 16 2HD1 LEU 16 -3.381 -9.535 6.804 139 HD13 LEU 16 3HD1 LEU 16 -2.762 -11.183 6.854 140 HD21 LEU 16 1HD2 LEU 16 -1.614 -11.274 3.286 141 HD22 LEU 16 2HD2 LEU 16 -3.196 -11.874 3.792 142 HD23 LEU 16 3HD2 LEU 16 -1.764 -12.222 4.765 143 H LEU 17 H LEU 17 -2.890 -6.181 3.145 144 HA LEU 17 HA LEU 17 -5.181 -5.840 1.545 145 HB2 LEU 17 2HB LEU 17 -3.216 -3.903 2.785 146 HB3 LEU 17 1HB LEU 17 -4.451 -3.300 1.693 147 HG LEU 17 HG LEU 17 -5.089 -4.885 4.214 148 HD11 LEU 17 1HD1 LEU 17 -5.689 -2.775 5.287 149 HD12 LEU 17 2HD1 LEU 17 -5.157 -1.874 3.864 150 HD13 LEU 17 3HD1 LEU 17 -3.985 -2.776 4.826 151 HD21 LEU 17 1HD2 LEU 17 -6.880 -3.215 2.412 152 HD22 LEU 17 2HD2 LEU 17 -7.374 -4.060 3.883 153 HD23 LEU 17 3HD2 LEU 17 -6.835 -4.981 2.482 154 H SER 18 H SER 18 -1.745 -5.042 0.870 155 HA SER 18 HA SER 18 -2.175 -3.825 -1.641 156 HB2 SER 18 2HB SER 18 0.298 -4.112 -1.950 157 HB3 SER 18 1HB SER 18 -0.127 -3.409 -0.389 158 HG SER 18 HG SER 18 0.771 -5.027 0.546 159 H GLN 19 H GLN 19 -1.275 -7.194 -0.777 160 HA GLN 19 HA GLN 19 -0.980 -8.091 -3.457 161 HB2 GLN 19 2HB GLN 19 -0.920 -10.352 -2.591 162 HB3 GLN 19 1HB GLN 19 0.004 -9.300 -1.526 163 HG2 GLN 19 2HG GLN 19 -1.960 -9.244 0.033 164 HG3 GLN 19 1HG GLN 19 -2.769 -10.412 -1.013 165 HE21 GLN 19 1HE2 GLN 19 -2.887 -11.950 0.638 166 HE22 GLN 19 2HE2 GLN 19 -1.500 -12.805 1.213 167 H SER 20 H SER 20 -3.755 -8.104 -1.220 168 HA SER 20 HA SER 20 -5.601 -9.457 -2.864 169 HB2 SER 20 2HB SER 20 -6.039 -7.356 -0.701 170 HB3 SER 20 1HB SER 20 -7.351 -8.251 -1.473 171 HG SER 20 HG SER 20 -5.492 -9.086 0.395 172 H LEU 21 H LEU 21 -4.938 -5.994 -2.468 173 HA LEU 21 HA LEU 21 -6.765 -4.902 -4.268 174 HB2 LEU 21 2HB LEU 21 -4.071 -3.892 -3.291 175 HB3 LEU 21 1HB LEU 21 -5.150 -2.912 -4.270 176 HG LEU 21 HG LEU 21 -5.972 -4.033 -1.560 177 HD11 LEU 21 1HD1 LEU 21 -4.027 -2.608 -1.200 178 HD12 LEU 21 2HD1 LEU 21 -5.481 -1.818 -0.597 179 HD13 LEU 21 3HD1 LEU 21 -4.770 -1.308 -2.132 180 HD21 LEU 21 1HD2 LEU 21 -7.126 -1.796 -3.249 181 HD22 LEU 21 2HD2 LEU 21 -7.696 -2.287 -1.652 182 HD23 LEU 21 3HD2 LEU 21 -7.830 -3.398 -3.010 183 H LEU 22 H LEU 22 -3.499 -6.177 -4.718 184 HA LEU 22 HA LEU 22 -3.087 -5.301 -7.372 185 HB2 LEU 22 2HB LEU 22 -1.215 -6.072 -5.986 186 HB3 LEU 22 1HB LEU 22 -1.902 -7.689 -5.906 187 HG LEU 22 HG LEU 22 -1.582 -7.948 -8.369 188 HD11 LEU 22 1HD1 LEU 22 -0.241 -6.320 -9.635 189 HD12 LEU 22 2HD1 LEU 22 -0.271 -5.217 -8.255 190 HD13 LEU 22 3HD1 LEU 22 -1.772 -5.643 -9.085 191 HD21 LEU 22 1HD2 LEU 22 0.973 -7.187 -6.928 192 HD22 LEU 22 2HD2 LEU 22 0.843 -8.193 -8.373 193 HD23 LEU 22 3HD2 LEU 22 0.162 -8.754 -6.850 194 H GLU 23 H GLU 23 -4.223 -8.419 -6.036 195 HA GLU 23 HA GLU 23 -4.643 -9.793 -8.461 196 HB2 GLU 23 2HB GLU 23 -6.092 -10.131 -5.803 197 HB3 GLU 23 1HB GLU 23 -6.102 -11.307 -7.116 198 HG2 GLU 23 2HG GLU 23 -3.696 -11.660 -6.861 199 HG3 GLU 23 1HG GLU 23 -3.623 -10.421 -5.614 200 H LEU 24 H LEU 24 -6.713 -7.697 -6.572 201 HA LEU 24 HA LEU 24 -9.138 -7.946 -7.992 202 HB2 LEU 24 2HB LEU 24 -8.025 -5.667 -6.323 203 HB3 LEU 24 1HB LEU 24 -9.680 -5.730 -6.903 204 HG LEU 24 HG LEU 24 -8.532 -7.887 -5.102 205 HD11 LEU 24 1HD1 LEU 24 -9.590 -6.725 -3.189 206 HD12 LEU 24 2HD1 LEU 24 -9.929 -5.346 -4.239 207 HD13 LEU 24 3HD1 LEU 24 -8.263 -5.809 -3.901 208 HD21 LEU 24 1HD2 LEU 24 -11.394 -7.068 -5.682 209 HD22 LEU 24 2HD2 LEU 24 -10.881 -8.345 -4.576 210 HD23 LEU 24 3HD2 LEU 24 -10.571 -8.504 -6.301 211 H ALA 25 H ALA 25 -6.423 -5.648 -8.278 212 HA ALA 25 HA ALA 25 -7.583 -4.056 -10.361 213 HB1 ALA 25 1HB ALA 25 -5.888 -3.197 -8.777 214 HB2 ALA 25 2HB ALA 25 -5.382 -2.978 -10.451 215 HB3 ALA 25 3HB ALA 25 -4.678 -4.273 -9.477 216 H GLN 26 H GLN 26 -5.481 -6.877 -10.306 217 HA GLN 26 HA GLN 26 -4.735 -6.955 -13.050 218 HB2 GLN 26 2HB GLN 26 -4.858 -9.117 -10.903 219 HB3 GLN 26 1HB GLN 26 -4.292 -9.445 -12.534 220 HG2 GLN 26 2HG GLN 26 -3.005 -7.469 -10.620 221 HG3 GLN 26 1HG GLN 26 -2.448 -9.116 -10.902 222 HE21 GLN 26 1HE2 GLN 26 -0.936 -6.688 -11.302 223 HE22 GLN 26 2HE2 GLN 26 -0.528 -6.619 -12.978 224 H ARG 27 H ARG 27 -7.438 -8.315 -11.176 225 HA ARG 27 HA ARG 27 -8.603 -9.666 -13.479 226 HB2 ARG 27 2HB ARG 27 -8.637 -10.671 -11.180 227 HB3 ARG 27 1HB ARG 27 -9.691 -9.369 -10.642 228 HG2 ARG 27 2HG ARG 27 -10.966 -11.411 -11.069 229 HG3 ARG 27 1HG ARG 27 -11.449 -10.135 -12.185 230 HD2 ARG 27 2HD ARG 27 -11.316 -12.228 -13.380 231 HD3 ARG 27 1HD ARG 27 -10.001 -11.185 -13.933 232 HE ARG 27 HE ARG 27 -9.262 -12.965 -11.791 233 HH11 ARG 27 1HH1 ARG 27 -9.542 -12.714 -15.285 234 HH12 ARG 27 2HH1 ARG 27 -8.411 -13.998 -15.584 235 HH21 ARG 27 1HH2 ARG 27 -7.818 -14.649 -12.186 236 HH22 ARG 27 2HH2 ARG 27 -7.432 -15.094 -13.817 237 H GLY 28 H GLY 28 -8.826 -6.579 -11.958 238 HA2 GLY 28 2HA GLY 28 -9.772 -4.706 -13.013 239 HA3 GLY 28 1HA GLY 28 -10.914 -5.731 -13.854 240 H GLU 29 H GLU 29 -10.871 -6.503 -10.511 241 HA GLU 29 HA GLU 29 -13.309 -5.032 -9.943 242 HB2 GLU 29 2HB GLU 29 -11.557 -6.818 -8.220 243 HB3 GLU 29 1HB GLU 29 -12.882 -5.891 -7.528 244 HG2 GLU 29 2HG GLU 29 -13.725 -8.066 -7.898 245 HG3 GLU 29 1HG GLU 29 -14.430 -7.042 -9.147 246 H TRP 30 H TRP 30 -12.793 -2.881 -10.179 247 HA TRP 30 HA TRP 30 -10.735 -1.547 -8.642 248 HB2 TRP 30 2HB TRP 30 -13.066 -0.200 -10.072 249 HB3 TRP 30 1HB TRP 30 -11.474 0.471 -9.722 250 HD1 TRP 30 HD1 TRP 30 -13.374 -1.012 -12.510 251 HE1 TRP 30 HE1 TRP 30 -11.833 -1.740 -14.431 252 HE3 TRP 30 HE3 TRP 30 -8.853 -0.770 -10.101 253 HZ2 TRP 30 HZ2 TRP 30 -9.100 -2.149 -14.888 254 HZ3 TRP 30 HZ3 TRP 30 -6.824 -1.354 -11.365 255 HH2 TRP 30 HH2 TRP 30 -6.944 -2.031 -13.710 256 H ASP 31 H ASP 31 -13.851 -2.660 -8.000 257 HA ASP 31 HA ASP 31 -15.101 -0.777 -6.383 258 HB2 ASP 31 2HB ASP 31 -15.203 -3.819 -6.136 259 HB3 ASP 31 1HB ASP 31 -16.388 -2.700 -5.465 260 H LEU 32 H LEU 32 -13.242 -3.629 -5.316 261 HA LEU 32 HA LEU 32 -13.172 -2.820 -2.580 262 HB2 LEU 32 2HB LEU 32 -11.691 -5.030 -4.029 263 HB3 LEU 32 1HB LEU 32 -11.593 -4.768 -2.294 264 HG LEU 32 HG LEU 32 -14.069 -5.590 -3.866 265 HD11 LEU 32 1HD1 LEU 32 -12.452 -7.093 -1.782 266 HD12 LEU 32 2HD1 LEU 32 -12.479 -7.416 -3.516 267 HD13 LEU 32 3HD1 LEU 32 -13.933 -7.667 -2.554 268 HD21 LEU 32 1HD2 LEU 32 -13.838 -5.001 -0.895 269 HD22 LEU 32 2HD2 LEU 32 -15.245 -5.699 -1.702 270 HD23 LEU 32 3HD2 LEU 32 -14.742 -4.055 -2.082 271 H LEU 33 H LEU 33 -11.141 -2.066 -5.306 272 HA LEU 33 HA LEU 33 -8.898 -1.134 -3.813 273 HB2 LEU 33 2HB LEU 33 -9.923 -0.546 -6.582 274 HB3 LEU 33 1HB LEU 33 -8.755 0.566 -5.887 275 HG LEU 33 HG LEU 33 -7.147 -1.309 -5.576 276 HD11 LEU 33 1HD1 LEU 33 -8.677 -3.173 -5.342 277 HD12 LEU 33 2HD1 LEU 33 -7.524 -3.478 -6.638 278 HD13 LEU 33 3HD1 LEU 33 -9.181 -3.007 -7.026 279 HD21 LEU 33 1HD2 LEU 33 -8.135 -1.013 -8.421 280 HD22 LEU 33 2HD2 LEU 33 -6.540 -1.588 -7.929 281 HD23 LEU 33 3HD2 LEU 33 -7.021 0.072 -7.585 282 H LEU 34 H LEU 34 -11.843 0.520 -4.973 283 HA LEU 34 HA LEU 34 -11.291 3.014 -3.688 284 HB2 LEU 34 2HB LEU 34 -13.916 1.867 -4.719 285 HB3 LEU 34 1HB LEU 34 -13.679 3.541 -4.237 286 HG LEU 34 HG LEU 34 -12.304 2.159 -6.580 287 HD11 LEU 34 1HD1 LEU 34 -13.654 3.637 -8.011 288 HD12 LEU 34 2HD1 LEU 34 -14.484 4.272 -6.588 289 HD13 LEU 34 3HD1 LEU 34 -14.667 2.574 -7.034 290 HD21 LEU 34 1HD2 LEU 34 -10.812 3.831 -5.595 291 HD22 LEU 34 2HD2 LEU 34 -12.082 5.052 -5.679 292 HD23 LEU 34 3HD2 LEU 34 -11.404 4.381 -7.164 293 H GLN 35 H GLN 35 -12.742 0.034 -2.569 294 HA GLN 35 HA GLN 35 -14.122 1.194 -0.287 295 HB2 GLN 35 2HB GLN 35 -14.981 -0.857 -1.383 296 HB3 GLN 35 1HB GLN 35 -13.487 -1.704 -1.010 297 HG2 GLN 35 2HG GLN 35 -15.262 -2.400 0.512 298 HG3 GLN 35 1HG GLN 35 -14.001 -1.556 1.406 299 HE21 GLN 35 1HE2 GLN 35 -17.268 -1.325 0.171 300 HE22 GLN 35 2HE2 GLN 35 -17.766 -0.008 1.175 301 H GLN 36 H GLN 36 -11.396 -1.047 -0.683 302 HA GLN 36 HA GLN 36 -10.456 -0.838 2.014 303 HB2 GLN 36 2HB GLN 36 -9.229 -2.119 -0.460 304 HB3 GLN 36 1HB GLN 36 -8.553 -2.264 1.161 305 HG2 GLN 36 2HG GLN 36 -10.448 -3.524 1.942 306 HG3 GLN 36 1HG GLN 36 -11.374 -3.160 0.490 307 HE21 GLN 36 1HE2 GLN 36 -9.317 -3.706 -1.414 308 HE22 GLN 36 2HE2 GLN 36 -9.038 -5.412 -1.395 309 H GLU 37 H GLU 37 -10.033 1.164 -0.710 310 HA GLU 37 HA GLU 37 -7.585 2.291 -0.682 311 HB2 GLU 37 2HB GLU 37 -9.393 3.066 -2.122 312 HB3 GLU 37 1HB GLU 37 -10.276 3.714 -0.749 313 HG2 GLU 37 2HG GLU 37 -8.568 5.444 -0.442 314 HG3 GLU 37 1HG GLU 37 -7.607 4.749 -1.748 315 H VAL 38 H VAL 38 -10.198 3.392 1.515 316 HA VAL 38 HA VAL 38 -8.642 5.187 2.999 317 HB VAL 38 HB VAL 38 -11.115 5.270 2.999 318 HG11 VAL 38 1HG1 VAL 38 -12.474 3.748 4.385 319 HG12 VAL 38 2HG1 VAL 38 -11.041 2.781 4.740 320 HG13 VAL 38 3HG1 VAL 38 -11.650 2.879 3.086 321 HG21 VAL 38 1HG2 VAL 38 -11.458 5.827 5.384 322 HG22 VAL 38 2HG2 VAL 38 -9.903 6.425 4.805 323 HG23 VAL 38 3HG2 VAL 38 -9.966 4.972 5.801 324 H SER 39 H SER 39 -9.204 1.732 3.383 325 HA SER 39 HA SER 39 -8.143 1.513 6.044 326 HB2 SER 39 2HB SER 39 -8.767 -0.648 3.985 327 HB3 SER 39 1HB SER 39 -8.492 -0.907 5.711 328 HG SER 39 HG SER 39 -10.330 0.823 5.782 329 H TYR 40 H TYR 40 -6.819 1.200 2.804 330 HA TYR 40 HA TYR 40 -4.398 -0.174 3.592 331 HB2 TYR 40 2HB TYR 40 -5.361 -0.434 1.290 332 HB3 TYR 40 1HB TYR 40 -5.018 1.263 0.965 333 HD1 TYR 40 HD1 TYR 40 -3.118 1.539 -0.443 334 HD2 TYR 40 HD2 TYR 40 -3.083 -1.651 2.391 335 HE1 TYR 40 HE1 TYR 40 -0.887 0.863 -1.217 336 HE2 TYR 40 HE2 TYR 40 -0.862 -2.313 1.613 337 HH TYR 40 HH TYR 40 1.057 -0.365 -0.407 338 H LEU 41 H LEU 41 -5.344 3.123 2.689 339 HA LEU 41 HA LEU 41 -2.748 4.264 3.111 340 HB2 LEU 41 2HB LEU 41 -5.466 5.617 2.894 341 HB3 LEU 41 1HB LEU 41 -3.914 6.442 2.831 342 HG LEU 41 HG LEU 41 -4.973 4.446 0.781 343 HD11 LEU 41 1HD1 LEU 41 -6.056 6.617 0.588 344 HD12 LEU 41 2HD1 LEU 41 -4.983 6.348 -0.783 345 HD13 LEU 41 3HD1 LEU 41 -4.491 7.430 0.525 346 HD21 LEU 41 1HD2 LEU 41 -2.553 4.155 0.991 347 HD22 LEU 41 2HD2 LEU 41 -2.298 5.889 0.781 348 HD23 LEU 41 3HD2 LEU 41 -2.947 4.924 -0.550 349 H GLN 42 H GLN 42 -5.542 3.647 5.157 350 HA GLN 42 HA GLN 42 -4.729 5.192 7.415 351 HB2 GLN 42 2HB GLN 42 -7.045 4.337 7.163 352 HB3 GLN 42 1HB GLN 42 -6.467 2.684 7.310 353 HG2 GLN 42 2HG GLN 42 -7.491 3.416 9.398 354 HG3 GLN 42 1HG GLN 42 -5.767 3.134 9.637 355 HE21 GLN 42 1HE2 GLN 42 -8.255 5.582 9.375 356 HE22 GLN 42 2HE2 GLN 42 -7.347 6.863 10.089 357 H SER 43 H SER 43 -4.279 1.737 6.520 358 HA SER 43 HA SER 43 -2.843 0.981 8.831 359 HB2 SER 43 2HB SER 43 -2.177 -1.039 7.478 360 HB3 SER 43 1HB SER 43 -3.908 -0.712 7.468 361 HG SER 43 HG SER 43 -2.126 0.102 5.412 362 H ILE 44 H ILE 44 -1.773 2.127 5.661 363 HA ILE 44 HA ILE 44 1.009 2.064 5.949 364 HB ILE 44 HB ILE 44 -0.903 3.777 4.329 365 HG12 ILE 44 2HG1 ILE 44 1.253 1.779 3.506 366 HG13 ILE 44 1HG1 ILE 44 -0.471 1.445 3.599 367 HG21 ILE 44 1HG2 ILE 44 0.974 4.873 3.132 368 HG22 ILE 44 2HG2 ILE 44 2.098 4.207 4.314 369 HG23 ILE 44 3HG2 ILE 44 0.876 5.368 4.826 370 HD11 ILE 44 1HD1 ILE 44 0.867 3.353 1.681 371 HD12 ILE 44 2HD1 ILE 44 -0.869 3.047 1.785 372 HD13 ILE 44 3HD1 ILE 44 0.230 1.750 1.315 373 H GLU 45 H GLU 45 -1.306 4.676 6.714 374 HA GLU 45 HA GLU 45 0.577 6.572 7.588 375 HB2 GLU 45 2HB GLU 45 -1.727 7.133 6.883 376 HB3 GLU 45 1HB GLU 45 -2.370 6.345 8.323 377 HG2 GLU 45 2HG GLU 45 -1.306 7.985 9.765 378 HG3 GLU 45 1HG GLU 45 -0.470 8.714 8.394 379 H THR 46 H THR 46 -1.299 4.129 9.374 380 HA THR 46 HA THR 46 -0.544 5.122 11.964 381 HB THR 46 HB THR 46 -2.750 3.985 11.575 382 HG1 THR 46 HG1 THR 46 -2.603 3.750 13.659 383 HG21 THR 46 1HG2 THR 46 -2.866 1.514 11.597 384 HG22 THR 46 2HG2 THR 46 -1.107 1.425 11.491 385 HG23 THR 46 3HG2 THR 46 -2.036 2.099 10.154 386 H VAL 47 H VAL 47 0.740 2.595 9.789 387 HA VAL 47 HA VAL 47 2.411 1.440 11.852 388 HB VAL 47 HB VAL 47 1.660 0.245 9.644 389 HG11 VAL 47 1HG1 VAL 47 3.278 0.302 7.776 390 HG12 VAL 47 2HG1 VAL 47 4.157 1.609 8.570 391 HG13 VAL 47 3HG1 VAL 47 2.504 1.872 8.012 392 HG21 VAL 47 1HG2 VAL 47 3.094 -0.795 11.343 393 HG22 VAL 47 2HG2 VAL 47 4.521 -0.039 10.629 394 HG23 VAL 47 3HG2 VAL 47 3.619 -1.254 9.720 395 H MET 48 H MET 48 2.797 3.889 9.317 396 HA MET 48 HA MET 48 5.608 4.315 9.745 397 HB2 MET 48 2HB MET 48 4.442 4.828 7.587 398 HB3 MET 48 1HB MET 48 3.575 6.138 8.378 399 HG2 MET 48 2HG MET 48 5.620 7.374 8.705 400 HG3 MET 48 1HG MET 48 6.592 6.008 8.150 401 HE1 MET 48 1HE MET 48 6.822 5.250 5.637 402 HE2 MET 48 2HE MET 48 5.886 5.934 4.308 403 HE3 MET 48 3HE MET 48 5.084 4.947 5.530 404 H GLU 49 H GLU 49 2.651 5.502 11.137 405 HA GLU 49 HA GLU 49 3.831 7.612 12.719 406 HB2 GLU 49 2HB GLU 49 1.423 7.598 11.939 407 HB3 GLU 49 1HB GLU 49 1.117 6.236 13.009 408 HG2 GLU 49 2HG GLU 49 0.314 8.304 14.016 409 HG3 GLU 49 1HG GLU 49 1.651 7.649 14.963 410 H LYS 50 H LYS 50 3.363 4.160 13.023 411 HA LYS 50 HA LYS 50 3.337 3.973 15.862 412 HB2 LYS 50 2HB LYS 50 2.448 2.145 14.454 413 HB3 LYS 50 1HB LYS 50 4.043 1.862 13.778 414 HG2 LYS 50 2HG LYS 50 3.813 0.121 15.333 415 HG3 LYS 50 1HG LYS 50 4.778 1.301 16.212 416 HD2 LYS 50 2HD LYS 50 1.768 0.959 16.528 417 HD3 LYS 50 1HD LYS 50 2.966 0.195 17.565 418 HE2 LYS 50 2HE LYS 50 2.531 3.186 17.278 419 HE3 LYS 50 1HE LYS 50 1.984 2.188 18.621 420 HZ1 LYS 50 1HZ LYS 50 4.237 1.733 19.212 421 HZ2 LYS 50 2HZ LYS 50 4.032 3.406 19.091 422 HZ3 LYS 50 3HZ LYS 50 4.823 2.562 17.860 423 H GLN 51 H GLN 51 5.002 4.968 16.866 424 HA GLN 51 HA GLN 51 7.738 4.876 16.244 425 HB2 GLN 51 2HB GLN 51 6.378 5.182 18.957 426 HB3 GLN 51 1HB GLN 51 8.083 5.506 18.655 427 HG2 GLN 51 2HG GLN 51 7.434 7.303 17.061 428 HG3 GLN 51 1HG GLN 51 5.737 6.990 17.436 429 HE21 GLN 51 1HE2 GLN 51 5.453 9.122 18.201 430 HE22 GLN 51 2HE2 GLN 51 6.111 9.663 19.704 431 H THR 52 H THR 52 9.112 3.252 16.306 432 HA THR 52 HA THR 52 8.356 0.654 17.463 433 HB THR 52 HB THR 52 10.585 1.317 15.476 434 HG1 THR 52 HG1 THR 52 8.174 1.686 14.937 435 HG21 THR 52 1HG2 THR 52 10.488 -1.088 14.898 436 HG22 THR 52 2HG2 THR 52 9.237 -1.346 16.115 437 HG23 THR 52 3HG2 THR 52 10.869 -0.884 16.609 438 HA PRO 53 HA PRO 53 11.523 1.086 20.769 439 HB2 PRO 53 2HB PRO 53 11.705 -1.916 20.367 440 HB3 PRO 53 1HB PRO 53 11.515 -0.991 21.874 441 HG2 PRO 53 2HG PRO 53 9.437 -2.277 20.844 442 HG3 PRO 53 1HG PRO 53 9.225 -0.657 21.550 443 HD2 PRO 53 2HD PRO 53 9.352 -1.451 18.649 444 HD3 PRO 53 1HD PRO 53 8.328 -0.233 19.443 445 HA PRO 54 HA PRO 54 15.349 1.274 18.454 446 HB2 PRO 54 2HB PRO 54 16.807 0.529 20.984 447 HB3 PRO 54 1HB PRO 54 16.969 1.983 19.973 448 HG2 PRO 54 2HG PRO 54 15.737 2.139 22.323 449 HG3 PRO 54 1HG PRO 54 15.094 3.021 20.916 450 HD2 PRO 54 2HD PRO 54 14.145 0.400 22.089 451 HD3 PRO 54 1HD PRO 54 13.193 1.807 21.558 452 H GLY 55 H GLY 55 15.277 -1.447 20.768 453 HA2 GLY 55 2HA GLY 55 17.181 -3.071 19.374 454 HA3 GLY 55 1HA GLY 55 16.178 -3.546 20.730 455 H ILE 56 H ILE 56 16.017 -2.916 17.250 456 HA ILE 56 HA ILE 56 13.723 -4.627 16.815 457 HB ILE 56 HB ILE 56 13.912 -2.685 15.391 458 HG12 ILE 56 2HG1 ILE 56 13.886 -3.663 13.084 459 HG13 ILE 56 1HG1 ILE 56 14.571 -5.151 13.725 460 HG21 ILE 56 1HG2 ILE 56 16.647 -3.616 14.467 461 HG22 ILE 56 2HG2 ILE 56 16.313 -2.238 15.515 462 HG23 ILE 56 3HG2 ILE 56 15.767 -2.220 13.836 463 HD11 ILE 56 1HD1 ILE 56 11.882 -4.006 14.481 464 HD12 ILE 56 2HD1 ILE 56 12.559 -5.547 15.030 465 HD13 ILE 56 3HD1 ILE 56 12.167 -5.307 13.325 466 H THR 57 H THR 57 14.138 -6.745 17.285 467 HA THR 57 HA THR 57 16.731 -7.962 16.799 468 HB THR 57 HB THR 57 15.395 -8.426 18.877 469 HG1 THR 57 HG1 THR 57 15.686 -10.885 18.509 470 HG21 THR 57 1HG2 THR 57 13.542 -10.017 18.826 471 HG22 THR 57 2HG2 THR 57 13.657 -10.147 17.071 472 HG23 THR 57 3HG2 THR 57 13.146 -8.627 17.806 473 H ARG 58 H ARG 58 16.477 -10.426 15.987 474 HA ARG 58 HA ARG 58 16.491 -9.940 13.190 475 HB2 ARG 58 2HB ARG 58 17.038 -12.471 14.796 476 HB3 ARG 58 1HB ARG 58 17.151 -12.420 13.041 477 HG2 ARG 58 2HG ARG 58 19.376 -12.185 13.899 478 HG3 ARG 58 1HG ARG 58 18.893 -10.622 13.248 479 HD2 ARG 58 2HD ARG 58 18.419 -9.825 15.555 480 HD3 ARG 58 1HD ARG 58 18.939 -11.388 16.192 481 HE ARG 58 HE ARG 58 20.992 -10.231 14.613 482 HH11 ARG 58 1HH1 ARG 58 19.442 -9.854 17.760 483 HH12 ARG 58 2HH1 ARG 58 20.845 -9.155 18.501 484 HH21 ARG 58 1HH2 ARG 58 22.830 -9.330 15.618 485 HH22 ARG 58 2HH2 ARG 58 22.759 -8.861 17.290 486 H SER 59 H SER 59 14.359 -11.968 15.241 487 HA SER 59 HA SER 59 12.933 -13.160 13.092 488 HB2 SER 59 2HB SER 59 12.111 -12.841 16.013 489 HB3 SER 59 1HB SER 59 11.327 -13.905 14.843 490 HG SER 59 HG SER 59 13.558 -14.809 14.580 491 H ILE 60 H ILE 60 12.193 -10.338 15.169 492 HA ILE 60 HA ILE 60 9.692 -9.646 14.077 493 HB ILE 60 HB ILE 60 11.789 -7.748 15.239 494 HG12 ILE 60 2HG1 ILE 60 9.434 -9.087 16.657 495 HG13 ILE 60 1HG1 ILE 60 11.118 -9.579 16.821 496 HG21 ILE 60 1HG2 ILE 60 10.077 -6.530 13.944 497 HG22 ILE 60 2HG2 ILE 60 9.884 -6.204 15.667 498 HG23 ILE 60 3HG2 ILE 60 8.793 -7.330 14.856 499 HD11 ILE 60 1HD1 ILE 60 10.402 -8.240 18.706 500 HD12 ILE 60 2HD1 ILE 60 9.981 -6.907 17.633 501 HD13 ILE 60 3HD1 ILE 60 11.665 -7.413 17.797 502 H GLN 61 H GLN 61 12.981 -8.469 13.312 503 HA GLN 61 HA GLN 61 12.268 -6.729 11.222 504 HB2 GLN 61 2HB GLN 61 14.413 -6.584 12.448 505 HB3 GLN 61 1HB GLN 61 14.943 -8.099 11.727 506 HG2 GLN 61 2HG GLN 61 14.955 -7.084 9.502 507 HG3 GLN 61 1HG GLN 61 14.299 -5.580 10.151 508 HE21 GLN 61 1HE2 GLN 61 16.809 -6.105 8.691 509 HE22 GLN 61 2HE2 GLN 61 18.064 -5.500 9.708 510 H ASP 62 H ASP 62 12.948 -10.194 11.238 511 HA ASP 62 HA ASP 62 13.296 -10.533 8.424 512 HB2 ASP 62 2HB ASP 62 14.030 -12.236 10.114 513 HB3 ASP 62 1HB ASP 62 12.346 -12.603 10.466 514 H MET 63 H MET 63 10.518 -11.135 10.597 515 HA MET 63 HA MET 63 8.647 -11.867 8.620 516 HB2 MET 63 2HB MET 63 8.219 -10.749 11.418 517 HB3 MET 63 1HB MET 63 6.901 -11.308 10.397 518 HG2 MET 63 2HG MET 63 7.878 -13.558 10.356 519 HG3 MET 63 1HG MET 63 9.205 -13.006 11.377 520 HE1 MET 63 1HE MET 63 8.926 -12.333 13.975 521 HE2 MET 63 2HE MET 63 7.358 -12.233 14.774 522 HE3 MET 63 3HE MET 63 7.774 -11.079 13.509 523 H VAL 64 H VAL 64 9.209 -8.765 10.236 524 HA VAL 64 HA VAL 64 7.267 -7.204 8.973 525 HB VAL 64 HB VAL 64 9.884 -6.510 10.367 526 HG11 VAL 64 1HG1 VAL 64 9.210 -4.107 10.341 527 HG12 VAL 64 2HG1 VAL 64 7.919 -4.506 9.207 528 HG13 VAL 64 3HG1 VAL 64 9.601 -4.722 8.732 529 HG21 VAL 64 1HG2 VAL 64 8.033 -7.344 11.769 530 HG22 VAL 64 2HG2 VAL 64 6.970 -6.081 11.145 531 HG23 VAL 64 3HG2 VAL 64 8.369 -5.650 12.131 532 H ALA 65 H ALA 65 10.747 -7.611 8.135 533 HA ALA 65 HA ALA 65 10.720 -5.973 5.821 534 HB1 ALA 65 1HB ALA 65 12.819 -6.632 6.922 535 HB2 ALA 65 2HB ALA 65 12.840 -7.051 5.208 536 HB3 ALA 65 3HB ALA 65 12.572 -8.304 6.427 537 H GLY 66 H GLY 66 9.858 -9.344 6.369 538 HA2 GLY 66 2HA GLY 66 9.605 -10.277 3.722 539 HA3 GLY 66 1HA GLY 66 8.676 -10.852 5.104 540 H TYR 67 H TYR 67 7.199 -8.813 5.898 541 HA TYR 67 HA TYR 67 5.058 -8.626 4.064 542 HB2 TYR 67 2HB TYR 67 5.566 -6.880 6.508 543 HB3 TYR 67 1HB TYR 67 4.019 -7.106 5.698 544 HD1 TYR 67 HD1 TYR 67 5.298 -7.759 8.680 545 HD2 TYR 67 HD2 TYR 67 3.864 -10.059 5.365 546 HE1 TYR 67 HE1 TYR 67 4.793 -9.627 10.187 547 HE2 TYR 67 HE2 TYR 67 3.362 -11.921 6.890 548 HH TYR 67 HH TYR 67 4.162 -12.744 9.080 549 H ILE 68 H ILE 68 7.751 -6.520 4.793 550 HA ILE 68 HA ILE 68 6.887 -4.144 3.503 551 HB ILE 68 HB ILE 68 9.625 -5.165 4.370 552 HG12 ILE 68 2HG1 ILE 68 7.912 -2.841 5.367 553 HG13 ILE 68 1HG1 ILE 68 8.071 -4.401 6.158 554 HG21 ILE 68 1HG2 ILE 68 10.613 -2.957 3.811 555 HG22 ILE 68 2HG2 ILE 68 9.111 -2.505 3.006 556 HG23 ILE 68 3HG2 ILE 68 10.076 -3.834 2.374 557 HD11 ILE 68 1HD1 ILE 68 10.262 -2.355 5.805 558 HD12 ILE 68 2HD1 ILE 68 10.445 -3.935 6.574 559 HD13 ILE 68 3HD1 ILE 68 9.381 -2.724 7.289 560 H LYS 69 H LYS 69 9.047 -6.829 2.447 561 HA LYS 69 HA LYS 69 9.587 -5.779 -0.121 562 HB2 LYS 69 2HB LYS 69 9.700 -8.663 0.839 563 HB3 LYS 69 1HB LYS 69 10.311 -8.119 -0.715 564 HG2 LYS 69 2HG LYS 69 11.372 -7.308 2.007 565 HG3 LYS 69 1HG LYS 69 12.114 -8.451 0.894 566 HD2 LYS 69 2HD LYS 69 13.391 -6.568 0.440 567 HD3 LYS 69 1HD LYS 69 12.123 -6.353 -0.762 568 HE2 LYS 69 2HE LYS 69 10.966 -4.789 0.808 569 HE3 LYS 69 1HE LYS 69 12.299 -4.982 1.943 570 HZ1 LYS 69 1HZ LYS 69 12.565 -3.908 -0.813 571 HZ2 LYS 69 2HZ LYS 69 13.789 -4.011 0.347 572 HZ3 LYS 69 3HZ LYS 69 12.483 -2.971 0.592 573 H GLN 70 H GLN 70 7.147 -8.038 1.074 574 HA GLN 70 HA GLN 70 5.856 -8.698 -1.325 575 HB2 GLN 70 2HB GLN 70 4.729 -8.467 1.498 576 HB3 GLN 70 1HB GLN 70 3.834 -9.149 0.142 577 HG2 GLN 70 2HG GLN 70 5.437 -10.970 -0.071 578 HG3 GLN 70 1HG GLN 70 6.464 -10.246 1.170 579 HE21 GLN 70 1HE2 GLN 70 6.344 -12.072 2.499 580 HE22 GLN 70 2HE2 GLN 70 4.909 -12.499 3.358 581 H THR 71 H THR 71 5.034 -6.120 1.060 582 HA THR 71 HA THR 71 2.780 -5.270 -0.403 583 HB THR 71 HB THR 71 3.009 -4.898 2.066 584 HG1 THR 71 HG1 THR 71 2.411 -2.605 0.459 585 HG21 THR 71 1HG2 THR 71 4.729 -2.503 1.295 586 HG22 THR 71 2HG2 THR 71 5.293 -3.918 2.189 587 HG23 THR 71 3HG2 THR 71 4.085 -2.845 2.905 588 H LEU 72 H LEU 72 6.103 -4.005 -0.272 589 HA LEU 72 HA LEU 72 5.682 -1.746 -1.926 590 HB2 LEU 72 2HB LEU 72 8.174 -3.339 -1.243 591 HB3 LEU 72 1HB LEU 72 8.234 -1.934 -2.296 592 HG LEU 72 HG LEU 72 7.337 -1.908 0.617 593 HD11 LEU 72 1HD1 LEU 72 9.751 -2.272 0.408 594 HD12 LEU 72 2HD1 LEU 72 9.418 -0.665 1.047 595 HD13 LEU 72 3HD1 LEU 72 9.898 -0.860 -0.642 596 HD21 LEU 72 1HD2 LEU 72 7.316 0.552 0.385 597 HD22 LEU 72 2HD2 LEU 72 6.140 -0.210 -0.681 598 HD23 LEU 72 3HD2 LEU 72 7.662 0.398 -1.339 599 H ASP 73 H ASP 73 6.500 -5.138 -2.694 600 HA ASP 73 HA ASP 73 6.968 -4.759 -5.482 601 HB2 ASP 73 2HB ASP 73 7.689 -6.814 -4.272 602 HB3 ASP 73 1HB ASP 73 6.008 -7.276 -4.025 603 H ASN 74 H ASN 74 4.080 -5.793 -3.665 604 HA ASN 74 HA ASN 74 2.336 -6.096 -5.873 605 HB2 ASN 74 2HB ASN 74 1.743 -5.704 -2.908 606 HB3 ASN 74 1HB ASN 74 0.492 -6.030 -4.098 607 HD21 ASN 74 1HD2 ASN 74 2.675 -7.437 -1.960 608 HD22 ASN 74 2HD2 ASN 74 2.539 -9.068 -2.505 609 H GLU 75 H GLU 75 3.048 -3.392 -3.721 610 HA GLU 75 HA GLU 75 0.987 -1.638 -4.659 611 HB2 GLU 75 2HB GLU 75 1.962 -1.368 -2.411 612 HB3 GLU 75 1HB GLU 75 3.544 -1.034 -3.106 613 HG2 GLU 75 2HG GLU 75 2.586 1.016 -4.178 614 HG3 GLU 75 1HG GLU 75 1.057 0.689 -3.367 615 H GLN 76 H GLN 76 4.400 -2.185 -5.485 616 HA GLN 76 HA GLN 76 4.804 -0.049 -7.285 617 HB2 GLN 76 2HB GLN 76 6.655 -1.467 -6.488 618 HB3 GLN 76 1HB GLN 76 5.968 -2.869 -7.299 619 HG2 GLN 76 2HG GLN 76 6.312 -1.657 -9.491 620 HG3 GLN 76 1HG GLN 76 7.180 -0.414 -8.595 621 HE21 GLN 76 1HE2 GLN 76 7.339 -3.910 -7.950 622 HE22 GLN 76 2HE2 GLN 76 8.996 -4.081 -8.401 623 H LEU 77 H LEU 77 3.662 -3.365 -7.783 624 HA LEU 77 HA LEU 77 3.133 -3.219 -10.553 625 HB2 LEU 77 2HB LEU 77 2.104 -5.035 -8.350 626 HB3 LEU 77 1HB LEU 77 1.627 -5.247 -10.028 627 HG LEU 77 HG LEU 77 4.513 -5.378 -9.050 628 HD11 LEU 77 1HD1 LEU 77 3.236 -7.237 -8.108 629 HD12 LEU 77 2HD1 LEU 77 4.352 -7.815 -9.343 630 HD13 LEU 77 3HD1 LEU 77 2.630 -7.668 -9.710 631 HD21 LEU 77 1HD2 LEU 77 3.295 -6.092 -11.743 632 HD22 LEU 77 2HD2 LEU 77 4.980 -6.338 -11.272 633 HD23 LEU 77 3HD2 LEU 77 4.335 -4.705 -11.399 634 H LEU 78 H LEU 78 1.028 -2.687 -7.700 635 HA LEU 78 HA LEU 78 -1.379 -1.982 -8.956 636 HB2 LEU 78 2HB LEU 78 -0.098 -1.189 -6.329 637 HB3 LEU 78 1HB LEU 78 -1.574 -0.379 -6.820 638 HG LEU 78 HG LEU 78 -1.353 -3.392 -6.499 639 HD11 LEU 78 1HD1 LEU 78 -2.516 -3.143 -4.368 640 HD12 LEU 78 2HD1 LEU 78 -2.506 -1.383 -4.533 641 HD13 LEU 78 3HD1 LEU 78 -0.987 -2.261 -4.330 642 HD21 LEU 78 1HD2 LEU 78 -3.749 -1.554 -6.851 643 HD22 LEU 78 2HD2 LEU 78 -3.822 -3.290 -6.552 644 HD23 LEU 78 3HD2 LEU 78 -3.113 -2.690 -8.044 645 H LYS 79 H LYS 79 1.450 -0.061 -8.190 646 HA LYS 79 HA LYS 79 0.406 2.504 -8.631 647 HB2 LYS 79 2HB LYS 79 2.468 1.865 -7.322 648 HB3 LYS 79 1HB LYS 79 3.291 1.563 -8.848 649 HG2 LYS 79 2HG LYS 79 2.982 3.974 -9.438 650 HG3 LYS 79 1HG LYS 79 2.265 4.239 -7.839 651 HD2 LYS 79 2HD LYS 79 4.371 3.422 -6.782 652 HD3 LYS 79 1HD LYS 79 5.070 3.194 -8.385 653 HE2 LYS 79 2HE LYS 79 4.814 5.654 -8.773 654 HE3 LYS 79 1HE LYS 79 4.284 5.816 -7.095 655 HZ1 LYS 79 1HZ LYS 79 6.408 4.802 -6.416 656 HZ2 LYS 79 2HZ LYS 79 6.622 6.261 -7.250 657 HZ3 LYS 79 3HZ LYS 79 6.916 4.805 -8.031 658 H GLY 80 H GLY 80 2.458 0.412 -10.693 659 HA2 GLY 80 2HA GLY 80 2.481 2.109 -12.984 660 HA3 GLY 80 1HA GLY 80 2.950 0.417 -12.938 661 H LEU 81 H LEU 81 0.496 -0.685 -12.057 662 HA LEU 81 HA LEU 81 -0.879 -1.158 -14.452 663 HB2 LEU 81 2HB LEU 81 -0.804 -2.668 -12.478 664 HB3 LEU 81 1HB LEU 81 -1.806 -1.563 -11.572 665 HG LEU 81 HG LEU 81 -2.865 -2.899 -14.102 666 HD11 LEU 81 1HD1 LEU 81 -2.949 -4.087 -11.304 667 HD12 LEU 81 2HD1 LEU 81 -2.063 -4.729 -12.689 668 HD13 LEU 81 3HD1 LEU 81 -3.825 -4.701 -12.714 669 HD21 LEU 81 1HD2 LEU 81 -4.279 -1.845 -11.625 670 HD22 LEU 81 2HD2 LEU 81 -5.067 -2.600 -13.015 671 HD23 LEU 81 3HD2 LEU 81 -4.226 -1.061 -13.202 672 H LEU 82 H LEU 82 -1.989 0.571 -11.572 673 HA LEU 82 HA LEU 82 -4.347 1.657 -12.621 674 HB2 LEU 82 2HB LEU 82 -2.628 2.405 -10.235 675 HB3 LEU 82 1HB LEU 82 -4.174 3.173 -10.558 676 HG LEU 82 HG LEU 82 -3.995 0.152 -10.265 677 HD11 LEU 82 1HD1 LEU 82 -2.977 1.097 -8.238 678 HD12 LEU 82 2HD1 LEU 82 -4.533 0.347 -7.892 679 HD13 LEU 82 3HD1 LEU 82 -4.400 2.108 -7.983 680 HD21 LEU 82 1HD2 LEU 82 -6.057 1.078 -11.210 681 HD22 LEU 82 2HD2 LEU 82 -6.241 2.132 -9.802 682 HD23 LEU 82 3HD2 LEU 82 -6.339 0.381 -9.614 683 H GLN 83 H GLN 83 -1.025 2.920 -12.512 684 HA GLN 83 HA GLN 83 -1.545 5.585 -13.260 685 HB2 GLN 83 2HB GLN 83 0.640 4.881 -12.418 686 HB3 GLN 83 1HB GLN 83 0.878 3.836 -13.814 687 HG2 GLN 83 2HG GLN 83 0.889 5.880 -15.271 688 HG3 GLN 83 1HG GLN 83 0.802 6.869 -13.811 689 HE21 GLN 83 1HE2 GLN 83 2.738 4.544 -15.573 690 HE22 GLN 83 2HE2 GLN 83 4.256 4.959 -14.848 691 H GLN 84 H GLN 84 -0.777 2.724 -15.292 692 HA GLN 84 HA GLN 84 -1.050 4.187 -17.767 693 HB2 GLN 84 2HB GLN 84 -0.902 1.176 -17.336 694 HB3 GLN 84 1HB GLN 84 -0.736 2.006 -18.880 695 HG2 GLN 84 2HG GLN 84 1.164 2.116 -16.525 696 HG3 GLN 84 1HG GLN 84 1.459 1.396 -18.107 697 HE21 GLN 84 1HE2 GLN 84 1.908 2.791 -19.875 698 HE22 GLN 84 2HE2 GLN 84 2.350 4.445 -19.647 699 H ARG 85 H ARG 85 -3.207 2.381 -15.718 700 HA ARG 85 HA ARG 85 -5.331 2.059 -17.624 701 HB2 ARG 85 2HB ARG 85 -5.292 1.921 -14.584 702 HB3 ARG 85 1HB ARG 85 -6.778 1.734 -15.503 703 HG2 ARG 85 2HG ARG 85 -4.359 -0.054 -15.884 704 HG3 ARG 85 1HG ARG 85 -5.665 -0.411 -14.755 705 HD2 ARG 85 2HD ARG 85 -6.044 -1.669 -16.778 706 HD3 ARG 85 1HD ARG 85 -7.268 -0.412 -16.682 707 HE ARG 85 HE ARG 85 -6.483 0.462 -18.647 708 HH11 ARG 85 1HH1 ARG 85 -3.974 -1.695 -17.418 709 HH12 ARG 85 2HH1 ARG 85 -3.011 -1.571 -18.858 710 HH21 ARG 85 1HH2 ARG 85 -5.198 0.586 -20.504 711 HH22 ARG 85 2HH2 ARG 85 -3.704 -0.284 -20.592 712 H LEU 86 H LEU 86 -4.598 4.464 -15.087 713 HA LEU 86 HA LEU 86 -6.903 6.090 -15.493 714 HB2 LEU 86 2HB LEU 86 -4.217 6.693 -14.191 715 HB3 LEU 86 1HB LEU 86 -5.529 7.863 -14.246 716 HG LEU 86 HG LEU 86 -5.715 5.151 -12.880 717 HD11 LEU 86 1HD1 LEU 86 -5.324 7.876 -11.603 718 HD12 LEU 86 2HD1 LEU 86 -4.081 6.633 -11.776 719 HD13 LEU 86 3HD1 LEU 86 -5.488 6.326 -10.771 720 HD21 LEU 86 1HD2 LEU 86 -7.902 5.959 -13.628 721 HD22 LEU 86 2HD2 LEU 86 -7.633 7.510 -12.828 722 HD23 LEU 86 3HD2 LEU 86 -7.781 6.034 -11.870 723 H ASP 87 H ASP 87 -3.616 6.128 -16.763 724 HA ASP 87 HA ASP 87 -3.658 8.539 -18.211 725 HB2 ASP 87 2HB ASP 87 -1.582 7.248 -17.707 726 HB3 ASP 87 1HB ASP 87 -2.104 5.962 -18.784 727 H GLU 88 H GLU 88 -4.303 5.178 -19.250 728 HA GLU 88 HA GLU 88 -5.168 5.618 -21.863 729 HB2 GLU 88 2HB GLU 88 -4.665 3.391 -21.015 730 HB3 GLU 88 1HB GLU 88 -5.987 3.490 -19.852 731 HG2 GLU 88 2HG GLU 88 -7.591 3.625 -21.798 732 HG3 GLU 88 1HG GLU 88 -6.228 3.333 -22.879 733 H LEU 89 H LEU 89 -7.186 5.224 -18.939 734 HA LEU 89 HA LEU 89 -9.699 5.654 -20.010 735 HB2 LEU 89 2HB LEU 89 -8.656 6.140 -17.195 736 HB3 LEU 89 1HB LEU 89 -10.352 6.340 -17.606 737 HG LEU 89 HG LEU 89 -8.807 3.721 -17.837 738 HD11 LEU 89 1HD1 LEU 89 -10.842 4.558 -15.737 739 HD12 LEU 89 2HD1 LEU 89 -9.103 4.378 -15.487 740 HD13 LEU 89 3HD1 LEU 89 -10.083 2.967 -15.877 741 HD21 LEU 89 1HD2 LEU 89 -11.776 4.257 -18.193 742 HD22 LEU 89 2HD2 LEU 89 -10.990 2.676 -18.236 743 HD23 LEU 89 3HD2 LEU 89 -10.628 3.869 -19.480 744 H SER 90 H SER 90 -7.440 8.053 -18.641 745 HA SER 90 HA SER 90 -9.234 10.270 -18.916 746 HB2 SER 90 2HB SER 90 -7.294 11.694 -18.357 747 HB3 SER 90 1HB SER 90 -7.400 10.319 -17.255 748 HG SER 90 HG SER 90 -5.804 9.297 -18.607 749 H SER 91 H SER 91 -6.909 8.716 -21.063 750 HA SER 91 HA SER 91 -7.001 10.741 -23.108 751 HB2 SER 91 2HB SER 91 -5.139 9.071 -22.884 752 HB3 SER 91 1HB SER 91 -6.249 7.799 -23.389 753 HG SER 91 HG SER 91 -6.561 9.270 -25.315 754 H LEU 92 H LEU 92 -8.924 7.837 -22.364 755 HA LEU 92 HA LEU 92 -10.328 7.692 -24.870 756 HB2 LEU 92 2HB LEU 92 -11.211 6.517 -22.193 757 HB3 LEU 92 1HB LEU 92 -11.798 6.052 -23.780 758 HG LEU 92 HG LEU 92 -9.062 5.494 -22.599 759 HD11 LEU 92 1HD1 LEU 92 -10.780 3.991 -21.791 760 HD12 LEU 92 2HD1 LEU 92 -9.665 3.129 -22.847 761 HD13 LEU 92 3HD1 LEU 92 -11.261 3.594 -23.443 762 HD21 LEU 92 1HD2 LEU 92 -9.960 4.923 -25.436 763 HD22 LEU 92 2HD2 LEU 92 -8.477 4.329 -24.684 764 HD23 LEU 92 3HD2 LEU 92 -8.703 6.057 -24.928 765 H ILE 93 H ILE 93 -10.973 9.027 -21.713 766 HA ILE 93 HA ILE 93 -13.680 9.905 -22.296 767 HB ILE 93 HB ILE 93 -11.937 10.120 -19.784 768 HG12 ILE 93 2HG1 ILE 93 -14.303 8.262 -20.346 769 HG13 ILE 93 1HG1 ILE 93 -12.625 7.791 -20.562 770 HG21 ILE 93 1HG2 ILE 93 -13.607 11.934 -19.770 771 HG22 ILE 93 2HG2 ILE 93 -14.007 10.722 -18.550 772 HG23 ILE 93 3HG2 ILE 93 -14.899 10.770 -20.073 773 HD11 ILE 93 1HD1 ILE 93 -13.472 6.916 -18.507 774 HD12 ILE 93 2HD1 ILE 93 -13.957 8.521 -17.966 775 HD13 ILE 93 3HD1 ILE 93 -12.245 8.132 -18.159 776 H GLY 94 H GLY 94 -10.482 11.365 -21.583 777 HA2 GLY 94 2HA GLY 94 -11.415 13.955 -22.753 778 HA3 GLY 94 1HA GLY 94 -10.196 13.826 -21.487 779 H GLN 95 H GLN 95 -8.123 13.868 -22.158 780 HA GLN 95 HA GLN 95 -7.088 12.351 -24.324 781 HB2 GLN 95 2HB GLN 95 -7.948 14.149 -25.743 782 HB3 GLN 95 1HB GLN 95 -7.232 15.379 -24.712 783 HG2 GLN 95 2HG GLN 95 -5.961 15.154 -26.783 784 HG3 GLN 95 1HG GLN 95 -4.976 14.665 -25.407 785 HE21 GLN 95 1HE2 GLN 95 -3.572 13.440 -26.671 786 HE22 GLN 95 2HE2 GLN 95 -4.034 11.952 -27.417 787 H VAL 96 H VAL 96 -4.952 11.965 -23.953 788 HA VAL 96 HA VAL 96 -3.555 13.401 -21.793 789 HB VAL 96 HB VAL 96 -3.012 10.726 -23.160 790 HG11 VAL 96 1HG1 VAL 96 -0.810 11.747 -22.810 791 HG12 VAL 96 2HG1 VAL 96 -1.046 10.442 -21.646 792 HG13 VAL 96 3HG1 VAL 96 -1.219 12.122 -21.135 793 HG21 VAL 96 1HG2 VAL 96 -4.752 10.712 -21.427 794 HG22 VAL 96 2HG2 VAL 96 -3.638 11.453 -20.276 795 HG23 VAL 96 3HG2 VAL 96 -3.332 9.820 -20.873 796 H LEU 97 H LEU 97 -1.984 14.790 -22.208 797 HA LEU 97 HA LEU 97 -1.160 15.393 -24.953 798 HB2 LEU 97 2HB LEU 97 -0.697 16.842 -22.305 799 HB3 LEU 97 1HB LEU 97 -0.088 17.405 -23.849 800 HG LEU 97 HG LEU 97 -2.539 17.555 -24.624 801 HD11 LEU 97 1HD1 LEU 97 -3.600 16.158 -22.927 802 HD12 LEU 97 2HD1 LEU 97 -4.284 17.782 -22.916 803 HD13 LEU 97 3HD1 LEU 97 -3.136 17.300 -21.664 804 HD21 LEU 97 1HD2 LEU 97 -1.189 19.531 -24.072 805 HD22 LEU 97 2HD2 LEU 97 -1.673 19.402 -22.379 806 HD23 LEU 97 3HD2 LEU 97 -2.878 19.759 -23.619 807 H PHE 98 H PHE 98 1.403 16.469 -24.414 808 HA PHE 98 HA PHE 98 3.258 14.414 -24.354 809 HB2 PHE 98 2HB PHE 98 4.958 16.158 -23.823 810 HB3 PHE 98 1HB PHE 98 3.853 16.679 -25.084 811 HD1 PHE 98 HD1 PHE 98 5.157 17.422 -21.756 812 HD2 PHE 98 HD2 PHE 98 2.035 18.367 -24.529 813 HE1 PHE 98 HE1 PHE 98 4.653 19.475 -20.497 814 HE2 PHE 98 HE2 PHE 98 1.540 20.415 -23.261 815 HZ PHE 98 HZ PHE 98 2.846 20.972 -21.247 816 H GLN 99 H GLN 99 1.769 16.127 -21.688 817 HA GLN 99 HA GLN 99 2.931 14.250 -19.716 818 HB2 GLN 99 2HB GLN 99 3.670 16.621 -19.404 819 HB3 GLN 99 1HB GLN 99 1.989 17.128 -19.283 820 HG2 GLN 99 2HG GLN 99 1.728 15.835 -17.206 821 HG3 GLN 99 1HG GLN 99 3.388 15.251 -17.342 822 HE21 GLN 99 1HE2 GLN 99 5.103 16.674 -16.857 823 HE22 GLN 99 2HE2 GLN 99 4.852 18.177 -16.042 824 H GLY 100 H GLY 100 1.438 13.176 -18.419 825 HA2 GLY 100 2HA GLY 100 -1.285 13.070 -19.505 826 HA3 GLY 100 1HA GLY 100 -0.511 11.865 -18.499 827 HA PRO 101 HA PRO 101 -3.434 13.557 -15.447 828 HB2 PRO 101 2HB PRO 101 -2.167 11.591 -13.570 829 HB3 PRO 101 1HB PRO 101 -3.863 11.727 -14.079 830 HG2 PRO 101 2HG PRO 101 -2.325 9.715 -14.960 831 HG3 PRO 101 1HG PRO 101 -3.532 10.477 -16.024 832 HD2 PRO 101 2HD PRO 101 -0.545 10.930 -15.932 833 HD3 PRO 101 1HD PRO 101 -1.608 10.720 -17.343 834 H SER 102 H SER 102 -2.172 15.519 -15.540 835 HA SER 102 HA SER 102 -1.070 16.247 -12.928 836 HB2 SER 102 2HB SER 102 0.380 16.887 -15.544 837 HB3 SER 102 1HB SER 102 0.850 17.457 -13.940 838 HG SER 102 HG SER 102 0.762 14.745 -14.790 839 H ALA 103 H ALA 103 -3.443 16.619 -14.849 840 HA ALA 103 HA ALA 103 -3.993 19.412 -14.346 841 HB1 ALA 103 1HB ALA 103 -2.712 19.592 -16.459 842 HB2 ALA 103 2HB ALA 103 -4.407 20.006 -16.722 843 HB3 ALA 103 3HB ALA 103 -3.793 18.429 -17.227 844 H GLY 104 H GLY 104 -6.273 19.928 -15.210 845 HA2 GLY 104 2HA GLY 104 -8.113 17.831 -14.469 846 HA3 GLY 104 1HA GLY 104 -8.522 19.448 -15.019 847 H LEU 105 H LEU 105 -7.602 16.218 -16.076 848 HA LEU 105 HA LEU 105 -8.055 16.692 -18.897 849 HB2 LEU 105 2HB LEU 105 -7.685 14.066 -17.399 850 HB3 LEU 105 1HB LEU 105 -7.598 14.276 -19.143 851 HG LEU 105 HG LEU 105 -5.649 15.454 -17.115 852 HD11 LEU 105 1HD1 LEU 105 -5.243 13.192 -19.096 853 HD12 LEU 105 2HD1 LEU 105 -5.406 13.032 -17.346 854 HD13 LEU 105 3HD1 LEU 105 -4.015 13.875 -18.022 855 HD21 LEU 105 1HD2 LEU 105 -5.866 16.958 -19.033 856 HD22 LEU 105 2HD2 LEU 105 -5.568 15.623 -20.149 857 HD23 LEU 105 3HD2 LEU 105 -4.294 16.159 -19.051 858 H VAL 106 H VAL 106 -9.963 15.728 -16.203 859 HA VAL 106 HA VAL 106 -12.368 15.843 -17.860 860 HB VAL 106 HB VAL 106 -12.075 13.444 -17.692 861 HG11 VAL 106 1HG1 VAL 106 -11.792 13.708 -14.682 862 HG12 VAL 106 2HG1 VAL 106 -10.505 13.297 -15.819 863 HG13 VAL 106 3HG1 VAL 106 -11.862 12.189 -15.582 864 HG21 VAL 106 1HG2 VAL 106 -14.150 12.737 -16.551 865 HG22 VAL 106 2HG2 VAL 106 -14.396 14.239 -17.444 866 HG23 VAL 106 3HG2 VAL 106 -14.211 14.279 -15.691 867 HA PRO 107 HA PRO 107 -12.605 18.458 -14.030 868 HB2 PRO 107 2HB PRO 107 -12.599 20.913 -15.149 869 HB3 PRO 107 1HB PRO 107 -11.113 19.943 -15.067 870 HG2 PRO 107 2HG PRO 107 -12.854 20.510 -17.416 871 HG3 PRO 107 1HG PRO 107 -11.097 20.253 -17.346 872 HD2 PRO 107 2HD PRO 107 -13.096 18.304 -18.025 873 HD3 PRO 107 1HD PRO 107 -11.357 18.022 -17.803 874 H ARG 108 H ARG 108 -14.516 18.681 -13.052 875 HA ARG 108 HA ARG 108 -16.886 19.765 -14.449 876 HB2 ARG 108 2HB ARG 108 -16.827 17.273 -12.678 877 HB3 ARG 108 1HB ARG 108 -18.310 18.098 -13.142 878 HG2 ARG 108 2HG ARG 108 -17.754 17.631 -15.546 879 HG3 ARG 108 1HG ARG 108 -16.366 16.690 -14.998 880 HD2 ARG 108 2HD ARG 108 -17.805 15.070 -13.914 881 HD3 ARG 108 1HD ARG 108 -19.231 16.081 -14.179 882 HE ARG 108 HE ARG 108 -17.719 15.073 -16.491 883 HH11 ARG 108 1HH1 ARG 108 -20.687 14.936 -14.595 884 HH12 ARG 108 2HH1 ARG 108 -21.570 14.110 -15.836 885 HH21 ARG 108 1HH2 ARG 108 -18.911 14.106 -18.121 886 HH22 ARG 108 2HH2 ARG 108 -20.559 13.643 -17.837 887 H GLY 109 H GLY 109 -15.198 19.103 -11.413 888 HA2 GLY 109 2HA GLY 109 -15.156 20.440 -9.472 889 HA3 GLY 109 1HA GLY 109 -16.620 21.268 -9.994 890 H SER 110 H SER 110 -17.383 18.262 -10.669 891 HA SER 110 HA SER 110 -17.872 16.851 -8.307 892 HB2 SER 110 2HB SER 110 -19.434 18.773 -7.804 893 HB3 SER 110 1HB SER 110 -20.313 18.429 -9.291 894 HG SER 110 HG SER 110 -20.184 16.957 -6.898 895 H GLY 111 H GLY 111 -17.544 14.941 -9.418 896 HA2 GLY 111 2HA GLY 111 -19.528 13.998 -11.308 897 HA3 GLY 111 1HA GLY 111 -17.955 14.300 -12.038 898 H GLY 112 H GLY 112 -19.249 11.771 -11.936 899 HA2 GLY 112 2HA GLY 112 -18.245 10.111 -9.815 900 HA3 GLY 112 1HA GLY 112 -19.003 9.569 -11.301 901 H ILE 113 H ILE 113 -17.364 10.442 -13.266 902 HA ILE 113 HA ILE 113 -15.101 8.715 -13.234 903 HB ILE 113 HB ILE 113 -15.826 10.988 -15.140 904 HG12 ILE 113 2HG1 ILE 113 -16.172 7.964 -15.390 905 HG13 ILE 113 1HG1 ILE 113 -17.462 9.133 -15.127 906 HG21 ILE 113 1HG2 ILE 113 -13.668 8.875 -15.493 907 HG22 ILE 113 2HG2 ILE 113 -13.402 10.603 -15.257 908 HG23 ILE 113 3HG2 ILE 113 -14.183 10.026 -16.729 909 HD11 ILE 113 1HD1 ILE 113 -17.399 8.369 -17.423 910 HD12 ILE 113 2HD1 ILE 113 -15.735 8.932 -17.590 911 HD13 ILE 113 3HD1 ILE 113 -17.041 10.093 -17.328 912 H GLU 114 H GLU 114 -15.466 12.245 -12.966 913 HA GLU 114 HA GLU 114 -12.785 12.989 -12.670 914 HB2 GLU 114 2HB GLU 114 -14.492 14.674 -13.020 915 HB3 GLU 114 1HB GLU 114 -15.322 14.224 -11.529 916 HG2 GLU 114 2HG GLU 114 -13.376 15.012 -10.215 917 HG3 GLU 114 1HG GLU 114 -12.556 15.470 -11.705 918 H GLY 115 H GLY 115 -15.181 11.901 -10.292 919 HA2 GLY 115 2HA GLY 115 -13.623 12.200 -7.946 920 HA3 GLY 115 1HA GLY 115 -15.014 11.143 -8.137 921 H MET1001 H MET 1 -14.095 9.456 -10.166 922 HA MET1001 HA MET 1 -12.651 7.457 -8.830 923 HB2 MET1001 2HB MET 1 -14.108 7.037 -10.811 924 HB3 MET1001 1HB MET 1 -12.968 7.889 -11.839 925 HG2 MET1001 2HG MET 1 -11.262 6.068 -11.008 926 HG3 MET1001 1HG MET 1 -12.715 5.164 -10.587 927 HE1 MET1001 1HE MET 1 -14.620 6.361 -13.088 928 HE2 MET1001 2HE MET 1 -14.686 4.682 -12.541 929 HE3 MET1001 3HE MET 1 -14.412 5.045 -14.245 930 H THR1002 H THR 2 -11.594 9.804 -11.286 931 HA THR1002 HA THR 2 -8.920 8.884 -11.492 932 HB THR1002 HB THR 2 -8.529 11.070 -12.731 933 HG1 THR1002 HG1 THR 2 -11.312 11.506 -12.645 934 HG21 THR1002 1HG2 THR 2 -9.953 10.500 -14.667 935 HG22 THR1002 2HG2 THR 2 -10.947 9.456 -13.649 936 HG23 THR1002 3HG2 THR 2 -9.253 9.045 -13.952 937 H THR1003 H THR 3 -10.391 11.659 -9.762 938 HA THR1003 HA THR 3 -8.025 12.731 -8.684 939 HB THR1003 HB THR 3 -10.890 12.902 -7.650 940 HG1 THR1003 HG1 THR 3 -10.798 13.939 -9.561 941 HG21 THR1003 1HG2 THR 3 -9.355 13.487 -5.795 942 HG22 THR1003 2HG2 THR 3 -10.170 14.930 -6.404 943 HG23 THR1003 3HG2 THR 3 -8.494 14.608 -6.852 944 H ARG1004 H ARG 4 -10.291 10.299 -7.372 945 HA ARG1004 HA ARG 4 -9.125 9.839 -4.867 946 HB2 ARG1004 2HB ARG 4 -10.710 8.017 -6.709 947 HB3 ARG1004 1HB ARG 4 -10.033 7.391 -5.213 948 HG2 ARG1004 2HG ARG 4 -11.336 9.119 -3.958 949 HG3 ARG1004 1HG ARG 4 -12.099 9.591 -5.479 950 HD2 ARG1004 2HD ARG 4 -13.013 7.313 -5.736 951 HD3 ARG1004 1HD ARG 4 -12.220 6.810 -4.241 952 HE ARG1004 HE ARG 4 -14.518 8.641 -4.487 953 HH11 ARG1004 1HH1 ARG 4 -12.440 6.693 -2.409 954 HH12 ARG1004 2HH1 ARG 4 -13.494 6.850 -1.034 955 HH21 ARG1004 1HH2 ARG 4 -15.853 8.851 -2.678 956 HH22 ARG1004 2HH2 ARG 4 -15.421 8.071 -1.186 957 H LEU1005 H LEU 5 -8.563 8.164 -7.972 958 HA LEU1005 HA LEU 5 -6.634 6.395 -6.815 959 HB2 LEU1005 2HB LEU 5 -7.571 6.764 -9.677 960 HB3 LEU1005 1HB LEU 5 -6.348 5.590 -9.215 961 HG LEU1005 HG LEU 5 -9.254 5.599 -8.306 962 HD11 LEU1005 1HD1 LEU 5 -7.734 3.695 -10.121 963 HD12 LEU1005 2HD1 LEU 5 -8.980 4.848 -10.609 964 HD13 LEU1005 3HD1 LEU 5 -9.405 3.483 -9.579 965 HD21 LEU1005 1HD2 LEU 5 -7.851 4.810 -6.458 966 HD22 LEU1005 2HD2 LEU 5 -7.036 3.666 -7.525 967 HD23 LEU1005 3HD2 LEU 5 -8.751 3.463 -7.157 968 H THR1006 H THR 6 -6.324 9.479 -8.505 969 HA THR1006 HA THR 6 -3.475 9.179 -8.977 970 HB THR1006 HB THR 6 -3.526 11.694 -9.372 971 HG1 THR1006 HG1 THR 6 -6.237 11.860 -9.574 972 HG21 THR1006 1HG2 THR 6 -3.837 10.112 -11.264 973 HG22 THR1006 2HG2 THR 6 -4.793 11.577 -11.491 974 HG23 THR1006 3HG2 THR 6 -5.578 10.089 -10.961 975 H ARG1007 H ARG 7 -5.519 10.750 -6.499 976 HA ARG1007 HA ARG 7 -3.470 11.669 -4.772 977 HB2 ARG1007 2HB ARG 7 -5.854 12.362 -4.553 978 HB3 ARG1007 1HB ARG 7 -6.284 10.729 -4.059 979 HG2 ARG1007 2HG ARG 7 -6.177 12.203 -2.107 980 HG3 ARG1007 1HG ARG 7 -4.904 10.983 -2.009 981 HD2 ARG1007 2HD ARG 7 -3.283 12.674 -2.903 982 HD3 ARG1007 1HD ARG 7 -4.575 13.880 -2.869 983 HE ARG1007 HE ARG 7 -4.212 12.630 -0.323 984 HH11 ARG1007 1HH1 ARG 7 -2.867 15.135 -2.415 985 HH12 ARG1007 2HH1 ARG 7 -2.177 16.023 -1.096 986 HH21 ARG1007 1HH2 ARG 7 -3.283 13.794 1.375 987 HH22 ARG1007 2HH2 ARG 7 -2.415 15.264 1.050 988 H TRP1008 H TRP 8 -5.029 8.593 -5.187 989 HA TRP1008 HA TRP 8 -3.984 7.140 -3.004 990 HB2 TRP1008 2HB TRP 8 -5.895 6.233 -4.022 991 HB3 TRP1008 1HB TRP 8 -5.303 6.521 -5.639 992 HD1 TRP1008 HD1 TRP 8 -3.869 4.611 -6.792 993 HE1 TRP1008 HE1 TRP 8 -3.577 2.134 -6.244 994 HE3 TRP1008 HE3 TRP 8 -5.670 4.582 -2.013 995 HZ2 TRP1008 HZ2 TRP 8 -4.091 0.373 -4.173 996 HZ3 TRP1008 HZ3 TRP 8 -5.748 2.440 -0.814 997 HH2 TRP1008 HH2 TRP 8 -4.967 0.382 -1.866 998 H LEU1009 H LEU 9 -2.929 7.396 -6.456 999 HA LEU1009 HA LEU 9 -0.700 5.663 -6.226 1000 HB2 LEU1009 2HB LEU 9 -1.272 7.853 -8.261 1001 HB3 LEU1009 1HB LEU 9 0.075 6.734 -8.399 1002 HG LEU1009 HG LEU 9 -2.868 5.967 -8.465 1003 HD11 LEU1009 1HD1 LEU 9 -0.837 5.994 -10.713 1004 HD12 LEU1009 2HD1 LEU 9 -2.178 7.123 -10.501 1005 HD13 LEU1009 3HD1 LEU 9 -2.510 5.422 -10.818 1006 HD21 LEU1009 1HD2 LEU 9 -1.548 4.189 -7.440 1007 HD22 LEU1009 2HD2 LEU 9 -0.449 4.188 -8.823 1008 HD23 LEU1009 3HD2 LEU 9 -2.139 3.716 -9.033 1009 H THR1010 H THR 10 -0.983 9.167 -5.718 1010 HA THR1010 HA THR 10 1.873 9.541 -5.436 1011 HB THR1010 HB THR 10 0.411 11.400 -6.245 1012 HG1 THR1010 HG1 THR 10 2.423 11.912 -5.373 1013 HG21 THR1010 1HG2 THR 10 -1.523 11.115 -4.737 1014 HG22 THR1010 2HG2 THR 10 -0.879 12.754 -4.656 1015 HG23 THR1010 3HG2 THR 10 -0.526 11.603 -3.364 1016 H ALA1011 H ALA 11 -0.847 8.888 -3.240 1017 HA ALA1011 HA ALA 11 0.614 9.165 -0.786 1018 HB1 ALA1011 1HB ALA 11 -1.857 7.489 -1.369 1019 HB2 ALA1011 2HB ALA 11 -1.855 9.176 -0.857 1020 HB3 ALA1011 3HB ALA 11 -1.253 7.928 0.236 1021 H LEU1012 H LEU 12 0.158 6.543 -3.109 1022 HA LEU1012 HA LEU 12 1.422 4.444 -1.670 1023 HB2 LEU1012 2HB LEU 12 1.212 4.805 -4.697 1024 HB3 LEU1012 1HB LEU 12 1.707 3.332 -3.881 1025 HG LEU1012 HG LEU 12 -1.061 4.547 -4.024 1026 HD11 LEU1012 1HD1 LEU 12 -1.690 2.354 -4.929 1027 HD12 LEU1012 2HD1 LEU 12 -0.018 1.808 -4.787 1028 HD13 LEU1012 3HD1 LEU 12 -0.427 3.122 -5.891 1029 HD21 LEU1012 1HD2 LEU 12 -1.865 2.794 -2.482 1030 HD22 LEU1012 2HD2 LEU 12 -0.794 3.948 -1.693 1031 HD23 LEU1012 3HD2 LEU 12 -0.193 2.344 -2.131 1032 H ASP1013 H ASP 13 2.512 6.828 -4.037 1033 HA ASP1013 HA ASP 13 5.224 6.092 -4.239 1034 HB2 ASP1013 2HB ASP 13 4.065 7.575 -5.878 1035 HB3 ASP1013 1HB ASP 13 3.936 8.839 -4.659 1036 H ASN1014 H ASN 14 3.473 8.174 -1.985 1037 HA ASN1014 HA ASN 14 5.712 9.365 -0.688 1038 HB2 ASN1014 2HB ASN 14 3.388 10.315 -0.594 1039 HB3 ASN1014 1HB ASN 14 2.892 8.959 0.417 1040 HD21 ASN1014 1HD2 ASN 14 2.385 10.202 2.200 1041 HD22 ASN1014 2HD2 ASN 14 3.558 11.052 3.140 1042 H PHE1015 H PHE 15 3.648 6.546 0.067 1043 HA PHE1015 HA PHE 15 4.913 5.732 2.451 1044 HB2 PHE1015 2HB PHE 15 2.758 4.823 1.964 1045 HB3 PHE1015 1HB PHE 15 3.257 4.246 0.379 1046 HD1 PHE1015 HD1 PHE 15 3.777 1.996 0.151 1047 HD2 PHE1015 HD2 PHE 15 4.048 3.703 4.038 1048 HE1 PHE1015 HE1 PHE 15 4.233 -0.221 1.066 1049 HE2 PHE1015 HE2 PHE 15 4.516 1.469 4.974 1050 HZ PHE1015 HZ PHE 15 4.606 -0.501 3.481 1051 H GLU1016 H GLU 16 5.200 4.345 -0.816 1052 HA GLU1016 HA GLU 16 7.232 2.603 -0.720 1053 HB2 GLU1016 2HB GLU 16 5.914 3.138 -2.726 1054 HB3 GLU1016 1HB GLU 16 6.714 4.700 -2.860 1055 HG2 GLU1016 2HG GLU 16 8.898 3.371 -3.145 1056 HG3 GLU1016 1HG GLU 16 7.877 1.950 -3.368 1057 H ALA1017 H ALA 17 7.701 6.070 -1.415 1058 HA ALA1017 HA ALA 17 10.509 6.040 -1.535 1059 HB1 ALA1017 1HB ALA 17 10.359 8.487 -1.476 1060 HB2 ALA1017 2HB ALA 17 8.669 8.383 -0.965 1061 HB3 ALA1017 3HB ALA 17 9.153 7.800 -2.561 1062 H LYS1018 H LYS 18 8.382 7.305 1.097 1063 HA LYS1018 HA LYS 18 10.565 8.023 2.768 1064 HB2 LYS1018 2HB LYS 18 8.392 9.191 2.889 1065 HB3 LYS1018 1HB LYS 18 7.621 7.735 3.513 1066 HG2 LYS1018 2HG LYS 18 8.116 9.382 5.306 1067 HG3 LYS1018 1HG LYS 18 8.963 7.851 5.558 1068 HD2 LYS1018 2HD LYS 18 11.020 8.915 4.501 1069 HD3 LYS1018 1HD LYS 18 10.151 10.450 4.493 1070 HE2 LYS1018 2HE LYS 18 10.839 8.811 6.952 1071 HE3 LYS1018 1HE LYS 18 11.671 10.272 6.419 1072 HZ1 LYS1018 1HZ LYS 18 10.112 10.778 8.152 1073 HZ2 LYS1018 2HZ LYS 18 8.841 10.089 7.281 1074 HZ3 LYS1018 3HZ LYS 18 9.591 11.490 6.711 1075 H MET1019 H MET 19 8.679 5.095 2.523 1076 HA MET1019 HA MET 19 9.671 4.023 5.004 1077 HB2 MET1019 2HB MET 19 8.320 2.190 4.708 1078 HB3 MET1019 1HB MET 19 7.419 3.408 3.835 1079 HG2 MET1019 2HG MET 19 7.615 2.298 1.848 1080 HG3 MET1019 1HG MET 19 9.291 1.835 2.142 1081 HE1 MET1019 1HE MET 19 8.808 0.550 5.124 1082 HE2 MET1019 2HE MET 19 9.947 -0.075 3.927 1083 HE3 MET1019 3HE MET 19 8.755 -1.145 4.662 1084 H ALA1020 H ALA 20 10.587 3.876 1.586 1085 HA ALA1020 HA ALA 20 12.843 2.127 1.999 1086 HB1 ALA1020 1HB ALA 20 12.339 4.152 -0.217 1087 HB2 ALA1020 2HB ALA 20 11.872 2.451 -0.240 1088 HB3 ALA1020 3HB ALA 20 13.580 2.889 -0.231 1089 H LEU1021 H LEU 21 12.214 5.461 2.710 1090 HA LEU1021 HA LEU 21 15.026 6.143 3.159 1091 HB2 LEU1021 2HB LEU 21 12.503 7.708 3.852 1092 HB3 LEU1021 1HB LEU 21 14.145 8.317 3.988 1093 HG LEU1021 HG LEU 21 12.719 7.595 1.397 1094 HD11 LEU1021 1HD1 LEU 21 11.883 9.668 2.394 1095 HD12 LEU1021 2HD1 LEU 21 12.750 9.979 0.894 1096 HD13 LEU1021 3HD1 LEU 21 13.523 10.323 2.447 1097 HD21 LEU1021 1HD2 LEU 21 15.517 8.700 1.760 1098 HD22 LEU1021 2HD2 LEU 21 14.678 8.497 0.219 1099 HD23 LEU1021 3HD2 LEU 21 15.091 7.085 1.187 1100 H LEU1022 H LEU 22 12.397 4.749 5.049 1101 HA LEU1022 HA LEU 22 13.216 5.140 7.680 1102 HB2 LEU1022 2HB LEU 22 12.177 2.580 6.403 1103 HB3 LEU1022 1HB LEU 22 12.444 2.720 8.129 1104 HG LEU1022 HG LEU 22 10.451 4.395 6.546 1105 HD11 LEU1022 1HD1 LEU 22 8.709 3.052 7.638 1106 HD12 LEU1022 2HD1 LEU 22 9.940 2.034 8.393 1107 HD13 LEU1022 3HD1 LEU 22 9.752 2.043 6.637 1108 HD21 LEU1022 1HD2 LEU 22 11.289 5.579 8.519 1109 HD22 LEU1022 2HD2 LEU 22 10.889 4.193 9.539 1110 HD23 LEU1022 3HD2 LEU 22 9.604 5.101 8.735 1111 HA PRO1023 HA PRO 23 17.341 3.153 7.341 1112 HB2 PRO1023 2HB PRO 23 18.634 4.624 9.178 1113 HB3 PRO1023 1HB PRO 23 18.030 5.390 7.695 1114 HG2 PRO1023 2HG PRO 23 16.900 5.512 10.458 1115 HG3 PRO1023 1HG PRO 23 16.962 6.771 9.209 1116 HD2 PRO1023 2HD PRO 23 14.745 5.075 9.776 1117 HD3 PRO1023 1HD PRO 23 14.919 6.158 8.377 1118 H ALA1024 H ALA 24 15.114 1.971 9.046 1119 HA ALA1024 HA ALA 24 16.712 0.817 11.283 1120 HB1 ALA1024 1HB ALA 24 15.106 2.478 12.157 1121 HB2 ALA1024 2HB ALA 24 14.681 0.848 12.683 1122 HB3 ALA1024 3HB ALA 24 13.778 1.617 11.377 1123 H VAL1025 H VAL 25 14.200 0.360 8.880 1124 HA VAL1025 HA VAL 25 14.428 -2.578 9.101 1125 HB VAL1025 HB VAL 25 11.977 -2.754 8.457 1126 HG11 VAL1025 1HG1 VAL 25 11.083 -2.411 10.732 1127 HG12 VAL1025 2HG1 VAL 25 12.514 -1.469 11.159 1128 HG13 VAL1025 3HG1 VAL 25 12.672 -3.182 10.765 1129 HG21 VAL1025 1HG2 VAL 25 11.880 0.210 9.164 1130 HG22 VAL1025 2HG2 VAL 25 10.472 -0.815 8.867 1131 HG23 VAL1025 3HG2 VAL 25 11.620 -0.491 7.565 Start of MODEL 16 1 H1 MET 1 1H MET 1 5.868 -5.301 24.090 2 H2 MET 1 2H MET 1 5.979 -6.568 25.199 3 H3 MET 1 3H MET 1 4.663 -5.514 25.250 4 HA MET 1 HA MET 1 5.318 -7.409 23.089 5 HB2 MET 1 2HB MET 1 4.358 -8.511 25.103 6 HB3 MET 1 1HB MET 1 2.997 -7.402 25.073 7 HG2 MET 1 2HG MET 1 2.364 -8.337 22.832 8 HG3 MET 1 1HG MET 1 3.651 -9.526 23.019 9 HE1 MET 1 1HE MET 1 0.389 -11.663 23.515 10 HE2 MET 1 2HE MET 1 1.885 -11.488 22.598 11 HE3 MET 1 3HE MET 1 0.591 -10.298 22.416 12 H THR 2 H THR 2 3.198 -4.800 24.238 13 HA THR 2 HA THR 2 1.213 -4.888 22.297 14 HB THR 2 HB THR 2 0.859 -2.410 22.872 15 HG1 THR 2 HG1 THR 2 2.268 -1.422 24.134 16 HG21 THR 2 1HG2 THR 2 -0.320 -4.174 24.119 17 HG22 THR 2 2HG2 THR 2 0.149 -2.861 25.201 18 HG23 THR 2 3HG2 THR 2 1.069 -4.367 25.194 19 H SER 3 H SER 3 4.166 -2.829 22.284 20 HA SER 3 HA SER 3 3.694 -1.547 19.828 21 HB2 SER 3 2HB SER 3 6.354 -2.071 21.208 22 HB3 SER 3 1HB SER 3 6.062 -0.857 19.962 23 HG SER 3 HG SER 3 4.273 -0.258 21.646 24 H THR 4 H THR 4 5.496 -4.509 20.589 25 HA THR 4 HA THR 4 6.639 -5.064 18.096 26 HB THR 4 HB THR 4 5.754 -6.979 20.305 27 HG1 THR 4 HG1 THR 4 8.436 -6.489 19.974 28 HG21 THR 4 1HG2 THR 4 6.096 -8.248 18.202 29 HG22 THR 4 2HG2 THR 4 7.377 -8.599 19.362 30 HG23 THR 4 3HG2 THR 4 7.689 -7.508 18.010 31 H VAL 5 H VAL 5 3.639 -6.355 19.530 32 HA VAL 5 HA VAL 5 2.810 -7.915 17.359 33 HB VAL 5 HB VAL 5 1.162 -6.711 19.635 34 HG11 VAL 5 1HG1 VAL 5 -0.347 -7.257 17.760 35 HG12 VAL 5 2HG1 VAL 5 -0.592 -8.382 19.096 36 HG13 VAL 5 3HG1 VAL 5 0.324 -8.887 17.675 37 HG21 VAL 5 1HG2 VAL 5 2.929 -8.277 20.370 38 HG22 VAL 5 2HG2 VAL 5 2.296 -9.514 19.283 39 HG23 VAL 5 3HG2 VAL 5 1.326 -8.960 20.651 40 H GLU 6 H GLU 6 1.788 -4.593 18.330 41 HA GLU 6 HA GLU 6 -0.139 -4.342 16.265 42 HB2 GLU 6 2HB GLU 6 -0.378 -2.031 16.895 43 HB3 GLU 6 1HB GLU 6 -0.176 -2.984 18.358 44 HG2 GLU 6 2HG GLU 6 2.246 -2.275 18.393 45 HG3 GLU 6 1HG GLU 6 1.888 -1.193 17.046 46 H PHE 7 H PHE 7 3.303 -3.381 16.434 47 HA PHE 7 HA PHE 7 3.467 -1.911 14.024 48 HB2 PHE 7 2HB PHE 7 5.204 -1.901 15.778 49 HB3 PHE 7 1HB PHE 7 5.578 -3.586 15.456 50 HD1 PHE 7 HD1 PHE 7 7.521 -3.981 14.205 51 HD2 PHE 7 HD2 PHE 7 5.395 -0.314 13.585 52 HE1 PHE 7 HE1 PHE 7 9.293 -3.206 12.681 53 HE2 PHE 7 HE2 PHE 7 7.168 0.444 12.058 54 HZ PHE 7 HZ PHE 7 9.120 -0.997 11.611 55 H ILE 8 H ILE 8 4.167 -5.338 14.686 56 HA ILE 8 HA ILE 8 4.868 -6.101 12.036 57 HB ILE 8 HB ILE 8 4.046 -7.754 14.465 58 HG12 ILE 8 2HG1 ILE 8 6.825 -7.195 13.327 59 HG13 ILE 8 1HG1 ILE 8 6.121 -6.347 14.700 60 HG21 ILE 8 1HG2 ILE 8 5.077 -9.717 13.368 61 HG22 ILE 8 2HG2 ILE 8 5.336 -8.764 11.906 62 HG23 ILE 8 3HG2 ILE 8 3.695 -9.117 12.446 63 HD11 ILE 8 1HD1 ILE 8 6.763 -9.282 14.576 64 HD12 ILE 8 2HD1 ILE 8 6.037 -8.442 15.946 65 HD13 ILE 8 3HD1 ILE 8 7.672 -8.037 15.427 66 H ASN 9 H ASN 9 1.814 -6.020 13.807 67 HA ASN 9 HA ASN 9 0.316 -7.574 11.855 68 HB2 ASN 9 2HB ASN 9 -0.518 -6.086 14.376 69 HB3 ASN 9 1HB ASN 9 -1.695 -6.817 13.293 70 HD21 ASN 9 1HD2 ASN 9 1.475 -8.260 14.090 71 HD22 ASN 9 2HD2 ASN 9 0.813 -9.601 14.946 72 H ARG 10 H ARG 10 0.972 -4.174 12.437 73 HA ARG 10 HA ARG 10 -1.024 -3.154 10.633 74 HB2 ARG 10 2HB ARG 10 1.529 -1.916 11.757 75 HB3 ARG 10 1HB ARG 10 0.487 -1.058 10.626 76 HG2 ARG 10 2HG ARG 10 -1.339 -1.035 12.191 77 HG3 ARG 10 1HG ARG 10 -0.495 -2.131 13.284 78 HD2 ARG 10 2HD ARG 10 1.265 -0.334 13.602 79 HD3 ARG 10 1HD ARG 10 0.239 0.755 12.657 80 HE ARG 10 HE ARG 10 -1.082 -0.487 14.908 81 HH11 ARG 10 1HH1 ARG 10 0.816 2.326 13.950 82 HH12 ARG 10 2HH1 ARG 10 0.252 3.302 15.269 83 HH21 ARG 10 1HH2 ARG 10 -1.812 0.804 16.616 84 HH22 ARG 10 2HH2 ARG 10 -1.235 2.432 16.777 85 H TRP 11 H TRP 11 2.472 -3.912 10.373 86 HA TRP 11 HA TRP 11 2.779 -3.449 7.615 87 HB2 TRP 11 2HB TRP 11 4.262 -5.221 9.581 88 HB3 TRP 11 1HB TRP 11 4.643 -5.326 7.866 89 HD1 TRP 11 HD1 TRP 11 5.886 -3.641 10.798 90 HE1 TRP 11 HE1 TRP 11 7.210 -1.534 10.177 91 HE3 TRP 11 HE3 TRP 11 4.352 -3.059 5.947 92 HZ2 TRP 11 HZ2 TRP 11 7.566 0.165 7.981 93 HZ3 TRP 11 HZ3 TRP 11 5.225 -1.151 4.660 94 HH2 TRP 11 HH2 TRP 11 6.796 0.429 5.665 95 H GLN 12 H GLN 12 1.707 -6.321 9.377 96 HA GLN 12 HA GLN 12 1.512 -8.105 7.197 97 HB2 GLN 12 2HB GLN 12 1.539 -8.817 9.582 98 HB3 GLN 12 1HB GLN 12 -0.050 -8.095 9.821 99 HG2 GLN 12 2HG GLN 12 -1.045 -9.692 8.259 100 HG3 GLN 12 1HG GLN 12 0.540 -10.384 7.914 101 HE21 GLN 12 1HE2 GLN 12 -1.890 -11.634 9.003 102 HE22 GLN 12 2HE2 GLN 12 -1.425 -12.338 10.511 103 H ARG 13 H ARG 13 -0.766 -5.825 8.673 104 HA ARG 13 HA ARG 13 -3.071 -6.522 7.238 105 HB2 ARG 13 2HB ARG 13 -3.017 -5.074 9.309 106 HB3 ARG 13 1HB ARG 13 -2.367 -3.766 8.332 107 HG2 ARG 13 2HG ARG 13 -4.724 -3.385 8.652 108 HG3 ARG 13 1HG ARG 13 -4.457 -3.795 6.960 109 HD2 ARG 13 2HD ARG 13 -5.355 -5.854 9.004 110 HD3 ARG 13 1HD ARG 13 -6.494 -4.848 8.112 111 HE ARG 13 HE ARG 13 -5.496 -5.848 6.037 112 HH11 ARG 13 1HH1 ARG 13 -5.419 -7.662 9.054 113 HH12 ARG 13 2HH1 ARG 13 -5.382 -9.207 8.261 114 HH21 ARG 13 1HH2 ARG 13 -5.542 -7.888 5.031 115 HH22 ARG 13 2HH2 ARG 13 -5.451 -9.330 5.997 116 H ILE 14 H ILE 14 -0.544 -4.100 6.585 117 HA ILE 14 HA ILE 14 -1.599 -3.036 4.184 118 HB ILE 14 HB ILE 14 1.344 -3.229 5.003 119 HG12 ILE 14 2HG1 ILE 14 -0.600 -0.931 5.470 120 HG13 ILE 14 1HG1 ILE 14 -0.109 -2.087 6.699 121 HG21 ILE 14 1HG2 ILE 14 0.023 -1.299 3.052 122 HG22 ILE 14 2HG2 ILE 14 1.055 -2.656 2.605 123 HG23 ILE 14 3HG2 ILE 14 1.729 -1.304 3.515 124 HD11 ILE 14 1HD1 ILE 14 1.705 -0.168 5.263 125 HD12 ILE 14 2HD1 ILE 14 2.198 -1.345 6.485 126 HD13 ILE 14 3HD1 ILE 14 1.104 -0.031 6.917 127 H ALA 15 H ALA 15 0.713 -5.693 4.796 128 HA ALA 15 HA ALA 15 1.492 -6.208 2.140 129 HB1 ALA 15 1HB ALA 15 2.740 -7.018 4.099 130 HB2 ALA 15 2HB ALA 15 2.348 -8.345 3.003 131 HB3 ALA 15 3HB ALA 15 1.425 -8.127 4.493 132 H LEU 16 H LEU 16 -0.954 -7.830 4.173 133 HA LEU 16 HA LEU 16 -1.895 -9.659 2.239 134 HB2 LEU 16 2HB LEU 16 -3.292 -8.553 4.708 135 HB3 LEU 16 1HB LEU 16 -3.870 -9.923 3.771 136 HG LEU 16 HG LEU 16 -1.253 -9.837 5.333 137 HD11 LEU 16 1HD1 LEU 16 -3.823 -11.314 5.976 138 HD12 LEU 16 2HD1 LEU 16 -3.197 -9.894 6.818 139 HD13 LEU 16 3HD1 LEU 16 -2.308 -11.413 6.882 140 HD21 LEU 16 1HD2 LEU 16 -1.041 -11.283 3.372 141 HD22 LEU 16 2HD2 LEU 16 -2.505 -12.156 3.828 142 HD23 LEU 16 3HD2 LEU 16 -1.069 -12.240 4.852 143 H LEU 17 H LEU 17 -3.024 -6.419 3.212 144 HA LEU 17 HA LEU 17 -5.244 -6.220 1.475 145 HB2 LEU 17 2HB LEU 17 -3.506 -4.163 2.856 146 HB3 LEU 17 1HB LEU 17 -4.698 -3.629 1.689 147 HG LEU 17 HG LEU 17 -5.410 -5.269 4.158 148 HD11 LEU 17 1HD1 LEU 17 -6.178 -3.189 5.195 149 HD12 LEU 17 2HD1 LEU 17 -5.602 -2.258 3.809 150 HD13 LEU 17 3HD1 LEU 17 -4.451 -3.108 4.843 151 HD21 LEU 17 1HD2 LEU 17 -7.153 -3.672 2.244 152 HD22 LEU 17 2HD2 LEU 17 -7.707 -4.532 3.685 153 HD23 LEU 17 3HD2 LEU 17 -7.041 -5.434 2.328 154 H SER 18 H SER 18 -1.793 -5.585 0.974 155 HA SER 18 HA SER 18 -2.064 -4.102 -1.454 156 HB2 SER 18 2HB SER 18 -0.081 -4.005 0.130 157 HB3 SER 18 1HB SER 18 0.417 -5.586 -0.468 158 HG SER 18 HG SER 18 0.679 -3.105 -1.606 159 H GLN 19 H GLN 19 -1.269 -7.511 -0.719 160 HA GLN 19 HA GLN 19 -1.000 -8.284 -3.461 161 HB2 GLN 19 2HB GLN 19 -0.929 -10.605 -2.610 162 HB3 GLN 19 1HB GLN 19 0.172 -9.537 -1.753 163 HG2 GLN 19 2HG GLN 19 -1.575 -9.381 0.078 164 HG3 GLN 19 1HG GLN 19 -2.448 -10.666 -0.759 165 HE21 GLN 19 1HE2 GLN 19 -2.211 -12.121 0.953 166 HE22 GLN 19 2HE2 GLN 19 -0.696 -12.831 1.390 167 H SER 20 H SER 20 -3.716 -8.322 -1.147 168 HA SER 20 HA SER 20 -5.587 -9.712 -2.750 169 HB2 SER 20 2HB SER 20 -6.024 -7.599 -0.594 170 HB3 SER 20 1HB SER 20 -7.336 -8.512 -1.349 171 HG SER 20 HG SER 20 -6.346 -10.418 -0.595 172 H LEU 21 H LEU 21 -5.006 -6.232 -2.358 173 HA LEU 21 HA LEU 21 -6.842 -5.278 -4.264 174 HB2 LEU 21 2HB LEU 21 -4.338 -4.022 -3.068 175 HB3 LEU 21 1HB LEU 21 -5.407 -3.147 -4.153 176 HG LEU 21 HG LEU 21 -6.338 -4.328 -1.504 177 HD11 LEU 21 1HD1 LEU 21 -6.206 -2.068 -0.563 178 HD12 LEU 21 2HD1 LEU 21 -5.486 -1.471 -2.059 179 HD13 LEU 21 3HD1 LEU 21 -4.615 -2.641 -1.065 180 HD21 LEU 21 1HD2 LEU 21 -8.261 -2.840 -1.793 181 HD22 LEU 21 2HD2 LEU 21 -8.127 -3.972 -3.135 182 HD23 LEU 21 3HD2 LEU 21 -7.625 -2.292 -3.345 183 H LEU 22 H LEU 22 -3.516 -6.439 -4.527 184 HA LEU 22 HA LEU 22 -3.008 -5.522 -7.158 185 HB2 LEU 22 2HB LEU 22 -1.156 -6.288 -5.780 186 HB3 LEU 22 1HB LEU 22 -1.849 -7.898 -5.646 187 HG LEU 22 HG LEU 22 -1.449 -8.317 -8.045 188 HD11 LEU 22 1HD1 LEU 22 -1.801 -6.098 -8.946 189 HD12 LEU 22 2HD1 LEU 22 -0.233 -6.711 -9.457 190 HD13 LEU 22 3HD1 LEU 22 -0.328 -5.505 -8.170 191 HD21 LEU 22 1HD2 LEU 22 1.069 -7.253 -6.732 192 HD22 LEU 22 2HD2 LEU 22 0.981 -8.417 -8.056 193 HD23 LEU 22 3HD2 LEU 22 0.367 -8.851 -6.463 194 H GLU 23 H GLU 23 -4.202 -8.677 -5.930 195 HA GLU 23 HA GLU 23 -4.672 -10.016 -8.335 196 HB2 GLU 23 2HB GLU 23 -6.337 -10.087 -5.778 197 HB3 GLU 23 1HB GLU 23 -6.500 -11.249 -7.089 198 HG2 GLU 23 2HG GLU 23 -4.044 -10.837 -5.365 199 HG3 GLU 23 1HG GLU 23 -5.203 -12.157 -5.219 200 H LEU 24 H LEU 24 -6.698 -7.776 -6.557 201 HA LEU 24 HA LEU 24 -8.975 -7.870 -8.239 202 HB2 LEU 24 2HB LEU 24 -8.112 -5.802 -6.188 203 HB3 LEU 24 1HB LEU 24 -9.722 -5.925 -6.885 204 HG LEU 24 HG LEU 24 -8.400 -8.042 -5.152 205 HD11 LEU 24 1HD1 LEU 24 -8.923 -6.069 -3.851 206 HD12 LEU 24 2HD1 LEU 24 -10.009 -7.387 -3.421 207 HD13 LEU 24 3HD1 LEU 24 -10.583 -6.071 -4.452 208 HD21 LEU 24 1HD2 LEU 24 -9.933 -9.065 -6.743 209 HD22 LEU 24 2HD2 LEU 24 -11.220 -7.956 -6.257 210 HD23 LEU 24 3HD2 LEU 24 -10.590 -9.143 -5.110 211 H ALA 25 H ALA 25 -6.105 -5.760 -8.171 212 HA ALA 25 HA ALA 25 -7.077 -3.760 -9.973 213 HB1 ALA 25 1HB ALA 25 -4.726 -3.049 -10.149 214 HB2 ALA 25 2HB ALA 25 -4.201 -4.533 -9.342 215 HB3 ALA 25 3HB ALA 25 -5.172 -3.344 -8.469 216 H GLN 26 H GLN 26 -5.250 -6.755 -10.351 217 HA GLN 26 HA GLN 26 -4.781 -6.640 -13.145 218 HB2 GLN 26 2HB GLN 26 -5.019 -9.038 -11.274 219 HB3 GLN 26 1HB GLN 26 -4.387 -9.109 -12.914 220 HG2 GLN 26 2HG GLN 26 -3.150 -7.443 -10.700 221 HG3 GLN 26 1HG GLN 26 -2.636 -9.077 -11.104 222 HE21 GLN 26 1HE2 GLN 26 -1.099 -6.582 -11.178 223 HE22 GLN 26 2HE2 GLN 26 -0.528 -6.417 -12.797 224 H ARG 27 H ARG 27 -7.434 -7.932 -11.158 225 HA ARG 27 HA ARG 27 -8.984 -8.982 -13.353 226 HB2 ARG 27 2HB ARG 27 -9.661 -8.446 -10.434 227 HB3 ARG 27 1HB ARG 27 -10.811 -9.151 -11.564 228 HG2 ARG 27 2HG ARG 27 -8.133 -10.365 -10.801 229 HG3 ARG 27 1HG ARG 27 -9.706 -10.860 -10.171 230 HD2 ARG 27 2HD ARG 27 -10.409 -11.517 -12.450 231 HD3 ARG 27 1HD ARG 27 -8.836 -11.013 -13.077 232 HE ARG 27 HE ARG 27 -8.773 -13.020 -10.977 233 HH11 ARG 27 1HH1 ARG 27 -8.767 -12.441 -14.454 234 HH12 ARG 27 2HH1 ARG 27 -8.102 -13.999 -14.832 235 HH21 ARG 27 1HH2 ARG 27 -7.917 -15.063 -11.498 236 HH22 ARG 27 2HH2 ARG 27 -7.621 -15.481 -13.157 237 H GLY 28 H GLY 28 -8.615 -5.840 -11.987 238 HA2 GLY 28 2HA GLY 28 -9.446 -3.821 -12.741 239 HA3 GLY 28 1HA GLY 28 -10.538 -4.666 -13.823 240 H GLU 29 H GLU 29 -10.489 -5.561 -10.506 241 HA GLU 29 HA GLU 29 -13.160 -4.686 -9.953 242 HB2 GLU 29 2HB GLU 29 -11.071 -5.762 -8.013 243 HB3 GLU 29 1HB GLU 29 -12.809 -5.701 -7.752 244 HG2 GLU 29 2HG GLU 29 -11.394 -7.406 -9.821 245 HG3 GLU 29 1HG GLU 29 -11.993 -7.976 -8.266 246 H TRP 30 H TRP 30 -12.810 -2.378 -10.374 247 HA TRP 30 HA TRP 30 -10.911 -0.832 -8.895 248 HB2 TRP 30 2HB TRP 30 -13.305 0.218 -10.460 249 HB3 TRP 30 1HB TRP 30 -11.852 1.114 -10.015 250 HD1 TRP 30 HD1 TRP 30 -13.233 -0.118 -13.003 251 HE1 TRP 30 HE1 TRP 30 -11.490 -0.872 -14.722 252 HE3 TRP 30 HE3 TRP 30 -9.141 -0.583 -9.933 253 HZ2 TRP 30 HZ2 TRP 30 -8.785 -1.570 -14.800 254 HZ3 TRP 30 HZ3 TRP 30 -7.014 -1.319 -10.928 255 HH2 TRP 30 HH2 TRP 30 -6.849 -1.805 -13.313 256 H ASP 31 H ASP 31 -14.333 -1.528 -8.523 257 HA ASP 31 HA ASP 31 -15.004 0.429 -6.596 258 HB2 ASP 31 2HB ASP 31 -16.238 -2.339 -6.968 259 HB3 ASP 31 1HB ASP 31 -16.985 -0.980 -6.130 260 H LEU 32 H LEU 32 -13.651 -2.834 -6.333 261 HA LEU 32 HA LEU 32 -13.765 -3.017 -3.475 262 HB2 LEU 32 2HB LEU 32 -12.094 -4.575 -5.486 263 HB3 LEU 32 1HB LEU 32 -12.220 -4.969 -3.778 264 HG LEU 32 HG LEU 32 -14.430 -5.135 -5.861 265 HD11 LEU 32 1HD1 LEU 32 -12.866 -6.993 -5.919 266 HD12 LEU 32 2HD1 LEU 32 -14.430 -7.531 -5.312 267 HD13 LEU 32 3HD1 LEU 32 -13.087 -7.275 -4.190 268 HD21 LEU 32 1HD2 LEU 32 -15.417 -4.289 -3.788 269 HD22 LEU 32 2HD2 LEU 32 -14.687 -5.612 -2.876 270 HD23 LEU 32 3HD2 LEU 32 -15.923 -5.950 -4.092 271 H LEU 33 H LEU 33 -11.249 -2.027 -5.813 272 HA LEU 33 HA LEU 33 -9.197 -1.461 -3.969 273 HB2 LEU 33 2HB LEU 33 -9.779 -0.574 -6.776 274 HB3 LEU 33 1HB LEU 33 -8.660 0.423 -5.864 275 HG LEU 33 HG LEU 33 -7.190 -1.542 -5.484 276 HD11 LEU 33 1HD1 LEU 33 -7.519 -3.636 -6.682 277 HD12 LEU 33 2HD1 LEU 33 -9.083 -3.069 -7.275 278 HD13 LEU 33 3HD1 LEU 33 -8.833 -3.332 -5.548 279 HD21 LEU 33 1HD2 LEU 33 -6.756 -0.071 -7.382 280 HD22 LEU 33 2HD2 LEU 33 -7.812 -1.049 -8.407 281 HD23 LEU 33 3HD2 LEU 33 -6.317 -1.736 -7.763 282 H LEU 34 H LEU 34 -11.886 0.534 -5.095 283 HA LEU 34 HA LEU 34 -11.150 2.915 -3.671 284 HB2 LEU 34 2HB LEU 34 -13.712 2.016 -5.042 285 HB3 LEU 34 1HB LEU 34 -13.524 3.610 -4.328 286 HG LEU 34 HG LEU 34 -11.806 2.544 -6.608 287 HD11 LEU 34 1HD1 LEU 34 -13.085 4.035 -8.084 288 HD12 LEU 34 2HD1 LEU 34 -14.157 4.459 -6.745 289 HD13 LEU 34 3HD1 LEU 34 -14.114 2.803 -7.357 290 HD21 LEU 34 1HD2 LEU 34 -11.073 4.884 -6.867 291 HD22 LEU 34 2HD2 LEU 34 -10.634 4.234 -5.290 292 HD23 LEU 34 3HD2 LEU 34 -12.003 5.340 -5.436 293 H GLN 35 H GLN 35 -13.077 0.087 -2.909 294 HA GLN 35 HA GLN 35 -14.435 1.135 -0.596 295 HB2 GLN 35 2HB GLN 35 -15.347 -0.777 -1.858 296 HB3 GLN 35 1HB GLN 35 -13.908 -1.730 -1.523 297 HG2 GLN 35 2HG GLN 35 -15.797 -2.445 -0.129 298 HG3 GLN 35 1HG GLN 35 -14.488 -1.809 0.865 299 HE21 GLN 35 1HE2 GLN 35 -17.725 -1.228 -0.326 300 HE22 GLN 35 2HE2 GLN 35 -18.134 0.020 0.795 301 H GLN 36 H GLN 36 -11.622 -0.957 -1.120 302 HA GLN 36 HA GLN 36 -10.970 -1.108 1.714 303 HB2 GLN 36 2HB GLN 36 -9.729 -2.368 -0.762 304 HB3 GLN 36 1HB GLN 36 -9.152 -2.658 0.878 305 HG2 GLN 36 2HG GLN 36 -11.105 -3.835 1.503 306 HG3 GLN 36 1HG GLN 36 -12.049 -3.179 0.171 307 HE21 GLN 36 1HE2 GLN 36 -10.157 -3.728 -1.914 308 HE22 GLN 36 2HE2 GLN 36 -10.130 -5.437 -2.118 309 H GLU 37 H GLU 37 -10.209 0.953 -0.872 310 HA GLU 37 HA GLU 37 -7.705 1.937 -0.600 311 HB2 GLU 37 2HB GLU 37 -9.340 2.841 -2.164 312 HB3 GLU 37 1HB GLU 37 -10.318 3.480 -0.848 313 HG2 GLU 37 2HG GLU 37 -8.489 5.066 -0.297 314 HG3 GLU 37 1HG GLU 37 -7.552 4.426 -1.642 315 H VAL 38 H VAL 38 -10.452 2.960 1.440 316 HA VAL 38 HA VAL 38 -9.178 4.724 3.142 317 HB VAL 38 HB VAL 38 -11.611 4.548 3.105 318 HG11 VAL 38 1HG1 VAL 38 -11.872 2.137 2.739 319 HG12 VAL 38 2HG1 VAL 38 -12.857 2.671 4.103 320 HG13 VAL 38 3HG1 VAL 38 -11.340 1.811 4.390 321 HG21 VAL 38 1HG2 VAL 38 -10.582 3.837 5.873 322 HG22 VAL 38 2HG2 VAL 38 -12.129 4.608 5.515 323 HG23 VAL 38 3HG2 VAL 38 -10.619 5.453 5.165 324 H SER 39 H SER 39 -9.535 1.200 3.488 325 HA SER 39 HA SER 39 -8.409 0.961 6.077 326 HB2 SER 39 2HB SER 39 -8.712 -1.156 3.898 327 HB3 SER 39 1HB SER 39 -8.512 -1.460 5.628 328 HG SER 39 HG SER 39 -10.585 -1.236 5.808 329 H TYR 40 H TYR 40 -7.072 0.711 2.820 330 HA TYR 40 HA TYR 40 -4.584 -0.491 3.560 331 HB2 TYR 40 2HB TYR 40 -5.627 -0.779 1.317 332 HB3 TYR 40 1HB TYR 40 -5.372 0.930 0.977 333 HD1 TYR 40 HD1 TYR 40 -3.534 1.366 -0.441 334 HD2 TYR 40 HD2 TYR 40 -3.294 -1.996 2.179 335 HE1 TYR 40 HE1 TYR 40 -1.340 0.788 -1.375 336 HE2 TYR 40 HE2 TYR 40 -1.099 -2.561 1.240 337 HH TYR 40 HH TYR 40 0.685 -0.443 -0.709 338 H LEU 41 H LEU 41 -5.536 2.800 2.535 339 HA LEU 41 HA LEU 41 -2.995 4.014 2.815 340 HB2 LEU 41 2HB LEU 41 -5.766 5.275 2.914 341 HB3 LEU 41 1HB LEU 41 -4.265 6.176 2.761 342 HG LEU 41 HG LEU 41 -5.444 4.263 0.701 343 HD11 LEU 41 1HD1 LEU 41 -5.063 7.274 0.603 344 HD12 LEU 41 2HD1 LEU 41 -6.595 6.420 0.805 345 HD13 LEU 41 3HD1 LEU 41 -5.694 6.261 -0.700 346 HD21 LEU 41 1HD2 LEU 41 -3.007 4.059 0.660 347 HD22 LEU 41 2HD2 LEU 41 -2.834 5.813 0.540 348 HD23 LEU 41 3HD2 LEU 41 -3.581 4.903 -0.777 349 H GLN 42 H GLN 42 -5.752 3.632 5.037 350 HA GLN 42 HA GLN 42 -4.802 5.144 7.214 351 HB2 GLN 42 2HB GLN 42 -7.125 4.346 7.071 352 HB3 GLN 42 1HB GLN 42 -6.591 2.677 7.217 353 HG2 GLN 42 2HG GLN 42 -5.847 3.080 9.511 354 HG3 GLN 42 1HG GLN 42 -6.246 4.788 9.375 355 HE21 GLN 42 1HE2 GLN 42 -8.795 4.326 7.970 356 HE22 GLN 42 2HE2 GLN 42 -9.873 3.698 9.164 357 H SER 43 H SER 43 -4.352 1.691 6.413 358 HA SER 43 HA SER 43 -2.897 0.988 8.740 359 HB2 SER 43 2HB SER 43 -4.102 -0.604 7.175 360 HB3 SER 43 1HB SER 43 -2.762 -0.417 6.044 361 HG SER 43 HG SER 43 -1.411 -1.113 7.897 362 H ILE 44 H ILE 44 -1.914 2.142 5.554 363 HA ILE 44 HA ILE 44 0.881 1.926 5.719 364 HB ILE 44 HB ILE 44 -1.035 3.644 4.120 365 HG12 ILE 44 2HG1 ILE 44 1.031 1.540 3.335 366 HG13 ILE 44 1HG1 ILE 44 -0.708 1.301 3.438 367 HG21 ILE 44 1HG2 ILE 44 0.806 4.669 2.818 368 HG22 ILE 44 2HG2 ILE 44 1.966 4.023 3.976 369 HG23 ILE 44 3HG2 ILE 44 0.782 5.218 4.495 370 HD11 ILE 44 1HD1 ILE 44 -1.007 2.868 1.558 371 HD12 ILE 44 2HD1 ILE 44 -0.019 1.466 1.149 372 HD13 ILE 44 3HD1 ILE 44 0.750 3.026 1.437 373 H GLU 45 H GLU 45 -1.203 4.747 6.444 374 HA GLU 45 HA GLU 45 0.977 6.395 7.254 375 HB2 GLU 45 2HB GLU 45 -0.731 8.038 7.917 376 HB3 GLU 45 1HB GLU 45 -1.049 7.379 6.318 377 HG2 GLU 45 2HG GLU 45 -2.740 5.830 7.396 378 HG3 GLU 45 1HG GLU 45 -2.509 6.730 8.891 379 H THR 46 H THR 46 -1.155 4.175 9.001 380 HA THR 46 HA THR 46 -0.397 5.182 11.607 381 HB THR 46 HB THR 46 -2.638 4.080 11.214 382 HG1 THR 46 HG1 THR 46 -1.011 3.963 13.319 383 HG21 THR 46 1HG2 THR 46 -1.053 1.490 11.356 384 HG22 THR 46 2HG2 THR 46 -1.872 2.095 9.920 385 HG23 THR 46 3HG2 THR 46 -2.813 1.636 11.341 386 H VAL 47 H VAL 47 0.816 2.556 9.475 387 HA VAL 47 HA VAL 47 2.485 1.448 11.565 388 HB VAL 47 HB VAL 47 1.763 0.219 9.367 389 HG11 VAL 47 1HG1 VAL 47 2.632 1.847 7.736 390 HG12 VAL 47 2HG1 VAL 47 3.387 0.269 7.513 391 HG13 VAL 47 3HG1 VAL 47 4.276 1.565 8.310 392 HG21 VAL 47 1HG2 VAL 47 3.197 -0.777 11.098 393 HG22 VAL 47 2HG2 VAL 47 4.620 -0.026 10.364 394 HG23 VAL 47 3HG2 VAL 47 3.721 -1.261 9.481 395 H MET 48 H MET 48 2.889 3.871 9.012 396 HA MET 48 HA MET 48 5.692 4.312 9.465 397 HB2 MET 48 2HB MET 48 4.418 4.829 7.323 398 HB3 MET 48 1HB MET 48 3.708 6.212 8.143 399 HG2 MET 48 2HG MET 48 5.859 7.275 8.346 400 HG3 MET 48 1HG MET 48 6.687 5.819 7.794 401 HE1 MET 48 1HE MET 48 6.676 4.948 5.270 402 HE2 MET 48 2HE MET 48 5.732 5.704 3.987 403 HE3 MET 48 3HE MET 48 4.913 4.853 5.295 404 H GLU 49 H GLU 49 2.706 5.556 10.800 405 HA GLU 49 HA GLU 49 3.700 7.569 12.543 406 HB2 GLU 49 2HB GLU 49 1.319 7.364 12.139 407 HB3 GLU 49 1HB GLU 49 1.319 5.680 12.631 408 HG2 GLU 49 2HG GLU 49 2.038 6.699 14.988 409 HG3 GLU 49 1HG GLU 49 1.306 8.161 14.330 410 H LYS 50 H LYS 50 3.514 4.038 12.751 411 HA LYS 50 HA LYS 50 4.076 3.937 15.587 412 HB2 LYS 50 2HB LYS 50 2.545 2.287 14.588 413 HB3 LYS 50 1HB LYS 50 3.819 1.706 13.527 414 HG2 LYS 50 2HG LYS 50 3.351 0.196 15.465 415 HG3 LYS 50 1HG LYS 50 5.028 0.729 15.369 416 HD2 LYS 50 2HD LYS 50 4.104 0.688 17.697 417 HD3 LYS 50 1HD LYS 50 4.715 2.270 17.213 418 HE2 LYS 50 2HE LYS 50 2.466 3.110 16.898 419 HE3 LYS 50 1HE LYS 50 1.777 1.498 17.104 420 HZ1 LYS 50 1HZ LYS 50 1.545 2.882 19.082 421 HZ2 LYS 50 2HZ LYS 50 3.226 3.002 19.218 422 HZ3 LYS 50 3HZ LYS 50 2.464 1.500 19.394 423 H GLN 51 H GLN 51 6.033 4.917 15.788 424 HA GLN 51 HA GLN 51 8.433 3.904 14.549 425 HB2 GLN 51 2HB GLN 51 9.614 5.545 15.964 426 HB3 GLN 51 1HB GLN 51 8.270 6.301 15.119 427 HG2 GLN 51 2HG GLN 51 6.929 6.298 17.159 428 HG3 GLN 51 1HG GLN 51 8.187 5.422 18.024 429 HE21 GLN 51 1HE2 GLN 51 10.372 7.020 16.842 430 HE22 GLN 51 2HE2 GLN 51 10.299 8.555 17.625 431 H THR 52 H THR 52 9.668 2.327 15.328 432 HA THR 52 HA THR 52 9.257 1.282 18.064 433 HB THR 52 HB THR 52 10.456 -0.795 17.089 434 HG1 THR 52 HG1 THR 52 11.204 0.260 15.158 435 HG21 THR 52 1HG2 THR 52 7.716 -0.082 15.976 436 HG22 THR 52 2HG2 THR 52 8.039 -0.796 17.560 437 HG23 THR 52 3HG2 THR 52 8.398 -1.707 16.094 438 HA PRO 53 HA PRO 53 13.370 2.637 19.318 439 HB2 PRO 53 2HB PRO 53 13.712 -0.182 20.370 440 HB3 PRO 53 1HB PRO 53 13.960 1.370 21.202 441 HG2 PRO 53 2HG PRO 53 11.800 -0.066 21.726 442 HG3 PRO 53 1HG PRO 53 11.668 1.703 21.569 443 HD2 PRO 53 2HD PRO 53 10.900 -0.434 19.589 444 HD3 PRO 53 1HD PRO 53 10.072 1.090 19.983 445 HA PRO 54 HA PRO 54 16.281 1.705 16.099 446 HB2 PRO 54 2HB PRO 54 18.417 1.517 18.237 447 HB3 PRO 54 1HB PRO 54 18.384 2.504 16.755 448 HG2 PRO 54 2HG PRO 54 17.919 3.641 19.106 449 HG3 PRO 54 1HG PRO 54 16.960 4.107 17.682 450 HD2 PRO 54 2HD PRO 54 16.180 2.343 19.990 451 HD3 PRO 54 1HD PRO 54 15.208 3.531 19.095 452 H GLY 55 H GLY 55 16.943 -0.238 19.005 453 HA2 GLY 55 2HA GLY 55 18.133 -2.456 17.650 454 HA3 GLY 55 1HA GLY 55 17.610 -2.398 19.323 455 H ILE 56 H ILE 56 16.481 -2.931 16.009 456 HA ILE 56 HA ILE 56 14.119 -4.391 16.978 457 HB ILE 56 HB ILE 56 14.996 -3.388 14.249 458 HG12 ILE 56 2HG1 ILE 56 13.581 -1.946 15.762 459 HG13 ILE 56 1HG1 ILE 56 12.786 -2.316 14.234 460 HG21 ILE 56 1HG2 ILE 56 12.828 -5.486 14.646 461 HG22 ILE 56 2HG2 ILE 56 14.354 -5.710 13.791 462 HG23 ILE 56 3HG2 ILE 56 13.144 -4.603 13.148 463 HD11 ILE 56 1HD1 ILE 56 11.291 -2.437 16.200 464 HD12 ILE 56 2HD1 ILE 56 12.244 -3.788 16.824 465 HD13 ILE 56 3HD1 ILE 56 11.370 -3.946 15.296 466 H THR 57 H THR 57 14.245 -6.453 17.395 467 HA THR 57 HA THR 57 16.656 -7.967 17.055 468 HB THR 57 HB THR 57 15.302 -8.109 19.107 469 HG1 THR 57 HG1 THR 57 16.500 -9.915 18.863 470 HG21 THR 57 1HG2 THR 57 13.055 -7.873 18.095 471 HG22 THR 57 2HG2 THR 57 13.150 -9.283 19.160 472 HG23 THR 57 3HG2 THR 57 13.201 -9.500 17.410 473 H ARG 58 H ARG 58 16.285 -10.425 16.463 474 HA ARG 58 HA ARG 58 16.427 -10.536 13.701 475 HB2 ARG 58 2HB ARG 58 15.899 -12.840 15.623 476 HB3 ARG 58 1HB ARG 58 16.508 -13.004 13.979 477 HG2 ARG 58 2HG ARG 58 18.585 -11.890 14.580 478 HG3 ARG 58 1HG ARG 58 17.973 -11.548 16.203 479 HD2 ARG 58 2HD ARG 58 19.499 -13.465 16.250 480 HD3 ARG 58 1HD ARG 58 17.862 -13.969 16.676 481 HE ARG 58 HE ARG 58 18.697 -14.299 13.888 482 HH11 ARG 58 1HH1 ARG 58 18.110 -15.881 16.994 483 HH12 ARG 58 2HH1 ARG 58 18.072 -17.472 16.298 484 HH21 ARG 58 1HH2 ARG 58 18.689 -16.388 13.026 485 HH22 ARG 58 2HH2 ARG 58 18.399 -17.759 14.052 486 H SER 59 H SER 59 13.773 -11.846 15.753 487 HA SER 59 HA SER 59 12.277 -12.930 13.612 488 HB2 SER 59 2HB SER 59 11.374 -12.238 16.440 489 HB3 SER 59 1HB SER 59 10.477 -13.255 15.303 490 HG SER 59 HG SER 59 12.276 -14.057 16.985 491 H ILE 60 H ILE 60 11.931 -9.871 15.431 492 HA ILE 60 HA ILE 60 9.554 -8.959 14.212 493 HB ILE 60 HB ILE 60 11.819 -7.239 15.346 494 HG12 ILE 60 2HG1 ILE 60 9.235 -8.191 16.678 495 HG13 ILE 60 1HG1 ILE 60 10.851 -8.784 17.046 496 HG21 ILE 60 1HG2 ILE 60 10.117 -5.431 15.523 497 HG22 ILE 60 2HG2 ILE 60 8.937 -6.468 14.723 498 HG23 ILE 60 3HG2 ILE 60 10.365 -5.922 13.845 499 HD11 ILE 60 1HD1 ILE 60 9.849 -5.972 17.511 500 HD12 ILE 60 2HD1 ILE 60 11.475 -6.560 17.869 501 HD13 ILE 60 3HD1 ILE 60 10.090 -7.223 18.733 502 H GLN 61 H GLN 61 12.988 -8.298 13.456 503 HA GLN 61 HA GLN 61 12.647 -6.607 11.266 504 HB2 GLN 61 2HB GLN 61 14.791 -6.993 12.518 505 HB3 GLN 61 1HB GLN 61 14.961 -8.552 11.730 506 HG2 GLN 61 2HG GLN 61 14.779 -5.987 10.125 507 HG3 GLN 61 1HG GLN 61 16.309 -6.523 10.804 508 HE21 GLN 61 1HE2 GLN 61 15.375 -6.195 7.982 509 HE22 GLN 61 2HE2 GLN 61 15.703 -7.712 7.223 510 H ASP 62 H ASP 62 12.911 -10.142 11.403 511 HA ASP 62 HA ASP 62 13.085 -10.678 8.638 512 HB2 ASP 62 2HB ASP 62 13.734 -12.316 10.373 513 HB3 ASP 62 1HB ASP 62 12.067 -12.441 10.918 514 H MET 63 H MET 63 10.275 -10.897 10.860 515 HA MET 63 HA MET 63 8.359 -11.630 8.918 516 HB2 MET 63 2HB MET 63 8.016 -10.338 11.656 517 HB3 MET 63 1HB MET 63 6.660 -10.866 10.665 518 HG2 MET 63 2HG MET 63 7.524 -13.176 10.726 519 HG3 MET 63 1HG MET 63 8.859 -12.645 11.746 520 HE1 MET 63 1HE MET 63 8.641 -12.117 14.340 521 HE2 MET 63 2HE MET 63 7.097 -11.781 15.118 522 HE3 MET 63 3HE MET 63 7.702 -10.700 13.864 523 H VAL 64 H VAL 64 9.107 -8.458 10.361 524 HA VAL 64 HA VAL 64 7.273 -6.877 8.956 525 HB VAL 64 HB VAL 64 9.941 -6.232 10.276 526 HG11 VAL 64 1HG1 VAL 64 9.406 -3.809 10.074 527 HG12 VAL 64 2HG1 VAL 64 8.068 -4.215 8.995 528 HG13 VAL 64 3HG1 VAL 64 9.726 -4.565 8.511 529 HG21 VAL 64 1HG2 VAL 64 8.521 -5.149 11.984 530 HG22 VAL 64 2HG2 VAL 64 8.063 -6.839 11.760 531 HG23 VAL 64 3HG2 VAL 64 7.077 -5.558 11.051 532 H ALA 65 H ALA 65 10.632 -7.776 8.123 533 HA ALA 65 HA ALA 65 10.853 -6.226 5.750 534 HB1 ALA 65 1HB ALA 65 12.373 -8.751 6.508 535 HB2 ALA 65 2HB ALA 65 12.826 -7.102 6.941 536 HB3 ALA 65 3HB ALA 65 12.830 -7.596 5.248 537 H GLY 66 H GLY 66 9.623 -9.470 6.423 538 HA2 GLY 66 2HA GLY 66 9.265 -10.409 3.771 539 HA3 GLY 66 1HA GLY 66 8.343 -10.922 5.182 540 H TYR 67 H TYR 67 7.110 -8.658 5.988 541 HA TYR 67 HA TYR 67 4.894 -8.432 4.219 542 HB2 TYR 67 2HB TYR 67 5.606 -6.738 6.645 543 HB3 TYR 67 1HB TYR 67 4.029 -6.783 5.861 544 HD1 TYR 67 HD1 TYR 67 5.139 -7.577 8.821 545 HD2 TYR 67 HD2 TYR 67 3.717 -9.753 5.421 546 HE1 TYR 67 HE1 TYR 67 4.444 -9.422 10.282 547 HE2 TYR 67 HE2 TYR 67 3.027 -11.595 6.895 548 HH TYR 67 HH TYR 67 2.809 -11.280 10.259 549 H ILE 68 H ILE 68 7.692 -6.452 4.865 550 HA ILE 68 HA ILE 68 6.984 -4.086 3.483 551 HB ILE 68 HB ILE 68 9.602 -5.284 4.459 552 HG12 ILE 68 2HG1 ILE 68 8.124 -2.699 5.112 553 HG13 ILE 68 1HG1 ILE 68 8.156 -4.152 6.101 554 HG21 ILE 68 1HG2 ILE 68 9.477 -2.775 2.759 555 HG22 ILE 68 2HG2 ILE 68 10.284 -4.285 2.341 556 HG23 ILE 68 3HG2 ILE 68 10.885 -3.308 3.680 557 HD11 ILE 68 1HD1 ILE 68 9.590 -2.450 7.020 558 HD12 ILE 68 2HD1 ILE 68 10.499 -2.343 5.514 559 HD13 ILE 68 3HD1 ILE 68 10.557 -3.822 6.480 560 H LYS 69 H LYS 69 8.841 -6.975 2.559 561 HA LYS 69 HA LYS 69 9.512 -6.214 -0.069 562 HB2 LYS 69 2HB LYS 69 10.538 -8.058 1.344 563 HB3 LYS 69 1HB LYS 69 9.119 -9.041 1.007 564 HG2 LYS 69 2HG LYS 69 9.663 -9.022 -1.397 565 HG3 LYS 69 1HG LYS 69 11.060 -7.988 -1.086 566 HD2 LYS 69 2HD LYS 69 10.656 -10.860 -0.170 567 HD3 LYS 69 1HD LYS 69 11.832 -10.275 -1.347 568 HE2 LYS 69 2HE LYS 69 11.823 -9.708 1.642 569 HE3 LYS 69 1HE LYS 69 12.961 -10.732 0.765 570 HZ1 LYS 69 1HZ LYS 69 12.666 -7.787 0.472 571 HZ2 LYS 69 2HZ LYS 69 13.705 -8.748 -0.455 572 HZ3 LYS 69 3HZ LYS 69 13.944 -8.606 1.211 573 H GLN 70 H GLN 70 6.788 -8.060 1.280 574 HA GLN 70 HA GLN 70 5.445 -8.718 -1.092 575 HB2 GLN 70 2HB GLN 70 4.391 -8.280 1.730 576 HB3 GLN 70 1HB GLN 70 3.351 -8.792 0.406 577 HG2 GLN 70 2HG GLN 70 5.724 -10.315 1.510 578 HG3 GLN 70 1HG GLN 70 4.023 -10.694 1.776 579 HE21 GLN 70 1HE2 GLN 70 2.807 -11.544 0.020 580 HE22 GLN 70 2HE2 GLN 70 3.579 -12.263 -1.347 581 H THR 71 H THR 71 4.859 -5.941 1.141 582 HA THR 71 HA THR 71 2.791 -4.891 -0.476 583 HB THR 71 HB THR 71 2.878 -4.396 1.937 584 HG1 THR 71 HG1 THR 71 2.888 -2.166 0.149 585 HG21 THR 71 1HG2 THR 71 5.291 -3.983 2.261 586 HG22 THR 71 2HG2 THR 71 4.325 -2.620 2.832 587 HG23 THR 71 3HG2 THR 71 5.175 -2.512 1.289 588 H LEU 72 H LEU 72 6.286 -4.218 -0.394 589 HA LEU 72 HA LEU 72 6.193 -1.925 -2.068 590 HB2 LEU 72 2HB LEU 72 8.462 -3.860 -1.478 591 HB3 LEU 72 1HB LEU 72 8.663 -2.465 -2.528 592 HG LEU 72 HG LEU 72 7.993 -2.402 0.444 593 HD11 LEU 72 1HD1 LEU 72 10.333 -2.922 -0.001 594 HD12 LEU 72 2HD1 LEU 72 10.183 -1.307 0.686 595 HD13 LEU 72 3HD1 LEU 72 10.482 -1.505 -1.044 596 HD21 LEU 72 1HD2 LEU 72 8.237 -0.079 -1.496 597 HD22 LEU 72 2HD2 LEU 72 8.161 0.065 0.260 598 HD23 LEU 72 3HD2 LEU 72 6.789 -0.591 -0.623 599 H ASP 73 H ASP 73 6.531 -5.404 -2.777 600 HA ASP 73 HA ASP 73 6.977 -5.075 -5.609 601 HB2 ASP 73 2HB ASP 73 7.788 -7.075 -4.426 602 HB3 ASP 73 1HB ASP 73 6.148 -7.500 -3.947 603 H ASN 74 H ASN 74 4.161 -5.953 -3.638 604 HA ASN 74 HA ASN 74 2.369 -6.436 -5.783 605 HB2 ASN 74 2HB ASN 74 1.786 -5.885 -2.842 606 HB3 ASN 74 1HB ASN 74 0.613 -6.494 -4.007 607 HD21 ASN 74 1HD2 ASN 74 2.501 -8.359 -5.315 608 HD22 ASN 74 2HD2 ASN 74 2.746 -9.636 -4.182 609 H GLU 75 H GLU 75 3.011 -3.632 -3.674 610 HA GLU 75 HA GLU 75 1.008 -1.959 -4.865 611 HB2 GLU 75 2HB GLU 75 1.825 -1.546 -2.561 612 HB3 GLU 75 1HB GLU 75 3.416 -1.147 -3.194 613 HG2 GLU 75 2HG GLU 75 2.337 0.753 -4.468 614 HG3 GLU 75 1HG GLU 75 0.839 0.397 -3.611 615 H GLN 76 H GLN 76 4.483 -2.516 -5.464 616 HA GLN 76 HA GLN 76 5.055 -0.580 -7.383 617 HB2 GLN 76 2HB GLN 76 6.804 -2.088 -6.724 618 HB3 GLN 76 1HB GLN 76 5.862 -3.499 -7.170 619 HG2 GLN 76 2HG GLN 76 6.105 -2.840 -9.571 620 HG3 GLN 76 1HG GLN 76 7.165 -1.526 -9.061 621 HE21 GLN 76 1HE2 GLN 76 6.831 -5.018 -9.289 622 HE22 GLN 76 2HE2 GLN 76 8.514 -5.377 -9.131 623 H LEU 77 H LEU 77 3.514 -3.752 -7.825 624 HA LEU 77 HA LEU 77 2.862 -3.346 -10.579 625 HB2 LEU 77 2HB LEU 77 1.976 -5.383 -8.528 626 HB3 LEU 77 1HB LEU 77 1.372 -5.397 -10.177 627 HG LEU 77 HG LEU 77 4.293 -5.730 -9.373 628 HD11 LEU 77 1HD1 LEU 77 4.022 -8.062 -10.128 629 HD12 LEU 77 2HD1 LEU 77 2.298 -7.779 -10.390 630 HD13 LEU 77 3HD1 LEU 77 2.974 -7.687 -8.761 631 HD21 LEU 77 1HD2 LEU 77 2.998 -5.874 -12.117 632 HD22 LEU 77 2HD2 LEU 77 4.676 -6.288 -11.751 633 HD23 LEU 77 3HD2 LEU 77 4.116 -4.631 -11.545 634 H LEU 78 H LEU 78 1.119 -2.729 -7.537 635 HA LEU 78 HA LEU 78 -1.446 -2.218 -8.598 636 HB2 LEU 78 2HB LEU 78 -0.038 -1.487 -6.046 637 HB3 LEU 78 1HB LEU 78 -1.452 -0.532 -6.433 638 HG LEU 78 HG LEU 78 -1.505 -3.571 -6.244 639 HD11 LEU 78 1HD1 LEU 78 -0.925 -2.590 -4.044 640 HD12 LEU 78 2HD1 LEU 78 -2.515 -3.352 -4.052 641 HD13 LEU 78 3HD1 LEU 78 -2.381 -1.588 -4.116 642 HD21 LEU 78 1HD2 LEU 78 -3.731 -1.502 -6.341 643 HD22 LEU 78 2HD2 LEU 78 -3.939 -3.247 -6.170 644 HD23 LEU 78 3HD2 LEU 78 -3.258 -2.588 -7.654 645 H LYS 79 H LYS 79 0.978 0.245 -7.605 646 HA LYS 79 HA LYS 79 -0.447 2.375 -8.838 647 HB2 LYS 79 2HB LYS 79 1.460 3.812 -8.167 648 HB3 LYS 79 1HB LYS 79 0.846 2.827 -6.849 649 HG2 LYS 79 2HG LYS 79 2.772 1.218 -7.343 650 HG3 LYS 79 1HG LYS 79 3.434 2.485 -8.373 651 HD2 LYS 79 2HD LYS 79 3.717 3.983 -6.519 652 HD3 LYS 79 1HD LYS 79 2.733 2.975 -5.451 653 HE2 LYS 79 2HE LYS 79 5.134 2.764 -4.941 654 HE3 LYS 79 1HE LYS 79 4.456 1.226 -5.478 655 HZ1 LYS 79 1HZ LYS 79 5.435 1.548 -7.630 656 HZ2 LYS 79 2HZ LYS 79 6.639 1.741 -6.455 657 HZ3 LYS 79 3HZ LYS 79 5.976 3.096 -7.217 658 H GLY 80 H GLY 80 2.116 0.259 -9.971 659 HA2 GLY 80 2HA GLY 80 2.819 1.672 -12.328 660 HA3 GLY 80 1HA GLY 80 2.927 -0.064 -12.094 661 H LEU 81 H LEU 81 0.402 -0.897 -11.787 662 HA LEU 81 HA LEU 81 -0.681 -0.945 -14.409 663 HB2 LEU 81 2HB LEU 81 -0.855 -2.835 -12.900 664 HB3 LEU 81 1HB LEU 81 -1.769 -1.906 -11.737 665 HG LEU 81 HG LEU 81 -2.989 -2.349 -14.484 666 HD11 LEU 81 1HD1 LEU 81 -3.005 -4.467 -12.306 667 HD12 LEU 81 2HD1 LEU 81 -2.190 -4.585 -13.868 668 HD13 LEU 81 3HD1 LEU 81 -3.948 -4.501 -13.801 669 HD21 LEU 81 1HD2 LEU 81 -4.210 -2.205 -11.695 670 HD22 LEU 81 2HD2 LEU 81 -5.112 -2.400 -13.203 671 HD23 LEU 81 3HD2 LEU 81 -4.211 -0.917 -12.904 672 H LEU 82 H LEU 82 -1.544 0.821 -11.490 673 HA LEU 82 HA LEU 82 -4.075 1.776 -12.488 674 HB2 LEU 82 2HB LEU 82 -2.489 2.249 -9.954 675 HB3 LEU 82 1HB LEU 82 -3.971 3.136 -10.281 676 HG LEU 82 HG LEU 82 -3.929 0.094 -10.258 677 HD11 LEU 82 1HD1 LEU 82 -4.706 0.167 -7.934 678 HD12 LEU 82 2HD1 LEU 82 -4.461 1.918 -7.898 679 HD13 LEU 82 3HD1 LEU 82 -3.083 0.833 -8.094 680 HD21 LEU 82 1HD2 LEU 82 -5.864 1.168 -11.328 681 HD22 LEU 82 2HD2 LEU 82 -6.171 2.104 -9.860 682 HD23 LEU 82 3HD2 LEU 82 -6.321 0.343 -9.840 683 H GLN 83 H GLN 83 -0.784 3.122 -12.152 684 HA GLN 83 HA GLN 83 -1.505 5.746 -13.025 685 HB2 GLN 83 2HB GLN 83 0.682 5.295 -11.922 686 HB3 GLN 83 1HB GLN 83 1.185 4.335 -13.306 687 HG2 GLN 83 2HG GLN 83 2.152 6.651 -13.245 688 HG3 GLN 83 1HG GLN 83 1.263 6.288 -14.727 689 HE21 GLN 83 1HE2 GLN 83 -0.581 7.478 -15.208 690 HE22 GLN 83 2HE2 GLN 83 -1.112 8.831 -14.271 691 H GLN 84 H GLN 84 -0.358 2.799 -14.673 692 HA GLN 84 HA GLN 84 -0.434 3.722 -17.321 693 HB2 GLN 84 2HB GLN 84 0.573 1.549 -16.678 694 HB3 GLN 84 1HB GLN 84 -1.019 0.912 -16.285 695 HG2 GLN 84 2HG GLN 84 -0.321 0.064 -18.451 696 HG3 GLN 84 1HG GLN 84 -1.690 1.152 -18.668 697 HE21 GLN 84 1HE2 GLN 84 -1.178 1.541 -20.833 698 HE22 GLN 84 2HE2 GLN 84 0.173 2.505 -21.314 699 H ARG 85 H ARG 85 -2.993 2.472 -15.198 700 HA ARG 85 HA ARG 85 -5.023 2.131 -17.138 701 HB2 ARG 85 2HB ARG 85 -5.116 1.044 -14.895 702 HB3 ARG 85 1HB ARG 85 -5.296 2.621 -14.135 703 HG2 ARG 85 2HG ARG 85 -7.480 1.727 -14.174 704 HG3 ARG 85 1HG ARG 85 -7.460 2.880 -15.503 705 HD2 ARG 85 2HD ARG 85 -7.259 -0.141 -15.706 706 HD3 ARG 85 1HD ARG 85 -8.639 0.854 -16.146 707 HE ARG 85 HE ARG 85 -6.053 0.936 -17.581 708 HH11 ARG 85 1HH1 ARG 85 -9.573 0.764 -17.720 709 HH12 ARG 85 2HH1 ARG 85 -9.615 0.827 -19.453 710 HH21 ARG 85 1HH2 ARG 85 -6.128 0.998 -19.821 711 HH22 ARG 85 2HH2 ARG 85 -7.657 0.959 -20.642 712 H LEU 86 H LEU 86 -4.495 4.731 -14.719 713 HA LEU 86 HA LEU 86 -6.649 6.352 -15.645 714 HB2 LEU 86 2HB LEU 86 -4.276 7.066 -13.880 715 HB3 LEU 86 1HB LEU 86 -5.690 8.084 -14.115 716 HG LEU 86 HG LEU 86 -5.751 5.318 -12.835 717 HD11 LEU 86 1HD1 LEU 86 -6.009 6.433 -10.706 718 HD12 LEU 86 2HD1 LEU 86 -5.942 8.023 -11.471 719 HD13 LEU 86 3HD1 LEU 86 -4.522 6.976 -11.472 720 HD21 LEU 86 1HD2 LEU 86 -8.042 5.896 -12.154 721 HD22 LEU 86 2HD2 LEU 86 -7.882 5.873 -13.908 722 HD23 LEU 86 3HD2 LEU 86 -7.941 7.416 -13.049 723 H ASP 87 H ASP 87 -3.317 6.065 -16.627 724 HA ASP 87 HA ASP 87 -3.141 8.591 -18.007 725 HB2 ASP 87 2HB ASP 87 -1.117 7.397 -17.196 726 HB3 ASP 87 1HB ASP 87 -1.448 6.064 -18.297 727 H GLU 88 H GLU 88 -3.766 5.200 -18.978 728 HA GLU 88 HA GLU 88 -4.259 5.614 -21.716 729 HB2 GLU 88 2HB GLU 88 -5.386 3.533 -19.792 730 HB3 GLU 88 1HB GLU 88 -5.675 3.491 -21.525 731 HG2 GLU 88 2HG GLU 88 -2.942 3.331 -20.229 732 HG3 GLU 88 1HG GLU 88 -3.887 1.945 -20.755 733 H LEU 89 H LEU 89 -6.442 5.567 -18.915 734 HA LEU 89 HA LEU 89 -8.870 6.119 -20.169 735 HB2 LEU 89 2HB LEU 89 -7.949 6.723 -17.330 736 HB3 LEU 89 1HB LEU 89 -9.602 6.964 -17.871 737 HG LEU 89 HG LEU 89 -8.150 4.287 -17.744 738 HD11 LEU 89 1HD1 LEU 89 -10.387 5.376 -16.006 739 HD12 LEU 89 2HD1 LEU 89 -8.701 5.145 -15.526 740 HD13 LEU 89 3HD1 LEU 89 -9.702 3.749 -15.920 741 HD21 LEU 89 1HD2 LEU 89 -11.025 4.860 -18.538 742 HD22 LEU 89 2HD2 LEU 89 -10.311 3.261 -18.307 743 HD23 LEU 89 3HD2 LEU 89 -9.733 4.299 -19.606 744 H SER 90 H SER 90 -6.442 8.352 -18.772 745 HA SER 90 HA SER 90 -7.812 10.776 -19.228 746 HB2 SER 90 2HB SER 90 -5.815 10.619 -17.768 747 HB3 SER 90 1HB SER 90 -4.796 10.305 -19.175 748 HG SER 90 HG SER 90 -5.284 12.378 -19.932 749 H SER 91 H SER 91 -5.674 8.855 -21.274 750 HA SER 91 HA SER 91 -5.628 10.647 -23.505 751 HB2 SER 91 2HB SER 91 -3.854 8.975 -23.050 752 HB3 SER 91 1HB SER 91 -5.000 7.669 -23.360 753 HG SER 91 HG SER 91 -3.544 8.432 -25.125 754 H LEU 92 H LEU 92 -7.840 8.109 -22.434 755 HA LEU 92 HA LEU 92 -9.331 7.888 -24.903 756 HB2 LEU 92 2HB LEU 92 -10.249 7.199 -22.073 757 HB3 LEU 92 1HB LEU 92 -11.041 6.704 -23.560 758 HG LEU 92 HG LEU 92 -8.392 5.729 -22.465 759 HD11 LEU 92 1HD1 LEU 92 -9.457 3.521 -22.456 760 HD12 LEU 92 2HD1 LEU 92 -10.965 4.246 -23.022 761 HD13 LEU 92 3HD1 LEU 92 -10.315 4.680 -21.440 762 HD21 LEU 92 1HD2 LEU 92 -9.562 5.091 -25.180 763 HD22 LEU 92 2HD2 LEU 92 -8.173 4.292 -24.438 764 HD23 LEU 92 3HD2 LEU 92 -8.084 6.000 -24.849 765 H ILE 93 H ILE 93 -9.428 9.848 -22.028 766 HA ILE 93 HA ILE 93 -11.959 11.175 -22.632 767 HB ILE 93 HB ILE 93 -9.951 11.556 -20.342 768 HG12 ILE 93 2HG1 ILE 93 -12.659 10.142 -20.289 769 HG13 ILE 93 1HG1 ILE 93 -11.133 9.301 -20.511 770 HG21 ILE 93 1HG2 ILE 93 -11.742 12.789 -19.159 771 HG22 ILE 93 2HG2 ILE 93 -12.766 12.685 -20.591 772 HG23 ILE 93 3HG2 ILE 93 -11.266 13.614 -20.644 773 HD11 ILE 93 1HD1 ILE 93 -10.407 10.102 -18.295 774 HD12 ILE 93 2HD1 ILE 93 -11.834 9.071 -18.257 775 HD13 ILE 93 3HD1 ILE 93 -12.008 10.814 -18.066 776 H GLY 94 H GLY 94 -8.631 11.537 -23.311 777 HA2 GLY 94 2HA GLY 94 -8.210 14.295 -23.452 778 HA3 GLY 94 1HA GLY 94 -7.339 13.070 -24.350 779 H GLN 95 H GLN 95 -7.622 12.967 -26.528 780 HA GLN 95 HA GLN 95 -8.154 13.492 -28.635 781 HB2 GLN 95 2HB GLN 95 -10.456 12.685 -28.056 782 HB3 GLN 95 1HB GLN 95 -10.897 14.331 -27.610 783 HG2 GLN 95 2HG GLN 95 -10.538 15.073 -29.925 784 HG3 GLN 95 1HG GLN 95 -10.043 13.443 -30.384 785 HE21 GLN 95 1HE2 GLN 95 -11.638 11.780 -30.404 786 HE22 GLN 95 2HE2 GLN 95 -13.321 12.149 -30.541 787 H VAL 96 H VAL 96 -9.983 16.080 -26.930 788 HA VAL 96 HA VAL 96 -8.733 18.287 -28.171 789 HB VAL 96 HB VAL 96 -10.821 18.589 -26.976 790 HG11 VAL 96 1HG1 VAL 96 -9.360 17.877 -24.418 791 HG12 VAL 96 2HG1 VAL 96 -10.593 16.912 -25.231 792 HG13 VAL 96 3HG1 VAL 96 -11.022 18.468 -24.519 793 HG21 VAL 96 1HG2 VAL 96 -9.379 20.580 -27.123 794 HG22 VAL 96 2HG2 VAL 96 -8.647 20.182 -25.567 795 HG23 VAL 96 3HG2 VAL 96 -10.357 20.614 -25.653 796 H LEU 97 H LEU 97 -7.844 16.509 -25.150 797 HA LEU 97 HA LEU 97 -5.113 17.574 -25.362 798 HB2 LEU 97 2HB LEU 97 -6.039 17.133 -23.090 799 HB3 LEU 97 1HB LEU 97 -6.246 15.439 -23.505 800 HG LEU 97 HG LEU 97 -3.752 15.232 -23.794 801 HD11 LEU 97 1HD1 LEU 97 -3.188 17.537 -24.346 802 HD12 LEU 97 2HD1 LEU 97 -2.256 16.983 -22.953 803 HD13 LEU 97 3HD1 LEU 97 -3.634 18.061 -22.714 804 HD21 LEU 97 1HD2 LEU 97 -3.185 15.244 -21.404 805 HD22 LEU 97 2HD2 LEU 97 -4.777 14.548 -21.694 806 HD23 LEU 97 3HD2 LEU 97 -4.638 16.189 -21.058 807 H PHE 98 H PHE 98 -4.302 16.817 -27.249 808 HA PHE 98 HA PHE 98 -4.591 14.251 -28.368 809 HB2 PHE 98 2HB PHE 98 -2.497 14.912 -29.725 810 HB3 PHE 98 1HB PHE 98 -3.914 15.930 -29.886 811 HD1 PHE 98 HD1 PHE 98 -0.388 15.872 -29.032 812 HD2 PHE 98 HD2 PHE 98 -3.966 18.173 -28.639 813 HE1 PHE 98 HE1 PHE 98 0.953 17.870 -28.504 814 HE2 PHE 98 HE2 PHE 98 -2.621 20.159 -28.099 815 HZ PHE 98 HZ PHE 98 -0.170 20.011 -28.036 816 H GLN 99 H GLN 99 -1.687 15.597 -26.740 817 HA GLN 99 HA GLN 99 -1.535 13.608 -24.784 818 HB2 GLN 99 2HB GLN 99 0.481 12.373 -25.331 819 HB3 GLN 99 1HB GLN 99 -0.672 12.149 -26.632 820 HG2 GLN 99 2HG GLN 99 1.557 14.181 -26.832 821 HG3 GLN 99 1HG GLN 99 1.816 12.489 -27.235 822 HE21 GLN 99 1HE2 GLN 99 2.042 14.812 -28.956 823 HE22 GLN 99 2HE2 GLN 99 0.942 14.565 -30.265 824 H GLY 100 H GLY 100 0.214 13.956 -23.305 825 HA2 GLY 100 2HA GLY 100 2.332 15.551 -23.177 826 HA3 GLY 100 1HA GLY 100 1.054 16.764 -23.179 827 HA PRO 101 HA PRO 101 1.959 14.786 -18.811 828 HB2 PRO 101 2HB PRO 101 3.049 17.077 -17.624 829 HB3 PRO 101 1HB PRO 101 4.005 15.771 -18.354 830 HG2 PRO 101 2HG PRO 101 3.186 18.399 -19.561 831 HG3 PRO 101 1HG PRO 101 4.765 17.576 -19.624 832 HD2 PRO 101 2HD PRO 101 3.097 17.459 -21.717 833 HD3 PRO 101 1HD PRO 101 4.047 16.031 -21.248 834 H SER 102 H SER 102 -0.324 14.752 -18.750 835 HA SER 102 HA SER 102 -1.622 16.534 -16.941 836 HB2 SER 102 2HB SER 102 -1.746 17.977 -18.988 837 HB3 SER 102 1HB SER 102 -2.527 16.668 -19.873 838 HG SER 102 HG SER 102 -4.305 16.855 -18.506 839 H ALA 103 H ALA 103 -1.137 13.866 -16.820 840 HA ALA 103 HA ALA 103 -3.223 12.197 -17.839 841 HB1 ALA 103 1HB ALA 103 -2.214 10.410 -16.493 842 HB2 ALA 103 2HB ALA 103 -1.201 11.592 -15.656 843 HB3 ALA 103 3HB ALA 103 -0.979 11.304 -17.383 844 H GLY 104 H GLY 104 -5.116 13.178 -17.182 845 HA2 GLY 104 2HA GLY 104 -6.436 12.070 -15.017 846 HA3 GLY 104 1HA GLY 104 -5.903 13.671 -14.493 847 H LEU 105 H LEU 105 -6.414 15.474 -15.953 848 HA LEU 105 HA LEU 105 -7.849 16.905 -16.908 849 HB2 LEU 105 2HB LEU 105 -9.064 14.454 -18.218 850 HB3 LEU 105 1HB LEU 105 -9.566 16.096 -18.582 851 HG LEU 105 HG LEU 105 -6.772 14.978 -19.094 852 HD11 LEU 105 1HD1 LEU 105 -9.013 15.561 -21.061 853 HD12 LEU 105 2HD1 LEU 105 -8.435 13.961 -20.586 854 HD13 LEU 105 3HD1 LEU 105 -7.372 15.050 -21.475 855 HD21 LEU 105 1HD2 LEU 105 -7.971 17.670 -19.855 856 HD22 LEU 105 2HD2 LEU 105 -6.391 17.063 -20.355 857 HD23 LEU 105 3HD2 LEU 105 -6.704 17.392 -18.653 858 H VAL 106 H VAL 106 -9.761 14.070 -15.940 859 HA VAL 106 HA VAL 106 -12.145 15.400 -15.267 860 HB VAL 106 HB VAL 106 -11.171 12.723 -14.171 861 HG11 VAL 106 1HG1 VAL 106 -13.996 13.724 -14.666 862 HG12 VAL 106 2HG1 VAL 106 -13.218 13.572 -13.088 863 HG13 VAL 106 3HG1 VAL 106 -13.543 12.131 -14.051 864 HG21 VAL 106 1HG2 VAL 106 -10.910 12.771 -16.623 865 HG22 VAL 106 2HG2 VAL 106 -12.600 13.243 -16.803 866 HG23 VAL 106 3HG2 VAL 106 -12.193 11.659 -16.137 867 HA PRO 107 HA PRO 107 -10.538 16.978 -11.265 868 HB2 PRO 107 2HB PRO 107 -12.099 19.143 -11.051 869 HB3 PRO 107 1HB PRO 107 -10.930 19.026 -12.386 870 HG2 PRO 107 2HG PRO 107 -13.891 18.543 -12.437 871 HG3 PRO 107 1HG PRO 107 -12.874 19.400 -13.615 872 HD2 PRO 107 2HD PRO 107 -13.689 16.724 -13.835 873 HD3 PRO 107 1HD PRO 107 -12.342 17.462 -14.727 874 H ARG 108 H ARG 108 -11.934 18.085 -9.294 875 HA ARG 108 HA ARG 108 -13.247 15.901 -7.996 876 HB2 ARG 108 2HB ARG 108 -12.854 18.807 -7.146 877 HB3 ARG 108 1HB ARG 108 -13.555 17.568 -6.107 878 HG2 ARG 108 2HG ARG 108 -11.440 16.282 -6.225 879 HG3 ARG 108 1HG ARG 108 -10.731 17.546 -7.233 880 HD2 ARG 108 2HD ARG 108 -10.926 19.160 -5.400 881 HD3 ARG 108 1HD ARG 108 -11.758 17.962 -4.398 882 HE ARG 108 HE ARG 108 -9.279 16.900 -5.169 883 HH11 ARG 108 1HH1 ARG 108 -10.465 19.534 -3.146 884 HH12 ARG 108 2HH1 ARG 108 -9.096 19.487 -2.078 885 HH21 ARG 108 1HH2 ARG 108 -7.543 16.794 -3.729 886 HH22 ARG 108 2HH2 ARG 108 -7.439 17.923 -2.414 887 H GLY 109 H GLY 109 -15.220 15.347 -8.799 888 HA2 GLY 109 2HA GLY 109 -17.424 17.274 -8.447 889 HA3 GLY 109 1HA GLY 109 -17.226 16.521 -10.030 890 H SER 110 H SER 110 -19.479 15.864 -9.418 891 HA SER 110 HA SER 110 -19.454 13.257 -8.008 892 HB2 SER 110 2HB SER 110 -21.673 15.352 -7.866 893 HB3 SER 110 1HB SER 110 -21.711 13.753 -7.119 894 HG SER 110 HG SER 110 -19.878 15.847 -6.535 895 H GLY 111 H GLY 111 -19.183 12.270 -10.033 896 HA2 GLY 111 2HA GLY 111 -21.681 11.654 -11.413 897 HA3 GLY 111 1HA GLY 111 -20.408 12.364 -12.409 898 H GLY 112 H GLY 112 -19.633 10.325 -9.682 899 HA2 GLY 112 2HA GLY 112 -19.004 8.122 -9.473 900 HA3 GLY 112 1HA GLY 112 -19.459 7.838 -11.141 901 H ILE 113 H ILE 113 -17.988 8.874 -12.770 902 HA ILE 113 HA ILE 113 -15.416 7.791 -12.665 903 HB ILE 113 HB ILE 113 -16.583 8.201 -14.778 904 HG12 ILE 113 2HG1 ILE 113 -14.012 9.847 -14.722 905 HG13 ILE 113 1HG1 ILE 113 -14.079 8.092 -14.815 906 HG21 ILE 113 1HG2 ILE 113 -16.881 10.449 -15.744 907 HG22 ILE 113 2HG2 ILE 113 -16.223 11.175 -14.274 908 HG23 ILE 113 3HG2 ILE 113 -17.746 10.285 -14.213 909 HD11 ILE 113 1HD1 ILE 113 -13.642 9.051 -16.979 910 HD12 ILE 113 2HD1 ILE 113 -15.113 10.017 -16.894 911 HD13 ILE 113 3HD1 ILE 113 -15.214 8.255 -16.980 912 H GLU 114 H GLU 114 -16.559 10.970 -11.771 913 HA GLU 114 HA GLU 114 -14.089 12.376 -11.812 914 HB2 GLU 114 2HB GLU 114 -16.643 13.025 -10.274 915 HB3 GLU 114 1HB GLU 114 -15.333 14.152 -10.634 916 HG2 GLU 114 2HG GLU 114 -15.804 13.846 -13.078 917 HG3 GLU 114 1HG GLU 114 -17.175 12.825 -12.653 918 H GLY 115 H GLY 115 -15.960 10.780 -9.276 919 HA2 GLY 115 2HA GLY 115 -14.169 11.368 -7.117 920 HA3 GLY 115 1HA GLY 115 -15.480 10.193 -7.110 921 H MET1001 H MET 1 -14.526 8.769 -9.446 922 HA MET1001 HA MET 1 -12.820 6.837 -8.296 923 HB2 MET1001 2HB MET 1 -14.389 6.330 -10.152 924 HB3 MET1001 1HB MET 1 -13.473 7.372 -11.228 925 HG2 MET1001 2HG MET 1 -11.487 5.802 -10.827 926 HG3 MET1001 1HG MET 1 -12.646 4.704 -10.075 927 HE1 MET1001 1HE MET 1 -13.019 7.118 -13.234 928 HE2 MET1001 2HE MET 1 -12.704 5.968 -14.532 929 HE3 MET1001 3HE MET 1 -11.416 6.398 -13.409 930 H THR1002 H THR 2 -12.216 9.389 -10.746 931 HA THR1002 HA THR 2 -9.459 8.820 -11.099 932 HB THR1002 HB THR 2 -9.369 11.173 -12.127 933 HG1 THR1002 HG1 THR 2 -11.022 12.448 -11.857 934 HG21 THR1002 1HG2 THR 2 -11.507 9.293 -13.186 935 HG22 THR1002 2HG2 THR 2 -9.775 9.188 -13.523 936 HG23 THR1002 3HG2 THR 2 -10.706 10.571 -14.107 937 H THR1003 H THR 3 -11.154 11.294 -9.127 938 HA THR1003 HA THR 3 -8.830 12.609 -8.205 939 HB THR1003 HB THR 3 -10.351 13.515 -6.380 940 HG1 THR1003 HG1 THR 3 -12.666 12.658 -7.491 941 HG21 THR1003 1HG2 THR 3 -11.390 13.666 -9.231 942 HG22 THR1003 2HG2 THR 3 -10.129 14.686 -8.530 943 HG23 THR1003 3HG2 THR 3 -11.785 14.791 -7.933 944 H ARG1004 H ARG 4 -10.782 10.008 -6.692 945 HA ARG1004 HA ARG 4 -9.209 9.835 -4.335 946 HB2 ARG1004 2HB ARG 4 -11.150 7.859 -5.581 947 HB3 ARG1004 1HB ARG 4 -10.262 7.492 -4.103 948 HG2 ARG1004 2HG ARG 4 -11.245 9.626 -3.122 949 HG3 ARG1004 1HG ARG 4 -12.305 9.685 -4.531 950 HD2 ARG1004 2HD ARG 4 -12.147 7.360 -2.588 951 HD3 ARG1004 1HD ARG 4 -13.344 8.652 -2.499 952 HE ARG1004 HE ARG 4 -13.745 7.748 -4.985 953 HH11 ARG1004 1HH1 ARG 4 -13.391 5.966 -1.960 954 HH12 ARG1004 2HH1 ARG 4 -14.426 4.666 -2.460 955 HH21 ARG1004 1HH2 ARG 4 -15.154 6.076 -5.602 956 HH22 ARG1004 2HH2 ARG 4 -15.430 4.735 -4.538 957 H LEU1005 H LEU 5 -9.047 8.048 -7.447 958 HA LEU1005 HA LEU 5 -6.956 6.313 -6.560 959 HB2 LEU1005 2HB LEU 5 -8.063 6.903 -9.318 960 HB3 LEU1005 1HB LEU 5 -6.660 5.873 -9.106 961 HG LEU1005 HG LEU 5 -9.457 5.328 -8.034 962 HD11 LEU1005 1HD1 LEU 5 -9.434 3.428 -9.599 963 HD12 LEU1005 2HD1 LEU 5 -7.836 3.913 -10.180 964 HD13 LEU1005 3HD1 LEU 5 -9.232 4.961 -10.448 965 HD21 LEU1005 1HD2 LEU 5 -6.941 3.648 -7.697 966 HD22 LEU1005 2HD2 LEU 5 -8.577 3.162 -7.242 967 HD23 LEU1005 3HD2 LEU 5 -7.802 4.511 -6.418 968 H THR1006 H THR 6 -6.869 9.537 -8.067 969 HA THR1006 HA THR 6 -4.049 9.454 -8.668 970 HB THR1006 HB THR 6 -4.231 11.981 -8.857 971 HG1 THR1006 HG1 THR 6 -7.021 11.620 -8.525 972 HG21 THR1006 1HG2 THR 6 -4.620 10.548 -10.843 973 HG22 THR1006 2HG2 THR 6 -5.649 11.980 -10.879 974 HG23 THR1006 3HG2 THR 6 -6.329 10.420 -10.416 975 H ARG1007 H ARG 7 -5.976 10.863 -5.985 976 HA ARG1007 HA ARG 7 -3.924 11.690 -4.262 977 HB2 ARG1007 2HB ARG 7 -6.273 12.199 -3.805 978 HB3 ARG1007 1HB ARG 7 -6.653 10.488 -3.650 979 HG2 ARG1007 2HG ARG 7 -5.178 10.415 -1.602 980 HG3 ARG1007 1HG ARG 7 -4.997 12.166 -1.728 981 HD2 ARG1007 2HD ARG 7 -7.387 12.482 -1.397 982 HD3 ARG1007 1HD ARG 7 -7.665 10.737 -1.442 983 HE ARG1007 HE ARG 7 -5.817 11.441 0.617 984 HH11 ARG1007 1HH1 ARG 7 -9.266 11.476 -0.102 985 HH12 ARG1007 2HH1 ARG 7 -9.734 11.396 1.570 986 HH21 ARG1007 1HH2 ARG 7 -6.445 11.321 2.788 987 HH22 ARG1007 2HH2 ARG 7 -8.132 11.306 3.212 988 H TRP1008 H TRP 8 -5.391 8.547 -4.737 989 HA TRP1008 HA TRP 8 -4.123 7.022 -2.752 990 HB2 TRP1008 2HB TRP 8 -6.043 6.049 -3.660 991 HB3 TRP1008 1HB TRP 8 -5.644 6.514 -5.298 992 HD1 TRP1008 HD1 TRP 8 -4.008 4.858 -6.678 993 HE1 TRP1008 HE1 TRP 8 -3.640 2.345 -6.444 994 HE3 TRP1008 HE3 TRP 8 -5.897 4.154 -1.990 995 HZ2 TRP1008 HZ2 TRP 8 -4.122 0.299 -4.599 996 HZ3 TRP1008 HZ3 TRP 8 -5.931 1.877 -1.066 997 HH2 TRP1008 HH2 TRP 8 -5.056 -0.008 -2.350 998 H LEU1009 H LEU 9 -3.248 7.605 -6.202 999 HA LEU1009 HA LEU 9 -1.002 5.868 -6.254 1000 HB2 LEU1009 2HB LEU 9 -1.736 8.221 -8.041 1001 HB3 LEU1009 1HB LEU 9 -0.333 7.206 -8.338 1002 HG LEU1009 HG LEU 9 -3.239 6.311 -8.411 1003 HD11 LEU1009 1HD1 LEU 9 -1.204 6.571 -10.641 1004 HD12 LEU1009 2HD1 LEU 9 -2.605 7.613 -10.367 1005 HD13 LEU1009 3HD1 LEU 9 -2.842 5.920 -10.795 1006 HD21 LEU1009 1HD2 LEU 9 -2.423 4.132 -9.125 1007 HD22 LEU1009 2HD2 LEU 9 -1.857 4.516 -7.505 1008 HD23 LEU1009 3HD2 LEU 9 -0.753 4.648 -8.879 1009 H THR1010 H THR 10 -1.264 9.385 -5.615 1010 HA THR1010 HA THR 10 1.571 9.749 -5.373 1011 HB THR1010 HB THR 10 0.083 11.671 -5.933 1012 HG1 THR1010 HG1 THR 10 1.897 11.750 -3.776 1013 HG21 THR1010 1HG2 THR 10 -1.801 11.234 -4.407 1014 HG22 THR1010 2HG2 THR 10 -1.153 12.855 -4.156 1015 HG23 THR1010 3HG2 THR 10 -0.763 11.564 -3.018 1016 H ALA1011 H ALA 11 -1.000 8.811 -3.141 1017 HA ALA1011 HA ALA 11 0.561 9.027 -0.733 1018 HB1 ALA1011 1HB ALA 11 -1.967 7.431 -1.270 1019 HB2 ALA1011 2HB ALA 11 -1.898 9.088 -0.673 1020 HB3 ALA1011 3HB ALA 11 -1.277 7.768 0.323 1021 H LEU1012 H LEU 12 0.074 6.526 -3.175 1022 HA LEU1012 HA LEU 12 1.246 4.353 -1.719 1023 HB2 LEU1012 2HB LEU 12 0.916 4.710 -4.735 1024 HB3 LEU1012 1HB LEU 12 1.440 3.233 -3.950 1025 HG LEU1012 HG LEU 12 -1.321 4.449 -4.030 1026 HD11 LEU1012 1HD1 LEU 12 -1.961 2.188 -4.752 1027 HD12 LEU1012 2HD1 LEU 12 -0.284 1.665 -4.618 1028 HD13 LEU1012 3HD1 LEU 12 -0.734 2.895 -5.800 1029 HD21 LEU1012 1HD2 LEU 12 -2.093 2.816 -2.343 1030 HD22 LEU1012 2HD2 LEU 12 -0.998 4.018 -1.666 1031 HD23 LEU1012 3HD2 LEU 12 -0.412 2.385 -2.001 1032 H ASP1013 H ASP 13 2.392 6.511 -4.294 1033 HA ASP1013 HA ASP 13 5.064 5.637 -4.432 1034 HB2 ASP1013 2HB ASP 13 3.911 7.015 -6.183 1035 HB3 ASP1013 1HB ASP 13 3.935 8.403 -5.103 1036 H ASN1014 H ASN 14 3.457 8.116 -2.472 1037 HA ASN1014 HA ASN 14 5.642 9.177 -1.060 1038 HB2 ASN1014 2HB ASN 14 3.493 10.274 -0.942 1039 HB3 ASN1014 1HB ASN 14 2.714 8.829 -0.297 1040 HD21 ASN1014 1HD2 ASN 14 2.851 8.411 1.894 1041 HD22 ASN1014 2HD2 ASN 14 3.509 9.535 3.029 1042 H PHE1015 H PHE 15 3.532 6.372 -0.339 1043 HA PHE1015 HA PHE 15 4.655 5.651 2.131 1044 HB2 PHE1015 2HB PHE 15 2.567 4.646 1.595 1045 HB3 PHE1015 1HB PHE 15 3.126 4.091 0.024 1046 HD1 PHE1015 HD1 PHE 15 3.641 1.846 -0.198 1047 HD2 PHE1015 HD2 PHE 15 3.895 3.567 3.692 1048 HE1 PHE1015 HE1 PHE 15 4.159 -0.358 0.727 1049 HE2 PHE1015 HE2 PHE 15 4.429 1.342 4.629 1050 HZ PHE1015 HZ PHE 15 4.560 -0.619 3.136 1051 H GLU1016 H GLU 16 5.236 4.189 -1.084 1052 HA GLU1016 HA GLU 16 7.218 2.403 -0.500 1053 HB2 GLU1016 2HB GLU 16 5.982 2.633 -2.665 1054 HB3 GLU1016 1HB GLU 16 6.953 4.044 -3.054 1055 HG2 GLU1016 2HG GLU 16 8.794 1.925 -2.467 1056 HG3 GLU1016 1HG GLU 16 7.544 1.233 -3.494 1057 H ALA1017 H ALA 17 7.648 5.783 -1.516 1058 HA ALA1017 HA ALA 17 10.454 5.895 -1.542 1059 HB1 ALA1017 1HB ALA 17 10.166 8.336 -1.501 1060 HB2 ALA1017 2HB ALA 17 8.475 8.138 -1.027 1061 HB3 ALA1017 3HB ALA 17 9.023 7.579 -2.609 1062 H LYS1018 H LYS 18 8.209 7.081 0.998 1063 HA LYS1018 HA LYS 18 10.273 7.935 2.777 1064 HB2 LYS1018 2HB LYS 18 7.265 7.638 3.024 1065 HB3 LYS1018 1HB LYS 18 8.220 8.033 4.443 1066 HG2 LYS1018 2HG LYS 18 7.141 10.002 3.339 1067 HG3 LYS1018 1HG LYS 18 8.890 10.149 3.508 1068 HD2 LYS1018 2HD LYS 18 9.245 9.782 1.172 1069 HD3 LYS1018 1HD LYS 18 7.598 9.203 0.931 1070 HE2 LYS1018 2HE LYS 18 7.925 11.483 0.033 1071 HE3 LYS1018 1HE LYS 18 6.713 11.445 1.312 1072 HZ1 LYS1018 1HZ LYS 18 8.246 13.332 1.495 1073 HZ2 LYS1018 2HZ LYS 18 9.537 12.267 1.678 1074 HZ3 LYS1018 3HZ LYS 18 8.324 12.324 2.847 1075 H MET1019 H MET 19 8.551 4.902 2.395 1076 HA MET1019 HA MET 19 9.329 3.893 4.991 1077 HB2 MET1019 2HB MET 19 8.093 1.946 4.552 1078 HB3 MET1019 1HB MET 19 7.156 3.238 3.828 1079 HG2 MET1019 2HG MET 19 7.297 2.325 1.753 1080 HG3 MET1019 1HG MET 19 9.011 1.948 1.918 1081 HE1 MET1019 1HE MET 19 9.893 -0.096 3.354 1082 HE2 MET1019 2HE MET 19 8.839 -1.344 4.010 1083 HE3 MET1019 3HE MET 19 8.807 0.273 4.701 1084 H ALA1020 H ALA 20 10.513 3.692 1.664 1085 HA ALA1020 HA ALA 20 12.673 1.898 2.200 1086 HB1 ALA1020 1HB ALA 20 12.525 4.140 0.143 1087 HB2 ALA1020 2HB ALA 20 12.000 2.473 -0.101 1088 HB3 ALA1020 3HB ALA 20 13.708 2.825 0.162 1089 H LEU1021 H LEU 21 12.159 5.349 2.682 1090 HA LEU1021 HA LEU 21 14.878 5.937 3.499 1091 HB2 LEU1021 2HB LEU 21 12.331 7.597 3.703 1092 HB3 LEU1021 1HB LEU 21 13.950 8.197 4.034 1093 HG LEU1021 HG LEU 21 12.963 7.204 1.329 1094 HD11 LEU1021 1HD1 LEU 21 11.939 9.335 1.910 1095 HD12 LEU1021 2HD1 LEU 21 13.095 9.537 0.597 1096 HD13 LEU1021 3HD1 LEU 21 13.526 10.042 2.235 1097 HD21 LEU1021 1HD2 LEU 21 15.336 6.740 1.586 1098 HD22 LEU1021 2HD2 LEU 21 15.645 8.412 2.059 1099 HD23 LEU1021 3HD2 LEU 21 15.088 8.040 0.424 1100 H LEU1022 H LEU 22 12.092 4.684 5.173 1101 HA LEU1022 HA LEU 22 12.530 5.325 7.813 1102 HB2 LEU1022 2HB LEU 22 11.803 2.638 6.609 1103 HB3 LEU1022 1HB LEU 22 11.905 2.851 8.348 1104 HG LEU1022 HG LEU 22 9.987 4.334 6.504 1105 HD11 LEU1022 1HD1 LEU 22 9.436 2.109 8.498 1106 HD12 LEU1022 2HD1 LEU 22 9.377 1.978 6.737 1107 HD13 LEU1022 3HD1 LEU 22 8.225 3.009 7.580 1108 HD21 LEU1022 1HD2 LEU 22 8.953 5.179 8.570 1109 HD22 LEU1022 2HD2 LEU 22 10.615 5.732 8.398 1110 HD23 LEU1022 3HD2 LEU 22 10.234 4.426 9.524 1111 HA PRO1023 HA PRO 23 16.761 3.699 8.453 1112 HB2 PRO1023 2HB PRO 23 17.340 5.006 10.742 1113 HB3 PRO1023 1HB PRO 23 17.185 5.887 9.207 1114 HG2 PRO1023 2HG PRO 23 15.193 5.646 11.438 1115 HG3 PRO1023 1HG PRO 23 15.643 7.077 10.483 1116 HD2 PRO1023 2HD PRO 23 13.405 5.499 9.980 1117 HD3 PRO1023 1HD PRO 23 14.179 6.553 8.780 1118 H ALA1024 H ALA 24 13.922 3.082 10.216 1119 HA ALA1024 HA ALA 24 14.998 1.487 12.372 1120 HB1 ALA1024 1HB ALA 24 12.641 0.955 12.846 1121 HB2 ALA1024 2HB ALA 24 12.144 1.706 11.326 1122 HB3 ALA1024 3HB ALA 24 12.856 2.688 12.609 1123 H VAL1025 H VAL 25 13.921 0.931 9.100 1124 HA VAL1025 HA VAL 25 14.668 -1.888 9.187 1125 HB VAL1025 HB VAL 25 12.484 -2.410 7.792 1126 HG11 VAL1025 1HG1 VAL 25 11.235 -3.040 9.832 1127 HG12 VAL1025 2HG1 VAL 25 12.299 -2.021 10.804 1128 HG13 VAL1025 3HG1 VAL 25 12.950 -3.434 9.972 1129 HG21 VAL1025 1HG2 VAL 25 11.502 0.039 9.327 1130 HG22 VAL1025 2HG2 VAL 25 10.476 -1.088 8.430 1131 HG23 VAL1025 3HG2 VAL 25 11.656 -0.093 7.574 Start of MODEL 17 1 H1 MET 1 1H MET 1 5.509 -4.213 25.035 2 H2 MET 1 2H MET 1 5.797 -5.612 25.944 3 H3 MET 1 3H MET 1 4.241 -4.957 25.874 4 HA MET 1 HA MET 1 5.751 -6.132 23.625 5 HB2 MET 1 2HB MET 1 4.902 -7.786 25.310 6 HB3 MET 1 1HB MET 1 3.275 -7.174 25.064 7 HG2 MET 1 2HG MET 1 3.409 -7.906 22.678 8 HG3 MET 1 1HG MET 1 4.985 -8.622 23.024 9 HE1 MET 1 1HE MET 1 3.912 -10.920 21.968 10 HE2 MET 1 2HE MET 1 2.350 -10.118 21.778 11 HE3 MET 1 3HE MET 1 2.452 -11.668 22.614 12 H THR 2 H THR 2 3.406 -3.822 24.526 13 HA THR 2 HA THR 2 1.390 -4.058 22.617 14 HB THR 2 HB THR 2 2.474 -1.439 23.763 15 HG1 THR 2 HG1 THR 2 0.507 -3.236 24.790 16 HG21 THR 2 1HG2 THR 2 0.853 -1.082 21.919 17 HG22 THR 2 2HG2 THR 2 0.160 -0.608 23.471 18 HG23 THR 2 3HG2 THR 2 -0.304 -2.140 22.733 19 H SER 3 H SER 3 4.563 -2.459 22.372 20 HA SER 3 HA SER 3 4.276 -1.202 19.865 21 HB2 SER 3 2HB SER 3 6.862 -2.281 21.072 22 HB3 SER 3 1HB SER 3 6.691 -0.937 19.935 23 HG SER 3 HG SER 3 5.308 -0.013 21.704 24 H THR 4 H THR 4 5.564 -4.397 20.766 25 HA THR 4 HA THR 4 6.328 -5.466 18.321 26 HB THR 4 HB THR 4 5.053 -6.903 20.701 27 HG1 THR 4 HG1 THR 4 7.719 -6.160 20.094 28 HG21 THR 4 1HG2 THR 4 5.026 -8.412 18.788 29 HG22 THR 4 2HG2 THR 4 6.304 -8.919 19.893 30 HG23 THR 4 3HG2 THR 4 6.713 -8.037 18.421 31 H VAL 5 H VAL 5 3.186 -5.833 19.981 32 HA VAL 5 HA VAL 5 1.895 -7.410 18.035 33 HB VAL 5 HB VAL 5 0.571 -5.587 20.106 34 HG11 VAL 5 1HG1 VAL 5 -1.021 -6.400 18.399 35 HG12 VAL 5 2HG1 VAL 5 -1.350 -7.153 19.961 36 HG13 VAL 5 3HG1 VAL 5 -0.512 -8.064 18.702 37 HG21 VAL 5 1HG2 VAL 5 2.204 -7.118 21.171 38 HG22 VAL 5 2HG2 VAL 5 1.419 -8.499 20.402 39 HG23 VAL 5 3HG2 VAL 5 0.549 -7.551 21.611 40 H GLU 6 H GLU 6 1.872 -3.934 18.660 41 HA GLU 6 HA GLU 6 -0.003 -3.021 16.815 42 HB2 GLU 6 2HB GLU 6 1.069 -1.656 18.643 43 HB3 GLU 6 1HB GLU 6 2.562 -1.629 17.716 44 HG2 GLU 6 2HG GLU 6 1.447 0.482 17.419 45 HG3 GLU 6 1HG GLU 6 1.372 -0.403 15.899 46 H PHE 7 H PHE 7 3.503 -3.400 16.488 47 HA PHE 7 HA PHE 7 3.763 -2.240 13.929 48 HB2 PHE 7 2HB PHE 7 5.512 -2.590 15.826 49 HB3 PHE 7 1HB PHE 7 5.722 -4.206 15.169 50 HD1 PHE 7 HD1 PHE 7 7.538 -4.462 13.701 51 HD2 PHE 7 HD2 PHE 7 5.592 -0.661 13.947 52 HE1 PHE 7 HE1 PHE 7 9.180 -3.498 12.147 53 HE2 PHE 7 HE2 PHE 7 7.228 0.288 12.390 54 HZ PHE 7 HZ PHE 7 9.026 -1.130 11.489 55 H ILE 8 H ILE 8 3.862 -5.645 15.000 56 HA ILE 8 HA ILE 8 4.242 -6.862 12.488 57 HB ILE 8 HB ILE 8 2.982 -8.029 15.011 58 HG12 ILE 8 2HG1 ILE 8 5.869 -8.244 14.031 59 HG13 ILE 8 1HG1 ILE 8 5.323 -7.149 15.296 60 HG21 ILE 8 1HG2 ILE 8 2.404 -9.421 13.066 61 HG22 ILE 8 2HG2 ILE 8 3.562 -10.264 14.092 62 HG23 ILE 8 3HG2 ILE 8 4.103 -9.506 12.593 63 HD11 ILE 8 1HD1 ILE 8 6.393 -9.129 16.208 64 HD12 ILE 8 2HD1 ILE 8 5.200 -10.161 15.423 65 HD13 ILE 8 3HD1 ILE 8 4.701 -9.040 16.692 66 H ASN 9 H ASN 9 1.241 -6.190 14.342 67 HA ASN 9 HA ASN 9 -0.530 -7.576 12.599 68 HB2 ASN 9 2HB ASN 9 -0.930 -5.638 14.881 69 HB3 ASN 9 1HB ASN 9 -2.294 -5.948 13.810 70 HD21 ASN 9 1HD2 ASN 9 0.026 -7.550 15.969 71 HD22 ASN 9 2HD2 ASN 9 -0.987 -8.889 16.326 72 H ARG 10 H ARG 10 0.433 -4.136 12.796 73 HA ARG 10 HA ARG 10 -1.287 -3.167 10.769 74 HB2 ARG 10 2HB ARG 10 1.398 -2.137 11.755 75 HB3 ARG 10 1HB ARG 10 0.457 -1.299 10.521 76 HG2 ARG 10 2HG ARG 10 -1.372 -0.947 12.080 77 HG3 ARG 10 1HG ARG 10 -0.548 -1.901 13.319 78 HD2 ARG 10 2HD ARG 10 0.408 0.732 12.146 79 HD3 ARG 10 1HD ARG 10 -0.293 0.496 13.752 80 HE ARG 10 HE ARG 10 1.875 -1.216 13.619 81 HH11 ARG 10 1HH1 ARG 10 1.405 2.251 13.454 82 HH12 ARG 10 2HH1 ARG 10 2.971 2.600 14.084 83 HH21 ARG 10 1HH2 ARG 10 3.925 -0.704 14.480 84 HH22 ARG 10 2HH2 ARG 10 4.393 0.949 14.668 85 H TRP 11 H TRP 11 2.170 -4.173 10.566 86 HA TRP 11 HA TRP 11 2.424 -3.827 7.780 87 HB2 TRP 11 2HB TRP 11 4.038 -5.426 9.790 88 HB3 TRP 11 1HB TRP 11 4.429 -5.488 8.073 89 HD1 TRP 11 HD1 TRP 11 5.260 -3.527 11.085 90 HE1 TRP 11 HE1 TRP 11 6.461 -1.356 10.433 91 HE3 TRP 11 HE3 TRP 11 4.237 -3.468 6.069 92 HZ2 TRP 11 HZ2 TRP 11 6.916 0.205 8.143 93 HZ3 TRP 11 HZ3 TRP 11 5.081 -1.588 4.723 94 HH2 TRP 11 HH2 TRP 11 6.391 0.211 5.739 95 H GLN 12 H GLN 12 1.265 -6.563 9.659 96 HA GLN 12 HA GLN 12 1.230 -8.515 7.605 97 HB2 GLN 12 2HB GLN 12 1.037 -9.078 10.021 98 HB3 GLN 12 1HB GLN 12 -0.541 -8.308 10.083 99 HG2 GLN 12 2HG GLN 12 -0.282 -10.462 8.044 100 HG3 GLN 12 1HG GLN 12 -0.108 -10.999 9.708 101 HE21 GLN 12 1HE2 GLN 12 -2.009 -12.253 9.365 102 HE22 GLN 12 2HE2 GLN 12 -3.575 -11.524 9.442 103 H ARG 13 H ARG 13 -1.238 -6.246 8.829 104 HA ARG 13 HA ARG 13 -3.324 -6.895 7.065 105 HB2 ARG 13 2HB ARG 13 -2.685 -4.332 8.569 106 HB3 ARG 13 1HB ARG 13 -4.120 -4.473 7.557 107 HG2 ARG 13 2HG ARG 13 -3.480 -6.173 9.994 108 HG3 ARG 13 1HG ARG 13 -4.665 -4.864 9.917 109 HD2 ARG 13 2HD ARG 13 -5.881 -6.180 8.132 110 HD3 ARG 13 1HD ARG 13 -4.763 -7.514 8.429 111 HE ARG 13 HE ARG 13 -5.841 -6.897 10.887 112 HH11 ARG 13 1HH1 ARG 13 -7.117 -7.971 7.783 113 HH12 ARG 13 2HH1 ARG 13 -8.471 -8.789 8.488 114 HH21 ARG 13 1HH2 ARG 13 -7.654 -7.942 11.786 115 HH22 ARG 13 2HH2 ARG 13 -8.773 -8.770 10.760 116 H ILE 14 H ILE 14 -0.716 -4.480 6.783 117 HA ILE 14 HA ILE 14 -1.583 -3.245 4.388 118 HB ILE 14 HB ILE 14 1.222 -3.405 5.579 119 HG12 ILE 14 2HG1 ILE 14 -0.862 -1.194 5.827 120 HG13 ILE 14 1HG1 ILE 14 -0.514 -2.387 7.071 121 HG21 ILE 14 1HG2 ILE 14 0.184 -1.443 3.501 122 HG22 ILE 14 2HG2 ILE 14 1.343 -2.736 3.210 123 HG23 ILE 14 3HG2 ILE 14 1.780 -1.391 4.260 124 HD11 ILE 14 1HD1 ILE 14 1.767 -1.526 7.247 125 HD12 ILE 14 2HD1 ILE 14 0.548 -0.294 7.572 126 HD13 ILE 14 3HD1 ILE 14 1.392 -0.308 6.024 127 H ALA 15 H ALA 15 0.579 -5.990 5.012 128 HA ALA 15 HA ALA 15 1.513 -6.396 2.361 129 HB1 ALA 15 1HB ALA 15 2.674 -7.317 4.326 130 HB2 ALA 15 2HB ALA 15 2.275 -8.590 3.173 131 HB3 ALA 15 3HB ALA 15 1.312 -8.396 4.641 132 H LEU 16 H LEU 16 -1.158 -7.857 4.239 133 HA LEU 16 HA LEU 16 -2.032 -9.631 2.166 134 HB2 LEU 16 2HB LEU 16 -3.439 -8.669 4.685 135 HB3 LEU 16 1HB LEU 16 -4.082 -9.911 3.618 136 HG LEU 16 HG LEU 16 -1.529 -10.100 5.267 137 HD11 LEU 16 1HD1 LEU 16 -2.690 -11.864 6.499 138 HD12 LEU 16 2HD1 LEU 16 -4.153 -11.584 5.547 139 HD13 LEU 16 3HD1 LEU 16 -3.536 -10.323 6.621 140 HD21 LEU 16 1HD2 LEU 16 -1.369 -12.433 4.485 141 HD22 LEU 16 2HD2 LEU 16 -1.196 -11.284 3.162 142 HD23 LEU 16 3HD2 LEU 16 -2.717 -12.156 3.374 143 H LEU 17 H LEU 17 -2.856 -6.339 3.091 144 HA LEU 17 HA LEU 17 -5.192 -6.028 1.506 145 HB2 LEU 17 2HB LEU 17 -3.269 -4.055 2.754 146 HB3 LEU 17 1HB LEU 17 -4.541 -3.491 1.686 147 HG LEU 17 HG LEU 17 -5.048 -5.055 4.250 148 HD11 LEU 17 1HD1 LEU 17 -5.288 -2.065 3.822 149 HD12 LEU 17 2HD1 LEU 17 -4.042 -2.876 4.773 150 HD13 LEU 17 3HD1 LEU 17 -5.728 -2.955 5.284 151 HD21 LEU 17 1HD2 LEU 17 -7.384 -4.363 3.966 152 HD22 LEU 17 2HD2 LEU 17 -6.836 -5.301 2.581 153 HD23 LEU 17 3HD2 LEU 17 -6.976 -3.546 2.451 154 H SER 18 H SER 18 -1.767 -5.086 0.961 155 HA SER 18 HA SER 18 -2.105 -4.025 -1.637 156 HB2 SER 18 2HB SER 18 0.399 -4.246 -1.792 157 HB3 SER 18 1HB SER 18 -0.145 -3.452 -0.315 158 HG SER 18 HG SER 18 0.757 -4.968 0.780 159 H GLN 19 H GLN 19 -1.303 -7.252 -0.450 160 HA GLN 19 HA GLN 19 -0.798 -8.661 -2.793 161 HB2 GLN 19 2HB GLN 19 -0.468 -9.674 -0.628 162 HB3 GLN 19 1HB GLN 19 -2.162 -9.462 -0.202 163 HG2 GLN 19 2HG GLN 19 -2.758 -11.133 -1.977 164 HG3 GLN 19 1HG GLN 19 -1.037 -11.408 -2.243 165 HE21 GLN 19 1HE2 GLN 19 0.173 -12.387 -0.572 166 HE22 GLN 19 2HE2 GLN 19 -0.592 -13.306 0.672 167 H SER 20 H SER 20 -3.897 -8.560 -1.052 168 HA SER 20 HA SER 20 -5.573 -9.700 -2.936 169 HB2 SER 20 2HB SER 20 -6.262 -7.530 -0.906 170 HB3 SER 20 1HB SER 20 -7.439 -8.552 -1.740 171 HG SER 20 HG SER 20 -5.683 -9.177 0.326 172 H LEU 21 H LEU 21 -4.973 -6.241 -2.412 173 HA LEU 21 HA LEU 21 -6.610 -5.167 -4.390 174 HB2 LEU 21 2HB LEU 21 -4.118 -4.045 -3.066 175 HB3 LEU 21 1HB LEU 21 -5.147 -3.097 -4.129 176 HG LEU 21 HG LEU 21 -6.145 -4.375 -1.553 177 HD11 LEU 21 1HD1 LEU 21 -5.247 -1.508 -1.936 178 HD12 LEU 21 2HD1 LEU 21 -4.417 -2.739 -0.984 179 HD13 LEU 21 3HD1 LEU 21 -6.015 -2.180 -0.494 180 HD21 LEU 21 1HD2 LEU 21 -7.900 -3.919 -3.199 181 HD22 LEU 21 2HD2 LEU 21 -7.374 -2.237 -3.321 182 HD23 LEU 21 3HD2 LEU 21 -8.045 -2.850 -1.809 183 H LEU 22 H LEU 22 -3.208 -6.255 -4.568 184 HA LEU 22 HA LEU 22 -2.672 -5.244 -7.169 185 HB2 LEU 22 2HB LEU 22 -0.810 -5.947 -5.787 186 HB3 LEU 22 1HB LEU 22 -1.441 -7.586 -5.686 187 HG LEU 22 HG LEU 22 -1.020 -7.928 -8.107 188 HD11 LEU 22 1HD1 LEU 22 -1.335 -5.674 -8.938 189 HD12 LEU 22 2HD1 LEU 22 0.240 -6.282 -9.435 190 HD13 LEU 22 3HD1 LEU 22 0.123 -5.122 -8.106 191 HD21 LEU 22 1HD2 LEU 22 0.738 -8.529 -6.504 192 HD22 LEU 22 2HD2 LEU 22 1.455 -6.925 -6.687 193 HD23 LEU 22 3HD2 LEU 22 1.402 -8.035 -8.059 194 H GLU 23 H GLU 23 -3.745 -8.450 -6.018 195 HA GLU 23 HA GLU 23 -4.029 -9.720 -8.521 196 HB2 GLU 23 2HB GLU 23 -5.563 -10.197 -5.927 197 HB3 GLU 23 1HB GLU 23 -5.501 -11.320 -7.289 198 HG2 GLU 23 2HG GLU 23 -3.127 -11.683 -6.968 199 HG3 GLU 23 1HG GLU 23 -3.051 -10.404 -5.757 200 H LEU 24 H LEU 24 -6.166 -7.602 -6.709 201 HA LEU 24 HA LEU 24 -8.499 -7.916 -8.347 202 HB2 LEU 24 2HB LEU 24 -7.776 -5.757 -6.335 203 HB3 LEU 24 1HB LEU 24 -9.360 -5.940 -7.074 204 HG LEU 24 HG LEU 24 -8.036 -7.959 -5.224 205 HD11 LEU 24 1HD1 LEU 24 -10.315 -6.056 -4.668 206 HD12 LEU 24 2HD1 LEU 24 -8.679 -5.971 -4.011 207 HD13 LEU 24 3HD1 LEU 24 -9.726 -7.319 -3.580 208 HD21 LEU 24 1HD2 LEU 24 -10.166 -9.160 -5.226 209 HD22 LEU 24 2HD2 LEU 24 -9.493 -9.080 -6.849 210 HD23 LEU 24 3HD2 LEU 24 -10.833 -8.020 -6.401 211 H ALA 25 H ALA 25 -5.714 -5.731 -8.348 212 HA ALA 25 HA ALA 25 -6.729 -3.819 -10.224 213 HB1 ALA 25 1HB ALA 25 -4.385 -3.059 -10.396 214 HB2 ALA 25 2HB ALA 25 -3.849 -4.493 -9.515 215 HB3 ALA 25 3HB ALA 25 -4.856 -3.291 -8.709 216 H GLN 26 H GLN 26 -4.811 -6.780 -10.447 217 HA GLN 26 HA GLN 26 -4.409 -6.832 -13.259 218 HB2 GLN 26 2HB GLN 26 -4.509 -9.128 -11.252 219 HB3 GLN 26 1HB GLN 26 -3.923 -9.270 -12.906 220 HG2 GLN 26 2HG GLN 26 -2.679 -7.541 -10.750 221 HG3 GLN 26 1HG GLN 26 -2.100 -9.130 -11.243 222 HE21 GLN 26 1HE2 GLN 26 -0.588 -6.682 -11.281 223 HE22 GLN 26 2HE2 GLN 26 -0.148 -6.375 -12.921 224 H ARG 27 H ARG 27 -6.973 -8.033 -11.126 225 HA ARG 27 HA ARG 27 -8.519 -9.360 -13.152 226 HB2 ARG 27 2HB ARG 27 -9.074 -8.516 -10.298 227 HB3 ARG 27 1HB ARG 27 -10.365 -9.160 -11.303 228 HG2 ARG 27 2HG ARG 27 -9.055 -11.248 -11.602 229 HG3 ARG 27 1HG ARG 27 -7.824 -10.614 -10.504 230 HD2 ARG 27 2HD ARG 27 -9.480 -12.185 -9.421 231 HD3 ARG 27 1HD ARG 27 -9.375 -10.596 -8.659 232 HE ARG 27 HE ARG 27 -11.441 -9.996 -9.854 233 HH11 ARG 27 1HH1 ARG 27 -10.808 -13.441 -9.515 234 HH12 ARG 27 2HH1 ARG 27 -12.481 -13.869 -9.676 235 HH21 ARG 27 1HH2 ARG 27 -13.603 -10.570 -10.061 236 HH22 ARG 27 2HH2 ARG 27 -14.066 -12.243 -9.985 237 H GLY 28 H GLY 28 -8.257 -6.062 -12.098 238 HA2 GLY 28 2HA GLY 28 -9.196 -4.152 -12.984 239 HA3 GLY 28 1HA GLY 28 -10.229 -5.131 -14.018 240 H GLU 29 H GLU 29 -10.182 -5.824 -10.625 241 HA GLU 29 HA GLU 29 -12.880 -4.952 -10.163 242 HB2 GLU 29 2HB GLU 29 -10.856 -5.830 -8.065 243 HB3 GLU 29 1HB GLU 29 -12.608 -5.826 -7.912 244 HG2 GLU 29 2HG GLU 29 -10.965 -7.634 -9.702 245 HG3 GLU 29 1HG GLU 29 -11.711 -8.087 -8.175 246 H TRP 30 H TRP 30 -12.328 -2.658 -10.851 247 HA TRP 30 HA TRP 30 -10.515 -1.030 -9.381 248 HB2 TRP 30 2HB TRP 30 -12.849 0.025 -11.031 249 HB3 TRP 30 1HB TRP 30 -11.321 0.829 -10.692 250 HD1 TRP 30 HD1 TRP 30 -12.980 -0.801 -13.457 251 HE1 TRP 30 HE1 TRP 30 -11.334 -1.689 -15.218 252 HE3 TRP 30 HE3 TRP 30 -8.636 -0.578 -10.741 253 HZ2 TRP 30 HZ2 TRP 30 -8.582 -2.236 -15.437 254 HZ3 TRP 30 HZ3 TRP 30 -6.536 -1.307 -11.802 255 HH2 TRP 30 HH2 TRP 30 -6.514 -2.124 -14.111 256 H ASP 31 H ASP 31 -13.905 -1.801 -8.987 257 HA ASP 31 HA ASP 31 -14.636 0.280 -7.187 258 HB2 ASP 31 2HB ASP 31 -16.301 -1.026 -8.514 259 HB3 ASP 31 1HB ASP 31 -15.921 -2.464 -7.572 260 H LEU 32 H LEU 32 -13.501 -3.096 -6.718 261 HA LEU 32 HA LEU 32 -13.612 -3.088 -3.865 262 HB2 LEU 32 2HB LEU 32 -11.997 -4.810 -5.782 263 HB3 LEU 32 1HB LEU 32 -11.994 -5.054 -4.042 264 HG LEU 32 HG LEU 32 -14.384 -5.375 -5.895 265 HD11 LEU 32 1HD1 LEU 32 -12.784 -7.201 -6.096 266 HD12 LEU 32 2HD1 LEU 32 -14.254 -7.754 -5.296 267 HD13 LEU 32 3HD1 LEU 32 -12.795 -7.439 -4.343 268 HD21 LEU 32 1HD2 LEU 32 -15.115 -4.481 -3.727 269 HD22 LEU 32 2HD2 LEU 32 -14.258 -5.778 -2.888 270 HD23 LEU 32 3HD2 LEU 32 -15.631 -6.153 -3.932 271 H LEU 33 H LEU 33 -11.139 -2.134 -6.209 272 HA LEU 33 HA LEU 33 -9.012 -1.631 -4.428 273 HB2 LEU 33 2HB LEU 33 -9.689 -0.208 -7.028 274 HB3 LEU 33 1HB LEU 33 -8.168 -0.030 -6.160 275 HG LEU 33 HG LEU 33 -9.203 -2.524 -7.550 276 HD11 LEU 33 1HD1 LEU 33 -7.263 -2.295 -8.977 277 HD12 LEU 33 2HD1 LEU 33 -6.736 -0.863 -8.089 278 HD13 LEU 33 3HD1 LEU 33 -8.231 -0.826 -9.023 279 HD21 LEU 33 1HD2 LEU 33 -6.702 -2.240 -5.865 280 HD22 LEU 33 2HD2 LEU 33 -7.121 -3.635 -6.864 281 HD23 LEU 33 3HD2 LEU 33 -8.123 -3.214 -5.480 282 H LEU 34 H LEU 34 -11.634 0.478 -5.611 283 HA LEU 34 HA LEU 34 -10.935 2.825 -4.197 284 HB2 LEU 34 2HB LEU 34 -13.577 1.851 -5.320 285 HB3 LEU 34 1HB LEU 34 -13.378 3.451 -4.618 286 HG LEU 34 HG LEU 34 -11.787 2.460 -7.013 287 HD11 LEU 34 1HD1 LEU 34 -14.163 2.538 -7.588 288 HD12 LEU 34 2HD1 LEU 34 -13.254 3.795 -8.423 289 HD13 LEU 34 3HD1 LEU 34 -14.255 4.212 -7.028 290 HD21 LEU 34 1HD2 LEU 34 -10.661 4.239 -5.780 291 HD22 LEU 34 2HD2 LEU 34 -12.114 5.242 -5.837 292 HD23 LEU 34 3HD2 LEU 34 -11.248 4.849 -7.324 293 H GLN 35 H GLN 35 -12.978 0.067 -3.339 294 HA GLN 35 HA GLN 35 -14.220 1.115 -1.025 295 HB2 GLN 35 2HB GLN 35 -15.043 -0.904 -2.167 296 HB3 GLN 35 1HB GLN 35 -13.547 -1.754 -1.814 297 HG2 GLN 35 2HG GLN 35 -15.307 -2.538 -0.326 298 HG3 GLN 35 1HG GLN 35 -14.079 -1.682 0.605 299 HE21 GLN 35 1HE2 GLN 35 -17.342 -1.526 -0.663 300 HE22 GLN 35 2HE2 GLN 35 -17.889 -0.259 0.375 301 H GLN 36 H GLN 36 -11.413 -0.986 -1.419 302 HA GLN 36 HA GLN 36 -10.709 -0.945 1.394 303 HB2 GLN 36 2HB GLN 36 -9.545 -2.384 -1.012 304 HB3 GLN 36 1HB GLN 36 -8.957 -2.599 0.638 305 HG2 GLN 36 2HG GLN 36 -10.985 -3.609 1.351 306 HG3 GLN 36 1HG GLN 36 -11.859 -3.066 -0.077 307 HE21 GLN 36 1HE2 GLN 36 -9.992 -3.894 -2.044 308 HE22 GLN 36 2HE2 GLN 36 -9.986 -5.620 -2.067 309 H GLU 37 H GLU 37 -9.952 0.944 -1.312 310 HA GLU 37 HA GLU 37 -7.370 1.818 -1.139 311 HB2 GLU 37 2HB GLU 37 -8.874 2.666 -2.841 312 HB3 GLU 37 1HB GLU 37 -9.932 3.387 -1.646 313 HG2 GLU 37 2HG GLU 37 -7.135 4.436 -1.738 314 HG3 GLU 37 1HG GLU 37 -8.146 4.788 -3.133 315 H VAL 38 H VAL 38 -10.112 3.101 0.739 316 HA VAL 38 HA VAL 38 -8.852 4.940 2.377 317 HB VAL 38 HB VAL 38 -11.195 3.122 3.150 318 HG11 VAL 38 1HG1 VAL 38 -10.243 4.199 5.144 319 HG12 VAL 38 2HG1 VAL 38 -11.813 4.910 4.771 320 HG13 VAL 38 3HG1 VAL 38 -10.333 5.781 4.364 321 HG21 VAL 38 1HG2 VAL 38 -11.650 4.371 1.075 322 HG22 VAL 38 2HG2 VAL 38 -11.230 5.887 1.876 323 HG23 VAL 38 3HG2 VAL 38 -12.653 4.981 2.397 324 H SER 39 H SER 39 -9.655 1.569 3.185 325 HA SER 39 HA SER 39 -8.554 1.327 5.689 326 HB2 SER 39 2HB SER 39 -8.698 -0.838 3.544 327 HB3 SER 39 1HB SER 39 -8.633 -1.101 5.288 328 HG SER 39 HG SER 39 -10.660 -0.405 5.496 329 H TYR 40 H TYR 40 -6.975 0.839 2.544 330 HA TYR 40 HA TYR 40 -4.568 -0.302 3.535 331 HB2 TYR 40 2HB TYR 40 -5.407 -0.687 1.226 332 HB3 TYR 40 1HB TYR 40 -5.122 1.008 0.838 333 HD1 TYR 40 HD1 TYR 40 -3.203 1.296 -0.530 334 HD2 TYR 40 HD2 TYR 40 -3.136 -1.752 2.453 335 HE1 TYR 40 HE1 TYR 40 -0.921 0.689 -1.195 336 HE2 TYR 40 HE2 TYR 40 -0.856 -2.350 1.793 337 HH TYR 40 HH TYR 40 1.062 -0.392 -0.194 338 H LEU 41 H LEU 41 -5.465 2.993 2.439 339 HA LEU 41 HA LEU 41 -2.821 4.064 2.743 340 HB2 LEU 41 2HB LEU 41 -5.469 5.535 2.486 341 HB3 LEU 41 1HB LEU 41 -3.879 6.277 2.358 342 HG LEU 41 HG LEU 41 -5.110 4.272 0.434 343 HD11 LEU 41 1HD1 LEU 41 -4.343 7.167 0.027 344 HD12 LEU 41 2HD1 LEU 41 -5.982 6.542 0.234 345 HD13 LEU 41 3HD1 LEU 41 -5.040 6.079 -1.178 346 HD21 LEU 41 1HD2 LEU 41 -2.325 5.480 0.324 347 HD22 LEU 41 2HD2 LEU 41 -3.087 4.519 -0.946 348 HD23 LEU 41 3HD2 LEU 41 -2.723 3.783 0.610 349 H GLN 42 H GLN 42 -5.589 3.801 4.881 350 HA GLN 42 HA GLN 42 -4.606 5.631 6.882 351 HB2 GLN 42 2HB GLN 42 -6.748 3.483 7.181 352 HB3 GLN 42 1HB GLN 42 -6.455 4.819 8.288 353 HG2 GLN 42 2HG GLN 42 -7.455 5.050 5.437 354 HG3 GLN 42 1HG GLN 42 -8.430 5.229 6.887 355 HE21 GLN 42 1HE2 GLN 42 -6.567 6.847 8.358 356 HE22 GLN 42 2HE2 GLN 42 -6.518 8.389 7.587 357 H SER 43 H SER 43 -4.477 2.108 6.332 358 HA SER 43 HA SER 43 -3.136 1.358 8.715 359 HB2 SER 43 2HB SER 43 -3.061 0.079 5.947 360 HB3 SER 43 1HB SER 43 -2.444 -0.678 7.419 361 HG SER 43 HG SER 43 -4.956 -0.585 6.486 362 H ILE 44 H ILE 44 -1.953 2.307 5.510 363 HA ILE 44 HA ILE 44 0.811 2.229 5.824 364 HB ILE 44 HB ILE 44 -1.058 3.896 4.120 365 HG12 ILE 44 2HG1 ILE 44 1.042 1.807 3.392 366 HG13 ILE 44 1HG1 ILE 44 -0.691 1.529 3.506 367 HG21 ILE 44 1HG2 ILE 44 0.815 4.909 2.869 368 HG22 ILE 44 2HG2 ILE 44 1.952 4.259 4.049 369 HG23 ILE 44 3HG2 ILE 44 0.762 5.464 4.541 370 HD11 ILE 44 1HD1 ILE 44 0.686 3.316 1.503 371 HD12 ILE 44 2HD1 ILE 44 -1.055 3.030 1.611 372 HD13 ILE 44 3HD1 ILE 44 0.036 1.705 1.206 373 H GLU 45 H GLU 45 -1.458 4.889 6.458 374 HA GLU 45 HA GLU 45 0.386 6.834 7.256 375 HB2 GLU 45 2HB GLU 45 -1.979 7.315 6.630 376 HB3 GLU 45 1HB GLU 45 -2.530 6.532 8.106 377 HG2 GLU 45 2HG GLU 45 -2.574 8.967 8.350 378 HG3 GLU 45 1HG GLU 45 -1.403 8.251 9.459 379 H THR 46 H THR 46 -1.636 4.656 9.261 380 HA THR 46 HA THR 46 -0.713 5.617 11.738 381 HB THR 46 HB THR 46 -2.901 4.413 11.384 382 HG1 THR 46 HG1 THR 46 -2.370 4.707 13.473 383 HG21 THR 46 1HG2 THR 46 -2.120 2.437 10.113 384 HG22 THR 46 2HG2 THR 46 -2.978 1.956 11.578 385 HG23 THR 46 3HG2 THR 46 -1.216 1.885 11.524 386 H VAL 47 H VAL 47 0.539 3.059 9.607 387 HA VAL 47 HA VAL 47 2.270 1.948 11.626 388 HB VAL 47 HB VAL 47 1.422 0.718 9.473 389 HG11 VAL 47 1HG1 VAL 47 3.007 0.651 7.576 390 HG12 VAL 47 2HG1 VAL 47 3.950 1.948 8.306 391 HG13 VAL 47 3HG1 VAL 47 2.301 2.258 7.763 392 HG21 VAL 47 1HG2 VAL 47 3.337 -0.838 9.563 393 HG22 VAL 47 2HG2 VAL 47 2.848 -0.320 11.177 394 HG23 VAL 47 3HG2 VAL 47 4.285 0.376 10.423 395 H MET 48 H MET 48 2.599 4.351 9.054 396 HA MET 48 HA MET 48 5.464 4.641 9.354 397 HB2 MET 48 2HB MET 48 4.321 4.931 7.165 398 HB3 MET 48 1HB MET 48 3.466 6.329 7.794 399 HG2 MET 48 2HG MET 48 5.460 7.633 7.876 400 HG3 MET 48 1HG MET 48 6.486 6.213 7.676 401 HE1 MET 48 1HE MET 48 5.239 4.592 5.307 402 HE2 MET 48 2HE MET 48 6.951 5.002 5.453 403 HE3 MET 48 3HE MET 48 6.093 5.323 3.946 404 H GLU 49 H GLU 49 2.700 5.919 10.958 405 HA GLU 49 HA GLU 49 4.007 8.243 12.059 406 HB2 GLU 49 2HB GLU 49 1.501 6.734 12.862 407 HB3 GLU 49 1HB GLU 49 2.080 8.143 13.747 408 HG2 GLU 49 2HG GLU 49 1.826 9.535 11.748 409 HG3 GLU 49 1HG GLU 49 1.308 8.129 10.815 410 H LYS 50 H LYS 50 3.793 4.821 13.031 411 HA LYS 50 HA LYS 50 5.382 5.424 15.482 412 HB2 LYS 50 2HB LYS 50 3.280 3.228 15.226 413 HB3 LYS 50 1HB LYS 50 4.333 3.460 16.606 414 HG2 LYS 50 2HG LYS 50 2.291 4.371 17.304 415 HG3 LYS 50 1HG LYS 50 3.242 5.784 16.837 416 HD2 LYS 50 2HD LYS 50 2.060 5.834 14.655 417 HD3 LYS 50 1HD LYS 50 1.110 4.433 15.139 418 HE2 LYS 50 2HE LYS 50 1.076 7.136 16.521 419 HE3 LYS 50 1HE LYS 50 -0.142 6.552 15.385 420 HZ1 LYS 50 1HZ LYS 50 0.521 5.292 17.993 421 HZ2 LYS 50 2HZ LYS 50 -0.651 4.752 16.902 422 HZ3 LYS 50 3HZ LYS 50 -0.840 6.242 17.672 423 H GLN 51 H GLN 51 7.371 4.922 14.829 424 HA GLN 51 HA GLN 51 7.948 2.444 13.333 425 HB2 GLN 51 2HB GLN 51 10.019 4.558 14.023 426 HB3 GLN 51 1HB GLN 51 10.033 3.402 12.703 427 HG2 GLN 51 2HG GLN 51 9.689 5.487 11.677 428 HG3 GLN 51 1HG GLN 51 8.086 4.753 11.718 429 HE21 GLN 51 1HE2 GLN 51 7.164 6.838 11.524 430 HE22 GLN 51 2HE2 GLN 51 7.063 7.925 12.859 431 H THR 52 H THR 52 9.109 0.758 14.311 432 HA THR 52 HA THR 52 9.863 0.905 17.118 433 HB THR 52 HB THR 52 10.815 -1.429 16.682 434 HG1 THR 52 HG1 THR 52 11.244 -1.382 14.510 435 HG21 THR 52 1HG2 THR 52 8.514 -1.159 17.541 436 HG22 THR 52 2HG2 THR 52 8.635 -2.546 16.457 437 HG23 THR 52 3HG2 THR 52 7.906 -1.046 15.885 438 HA PRO 53 HA PRO 53 14.090 2.385 16.673 439 HB2 PRO 53 2HB PRO 53 15.432 0.680 18.478 440 HB3 PRO 53 1HB PRO 53 14.536 2.144 18.938 441 HG2 PRO 53 2HG PRO 53 13.610 -0.715 18.962 442 HG3 PRO 53 1HG PRO 53 13.362 0.558 20.180 443 HD2 PRO 53 2HD PRO 53 11.386 -0.079 18.505 444 HD3 PRO 53 1HD PRO 53 11.683 1.629 18.912 445 HA PRO 54 HA PRO 54 16.334 0.131 13.545 446 HB2 PRO 54 2HB PRO 54 19.005 0.525 14.416 447 HB3 PRO 54 1HB PRO 54 18.059 1.642 13.411 448 HG2 PRO 54 2HG PRO 54 18.501 1.687 16.373 449 HG3 PRO 54 1HG PRO 54 18.470 3.039 15.216 450 HD2 PRO 54 2HD PRO 54 16.358 2.582 16.787 451 HD3 PRO 54 1HD PRO 54 16.109 3.045 15.086 452 H GLY 55 H GLY 55 17.662 -0.521 16.799 453 HA2 GLY 55 2HA GLY 55 18.441 -3.229 16.231 454 HA3 GLY 55 1HA GLY 55 18.375 -2.456 17.807 455 H ILE 56 H ILE 56 16.258 -3.732 15.267 456 HA ILE 56 HA ILE 56 14.191 -4.470 17.234 457 HB ILE 56 HB ILE 56 13.419 -3.160 15.299 458 HG12 ILE 56 2HG1 ILE 56 11.625 -4.729 14.402 459 HG13 ILE 56 1HG1 ILE 56 12.439 -6.048 15.239 460 HG21 ILE 56 1HG2 ILE 56 13.492 -3.994 12.978 461 HG22 ILE 56 2HG2 ILE 56 14.465 -5.367 13.507 462 HG23 ILE 56 3HG2 ILE 56 15.111 -3.730 13.636 463 HD11 ILE 56 1HD1 ILE 56 12.024 -4.958 17.379 464 HD12 ILE 56 2HD1 ILE 56 10.525 -5.203 16.484 465 HD13 ILE 56 3HD1 ILE 56 11.255 -3.600 16.550 466 H THR 57 H THR 57 13.677 -6.654 17.625 467 HA THR 57 HA THR 57 15.821 -8.486 17.362 468 HB THR 57 HB THR 57 14.279 -8.618 19.284 469 HG1 THR 57 HG1 THR 57 14.195 -10.872 19.347 470 HG21 THR 57 1HG2 THR 57 12.128 -8.155 18.156 471 HG22 THR 57 2HG2 THR 57 12.052 -9.660 19.074 472 HG23 THR 57 3HG2 THR 57 12.231 -9.708 17.319 473 H ARG 58 H ARG 58 15.820 -10.627 16.379 474 HA ARG 58 HA ARG 58 15.601 -10.364 13.607 475 HB2 ARG 58 2HB ARG 58 16.472 -12.583 13.384 476 HB3 ARG 58 1HB ARG 58 17.239 -11.880 14.796 477 HG2 ARG 58 2HG ARG 58 14.866 -13.766 14.993 478 HG3 ARG 58 1HG ARG 58 16.534 -14.331 14.952 479 HD2 ARG 58 2HD ARG 58 15.462 -12.402 17.035 480 HD3 ARG 58 1HD ARG 58 15.514 -14.155 17.249 481 HE ARG 58 HE ARG 58 18.061 -12.948 16.553 482 HH11 ARG 58 1HH1 ARG 58 15.984 -13.953 19.226 483 HH12 ARG 58 2HH1 ARG 58 17.291 -14.035 20.361 484 HH21 ARG 58 1HH2 ARG 58 19.747 -13.046 18.089 485 HH22 ARG 58 2HH2 ARG 58 19.408 -13.526 19.720 486 H SER 59 H SER 59 13.345 -11.761 15.898 487 HA SER 59 HA SER 59 11.804 -13.346 14.115 488 HB2 SER 59 2HB SER 59 10.861 -12.079 16.732 489 HB3 SER 59 1HB SER 59 10.249 -13.551 15.971 490 HG SER 59 HG SER 59 12.578 -14.250 16.231 491 H ILE 60 H ILE 60 11.108 -10.171 15.626 492 HA ILE 60 HA ILE 60 8.773 -9.548 14.170 493 HB ILE 60 HB ILE 60 10.720 -7.567 15.459 494 HG12 ILE 60 2HG1 ILE 60 8.204 -8.814 16.664 495 HG13 ILE 60 1HG1 ILE 60 9.854 -9.265 17.081 496 HG21 ILE 60 1HG2 ILE 60 9.190 -6.443 13.881 497 HG22 ILE 60 2HG2 ILE 60 8.786 -5.999 15.538 498 HG23 ILE 60 3HG2 ILE 60 7.796 -7.179 14.676 499 HD11 ILE 60 1HD1 ILE 60 8.598 -6.558 17.552 500 HD12 ILE 60 2HD1 ILE 60 10.248 -7.023 17.978 501 HD13 ILE 60 3HD1 ILE 60 8.879 -7.812 18.760 502 H GLN 61 H GLN 61 12.200 -8.617 13.702 503 HA GLN 61 HA GLN 61 11.870 -6.884 11.538 504 HB2 GLN 61 2HB GLN 61 13.978 -7.031 12.836 505 HB3 GLN 61 1HB GLN 61 14.293 -8.621 12.146 506 HG2 GLN 61 2HG GLN 61 14.334 -7.549 9.860 507 HG3 GLN 61 1HG GLN 61 14.186 -5.978 10.644 508 HE21 GLN 61 1HE2 GLN 61 16.153 -5.295 9.754 509 HE22 GLN 61 2HE2 GLN 61 17.671 -5.884 10.329 510 H ASP 62 H ASP 62 12.393 -10.428 11.592 511 HA ASP 62 HA ASP 62 12.763 -10.748 8.797 512 HB2 ASP 62 2HB ASP 62 13.452 -12.481 10.452 513 HB3 ASP 62 1HB ASP 62 11.758 -12.822 10.791 514 H MET 63 H MET 63 9.889 -11.280 10.893 515 HA MET 63 HA MET 63 8.107 -12.029 8.815 516 HB2 MET 63 2HB MET 63 7.498 -10.782 11.527 517 HB3 MET 63 1HB MET 63 6.274 -11.453 10.452 518 HG2 MET 63 2HG MET 63 7.330 -13.667 10.633 519 HG3 MET 63 1HG MET 63 8.544 -12.999 11.728 520 HE1 MET 63 1HE MET 63 6.569 -10.896 13.348 521 HE2 MET 63 2HE MET 63 7.847 -11.846 14.110 522 HE3 MET 63 3HE MET 63 6.203 -11.896 14.750 523 H VAL 64 H VAL 64 8.674 -8.888 10.362 524 HA VAL 64 HA VAL 64 6.759 -7.395 8.929 525 HB VAL 64 HB VAL 64 9.161 -6.608 10.605 526 HG11 VAL 64 1HG1 VAL 64 8.494 -4.217 10.425 527 HG12 VAL 64 2HG1 VAL 64 7.338 -4.648 9.166 528 HG13 VAL 64 3HG1 VAL 64 9.066 -4.864 8.889 529 HG21 VAL 64 1HG2 VAL 64 7.147 -7.429 11.776 530 HG22 VAL 64 2HG2 VAL 64 6.166 -6.195 10.982 531 HG23 VAL 64 3HG2 VAL 64 7.418 -5.721 12.131 532 H ALA 65 H ALA 65 10.225 -8.008 8.308 533 HA ALA 65 HA ALA 65 10.450 -6.208 6.098 534 HB1 ALA 65 1HB ALA 65 12.603 -7.284 5.620 535 HB2 ALA 65 2HB ALA 65 12.226 -8.571 6.770 536 HB3 ALA 65 3HB ALA 65 12.447 -6.919 7.342 537 H GLY 66 H GLY 66 9.515 -9.587 6.443 538 HA2 GLY 66 2HA GLY 66 9.302 -10.270 3.692 539 HA3 GLY 66 1HA GLY 66 8.422 -11.013 5.019 540 H TYR 67 H TYR 67 7.033 -8.818 6.022 541 HA TYR 67 HA TYR 67 4.804 -8.504 4.274 542 HB2 TYR 67 2HB TYR 67 5.544 -6.971 6.808 543 HB3 TYR 67 1HB TYR 67 3.988 -6.857 5.995 544 HD1 TYR 67 HD1 TYR 67 4.889 -7.841 8.939 545 HD2 TYR 67 HD2 TYR 67 3.548 -9.808 5.381 546 HE1 TYR 67 HE1 TYR 67 4.004 -9.689 10.295 547 HE2 TYR 67 HE2 TYR 67 2.667 -11.655 6.737 548 HH TYR 67 HH TYR 67 2.192 -11.474 10.027 549 H ILE 68 H ILE 68 7.631 -6.574 4.983 550 HA ILE 68 HA ILE 68 6.857 -4.097 3.828 551 HB ILE 68 HB ILE 68 9.468 -5.295 4.775 552 HG12 ILE 68 2HG1 ILE 68 7.967 -2.771 5.595 553 HG13 ILE 68 1HG1 ILE 68 7.946 -4.305 6.451 554 HG21 ILE 68 1HG2 ILE 68 9.359 -2.672 3.264 555 HG22 ILE 68 2HG2 ILE 68 10.206 -4.137 2.772 556 HG23 ILE 68 3HG2 ILE 68 10.745 -3.248 4.194 557 HD11 ILE 68 1HD1 ILE 68 10.318 -2.463 6.132 558 HD12 ILE 68 2HD1 ILE 68 10.348 -4.030 6.947 559 HD13 ILE 68 3HD1 ILE 68 9.356 -2.722 7.588 560 H LYS 69 H LYS 69 8.812 -6.845 2.703 561 HA LYS 69 HA LYS 69 9.424 -5.737 0.148 562 HB2 LYS 69 2HB LYS 69 10.880 -7.391 1.184 563 HB3 LYS 69 1HB LYS 69 9.590 -8.587 1.195 564 HG2 LYS 69 2HG LYS 69 9.674 -8.857 -1.177 565 HG3 LYS 69 1HG LYS 69 10.641 -7.397 -1.387 566 HD2 LYS 69 2HD LYS 69 11.622 -9.904 0.029 567 HD3 LYS 69 1HD LYS 69 11.931 -9.539 -1.672 568 HE2 LYS 69 2HE LYS 69 13.136 -7.472 -1.006 569 HE3 LYS 69 1HE LYS 69 12.833 -7.845 0.694 570 HZ1 LYS 69 1HZ LYS 69 14.455 -9.449 -1.202 571 HZ2 LYS 69 2HZ LYS 69 14.088 -9.911 0.381 572 HZ3 LYS 69 3HZ LYS 69 15.020 -8.529 0.103 573 H GLN 70 H GLN 70 6.938 -7.948 1.388 574 HA GLN 70 HA GLN 70 5.658 -8.641 -1.017 575 HB2 GLN 70 2HB GLN 70 5.097 -9.847 1.019 576 HB3 GLN 70 1HB GLN 70 4.567 -8.373 1.814 577 HG2 GLN 70 2HG GLN 70 2.603 -9.623 1.238 578 HG3 GLN 70 1HG GLN 70 2.669 -8.226 0.173 579 HE21 GLN 70 1HE2 GLN 70 1.180 -10.665 -0.192 580 HE22 GLN 70 2HE2 GLN 70 1.725 -11.383 -1.667 581 H THR 71 H THR 71 4.978 -5.964 1.285 582 HA THR 71 HA THR 71 2.790 -4.999 -0.266 583 HB THR 71 HB THR 71 2.945 -4.703 2.234 584 HG1 THR 71 HG1 THR 71 2.438 -2.468 0.536 585 HG21 THR 71 1HG2 THR 71 5.260 -3.833 2.446 586 HG22 THR 71 2HG2 THR 71 4.082 -2.711 3.132 587 HG23 THR 71 3HG2 THR 71 4.798 -2.382 1.553 588 H LEU 72 H LEU 72 6.226 -4.096 -0.070 589 HA LEU 72 HA LEU 72 6.014 -1.697 -1.581 590 HB2 LEU 72 2HB LEU 72 8.329 -3.489 -0.849 591 HB3 LEU 72 1HB LEU 72 8.569 -2.219 -2.038 592 HG LEU 72 HG LEU 72 7.725 -1.826 0.856 593 HD11 LEU 72 1HD1 LEU 72 9.886 -0.674 1.103 594 HD12 LEU 72 2HD1 LEU 72 10.305 -1.099 -0.560 595 HD13 LEU 72 3HD1 LEU 72 10.092 -2.366 0.650 596 HD21 LEU 72 1HD2 LEU 72 6.579 -0.190 -0.524 597 HD22 LEU 72 2HD2 LEU 72 8.083 0.230 -1.352 598 HD23 LEU 72 3HD2 LEU 72 7.876 0.603 0.358 599 H ASP 73 H ASP 73 6.653 -5.076 -2.457 600 HA ASP 73 HA ASP 73 7.140 -4.672 -5.219 601 HB2 ASP 73 2HB ASP 73 7.765 -6.765 -4.088 602 HB3 ASP 73 1HB ASP 73 6.080 -7.112 -3.718 603 H ASN 74 H ASN 74 4.221 -5.642 -3.437 604 HA ASN 74 HA ASN 74 2.565 -5.927 -5.740 605 HB2 ASN 74 2HB ASN 74 1.913 -5.885 -2.764 606 HB3 ASN 74 1HB ASN 74 0.702 -6.173 -4.008 607 HD21 ASN 74 1HD2 ASN 74 4.026 -7.471 -4.124 608 HD22 ASN 74 2HD2 ASN 74 3.554 -9.110 -3.916 609 H GLU 75 H GLU 75 3.167 -3.316 -3.474 610 HA GLU 75 HA GLU 75 0.963 -1.674 -4.355 611 HB2 GLU 75 2HB GLU 75 1.825 -1.423 -2.062 612 HB3 GLU 75 1HB GLU 75 3.383 -0.903 -2.697 613 HG2 GLU 75 2HG GLU 75 2.059 0.998 -3.854 614 HG3 GLU 75 1HG GLU 75 0.734 0.543 -2.788 615 H GLN 76 H GLN 76 4.494 -1.810 -5.015 616 HA GLN 76 HA GLN 76 4.592 0.494 -6.665 617 HB2 GLN 76 2HB GLN 76 6.640 -0.587 -5.785 618 HB3 GLN 76 1HB GLN 76 6.339 -1.998 -6.794 619 HG2 GLN 76 2HG GLN 76 6.657 -0.647 -8.822 620 HG3 GLN 76 1HG GLN 76 6.871 0.801 -7.839 621 HE21 GLN 76 1HE2 GLN 76 8.691 -0.410 -9.779 622 HE22 GLN 76 2HE2 GLN 76 10.162 -0.714 -8.923 623 H LEU 77 H LEU 77 3.781 -2.881 -7.294 624 HA LEU 77 HA LEU 77 3.347 -2.661 -10.092 625 HB2 LEU 77 2HB LEU 77 2.459 -4.626 -7.973 626 HB3 LEU 77 1HB LEU 77 1.894 -4.774 -9.631 627 HG LEU 77 HG LEU 77 4.825 -4.820 -8.821 628 HD11 LEU 77 1HD1 LEU 77 3.706 -6.788 -7.929 629 HD12 LEU 77 2HD1 LEU 77 4.753 -7.235 -9.274 630 HD13 LEU 77 3HD1 LEU 77 3.006 -7.142 -9.512 631 HD21 LEU 77 1HD2 LEU 77 3.475 -5.388 -11.483 632 HD22 LEU 77 2HD2 LEU 77 5.193 -5.623 -11.135 633 HD23 LEU 77 3HD2 LEU 77 4.504 -4.002 -11.096 634 H LEU 78 H LEU 78 1.149 -2.358 -7.256 635 HA LEU 78 HA LEU 78 -1.239 -1.699 -8.573 636 HB2 LEU 78 2HB LEU 78 -0.100 -0.993 -5.866 637 HB3 LEU 78 1HB LEU 78 -1.578 -0.199 -6.379 638 HG LEU 78 HG LEU 78 -1.315 -3.227 -6.257 639 HD11 LEU 78 1HD1 LEU 78 -2.464 -3.182 -4.107 640 HD12 LEU 78 2HD1 LEU 78 -2.453 -1.417 -4.103 641 HD13 LEU 78 3HD1 LEU 78 -0.933 -2.311 -3.994 642 HD21 LEU 78 1HD2 LEU 78 -3.102 -2.390 -7.715 643 HD22 LEU 78 2HD2 LEU 78 -3.729 -1.384 -6.405 644 HD23 LEU 78 3HD2 LEU 78 -3.783 -3.141 -6.274 645 H LYS 79 H LYS 79 1.513 0.318 -7.716 646 HA LYS 79 HA LYS 79 0.312 2.838 -8.162 647 HB2 LYS 79 2HB LYS 79 2.464 2.118 -6.751 648 HB3 LYS 79 1HB LYS 79 3.315 2.429 -8.251 649 HG2 LYS 79 2HG LYS 79 1.603 4.455 -6.778 650 HG3 LYS 79 1HG LYS 79 3.354 4.317 -6.612 651 HD2 LYS 79 2HD LYS 79 3.622 4.887 -9.009 652 HD3 LYS 79 1HD LYS 79 1.870 5.003 -9.185 653 HE2 LYS 79 2HE LYS 79 1.854 6.865 -7.548 654 HE3 LYS 79 1HE LYS 79 3.611 6.760 -7.426 655 HZ1 LYS 79 1HZ LYS 79 3.769 7.318 -9.759 656 HZ2 LYS 79 2HZ LYS 79 2.919 8.510 -8.909 657 HZ3 LYS 79 3HZ LYS 79 2.079 7.410 -9.881 658 H GLY 80 H GLY 80 2.464 0.749 -10.040 659 HA2 GLY 80 2HA GLY 80 2.793 2.505 -12.271 660 HA3 GLY 80 1HA GLY 80 3.256 0.811 -12.182 661 H LEU 81 H LEU 81 0.756 -0.343 -11.638 662 HA LEU 81 HA LEU 81 -0.353 -0.632 -14.222 663 HB2 LEU 81 2HB LEU 81 -0.353 -2.401 -12.472 664 HB3 LEU 81 1HB LEU 81 -1.487 -1.471 -11.518 665 HG LEU 81 HG LEU 81 -2.285 -2.417 -14.296 666 HD11 LEU 81 1HD1 LEU 81 -3.213 -4.489 -13.355 667 HD12 LEU 81 2HD1 LEU 81 -2.487 -4.111 -11.789 668 HD13 LEU 81 3HD1 LEU 81 -1.458 -4.434 -13.187 669 HD21 LEU 81 1HD2 LEU 81 -4.568 -2.437 -13.328 670 HD22 LEU 81 2HD2 LEU 81 -3.818 -0.849 -13.191 671 HD23 LEU 81 3HD2 LEU 81 -3.909 -1.900 -11.777 672 H LEU 82 H LEU 82 -1.484 1.032 -11.299 673 HA LEU 82 HA LEU 82 -3.944 1.942 -12.480 674 HB2 LEU 82 2HB LEU 82 -2.597 2.445 -9.820 675 HB3 LEU 82 1HB LEU 82 -4.108 3.230 -10.256 676 HG LEU 82 HG LEU 82 -3.843 0.199 -10.295 677 HD11 LEU 82 1HD1 LEU 82 -4.718 1.867 -7.929 678 HD12 LEU 82 2HD1 LEU 82 -3.248 0.891 -8.034 679 HD13 LEU 82 3HD1 LEU 82 -4.829 0.107 -8.062 680 HD21 LEU 82 1HD2 LEU 82 -6.240 2.034 -10.045 681 HD22 LEU 82 2HD2 LEU 82 -6.276 0.267 -10.090 682 HD23 LEU 82 3HD2 LEU 82 -5.741 1.169 -11.505 683 H GLN 83 H GLN 83 -0.708 3.281 -12.112 684 HA GLN 83 HA GLN 83 -1.325 5.967 -12.810 685 HB2 GLN 83 2HB GLN 83 0.970 4.938 -11.990 686 HB3 GLN 83 1HB GLN 83 1.254 4.604 -13.687 687 HG2 GLN 83 2HG GLN 83 0.749 7.349 -12.501 688 HG3 GLN 83 1HG GLN 83 2.336 6.697 -12.880 689 HE21 GLN 83 1HE2 GLN 83 1.554 5.536 -15.458 690 HE22 GLN 83 2HE2 GLN 83 1.319 6.866 -16.530 691 H GLN 84 H GLN 84 -0.269 3.152 -14.705 692 HA GLN 84 HA GLN 84 -0.472 4.192 -17.301 693 HB2 GLN 84 2HB GLN 84 0.687 2.039 -16.492 694 HB3 GLN 84 1HB GLN 84 -0.887 1.271 -16.502 695 HG2 GLN 84 2HG GLN 84 0.286 2.513 -19.006 696 HG3 GLN 84 1HG GLN 84 0.720 0.888 -18.503 697 HE21 GLN 84 1HE2 GLN 84 -1.748 2.877 -19.942 698 HE22 GLN 84 2HE2 GLN 84 -2.824 1.593 -20.366 699 H ARG 85 H ARG 85 -2.833 2.729 -15.165 700 HA ARG 85 HA ARG 85 -4.882 2.229 -17.065 701 HB2 ARG 85 2HB ARG 85 -4.695 0.994 -14.917 702 HB3 ARG 85 1HB ARG 85 -5.041 2.472 -14.032 703 HG2 ARG 85 2HG ARG 85 -6.991 0.922 -14.185 704 HG3 ARG 85 1HG ARG 85 -7.315 2.522 -14.859 705 HD2 ARG 85 2HD ARG 85 -8.198 0.596 -16.235 706 HD3 ARG 85 1HD ARG 85 -7.141 1.707 -17.112 707 HE ARG 85 HE ARG 85 -5.888 -0.680 -15.980 708 HH11 ARG 85 1HH1 ARG 85 -7.237 0.839 -18.849 709 HH12 ARG 85 2HH1 ARG 85 -6.444 -0.239 -19.943 710 HH21 ARG 85 1HH2 ARG 85 -4.825 -2.068 -17.436 711 HH22 ARG 85 2HH2 ARG 85 -5.081 -1.885 -19.140 712 H LEU 86 H LEU 86 -4.536 4.758 -14.523 713 HA LEU 86 HA LEU 86 -6.908 6.161 -15.224 714 HB2 LEU 86 2HB LEU 86 -4.473 7.052 -13.647 715 HB3 LEU 86 1HB LEU 86 -5.936 8.017 -13.797 716 HG LEU 86 HG LEU 86 -5.771 5.273 -12.491 717 HD11 LEU 86 1HD1 LEU 86 -6.075 7.978 -11.171 718 HD12 LEU 86 2HD1 LEU 86 -4.602 7.005 -11.199 719 HD13 LEU 86 3HD1 LEU 86 -6.030 6.404 -10.373 720 HD21 LEU 86 1HD2 LEU 86 -7.980 5.649 -13.481 721 HD22 LEU 86 2HD2 LEU 86 -8.112 7.205 -12.656 722 HD23 LEU 86 3HD2 LEU 86 -8.077 5.707 -11.723 723 H ASP 87 H ASP 87 -3.522 6.508 -16.145 724 HA ASP 87 HA ASP 87 -3.681 8.932 -17.595 725 HB2 ASP 87 2HB ASP 87 -1.510 8.067 -16.871 726 HB3 ASP 87 1HB ASP 87 -1.737 6.590 -17.804 727 H GLU 88 H GLU 88 -3.971 5.515 -18.593 728 HA GLU 88 HA GLU 88 -4.321 5.934 -21.365 729 HB2 GLU 88 2HB GLU 88 -3.786 3.709 -20.404 730 HB3 GLU 88 1HB GLU 88 -5.380 3.646 -19.655 731 HG2 GLU 88 2HG GLU 88 -6.397 3.767 -21.952 732 HG3 GLU 88 1HG GLU 88 -4.775 3.650 -22.629 733 H LEU 89 H LEU 89 -6.734 5.322 -18.791 734 HA LEU 89 HA LEU 89 -9.113 5.568 -20.152 735 HB2 LEU 89 2HB LEU 89 -8.424 6.402 -17.308 736 HB3 LEU 89 1HB LEU 89 -10.075 6.384 -17.915 737 HG LEU 89 HG LEU 89 -8.281 3.926 -17.738 738 HD11 LEU 89 1HD1 LEU 89 -9.645 3.234 -15.822 739 HD12 LEU 89 2HD1 LEU 89 -10.516 4.769 -15.874 740 HD13 LEU 89 3HD1 LEU 89 -8.790 4.742 -15.498 741 HD21 LEU 89 1HD2 LEU 89 -11.248 4.138 -18.352 742 HD22 LEU 89 2HD2 LEU 89 -10.326 2.640 -18.178 743 HD23 LEU 89 3HD2 LEU 89 -9.973 3.740 -19.509 744 H SER 90 H SER 90 -7.308 8.202 -18.534 745 HA SER 90 HA SER 90 -9.065 10.296 -19.318 746 HB2 SER 90 2HB SER 90 -7.256 11.805 -18.488 747 HB3 SER 90 1HB SER 90 -7.647 10.525 -17.339 748 HG SER 90 HG SER 90 -5.661 9.895 -17.470 749 H SER 91 H SER 91 -6.299 8.787 -20.859 750 HA SER 91 HA SER 91 -5.905 10.746 -22.909 751 HB2 SER 91 2HB SER 91 -4.126 9.143 -22.296 752 HB3 SER 91 1HB SER 91 -5.132 7.798 -22.829 753 HG SER 91 HG SER 91 -3.830 9.767 -24.356 754 H LEU 92 H LEU 92 -7.991 7.890 -22.566 755 HA LEU 92 HA LEU 92 -8.807 7.753 -25.329 756 HB2 LEU 92 2HB LEU 92 -10.251 6.568 -22.924 757 HB3 LEU 92 1HB LEU 92 -10.445 6.090 -24.603 758 HG LEU 92 HG LEU 92 -8.073 5.565 -22.790 759 HD11 LEU 92 1HD1 LEU 92 -9.939 3.643 -24.180 760 HD12 LEU 92 2HD1 LEU 92 -9.907 4.035 -22.458 761 HD13 LEU 92 3HD1 LEU 92 -8.537 3.209 -23.192 762 HD21 LEU 92 1HD2 LEU 92 -8.209 4.995 -25.764 763 HD22 LEU 92 2HD2 LEU 92 -6.953 4.432 -24.654 764 HD23 LEU 92 3HD2 LEU 92 -7.148 6.154 -24.952 765 H ILE 93 H ILE 93 -10.181 9.013 -22.334 766 HA ILE 93 HA ILE 93 -12.701 9.865 -23.426 767 HB ILE 93 HB ILE 93 -11.397 10.560 -20.753 768 HG12 ILE 93 2HG1 ILE 93 -13.469 8.371 -21.224 769 HG13 ILE 93 1HG1 ILE 93 -11.741 8.051 -21.273 770 HG21 ILE 93 1HG2 ILE 93 -13.691 11.031 -19.945 771 HG22 ILE 93 2HG2 ILE 93 -14.324 10.721 -21.563 772 HG23 ILE 93 3HG2 ILE 93 -13.249 12.092 -21.284 773 HD11 ILE 93 1HD1 ILE 93 -12.682 7.446 -19.132 774 HD12 ILE 93 2HD1 ILE 93 -13.272 9.092 -18.897 775 HD13 ILE 93 3HD1 ILE 93 -11.537 8.775 -18.952 776 H GLY 94 H GLY 94 -9.608 11.406 -22.630 777 HA2 GLY 94 2HA GLY 94 -8.755 13.337 -23.724 778 HA3 GLY 94 1HA GLY 94 -10.395 13.880 -24.049 779 H GLN 95 H GLN 95 -9.333 12.698 -20.939 780 HA GLN 95 HA GLN 95 -9.849 15.241 -19.596 781 HB2 GLN 95 2HB GLN 95 -9.181 12.484 -18.496 782 HB3 GLN 95 1HB GLN 95 -9.652 13.876 -17.529 783 HG2 GLN 95 2HG GLN 95 -11.861 13.879 -18.503 784 HG3 GLN 95 1HG GLN 95 -11.413 12.604 -19.637 785 HE21 GLN 95 1HE2 GLN 95 -13.536 12.682 -17.610 786 HE22 GLN 95 2HE2 GLN 95 -13.276 11.315 -16.590 787 H VAL 96 H VAL 96 -7.123 13.468 -20.746 788 HA VAL 96 HA VAL 96 -5.079 14.502 -19.059 789 HB VAL 96 HB VAL 96 -3.529 14.091 -21.070 790 HG11 VAL 96 1HG1 VAL 96 -3.829 12.369 -19.346 791 HG12 VAL 96 2HG1 VAL 96 -3.644 11.634 -20.939 792 HG13 VAL 96 3HG1 VAL 96 -5.242 11.741 -20.198 793 HG21 VAL 96 1HG2 VAL 96 -6.076 13.017 -22.359 794 HG22 VAL 96 2HG2 VAL 96 -4.443 12.844 -23.007 795 HG23 VAL 96 3HG2 VAL 96 -5.173 14.443 -22.880 796 H LEU 97 H LEU 97 -3.925 16.410 -19.148 797 HA LEU 97 HA LEU 97 -4.636 18.398 -21.228 798 HB2 LEU 97 2HB LEU 97 -3.680 18.808 -18.374 799 HB3 LEU 97 1HB LEU 97 -3.590 20.084 -19.567 800 HG LEU 97 HG LEU 97 -5.545 20.516 -18.278 801 HD11 LEU 97 1HD1 LEU 97 -5.815 20.891 -20.673 802 HD12 LEU 97 2HD1 LEU 97 -7.344 20.449 -19.918 803 HD13 LEU 97 3HD1 LEU 97 -6.461 19.259 -20.878 804 HD21 LEU 97 1HD2 LEU 97 -5.845 18.317 -17.229 805 HD22 LEU 97 2HD2 LEU 97 -6.481 17.664 -18.739 806 HD23 LEU 97 3HD2 LEU 97 -7.367 18.926 -17.878 807 H PHE 98 H PHE 98 -2.711 20.015 -21.494 808 HA PHE 98 HA PHE 98 -0.757 18.399 -22.897 809 HB2 PHE 98 2HB PHE 98 -1.040 21.439 -22.844 810 HB3 PHE 98 1HB PHE 98 -0.141 20.490 -24.024 811 HD1 PHE 98 HD1 PHE 98 -3.550 21.370 -22.832 812 HD2 PHE 98 HD2 PHE 98 -1.276 19.436 -25.904 813 HE1 PHE 98 HE1 PHE 98 -5.559 21.230 -24.232 814 HE2 PHE 98 HE2 PHE 98 -3.302 19.302 -27.295 815 HZ PHE 98 HZ PHE 98 -5.442 20.198 -26.454 816 H GLN 99 H GLN 99 -0.859 19.839 -19.855 817 HA GLN 99 HA GLN 99 2.085 19.645 -19.527 818 HB2 GLN 99 2HB GLN 99 1.417 22.024 -19.434 819 HB3 GLN 99 1HB GLN 99 0.203 21.667 -18.213 820 HG2 GLN 99 2HG GLN 99 2.176 22.703 -17.189 821 HG3 GLN 99 1HG GLN 99 1.980 21.052 -16.609 822 HE21 GLN 99 1HE2 GLN 99 3.934 23.185 -18.564 823 HE22 GLN 99 2HE2 GLN 99 5.285 22.123 -18.733 824 H GLY 100 H GLY 100 2.757 18.513 -17.763 825 HA2 GLY 100 2HA GLY 100 2.671 17.558 -15.631 826 HA3 GLY 100 1HA GLY 100 0.927 17.727 -15.605 827 HA PRO 101 HA PRO 101 2.181 13.358 -17.363 828 HB2 PRO 101 2HB PRO 101 3.489 11.970 -15.392 829 HB3 PRO 101 1HB PRO 101 4.362 12.945 -16.593 830 HG2 PRO 101 2HG PRO 101 3.644 13.661 -13.761 831 HG3 PRO 101 1HG PRO 101 5.175 13.917 -14.633 832 HD2 PRO 101 2HD PRO 101 3.311 15.906 -14.313 833 HD3 PRO 101 1HD PRO 101 4.400 15.826 -15.712 834 H SER 102 H SER 102 1.423 14.271 -14.034 835 HA SER 102 HA SER 102 -1.233 13.111 -14.257 836 HB2 SER 102 2HB SER 102 -1.051 12.074 -11.935 837 HB3 SER 102 1HB SER 102 -0.096 11.252 -13.167 838 HG SER 102 HG SER 102 1.729 11.974 -12.287 839 H ALA 103 H ALA 103 0.702 14.387 -11.509 840 HA ALA 103 HA ALA 103 0.420 16.097 -10.083 841 HB1 ALA 103 1HB ALA 103 1.344 17.315 -12.008 842 HB2 ALA 103 2HB ALA 103 0.268 18.341 -11.055 843 HB3 ALA 103 3HB ALA 103 -0.288 17.654 -12.585 844 H GLY 104 H GLY 104 -2.194 17.217 -12.225 845 HA2 GLY 104 2HA GLY 104 -4.303 16.331 -10.416 846 HA3 GLY 104 1HA GLY 104 -4.079 18.077 -10.535 847 H LEU 105 H LEU 105 -3.714 15.622 -13.093 848 HA LEU 105 HA LEU 105 -5.435 16.974 -14.952 849 HB2 LEU 105 2HB LEU 105 -4.403 14.106 -15.060 850 HB3 LEU 105 1HB LEU 105 -5.176 14.955 -16.389 851 HG LEU 105 HG LEU 105 -2.448 15.519 -15.191 852 HD11 LEU 105 1HD1 LEU 105 -3.230 14.623 -17.968 853 HD12 LEU 105 2HD1 LEU 105 -2.466 13.638 -16.717 854 HD13 LEU 105 3HD1 LEU 105 -1.592 14.997 -17.419 855 HD21 LEU 105 1HD2 LEU 105 -3.474 17.671 -15.659 856 HD22 LEU 105 2HD2 LEU 105 -3.890 17.149 -17.295 857 HD23 LEU 105 3HD2 LEU 105 -2.197 17.337 -16.826 858 H VAL 106 H VAL 106 -7.172 15.483 -16.092 859 HA VAL 106 HA VAL 106 -9.278 14.727 -16.095 860 HB VAL 106 HB VAL 106 -8.772 13.583 -13.312 861 HG11 VAL 106 1HG1 VAL 106 -10.744 12.127 -13.759 862 HG12 VAL 106 2HG1 VAL 106 -11.038 13.001 -15.264 863 HG13 VAL 106 3HG1 VAL 106 -11.179 13.837 -13.716 864 HG21 VAL 106 1HG2 VAL 106 -8.611 12.197 -16.022 865 HG22 VAL 106 2HG2 VAL 106 -8.433 11.406 -14.453 866 HG23 VAL 106 3HG2 VAL 106 -7.245 12.599 -14.978 867 HA PRO 107 HA PRO 107 -10.918 18.526 -14.031 868 HB2 PRO 107 2HB PRO 107 -12.919 18.182 -16.243 869 HB3 PRO 107 1HB PRO 107 -11.995 19.626 -15.779 870 HG2 PRO 107 2HG PRO 107 -11.371 18.301 -18.003 871 HG3 PRO 107 1HG PRO 107 -10.096 18.972 -16.957 872 HD2 PRO 107 2HD PRO 107 -11.066 16.120 -17.143 873 HD3 PRO 107 1HD PRO 107 -9.398 16.734 -17.061 874 H ARG 108 H ARG 108 -11.983 18.006 -12.207 875 HA ARG 108 HA ARG 108 -13.538 15.627 -11.920 876 HB2 ARG 108 2HB ARG 108 -12.984 17.941 -10.023 877 HB3 ARG 108 1HB ARG 108 -13.917 16.517 -9.567 878 HG2 ARG 108 2HG ARG 108 -11.930 15.089 -10.082 879 HG3 ARG 108 1HG ARG 108 -10.995 16.554 -10.410 880 HD2 ARG 108 2HD ARG 108 -10.589 15.693 -8.127 881 HD3 ARG 108 1HD ARG 108 -11.328 17.300 -8.092 882 HE ARG 108 HE ARG 108 -12.967 14.847 -7.772 883 HH11 ARG 108 1HH1 ARG 108 -11.915 17.949 -6.481 884 HH12 ARG 108 2HH1 ARG 108 -13.057 17.925 -5.180 885 HH21 ARG 108 1HH2 ARG 108 -14.464 14.847 -6.080 886 HH22 ARG 108 2HH2 ARG 108 -14.505 16.164 -4.949 887 H GLY 109 H GLY 109 -15.552 15.416 -12.609 888 HA2 GLY 109 2HA GLY 109 -17.416 17.617 -12.960 889 HA3 GLY 109 1HA GLY 109 -17.707 15.915 -13.294 890 H SER 110 H SER 110 -18.703 14.630 -11.746 891 HA SER 110 HA SER 110 -19.066 15.452 -9.006 892 HB2 SER 110 2HB SER 110 -21.625 15.590 -9.221 893 HB3 SER 110 1HB SER 110 -20.732 16.949 -9.903 894 HG SER 110 HG SER 110 -21.078 16.158 -11.939 895 H GLY 111 H GLY 111 -18.230 13.419 -8.539 896 HA2 GLY 111 2HA GLY 111 -18.444 11.288 -7.723 897 HA3 GLY 111 1HA GLY 111 -20.140 11.324 -8.180 898 H GLY 112 H GLY 112 -19.291 8.976 -8.511 899 HA2 GLY 112 2HA GLY 112 -19.093 7.226 -9.959 900 HA3 GLY 112 1HA GLY 112 -19.432 8.346 -11.271 901 H ILE 113 H ILE 113 -17.848 8.563 -12.720 902 HA ILE 113 HA ILE 113 -15.271 7.438 -12.521 903 HB ILE 113 HB ILE 113 -16.312 7.790 -14.690 904 HG12 ILE 113 2HG1 ILE 113 -13.794 9.497 -14.449 905 HG13 ILE 113 1HG1 ILE 113 -13.847 7.755 -14.681 906 HG21 ILE 113 1HG2 ILE 113 -16.149 10.781 -14.196 907 HG22 ILE 113 2HG2 ILE 113 -17.617 9.801 -14.242 908 HG23 ILE 113 3HG2 ILE 113 -16.655 10.013 -15.703 909 HD11 ILE 113 1HD1 ILE 113 -14.779 9.835 -16.653 910 HD12 ILE 113 2HD1 ILE 113 -14.848 8.084 -16.884 911 HD13 ILE 113 3HD1 ILE 113 -13.291 8.893 -16.724 912 H GLU 114 H GLU 114 -16.468 10.702 -11.856 913 HA GLU 114 HA GLU 114 -14.046 12.079 -11.494 914 HB2 GLU 114 2HB GLU 114 -16.242 13.209 -11.640 915 HB3 GLU 114 1HB GLU 114 -16.749 12.472 -10.131 916 HG2 GLU 114 2HG GLU 114 -14.302 14.190 -10.060 917 HG3 GLU 114 1HG GLU 114 -15.837 15.003 -10.314 918 H GLY 115 H GLY 115 -16.106 10.290 -9.208 919 HA2 GLY 115 2HA GLY 115 -14.597 10.624 -6.867 920 HA3 GLY 115 1HA GLY 115 -15.739 9.323 -7.179 921 H MET1001 H MET 1 -14.578 8.043 -9.312 922 HA MET1001 HA MET 1 -12.755 6.264 -8.209 923 HB2 MET1001 2HB MET 1 -14.103 5.743 -10.222 924 HB3 MET1001 1HB MET 1 -13.205 6.935 -11.154 925 HG2 MET1001 2HG MET 1 -11.117 5.545 -10.723 926 HG3 MET1001 1HG MET 1 -12.177 4.308 -10.049 927 HE1 MET1001 1HE MET 1 -12.725 6.699 -13.218 928 HE2 MET1001 2HE MET 1 -12.144 5.626 -14.491 929 HE3 MET1001 3HE MET 1 -11.026 6.229 -13.265 930 H THR1002 H THR 2 -12.139 8.966 -10.468 931 HA THR1002 HA THR 2 -9.356 8.463 -10.708 932 HB THR1002 HB THR 2 -9.288 10.784 -11.791 933 HG1 THR1002 HG1 THR 2 -12.090 10.763 -11.880 934 HG21 THR1002 1HG2 THR 2 -9.585 8.733 -13.122 935 HG22 THR1002 2HG2 THR 2 -10.502 10.079 -13.804 936 HG23 THR1002 3HG2 THR 2 -11.333 8.824 -12.880 937 H THR1003 H THR 3 -11.198 10.934 -8.820 938 HA THR1003 HA THR 3 -8.892 12.263 -7.855 939 HB THR1003 HB THR 3 -11.137 13.332 -7.838 940 HG1 THR1003 HG1 THR 3 -9.273 13.408 -5.876 941 HG21 THR1003 1HG2 THR 3 -12.501 11.442 -6.968 942 HG22 THR1003 2HG2 THR 3 -12.733 12.917 -6.029 943 HG23 THR1003 3HG2 THR 3 -11.720 11.617 -5.393 944 H ARG1004 H ARG 4 -10.800 9.565 -6.496 945 HA ARG1004 HA ARG 4 -9.402 9.451 -4.005 946 HB2 ARG1004 2HB ARG 4 -11.145 7.402 -5.427 947 HB3 ARG1004 1HB ARG 4 -10.438 7.123 -3.836 948 HG2 ARG1004 2HG ARG 4 -11.635 9.183 -3.022 949 HG3 ARG1004 1HG ARG 4 -12.452 9.264 -4.584 950 HD2 ARG1004 2HD ARG 4 -13.357 6.960 -4.144 951 HD3 ARG1004 1HD ARG 4 -12.639 7.040 -2.529 952 HE ARG1004 HE ARG 4 -14.661 8.967 -3.492 953 HH11 ARG1004 1HH1 ARG 4 -13.539 6.831 -0.930 954 HH12 ARG1004 2HH1 ARG 4 -14.807 7.291 0.152 955 HH21 ARG1004 1HH2 ARG 4 -16.333 9.501 -2.078 956 HH22 ARG1004 2HH2 ARG 4 -16.387 8.800 -0.492 957 H LEU1005 H LEU 5 -8.992 7.830 -7.145 958 HA LEU1005 HA LEU 5 -6.856 6.136 -6.226 959 HB2 LEU1005 2HB LEU 5 -8.009 6.647 -8.965 960 HB3 LEU1005 1HB LEU 5 -6.536 5.713 -8.771 961 HG LEU1005 HG LEU 5 -9.268 4.991 -7.655 962 HD11 LEU1005 1HD1 LEU 5 -9.200 3.115 -9.227 963 HD12 LEU1005 2HD1 LEU 5 -7.658 3.693 -9.869 964 HD13 LEU1005 3HD1 LEU 5 -9.120 4.664 -10.067 965 HD21 LEU1005 1HD2 LEU 5 -7.519 4.255 -6.098 966 HD22 LEU1005 2HD2 LEU 5 -6.659 3.446 -7.412 967 HD23 LEU1005 3HD2 LEU 5 -8.253 2.876 -6.909 968 H THR1006 H THR 6 -6.928 9.402 -7.535 969 HA THR1006 HA THR 6 -4.102 9.422 -8.202 970 HB THR1006 HB THR 6 -4.406 11.963 -8.333 971 HG1 THR1006 HG1 THR 6 -7.176 11.565 -8.324 972 HG21 THR1006 1HG2 THR 6 -6.318 10.298 -10.016 973 HG22 THR1006 2HG2 THR 6 -4.602 10.537 -10.352 974 HG23 THR1006 3HG2 THR 6 -5.712 11.907 -10.422 975 H ARG1007 H ARG 7 -6.132 10.674 -5.530 976 HA ARG1007 HA ARG 7 -4.123 11.487 -3.752 977 HB2 ARG1007 2HB ARG 7 -6.828 10.194 -3.206 978 HB3 ARG1007 1HB ARG 7 -5.799 10.820 -1.924 979 HG2 ARG1007 2HG ARG 7 -7.018 12.454 -4.173 980 HG3 ARG1007 1HG ARG 7 -7.596 12.389 -2.504 981 HD2 ARG1007 2HD ARG 7 -4.973 13.524 -3.513 982 HD3 ARG1007 1HD ARG 7 -6.302 14.401 -2.759 983 HE ARG1007 HE ARG 7 -5.705 12.881 -0.733 984 HH11 ARG1007 1HH1 ARG 7 -3.379 14.337 -2.944 985 HH12 ARG1007 2HH1 ARG 7 -2.118 14.405 -1.755 986 HH21 ARG1007 1HH2 ARG 7 -4.015 12.921 0.784 987 HH22 ARG1007 2HH2 ARG 7 -2.481 13.603 0.355 988 H TRP1008 H TRP 8 -5.468 8.303 -4.396 989 HA TRP1008 HA TRP 8 -4.079 6.755 -2.524 990 HB2 TRP1008 2HB TRP 8 -5.884 5.622 -3.430 991 HB3 TRP1008 1HB TRP 8 -5.629 6.269 -5.026 992 HD1 TRP1008 HD1 TRP 8 -3.855 4.949 -6.620 993 HE1 TRP1008 HE1 TRP 8 -3.248 2.469 -6.685 994 HE3 TRP1008 HE3 TRP 8 -5.565 3.558 -2.014 995 HZ2 TRP1008 HZ2 TRP 8 -3.507 0.201 -5.073 996 HZ3 TRP1008 HZ3 TRP 8 -5.369 1.196 -1.367 997 HH2 TRP1008 HH2 TRP 8 -4.359 -0.451 -2.866 998 H LEU1009 H LEU 9 -3.250 7.458 -5.976 999 HA LEU1009 HA LEU 9 -0.918 5.861 -6.051 1000 HB2 LEU1009 2HB LEU 9 -1.731 8.205 -7.811 1001 HB3 LEU1009 1HB LEU 9 -0.297 7.237 -8.116 1002 HG LEU1009 HG LEU 9 -3.164 6.225 -8.179 1003 HD11 LEU1009 1HD1 LEU 9 -2.677 7.642 -10.087 1004 HD12 LEU1009 2HD1 LEU 9 -2.835 5.957 -10.583 1005 HD13 LEU1009 3HD1 LEU 9 -1.232 6.693 -10.452 1006 HD21 LEU1009 1HD2 LEU 9 -2.287 4.115 -9.012 1007 HD22 LEU1009 2HD2 LEU 9 -1.643 4.459 -7.407 1008 HD23 LEU1009 3HD2 LEU 9 -0.628 4.703 -8.833 1009 H THR1010 H THR 10 -1.369 9.316 -5.259 1010 HA THR1010 HA THR 10 1.454 9.827 -5.045 1011 HB THR1010 HB THR 10 -0.168 11.657 -5.557 1012 HG1 THR1010 HG1 THR 10 1.255 12.246 -3.164 1013 HG21 THR1010 1HG2 THR 10 -1.977 11.112 -3.965 1014 HG22 THR1010 2HG2 THR 10 -1.401 12.762 -3.728 1015 HG23 THR1010 3HG2 THR 10 -0.907 11.488 -2.611 1016 H ALA1011 H ALA 11 -1.063 8.746 -2.794 1017 HA ALA1011 HA ALA 11 0.536 8.996 -0.406 1018 HB1 ALA1011 1HB ALA 11 -1.231 7.645 0.667 1019 HB2 ALA1011 2HB ALA 11 -1.935 7.300 -0.916 1020 HB3 ALA1011 3HB ALA 11 -1.926 8.952 -0.298 1021 H LEU1012 H LEU 12 0.100 6.505 -2.883 1022 HA LEU1012 HA LEU 12 1.481 4.370 -1.587 1023 HB2 LEU1012 2HB LEU 12 1.212 4.895 -4.582 1024 HB3 LEU1012 1HB LEU 12 1.772 3.398 -3.855 1025 HG LEU1012 HG LEU 12 -1.034 4.508 -3.968 1026 HD11 LEU1012 1HD1 LEU 12 -0.302 3.167 -5.855 1027 HD12 LEU1012 2HD1 LEU 12 -1.554 2.327 -4.948 1028 HD13 LEU1012 3HD1 LEU 12 0.132 1.835 -4.778 1029 HD21 LEU1012 1HD2 LEU 12 -0.080 2.318 -2.086 1030 HD22 LEU1012 2HD2 LEU 12 -1.774 2.636 -2.488 1031 HD23 LEU1012 3HD2 LEU 12 -0.824 3.860 -1.653 1032 H ASP1013 H ASP 13 2.385 6.831 -3.943 1033 HA ASP1013 HA ASP 13 5.096 6.287 -4.313 1034 HB2 ASP1013 2HB ASP 13 3.632 7.796 -5.709 1035 HB3 ASP1013 1HB ASP 13 3.655 8.982 -4.411 1036 H ASN1014 H ASN 14 3.418 8.321 -1.957 1037 HA ASN1014 HA ASN 14 5.604 9.417 -0.551 1038 HB2 ASN1014 2HB ASN 14 3.393 10.393 -0.282 1039 HB3 ASN1014 1HB ASN 14 2.724 8.872 0.287 1040 HD21 ASN1014 1HD2 ASN 14 2.973 8.304 2.453 1041 HD22 ASN1014 2HD2 ASN 14 3.655 9.366 3.636 1042 H PHE1015 H PHE 15 3.629 6.487 0.060 1043 HA PHE1015 HA PHE 15 4.859 5.666 2.447 1044 HB2 PHE1015 2HB PHE 15 2.728 4.722 1.870 1045 HB3 PHE1015 1HB PHE 15 3.318 4.155 0.314 1046 HD1 PHE1015 HD1 PHE 15 4.177 1.977 0.090 1047 HD2 PHE1015 HD2 PHE 15 3.695 3.584 4.006 1048 HE1 PHE1015 HE1 PHE 15 4.646 -0.214 1.033 1049 HE2 PHE1015 HE2 PHE 15 4.183 1.359 4.961 1050 HZ PHE1015 HZ PHE 15 4.658 -0.540 3.463 1051 H GLU1016 H GLU 16 5.297 4.370 -0.843 1052 HA GLU1016 HA GLU 16 7.344 2.620 -0.580 1053 HB2 GLU1016 2HB GLU 16 5.950 3.244 -2.664 1054 HB3 GLU1016 1HB GLU 16 7.115 4.527 -2.958 1055 HG2 GLU1016 2HG GLU 16 7.728 1.551 -2.899 1056 HG3 GLU1016 1HG GLU 16 7.504 2.507 -4.355 1057 H ALA1017 H ALA 17 7.731 6.090 -1.373 1058 HA ALA1017 HA ALA 17 10.539 6.117 -1.488 1059 HB1 ALA1017 1HB ALA 17 9.115 7.856 -2.501 1060 HB2 ALA1017 2HB ALA 17 10.341 8.562 -1.448 1061 HB3 ALA1017 3HB ALA 17 8.671 8.434 -0.890 1062 H LYS1018 H LYS 18 8.359 7.150 1.165 1063 HA LYS1018 HA LYS 18 10.492 7.975 2.900 1064 HB2 LYS1018 2HB LYS 18 7.490 7.797 3.192 1065 HB3 LYS1018 1HB LYS 18 8.467 8.010 4.637 1066 HG2 LYS1018 2HG LYS 18 7.639 10.157 3.823 1067 HG3 LYS1018 1HG LYS 18 9.400 10.088 3.749 1068 HD2 LYS1018 2HD LYS 18 9.284 9.665 1.308 1069 HD3 LYS1018 1HD LYS 18 7.520 9.696 1.382 1070 HE2 LYS1018 2HE LYS 18 9.350 12.027 2.048 1071 HE3 LYS1018 1HE LYS 18 8.440 11.828 0.548 1072 HZ1 LYS1018 1HZ LYS 18 7.290 13.289 2.073 1073 HZ2 LYS1018 2HZ LYS 18 7.266 12.091 3.262 1074 HZ3 LYS1018 3HZ LYS 18 6.390 11.876 1.830 1075 H MET1019 H MET 19 8.834 4.957 2.414 1076 HA MET1019 HA MET 19 9.814 3.891 4.941 1077 HB2 MET1019 2HB MET 19 8.449 2.064 4.712 1078 HB3 MET1019 1HB MET 19 7.506 3.284 3.893 1079 HG2 MET1019 2HG MET 19 7.649 2.227 1.875 1080 HG3 MET1019 1HG MET 19 9.297 1.667 2.151 1081 HE1 MET1019 1HE MET 19 8.734 0.386 5.151 1082 HE2 MET1019 2HE MET 19 9.853 -0.262 3.946 1083 HE3 MET1019 3HE MET 19 8.621 -1.300 4.654 1084 H ALA1020 H ALA 20 10.740 3.971 1.590 1085 HA ALA1020 HA ALA 20 12.936 2.114 1.836 1086 HB1 ALA1020 1HB ALA 20 13.751 3.134 -0.260 1087 HB2 ALA1020 2HB ALA 20 12.530 4.405 -0.127 1088 HB3 ALA1020 3HB ALA 20 12.037 2.730 -0.381 1089 H LEU1021 H LEU 21 12.339 5.495 2.625 1090 HA LEU1021 HA LEU 21 15.043 6.151 3.336 1091 HB2 LEU1021 2HB LEU 21 12.430 7.443 4.191 1092 HB3 LEU1021 1HB LEU 21 14.019 8.093 4.566 1093 HG LEU1021 HG LEU 21 12.812 7.814 1.786 1094 HD11 LEU1021 1HD1 LEU 21 11.789 9.621 3.081 1095 HD12 LEU1021 2HD1 LEU 21 12.762 10.254 1.755 1096 HD13 LEU1021 3HD1 LEU 21 13.385 10.309 3.407 1097 HD21 LEU1021 1HD2 LEU 21 14.809 9.009 0.970 1098 HD22 LEU1021 2HD2 LEU 21 15.233 7.458 1.685 1099 HD23 LEU1021 3HD2 LEU 21 15.516 8.947 2.590 1100 H LEU1022 H LEU 22 12.283 4.708 5.118 1101 HA LEU1022 HA LEU 22 13.082 4.767 7.753 1102 HB2 LEU1022 2HB LEU 22 11.882 2.431 6.232 1103 HB3 LEU1022 1HB LEU 22 12.162 2.351 7.960 1104 HG LEU1022 HG LEU 22 10.251 4.265 6.567 1105 HD11 LEU1022 1HD1 LEU 22 9.665 1.838 8.298 1106 HD12 LEU1022 2HD1 LEU 22 9.458 1.933 6.548 1107 HD13 LEU1022 3HD1 LEU 22 8.469 2.939 7.603 1108 HD21 LEU1022 1HD2 LEU 22 9.484 4.861 8.825 1109 HD22 LEU1022 2HD2 LEU 22 11.171 5.303 8.577 1110 HD23 LEU1022 3HD2 LEU 22 10.768 3.870 9.529 1111 HA PRO1023 HA PRO 23 16.940 2.277 7.503 1112 HB2 PRO1023 2HB PRO 23 18.472 3.846 9.139 1113 HB3 PRO1023 1HB PRO 23 18.124 4.301 7.460 1114 HG2 PRO1023 2HG PRO 23 17.147 5.559 9.926 1115 HG3 PRO1023 1HG PRO 23 17.104 6.169 8.261 1116 HD2 PRO1023 2HD PRO 23 14.962 4.816 9.776 1117 HD3 PRO1023 1HD PRO 23 14.850 5.719 8.248 1118 H ALA1024 H ALA 24 14.557 2.262 9.572 1119 HA ALA1024 HA ALA 24 15.780 1.468 12.073 1120 HB1 ALA1024 1HB ALA 24 13.668 2.732 12.080 1121 HB2 ALA1024 2HB ALA 24 13.463 1.161 12.856 1122 HB3 ALA1024 3HB ALA 24 12.865 1.419 11.214 1123 H VAL1025 H VAL 25 13.458 -0.189 9.896 1124 HA VAL1025 HA VAL 25 14.246 -2.816 10.861 1125 HB VAL1025 HB VAL 25 12.256 -2.125 8.643 1126 HG11 VAL1025 1HG1 VAL 25 12.574 -4.684 10.272 1127 HG12 VAL1025 2HG1 VAL 25 12.993 -4.477 8.570 1128 HG13 VAL1025 3HG1 VAL 25 11.307 -4.376 9.078 1129 HG21 VAL1025 1HG2 VAL 25 11.713 -2.546 11.609 1130 HG22 VAL1025 2HG2 VAL 25 10.480 -2.342 10.361 1131 HG23 VAL1025 3HG2 VAL 25 11.588 -1.019 10.732 Start of MODEL 18 1 H1 MET 1 1H MET 1 5.540 -5.541 24.523 2 H2 MET 1 2H MET 1 5.600 -6.980 25.408 3 H3 MET 1 3H MET 1 4.219 -6.017 25.456 4 HA MET 1 HA MET 1 5.261 -7.372 23.060 5 HB2 MET 1 2HB MET 1 4.354 -8.985 24.734 6 HB3 MET 1 1HB MET 1 2.845 -8.089 24.785 7 HG2 MET 1 2HG MET 1 2.500 -8.631 22.367 8 HG3 MET 1 1HG MET 1 3.949 -9.636 22.428 9 HE1 MET 1 1HE MET 1 0.904 -12.175 22.195 10 HE2 MET 1 2HE MET 1 2.372 -11.614 21.397 11 HE3 MET 1 3HE MET 1 0.956 -10.561 21.481 12 H THR 2 H THR 2 3.152 -4.912 24.401 13 HA THR 2 HA THR 2 1.126 -4.937 22.424 14 HB THR 2 HB THR 2 0.713 -3.825 24.557 15 HG1 THR 2 HG1 THR 2 -0.552 -3.079 22.863 16 HG21 THR 2 1HG2 THR 2 1.653 -1.604 25.087 17 HG22 THR 2 2HG2 THR 2 2.706 -1.712 23.675 18 HG23 THR 2 3HG2 THR 2 2.912 -2.841 25.014 19 H SER 3 H SER 3 4.208 -3.143 22.571 20 HA SER 3 HA SER 3 3.854 -1.606 20.196 21 HB2 SER 3 2HB SER 3 6.390 -1.385 20.339 22 HB3 SER 3 1HB SER 3 5.523 -0.941 21.811 23 HG SER 3 HG SER 3 7.424 -2.386 22.017 24 H THR 4 H THR 4 5.261 -4.787 20.837 25 HA THR 4 HA THR 4 6.222 -5.534 18.328 26 HB THR 4 HB THR 4 4.953 -7.285 20.485 27 HG1 THR 4 HG1 THR 4 7.679 -6.527 20.144 28 HG21 THR 4 1HG2 THR 4 5.285 -8.555 18.393 29 HG22 THR 4 2HG2 THR 4 6.395 -9.102 19.651 30 HG23 THR 4 3HG2 THR 4 6.977 -8.060 18.351 31 H VAL 5 H VAL 5 2.972 -5.949 19.765 32 HA VAL 5 HA VAL 5 1.797 -7.403 17.638 33 HB VAL 5 HB VAL 5 0.458 -5.745 19.839 34 HG11 VAL 5 1HG1 VAL 5 -1.622 -7.000 19.314 35 HG12 VAL 5 2HG1 VAL 5 -0.823 -7.749 17.930 36 HG13 VAL 5 3HG1 VAL 5 -1.106 -6.007 17.948 37 HG21 VAL 5 1HG2 VAL 5 0.886 -8.752 19.612 38 HG22 VAL 5 2HG2 VAL 5 0.073 -7.917 20.940 39 HG23 VAL 5 3HG2 VAL 5 1.796 -7.662 20.663 40 H GLU 6 H GLU 6 1.692 -3.932 18.519 41 HA GLU 6 HA GLU 6 0.123 -2.889 16.477 42 HB2 GLU 6 2HB GLU 6 2.547 -1.676 17.870 43 HB3 GLU 6 1HB GLU 6 1.548 -0.761 16.745 44 HG2 GLU 6 2HG GLU 6 -0.392 -1.007 18.204 45 HG3 GLU 6 1HG GLU 6 0.530 -2.031 19.304 46 H PHE 7 H PHE 7 3.655 -3.201 16.519 47 HA PHE 7 HA PHE 7 4.153 -2.080 14.013 48 HB2 PHE 7 2HB PHE 7 5.767 -2.408 15.956 49 HB3 PHE 7 1HB PHE 7 5.909 -4.098 15.482 50 HD1 PHE 7 HD1 PHE 7 7.767 -4.627 14.137 51 HD2 PHE 7 HD2 PHE 7 6.119 -0.682 13.933 52 HE1 PHE 7 HE1 PHE 7 9.534 -3.960 12.565 53 HE2 PHE 7 HE2 PHE 7 7.887 -0.031 12.363 54 HZ PHE 7 HZ PHE 7 9.584 -1.671 11.679 55 H ILE 8 H ILE 8 4.234 -5.552 14.926 56 HA ILE 8 HA ILE 8 4.811 -6.572 12.352 57 HB ILE 8 HB ILE 8 3.538 -8.013 14.725 58 HG12 ILE 8 2HG1 ILE 8 6.472 -7.874 13.886 59 HG13 ILE 8 1HG1 ILE 8 5.763 -6.995 15.237 60 HG21 ILE 8 1HG2 ILE 8 4.924 -9.213 12.293 61 HG22 ILE 8 2HG2 ILE 8 3.197 -9.292 12.641 62 HG23 ILE 8 3HG2 ILE 8 4.344 -10.117 13.695 63 HD11 ILE 8 1HD1 ILE 8 6.979 -8.959 15.971 64 HD12 ILE 8 2HD1 ILE 8 5.936 -9.994 14.998 65 HD13 ILE 8 3HD1 ILE 8 5.265 -9.091 16.358 66 H ASN 9 H ASN 9 1.700 -6.249 14.130 67 HA ASN 9 HA ASN 9 0.199 -7.762 12.193 68 HB2 ASN 9 2HB ASN 9 -0.761 -6.005 14.490 69 HB3 ASN 9 1HB ASN 9 -1.832 -6.960 13.469 70 HD21 ASN 9 1HD2 ASN 9 1.348 -8.062 14.666 71 HD22 ASN 9 2HD2 ASN 9 0.708 -9.288 15.689 72 H ARG 10 H ARG 10 0.836 -4.307 12.685 73 HA ARG 10 HA ARG 10 -1.072 -3.403 10.739 74 HB2 ARG 10 2HB ARG 10 1.393 -2.034 11.880 75 HB3 ARG 10 1HB ARG 10 0.284 -1.257 10.751 76 HG2 ARG 10 2HG ARG 10 -1.526 -1.346 12.337 77 HG3 ARG 10 1HG ARG 10 -0.589 -2.370 13.429 78 HD2 ARG 10 2HD ARG 10 1.066 -0.448 13.639 79 HD3 ARG 10 1HD ARG 10 -0.110 0.555 12.775 80 HE ARG 10 HE ARG 10 -1.400 -0.696 14.937 81 HH11 ARG 10 1HH1 ARG 10 1.020 1.820 14.412 82 HH12 ARG 10 2HH1 ARG 10 0.641 2.644 15.891 83 HH21 ARG 10 1HH2 ARG 10 -1.843 0.370 16.871 84 HH22 ARG 10 2HH2 ARG 10 -0.982 1.820 17.283 85 H TRP 11 H TRP 11 2.496 -4.027 10.575 86 HA TRP 11 HA TRP 11 2.794 -3.511 7.812 87 HB2 TRP 11 2HB TRP 11 4.374 -5.265 9.723 88 HB3 TRP 11 1HB TRP 11 4.770 -5.250 8.006 89 HD1 TRP 11 HD1 TRP 11 5.770 -3.576 11.084 90 HE1 TRP 11 HE1 TRP 11 6.986 -1.375 10.586 91 HE3 TRP 11 HE3 TRP 11 4.513 -2.998 6.163 92 HZ2 TRP 11 HZ2 TRP 11 7.390 0.391 8.444 93 HZ3 TRP 11 HZ3 TRP 11 5.351 -1.024 4.966 94 HH2 TRP 11 HH2 TRP 11 6.754 0.634 6.083 95 H GLN 12 H GLN 12 1.765 -6.405 9.511 96 HA GLN 12 HA GLN 12 1.659 -8.217 7.332 97 HB2 GLN 12 2HB GLN 12 1.701 -8.933 9.697 98 HB3 GLN 12 1HB GLN 12 0.143 -8.181 9.984 99 HG2 GLN 12 2HG GLN 12 0.125 -10.219 7.822 100 HG3 GLN 12 1HG GLN 12 0.541 -10.853 9.411 101 HE21 GLN 12 1HE2 GLN 12 -1.378 -12.059 9.457 102 HE22 GLN 12 2HE2 GLN 12 -2.920 -11.337 9.740 103 H ARG 13 H ARG 13 -0.682 -6.008 8.797 104 HA ARG 13 HA ARG 13 -2.970 -6.700 7.324 105 HB2 ARG 13 2HB ARG 13 -3.068 -5.375 9.400 106 HB3 ARG 13 1HB ARG 13 -2.208 -4.048 8.630 107 HG2 ARG 13 2HG ARG 13 -4.641 -3.620 8.863 108 HG3 ARG 13 1HG ARG 13 -4.107 -3.585 7.182 109 HD2 ARG 13 2HD ARG 13 -6.281 -4.749 7.507 110 HD3 ARG 13 1HD ARG 13 -5.049 -5.788 6.783 111 HE ARG 13 HE ARG 13 -4.984 -6.155 9.561 112 HH11 ARG 13 1HH1 ARG 13 -7.213 -6.800 6.917 113 HH12 ARG 13 2HH1 ARG 13 -7.929 -8.176 7.698 114 HH21 ARG 13 1HH2 ARG 13 -5.882 -7.986 10.544 115 HH22 ARG 13 2HH2 ARG 13 -7.169 -8.850 9.764 116 H ILE 14 H ILE 14 -0.404 -4.324 6.715 117 HA ILE 14 HA ILE 14 -1.520 -3.176 4.353 118 HB ILE 14 HB ILE 14 1.413 -3.235 5.234 119 HG12 ILE 14 2HG1 ILE 14 -0.707 -1.113 5.776 120 HG13 ILE 14 1HG1 ILE 14 -0.112 -2.266 6.962 121 HG21 ILE 14 1HG2 ILE 14 0.022 -1.246 3.393 122 HG22 ILE 14 2HG2 ILE 14 1.071 -2.549 2.852 123 HG23 ILE 14 3HG2 ILE 14 1.731 -1.250 3.841 124 HD11 ILE 14 1HD1 ILE 14 1.506 -0.133 5.601 125 HD12 ILE 14 2HD1 ILE 14 2.118 -1.307 6.774 126 HD13 ILE 14 3HD1 ILE 14 0.906 -0.120 7.259 127 H ALA 15 H ALA 15 0.754 -5.855 4.972 128 HA ALA 15 HA ALA 15 1.490 -6.386 2.285 129 HB1 ALA 15 1HB ALA 15 2.767 -7.238 4.205 130 HB2 ALA 15 2HB ALA 15 2.295 -8.554 3.129 131 HB3 ALA 15 3HB ALA 15 1.425 -8.296 4.646 132 H LEU 16 H LEU 16 -1.092 -7.723 4.347 133 HA LEU 16 HA LEU 16 -2.142 -9.602 2.494 134 HB2 LEU 16 2HB LEU 16 -3.459 -8.266 4.889 135 HB3 LEU 16 1HB LEU 16 -4.199 -9.565 3.969 136 HG LEU 16 HG LEU 16 -1.696 -9.754 5.687 137 HD11 LEU 16 1HD1 LEU 16 -4.426 -11.050 5.988 138 HD12 LEU 16 2HD1 LEU 16 -3.784 -9.724 6.961 139 HD13 LEU 16 3HD1 LEU 16 -3.031 -11.314 7.041 140 HD21 LEU 16 1HD2 LEU 16 -2.924 -11.920 3.943 141 HD22 LEU 16 2HD2 LEU 16 -1.628 -12.155 5.117 142 HD23 LEU 16 3HD2 LEU 16 -1.355 -11.143 3.702 143 H LEU 17 H LEU 17 -3.036 -6.267 3.319 144 HA LEU 17 HA LEU 17 -5.260 -6.058 1.583 145 HB2 LEU 17 2HB LEU 17 -3.476 -4.003 2.914 146 HB3 LEU 17 1HB LEU 17 -4.731 -3.501 1.793 147 HG LEU 17 HG LEU 17 -5.289 -5.131 4.308 148 HD11 LEU 17 1HD1 LEU 17 -5.604 -2.137 3.911 149 HD12 LEU 17 2HD1 LEU 17 -4.394 -2.927 4.922 150 HD13 LEU 17 3HD1 LEU 17 -6.102 -3.058 5.335 151 HD21 LEU 17 1HD2 LEU 17 -7.639 -4.491 3.909 152 HD22 LEU 17 2HD2 LEU 17 -6.987 -5.407 2.554 153 HD23 LEU 17 3HD2 LEU 17 -7.170 -3.655 2.425 154 H SER 18 H SER 18 -1.800 -5.333 1.142 155 HA SER 18 HA SER 18 -2.025 -4.049 -1.372 156 HB2 SER 18 2HB SER 18 -0.043 -3.918 0.208 157 HB3 SER 18 1HB SER 18 0.438 -5.521 -0.346 158 HG SER 18 HG SER 18 0.789 -3.101 -1.523 159 H GLN 19 H GLN 19 -1.379 -7.457 -0.470 160 HA GLN 19 HA GLN 19 -1.002 -8.373 -3.150 161 HB2 GLN 19 2HB GLN 19 -1.058 -10.632 -2.256 162 HB3 GLN 19 1HB GLN 19 -0.113 -9.607 -1.184 163 HG2 GLN 19 2HG GLN 19 -2.158 -9.430 0.286 164 HG3 GLN 19 1HG GLN 19 -2.916 -10.645 -0.739 165 HE21 GLN 19 1HE2 GLN 19 -3.112 -12.111 0.955 166 HE22 GLN 19 2HE2 GLN 19 -1.760 -12.930 1.650 167 H SER 20 H SER 20 -3.845 -8.229 -0.985 168 HA SER 20 HA SER 20 -5.695 -9.560 -2.645 169 HB2 SER 20 2HB SER 20 -6.191 -7.339 -0.614 170 HB3 SER 20 1HB SER 20 -7.452 -8.350 -1.329 171 HG SER 20 HG SER 20 -5.801 -8.885 0.736 172 H LEU 21 H LEU 21 -4.990 -6.115 -2.290 173 HA LEU 21 HA LEU 21 -6.748 -5.077 -4.215 174 HB2 LEU 21 2HB LEU 21 -4.171 -3.945 -3.048 175 HB3 LEU 21 1HB LEU 21 -5.268 -3.017 -4.059 176 HG LEU 21 HG LEU 21 -6.122 -4.241 -1.404 177 HD11 LEU 21 1HD1 LEU 21 -4.300 -2.672 -0.976 178 HD12 LEU 21 2HD1 LEU 21 -5.828 -2.026 -0.387 179 HD13 LEU 21 3HD1 LEU 21 -5.136 -1.417 -1.893 180 HD21 LEU 21 1HD2 LEU 21 -7.976 -3.734 -2.912 181 HD22 LEU 21 2HD2 LEU 21 -7.399 -2.076 -3.102 182 HD23 LEU 21 3HD2 LEU 21 -7.976 -2.638 -1.532 183 H LEU 22 H LEU 22 -3.402 -6.242 -4.411 184 HA LEU 22 HA LEU 22 -2.819 -5.389 -7.034 185 HB2 LEU 22 2HB LEU 22 -1.036 -6.174 -5.581 186 HB3 LEU 22 1HB LEU 22 -1.769 -7.767 -5.456 187 HG LEU 22 HG LEU 22 -1.283 -8.209 -7.841 188 HD11 LEU 22 1HD1 LEU 22 0.083 -6.673 -9.193 189 HD12 LEU 22 2HD1 LEU 22 -0.015 -5.453 -7.920 190 HD13 LEU 22 3HD1 LEU 22 -1.475 -5.968 -8.769 191 HD21 LEU 22 1HD2 LEU 22 0.400 -8.834 -6.169 192 HD22 LEU 22 2HD2 LEU 22 1.178 -7.258 -6.344 193 HD23 LEU 22 3HD2 LEU 22 1.153 -8.387 -7.700 194 H GLU 23 H GLU 23 -4.081 -8.510 -5.815 195 HA GLU 23 HA GLU 23 -4.485 -9.784 -8.281 196 HB2 GLU 23 2HB GLU 23 -6.116 -10.109 -5.731 197 HB3 GLU 23 1HB GLU 23 -6.106 -11.237 -7.079 198 HG2 GLU 23 2HG GLU 23 -3.806 -10.606 -5.222 199 HG3 GLU 23 1HG GLU 23 -4.741 -12.092 -5.273 200 H LEU 24 H LEU 24 -6.469 -7.493 -6.516 201 HA LEU 24 HA LEU 24 -8.816 -7.725 -8.154 202 HB2 LEU 24 2HB LEU 24 -7.988 -5.605 -6.140 203 HB3 LEU 24 1HB LEU 24 -9.583 -5.721 -6.874 204 HG LEU 24 HG LEU 24 -8.341 -7.853 -5.093 205 HD11 LEU 24 1HD1 LEU 24 -9.957 -7.133 -3.385 206 HD12 LEU 24 2HD1 LEU 24 -10.449 -5.795 -4.426 207 HD13 LEU 24 3HD1 LEU 24 -8.803 -5.865 -3.798 208 HD21 LEU 24 1HD2 LEU 24 -11.156 -7.673 -6.194 209 HD22 LEU 24 2HD2 LEU 24 -10.557 -8.889 -5.064 210 HD23 LEU 24 3HD2 LEU 24 -9.911 -8.818 -6.701 211 H ALA 25 H ALA 25 -5.943 -5.673 -8.190 212 HA ALA 25 HA ALA 25 -6.895 -3.772 -10.136 213 HB1 ALA 25 1HB ALA 25 -4.527 -3.081 -10.303 214 HB2 ALA 25 2HB ALA 25 -4.039 -4.493 -9.361 215 HB3 ALA 25 3HB ALA 25 -5.029 -3.237 -8.619 216 H GLN 26 H GLN 26 -5.151 -6.829 -10.240 217 HA GLN 26 HA GLN 26 -4.674 -6.950 -13.059 218 HB2 GLN 26 2HB GLN 26 -4.882 -9.211 -11.014 219 HB3 GLN 26 1HB GLN 26 -4.184 -9.355 -12.623 220 HG2 GLN 26 2HG GLN 26 -3.061 -7.488 -10.507 221 HG3 GLN 26 1HG GLN 26 -2.544 -9.160 -10.685 222 HE21 GLN 26 1HE2 GLN 26 -0.393 -8.265 -11.019 223 HE22 GLN 26 2HE2 GLN 26 0.051 -7.663 -12.575 224 H ARG 27 H ARG 27 -7.270 -8.032 -10.913 225 HA ARG 27 HA ARG 27 -8.826 -9.439 -12.872 226 HB2 ARG 27 2HB ARG 27 -8.957 -9.939 -10.449 227 HB3 ARG 27 1HB ARG 27 -9.573 -8.325 -10.124 228 HG2 ARG 27 2HG ARG 27 -11.392 -9.939 -10.036 229 HG3 ARG 27 1HG ARG 27 -11.626 -8.855 -11.406 230 HD2 ARG 27 2HD ARG 27 -10.674 -10.629 -12.902 231 HD3 ARG 27 1HD ARG 27 -10.602 -11.713 -11.505 232 HE ARG 27 HE ARG 27 -13.212 -10.760 -11.673 233 HH11 ARG 27 1HH1 ARG 27 -11.065 -12.757 -13.616 234 HH12 ARG 27 2HH1 ARG 27 -12.357 -13.673 -14.325 235 HH21 ARG 27 1HH2 ARG 27 -14.908 -11.965 -12.610 236 HH22 ARG 27 2HH2 ARG 27 -14.547 -13.222 -13.752 237 H GLY 28 H GLY 28 -8.563 -6.100 -11.891 238 HA2 GLY 28 2HA GLY 28 -9.442 -4.223 -12.965 239 HA3 GLY 28 1HA GLY 28 -10.574 -5.238 -13.839 240 H GLU 29 H GLU 29 -10.468 -5.851 -10.477 241 HA GLU 29 HA GLU 29 -13.017 -4.634 -9.909 242 HB2 GLU 29 2HB GLU 29 -10.990 -5.863 -8.000 243 HB3 GLU 29 1HB GLU 29 -12.654 -5.457 -7.606 244 HG2 GLU 29 2HG GLU 29 -11.780 -7.546 -9.610 245 HG3 GLU 29 1HG GLU 29 -12.320 -7.871 -7.966 246 H TRP 30 H TRP 30 -12.227 -2.463 -10.635 247 HA TRP 30 HA TRP 30 -10.367 -0.924 -9.129 248 HB2 TRP 30 2HB TRP 30 -12.653 0.271 -10.755 249 HB3 TRP 30 1HB TRP 30 -11.068 0.969 -10.438 250 HD1 TRP 30 HD1 TRP 30 -12.903 -0.561 -13.150 251 HE1 TRP 30 HE1 TRP 30 -11.369 -1.523 -14.959 252 HE3 TRP 30 HE3 TRP 30 -8.458 -0.568 -10.593 253 HZ2 TRP 30 HZ2 TRP 30 -8.677 -2.195 -15.298 254 HZ3 TRP 30 HZ3 TRP 30 -6.444 -1.397 -11.742 255 HH2 TRP 30 HH2 TRP 30 -6.557 -2.197 -14.053 256 H ASP 31 H ASP 31 -13.772 -1.577 -8.862 257 HA ASP 31 HA ASP 31 -14.583 0.470 -7.091 258 HB2 ASP 31 2HB ASP 31 -16.140 -0.888 -8.497 259 HB3 ASP 31 1HB ASP 31 -15.799 -2.301 -7.503 260 H LEU 32 H LEU 32 -13.321 -2.806 -6.565 261 HA LEU 32 HA LEU 32 -13.648 -2.779 -3.703 262 HB2 LEU 32 2HB LEU 32 -12.050 -4.611 -5.521 263 HB3 LEU 32 1HB LEU 32 -12.138 -4.819 -3.779 264 HG LEU 32 HG LEU 32 -14.449 -5.072 -5.743 265 HD11 LEU 32 1HD1 LEU 32 -14.493 -7.431 -4.931 266 HD12 LEU 32 2HD1 LEU 32 -13.017 -7.112 -4.007 267 HD13 LEU 32 3HD1 LEU 32 -13.000 -7.008 -5.770 268 HD21 LEU 32 1HD2 LEU 32 -15.266 -4.016 -3.683 269 HD22 LEU 32 2HD2 LEU 32 -14.522 -5.285 -2.711 270 HD23 LEU 32 3HD2 LEU 32 -15.852 -5.673 -3.803 271 H LEU 33 H LEU 33 -11.087 -1.858 -5.934 272 HA LEU 33 HA LEU 33 -9.036 -1.372 -4.047 273 HB2 LEU 33 2HB LEU 33 -9.593 0.189 -6.605 274 HB3 LEU 33 1HB LEU 33 -8.080 0.185 -5.709 275 HG LEU 33 HG LEU 33 -9.278 -2.164 -7.222 276 HD11 LEU 33 1HD1 LEU 33 -7.331 -1.952 -8.688 277 HD12 LEU 33 2HD1 LEU 33 -6.796 -0.533 -7.784 278 HD13 LEU 33 3HD1 LEU 33 -8.310 -0.485 -8.689 279 HD21 LEU 33 1HD2 LEU 33 -7.227 -3.396 -6.676 280 HD22 LEU 33 2HD2 LEU 33 -8.157 -2.998 -5.234 281 HD23 LEU 33 3HD2 LEU 33 -6.706 -2.073 -5.628 282 H LEU 34 H LEU 34 -11.676 0.663 -5.285 283 HA LEU 34 HA LEU 34 -11.125 2.979 -3.721 284 HB2 LEU 34 2HB LEU 34 -13.727 2.073 -5.019 285 HB3 LEU 34 1HB LEU 34 -13.428 3.687 -4.384 286 HG LEU 34 HG LEU 34 -11.988 2.401 -6.735 287 HD11 LEU 34 1HD1 LEU 34 -13.959 4.701 -6.701 288 HD12 LEU 34 2HD1 LEU 34 -14.259 3.071 -7.308 289 HD13 LEU 34 3HD1 LEU 34 -13.081 4.102 -8.114 290 HD21 LEU 34 1HD2 LEU 34 -10.901 4.603 -7.046 291 HD22 LEU 34 2HD2 LEU 34 -10.420 3.805 -5.554 292 HD23 LEU 34 3HD2 LEU 34 -11.577 5.137 -5.505 293 H GLN 35 H GLN 35 -13.048 0.103 -3.100 294 HA GLN 35 HA GLN 35 -14.498 1.017 -0.821 295 HB2 GLN 35 2HB GLN 35 -15.174 -0.955 -2.193 296 HB3 GLN 35 1HB GLN 35 -13.732 -1.818 -1.672 297 HG2 GLN 35 2HG GLN 35 -15.618 -2.653 -0.427 298 HG3 GLN 35 1HG GLN 35 -14.588 -1.748 0.678 299 HE21 GLN 35 1HE2 GLN 35 -17.625 -1.769 -1.026 300 HE22 GLN 35 2HE2 GLN 35 -18.387 -0.514 -0.117 301 H GLN 36 H GLN 36 -11.584 -0.961 -1.204 302 HA GLN 36 HA GLN 36 -10.989 -1.047 1.643 303 HB2 GLN 36 2HB GLN 36 -9.714 -2.321 -0.802 304 HB3 GLN 36 1HB GLN 36 -9.056 -2.509 0.823 305 HG2 GLN 36 2HG GLN 36 -10.965 -3.715 1.583 306 HG3 GLN 36 1HG GLN 36 -11.928 -3.233 0.189 307 HE21 GLN 36 1HE2 GLN 36 -10.013 -3.813 -1.838 308 HE22 GLN 36 2HE2 GLN 36 -9.870 -5.532 -1.904 309 H GLU 37 H GLU 37 -10.251 1.042 -0.907 310 HA GLU 37 HA GLU 37 -7.740 2.013 -0.684 311 HB2 GLU 37 2HB GLU 37 -9.475 2.965 -2.158 312 HB3 GLU 37 1HB GLU 37 -10.323 3.631 -0.768 313 HG2 GLU 37 2HG GLU 37 -8.337 5.100 -0.327 314 HG3 GLU 37 1HG GLU 37 -7.607 4.477 -1.809 315 H VAL 38 H VAL 38 -10.429 3.009 1.425 316 HA VAL 38 HA VAL 38 -8.995 4.795 3.052 317 HB VAL 38 HB VAL 38 -11.523 3.259 3.830 318 HG11 VAL 38 1HG1 VAL 38 -10.487 5.947 4.819 319 HG12 VAL 38 2HG1 VAL 38 -10.499 4.438 5.734 320 HG13 VAL 38 3HG1 VAL 38 -12.021 5.204 5.279 321 HG21 VAL 38 1HG2 VAL 38 -11.833 4.344 1.634 322 HG22 VAL 38 2HG2 VAL 38 -11.326 5.894 2.313 323 HG23 VAL 38 3HG2 VAL 38 -12.817 5.130 2.872 324 H SER 39 H SER 39 -9.591 1.322 3.342 325 HA SER 39 HA SER 39 -8.609 0.919 5.983 326 HB2 SER 39 2HB SER 39 -10.104 -0.693 4.906 327 HB3 SER 39 1HB SER 39 -8.911 -1.027 3.648 328 HG SER 39 HG SER 39 -7.652 -1.483 5.879 329 H TYR 40 H TYR 40 -7.082 0.760 2.779 330 HA TYR 40 HA TYR 40 -4.623 -0.421 3.668 331 HB2 TYR 40 2HB TYR 40 -5.535 -0.649 1.340 332 HB3 TYR 40 1HB TYR 40 -5.194 1.056 1.061 333 HD1 TYR 40 HD1 TYR 40 -3.227 1.438 -0.204 334 HD2 TYR 40 HD2 TYR 40 -3.321 -1.948 2.381 335 HE1 TYR 40 HE1 TYR 40 -0.993 0.779 -0.973 336 HE2 TYR 40 HE2 TYR 40 -1.092 -2.596 1.603 337 HH TYR 40 HH TYR 40 0.905 -0.532 -0.231 338 H LEU 41 H LEU 41 -5.656 2.856 2.799 339 HA LEU 41 HA LEU 41 -3.155 4.131 3.260 340 HB2 LEU 41 2HB LEU 41 -5.943 5.364 3.289 341 HB3 LEU 41 1HB LEU 41 -4.426 6.241 3.147 342 HG LEU 41 HG LEU 41 -5.649 4.371 1.079 343 HD11 LEU 41 1HD1 LEU 41 -5.761 6.356 -0.361 344 HD12 LEU 41 2HD1 LEU 41 -5.102 7.352 0.939 345 HD13 LEU 41 3HD1 LEU 41 -6.682 6.586 1.126 346 HD21 LEU 41 1HD2 LEU 41 -2.935 5.723 0.960 347 HD22 LEU 41 2HD2 LEU 41 -3.723 4.896 -0.386 348 HD23 LEU 41 3HD2 LEU 41 -3.249 3.987 1.047 349 H GLN 42 H GLN 42 -5.960 3.387 5.298 350 HA GLN 42 HA GLN 42 -5.278 4.754 7.651 351 HB2 GLN 42 2HB GLN 42 -7.457 3.653 7.345 352 HB3 GLN 42 1HB GLN 42 -6.686 2.071 7.311 353 HG2 GLN 42 2HG GLN 42 -5.935 2.471 9.690 354 HG3 GLN 42 1HG GLN 42 -6.907 3.942 9.699 355 HE21 GLN 42 1HE2 GLN 42 -7.153 1.579 11.368 356 HE22 GLN 42 2HE2 GLN 42 -8.734 0.942 11.109 357 H SER 43 H SER 43 -4.525 1.386 6.693 358 HA SER 43 HA SER 43 -3.022 0.722 8.972 359 HB2 SER 43 2HB SER 43 -2.240 -1.239 7.580 360 HB3 SER 43 1HB SER 43 -3.987 -1.028 7.635 361 HG SER 43 HG SER 43 -2.370 -0.035 5.527 362 H ILE 44 H ILE 44 -2.050 2.072 5.852 363 HA ILE 44 HA ILE 44 0.756 2.055 6.156 364 HB ILE 44 HB ILE 44 -1.166 3.748 4.520 365 HG12 ILE 44 2HG1 ILE 44 0.957 1.695 3.732 366 HG13 ILE 44 1HG1 ILE 44 -0.772 1.390 3.836 367 HG21 ILE 44 1HG2 ILE 44 1.851 4.103 4.486 368 HG22 ILE 44 2HG2 ILE 44 0.663 5.300 5.003 369 HG23 ILE 44 3HG2 ILE 44 0.730 4.798 3.314 370 HD11 ILE 44 1HD1 ILE 44 -0.048 1.635 1.547 371 HD12 ILE 44 2HD1 ILE 44 0.580 3.247 1.882 372 HD13 ILE 44 3HD1 ILE 44 -1.156 2.934 1.983 373 H GLU 45 H GLU 45 -1.645 4.585 6.965 374 HA GLU 45 HA GLU 45 0.143 6.573 7.839 375 HB2 GLU 45 2HB GLU 45 -2.217 7.044 7.259 376 HB3 GLU 45 1HB GLU 45 -2.763 6.115 8.652 377 HG2 GLU 45 2HG GLU 45 -1.678 7.747 10.168 378 HG3 GLU 45 1HG GLU 45 -1.123 8.675 8.777 379 H THR 46 H THR 46 -1.594 4.028 9.601 380 HA THR 46 HA THR 46 -0.757 4.911 12.199 381 HB THR 46 HB THR 46 -2.940 3.773 11.846 382 HG1 THR 46 HG1 THR 46 -1.366 3.511 13.872 383 HG21 THR 46 1HG2 THR 46 -3.056 1.319 11.617 384 HG22 THR 46 2HG2 THR 46 -1.301 1.246 11.449 385 HG23 THR 46 3HG2 THR 46 -2.269 2.050 10.216 386 H VAL 47 H VAL 47 0.541 2.494 9.886 387 HA VAL 47 HA VAL 47 2.297 1.325 11.869 388 HB VAL 47 HB VAL 47 1.521 0.225 9.604 389 HG11 VAL 47 1HG1 VAL 47 3.175 0.357 7.765 390 HG12 VAL 47 2HG1 VAL 47 4.028 1.639 8.621 391 HG13 VAL 47 3HG1 VAL 47 2.382 1.908 8.046 392 HG21 VAL 47 1HG2 VAL 47 3.468 -1.276 9.631 393 HG22 VAL 47 2HG2 VAL 47 2.947 -0.882 11.270 394 HG23 VAL 47 3HG2 VAL 47 4.376 -0.102 10.588 395 H MET 48 H MET 48 2.582 3.869 9.418 396 HA MET 48 HA MET 48 5.407 4.257 9.777 397 HB2 MET 48 2HB MET 48 4.146 4.810 7.665 398 HB3 MET 48 1HB MET 48 3.392 6.161 8.497 399 HG2 MET 48 2HG MET 48 5.509 7.293 8.709 400 HG3 MET 48 1HG MET 48 6.386 5.868 8.154 401 HE1 MET 48 1HE MET 48 5.583 5.728 4.348 402 HE2 MET 48 2HE MET 48 4.827 4.792 5.640 403 HE3 MET 48 3HE MET 48 6.567 5.081 5.661 404 H GLU 49 H GLU 49 2.483 5.510 11.217 405 HA GLU 49 HA GLU 49 3.536 7.504 12.912 406 HB2 GLU 49 2HB GLU 49 1.133 7.215 12.563 407 HB3 GLU 49 1HB GLU 49 1.184 5.581 13.208 408 HG2 GLU 49 2HG GLU 49 0.181 6.948 14.873 409 HG3 GLU 49 1HG GLU 49 1.804 6.578 15.446 410 H LYS 50 H LYS 50 3.474 3.964 13.151 411 HA LYS 50 HA LYS 50 4.534 3.905 15.862 412 HB2 LYS 50 2HB LYS 50 2.873 2.169 14.968 413 HB3 LYS 50 1HB LYS 50 4.170 1.539 13.956 414 HG2 LYS 50 2HG LYS 50 3.957 0.171 15.970 415 HG3 LYS 50 1HG LYS 50 5.502 1.033 16.013 416 HD2 LYS 50 2HD LYS 50 4.418 2.772 17.485 417 HD3 LYS 50 1HD LYS 50 2.955 1.786 17.505 418 HE2 LYS 50 2HE LYS 50 4.278 -0.053 18.569 419 HE3 LYS 50 1HE LYS 50 5.669 1.037 18.636 420 HZ1 LYS 50 1HZ LYS 50 3.039 1.464 19.966 421 HZ2 LYS 50 2HZ LYS 50 4.319 2.571 19.980 422 HZ3 LYS 50 3HZ LYS 50 4.496 1.068 20.727 423 H GLN 51 H GLN 51 6.435 5.111 15.435 424 HA GLN 51 HA GLN 51 8.509 4.048 13.681 425 HB2 GLN 51 2HB GLN 51 8.509 6.457 15.551 426 HB3 GLN 51 1HB GLN 51 9.813 6.038 14.444 427 HG2 GLN 51 2HG GLN 51 8.269 6.342 12.525 428 HG3 GLN 51 1HG GLN 51 6.989 6.805 13.648 429 HE21 GLN 51 1HE2 GLN 51 7.120 8.840 14.676 430 HE22 GLN 51 2HE2 GLN 51 8.161 10.091 14.107 431 H THR 52 H THR 52 9.461 2.243 14.455 432 HA THR 52 HA THR 52 10.237 2.015 17.291 433 HB THR 52 HB THR 52 10.769 -0.372 16.698 434 HG1 THR 52 HG1 THR 52 11.201 -0.086 14.469 435 HG21 THR 52 1HG2 THR 52 7.955 0.497 15.928 436 HG22 THR 52 2HG2 THR 52 8.523 0.169 17.568 437 HG23 THR 52 3HG2 THR 52 8.437 -1.137 16.385 438 HA PRO 53 HA PRO 53 14.566 3.015 16.526 439 HB2 PRO 53 2HB PRO 53 15.826 1.147 18.199 440 HB3 PRO 53 1HB PRO 53 15.095 2.662 18.760 441 HG2 PRO 53 2HG PRO 53 13.912 -0.098 18.749 442 HG3 PRO 53 1HG PRO 53 13.885 1.130 20.038 443 HD2 PRO 53 2HD PRO 53 11.741 0.774 18.495 444 HD3 PRO 53 1HD PRO 53 12.237 2.418 18.958 445 HA PRO 54 HA PRO 54 16.336 0.403 13.287 446 HB2 PRO 54 2HB PRO 54 18.964 0.860 14.718 447 HB3 PRO 54 1HB PRO 54 18.563 1.052 12.993 448 HG2 PRO 54 2HG PRO 54 18.772 3.192 14.529 449 HG3 PRO 54 1HG PRO 54 17.466 3.089 13.323 450 HD2 PRO 54 2HD PRO 54 17.322 2.706 16.304 451 HD3 PRO 54 1HD PRO 54 16.160 3.490 15.212 452 H GLY 55 H GLY 55 17.741 -0.132 16.506 453 HA2 GLY 55 2HA GLY 55 18.299 -2.895 16.236 454 HA3 GLY 55 1HA GLY 55 18.150 -2.000 17.740 455 H ILE 56 H ILE 56 16.424 -3.839 15.327 456 HA ILE 56 HA ILE 56 14.261 -4.410 17.265 457 HB ILE 56 HB ILE 56 13.420 -3.037 15.359 458 HG12 ILE 56 2HG1 ILE 56 11.546 -4.592 14.627 459 HG13 ILE 56 1HG1 ILE 56 12.389 -5.902 15.443 460 HG21 ILE 56 1HG2 ILE 56 14.269 -5.322 13.550 461 HG22 ILE 56 2HG2 ILE 56 14.972 -3.705 13.589 462 HG23 ILE 56 3HG2 ILE 56 13.304 -3.927 13.059 463 HD11 ILE 56 1HD1 ILE 56 12.120 -4.744 17.584 464 HD12 ILE 56 2HD1 ILE 56 10.569 -5.007 16.786 465 HD13 ILE 56 3HD1 ILE 56 11.308 -3.407 16.761 466 H THR 57 H THR 57 13.802 -6.651 17.539 467 HA THR 57 HA THR 57 16.140 -8.264 17.312 468 HB THR 57 HB THR 57 14.479 -8.308 19.235 469 HG1 THR 57 HG1 THR 57 16.046 -9.917 19.086 470 HG21 THR 57 1HG2 THR 57 12.559 -9.850 19.108 471 HG22 THR 57 2HG2 THR 57 12.861 -10.110 17.389 472 HG23 THR 57 3HG2 THR 57 12.365 -8.517 17.967 473 H ARG 58 H ARG 58 16.128 -10.574 16.521 474 HA ARG 58 HA ARG 58 16.062 -10.559 13.748 475 HB2 ARG 58 2HB ARG 58 17.586 -12.032 14.892 476 HB3 ARG 58 1HB ARG 58 16.282 -12.858 15.729 477 HG2 ARG 58 2HG ARG 58 17.225 -14.312 14.018 478 HG3 ARG 58 1HG ARG 58 15.567 -13.900 13.591 479 HD2 ARG 58 2HD ARG 58 16.929 -13.850 11.601 480 HD3 ARG 58 1HD ARG 58 16.458 -12.197 11.989 481 HE ARG 58 HE ARG 58 18.937 -12.606 13.165 482 HH11 ARG 58 1HH1 ARG 58 17.672 -12.591 9.870 483 HH12 ARG 58 2HH1 ARG 58 19.180 -12.092 9.173 484 HH21 ARG 58 1HH2 ARG 58 20.890 -11.905 12.234 485 HH22 ARG 58 2HH2 ARG 58 21.007 -11.702 10.512 486 H SER 59 H SER 59 13.708 -12.119 15.955 487 HA SER 59 HA SER 59 12.138 -13.450 14.071 488 HB2 SER 59 2HB SER 59 11.213 -12.218 16.699 489 HB3 SER 59 1HB SER 59 10.412 -13.521 15.825 490 HG SER 59 HG SER 59 12.094 -14.864 16.253 491 H ILE 60 H ILE 60 11.505 -10.278 15.574 492 HA ILE 60 HA ILE 60 9.217 -9.596 14.076 493 HB ILE 60 HB ILE 60 11.167 -7.706 15.485 494 HG12 ILE 60 2HG1 ILE 60 8.615 -9.007 16.559 495 HG13 ILE 60 1HG1 ILE 60 10.253 -9.464 17.013 496 HG21 ILE 60 1HG2 ILE 60 9.241 -6.127 15.585 497 HG22 ILE 60 2HG2 ILE 60 8.280 -7.251 14.626 498 HG23 ILE 60 3HG2 ILE 60 9.705 -6.491 13.920 499 HD11 ILE 60 1HD1 ILE 60 10.592 -7.247 17.997 500 HD12 ILE 60 2HD1 ILE 60 9.230 -8.100 18.721 501 HD13 ILE 60 3HD1 ILE 60 8.938 -6.806 17.560 502 H GLN 61 H GLN 61 12.641 -8.689 13.693 503 HA GLN 61 HA GLN 61 12.467 -6.898 11.578 504 HB2 GLN 61 2HB GLN 61 14.511 -7.121 12.884 505 HB3 GLN 61 1HB GLN 61 14.718 -8.792 12.375 506 HG2 GLN 61 2HG GLN 61 16.301 -7.367 11.206 507 HG3 GLN 61 1HG GLN 61 15.145 -8.027 10.056 508 HE21 GLN 61 1HE2 GLN 61 16.248 -5.158 11.670 509 HE22 GLN 61 2HE2 GLN 61 15.417 -4.026 10.670 510 H ASP 62 H ASP 62 12.925 -10.440 11.501 511 HA ASP 62 HA ASP 62 13.204 -10.697 8.685 512 HB2 ASP 62 2HB ASP 62 14.037 -12.466 10.125 513 HB3 ASP 62 1HB ASP 62 12.441 -12.736 10.826 514 H MET 63 H MET 63 10.398 -11.284 10.856 515 HA MET 63 HA MET 63 8.561 -12.070 8.865 516 HB2 MET 63 2HB MET 63 8.069 -10.826 11.597 517 HB3 MET 63 1HB MET 63 6.773 -11.414 10.565 518 HG2 MET 63 2HG MET 63 7.777 -13.679 10.645 519 HG3 MET 63 1HG MET 63 9.006 -13.071 11.751 520 HE1 MET 63 1HE MET 63 8.470 -12.225 14.264 521 HE2 MET 63 2HE MET 63 6.835 -12.115 14.906 522 HE3 MET 63 3HE MET 63 7.339 -11.035 13.607 523 H VAL 64 H VAL 64 9.187 -8.901 10.321 524 HA VAL 64 HA VAL 64 7.238 -7.438 8.869 525 HB VAL 64 HB VAL 64 9.644 -6.591 10.537 526 HG11 VAL 64 1HG1 VAL 64 7.707 -4.709 9.146 527 HG12 VAL 64 2HG1 VAL 64 9.437 -4.851 8.832 528 HG13 VAL 64 3HG1 VAL 64 8.871 -4.237 10.385 529 HG21 VAL 64 1HG2 VAL 64 6.644 -6.289 10.986 530 HG22 VAL 64 2HG2 VAL 64 7.911 -5.776 12.105 531 HG23 VAL 64 3HG2 VAL 64 7.689 -7.491 11.752 532 H ALA 65 H ALA 65 10.676 -8.150 8.249 533 HA ALA 65 HA ALA 65 11.018 -6.475 5.976 534 HB1 ALA 65 1HB ALA 65 12.923 -7.518 7.131 535 HB2 ALA 65 2HB ALA 65 12.933 -7.931 5.416 536 HB3 ALA 65 3HB ALA 65 12.390 -9.116 6.610 537 H GLY 66 H GLY 66 9.759 -9.738 6.415 538 HA2 GLY 66 2HA GLY 66 9.298 -10.477 3.729 539 HA3 GLY 66 1HA GLY 66 8.413 -11.079 5.133 540 H TYR 67 H TYR 67 7.234 -8.830 6.129 541 HA TYR 67 HA TYR 67 4.958 -8.499 4.458 542 HB2 TYR 67 2HB TYR 67 5.761 -6.917 6.932 543 HB3 TYR 67 1HB TYR 67 4.165 -6.907 6.193 544 HD1 TYR 67 HD1 TYR 67 5.311 -7.815 9.096 545 HD2 TYR 67 HD2 TYR 67 3.812 -9.872 5.653 546 HE1 TYR 67 HE1 TYR 67 4.606 -9.693 10.514 547 HE2 TYR 67 HE2 TYR 67 3.115 -11.742 7.083 548 HH TYR 67 HH TYR 67 2.940 -11.540 10.449 549 H ILE 68 H ILE 68 7.813 -6.569 5.039 550 HA ILE 68 HA ILE 68 6.932 -4.101 3.928 551 HB ILE 68 HB ILE 68 9.642 -5.194 4.775 552 HG12 ILE 68 2HG1 ILE 68 8.017 -2.750 5.625 553 HG13 ILE 68 1HG1 ILE 68 8.161 -4.256 6.519 554 HG21 ILE 68 1HG2 ILE 68 9.301 -2.591 3.250 555 HG22 ILE 68 2HG2 ILE 68 10.212 -4.006 2.722 556 HG23 ILE 68 3HG2 ILE 68 10.764 -3.071 4.111 557 HD11 ILE 68 1HD1 ILE 68 10.359 -2.249 6.021 558 HD12 ILE 68 2HD1 ILE 68 10.557 -3.789 6.864 559 HD13 ILE 68 3HD1 ILE 68 9.504 -2.544 7.536 560 H LYS 69 H LYS 69 9.180 -6.628 2.673 561 HA LYS 69 HA LYS 69 9.364 -5.430 0.093 562 HB2 LYS 69 2HB LYS 69 10.094 -8.231 1.008 563 HB3 LYS 69 1HB LYS 69 10.445 -7.594 -0.597 564 HG2 LYS 69 2HG LYS 69 11.811 -5.779 0.488 565 HG3 LYS 69 1HG LYS 69 11.555 -6.585 2.042 566 HD2 LYS 69 2HD LYS 69 12.674 -8.620 1.167 567 HD3 LYS 69 1HD LYS 69 12.921 -7.817 -0.386 568 HE2 LYS 69 2HE LYS 69 14.964 -7.770 0.971 569 HE3 LYS 69 1HE LYS 69 14.354 -6.138 0.702 570 HZ1 LYS 69 1HZ LYS 69 13.377 -6.183 2.905 571 HZ2 LYS 69 2HZ LYS 69 15.041 -6.444 2.982 572 HZ3 LYS 69 3HZ LYS 69 13.975 -7.739 3.173 573 H GLN 70 H GLN 70 7.148 -7.801 1.502 574 HA GLN 70 HA GLN 70 5.917 -8.680 -0.899 575 HB2 GLN 70 2HB GLN 70 5.468 -9.847 1.212 576 HB3 GLN 70 1HB GLN 70 4.746 -8.402 1.906 577 HG2 GLN 70 2HG GLN 70 2.990 -9.953 1.325 578 HG3 GLN 70 1HG GLN 70 2.883 -8.564 0.253 579 HE21 GLN 70 1HE2 GLN 70 1.818 -11.257 -0.101 580 HE22 GLN 70 2HE2 GLN 70 2.469 -11.850 -1.584 581 H THR 71 H THR 71 4.902 -6.113 1.418 582 HA THR 71 HA THR 71 2.752 -5.248 -0.193 583 HB THR 71 HB THR 71 2.814 -4.825 2.265 584 HG1 THR 71 HG1 THR 71 2.442 -2.591 0.526 585 HG21 THR 71 1HG2 THR 71 3.954 -2.835 3.159 586 HG22 THR 71 2HG2 THR 71 4.723 -2.551 1.597 587 HG23 THR 71 3HG2 THR 71 5.141 -3.988 2.535 588 H LEU 72 H LEU 72 6.123 -4.228 -0.036 589 HA LEU 72 HA LEU 72 5.832 -1.872 -1.610 590 HB2 LEU 72 2HB LEU 72 8.231 -3.572 -0.851 591 HB3 LEU 72 1HB LEU 72 8.400 -2.270 -2.019 592 HG LEU 72 HG LEU 72 7.507 -1.947 0.875 593 HD11 LEU 72 1HD1 LEU 72 10.081 -1.086 -0.494 594 HD12 LEU 72 2HD1 LEU 72 9.906 -2.399 0.671 595 HD13 LEU 72 3HD1 LEU 72 9.628 -0.737 1.180 596 HD21 LEU 72 1HD2 LEU 72 7.580 0.493 0.422 597 HD22 LEU 72 2HD2 LEU 72 6.334 -0.323 -0.509 598 HD23 LEU 72 3HD2 LEU 72 7.840 0.162 -1.293 599 H ASP 73 H ASP 73 6.828 -5.208 -2.429 600 HA ASP 73 HA ASP 73 7.227 -4.872 -5.200 601 HB2 ASP 73 2HB ASP 73 7.967 -6.910 -4.069 602 HB3 ASP 73 1HB ASP 73 6.320 -7.319 -3.608 603 H ASN 74 H ASN 74 4.339 -5.643 -3.341 604 HA ASN 74 HA ASN 74 2.637 -6.207 -5.588 605 HB2 ASN 74 2HB ASN 74 2.075 -5.885 -2.613 606 HB3 ASN 74 1HB ASN 74 0.839 -6.305 -3.790 607 HD21 ASN 74 1HD2 ASN 74 4.133 -7.648 -4.102 608 HD22 ASN 74 2HD2 ASN 74 3.689 -9.238 -3.610 609 H GLU 75 H GLU 75 3.197 -3.444 -3.431 610 HA GLU 75 HA GLU 75 1.101 -1.823 -4.577 611 HB2 GLU 75 2HB GLU 75 1.875 -1.502 -2.210 612 HB3 GLU 75 1HB GLU 75 3.422 -0.918 -2.814 613 HG2 GLU 75 2HG GLU 75 2.120 0.916 -4.026 614 HG3 GLU 75 1HG GLU 75 0.700 0.393 -3.127 615 H GLN 76 H GLN 76 4.469 -2.411 -5.246 616 HA GLN 76 HA GLN 76 4.994 -0.171 -6.930 617 HB2 GLN 76 2HB GLN 76 6.794 -1.587 -6.013 618 HB3 GLN 76 1HB GLN 76 6.204 -2.972 -6.923 619 HG2 GLN 76 2HG GLN 76 6.794 -1.882 -9.027 620 HG3 GLN 76 1HG GLN 76 7.300 -0.428 -8.167 621 HE21 GLN 76 1HE2 GLN 76 8.826 -2.231 -9.948 622 HE22 GLN 76 2HE2 GLN 76 10.186 -2.756 -9.018 623 H LEU 77 H LEU 77 3.962 -3.507 -7.522 624 HA LEU 77 HA LEU 77 3.375 -3.312 -10.273 625 HB2 LEU 77 2HB LEU 77 2.344 -5.147 -8.086 626 HB3 LEU 77 1HB LEU 77 1.884 -5.345 -9.770 627 HG LEU 77 HG LEU 77 4.777 -5.451 -8.820 628 HD11 LEU 77 1HD1 LEU 77 3.522 -7.266 -7.757 629 HD12 LEU 77 2HD1 LEU 77 4.631 -7.892 -8.976 630 HD13 LEU 77 3HD1 LEU 77 2.903 -7.781 -9.329 631 HD21 LEU 77 1HD2 LEU 77 3.492 -6.326 -11.432 632 HD22 LEU 77 2HD2 LEU 77 5.198 -6.506 -11.003 633 HD23 LEU 77 3HD2 LEU 77 4.510 -4.897 -11.197 634 H LEU 78 H LEU 78 1.376 -2.740 -7.367 635 HA LEU 78 HA LEU 78 -1.092 -2.194 -8.561 636 HB2 LEU 78 2HB LEU 78 0.173 -1.359 -5.954 637 HB3 LEU 78 1HB LEU 78 -1.270 -0.500 -6.446 638 HG LEU 78 HG LEU 78 -1.156 -3.525 -6.135 639 HD11 LEU 78 1HD1 LEU 78 -2.251 -1.484 -4.165 640 HD12 LEU 78 2HD1 LEU 78 -0.780 -2.436 -3.954 641 HD13 LEU 78 3HD1 LEU 78 -2.345 -3.245 -4.015 642 HD21 LEU 78 1HD2 LEU 78 -3.616 -3.349 -6.215 643 HD22 LEU 78 2HD2 LEU 78 -2.877 -2.744 -7.693 644 HD23 LEU 78 3HD2 LEU 78 -3.490 -1.610 -6.486 645 H LYS 79 H LYS 79 1.370 0.243 -7.565 646 HA LYS 79 HA LYS 79 -0.120 2.393 -8.627 647 HB2 LYS 79 2HB LYS 79 1.698 3.856 -7.975 648 HB3 LYS 79 1HB LYS 79 1.397 2.688 -6.707 649 HG2 LYS 79 2HG LYS 79 3.728 2.911 -6.732 650 HG3 LYS 79 1HG LYS 79 3.451 1.412 -7.617 651 HD2 LYS 79 2HD LYS 79 3.901 2.487 -9.732 652 HD3 LYS 79 1HD LYS 79 3.851 4.094 -9.003 653 HE2 LYS 79 2HE LYS 79 6.160 3.275 -9.547 654 HE3 LYS 79 1HE LYS 79 5.931 3.710 -7.855 655 HZ1 LYS 79 1HZ LYS 79 5.771 1.429 -7.269 656 HZ2 LYS 79 2HZ LYS 79 7.169 1.639 -8.194 657 HZ3 LYS 79 3HZ LYS 79 5.798 0.937 -8.889 658 H GLY 80 H GLY 80 2.381 0.355 -9.981 659 HA2 GLY 80 2HA GLY 80 2.985 1.884 -12.304 660 HA3 GLY 80 1HA GLY 80 3.230 0.156 -12.106 661 H LEU 81 H LEU 81 0.808 -0.881 -11.788 662 HA LEU 81 HA LEU 81 -0.347 -1.025 -14.347 663 HB2 LEU 81 2HB LEU 81 -0.413 -2.823 -12.688 664 HB3 LEU 81 1HB LEU 81 -1.399 -1.862 -11.612 665 HG LEU 81 HG LEU 81 -2.473 -2.705 -14.340 666 HD11 LEU 81 1HD1 LEU 81 -1.713 -4.772 -13.275 667 HD12 LEU 81 2HD1 LEU 81 -3.473 -4.705 -13.303 668 HD13 LEU 81 3HD1 LEU 81 -2.604 -4.373 -11.802 669 HD21 LEU 81 1HD2 LEU 81 -3.814 -1.033 -13.131 670 HD22 LEU 81 2HD2 LEU 81 -3.889 -2.084 -11.716 671 HD23 LEU 81 3HD2 LEU 81 -4.677 -2.568 -13.222 672 H LEU 82 H LEU 82 -1.300 0.740 -11.450 673 HA LEU 82 HA LEU 82 -3.873 1.549 -12.407 674 HB2 LEU 82 2HB LEU 82 -2.254 2.177 -9.924 675 HB3 LEU 82 1HB LEU 82 -3.819 2.922 -10.217 676 HG LEU 82 HG LEU 82 -3.473 -0.103 -10.138 677 HD11 LEU 82 1HD1 LEU 82 -4.262 -0.078 -7.817 678 HD12 LEU 82 2HD1 LEU 82 -4.242 1.688 -7.809 679 HD13 LEU 82 3HD1 LEU 82 -2.733 0.787 -7.971 680 HD21 LEU 82 1HD2 LEU 82 -5.885 -0.093 -9.756 681 HD22 LEU 82 2HD2 LEU 82 -5.489 0.735 -11.257 682 HD23 LEU 82 3HD2 LEU 82 -5.913 1.670 -9.819 683 H GLN 83 H GLN 83 -0.697 3.137 -12.016 684 HA GLN 83 HA GLN 83 -1.474 5.709 -12.892 685 HB2 GLN 83 2HB GLN 83 0.734 5.323 -11.867 686 HB3 GLN 83 1HB GLN 83 1.226 4.310 -13.213 687 HG2 GLN 83 2HG GLN 83 0.498 7.225 -13.636 688 HG3 GLN 83 1HG GLN 83 2.106 6.762 -13.101 689 HE21 GLN 83 1HE2 GLN 83 1.108 8.031 -15.648 690 HE22 GLN 83 2HE2 GLN 83 1.744 7.041 -16.911 691 H GLN 84 H GLN 84 -0.168 2.889 -14.662 692 HA GLN 84 HA GLN 84 -0.227 3.870 -17.273 693 HB2 GLN 84 2HB GLN 84 0.889 1.776 -16.652 694 HB3 GLN 84 1HB GLN 84 -0.655 1.027 -16.266 695 HG2 GLN 84 2HG GLN 84 -1.310 1.172 -18.647 696 HG3 GLN 84 1HG GLN 84 0.240 1.912 -19.024 697 HE21 GLN 84 1HE2 GLN 84 -0.186 -0.791 -16.755 698 HE22 GLN 84 2HE2 GLN 84 0.630 -1.953 -17.730 699 H ARG 85 H ARG 85 -2.766 2.338 -15.381 700 HA ARG 85 HA ARG 85 -4.693 1.960 -17.420 701 HB2 ARG 85 2HB ARG 85 -4.739 0.715 -15.262 702 HB3 ARG 85 1HB ARG 85 -5.078 2.210 -14.399 703 HG2 ARG 85 2HG ARG 85 -7.112 0.860 -14.657 704 HG3 ARG 85 1HG ARG 85 -7.263 2.391 -15.526 705 HD2 ARG 85 2HD ARG 85 -8.175 0.489 -16.811 706 HD3 ARG 85 1HD ARG 85 -6.828 1.258 -17.654 707 HE ARG 85 HE ARG 85 -5.702 -0.803 -16.217 708 HH11 ARG 85 1HH1 ARG 85 -8.166 -0.629 -18.740 709 HH12 ARG 85 2HH1 ARG 85 -7.801 -2.213 -19.348 710 HH21 ARG 85 1HH2 ARG 85 -5.224 -2.837 -17.057 711 HH22 ARG 85 2HH2 ARG 85 -6.139 -3.458 -18.395 712 H LEU 86 H LEU 86 -4.326 4.459 -14.882 713 HA LEU 86 HA LEU 86 -6.572 6.026 -15.728 714 HB2 LEU 86 2HB LEU 86 -4.235 6.733 -13.913 715 HB3 LEU 86 1HB LEU 86 -5.674 7.721 -14.116 716 HG LEU 86 HG LEU 86 -5.670 4.899 -12.971 717 HD11 LEU 86 1HD1 LEU 86 -5.921 7.540 -11.492 718 HD12 LEU 86 2HD1 LEU 86 -4.515 6.472 -11.482 719 HD13 LEU 86 3HD1 LEU 86 -6.034 5.922 -10.789 720 HD21 LEU 86 1HD2 LEU 86 -7.924 6.931 -13.137 721 HD22 LEU 86 2HD2 LEU 86 -7.993 5.375 -12.306 722 HD23 LEU 86 3HD2 LEU 86 -7.795 5.426 -14.055 723 H ASP 87 H ASP 87 -3.218 5.955 -16.616 724 HA ASP 87 HA ASP 87 -2.963 8.596 -17.703 725 HB2 ASP 87 2HB ASP 87 -1.046 7.031 -16.952 726 HB3 ASP 87 1HB ASP 87 -1.290 6.128 -18.443 727 H GLU 88 H GLU 88 -3.421 5.349 -19.091 728 HA GLU 88 HA GLU 88 -3.977 6.046 -21.740 729 HB2 GLU 88 2HB GLU 88 -4.953 3.718 -20.038 730 HB3 GLU 88 1HB GLU 88 -5.309 3.847 -21.754 731 HG2 GLU 88 2HG GLU 88 -2.503 3.766 -20.611 732 HG3 GLU 88 1HG GLU 88 -3.378 2.350 -21.181 733 H LEU 89 H LEU 89 -6.271 5.473 -19.036 734 HA LEU 89 HA LEU 89 -8.673 6.095 -20.256 735 HB2 LEU 89 2HB LEU 89 -7.815 6.444 -17.358 736 HB3 LEU 89 1HB LEU 89 -9.461 6.766 -17.880 737 HG LEU 89 HG LEU 89 -8.064 4.064 -18.085 738 HD11 LEU 89 1HD1 LEU 89 -9.553 3.335 -16.276 739 HD12 LEU 89 2HD1 LEU 89 -10.226 4.963 -16.149 740 HD13 LEU 89 3HD1 LEU 89 -8.532 4.674 -15.750 741 HD21 LEU 89 1HD2 LEU 89 -9.714 4.374 -19.876 742 HD22 LEU 89 2HD2 LEU 89 -10.948 4.807 -18.692 743 HD23 LEU 89 3HD2 LEU 89 -10.272 3.176 -18.710 744 H SER 90 H SER 90 -6.337 8.338 -18.782 745 HA SER 90 HA SER 90 -7.900 10.704 -19.045 746 HB2 SER 90 2HB SER 90 -4.874 10.358 -18.903 747 HB3 SER 90 1HB SER 90 -5.692 11.920 -18.850 748 HG SER 90 HG SER 90 -6.358 9.857 -17.044 749 H SER 91 H SER 91 -5.479 9.146 -21.130 750 HA SER 91 HA SER 91 -5.555 11.025 -23.264 751 HB2 SER 91 2HB SER 91 -3.681 9.462 -22.903 752 HB3 SER 91 1HB SER 91 -4.729 8.092 -23.265 753 HG SER 91 HG SER 91 -3.771 8.493 -25.155 754 H LEU 92 H LEU 92 -7.674 8.334 -22.445 755 HA LEU 92 HA LEU 92 -8.828 8.033 -25.100 756 HB2 LEU 92 2HB LEU 92 -9.774 6.878 -22.436 757 HB3 LEU 92 1HB LEU 92 -10.370 6.412 -24.020 758 HG LEU 92 HG LEU 92 -7.618 5.860 -22.865 759 HD11 LEU 92 1HD1 LEU 92 -9.807 3.940 -23.672 760 HD12 LEU 92 2HD1 LEU 92 -9.331 4.358 -22.025 761 HD13 LEU 92 3HD1 LEU 92 -8.206 3.495 -23.072 762 HD21 LEU 92 1HD2 LEU 92 -7.315 6.411 -25.208 763 HD22 LEU 92 2HD2 LEU 92 -8.553 5.242 -25.671 764 HD23 LEU 92 3HD2 LEU 92 -7.045 4.691 -24.935 765 H ILE 93 H ILE 93 -9.759 9.449 -22.001 766 HA ILE 93 HA ILE 93 -12.452 10.131 -22.792 767 HB ILE 93 HB ILE 93 -10.850 10.855 -20.288 768 HG12 ILE 93 2HG1 ILE 93 -13.054 8.760 -20.656 769 HG13 ILE 93 1HG1 ILE 93 -11.336 8.398 -20.579 770 HG21 ILE 93 1HG2 ILE 93 -12.621 12.523 -20.660 771 HG22 ILE 93 2HG2 ILE 93 -13.004 11.518 -19.264 772 HG23 ILE 93 3HG2 ILE 93 -13.824 11.240 -20.802 773 HD11 ILE 93 1HD1 ILE 93 -12.398 7.907 -18.473 774 HD12 ILE 93 2HD1 ILE 93 -13.009 9.555 -18.348 775 HD13 ILE 93 3HD1 ILE 93 -11.271 9.248 -18.272 776 H GLY 94 H GLY 94 -9.395 11.886 -22.284 777 HA2 GLY 94 2HA GLY 94 -10.250 14.039 -24.061 778 HA3 GLY 94 1HA GLY 94 -10.006 14.511 -22.376 779 H GLN 95 H GLN 95 -8.477 14.032 -25.371 780 HA GLN 95 HA GLN 95 -5.918 13.057 -24.607 781 HB2 GLN 95 2HB GLN 95 -6.961 12.938 -26.916 782 HB3 GLN 95 1HB GLN 95 -6.657 14.660 -27.096 783 HG2 GLN 95 2HG GLN 95 -4.927 13.528 -28.268 784 HG3 GLN 95 1HG GLN 95 -4.193 14.155 -26.795 785 HE21 GLN 95 1HE2 GLN 95 -6.214 11.234 -27.046 786 HE22 GLN 95 2HE2 GLN 95 -4.952 10.136 -26.622 787 H VAL 96 H VAL 96 -5.482 14.456 -22.795 788 HA VAL 96 HA VAL 96 -4.109 17.008 -23.464 789 HB VAL 96 HB VAL 96 -5.547 16.509 -20.789 790 HG11 VAL 96 1HG1 VAL 96 -4.547 19.075 -22.085 791 HG12 VAL 96 2HG1 VAL 96 -3.872 18.269 -20.666 792 HG13 VAL 96 3HG1 VAL 96 -5.471 18.998 -20.583 793 HG21 VAL 96 1HG2 VAL 96 -6.752 18.014 -23.151 794 HG22 VAL 96 2HG2 VAL 96 -7.445 17.903 -21.530 795 HG23 VAL 96 3HG2 VAL 96 -7.299 16.455 -22.526 796 H LEU 97 H LEU 97 -2.509 17.381 -21.297 797 HA LEU 97 HA LEU 97 -0.667 15.313 -21.119 798 HB2 LEU 97 2HB LEU 97 -1.196 17.696 -19.325 799 HB3 LEU 97 1HB LEU 97 0.070 16.545 -18.925 800 HG LEU 97 HG LEU 97 -0.058 18.193 -21.482 801 HD11 LEU 97 1HD1 LEU 97 1.878 19.403 -20.609 802 HD12 LEU 97 2HD1 LEU 97 1.797 18.489 -19.101 803 HD13 LEU 97 3HD1 LEU 97 0.485 19.584 -19.545 804 HD21 LEU 97 1HD2 LEU 97 2.080 16.250 -20.534 805 HD22 LEU 97 2HD2 LEU 97 2.199 17.303 -21.946 806 HD23 LEU 97 3HD2 LEU 97 0.990 16.026 -21.905 807 H PHE 98 H PHE 98 -1.678 13.421 -20.796 808 HA PHE 98 HA PHE 98 -3.351 12.546 -18.776 809 HB2 PHE 98 2HB PHE 98 -2.152 10.244 -19.303 810 HB3 PHE 98 1HB PHE 98 -3.148 11.031 -20.515 811 HD1 PHE 98 HD1 PHE 98 0.458 11.525 -19.479 812 HD2 PHE 98 HD2 PHE 98 -2.259 10.569 -22.641 813 HE1 PHE 98 HE1 PHE 98 2.326 11.460 -21.065 814 HE2 PHE 98 HE2 PHE 98 -0.371 10.499 -24.222 815 HZ PHE 98 HZ PHE 98 1.921 10.945 -23.435 816 H GLN 99 H GLN 99 -2.911 11.125 -16.931 817 HA GLN 99 HA GLN 99 -2.327 11.130 -14.751 818 HB2 GLN 99 2HB GLN 99 -0.348 9.864 -15.623 819 HB3 GLN 99 1HB GLN 99 0.518 11.380 -15.832 820 HG2 GLN 99 2HG GLN 99 0.279 11.721 -13.307 821 HG3 GLN 99 1HG GLN 99 -0.294 10.056 -13.223 822 HE21 GLN 99 1HE2 GLN 99 2.117 11.284 -12.039 823 HE22 GLN 99 2HE2 GLN 99 3.445 10.351 -12.630 824 H GLY 100 H GLY 100 -3.474 13.263 -15.047 825 HA2 GLY 100 2HA GLY 100 -1.830 15.526 -14.027 826 HA3 GLY 100 1HA GLY 100 -3.250 15.720 -15.043 827 HA PRO 101 HA PRO 101 -4.819 14.200 -10.695 828 HB2 PRO 101 2HB PRO 101 -3.133 14.329 -8.562 829 HB3 PRO 101 1HB PRO 101 -3.106 12.959 -9.692 830 HG2 PRO 101 2HG PRO 101 -1.285 15.344 -9.597 831 HG3 PRO 101 1HG PRO 101 -0.873 13.625 -9.791 832 HD2 PRO 101 2HD PRO 101 -1.044 15.347 -11.910 833 HD3 PRO 101 1HD PRO 101 -1.401 13.611 -12.046 834 H SER 102 H SER 102 -3.102 17.073 -11.338 835 HA SER 102 HA SER 102 -4.538 18.631 -9.269 836 HB2 SER 102 2HB SER 102 -2.722 20.317 -9.593 837 HB3 SER 102 1HB SER 102 -2.084 18.755 -9.078 838 HG SER 102 HG SER 102 -1.273 20.093 -11.113 839 H ALA 103 H ALA 103 -5.161 17.705 -12.256 840 HA ALA 103 HA ALA 103 -6.360 20.273 -13.087 841 HB1 ALA 103 1HB ALA 103 -4.755 18.477 -14.957 842 HB2 ALA 103 2HB ALA 103 -4.261 20.064 -14.373 843 HB3 ALA 103 3HB ALA 103 -5.664 19.919 -15.431 844 H GLY 104 H GLY 104 -8.365 20.060 -13.998 845 HA2 GLY 104 2HA GLY 104 -9.751 17.517 -13.831 846 HA3 GLY 104 1HA GLY 104 -10.446 19.075 -14.247 847 H LEU 105 H LEU 105 -8.294 16.565 -15.514 848 HA LEU 105 HA LEU 105 -8.397 17.299 -18.264 849 HB2 LEU 105 2HB LEU 105 -7.825 14.545 -17.091 850 HB3 LEU 105 1HB LEU 105 -7.352 15.119 -18.686 851 HG LEU 105 HG LEU 105 -6.271 16.135 -16.030 852 HD11 LEU 105 1HD1 LEU 105 -4.160 15.084 -16.740 853 HD12 LEU 105 2HD1 LEU 105 -4.960 14.427 -18.170 854 HD13 LEU 105 3HD1 LEU 105 -5.457 13.902 -16.558 855 HD21 LEU 105 1HD2 LEU 105 -4.690 17.464 -17.366 856 HD22 LEU 105 2HD2 LEU 105 -6.353 17.956 -17.663 857 HD23 LEU 105 3HD2 LEU 105 -5.503 16.962 -18.849 858 H VAL 106 H VAL 106 -10.091 14.908 -16.322 859 HA VAL 106 HA VAL 106 -11.857 14.108 -18.507 860 HB VAL 106 HB VAL 106 -12.684 12.378 -16.985 861 HG11 VAL 106 1HG1 VAL 106 -9.646 12.541 -16.915 862 HG12 VAL 106 2HG1 VAL 106 -10.635 11.871 -18.215 863 HG13 VAL 106 3HG1 VAL 106 -10.602 11.078 -16.641 864 HG21 VAL 106 1HG2 VAL 106 -11.804 12.083 -14.673 865 HG22 VAL 106 2HG2 VAL 106 -12.704 13.588 -14.851 866 HG23 VAL 106 3HG2 VAL 106 -10.942 13.622 -14.813 867 HA PRO 107 HA PRO 107 -15.311 16.884 -17.267 868 HB2 PRO 107 2HB PRO 107 -16.861 14.405 -18.075 869 HB3 PRO 107 1HB PRO 107 -17.159 16.106 -18.502 870 HG2 PRO 107 2HG PRO 107 -16.046 14.477 -20.271 871 HG3 PRO 107 1HG PRO 107 -15.447 16.147 -20.102 872 HD2 PRO 107 2HD PRO 107 -14.216 13.585 -19.128 873 HD3 PRO 107 1HD PRO 107 -13.431 15.052 -19.751 874 H ARG 108 H ARG 108 -17.027 16.914 -15.683 875 HA ARG 108 HA ARG 108 -16.308 15.576 -13.257 876 HB2 ARG 108 2HB ARG 108 -18.376 17.643 -14.009 877 HB3 ARG 108 1HB ARG 108 -18.589 16.776 -12.492 878 HG2 ARG 108 2HG ARG 108 -17.452 18.903 -12.109 879 HG3 ARG 108 1HG ARG 108 -16.403 17.553 -11.707 880 HD2 ARG 108 2HD ARG 108 -15.323 17.865 -14.001 881 HD3 ARG 108 1HD ARG 108 -16.233 19.376 -14.124 882 HE ARG 108 HE ARG 108 -14.591 19.041 -11.743 883 HH11 ARG 108 1HH1 ARG 108 -14.773 20.423 -14.971 884 HH12 ARG 108 2HH1 ARG 108 -13.484 21.544 -14.690 885 HH21 ARG 108 1HH2 ARG 108 -12.855 20.462 -11.421 886 HH22 ARG 108 2HH2 ARG 108 -12.396 21.566 -12.676 887 H GLY 109 H GLY 109 -19.303 15.512 -15.230 888 HA2 GLY 109 2HA GLY 109 -21.050 14.039 -15.357 889 HA3 GLY 109 1HA GLY 109 -19.916 12.777 -14.886 890 H SER 110 H SER 110 -21.267 15.661 -13.340 891 HA SER 110 HA SER 110 -21.710 16.255 -11.253 892 HB2 SER 110 2HB SER 110 -23.259 14.858 -9.895 893 HB3 SER 110 1HB SER 110 -23.808 15.010 -11.563 894 HG SER 110 HG SER 110 -23.264 12.930 -11.936 895 H GLY 111 H GLY 111 -20.997 12.792 -10.600 896 HA2 GLY 111 2HA GLY 111 -18.341 13.451 -9.520 897 HA3 GLY 111 1HA GLY 111 -19.503 12.715 -8.417 898 H GLY 112 H GLY 112 -19.130 12.111 -11.879 899 HA2 GLY 112 2HA GLY 112 -19.207 9.247 -11.460 900 HA3 GLY 112 1HA GLY 112 -19.218 10.089 -12.994 901 H ILE 113 H ILE 113 -17.340 10.330 -14.128 902 HA ILE 113 HA ILE 113 -15.149 8.629 -13.493 903 HB ILE 113 HB ILE 113 -14.019 9.620 -15.510 904 HG12 ILE 113 2HG1 ILE 113 -16.571 11.283 -15.779 905 HG13 ILE 113 1HG1 ILE 113 -14.996 11.923 -15.332 906 HG21 ILE 113 1HG2 ILE 113 -15.466 7.652 -15.736 907 HG22 ILE 113 2HG2 ILE 113 -15.584 8.681 -17.162 908 HG23 ILE 113 3HG2 ILE 113 -16.876 8.693 -15.961 909 HD11 ILE 113 1HD1 ILE 113 -15.718 10.680 -17.981 910 HD12 ILE 113 2HD1 ILE 113 -14.123 11.288 -17.531 911 HD13 ILE 113 3HD1 ILE 113 -15.491 12.394 -17.638 912 H GLU 114 H GLU 114 -15.684 12.136 -13.109 913 HA GLU 114 HA GLU 114 -13.078 12.876 -12.332 914 HB2 GLU 114 2HB GLU 114 -14.848 14.579 -12.696 915 HB3 GLU 114 1HB GLU 114 -15.720 13.998 -11.279 916 HG2 GLU 114 2HG GLU 114 -13.551 14.564 -9.956 917 HG3 GLU 114 1HG GLU 114 -13.071 15.473 -11.385 918 H GLY 115 H GLY 115 -15.843 11.596 -10.458 919 HA2 GLY 115 2HA GLY 115 -14.761 11.698 -7.876 920 HA3 GLY 115 1HA GLY 115 -15.985 10.553 -8.414 921 H MET1001 H MET 1 -14.802 8.982 -10.167 922 HA MET1001 HA MET 1 -13.343 7.081 -8.764 923 HB2 MET1001 2HB MET 1 -14.600 6.545 -10.791 924 HB3 MET1001 1HB MET 1 -13.548 7.563 -11.762 925 HG2 MET1001 2HG MET 1 -11.652 5.994 -11.212 926 HG3 MET1001 1HG MET 1 -12.831 4.936 -10.434 927 HE1 MET1001 1HE MET 1 -13.390 7.104 -13.727 928 HE2 MET1001 2HE MET 1 -12.922 5.938 -14.962 929 HE3 MET1001 3HE MET 1 -11.703 6.588 -13.870 930 H THR1002 H THR 2 -12.126 9.477 -11.147 931 HA THR1002 HA THR 2 -9.416 8.648 -11.021 932 HB THR1002 HB THR 2 -8.900 10.854 -12.155 933 HG1 THR1002 HG1 THR 2 -11.562 11.384 -12.648 934 HG21 THR1002 1HG2 THR 2 -9.403 8.853 -13.511 935 HG22 THR1002 2HG2 THR 2 -10.034 10.310 -14.281 936 HG23 THR1002 3HG2 THR 2 -11.131 9.220 -13.432 937 H THR1003 H THR 3 -11.230 11.183 -9.297 938 HA THR1003 HA THR 3 -9.080 12.515 -8.065 939 HB THR1003 HB THR 3 -11.958 12.203 -7.073 940 HG1 THR1003 HG1 THR 3 -11.371 13.311 -9.181 941 HG21 THR1003 1HG2 THR 3 -10.461 12.934 -5.220 942 HG22 THR1003 2HG2 THR 3 -11.555 14.226 -5.711 943 HG23 THR1003 3HG2 THR 3 -9.867 14.256 -6.227 944 H ARG1004 H ARG 4 -11.181 9.876 -6.889 945 HA ARG1004 HA ARG 4 -10.006 9.335 -4.424 946 HB2 ARG1004 2HB ARG 4 -11.210 7.353 -6.397 947 HB3 ARG1004 1HB ARG 4 -10.879 7.008 -4.701 948 HG2 ARG1004 2HG ARG 4 -12.554 8.602 -3.986 949 HG3 ARG1004 1HG ARG 4 -12.812 9.139 -5.647 950 HD2 ARG1004 2HD ARG 4 -13.594 6.847 -6.236 951 HD3 ARG1004 1HD ARG 4 -13.398 6.370 -4.543 952 HE ARG1004 HE ARG 4 -15.081 8.660 -4.851 953 HH11 ARG1004 1HH1 ARG 4 -15.061 5.154 -4.966 954 HH12 ARG1004 2HH1 ARG 4 -16.760 5.008 -4.652 955 HH21 ARG1004 1HH2 ARG 4 -17.320 8.476 -4.515 956 HH22 ARG1004 2HH2 ARG 4 -18.048 6.904 -4.396 957 H LEU1005 H LEU 5 -9.258 7.911 -7.612 958 HA LEU1005 HA LEU 5 -7.179 6.224 -6.628 959 HB2 LEU1005 2HB LEU 5 -8.177 6.880 -9.408 960 HB3 LEU1005 1HB LEU 5 -6.754 5.881 -9.173 961 HG LEU1005 HG LEU 5 -9.549 5.216 -8.155 962 HD11 LEU1005 1HD1 LEU 5 -9.386 5.008 -10.590 963 HD12 LEU1005 2HD1 LEU 5 -9.530 3.421 -9.840 964 HD13 LEU1005 3HD1 LEU 5 -7.959 3.979 -10.430 965 HD21 LEU1005 1HD2 LEU 5 -8.609 3.019 -7.530 966 HD22 LEU1005 2HD2 LEU 5 -7.838 4.326 -6.637 967 HD23 LEU1005 3HD2 LEU 5 -6.995 3.570 -7.990 968 H THR1006 H THR 6 -7.117 9.542 -7.785 969 HA THR1006 HA THR 6 -4.257 9.509 -8.350 970 HB THR1006 HB THR 6 -4.490 12.045 -8.447 971 HG1 THR1006 HG1 THR 6 -7.275 11.711 -8.526 972 HG21 THR1006 1HG2 THR 6 -6.337 10.455 -10.268 973 HG22 THR1006 2HG2 THR 6 -4.604 10.690 -10.505 974 HG23 THR1006 3HG2 THR 6 -5.700 12.068 -10.601 975 H ARG1007 H ARG 7 -6.376 10.660 -5.711 976 HA ARG1007 HA ARG 7 -4.322 11.555 -3.953 977 HB2 ARG1007 2HB ARG 7 -7.006 10.359 -3.158 978 HB3 ARG1007 1HB ARG 7 -5.989 11.379 -2.150 979 HG2 ARG1007 2HG ARG 7 -7.492 12.201 -4.640 980 HG3 ARG1007 1HG ARG 7 -7.876 12.649 -2.984 981 HD2 ARG1007 2HD ARG 7 -5.730 13.905 -2.867 982 HD3 ARG1007 1HD ARG 7 -5.419 13.486 -4.558 983 HE ARG1007 HE ARG 7 -7.956 14.761 -4.196 984 HH11 ARG1007 1HH1 ARG 7 -4.518 15.428 -4.564 985 HH12 ARG1007 2HH1 ARG 7 -4.780 17.030 -5.176 986 HH21 ARG1007 1HH2 ARG 7 -8.282 16.860 -4.956 987 HH22 ARG1007 2HH2 ARG 7 -6.925 17.844 -5.398 988 H TRP1008 H TRP 8 -5.827 8.462 -4.539 989 HA TRP1008 HA TRP 8 -4.629 6.836 -2.597 990 HB2 TRP1008 2HB TRP 8 -6.509 5.955 -3.698 991 HB3 TRP1008 1HB TRP 8 -5.937 6.427 -5.286 992 HD1 TRP1008 HD1 TRP 8 -4.690 4.636 -6.694 993 HE1 TRP1008 HE1 TRP 8 -4.168 2.168 -6.336 994 HE3 TRP1008 HE3 TRP 8 -5.771 4.250 -1.720 995 HZ2 TRP1008 HZ2 TRP 8 -4.214 0.273 -4.287 996 HZ3 TRP1008 HZ3 TRP 8 -5.512 2.065 -0.628 997 HH2 TRP1008 HH2 TRP 8 -4.743 0.124 -1.892 998 H LEU1009 H LEU 9 -3.624 7.488 -6.012 999 HA LEU1009 HA LEU 9 -1.316 5.842 -5.947 1000 HB2 LEU1009 2HB LEU 9 -2.125 8.096 -7.809 1001 HB3 LEU1009 1HB LEU 9 -0.601 7.245 -8.011 1002 HG LEU1009 HG LEU 9 -3.388 6.041 -8.254 1003 HD11 LEU1009 1HD1 LEU 9 -1.226 6.462 -10.346 1004 HD12 LEU1009 2HD1 LEU 9 -2.722 7.387 -10.186 1005 HD13 LEU1009 3HD1 LEU 9 -2.792 5.679 -10.605 1006 HD21 LEU1009 1HD2 LEU 9 -2.291 3.933 -8.876 1007 HD22 LEU1009 2HD2 LEU 9 -1.913 4.390 -7.220 1008 HD23 LEU1009 3HD2 LEU 9 -0.712 4.626 -8.493 1009 H THR1010 H THR 10 -1.739 9.305 -5.196 1010 HA THR1010 HA THR 10 1.099 9.771 -4.940 1011 HB THR1010 HB THR 10 -0.476 11.634 -5.501 1012 HG1 THR1010 HG1 THR 10 1.609 12.031 -4.551 1013 HG21 THR1010 1HG2 THR 10 -2.333 11.135 -3.978 1014 HG22 THR1010 2HG2 THR 10 -1.718 12.760 -3.686 1015 HG23 THR1010 3HG2 THR 10 -1.302 11.449 -2.581 1016 H ALA1011 H ALA 11 -1.490 8.726 -2.771 1017 HA ALA1011 HA ALA 11 0.021 8.900 -0.335 1018 HB1 ALA1011 1HB ALA 11 -2.388 7.176 -0.997 1019 HB2 ALA1011 2HB ALA 11 -2.438 8.816 -0.350 1020 HB3 ALA1011 3HB ALA 11 -1.762 7.508 0.624 1021 H LEU1012 H LEU 12 -0.407 6.403 -2.819 1022 HA LEU1012 HA LEU 12 1.048 4.309 -1.550 1023 HB2 LEU1012 2HB LEU 12 0.723 4.808 -4.549 1024 HB3 LEU1012 1HB LEU 12 1.282 3.318 -3.809 1025 HG LEU1012 HG LEU 12 -1.524 4.454 -3.828 1026 HD11 LEU1012 1HD1 LEU 12 -2.108 2.282 -4.811 1027 HD12 LEU1012 2HD1 LEU 12 -0.421 1.777 -4.724 1028 HD13 LEU1012 3HD1 LEU 12 -0.888 3.121 -5.767 1029 HD21 LEU1012 1HD2 LEU 12 -1.182 3.777 -1.531 1030 HD22 LEU1012 2HD2 LEU 12 -0.525 2.219 -2.038 1031 HD23 LEU1012 3HD2 LEU 12 -2.224 2.604 -2.335 1032 H ASP1013 H ASP 13 1.881 6.853 -3.833 1033 HA ASP1013 HA ASP 13 4.600 6.303 -4.227 1034 HB2 ASP1013 2HB ASP 13 3.267 7.810 -5.682 1035 HB3 ASP1013 1HB ASP 13 3.129 8.977 -4.371 1036 H ASN1014 H ASN 14 2.888 8.219 -1.823 1037 HA ASN1014 HA ASN 14 5.066 9.345 -0.441 1038 HB2 ASN1014 2HB ASN 14 2.823 10.217 -0.063 1039 HB3 ASN1014 1HB ASN 14 2.250 8.654 0.518 1040 HD21 ASN1014 1HD2 ASN 14 2.737 8.040 2.650 1041 HD22 ASN1014 2HD2 ASN 14 3.426 9.124 3.806 1042 H PHE1015 H PHE 15 3.158 6.368 0.191 1043 HA PHE1015 HA PHE 15 4.549 5.530 2.487 1044 HB2 PHE1015 2HB PHE 15 2.399 4.566 2.029 1045 HB3 PHE1015 1HB PHE 15 2.894 4.008 0.435 1046 HD1 PHE1015 HD1 PHE 15 3.433 1.768 0.218 1047 HD2 PHE1015 HD2 PHE 15 3.833 3.527 4.070 1048 HE1 PHE1015 HE1 PHE 15 3.998 -0.422 1.126 1049 HE2 PHE1015 HE2 PHE 15 4.423 1.314 4.998 1050 HZ PHE1015 HZ PHE 15 4.498 -0.663 3.525 1051 H GLU1016 H GLU 16 4.771 4.176 -0.812 1052 HA GLU1016 HA GLU 16 6.921 2.570 -0.722 1053 HB2 GLU1016 2HB GLU 16 5.476 2.931 -2.696 1054 HB3 GLU1016 1HB GLU 16 6.224 4.502 -2.970 1055 HG2 GLU1016 2HG GLU 16 8.380 3.398 -3.421 1056 HG3 GLU1016 1HG GLU 16 7.645 1.826 -3.118 1057 H ALA1017 H ALA 17 7.165 6.080 -1.469 1058 HA ALA1017 HA ALA 17 9.985 6.154 -1.712 1059 HB1 ALA1017 1HB ALA 17 9.777 8.588 -1.686 1060 HB2 ALA1017 2HB ALA 17 8.120 8.465 -1.085 1061 HB3 ALA1017 3HB ALA 17 8.525 7.868 -2.697 1062 H LYS1018 H LYS 18 7.917 7.282 0.995 1063 HA LYS1018 HA LYS 18 10.020 8.171 2.655 1064 HB2 LYS1018 2HB LYS 18 7.190 7.340 3.398 1065 HB3 LYS1018 1HB LYS 18 8.287 8.166 4.489 1066 HG2 LYS1018 2HG LYS 18 7.389 9.390 1.868 1067 HG3 LYS1018 1HG LYS 18 6.460 9.550 3.353 1068 HD2 LYS1018 2HD LYS 18 7.721 11.552 3.187 1069 HD3 LYS1018 1HD LYS 18 8.551 10.592 4.407 1070 HE2 LYS1018 2HE LYS 18 10.272 9.977 2.795 1071 HE3 LYS1018 1HE LYS 18 9.401 10.802 1.503 1072 HZ1 LYS1018 1HZ LYS 18 11.243 12.118 2.390 1073 HZ2 LYS1018 2HZ LYS 18 10.511 12.134 3.911 1074 HZ3 LYS1018 3HZ LYS 18 9.758 12.892 2.607 1075 H MET1019 H MET 19 8.340 5.067 2.434 1076 HA MET1019 HA MET 19 9.607 4.042 4.814 1077 HB2 MET1019 2HB MET 19 8.207 2.221 4.724 1078 HB3 MET1019 1HB MET 19 7.228 3.408 3.892 1079 HG2 MET1019 2HG MET 19 7.182 2.179 1.983 1080 HG3 MET1019 1HG MET 19 8.907 1.825 2.050 1081 HE1 MET1019 1HE MET 19 8.893 0.587 5.130 1082 HE2 MET1019 2HE MET 19 9.919 -0.009 3.819 1083 HE3 MET1019 3HE MET 19 8.881 -1.121 4.715 1084 H ALA1020 H ALA 20 10.254 3.980 1.370 1085 HA ALA1020 HA ALA 20 12.418 2.129 1.423 1086 HB1 ALA1020 1HB ALA 20 12.051 4.570 -0.361 1087 HB2 ALA1020 2HB ALA 20 11.448 2.947 -0.692 1088 HB3 ALA1020 3HB ALA 20 13.186 3.241 -0.645 1089 H LEU1021 H LEU 21 12.135 5.583 2.175 1090 HA LEU1021 HA LEU 21 14.950 6.010 2.623 1091 HB2 LEU1021 2HB LEU 21 12.569 7.737 3.423 1092 HB3 LEU1021 1HB LEU 21 14.254 8.229 3.507 1093 HG LEU1021 HG LEU 21 12.675 7.643 0.977 1094 HD11 LEU1021 1HD1 LEU 21 12.130 9.801 1.988 1095 HD12 LEU1021 2HD1 LEU 21 12.998 10.025 0.473 1096 HD13 LEU1021 3HD1 LEU 21 13.838 10.248 2.010 1097 HD21 LEU1021 1HD2 LEU 21 15.603 8.395 1.219 1098 HD22 LEU1021 2HD2 LEU 21 14.686 8.294 -0.287 1099 HD23 LEU1021 3HD2 LEU 21 14.959 6.844 0.673 1100 H LEU1022 H LEU 22 12.326 4.874 4.673 1101 HA LEU1022 HA LEU 22 13.143 5.374 7.245 1102 HB2 LEU1022 2HB LEU 22 12.015 2.825 6.063 1103 HB3 LEU1022 1HB LEU 22 12.371 2.927 7.773 1104 HG LEU1022 HG LEU 22 10.348 4.677 6.309 1105 HD11 LEU1022 1HD1 LEU 22 9.617 2.330 6.426 1106 HD12 LEU1022 2HD1 LEU 22 8.642 3.347 7.481 1107 HD13 LEU1022 3HD1 LEU 22 9.897 2.310 8.172 1108 HD21 LEU1022 1HD2 LEU 22 9.623 5.374 8.546 1109 HD22 LEU1022 2HD2 LEU 22 11.306 5.820 8.262 1110 HD23 LEU1022 3HD2 LEU 22 10.922 4.426 9.280 1111 HA PRO1023 HA PRO 23 17.250 3.285 7.149 1112 HB2 PRO1023 2HB PRO 23 18.585 4.975 8.739 1113 HB3 PRO1023 1HB PRO 23 18.003 5.536 7.156 1114 HG2 PRO1023 2HG PRO 23 16.873 6.085 9.872 1115 HG3 PRO1023 1HG PRO 23 16.986 7.156 8.460 1116 HD2 PRO1023 2HD PRO 23 14.705 5.640 9.231 1117 HD3 PRO1023 1HD PRO 23 14.935 6.504 7.697 1118 H ALA1024 H ALA 24 14.849 2.925 9.203 1119 HA ALA1024 HA ALA 24 16.232 2.264 11.679 1120 HB1 ALA1024 1HB ALA 24 13.973 1.964 12.604 1121 HB2 ALA1024 2HB ALA 24 13.264 2.170 11.000 1122 HB3 ALA1024 3HB ALA 24 14.106 3.515 11.774 1123 H VAL1025 H VAL 25 13.804 0.528 9.664 1124 HA VAL1025 HA VAL 25 14.568 -1.984 10.989 1125 HB VAL1025 HB VAL 25 12.134 -1.408 9.227 1126 HG11 VAL1025 1HG1 VAL 25 11.091 -3.338 10.367 1127 HG12 VAL1025 2HG1 VAL 25 12.584 -3.614 11.270 1128 HG13 VAL1025 3HG1 VAL 25 12.566 -3.809 9.517 1129 HG21 VAL1025 1HG2 VAL 25 10.854 -0.955 11.259 1130 HG22 VAL1025 2HG2 VAL 25 12.205 0.170 11.135 1131 HG23 VAL1025 3HG2 VAL 25 12.295 -1.191 12.254 Start of MODEL 19 1 H1 MET 1 1H MET 1 4.495 -7.396 25.412 2 H2 MET 1 2H MET 1 5.614 -6.136 25.545 3 H3 MET 1 3H MET 1 6.123 -7.732 25.730 4 HA MET 1 HA MET 1 6.719 -6.749 23.580 5 HB2 MET 1 2HB MET 1 6.094 -8.710 22.240 6 HB3 MET 1 1HB MET 1 6.530 -9.215 23.861 7 HG2 MET 1 2HG MET 1 4.194 -9.574 24.432 8 HG3 MET 1 1HG MET 1 3.677 -8.904 22.882 9 HE1 MET 1 1HE MET 1 2.215 -10.992 22.195 10 HE2 MET 1 2HE MET 1 2.539 -11.707 23.778 11 HE3 MET 1 3HE MET 1 2.778 -12.657 22.311 12 H THR 2 H THR 2 4.388 -5.175 24.527 13 HA THR 2 HA THR 2 2.198 -5.072 22.841 14 HB THR 2 HB THR 2 3.593 -2.656 24.101 15 HG1 THR 2 HG1 THR 2 2.941 -3.389 25.953 16 HG21 THR 2 1HG2 THR 2 0.644 -3.070 23.426 17 HG22 THR 2 2HG2 THR 2 1.749 -1.993 22.566 18 HG23 THR 2 3HG2 THR 2 1.324 -1.666 24.248 19 H SER 3 H SER 3 5.312 -3.413 22.513 20 HA SER 3 HA SER 3 4.870 -1.929 20.166 21 HB2 SER 3 2HB SER 3 7.381 -1.819 20.106 22 HB3 SER 3 1HB SER 3 6.733 -1.500 21.718 23 HG SER 3 HG SER 3 8.553 -3.076 21.476 24 H THR 4 H THR 4 6.342 -5.115 20.666 25 HA THR 4 HA THR 4 7.102 -5.833 18.106 26 HB THR 4 HB THR 4 6.102 -7.613 20.381 27 HG1 THR 4 HG1 THR 4 8.631 -6.477 19.766 28 HG21 THR 4 1HG2 THR 4 7.537 -9.378 19.370 29 HG22 THR 4 2HG2 THR 4 7.840 -8.318 17.989 30 HG23 THR 4 3HG2 THR 4 6.206 -8.909 18.305 31 H VAL 5 H VAL 5 4.082 -6.750 19.800 32 HA VAL 5 HA VAL 5 2.817 -8.105 17.710 33 HB VAL 5 HB VAL 5 1.551 -6.630 20.073 34 HG11 VAL 5 1HG1 VAL 5 -0.129 -7.016 18.319 35 HG12 VAL 5 2HG1 VAL 5 -0.436 -8.068 19.700 36 HG13 VAL 5 3HG1 VAL 5 0.312 -8.724 18.242 37 HG21 VAL 5 1HG2 VAL 5 2.278 -9.575 19.774 38 HG22 VAL 5 2HG2 VAL 5 1.481 -8.842 21.170 39 HG23 VAL 5 3HG2 VAL 5 3.139 -8.395 20.767 40 H GLU 6 H GLU 6 2.657 -4.701 18.706 41 HA GLU 6 HA GLU 6 0.555 -3.850 17.052 42 HB2 GLU 6 2HB GLU 6 1.679 -2.636 19.055 43 HB3 GLU 6 1HB GLU 6 2.890 -2.079 17.905 44 HG2 GLU 6 2HG GLU 6 1.219 -0.353 18.233 45 HG3 GLU 6 1HG GLU 6 1.091 -0.991 16.587 46 H PHE 7 H PHE 7 4.077 -3.561 16.614 47 HA PHE 7 HA PHE 7 4.134 -2.251 14.151 48 HB2 PHE 7 2HB PHE 7 5.968 -2.450 15.886 49 HB3 PHE 7 1HB PHE 7 6.250 -4.100 15.345 50 HD1 PHE 7 HD1 PHE 7 8.044 -4.382 13.861 51 HD2 PHE 7 HD2 PHE 7 5.951 -0.644 13.869 52 HE1 PHE 7 HE1 PHE 7 9.609 -3.493 12.190 53 HE2 PHE 7 HE2 PHE 7 7.522 0.233 12.196 54 HZ PHE 7 HZ PHE 7 9.353 -1.187 11.357 55 H ILE 8 H ILE 8 4.548 -5.735 14.891 56 HA ILE 8 HA ILE 8 5.000 -6.682 12.269 57 HB ILE 8 HB ILE 8 3.882 -8.166 14.695 58 HG12 ILE 8 2HG1 ILE 8 6.729 -8.142 13.589 59 HG13 ILE 8 1HG1 ILE 8 6.192 -7.201 14.977 60 HG21 ILE 8 1HG2 ILE 8 4.567 -10.270 13.557 61 HG22 ILE 8 2HG2 ILE 8 4.978 -9.345 12.113 62 HG23 ILE 8 3HG2 ILE 8 3.304 -9.417 12.660 63 HD11 ILE 8 1HD1 ILE 8 6.191 -10.210 14.805 64 HD12 ILE 8 2HD1 ILE 8 5.711 -9.241 16.200 65 HD13 ILE 8 3HD1 ILE 8 7.382 -9.214 15.641 66 H ASN 9 H ASN 9 1.996 -6.556 14.230 67 HA ASN 9 HA ASN 9 0.362 -7.940 12.339 68 HB2 ASN 9 2HB ASN 9 -0.339 -6.269 14.778 69 HB3 ASN 9 1HB ASN 9 -1.562 -7.041 13.779 70 HD21 ASN 9 1HD2 ASN 9 1.575 -8.544 14.562 71 HD22 ASN 9 2HD2 ASN 9 0.912 -9.774 15.570 72 H ARG 10 H ARG 10 1.025 -4.501 12.907 73 HA ARG 10 HA ARG 10 -0.950 -3.488 11.119 74 HB2 ARG 10 2HB ARG 10 1.641 -2.244 12.137 75 HB3 ARG 10 1HB ARG 10 0.543 -1.400 11.046 76 HG2 ARG 10 2HG ARG 10 -1.268 -1.611 12.712 77 HG3 ARG 10 1HG ARG 10 -0.156 -2.418 13.813 78 HD2 ARG 10 2HD ARG 10 1.239 -0.366 13.888 79 HD3 ARG 10 1HD ARG 10 0.099 0.438 12.797 80 HE ARG 10 HE ARG 10 -1.309 -0.564 15.023 81 HH11 ARG 10 1HH1 ARG 10 0.981 2.034 14.318 82 HH12 ARG 10 2HH1 ARG 10 0.419 3.023 15.627 83 HH21 ARG 10 1HH2 ARG 10 -1.953 0.699 16.757 84 HH22 ARG 10 2HH2 ARG 10 -1.242 2.267 17.011 85 H TRP 11 H TRP 11 2.587 -4.094 10.655 86 HA TRP 11 HA TRP 11 2.636 -3.541 7.891 87 HB2 TRP 11 2HB TRP 11 4.451 -5.211 9.657 88 HB3 TRP 11 1HB TRP 11 4.706 -5.177 7.914 89 HD1 TRP 11 HD1 TRP 11 5.843 -3.433 10.901 90 HE1 TRP 11 HE1 TRP 11 6.904 -1.178 10.299 91 HE3 TRP 11 HE3 TRP 11 4.170 -2.954 6.089 92 HZ2 TRP 11 HZ2 TRP 11 7.040 0.585 8.123 93 HZ3 TRP 11 HZ3 TRP 11 4.806 -0.945 4.817 94 HH2 TRP 11 HH2 TRP 11 6.210 0.788 5.819 95 H GLN 12 H GLN 12 1.786 -6.474 9.606 96 HA GLN 12 HA GLN 12 1.762 -8.335 7.486 97 HB2 GLN 12 2HB GLN 12 1.692 -8.960 9.907 98 HB3 GLN 12 1HB GLN 12 0.062 -8.301 10.029 99 HG2 GLN 12 2HG GLN 12 -0.654 -9.996 8.293 100 HG3 GLN 12 1HG GLN 12 0.953 -10.717 8.419 101 HE21 GLN 12 1HE2 GLN 12 -1.552 -11.974 8.960 102 HE22 GLN 12 2HE2 GLN 12 -1.570 -12.419 10.628 103 H ARG 13 H ARG 13 -0.806 -6.400 8.991 104 HA ARG 13 HA ARG 13 -2.980 -7.070 7.396 105 HB2 ARG 13 2HB ARG 13 -3.228 -5.798 9.482 106 HB3 ARG 13 1HB ARG 13 -2.328 -4.441 8.811 107 HG2 ARG 13 2HG ARG 13 -4.726 -3.944 8.855 108 HG3 ARG 13 1HG ARG 13 -4.144 -4.020 7.193 109 HD2 ARG 13 2HD ARG 13 -5.062 -6.326 7.002 110 HD3 ARG 13 1HD ARG 13 -5.690 -6.196 8.649 111 HE ARG 13 HE ARG 13 -6.677 -4.037 7.181 112 HH11 ARG 13 1HH1 ARG 13 -7.023 -7.538 7.166 113 HH12 ARG 13 2HH1 ARG 13 -8.632 -7.498 6.517 114 HH21 ARG 13 1HH2 ARG 13 -8.795 -3.986 6.357 115 HH22 ARG 13 2HH2 ARG 13 -9.637 -5.476 6.057 116 H ILE 14 H ILE 14 -0.545 -4.512 6.963 117 HA ILE 14 HA ILE 14 -1.610 -3.270 4.653 118 HB ILE 14 HB ILE 14 1.262 -3.373 5.690 119 HG12 ILE 14 2HG1 ILE 14 -0.885 -1.236 6.063 120 HG13 ILE 14 1HG1 ILE 14 -0.415 -2.414 7.281 121 HG21 ILE 14 1HG2 ILE 14 1.228 -2.678 3.316 122 HG22 ILE 14 2HG2 ILE 14 1.708 -1.351 4.368 123 HG23 ILE 14 3HG2 ILE 14 0.074 -1.399 3.701 124 HD11 ILE 14 1HD1 ILE 14 0.592 -0.292 7.730 125 HD12 ILE 14 2HD1 ILE 14 1.328 -0.252 6.129 126 HD13 ILE 14 3HD1 ILE 14 1.840 -1.462 7.312 127 H ALA 15 H ALA 15 0.675 -5.964 5.068 128 HA ALA 15 HA ALA 15 1.416 -6.313 2.352 129 HB1 ALA 15 1HB ALA 15 1.324 -8.354 4.598 130 HB2 ALA 15 2HB ALA 15 2.681 -7.299 4.211 131 HB3 ALA 15 3HB ALA 15 2.189 -8.541 3.062 132 H LEU 16 H LEU 16 -1.181 -7.690 4.341 133 HA LEU 16 HA LEU 16 -2.241 -9.474 2.377 134 HB2 LEU 16 2HB LEU 16 -3.567 -8.315 4.864 135 HB3 LEU 16 1HB LEU 16 -4.155 -9.693 3.943 136 HG LEU 16 HG LEU 16 -1.575 -9.582 5.553 137 HD11 LEU 16 1HD1 LEU 16 -4.101 -11.178 6.060 138 HD12 LEU 16 2HD1 LEU 16 -3.567 -9.756 6.961 139 HD13 LEU 16 3HD1 LEU 16 -2.618 -11.240 7.018 140 HD21 LEU 16 1HD2 LEU 16 -1.210 -10.950 3.568 141 HD22 LEU 16 2HD2 LEU 16 -2.662 -11.890 3.914 142 HD23 LEU 16 3HD2 LEU 16 -1.280 -11.966 5.008 143 H LEU 17 H LEU 17 -2.875 -6.138 3.280 144 HA LEU 17 HA LEU 17 -5.242 -5.702 1.782 145 HB2 LEU 17 2HB LEU 17 -3.128 -3.783 2.842 146 HB3 LEU 17 1HB LEU 17 -4.543 -3.225 1.962 147 HG LEU 17 HG LEU 17 -4.698 -4.805 4.560 148 HD11 LEU 17 1HD1 LEU 17 -3.604 -2.619 4.912 149 HD12 LEU 17 2HD1 LEU 17 -5.178 -2.715 5.693 150 HD13 LEU 17 3HD1 LEU 17 -4.998 -1.814 4.187 151 HD21 LEU 17 1HD2 LEU 17 -6.838 -3.273 3.039 152 HD22 LEU 17 2HD2 LEU 17 -7.046 -4.071 4.601 153 HD23 LEU 17 3HD2 LEU 17 -6.704 -5.031 3.166 154 H SER 18 H SER 18 -1.841 -4.734 1.087 155 HA SER 18 HA SER 18 -2.218 -3.787 -1.511 156 HB2 SER 18 2HB SER 18 0.284 -4.143 -1.728 157 HB3 SER 18 1HB SER 18 -0.197 -3.271 -0.271 158 HG SER 18 HG SER 18 0.587 -4.817 0.888 159 H GLN 19 H GLN 19 -1.528 -7.072 -0.351 160 HA GLN 19 HA GLN 19 -1.144 -8.414 -2.797 161 HB2 GLN 19 2HB GLN 19 -0.620 -9.405 -0.612 162 HB3 GLN 19 1HB GLN 19 -2.320 -9.389 -0.162 163 HG2 GLN 19 2HG GLN 19 -2.763 -11.031 -2.012 164 HG3 GLN 19 1HG GLN 19 -1.024 -11.106 -2.299 165 HE21 GLN 19 1HE2 GLN 19 -2.553 -10.874 0.901 166 HE22 GLN 19 2HE2 GLN 19 -2.075 -12.442 1.432 167 H SER 20 H SER 20 -4.146 -8.066 -0.845 168 HA SER 20 HA SER 20 -5.877 -9.399 -2.656 169 HB2 SER 20 2HB SER 20 -7.739 -8.387 -1.319 170 HB3 SER 20 1HB SER 20 -6.512 -9.147 -0.305 171 HG SER 20 HG SER 20 -5.682 -7.106 0.151 172 H LEU 21 H LEU 21 -5.080 -6.015 -2.175 173 HA LEU 21 HA LEU 21 -6.835 -4.787 -3.975 174 HB2 LEU 21 2HB LEU 21 -4.140 -3.917 -2.864 175 HB3 LEU 21 1HB LEU 21 -5.147 -2.866 -3.848 176 HG LEU 21 HG LEU 21 -5.984 -4.014 -1.151 177 HD11 LEU 21 1HD1 LEU 21 -4.125 -2.423 -0.889 178 HD12 LEU 21 2HD1 LEU 21 -5.626 -1.772 -0.235 179 HD13 LEU 21 3HD1 LEU 21 -5.027 -1.207 -1.797 180 HD21 LEU 21 1HD2 LEU 21 -7.898 -3.569 -2.569 181 HD22 LEU 21 2HD2 LEU 21 -7.311 -1.943 -2.916 182 HD23 LEU 21 3HD2 LEU 21 -7.814 -2.369 -1.283 183 H LEU 22 H LEU 22 -3.540 -6.070 -4.313 184 HA LEU 22 HA LEU 22 -3.018 -5.198 -6.938 185 HB2 LEU 22 2HB LEU 22 -1.205 -6.066 -5.554 186 HB3 LEU 22 1HB LEU 22 -1.972 -7.646 -5.461 187 HG LEU 22 HG LEU 22 -1.594 -7.992 -7.890 188 HD11 LEU 22 1HD1 LEU 22 -0.221 -5.284 -7.855 189 HD12 LEU 22 2HD1 LEU 22 -1.738 -5.680 -8.669 190 HD13 LEU 22 3HD1 LEU 22 -0.234 -6.423 -9.204 191 HD21 LEU 22 1HD2 LEU 22 0.955 -7.187 -6.455 192 HD22 LEU 22 2HD2 LEU 22 0.826 -8.277 -7.839 193 HD23 LEU 22 3HD2 LEU 22 0.127 -8.740 -6.291 194 H GLU 23 H GLU 23 -4.397 -8.213 -5.655 195 HA GLU 23 HA GLU 23 -4.885 -9.540 -8.070 196 HB2 GLU 23 2HB GLU 23 -4.969 -10.626 -5.842 197 HB3 GLU 23 1HB GLU 23 -6.443 -9.742 -5.451 198 HG2 GLU 23 2HG GLU 23 -7.628 -10.896 -7.271 199 HG3 GLU 23 1HG GLU 23 -6.149 -11.738 -7.719 200 H LEU 24 H LEU 24 -6.862 -7.202 -6.244 201 HA LEU 24 HA LEU 24 -9.240 -7.305 -7.742 202 HB2 LEU 24 2HB LEU 24 -8.026 -4.891 -6.333 203 HB3 LEU 24 1HB LEU 24 -9.687 -5.009 -6.889 204 HG LEU 24 HG LEU 24 -8.447 -6.673 -4.672 205 HD11 LEU 24 1HD1 LEU 24 -8.749 -4.340 -4.046 206 HD12 LEU 24 2HD1 LEU 24 -9.855 -5.388 -3.161 207 HD13 LEU 24 3HD1 LEU 24 -10.450 -4.420 -4.515 208 HD21 LEU 24 1HD2 LEU 24 -10.186 -7.957 -5.840 209 HD22 LEU 24 2HD2 LEU 24 -11.332 -6.641 -5.589 210 HD23 LEU 24 3HD2 LEU 24 -10.685 -7.521 -4.205 211 H ALA 25 H ALA 25 -6.382 -5.201 -8.088 212 HA ALA 25 HA ALA 25 -7.236 -3.733 -10.343 213 HB1 ALA 25 1HB ALA 25 -4.402 -4.310 -9.425 214 HB2 ALA 25 2HB ALA 25 -5.428 -3.008 -8.831 215 HB3 ALA 25 3HB ALA 25 -4.910 -3.003 -10.512 216 H GLN 26 H GLN 26 -5.475 -6.771 -10.041 217 HA GLN 26 HA GLN 26 -4.838 -7.133 -12.808 218 HB2 GLN 26 2HB GLN 26 -5.005 -9.115 -10.502 219 HB3 GLN 26 1HB GLN 26 -4.412 -9.533 -12.103 220 HG2 GLN 26 2HG GLN 26 -3.139 -7.499 -10.249 221 HG3 GLN 26 1HG GLN 26 -2.602 -9.161 -10.454 222 HE21 GLN 26 1HE2 GLN 26 -1.065 -6.766 -10.862 223 HE22 GLN 26 2HE2 GLN 26 -0.564 -6.766 -12.509 224 H ARG 27 H ARG 27 -7.677 -7.842 -10.829 225 HA ARG 27 HA ARG 27 -8.960 -9.519 -12.874 226 HB2 ARG 27 2HB ARG 27 -9.970 -8.633 -10.132 227 HB3 ARG 27 1HB ARG 27 -10.816 -9.743 -11.205 228 HG2 ARG 27 2HG ARG 27 -8.144 -10.222 -9.862 229 HG3 ARG 27 1HG ARG 27 -9.675 -10.975 -9.432 230 HD2 ARG 27 2HD ARG 27 -9.716 -12.158 -11.576 231 HD3 ARG 27 1HD ARG 27 -8.242 -11.329 -12.087 232 HE ARG 27 HE ARG 27 -7.572 -12.597 -9.739 233 HH11 ARG 27 1HH1 ARG 27 -8.781 -13.636 -12.875 234 HH12 ARG 27 2HH1 ARG 27 -8.020 -15.192 -12.786 235 HH21 ARG 27 1HH2 ARG 27 -6.607 -14.645 -9.622 236 HH22 ARG 27 2HH2 ARG 27 -6.787 -15.767 -10.934 237 H GLY 28 H GLY 28 -8.862 -6.203 -11.968 238 HA2 GLY 28 2HA GLY 28 -9.844 -4.400 -13.095 239 HA3 GLY 28 1HA GLY 28 -10.997 -5.485 -13.849 240 H GLU 29 H GLU 29 -10.666 -5.864 -10.474 241 HA GLU 29 HA GLU 29 -13.244 -4.682 -9.880 242 HB2 GLU 29 2HB GLU 29 -12.674 -6.867 -8.934 243 HB3 GLU 29 1HB GLU 29 -11.244 -6.196 -8.152 244 HG2 GLU 29 2HG GLU 29 -13.078 -6.556 -6.555 245 HG3 GLU 29 1HG GLU 29 -12.631 -4.856 -6.666 246 H TRP 30 H TRP 30 -13.011 -2.510 -10.073 247 HA TRP 30 HA TRP 30 -10.911 -1.010 -8.716 248 HB2 TRP 30 2HB TRP 30 -13.188 0.168 -10.360 249 HB3 TRP 30 1HB TRP 30 -11.623 0.895 -9.993 250 HD1 TRP 30 HD1 TRP 30 -13.316 -0.654 -12.790 251 HE1 TRP 30 HE1 TRP 30 -11.691 -1.651 -14.506 252 HE3 TRP 30 HE3 TRP 30 -9.013 -0.639 -9.995 253 HZ2 TRP 30 HZ2 TRP 30 -8.979 -2.334 -14.679 254 HZ3 TRP 30 HZ3 TRP 30 -6.944 -1.481 -11.027 255 HH2 TRP 30 HH2 TRP 30 -6.932 -2.320 -13.323 256 H ASP 31 H ASP 31 -14.257 -1.865 -8.180 257 HA ASP 31 HA ASP 31 -14.950 0.374 -6.529 258 HB2 ASP 31 2HB ASP 31 -16.257 -2.371 -6.775 259 HB3 ASP 31 1HB ASP 31 -16.910 -1.060 -5.792 260 H LEU 32 H LEU 32 -14.133 -3.047 -5.696 261 HA LEU 32 HA LEU 32 -13.963 -2.583 -2.887 262 HB2 LEU 32 2HB LEU 32 -12.684 -4.766 -4.568 263 HB3 LEU 32 1HB LEU 32 -12.651 -4.735 -2.812 264 HG LEU 32 HG LEU 32 -15.115 -5.075 -4.567 265 HD11 LEU 32 1HD1 LEU 32 -15.228 -7.301 -3.491 266 HD12 LEU 32 2HD1 LEU 32 -13.712 -6.965 -2.642 267 HD13 LEU 32 3HD1 LEU 32 -13.734 -7.081 -4.405 268 HD21 LEU 32 1HD2 LEU 32 -15.701 -3.704 -2.616 269 HD22 LEU 32 2HD2 LEU 32 -14.961 -4.888 -1.537 270 HD23 LEU 32 3HD2 LEU 32 -16.396 -5.320 -2.471 271 H LEU 33 H LEU 33 -11.736 -2.070 -5.507 272 HA LEU 33 HA LEU 33 -9.322 -1.801 -4.064 273 HB2 LEU 33 2HB LEU 33 -9.633 -1.971 -6.609 274 HB3 LEU 33 1HB LEU 33 -10.074 -0.271 -6.581 275 HG LEU 33 HG LEU 33 -7.769 0.178 -5.519 276 HD11 LEU 33 1HD1 LEU 33 -6.026 -1.506 -5.872 277 HD12 LEU 33 2HD1 LEU 33 -7.236 -2.661 -6.443 278 HD13 LEU 33 3HD1 LEU 33 -7.270 -2.096 -4.771 279 HD21 LEU 33 1HD2 LEU 33 -8.242 0.701 -7.857 280 HD22 LEU 33 2HD2 LEU 33 -7.820 -0.946 -8.329 281 HD23 LEU 33 3HD2 LEU 33 -6.585 0.122 -7.651 282 H LEU 34 H LEU 34 -11.806 0.545 -5.059 283 HA LEU 34 HA LEU 34 -10.629 2.823 -3.769 284 HB2 LEU 34 2HB LEU 34 -13.368 2.319 -4.991 285 HB3 LEU 34 1HB LEU 34 -12.926 3.861 -4.277 286 HG LEU 34 HG LEU 34 -11.550 2.594 -6.686 287 HD11 LEU 34 1HD1 LEU 34 -13.804 3.374 -7.251 288 HD12 LEU 34 2HD1 LEU 34 -12.587 4.403 -7.999 289 HD13 LEU 34 3HD1 LEU 34 -13.452 4.964 -6.565 290 HD21 LEU 34 1HD2 LEU 34 -10.365 4.750 -6.899 291 HD22 LEU 34 2HD2 LEU 34 -9.974 3.937 -5.387 292 HD23 LEU 34 3HD2 LEU 34 -11.091 5.303 -5.389 293 H GLN 35 H GLN 35 -12.815 0.297 -2.696 294 HA GLN 35 HA GLN 35 -13.872 1.761 -0.422 295 HB2 GLN 35 2HB GLN 35 -15.150 -0.063 -1.583 296 HB3 GLN 35 1HB GLN 35 -13.970 -1.236 -1.012 297 HG2 GLN 35 2HG GLN 35 -16.032 -1.267 0.338 298 HG3 GLN 35 1HG GLN 35 -14.631 -0.820 1.311 299 HE21 GLN 35 1HE2 GLN 35 -17.568 0.377 -0.198 300 HE22 GLN 35 2HE2 GLN 35 -17.693 1.819 0.746 301 H GLN 36 H GLN 36 -11.415 -0.698 -0.988 302 HA GLN 36 HA GLN 36 -10.441 -0.692 1.762 303 HB2 GLN 36 2HB GLN 36 -9.689 -2.277 -0.712 304 HB3 GLN 36 1HB GLN 36 -8.738 -2.361 0.768 305 HG2 GLN 36 2HG GLN 36 -10.553 -3.324 1.995 306 HG3 GLN 36 1HG GLN 36 -11.701 -2.990 0.701 307 HE21 GLN 36 1HE2 GLN 36 -10.064 -3.885 -1.476 308 HE22 GLN 36 2HE2 GLN 36 -9.963 -5.611 -1.357 309 H GLU 37 H GLU 37 -9.838 1.132 -1.074 310 HA GLU 37 HA GLU 37 -7.232 1.967 -1.057 311 HB2 GLU 37 2HB GLU 37 -8.845 2.939 -2.600 312 HB3 GLU 37 1HB GLU 37 -9.803 3.590 -1.278 313 HG2 GLU 37 2HG GLU 37 -7.945 5.177 -0.753 314 HG3 GLU 37 1HG GLU 37 -7.060 4.551 -2.133 315 H VAL 38 H VAL 38 -9.792 3.397 0.925 316 HA VAL 38 HA VAL 38 -8.099 5.096 2.411 317 HB VAL 38 HB VAL 38 -10.089 5.504 3.851 318 HG11 VAL 38 1HG1 VAL 38 -9.819 6.777 1.773 319 HG12 VAL 38 2HG1 VAL 38 -11.527 6.479 2.086 320 HG13 VAL 38 3HG1 VAL 38 -10.679 5.531 0.860 321 HG21 VAL 38 1HG2 VAL 38 -11.055 3.244 3.903 322 HG22 VAL 38 2HG2 VAL 38 -11.445 3.340 2.185 323 HG23 VAL 38 3HG2 VAL 38 -12.255 4.410 3.332 324 H SER 39 H SER 39 -9.160 1.797 2.941 325 HA SER 39 HA SER 39 -8.456 1.540 5.683 326 HB2 SER 39 2HB SER 39 -8.569 -0.644 3.551 327 HB3 SER 39 1HB SER 39 -8.711 -0.866 5.296 328 HG SER 39 HG SER 39 -10.556 0.871 4.699 329 H TYR 40 H TYR 40 -6.753 0.872 2.643 330 HA TYR 40 HA TYR 40 -4.379 -0.253 3.700 331 HB2 TYR 40 2HB TYR 40 -5.082 -0.624 1.377 332 HB3 TYR 40 1HB TYR 40 -4.928 1.091 1.016 333 HD1 TYR 40 HD1 TYR 40 -3.009 1.690 -0.196 334 HD2 TYR 40 HD2 TYR 40 -2.756 -1.700 2.385 335 HE1 TYR 40 HE1 TYR 40 -0.721 1.270 -0.975 336 HE2 TYR 40 HE2 TYR 40 -0.466 -2.111 1.605 337 HH TYR 40 HH TYR 40 1.309 0.142 -0.251 338 H LEU 41 H LEU 41 -5.220 3.023 2.610 339 HA LEU 41 HA LEU 41 -2.650 4.168 3.057 340 HB2 LEU 41 2HB LEU 41 -5.342 5.566 2.819 341 HB3 LEU 41 1HB LEU 41 -3.768 6.332 2.673 342 HG LEU 41 HG LEU 41 -4.941 4.290 0.741 343 HD11 LEU 41 1HD1 LEU 41 -6.005 6.495 0.563 344 HD12 LEU 41 2HD1 LEU 41 -5.044 6.133 -0.868 345 HD13 LEU 41 3HD1 LEU 41 -4.425 7.254 0.348 346 HD21 LEU 41 1HD2 LEU 41 -2.262 5.712 0.597 347 HD22 LEU 41 2HD2 LEU 41 -2.964 4.709 -0.675 348 HD23 LEU 41 3HD2 LEU 41 -2.519 3.986 0.868 349 H GLN 42 H GLN 42 -5.597 3.902 5.033 350 HA GLN 42 HA GLN 42 -4.816 5.482 7.247 351 HB2 GLN 42 2HB GLN 42 -7.130 4.672 6.949 352 HB3 GLN 42 1HB GLN 42 -6.607 3.005 7.166 353 HG2 GLN 42 2HG GLN 42 -5.950 3.536 9.504 354 HG3 GLN 42 1HG GLN 42 -6.515 5.189 9.277 355 HE21 GLN 42 1HE2 GLN 42 -8.920 4.441 7.772 356 HE22 GLN 42 2HE2 GLN 42 -9.993 3.725 8.918 357 H SER 43 H SER 43 -4.355 2.022 6.547 358 HA SER 43 HA SER 43 -3.024 1.317 8.939 359 HB2 SER 43 2HB SER 43 -2.892 -0.005 6.202 360 HB3 SER 43 1HB SER 43 -2.401 -0.746 7.728 361 HG SER 43 HG SER 43 -5.000 0.306 7.489 362 H ILE 44 H ILE 44 -1.842 2.468 5.813 363 HA ILE 44 HA ILE 44 0.936 2.337 6.127 364 HB ILE 44 HB ILE 44 -0.936 4.150 4.561 365 HG12 ILE 44 2HG1 ILE 44 1.149 2.110 3.672 366 HG13 ILE 44 1HG1 ILE 44 -0.581 1.814 3.792 367 HG21 ILE 44 1HG2 ILE 44 2.079 4.489 4.543 368 HG22 ILE 44 2HG2 ILE 44 0.886 5.677 5.073 369 HG23 ILE 44 3HG2 ILE 44 0.970 5.209 3.375 370 HD11 ILE 44 1HD1 ILE 44 -0.992 3.414 2.009 371 HD12 ILE 44 2HD1 ILE 44 0.136 2.153 1.503 372 HD13 ILE 44 3HD1 ILE 44 0.738 3.761 1.905 373 H GLU 45 H GLU 45 -1.331 4.959 6.924 374 HA GLU 45 HA GLU 45 0.460 6.841 7.964 375 HB2 GLU 45 2HB GLU 45 -2.498 6.370 8.529 376 HB3 GLU 45 1HB GLU 45 -1.616 7.759 9.164 377 HG2 GLU 45 2HG GLU 45 -1.168 8.569 6.911 378 HG3 GLU 45 1HG GLU 45 -1.890 7.121 6.212 379 H THR 46 H THR 46 -1.530 4.420 9.717 380 HA THR 46 HA THR 46 -0.643 5.257 12.279 381 HB THR 46 HB THR 46 -2.851 4.143 11.912 382 HG1 THR 46 HG1 THR 46 -1.845 4.212 14.006 383 HG21 THR 46 1HG2 THR 46 -1.246 1.572 11.697 384 HG22 THR 46 2HG2 THR 46 -2.176 2.318 10.397 385 HG23 THR 46 3HG2 THR 46 -3.001 1.686 11.824 386 H VAL 47 H VAL 47 0.570 2.730 10.050 387 HA VAL 47 HA VAL 47 2.302 1.541 12.023 388 HB VAL 47 HB VAL 47 1.469 0.419 9.829 389 HG11 VAL 47 1HG1 VAL 47 2.205 2.116 8.222 390 HG12 VAL 47 2HG1 VAL 47 2.979 0.569 7.877 391 HG13 VAL 47 3HG1 VAL 47 3.888 1.854 8.674 392 HG21 VAL 47 1HG2 VAL 47 3.010 -0.656 11.405 393 HG22 VAL 47 2HG2 VAL 47 4.385 0.133 10.625 394 HG23 VAL 47 3HG2 VAL 47 3.432 -1.061 9.739 395 H MET 48 H MET 48 2.606 4.131 9.640 396 HA MET 48 HA MET 48 5.459 4.445 9.925 397 HB2 MET 48 2HB MET 48 4.208 5.049 7.846 398 HB3 MET 48 1HB MET 48 3.433 6.376 8.701 399 HG2 MET 48 2HG MET 48 5.537 7.517 8.950 400 HG3 MET 48 1HG MET 48 6.430 6.117 8.363 401 HE1 MET 48 1HE MET 48 6.476 5.329 5.816 402 HE2 MET 48 2HE MET 48 5.496 6.071 4.550 403 HE3 MET 48 3HE MET 48 4.716 5.154 5.839 404 H GLU 49 H GLU 49 2.638 5.633 11.602 405 HA GLU 49 HA GLU 49 3.993 7.625 13.181 406 HB2 GLU 49 2HB GLU 49 1.373 6.136 13.680 407 HB3 GLU 49 1HB GLU 49 1.955 7.484 14.653 408 HG2 GLU 49 2HG GLU 49 1.164 7.579 11.731 409 HG3 GLU 49 1HG GLU 49 0.259 8.242 13.089 410 H LYS 50 H LYS 50 3.414 4.170 13.398 411 HA LYS 50 HA LYS 50 4.271 3.893 16.126 412 HB2 LYS 50 2HB LYS 50 2.710 2.264 15.034 413 HB3 LYS 50 1HB LYS 50 4.010 1.746 13.975 414 HG2 LYS 50 2HG LYS 50 3.673 0.122 15.746 415 HG3 LYS 50 1HG LYS 50 5.257 0.869 15.930 416 HD2 LYS 50 2HD LYS 50 2.912 1.978 17.497 417 HD3 LYS 50 1HD LYS 50 3.667 0.483 18.037 418 HE2 LYS 50 2HE LYS 50 5.776 1.583 18.403 419 HE3 LYS 50 1HE LYS 50 5.230 3.044 17.586 420 HZ1 LYS 50 1HZ LYS 50 3.704 3.480 19.369 421 HZ2 LYS 50 2HZ LYS 50 5.238 3.226 20.031 422 HZ3 LYS 50 3HZ LYS 50 4.066 2.016 20.116 423 H GLN 51 H GLN 51 6.270 4.659 16.462 424 HA GLN 51 HA GLN 51 8.593 4.293 14.913 425 HB2 GLN 51 2HB GLN 51 8.244 4.750 17.905 426 HB3 GLN 51 1HB GLN 51 9.797 4.832 17.085 427 HG2 GLN 51 2HG GLN 51 7.431 6.631 16.457 428 HG3 GLN 51 1HG GLN 51 8.762 7.060 17.537 429 HE21 GLN 51 1HE2 GLN 51 10.841 7.386 16.636 430 HE22 GLN 51 2HE2 GLN 51 11.054 7.724 14.955 431 H THR 52 H THR 52 9.999 2.673 14.767 432 HA THR 52 HA THR 52 9.349 0.030 15.620 433 HB THR 52 HB THR 52 11.999 1.022 14.458 434 HG1 THR 52 HG1 THR 52 9.491 0.946 13.352 435 HG21 THR 52 1HG2 THR 52 12.019 -1.322 15.250 436 HG22 THR 52 2HG2 THR 52 12.109 -1.260 13.486 437 HG23 THR 52 3HG2 THR 52 10.583 -1.669 14.284 438 HA PRO 53 HA PRO 53 11.402 0.110 19.731 439 HB2 PRO 53 2HB PRO 53 11.991 -2.793 19.079 440 HB3 PRO 53 1HB PRO 53 11.250 -2.092 20.535 441 HG2 PRO 53 2HG PRO 53 9.738 -3.350 18.757 442 HG3 PRO 53 1HG PRO 53 9.157 -1.859 19.536 443 HD2 PRO 53 2HD PRO 53 10.251 -2.233 16.757 444 HD3 PRO 53 1HD PRO 53 8.909 -1.207 17.316 445 HA PRO 54 HA PRO 54 15.733 0.852 18.854 446 HB2 PRO 54 2HB PRO 54 16.358 -0.356 21.553 447 HB3 PRO 54 1HB PRO 54 16.766 1.250 20.909 448 HG2 PRO 54 2HG PRO 54 14.842 0.990 22.718 449 HG3 PRO 54 1HG PRO 54 14.657 2.130 21.363 450 HD2 PRO 54 2HD PRO 54 13.434 -0.605 21.710 451 HD3 PRO 54 1HD PRO 54 12.703 0.887 21.068 452 H GLY 55 H GLY 55 15.419 -2.181 20.719 453 HA2 GLY 55 2HA GLY 55 17.439 -3.574 19.140 454 HA3 GLY 55 1HA GLY 55 16.559 -4.191 20.535 455 H ILE 56 H ILE 56 15.885 -3.087 17.196 456 HA ILE 56 HA ILE 56 13.669 -4.864 16.843 457 HB ILE 56 HB ILE 56 13.721 -2.757 15.599 458 HG12 ILE 56 2HG1 ILE 56 13.222 -3.578 13.280 459 HG13 ILE 56 1HG1 ILE 56 13.909 -5.142 13.709 460 HG21 ILE 56 1HG2 ILE 56 15.261 -2.272 13.750 461 HG22 ILE 56 2HG2 ILE 56 16.166 -3.744 14.113 462 HG23 ILE 56 3HG2 ILE 56 16.119 -2.432 15.290 463 HD11 ILE 56 1HD1 ILE 56 11.474 -5.156 13.765 464 HD12 ILE 56 2HD1 ILE 56 11.476 -3.877 14.975 465 HD13 ILE 56 3HD1 ILE 56 12.136 -5.470 15.370 466 H THR 57 H THR 57 14.386 -6.852 17.412 467 HA THR 57 HA THR 57 16.784 -8.104 16.643 468 HB THR 57 HB THR 57 15.573 -8.793 18.645 469 HG1 THR 57 HG1 THR 57 16.906 -10.363 17.798 470 HG21 THR 57 1HG2 THR 57 13.457 -9.951 16.793 471 HG22 THR 57 2HG2 THR 57 13.240 -8.560 17.861 472 HG23 THR 57 3HG2 THR 57 13.531 -10.162 18.545 473 H ARG 58 H ARG 58 17.063 -10.042 15.375 474 HA ARG 58 HA ARG 58 16.569 -9.593 12.691 475 HB2 ARG 58 2HB ARG 58 18.407 -11.015 13.745 476 HB3 ARG 58 1HB ARG 58 17.240 -12.311 13.902 477 HG2 ARG 58 2HG ARG 58 17.529 -11.237 11.132 478 HG3 ARG 58 1HG ARG 58 18.977 -11.996 11.783 479 HD2 ARG 58 2HD ARG 58 17.845 -13.709 10.612 480 HD3 ARG 58 1HD ARG 58 17.526 -14.027 12.316 481 HE ARG 58 HE ARG 58 15.506 -12.524 10.821 482 HH11 ARG 58 1HH1 ARG 58 16.451 -15.634 12.170 483 HH12 ARG 58 2HH1 ARG 58 14.851 -16.303 12.085 484 HH21 ARG 58 1HH2 ARG 58 13.409 -13.424 10.679 485 HH22 ARG 58 2HH2 ARG 58 13.122 -15.039 11.233 486 H SER 59 H SER 59 14.797 -11.728 14.929 487 HA SER 59 HA SER 59 13.217 -13.114 13.073 488 HB2 SER 59 2HB SER 59 11.731 -13.567 15.055 489 HB3 SER 59 1HB SER 59 13.439 -13.891 15.354 490 HG SER 59 HG SER 59 11.778 -11.945 16.422 491 H ILE 60 H ILE 60 12.296 -10.252 15.037 492 HA ILE 60 HA ILE 60 9.756 -9.795 13.903 493 HB ILE 60 HB ILE 60 11.611 -7.698 15.153 494 HG12 ILE 60 2HG1 ILE 60 9.424 -9.336 16.529 495 HG13 ILE 60 1HG1 ILE 60 11.154 -9.619 16.708 496 HG21 ILE 60 1HG2 ILE 60 8.596 -7.650 14.748 497 HG22 ILE 60 2HG2 ILE 60 9.774 -6.672 13.876 498 HG23 ILE 60 3HG2 ILE 60 9.527 -6.420 15.603 499 HD11 ILE 60 1HD1 ILE 60 9.711 -7.091 17.507 500 HD12 ILE 60 2HD1 ILE 60 11.429 -7.432 17.733 501 HD13 ILE 60 3HD1 ILE 60 10.220 -8.384 18.596 502 H GLN 61 H GLN 61 12.889 -8.222 13.334 503 HA GLN 61 HA GLN 61 12.275 -6.368 11.407 504 HB2 GLN 61 2HB GLN 61 14.442 -6.450 12.560 505 HB3 GLN 61 1HB GLN 61 14.851 -7.957 11.751 506 HG2 GLN 61 2HG GLN 61 14.773 -6.707 9.558 507 HG3 GLN 61 1HG GLN 61 14.566 -5.219 10.478 508 HE21 GLN 61 1HE2 GLN 61 16.669 -7.907 11.466 509 HE22 GLN 61 2HE2 GLN 61 18.148 -7.049 11.244 510 H ASP 62 H ASP 62 13.047 -9.807 10.961 511 HA ASP 62 HA ASP 62 13.270 -9.659 8.079 512 HB2 ASP 62 2HB ASP 62 14.619 -11.273 9.336 513 HB3 ASP 62 1HB ASP 62 13.175 -12.050 9.969 514 H MET 63 H MET 63 10.780 -10.811 10.399 515 HA MET 63 HA MET 63 8.940 -11.756 8.429 516 HB2 MET 63 2HB MET 63 8.352 -10.721 11.235 517 HB3 MET 63 1HB MET 63 7.190 -11.547 10.207 518 HG2 MET 63 2HG MET 63 8.676 -13.554 10.224 519 HG3 MET 63 1HG MET 63 9.712 -12.719 11.382 520 HE1 MET 63 1HE MET 63 7.237 -12.264 14.427 521 HE2 MET 63 2HE MET 63 7.377 -11.122 13.093 522 HE3 MET 63 3HE MET 63 8.828 -11.861 13.779 523 H VAL 64 H VAL 64 9.278 -8.669 10.110 524 HA VAL 64 HA VAL 64 7.232 -7.201 8.881 525 HB VAL 64 HB VAL 64 9.809 -6.385 10.287 526 HG11 VAL 64 1HG1 VAL 64 9.003 -4.038 10.308 527 HG12 VAL 64 2HG1 VAL 64 7.706 -4.487 9.200 528 HG13 VAL 64 3HG1 VAL 64 9.385 -4.599 8.676 529 HG21 VAL 64 1HG2 VAL 64 8.263 -5.639 12.076 530 HG22 VAL 64 2HG2 VAL 64 8.033 -7.347 11.701 531 HG23 VAL 64 3HG2 VAL 64 6.883 -6.152 11.099 532 H ALA 65 H ALA 65 10.654 -7.668 8.006 533 HA ALA 65 HA ALA 65 10.712 -5.953 5.749 534 HB1 ALA 65 1HB ALA 65 12.748 -7.183 5.094 535 HB2 ALA 65 2HB ALA 65 12.402 -8.424 6.307 536 HB3 ALA 65 3HB ALA 65 12.776 -6.772 6.808 537 H GLY 66 H GLY 66 9.740 -9.309 6.257 538 HA2 GLY 66 2HA GLY 66 9.315 -10.132 3.586 539 HA3 GLY 66 1HA GLY 66 8.487 -10.761 5.007 540 H TYR 67 H TYR 67 7.158 -8.574 5.958 541 HA TYR 67 HA TYR 67 4.879 -8.376 4.262 542 HB2 TYR 67 2HB TYR 67 5.518 -6.646 6.680 543 HB3 TYR 67 1HB TYR 67 3.930 -6.913 5.965 544 HD1 TYR 67 HD1 TYR 67 5.266 -7.479 8.888 545 HD2 TYR 67 HD2 TYR 67 3.969 -9.914 5.615 546 HE1 TYR 67 HE1 TYR 67 4.893 -9.358 10.422 547 HE2 TYR 67 HE2 TYR 67 3.595 -11.782 7.166 548 HH TYR 67 HH TYR 67 4.388 -12.536 9.344 549 H ILE 68 H ILE 68 7.637 -6.331 4.849 550 HA ILE 68 HA ILE 68 6.688 -3.913 3.680 551 HB ILE 68 HB ILE 68 9.395 -4.932 4.592 552 HG12 ILE 68 2HG1 ILE 68 7.702 -2.513 5.368 553 HG13 ILE 68 1HG1 ILE 68 7.833 -4.013 6.276 554 HG21 ILE 68 1HG2 ILE 68 9.063 -2.356 3.024 555 HG22 ILE 68 2HG2 ILE 68 10.002 -3.767 2.537 556 HG23 ILE 68 3HG2 ILE 68 10.506 -2.813 3.931 557 HD11 ILE 68 1HD1 ILE 68 10.027 -1.999 5.827 558 HD12 ILE 68 2HD1 ILE 68 10.199 -3.524 6.700 559 HD13 ILE 68 3HD1 ILE 68 9.119 -2.274 7.316 560 H LYS 69 H LYS 69 8.764 -6.566 2.502 561 HA LYS 69 HA LYS 69 9.093 -5.446 -0.107 562 HB2 LYS 69 2HB LYS 69 9.572 -8.283 0.881 563 HB3 LYS 69 1HB LYS 69 10.072 -7.663 -0.687 564 HG2 LYS 69 2HG LYS 69 11.090 -6.756 2.022 565 HG3 LYS 69 1HG LYS 69 11.974 -7.702 0.830 566 HD2 LYS 69 2HD LYS 69 11.066 -4.813 0.491 567 HD3 LYS 69 1HD LYS 69 12.709 -5.339 0.858 568 HE2 LYS 69 2HE LYS 69 11.170 -5.981 -1.679 569 HE3 LYS 69 1HE LYS 69 12.458 -4.790 -1.533 570 HZ1 LYS 69 1HZ LYS 69 13.961 -6.631 -0.910 571 HZ2 LYS 69 2HZ LYS 69 13.328 -6.784 -2.465 572 HZ3 LYS 69 3HZ LYS 69 12.715 -7.730 -1.215 573 H GLN 70 H GLN 70 6.819 -7.723 1.356 574 HA GLN 70 HA GLN 70 5.333 -8.519 -0.881 575 HB2 GLN 70 2HB GLN 70 4.635 -8.069 2.032 576 HB3 GLN 70 1HB GLN 70 3.331 -8.358 0.896 577 HG2 GLN 70 2HG GLN 70 5.648 -10.264 1.258 578 HG3 GLN 70 1HG GLN 70 4.147 -10.363 2.182 579 HE21 GLN 70 1HE2 GLN 70 2.219 -10.923 1.089 580 HE22 GLN 70 2HE2 GLN 70 2.241 -11.710 -0.450 581 H THR 71 H THR 71 4.832 -5.686 1.274 582 HA THR 71 HA THR 71 2.561 -4.830 -0.192 583 HB THR 71 HB THR 71 2.844 -4.425 2.265 584 HG1 THR 71 HG1 THR 71 2.241 -2.235 0.533 585 HG21 THR 71 1HG2 THR 71 4.027 -2.408 3.040 586 HG22 THR 71 2HG2 THR 71 4.665 -2.139 1.418 587 HG23 THR 71 3HG2 THR 71 5.163 -3.564 2.334 588 H LEU 72 H LEU 72 5.964 -3.856 -0.225 589 HA LEU 72 HA LEU 72 5.604 -1.548 -1.874 590 HB2 LEU 72 2HB LEU 72 8.054 -3.186 -1.140 591 HB3 LEU 72 1HB LEU 72 8.157 -1.855 -2.281 592 HG LEU 72 HG LEU 72 7.259 -1.589 0.620 593 HD11 LEU 72 1HD1 LEU 72 9.880 -0.775 -0.692 594 HD12 LEU 72 2HD1 LEU 72 9.653 -2.097 0.455 595 HD13 LEU 72 3HD1 LEU 72 9.406 -0.433 0.974 596 HD21 LEU 72 1HD2 LEU 72 7.721 0.558 -1.492 597 HD22 LEU 72 2HD2 LEU 72 7.362 0.849 0.212 598 HD23 LEU 72 3HD2 LEU 72 6.161 0.076 -0.816 599 H ASP 73 H ASP 73 6.304 -4.988 -2.569 600 HA ASP 73 HA ASP 73 6.833 -4.598 -5.376 601 HB2 ASP 73 2HB ASP 73 7.622 -6.621 -4.043 602 HB3 ASP 73 1HB ASP 73 5.956 -7.189 -3.994 603 H ASN 74 H ASN 74 4.023 -5.646 -3.465 604 HA ASN 74 HA ASN 74 2.251 -6.092 -5.633 605 HB2 ASN 74 2HB ASN 74 1.594 -5.511 -2.713 606 HB3 ASN 74 1HB ASN 74 0.439 -6.093 -3.908 607 HD21 ASN 74 1HD2 ASN 74 2.561 -7.966 -5.085 608 HD22 ASN 74 2HD2 ASN 74 2.658 -9.250 -3.943 609 H GLU 75 H GLU 75 2.938 -3.284 -3.595 610 HA GLU 75 HA GLU 75 0.944 -1.552 -4.669 611 HB2 GLU 75 2HB GLU 75 2.019 -1.085 -2.485 612 HB3 GLU 75 1HB GLU 75 3.575 -0.863 -3.274 613 HG2 GLU 75 2HG GLU 75 2.640 1.087 -4.506 614 HG3 GLU 75 1HG GLU 75 1.120 0.878 -3.650 615 H GLN 76 H GLN 76 4.327 -2.267 -5.520 616 HA GLN 76 HA GLN 76 4.707 -0.160 -7.376 617 HB2 GLN 76 2HB GLN 76 6.566 -1.463 -6.389 618 HB3 GLN 76 1HB GLN 76 6.065 -2.883 -7.298 619 HG2 GLN 76 2HG GLN 76 6.617 -1.788 -9.389 620 HG3 GLN 76 1HG GLN 76 6.968 -0.280 -8.555 621 HE21 GLN 76 1HE2 GLN 76 8.007 -3.489 -7.419 622 HE22 GLN 76 2HE2 GLN 76 9.693 -3.203 -7.649 623 H LEU 77 H LEU 77 3.609 -3.492 -7.756 624 HA LEU 77 HA LEU 77 3.066 -3.435 -10.550 625 HB2 LEU 77 2HB LEU 77 2.056 -5.188 -8.287 626 HB3 LEU 77 1HB LEU 77 1.608 -5.463 -9.963 627 HG LEU 77 HG LEU 77 4.485 -5.513 -8.970 628 HD11 LEU 77 1HD1 LEU 77 4.363 -7.954 -9.070 629 HD12 LEU 77 2HD1 LEU 77 2.647 -7.872 -9.476 630 HD13 LEU 77 3HD1 LEU 77 3.209 -7.315 -7.899 631 HD21 LEU 77 1HD2 LEU 77 4.289 -5.015 -11.358 632 HD22 LEU 77 2HD2 LEU 77 3.255 -6.428 -11.592 633 HD23 LEU 77 3HD2 LEU 77 4.945 -6.637 -11.120 634 H LEU 78 H LEU 78 1.105 -2.700 -7.652 635 HA LEU 78 HA LEU 78 -1.396 -2.239 -8.844 636 HB2 LEU 78 2HB LEU 78 -0.077 -1.314 -6.296 637 HB3 LEU 78 1HB LEU 78 -1.481 -0.397 -6.808 638 HG LEU 78 HG LEU 78 -1.498 -3.403 -6.313 639 HD11 LEU 78 1HD1 LEU 78 -1.114 -2.115 -4.228 640 HD12 LEU 78 2HD1 LEU 78 -2.686 -2.911 -4.244 641 HD13 LEU 78 3HD1 LEU 78 -2.576 -1.173 -4.551 642 HD21 LEU 78 1HD2 LEU 78 -3.945 -3.153 -6.451 643 HD22 LEU 78 2HD2 LEU 78 -3.177 -2.662 -7.957 644 HD23 LEU 78 3HD2 LEU 78 -3.764 -1.439 -6.825 645 H LYS 79 H LYS 79 1.035 0.225 -7.981 646 HA LYS 79 HA LYS 79 -0.354 2.376 -9.125 647 HB2 LYS 79 2HB LYS 79 1.564 3.736 -8.511 648 HB3 LYS 79 1HB LYS 79 1.214 2.597 -7.221 649 HG2 LYS 79 2HG LYS 79 3.092 1.162 -8.526 650 HG3 LYS 79 1HG LYS 79 3.611 2.778 -8.999 651 HD2 LYS 79 2HD LYS 79 3.317 1.696 -6.169 652 HD3 LYS 79 1HD LYS 79 4.819 2.078 -7.001 653 HE2 LYS 79 2HE LYS 79 4.246 4.465 -6.966 654 HE3 LYS 79 1HE LYS 79 2.701 4.098 -6.196 655 HZ1 LYS 79 1HZ LYS 79 5.331 3.427 -4.994 656 HZ2 LYS 79 2HZ LYS 79 3.826 3.326 -4.252 657 HZ3 LYS 79 3HZ LYS 79 4.475 4.833 -4.633 658 H GLY 80 H GLY 80 2.168 0.226 -10.340 659 HA2 GLY 80 2HA GLY 80 2.740 1.456 -12.799 660 HA3 GLY 80 1HA GLY 80 2.797 -0.272 -12.482 661 H LEU 81 H LEU 81 0.429 -1.230 -12.198 662 HA LEU 81 HA LEU 81 -0.749 -1.297 -14.738 663 HB2 LEU 81 2HB LEU 81 -0.863 -3.117 -13.111 664 HB3 LEU 81 1HB LEU 81 -1.814 -2.145 -12.013 665 HG LEU 81 HG LEU 81 -2.955 -2.852 -14.744 666 HD11 LEU 81 1HD1 LEU 81 -3.053 -4.690 -12.320 667 HD12 LEU 81 2HD1 LEU 81 -2.197 -5.000 -13.834 668 HD13 LEU 81 3HD1 LEU 81 -3.954 -4.902 -13.828 669 HD21 LEU 81 1HD2 LEU 81 -4.227 -1.239 -13.417 670 HD22 LEU 81 2HD2 LEU 81 -4.259 -2.342 -12.042 671 HD23 LEU 81 3HD2 LEU 81 -5.122 -2.757 -13.526 672 H LEU 82 H LEU 82 -1.586 0.521 -11.871 673 HA LEU 82 HA LEU 82 -4.165 1.369 -12.707 674 HB2 LEU 82 2HB LEU 82 -2.378 2.061 -10.364 675 HB3 LEU 82 1HB LEU 82 -3.868 2.951 -10.642 676 HG LEU 82 HG LEU 82 -3.839 -0.084 -10.364 677 HD11 LEU 82 1HD1 LEU 82 -2.933 0.881 -8.286 678 HD12 LEU 82 2HD1 LEU 82 -4.533 0.186 -8.032 679 HD13 LEU 82 3HD1 LEU 82 -4.340 1.938 -8.156 680 HD21 LEU 82 1HD2 LEU 82 -5.805 0.901 -11.476 681 HD22 LEU 82 2HD2 LEU 82 -6.062 1.965 -10.089 682 HD23 LEU 82 3HD2 LEU 82 -6.222 0.218 -9.903 683 H GLN 83 H GLN 83 -0.937 2.986 -12.569 684 HA GLN 83 HA GLN 83 -1.989 5.472 -13.495 685 HB2 GLN 83 2HB GLN 83 0.217 6.287 -13.780 686 HB3 GLN 83 1HB GLN 83 0.269 5.270 -12.349 687 HG2 GLN 83 2HG GLN 83 1.640 3.690 -13.343 688 HG3 GLN 83 1HG GLN 83 1.061 4.024 -14.970 689 HE21 GLN 83 1HE2 GLN 83 1.865 5.846 -16.081 690 HE22 GLN 83 2HE2 GLN 83 3.391 6.555 -15.660 691 H GLN 84 H GLN 84 -0.615 2.618 -15.099 692 HA GLN 84 HA GLN 84 -0.387 3.580 -17.729 693 HB2 GLN 84 2HB GLN 84 -0.983 0.765 -16.727 694 HB3 GLN 84 1HB GLN 84 -0.646 1.130 -18.415 695 HG2 GLN 84 2HG GLN 84 1.308 1.724 -16.176 696 HG3 GLN 84 1HG GLN 84 1.276 0.198 -17.056 697 HE21 GLN 84 1HE2 GLN 84 3.401 0.536 -17.752 698 HE22 GLN 84 2HE2 GLN 84 3.799 1.668 -18.996 699 H ARG 85 H ARG 85 -3.084 2.019 -16.052 700 HA ARG 85 HA ARG 85 -4.860 2.058 -18.289 701 HB2 ARG 85 2HB ARG 85 -5.093 0.434 -16.388 702 HB3 ARG 85 1HB ARG 85 -5.588 1.769 -15.344 703 HG2 ARG 85 2HG ARG 85 -7.508 2.211 -16.903 704 HG3 ARG 85 1HG ARG 85 -7.032 0.788 -17.829 705 HD2 ARG 85 2HD ARG 85 -7.420 -0.619 -15.846 706 HD3 ARG 85 1HD ARG 85 -7.912 0.809 -14.930 707 HE ARG 85 HE ARG 85 -9.348 -0.342 -17.244 708 HH11 ARG 85 1HH1 ARG 85 -9.443 1.595 -14.315 709 HH12 ARG 85 2HH1 ARG 85 -11.167 1.767 -14.349 710 HH21 ARG 85 1HH2 ARG 85 -11.603 -0.118 -17.270 711 HH22 ARG 85 2HH2 ARG 85 -12.392 0.797 -16.019 712 H LEU 86 H LEU 86 -4.266 4.210 -15.523 713 HA LEU 86 HA LEU 86 -6.443 5.983 -16.057 714 HB2 LEU 86 2HB LEU 86 -3.879 6.362 -14.461 715 HB3 LEU 86 1HB LEU 86 -5.081 7.635 -14.629 716 HG LEU 86 HG LEU 86 -5.558 4.926 -13.316 717 HD11 LEU 86 1HD1 LEU 86 -5.672 6.155 -11.211 718 HD12 LEU 86 2HD1 LEU 86 -5.319 7.670 -12.043 719 HD13 LEU 86 3HD1 LEU 86 -4.106 6.390 -11.983 720 HD21 LEU 86 1HD2 LEU 86 -7.451 7.291 -13.563 721 HD22 LEU 86 2HD2 LEU 86 -7.744 5.822 -12.626 722 HD23 LEU 86 3HD2 LEU 86 -7.611 5.733 -14.379 723 H ASP 87 H ASP 87 -3.216 5.636 -17.362 724 HA ASP 87 HA ASP 87 -3.024 8.125 -18.747 725 HB2 ASP 87 2HB ASP 87 -1.703 5.412 -19.261 726 HB3 ASP 87 1HB ASP 87 -1.383 6.822 -20.263 727 H GLU 88 H GLU 88 -4.158 4.860 -19.603 728 HA GLU 88 HA GLU 88 -5.030 5.314 -22.230 729 HB2 GLU 88 2HB GLU 88 -6.131 3.410 -20.117 730 HB3 GLU 88 1HB GLU 88 -6.568 3.348 -21.821 731 HG2 GLU 88 2HG GLU 88 -3.802 2.939 -20.678 732 HG3 GLU 88 1HG GLU 88 -4.873 1.665 -21.250 733 H LEU 89 H LEU 89 -6.986 5.269 -19.260 734 HA LEU 89 HA LEU 89 -9.426 6.062 -20.277 735 HB2 LEU 89 2HB LEU 89 -8.363 6.492 -17.450 736 HB3 LEU 89 1HB LEU 89 -10.053 6.595 -17.919 737 HG LEU 89 HG LEU 89 -8.359 4.064 -18.037 738 HD11 LEU 89 1HD1 LEU 89 -9.695 3.276 -16.141 739 HD12 LEU 89 2HD1 LEU 89 -10.535 4.826 -16.069 740 HD13 LEU 89 3HD1 LEU 89 -8.803 4.744 -15.731 741 HD21 LEU 89 1HD2 LEU 89 -11.327 4.409 -18.569 742 HD22 LEU 89 2HD2 LEU 89 -10.459 2.873 -18.502 743 HD23 LEU 89 3HD2 LEU 89 -10.088 4.037 -19.771 744 H SER 90 H SER 90 -6.781 8.087 -18.992 745 HA SER 90 HA SER 90 -8.240 10.553 -19.126 746 HB2 SER 90 2HB SER 90 -6.062 11.620 -18.670 747 HB3 SER 90 1HB SER 90 -6.312 10.245 -17.602 748 HG SER 90 HG SER 90 -4.509 9.510 -18.338 749 H SER 91 H SER 91 -6.129 8.780 -21.369 750 HA SER 91 HA SER 91 -6.145 10.791 -23.431 751 HB2 SER 91 2HB SER 91 -4.395 9.079 -23.342 752 HB3 SER 91 1HB SER 91 -5.582 7.800 -23.583 753 HG SER 91 HG SER 91 -4.472 9.590 -25.399 754 H LEU 92 H LEU 92 -8.379 8.252 -22.465 755 HA LEU 92 HA LEU 92 -9.852 8.167 -24.950 756 HB2 LEU 92 2HB LEU 92 -10.692 7.118 -22.208 757 HB3 LEU 92 1HB LEU 92 -11.480 6.758 -23.736 758 HG LEU 92 HG LEU 92 -8.733 5.842 -22.852 759 HD11 LEU 92 1HD1 LEU 92 -11.238 4.256 -23.414 760 HD12 LEU 92 2HD1 LEU 92 -10.521 4.572 -21.832 761 HD13 LEU 92 3HD1 LEU 92 -9.659 3.579 -23.006 762 HD21 LEU 92 1HD2 LEU 92 -8.589 6.367 -25.214 763 HD22 LEU 92 2HD2 LEU 92 -10.025 5.396 -25.546 764 HD23 LEU 92 3HD2 LEU 92 -8.547 4.620 -24.972 765 H ILE 93 H ILE 93 -10.288 9.702 -21.795 766 HA ILE 93 HA ILE 93 -12.863 10.884 -22.432 767 HB ILE 93 HB ILE 93 -11.038 11.314 -20.005 768 HG12 ILE 93 2HG1 ILE 93 -13.516 9.534 -20.226 769 HG13 ILE 93 1HG1 ILE 93 -11.863 8.939 -20.299 770 HG21 ILE 93 1HG2 ILE 93 -13.964 12.060 -20.392 771 HG22 ILE 93 2HG2 ILE 93 -12.611 13.187 -20.282 772 HG23 ILE 93 3HG2 ILE 93 -13.066 12.215 -18.882 773 HD11 ILE 93 1HD1 ILE 93 -13.145 10.306 -17.936 774 HD12 ILE 93 2HD1 ILE 93 -11.481 9.718 -18.012 775 HD13 ILE 93 3HD1 ILE 93 -12.822 8.580 -18.113 776 H GLY 94 H GLY 94 -9.478 11.901 -22.038 777 HA2 GLY 94 2HA GLY 94 -10.067 14.514 -23.328 778 HA3 GLY 94 1HA GLY 94 -9.081 14.414 -21.872 779 H GLN 95 H GLN 95 -7.115 15.090 -22.695 780 HA GLN 95 HA GLN 95 -5.728 13.264 -24.558 781 HB2 GLN 95 2HB GLN 95 -5.637 16.321 -24.684 782 HB3 GLN 95 1HB GLN 95 -4.561 15.257 -25.584 783 HG2 GLN 95 2HG GLN 95 -6.466 14.382 -26.860 784 HG3 GLN 95 1HG GLN 95 -7.572 15.383 -25.919 785 HE21 GLN 95 1HE2 GLN 95 -7.613 17.635 -26.298 786 HE22 GLN 95 2HE2 GLN 95 -6.924 18.340 -27.715 787 H VAL 96 H VAL 96 -3.902 12.554 -23.587 788 HA VAL 96 HA VAL 96 -2.908 13.601 -21.113 789 HB VAL 96 HB VAL 96 -1.672 11.547 -23.020 790 HG11 VAL 96 1HG1 VAL 96 -0.256 10.839 -21.123 791 HG12 VAL 96 2HG1 VAL 96 -0.911 12.142 -20.131 792 HG13 VAL 96 3HG1 VAL 96 0.064 12.522 -21.552 793 HG21 VAL 96 1HG2 VAL 96 -2.579 9.865 -21.451 794 HG22 VAL 96 2HG2 VAL 96 -3.864 10.855 -22.142 795 HG23 VAL 96 3HG2 VAL 96 -3.315 11.148 -20.490 796 H LEU 97 H LEU 97 -1.694 15.393 -20.941 797 HA LEU 97 HA LEU 97 -0.458 16.679 -23.186 798 HB2 LEU 97 2HB LEU 97 -0.491 17.319 -20.217 799 HB3 LEU 97 1HB LEU 97 0.429 18.278 -21.362 800 HG LEU 97 HG LEU 97 -1.744 18.803 -22.572 801 HD11 LEU 97 1HD1 LEU 97 -3.113 16.933 -21.783 802 HD12 LEU 97 2HD1 LEU 97 -3.871 18.480 -21.415 803 HD13 LEU 97 3HD1 LEU 97 -3.056 17.570 -20.138 804 HD21 LEU 97 1HD2 LEU 97 -0.700 20.392 -21.027 805 HD22 LEU 97 2HD2 LEU 97 -1.572 19.671 -19.673 806 HD23 LEU 97 3HD2 LEU 97 -2.459 20.502 -20.953 807 H PHE 98 H PHE 98 0.737 14.850 -20.416 808 HA PHE 98 HA PHE 98 3.282 14.284 -21.639 809 HB2 PHE 98 2HB PHE 98 4.648 15.225 -19.728 810 HB3 PHE 98 1HB PHE 98 3.918 16.440 -20.761 811 HD1 PHE 98 HD1 PHE 98 3.980 15.033 -17.348 812 HD2 PHE 98 HD2 PHE 98 2.054 17.863 -19.913 813 HE1 PHE 98 HE1 PHE 98 2.988 16.144 -15.388 814 HE2 PHE 98 HE2 PHE 98 1.064 18.968 -17.944 815 HZ PHE 98 HZ PHE 98 1.531 18.106 -15.684 816 H GLN 99 H GLN 99 1.316 14.206 -18.697 817 HA GLN 99 HA GLN 99 1.779 11.314 -18.372 818 HB2 GLN 99 2HB GLN 99 3.411 12.430 -16.850 819 HB3 GLN 99 1HB GLN 99 2.127 13.422 -16.177 820 HG2 GLN 99 2HG GLN 99 2.714 11.663 -14.618 821 HG3 GLN 99 1HG GLN 99 1.072 11.411 -15.205 822 HE21 GLN 99 1HE2 GLN 99 4.363 10.254 -15.309 823 HE22 GLN 99 2HE2 GLN 99 4.010 8.691 -15.952 824 H GLY 100 H GLY 100 -0.216 10.356 -17.987 825 HA2 GLY 100 2HA GLY 100 -2.628 11.713 -18.318 826 HA3 GLY 100 1HA GLY 100 -2.469 10.094 -17.662 827 HA PRO 101 HA PRO 101 -3.574 11.275 -13.445 828 HB2 PRO 101 2HB PRO 101 -0.717 10.731 -12.567 829 HB3 PRO 101 1HB PRO 101 -2.247 10.164 -11.854 830 HG2 PRO 101 2HG PRO 101 -0.812 8.506 -13.322 831 HG3 PRO 101 1HG PRO 101 -2.582 8.539 -13.512 832 HD2 PRO 101 2HD PRO 101 -0.467 9.715 -15.310 833 HD3 PRO 101 1HD PRO 101 -1.996 8.911 -15.735 834 H SER 102 H SER 102 -0.413 12.616 -14.444 835 HA SER 102 HA SER 102 -0.533 14.756 -12.448 836 HB2 SER 102 2HB SER 102 1.659 14.154 -14.469 837 HB3 SER 102 1HB SER 102 1.780 15.231 -13.075 838 HG SER 102 HG SER 102 1.645 13.497 -11.723 839 H ALA 103 H ALA 103 -1.619 14.444 -15.639 840 HA ALA 103 HA ALA 103 -1.048 17.092 -16.631 841 HB1 ALA 103 1HB ALA 103 -2.700 16.561 -18.399 842 HB2 ALA 103 2HB ALA 103 -3.180 15.103 -17.521 843 HB3 ALA 103 3HB ALA 103 -1.547 15.244 -18.176 844 H GLY 104 H GLY 104 -3.515 15.647 -14.623 845 HA2 GLY 104 2HA GLY 104 -5.229 16.531 -13.375 846 HA3 GLY 104 1HA GLY 104 -4.652 18.146 -13.781 847 H LEU 105 H LEU 105 -5.951 15.387 -15.621 848 HA LEU 105 HA LEU 105 -7.595 17.096 -17.304 849 HB2 LEU 105 2HB LEU 105 -7.246 14.072 -17.221 850 HB3 LEU 105 1HB LEU 105 -8.177 14.935 -18.438 851 HG LEU 105 HG LEU 105 -5.163 15.143 -18.007 852 HD11 LEU 105 1HD1 LEU 105 -4.970 14.100 -20.208 853 HD12 LEU 105 2HD1 LEU 105 -6.726 13.947 -20.311 854 HD13 LEU 105 3HD1 LEU 105 -5.833 13.058 -19.081 855 HD21 LEU 105 1HD2 LEU 105 -6.902 16.583 -20.035 856 HD22 LEU 105 2HD2 LEU 105 -5.136 16.560 -20.033 857 HD23 LEU 105 3HD2 LEU 105 -6.007 17.312 -18.701 858 H VAL 106 H VAL 106 -9.828 15.544 -17.749 859 HA VAL 106 HA VAL 106 -11.982 15.850 -17.278 860 HB VAL 106 HB VAL 106 -12.962 14.415 -15.520 861 HG11 VAL 106 1HG1 VAL 106 -12.066 12.249 -16.305 862 HG12 VAL 106 2HG1 VAL 106 -10.660 13.072 -16.986 863 HG13 VAL 106 3HG1 VAL 106 -12.268 13.396 -17.632 864 HG21 VAL 106 1HG2 VAL 106 -11.578 13.041 -13.996 865 HG22 VAL 106 2HG2 VAL 106 -11.380 14.760 -13.661 866 HG23 VAL 106 3HG2 VAL 106 -10.125 13.896 -14.543 867 HA PRO 107 HA PRO 107 -11.268 19.611 -14.519 868 HB2 PRO 107 2HB PRO 107 -12.349 21.450 -16.300 869 HB3 PRO 107 1HB PRO 107 -10.644 20.959 -16.318 870 HG2 PRO 107 2HG PRO 107 -12.900 19.970 -18.030 871 HG3 PRO 107 1HG PRO 107 -11.240 20.412 -18.498 872 HD2 PRO 107 2HD PRO 107 -11.960 17.831 -18.180 873 HD3 PRO 107 1HD PRO 107 -10.339 18.398 -17.727 874 H ARG 108 H ARG 108 -14.107 18.898 -16.563 875 HA ARG 108 HA ARG 108 -15.988 19.886 -14.558 876 HB2 ARG 108 2HB ARG 108 -16.445 18.540 -17.260 877 HB3 ARG 108 1HB ARG 108 -17.709 19.218 -16.236 878 HG2 ARG 108 2HG ARG 108 -16.679 21.471 -16.483 879 HG3 ARG 108 1HG ARG 108 -15.460 20.777 -17.557 880 HD2 ARG 108 2HD ARG 108 -17.193 21.841 -18.879 881 HD3 ARG 108 1HD ARG 108 -17.276 20.091 -19.119 882 HE ARG 108 HE ARG 108 -19.037 21.065 -17.044 883 HH11 ARG 108 1HH1 ARG 108 -18.778 20.498 -20.508 884 HH12 ARG 108 2HH1 ARG 108 -20.498 20.416 -20.738 885 HH21 ARG 108 1HH2 ARG 108 -21.296 20.963 -17.375 886 HH22 ARG 108 2HH2 ARG 108 -21.916 20.678 -18.974 887 H GLY 109 H GLY 109 -16.509 18.615 -12.914 888 HA2 GLY 109 2HA GLY 109 -15.683 15.898 -12.656 889 HA3 GLY 109 1HA GLY 109 -16.598 16.838 -11.497 890 H SER 110 H SER 110 -16.848 14.786 -14.351 891 HA SER 110 HA SER 110 -19.759 14.596 -14.194 892 HB2 SER 110 2HB SER 110 -18.600 14.704 -16.408 893 HB3 SER 110 1HB SER 110 -17.784 13.183 -16.046 894 HG SER 110 HG SER 110 -19.576 12.731 -17.289 895 H GLY 111 H GLY 111 -19.463 13.788 -11.924 896 HA2 GLY 111 2HA GLY 111 -19.943 12.190 -10.392 897 HA3 GLY 111 1HA GLY 111 -20.736 11.377 -11.719 898 H GLY 112 H GLY 112 -19.787 9.578 -12.639 899 HA2 GLY 112 2HA GLY 112 -18.343 7.910 -10.860 900 HA3 GLY 112 1HA GLY 112 -18.790 7.525 -12.511 901 H ILE 113 H ILE 113 -17.363 9.353 -14.012 902 HA ILE 113 HA ILE 113 -14.766 8.159 -13.989 903 HB ILE 113 HB ILE 113 -14.163 9.617 -15.866 904 HG12 ILE 113 2HG1 ILE 113 -16.845 11.039 -15.500 905 HG13 ILE 113 1HG1 ILE 113 -15.298 11.716 -15.011 906 HG21 ILE 113 1HG2 ILE 113 -16.997 8.545 -16.161 907 HG22 ILE 113 2HG2 ILE 113 -15.510 7.615 -16.354 908 HG23 ILE 113 3HG2 ILE 113 -15.892 8.910 -17.487 909 HD11 ILE 113 1HD1 ILE 113 -16.121 11.047 -17.834 910 HD12 ILE 113 2HD1 ILE 113 -14.562 11.720 -17.343 911 HD13 ILE 113 3HD1 ILE 113 -16.040 12.650 -17.102 912 H GLU 114 H GLU 114 -16.053 11.179 -12.742 913 HA GLU 114 HA GLU 114 -13.642 12.544 -12.215 914 HB2 GLU 114 2HB GLU 114 -15.810 13.671 -12.196 915 HB3 GLU 114 1HB GLU 114 -16.364 12.700 -10.840 916 HG2 GLU 114 2HG GLU 114 -13.947 14.498 -10.547 917 HG3 GLU 114 1HG GLU 114 -15.561 15.176 -10.450 918 H GLY 115 H GLY 115 -15.761 10.674 -10.012 919 HA2 GLY 115 2HA GLY 115 -14.163 10.561 -7.759 920 HA3 GLY 115 1HA GLY 115 -15.335 9.335 -8.207 921 H MET1001 H MET 1 -14.278 8.228 -10.446 922 HA MET1001 HA MET 1 -12.441 6.332 -9.576 923 HB2 MET1001 2HB MET 1 -13.864 5.975 -11.536 924 HB3 MET1001 1HB MET 1 -13.061 7.273 -12.405 925 HG2 MET1001 2HG MET 1 -10.959 5.931 -12.373 926 HG3 MET1001 1HG MET 1 -11.851 4.615 -11.610 927 HE1 MET1001 1HE MET 1 -12.830 6.155 -15.879 928 HE2 MET1001 2HE MET 1 -11.541 6.853 -14.900 929 HE3 MET1001 3HE MET 1 -13.227 7.064 -14.423 930 H THR1002 H THR 2 -11.767 9.135 -11.741 931 HA THR1002 HA THR 2 -8.982 8.596 -11.949 932 HB THR1002 HB THR 2 -8.795 10.887 -12.968 933 HG1 THR1002 HG1 THR 2 -11.602 11.017 -12.489 934 HG21 THR1002 1HG2 THR 2 -9.350 8.971 -14.403 935 HG22 THR1002 2HG2 THR 2 -10.183 10.426 -14.958 936 HG23 THR1002 3HG2 THR 2 -11.069 9.193 -14.059 937 H THR1003 H THR 3 -10.761 11.129 -10.103 938 HA THR1003 HA THR 3 -8.489 12.439 -9.102 939 HB THR1003 HB THR 3 -10.039 13.501 -7.448 940 HG1 THR1003 HG1 THR 3 -12.377 12.555 -8.322 941 HG21 THR1003 1HG2 THR 3 -11.179 13.326 -10.269 942 HG22 THR1003 2HG2 THR 3 -9.903 14.429 -9.742 943 HG23 THR1003 3HG2 THR 3 -11.537 14.592 -9.092 944 H ARG1004 H ARG 4 -10.514 9.859 -7.649 945 HA ARG1004 HA ARG 4 -9.145 9.856 -5.138 946 HB2 ARG1004 2HB ARG 4 -10.969 7.753 -6.372 947 HB3 ARG1004 1HB ARG 4 -10.375 7.702 -4.709 948 HG2 ARG1004 2HG ARG 4 -11.534 9.776 -4.175 949 HG3 ARG1004 1HG ARG 4 -12.027 9.977 -5.857 950 HD2 ARG1004 2HD ARG 4 -13.310 7.789 -5.620 951 HD3 ARG1004 1HD ARG 4 -12.980 7.883 -3.883 952 HE ARG1004 HE ARG 4 -14.059 10.317 -4.477 953 HH11 ARG1004 1HH1 ARG 4 -15.215 7.018 -4.978 954 HH12 ARG1004 2HH1 ARG 4 -16.887 7.483 -4.861 955 HH21 ARG1004 1HH2 ARG 4 -16.225 10.891 -4.315 956 HH22 ARG1004 2HH2 ARG 4 -17.461 9.676 -4.483 957 H LEU1005 H LEU 5 -8.874 7.786 -8.072 958 HA LEU1005 HA LEU 5 -6.876 6.077 -6.996 959 HB2 LEU1005 2HB LEU 5 -7.714 6.676 -9.845 960 HB3 LEU1005 1HB LEU 5 -6.342 5.632 -9.512 961 HG LEU1005 HG LEU 5 -9.203 5.098 -8.611 962 HD11 LEU1005 1HD1 LEU 5 -8.937 4.818 -11.027 963 HD12 LEU1005 2HD1 LEU 5 -9.130 3.247 -10.254 964 HD13 LEU1005 3HD1 LEU 5 -7.530 3.779 -10.783 965 HD21 LEU1005 1HD2 LEU 5 -8.360 2.895 -7.878 966 HD22 LEU1005 2HD2 LEU 5 -7.574 4.202 -6.994 967 HD23 LEU1005 3HD2 LEU 5 -6.712 3.375 -8.295 968 H THR1006 H THR 6 -6.610 9.159 -8.802 969 HA THR1006 HA THR 6 -3.768 9.048 -9.125 970 HB THR1006 HB THR 6 -3.900 11.502 -9.654 971 HG1 THR1006 HG1 THR 6 -6.649 11.125 -9.007 972 HG21 THR1006 1HG2 THR 6 -5.987 9.816 -11.081 973 HG22 THR1006 2HG2 THR 6 -4.262 9.849 -11.456 974 HG23 THR1006 3HG2 THR 6 -5.252 11.290 -11.705 975 H ARG1007 H ARG 7 -5.898 10.510 -6.676 976 HA ARG1007 HA ARG 7 -3.890 11.655 -5.013 977 HB2 ARG1007 2HB ARG 7 -6.262 12.269 -4.790 978 HB3 ARG1007 1HB ARG 7 -6.685 10.621 -4.343 979 HG2 ARG1007 2HG ARG 7 -6.677 12.069 -2.370 980 HG3 ARG1007 1HG ARG 7 -5.402 10.856 -2.238 981 HD2 ARG1007 2HD ARG 7 -3.777 12.616 -3.083 982 HD3 ARG1007 1HD ARG 7 -5.086 13.797 -2.936 983 HE ARG1007 HE ARG 7 -4.803 12.441 -0.487 984 HH11 ARG1007 1HH1 ARG 7 -3.025 14.762 -2.448 985 HH12 ARG1007 2HH1 ARG 7 -2.232 15.492 -1.088 986 HH21 ARG1007 1HH2 ARG 7 -3.751 13.379 1.288 987 HH22 ARG1007 2HH2 ARG 7 -2.652 14.701 1.047 988 H TRP1008 H TRP 8 -5.318 8.466 -5.244 989 HA TRP1008 HA TRP 8 -4.124 7.247 -2.991 990 HB2 TRP1008 2HB TRP 8 -5.892 5.956 -3.685 991 HB3 TRP1008 1HB TRP 8 -5.729 6.426 -5.364 992 HD1 TRP1008 HD1 TRP 8 -4.118 4.913 -6.897 993 HE1 TRP1008 HE1 TRP 8 -3.440 2.465 -6.709 994 HE3 TRP1008 HE3 TRP 8 -5.329 4.077 -2.009 995 HZ2 TRP1008 HZ2 TRP 8 -3.471 0.414 -4.833 996 HZ3 TRP1008 HZ3 TRP 8 -4.999 1.818 -1.094 997 HH2 TRP1008 HH2 TRP 8 -4.081 0.023 -2.482 998 H LEU1009 H LEU 9 -3.053 7.686 -6.377 999 HA LEU1009 HA LEU 9 -0.739 5.968 -6.174 1000 HB2 LEU1009 2HB LEU 9 -1.355 8.153 -8.216 1001 HB3 LEU1009 1HB LEU 9 -0.047 6.992 -8.348 1002 HG LEU1009 HG LEU 9 -3.020 6.360 -8.511 1003 HD11 LEU1009 1HD1 LEU 9 -2.162 7.495 -10.509 1004 HD12 LEU1009 2HD1 LEU 9 -2.589 5.823 -10.859 1005 HD13 LEU1009 3HD1 LEU 9 -0.892 6.278 -10.670 1006 HD21 LEU1009 1HD2 LEU 9 -0.696 4.443 -8.816 1007 HD22 LEU1009 2HD2 LEU 9 -2.405 4.061 -9.055 1008 HD23 LEU1009 3HD2 LEU 9 -1.814 4.496 -7.452 1009 H THR1010 H THR 10 -1.463 9.352 -5.704 1010 HA THR1010 HA THR 10 1.119 10.432 -5.308 1011 HB THR1010 HB THR 10 -1.626 11.240 -4.238 1012 HG1 THR1010 HG1 THR 10 -1.013 11.306 -6.612 1013 HG21 THR1010 1HG2 THR 10 0.082 12.230 -2.788 1014 HG22 THR1010 2HG2 THR 10 -0.677 13.468 -3.790 1015 HG23 THR1010 3HG2 THR 10 0.931 12.869 -4.198 1016 H ALA1011 H ALA 11 -1.271 8.990 -3.087 1017 HA ALA1011 HA ALA 11 0.257 9.283 -0.688 1018 HB1 ALA1011 1HB ALA 11 -2.107 7.473 -1.284 1019 HB2 ALA1011 2HB ALA 11 -2.190 9.122 -0.663 1020 HB3 ALA1011 3HB ALA 11 -1.469 7.851 0.323 1021 H LEU1012 H LEU 12 0.026 6.815 -3.170 1022 HA LEU1012 HA LEU 12 1.374 4.701 -1.786 1023 HB2 LEU1012 2HB LEU 12 1.140 5.191 -4.791 1024 HB3 LEU1012 1HB LEU 12 1.765 3.726 -4.057 1025 HG LEU1012 HG LEU 12 -1.095 4.688 -4.189 1026 HD11 LEU1012 1HD1 LEU 12 -1.502 2.489 -5.184 1027 HD12 LEU1012 2HD1 LEU 12 0.205 2.084 -5.001 1028 HD13 LEU1012 3HD1 LEU 12 -0.280 3.394 -6.078 1029 HD21 LEU1012 1HD2 LEU 12 -0.789 4.029 -1.862 1030 HD22 LEU1012 2HD2 LEU 12 -0.108 2.482 -2.369 1031 HD23 LEU1012 3HD2 LEU 12 -1.796 2.859 -2.720 1032 H ASP1013 H ASP 13 2.350 7.255 -4.042 1033 HA ASP1013 HA ASP 13 5.102 6.672 -4.278 1034 HB2 ASP1013 2HB ASP 13 3.958 8.158 -5.862 1035 HB3 ASP1013 1HB ASP 13 3.578 9.302 -4.585 1036 H ASN1014 H ASN 14 3.269 8.693 -2.026 1037 HA ASN1014 HA ASN 14 5.378 9.839 -0.561 1038 HB2 ASN1014 2HB ASN 14 3.071 10.686 -0.419 1039 HB3 ASN1014 1HB ASN 14 2.535 9.185 0.326 1040 HD21 ASN1014 1HD2 ASN 14 5.508 11.026 1.062 1041 HD22 ASN1014 2HD2 ASN 14 5.060 11.419 2.681 1042 H PHE1015 H PHE 15 3.395 6.935 0.095 1043 HA PHE1015 HA PHE 15 4.594 6.049 2.455 1044 HB2 PHE1015 2HB PHE 15 2.499 5.090 1.779 1045 HB3 PHE1015 1HB PHE 15 3.138 4.589 0.216 1046 HD1 PHE1015 HD1 PHE 15 3.680 2.335 -0.039 1047 HD2 PHE1015 HD2 PHE 15 3.754 3.973 3.893 1048 HE1 PHE1015 HE1 PHE 15 4.151 0.102 0.871 1049 HE2 PHE1015 HE2 PHE 15 4.224 1.736 4.812 1050 HZ PHE1015 HZ PHE 15 4.418 -0.203 3.299 1051 H GLU1016 H GLU 16 5.087 4.788 -0.836 1052 HA GLU1016 HA GLU 16 7.155 3.093 -0.685 1053 HB2 GLU1016 2HB GLU 16 5.943 3.651 -2.746 1054 HB3 GLU1016 1HB GLU 16 6.678 5.250 -2.780 1055 HG2 GLU1016 2HG GLU 16 8.919 4.129 -3.097 1056 HG3 GLU1016 1HG GLU 16 8.063 2.592 -3.242 1057 H ALA1017 H ALA 17 7.548 6.600 -1.181 1058 HA ALA1017 HA ALA 17 10.342 6.700 -1.185 1059 HB1 ALA1017 1HB ALA 17 10.071 9.117 -0.873 1060 HB2 ALA1017 2HB ALA 17 8.379 8.875 -0.417 1061 HB3 ALA1017 3HB ALA 17 8.922 8.490 -2.050 1062 H LYS1018 H LYS 18 8.115 7.579 1.480 1063 HA LYS1018 HA LYS 18 10.233 8.310 3.264 1064 HB2 LYS1018 2HB LYS 18 7.265 7.879 3.821 1065 HB3 LYS1018 1HB LYS 18 8.399 8.675 4.906 1066 HG2 LYS1018 2HG LYS 18 7.567 9.662 2.161 1067 HG3 LYS1018 1HG LYS 18 7.003 10.297 3.700 1068 HD2 LYS1018 2HD LYS 18 9.956 10.340 2.992 1069 HD3 LYS1018 1HD LYS 18 8.860 11.595 2.414 1070 HE2 LYS1018 2HE LYS 18 9.973 12.351 4.445 1071 HE3 LYS1018 1HE LYS 18 8.252 12.143 4.751 1072 HZ1 LYS1018 1HZ LYS 18 9.658 11.322 6.559 1073 HZ2 LYS1018 2HZ LYS 18 10.357 10.188 5.528 1074 HZ3 LYS1018 3HZ LYS 18 8.715 10.091 5.902 1075 H MET1019 H MET 19 8.395 5.376 2.751 1076 HA MET1019 HA MET 19 9.212 4.155 5.242 1077 HB2 MET1019 2HB MET 19 7.810 2.366 4.757 1078 HB3 MET1019 1HB MET 19 6.978 3.695 3.977 1079 HG2 MET1019 2HG MET 19 7.093 2.683 1.949 1080 HG3 MET1019 1HG MET 19 8.809 2.326 2.124 1081 HE1 MET1019 1HE MET 19 8.513 0.700 4.990 1082 HE2 MET1019 2HE MET 19 9.660 0.264 3.717 1083 HE3 MET1019 3HE MET 19 8.548 -0.944 4.368 1084 H ALA1020 H ALA 20 10.258 4.134 1.852 1085 HA ALA1020 HA ALA 20 12.327 2.193 2.158 1086 HB1 ALA1020 1HB ALA 20 11.607 2.973 -0.057 1087 HB2 ALA1020 2HB ALA 20 13.342 3.219 0.154 1088 HB3 ALA1020 3HB ALA 20 12.227 4.587 0.280 1089 H LEU1021 H LEU 21 12.082 5.661 2.831 1090 HA LEU1021 HA LEU 21 14.825 6.089 3.510 1091 HB2 LEU1021 2HB LEU 21 12.344 7.734 4.144 1092 HB3 LEU1021 1HB LEU 21 13.984 8.255 4.505 1093 HG LEU1021 HG LEU 21 12.853 7.766 1.724 1094 HD11 LEU1021 1HD1 LEU 21 13.046 10.195 1.428 1095 HD12 LEU1021 2HD1 LEU 21 13.582 10.370 3.100 1096 HD13 LEU1021 3HD1 LEU 21 11.950 9.793 2.750 1097 HD21 LEU1021 1HD2 LEU 21 15.218 7.177 1.776 1098 HD22 LEU1021 2HD2 LEU 21 15.616 8.724 2.524 1099 HD23 LEU1021 3HD2 LEU 21 14.982 8.679 0.877 1100 H LEU1022 H LEU 22 12.046 4.951 5.376 1101 HA LEU1022 HA LEU 22 12.797 5.194 8.002 1102 HB2 LEU1022 2HB LEU 22 11.679 2.753 6.592 1103 HB3 LEU1022 1HB LEU 22 11.920 2.772 8.329 1104 HG LEU1022 HG LEU 22 10.037 4.602 6.785 1105 HD11 LEU1022 1HD1 LEU 22 9.229 2.291 6.858 1106 HD12 LEU1022 2HD1 LEU 22 8.246 3.320 7.896 1107 HD13 LEU1022 3HD1 LEU 22 9.450 2.241 8.612 1108 HD21 LEU1022 1HD2 LEU 22 10.516 4.372 9.773 1109 HD22 LEU1022 2HD2 LEU 22 9.240 5.328 9.005 1110 HD23 LEU1022 3HD2 LEU 22 10.932 5.749 8.746 1111 HA PRO1023 HA PRO 23 16.841 2.989 7.821 1112 HB2 PRO1023 2HB PRO 23 18.154 4.409 9.691 1113 HB3 PRO1023 1HB PRO 23 17.743 5.154 8.131 1114 HG2 PRO1023 2HG PRO 23 16.411 5.510 10.786 1115 HG3 PRO1023 1HG PRO 23 16.743 6.712 9.521 1116 HD2 PRO1023 2HD PRO 23 14.286 5.381 9.907 1117 HD3 PRO1023 1HD PRO 23 14.764 6.277 8.448 1118 H ALA1024 H ALA 24 14.304 2.614 9.701 1119 HA ALA1024 HA ALA 24 15.445 1.428 12.106 1120 HB1 ALA1024 1HB ALA 24 13.497 2.929 12.251 1121 HB2 ALA1024 2HB ALA 24 13.109 1.316 12.842 1122 HB3 ALA1024 3HB ALA 24 12.552 1.823 11.248 1123 H VAL1025 H VAL 25 13.996 0.424 9.053 1124 HA VAL1025 HA VAL 25 14.548 -2.405 9.737 1125 HB VAL1025 HB VAL 25 12.245 -1.510 7.914 1126 HG11 VAL1025 1HG1 VAL 25 12.984 -4.271 8.976 1127 HG12 VAL1025 2HG1 VAL 25 13.173 -3.709 7.313 1128 HG13 VAL1025 3HG1 VAL 25 11.560 -3.894 8.001 1129 HG21 VAL1025 1HG2 VAL 25 12.080 -2.533 10.778 1130 HG22 VAL1025 2HG2 VAL 25 10.698 -2.262 9.709 1131 HG23 VAL1025 3HG2 VAL 25 11.696 -0.900 10.227 Start of MODEL 20 1 H1 MET 1 1H MET 1 5.391 -3.870 24.446 2 H2 MET 1 2H MET 1 5.851 -5.233 25.331 3 H3 MET 1 3H MET 1 4.237 -4.737 25.327 4 HA MET 1 HA MET 1 5.764 -5.724 23.004 5 HB2 MET 1 2HB MET 1 5.184 -7.481 24.720 6 HB3 MET 1 1HB MET 1 3.486 -7.087 24.511 7 HG2 MET 1 2HG MET 1 3.718 -7.760 22.087 8 HG3 MET 1 1HG MET 1 5.344 -8.326 22.467 9 HE1 MET 1 1HE MET 1 3.135 -11.613 22.010 10 HE2 MET 1 2HE MET 1 4.501 -10.704 21.365 11 HE3 MET 1 3HE MET 1 2.858 -10.087 21.172 12 H THR 2 H THR 2 3.192 -3.684 24.017 13 HA THR 2 HA THR 2 1.230 -4.119 22.059 14 HB THR 2 HB THR 2 0.705 -1.599 22.388 15 HG1 THR 2 HG1 THR 2 2.615 -0.760 23.068 16 HG21 THR 2 1HG2 THR 2 -0.465 -3.364 23.672 17 HG22 THR 2 2HG2 THR 2 -0.180 -1.937 24.668 18 HG23 THR 2 3HG2 THR 2 0.836 -3.366 24.866 19 H SER 3 H SER 3 4.164 -2.109 21.934 20 HA SER 3 HA SER 3 3.905 -1.035 19.357 21 HB2 SER 3 2HB SER 3 5.617 -0.202 20.874 22 HB3 SER 3 1HB SER 3 6.414 -1.774 20.922 23 HG SER 3 HG SER 3 6.259 0.068 18.770 24 H THR 4 H THR 4 5.441 -4.071 20.438 25 HA THR 4 HA THR 4 6.369 -5.091 18.010 26 HB THR 4 HB THR 4 5.400 -6.518 20.522 27 HG1 THR 4 HG1 THR 4 7.628 -5.130 19.890 28 HG21 THR 4 1HG2 THR 4 6.738 -8.482 19.793 29 HG22 THR 4 2HG2 THR 4 7.020 -7.710 18.232 30 HG23 THR 4 3HG2 THR 4 5.385 -8.176 18.702 31 H VAL 5 H VAL 5 3.258 -5.772 19.647 32 HA VAL 5 HA VAL 5 2.226 -7.610 17.811 33 HB VAL 5 HB VAL 5 0.686 -5.771 19.710 34 HG11 VAL 5 1HG1 VAL 5 -0.280 -8.296 18.305 35 HG12 VAL 5 2HG1 VAL 5 -0.808 -6.649 17.954 36 HG13 VAL 5 3HG1 VAL 5 -1.185 -7.379 19.514 37 HG21 VAL 5 1HG2 VAL 5 0.630 -7.696 21.248 38 HG22 VAL 5 2HG2 VAL 5 2.293 -7.237 20.885 39 HG23 VAL 5 3HG2 VAL 5 1.584 -8.653 20.108 40 H GLU 6 H GLU 6 1.448 -4.123 18.225 41 HA GLU 6 HA GLU 6 -0.281 -3.885 16.036 42 HB2 GLU 6 2HB GLU 6 1.473 -1.750 17.316 43 HB3 GLU 6 1HB GLU 6 0.168 -1.420 16.178 44 HG2 GLU 6 2HG GLU 6 -1.465 -2.377 17.752 45 HG3 GLU 6 1HG GLU 6 -0.170 -2.730 18.893 46 H PHE 7 H PHE 7 3.251 -3.409 16.204 47 HA PHE 7 HA PHE 7 3.649 -2.277 13.652 48 HB2 PHE 7 2HB PHE 7 5.265 -2.377 15.639 49 HB3 PHE 7 1HB PHE 7 5.647 -4.022 15.156 50 HD1 PHE 7 HD1 PHE 7 7.638 -4.248 13.921 51 HD2 PHE 7 HD2 PHE 7 5.411 -0.609 13.590 52 HE1 PHE 7 HE1 PHE 7 9.400 -3.288 12.499 53 HE2 PHE 7 HE2 PHE 7 7.176 0.336 12.166 54 HZ PHE 7 HZ PHE 7 9.169 -0.998 11.627 55 H ILE 8 H ILE 8 4.111 -5.681 14.706 56 HA ILE 8 HA ILE 8 4.733 -6.769 12.159 57 HB ILE 8 HB ILE 8 3.591 -8.186 14.611 58 HG12 ILE 8 2HG1 ILE 8 6.512 -7.955 13.748 59 HG13 ILE 8 1HG1 ILE 8 5.770 -6.951 14.989 60 HG21 ILE 8 1HG2 ILE 8 3.322 -9.582 12.598 61 HG22 ILE 8 2HG2 ILE 8 4.549 -10.267 13.661 62 HG23 ILE 8 3HG2 ILE 8 5.033 -9.386 12.211 63 HD11 ILE 8 1HD1 ILE 8 7.066 -8.774 15.935 64 HD12 ILE 8 2HD1 ILE 8 6.045 -9.950 15.112 65 HD13 ILE 8 3HD1 ILE 8 5.362 -8.907 16.361 66 H ASN 9 H ASN 9 1.666 -6.469 13.949 67 HA ASN 9 HA ASN 9 0.070 -8.049 12.192 68 HB2 ASN 9 2HB ASN 9 -0.678 -5.994 14.307 69 HB3 ASN 9 1HB ASN 9 -1.893 -6.813 13.341 70 HD21 ASN 9 1HD2 ASN 9 1.070 -8.278 14.714 71 HD22 ASN 9 2HD2 ASN 9 0.227 -9.361 15.762 72 H ARG 10 H ARG 10 0.858 -4.599 12.325 73 HA ARG 10 HA ARG 10 -1.059 -3.785 10.348 74 HB2 ARG 10 2HB ARG 10 1.343 -2.377 11.561 75 HB3 ARG 10 1HB ARG 10 0.367 -1.633 10.294 76 HG2 ARG 10 2HG ARG 10 -1.563 -1.534 11.672 77 HG3 ARG 10 1HG ARG 10 -0.884 -2.658 12.852 78 HD2 ARG 10 2HD ARG 10 0.822 -0.924 13.452 79 HD3 ARG 10 1HD ARG 10 0.007 0.205 12.355 80 HE ARG 10 HE ARG 10 -1.842 -0.929 14.188 81 HH11 ARG 10 1HH1 ARG 10 0.700 1.514 14.103 82 HH12 ARG 10 2HH1 ARG 10 0.006 2.419 15.412 83 HH21 ARG 10 1HH2 ARG 10 -2.719 0.273 15.847 84 HH22 ARG 10 2HH2 ARG 10 -1.927 1.715 16.398 85 H TRP 11 H TRP 11 2.495 -4.342 10.260 86 HA TRP 11 HA TRP 11 2.825 -3.989 7.498 87 HB2 TRP 11 2HB TRP 11 4.368 -5.650 9.518 88 HB3 TRP 11 1HB TRP 11 4.812 -5.660 7.813 89 HD1 TRP 11 HD1 TRP 11 5.740 -3.929 10.862 90 HE1 TRP 11 HE1 TRP 11 6.899 -1.705 10.356 91 HE3 TRP 11 HE3 TRP 11 4.461 -3.401 5.936 92 HZ2 TRP 11 HZ2 TRP 11 7.236 0.069 8.215 93 HZ3 TRP 11 HZ3 TRP 11 5.232 -1.397 4.735 94 HH2 TRP 11 HH2 TRP 11 6.586 0.302 5.861 95 H GLN 12 H GLN 12 1.782 -6.843 9.328 96 HA GLN 12 HA GLN 12 1.732 -8.747 7.279 97 HB2 GLN 12 2HB GLN 12 1.395 -9.346 9.666 98 HB3 GLN 12 1HB GLN 12 -0.162 -8.525 9.663 99 HG2 GLN 12 2HG GLN 12 -0.943 -10.150 7.903 100 HG3 GLN 12 1HG GLN 12 0.586 -11.009 8.090 101 HE21 GLN 12 1HE2 GLN 12 -0.514 -12.894 8.711 102 HE22 GLN 12 2HE2 GLN 12 -1.266 -13.065 10.256 103 H ARG 13 H ARG 13 -0.946 -6.669 8.480 104 HA ARG 13 HA ARG 13 -2.804 -7.541 6.517 105 HB2 ARG 13 2HB ARG 13 -4.299 -5.767 7.296 106 HB3 ARG 13 1HB ARG 13 -3.592 -6.625 8.659 107 HG2 ARG 13 2HG ARG 13 -2.106 -4.796 9.142 108 HG3 ARG 13 1HG ARG 13 -2.544 -3.968 7.650 109 HD2 ARG 13 2HD ARG 13 -4.495 -4.504 9.919 110 HD3 ARG 13 1HD ARG 13 -3.587 -3.001 9.720 111 HE ARG 13 HE ARG 13 -5.116 -3.767 7.390 112 HH11 ARG 13 1HH1 ARG 13 -5.286 -1.999 10.438 113 HH12 ARG 13 2HH1 ARG 13 -6.608 -1.003 9.921 114 HH21 ARG 13 1HH2 ARG 13 -6.809 -2.416 6.713 115 HH22 ARG 13 2HH2 ARG 13 -7.471 -1.240 7.804 116 H ILE 14 H ILE 14 -0.384 -4.998 6.476 117 HA ILE 14 HA ILE 14 -1.386 -3.539 4.216 118 HB ILE 14 HB ILE 14 1.403 -3.712 5.452 119 HG12 ILE 14 2HG1 ILE 14 -0.617 -1.429 5.443 120 HG13 ILE 14 1HG1 ILE 14 -0.383 -2.554 6.775 121 HG21 ILE 14 1HG2 ILE 14 2.106 -1.792 4.083 122 HG22 ILE 14 2HG2 ILE 14 0.564 -1.818 3.226 123 HG23 ILE 14 3HG2 ILE 14 1.686 -3.166 3.060 124 HD11 ILE 14 1HD1 ILE 14 1.943 -1.761 6.992 125 HD12 ILE 14 2HD1 ILE 14 0.739 -0.503 7.244 126 HD13 ILE 14 3HD1 ILE 14 1.625 -0.572 5.723 127 H ALA 15 H ALA 15 0.944 -6.225 4.596 128 HA ALA 15 HA ALA 15 1.578 -6.523 1.839 129 HB1 ALA 15 1HB ALA 15 2.487 -8.719 2.476 130 HB2 ALA 15 2HB ALA 15 1.701 -8.594 4.053 131 HB3 ALA 15 3HB ALA 15 2.986 -7.468 3.616 132 H LEU 16 H LEU 16 -0.909 -7.972 3.920 133 HA LEU 16 HA LEU 16 -2.003 -9.807 2.048 134 HB2 LEU 16 2HB LEU 16 -3.357 -8.508 4.442 135 HB3 LEU 16 1HB LEU 16 -3.947 -9.922 3.587 136 HG LEU 16 HG LEU 16 -1.394 -9.785 5.234 137 HD11 LEU 16 1HD1 LEU 16 -3.397 -9.687 6.630 138 HD12 LEU 16 2HD1 LEU 16 -2.544 -11.211 6.850 139 HD13 LEU 16 3HD1 LEU 16 -4.017 -11.159 5.877 140 HD21 LEU 16 1HD2 LEU 16 -1.119 -11.367 3.402 141 HD22 LEU 16 2HD2 LEU 16 -2.622 -12.179 3.841 142 HD23 LEU 16 3HD2 LEU 16 -1.243 -12.218 4.941 143 H LEU 17 H LEU 17 -2.821 -6.460 2.943 144 HA LEU 17 HA LEU 17 -5.117 -6.199 1.278 145 HB2 LEU 17 2HB LEU 17 -3.337 -4.175 2.667 146 HB3 LEU 17 1HB LEU 17 -4.580 -3.634 1.552 147 HG LEU 17 HG LEU 17 -5.179 -5.326 4.014 148 HD11 LEU 17 1HD1 LEU 17 -5.446 -2.313 3.756 149 HD12 LEU 17 2HD1 LEU 17 -4.220 -3.159 4.701 150 HD13 LEU 17 3HD1 LEU 17 -5.918 -3.297 5.145 151 HD21 LEU 17 1HD2 LEU 17 -7.029 -3.719 2.215 152 HD22 LEU 17 2HD2 LEU 17 -7.502 -4.633 3.652 153 HD23 LEU 17 3HD2 LEU 17 -6.875 -5.480 2.241 154 H SER 18 H SER 18 -1.664 -5.352 0.804 155 HA SER 18 HA SER 18 -2.029 -4.037 -1.680 156 HB2 SER 18 2HB SER 18 0.437 -4.288 -1.953 157 HB3 SER 18 1HB SER 18 -0.001 -3.674 -0.360 158 HG SER 18 HG SER 18 0.924 -5.332 0.482 159 H GLN 19 H GLN 19 -1.336 -7.449 -0.864 160 HA GLN 19 HA GLN 19 -0.987 -8.225 -3.622 161 HB2 GLN 19 2HB GLN 19 -0.655 -10.455 -2.855 162 HB3 GLN 19 1HB GLN 19 0.107 -9.395 -1.680 163 HG2 GLN 19 2HG GLN 19 -1.913 -9.683 -0.210 164 HG3 GLN 19 1HG GLN 19 -2.517 -10.874 -1.362 165 HE21 GLN 19 1HE2 GLN 19 -1.895 -11.321 1.404 166 HE22 GLN 19 2HE2 GLN 19 -0.633 -12.497 1.469 167 H SER 20 H SER 20 -3.724 -8.269 -1.340 168 HA SER 20 HA SER 20 -5.483 -9.800 -2.999 169 HB2 SER 20 2HB SER 20 -7.293 -9.017 -1.492 170 HB3 SER 20 1HB SER 20 -5.903 -9.587 -0.571 171 HG SER 20 HG SER 20 -5.779 -7.694 0.295 172 H LEU 21 H LEU 21 -5.243 -6.317 -2.305 173 HA LEU 21 HA LEU 21 -6.975 -5.274 -4.211 174 HB2 LEU 21 2HB LEU 21 -4.428 -4.086 -3.046 175 HB3 LEU 21 1HB LEU 21 -5.531 -3.172 -4.060 176 HG LEU 21 HG LEU 21 -6.311 -4.385 -1.376 177 HD11 LEU 21 1HD1 LEU 21 -6.151 -2.115 -0.446 178 HD12 LEU 21 2HD1 LEU 21 -5.536 -1.509 -1.985 179 HD13 LEU 21 3HD1 LEU 21 -4.587 -2.665 -1.048 180 HD21 LEU 21 1HD2 LEU 21 -8.212 -4.065 -2.889 181 HD22 LEU 21 2HD2 LEU 21 -7.758 -2.375 -3.131 182 HD23 LEU 21 3HD2 LEU 21 -8.279 -2.932 -1.542 183 H LEU 22 H LEU 22 -3.568 -6.303 -4.558 184 HA LEU 22 HA LEU 22 -3.162 -5.319 -7.179 185 HB2 LEU 22 2HB LEU 22 -1.248 -6.092 -5.921 186 HB3 LEU 22 1HB LEU 22 -1.929 -7.706 -5.766 187 HG LEU 22 HG LEU 22 -1.648 -8.091 -8.193 188 HD11 LEU 22 1HD1 LEU 22 -0.415 -6.504 -9.617 189 HD12 LEU 22 2HD1 LEU 22 -0.452 -5.310 -8.316 190 HD13 LEU 22 3HD1 LEU 22 -1.957 -5.855 -9.061 191 HD21 LEU 22 1HD2 LEU 22 0.917 -7.144 -6.890 192 HD22 LEU 22 2HD2 LEU 22 0.786 -8.241 -8.268 193 HD23 LEU 22 3HD2 LEU 22 0.172 -8.733 -6.693 194 H GLU 23 H GLU 23 -4.260 -8.515 -6.028 195 HA GLU 23 HA GLU 23 -4.743 -9.605 -8.608 196 HB2 GLU 23 2HB GLU 23 -5.813 -10.395 -5.875 197 HB3 GLU 23 1HB GLU 23 -6.046 -11.355 -7.336 198 HG2 GLU 23 2HG GLU 23 -3.620 -11.637 -7.572 199 HG3 GLU 23 1HG GLU 23 -3.345 -10.618 -6.164 200 H LEU 24 H LEU 24 -6.649 -7.536 -6.536 201 HA LEU 24 HA LEU 24 -9.130 -7.769 -8.002 202 HB2 LEU 24 2HB LEU 24 -8.137 -5.668 -6.037 203 HB3 LEU 24 1HB LEU 24 -9.752 -5.671 -6.727 204 HG LEU 24 HG LEU 24 -8.635 -7.882 -4.965 205 HD11 LEU 24 1HD1 LEU 24 -10.537 -5.639 -4.243 206 HD12 LEU 24 2HD1 LEU 24 -8.875 -5.836 -3.682 207 HD13 LEU 24 3HD1 LEU 24 -10.105 -7.003 -3.204 208 HD21 LEU 24 1HD2 LEU 24 -10.950 -8.695 -4.853 209 HD22 LEU 24 2HD2 LEU 24 -10.341 -8.710 -6.505 210 HD23 LEU 24 3HD2 LEU 24 -11.454 -7.442 -5.989 211 H ALA 25 H ALA 25 -6.263 -5.714 -8.140 212 HA ALA 25 HA ALA 25 -7.269 -3.825 -10.056 213 HB1 ALA 25 1HB ALA 25 -5.382 -3.284 -8.566 214 HB2 ALA 25 2HB ALA 25 -4.918 -3.107 -10.256 215 HB3 ALA 25 3HB ALA 25 -4.392 -4.523 -9.339 216 H GLN 26 H GLN 26 -5.625 -6.919 -10.192 217 HA GLN 26 HA GLN 26 -5.292 -7.087 -13.041 218 HB2 GLN 26 2HB GLN 26 -5.447 -9.294 -10.929 219 HB3 GLN 26 1HB GLN 26 -4.936 -9.531 -12.596 220 HG2 GLN 26 2HG GLN 26 -3.496 -7.816 -10.553 221 HG3 GLN 26 1HG GLN 26 -3.043 -9.453 -11.013 222 HE21 GLN 26 1HE2 GLN 26 -1.468 -7.017 -11.190 223 HE22 GLN 26 2HE2 GLN 26 -1.044 -6.829 -12.852 224 H ARG 27 H ARG 27 -7.792 -7.980 -10.708 225 HA ARG 27 HA ARG 27 -9.482 -9.421 -12.547 226 HB2 ARG 27 2HB ARG 27 -9.285 -9.725 -9.983 227 HB3 ARG 27 1HB ARG 27 -10.287 -8.290 -9.830 228 HG2 ARG 27 2HG ARG 27 -11.659 -10.263 -9.579 229 HG3 ARG 27 1HG ARG 27 -12.097 -9.463 -11.092 230 HD2 ARG 27 2HD ARG 27 -11.958 -11.920 -11.339 231 HD3 ARG 27 1HD ARG 27 -10.780 -11.090 -12.358 232 HE ARG 27 HE ARG 27 -9.952 -12.130 -9.726 233 HH11 ARG 27 1HH1 ARG 27 -9.678 -12.302 -13.237 234 HH12 ARG 27 2HH1 ARG 27 -8.270 -13.320 -13.189 235 HH21 ARG 27 1HH2 ARG 27 -8.094 -13.442 -9.687 236 HH22 ARG 27 2HH2 ARG 27 -7.373 -13.966 -11.181 237 H GLY 28 H GLY 28 -9.022 -6.084 -11.844 238 HA2 GLY 28 2HA GLY 28 -9.954 -4.232 -12.881 239 HA3 GLY 28 1HA GLY 28 -11.161 -5.259 -13.634 240 H GLU 29 H GLU 29 -10.812 -5.590 -10.242 241 HA GLU 29 HA GLU 29 -13.435 -4.540 -9.673 242 HB2 GLU 29 2HB GLU 29 -11.327 -5.609 -7.746 243 HB3 GLU 29 1HB GLU 29 -13.031 -5.364 -7.390 244 HG2 GLU 29 2HG GLU 29 -11.830 -7.406 -9.267 245 HG3 GLU 29 1HG GLU 29 -12.629 -7.713 -7.727 246 H TRP 30 H TRP 30 -12.756 -2.331 -10.433 247 HA TRP 30 HA TRP 30 -10.922 -0.700 -9.014 248 HB2 TRP 30 2HB TRP 30 -13.310 0.347 -10.600 249 HB3 TRP 30 1HB TRP 30 -11.756 1.138 -10.341 250 HD1 TRP 30 HD1 TRP 30 -13.535 -0.617 -12.981 251 HE1 TRP 30 HE1 TRP 30 -11.951 -1.610 -14.739 252 HE3 TRP 30 HE3 TRP 30 -9.107 -0.228 -10.437 253 HZ2 TRP 30 HZ2 TRP 30 -9.219 -2.158 -15.026 254 HZ3 TRP 30 HZ3 TRP 30 -7.048 -1.019 -11.529 255 HH2 TRP 30 HH2 TRP 30 -7.105 -1.965 -13.782 256 H ASP 31 H ASP 31 -14.300 -1.436 -8.594 257 HA ASP 31 HA ASP 31 -15.081 0.542 -6.740 258 HB2 ASP 31 2HB ASP 31 -16.721 -0.800 -7.948 259 HB3 ASP 31 1HB ASP 31 -16.106 -2.283 -7.244 260 H LEU 32 H LEU 32 -13.873 -2.797 -6.234 261 HA LEU 32 HA LEU 32 -13.893 -2.703 -3.390 262 HB2 LEU 32 2HB LEU 32 -12.383 -4.541 -5.283 263 HB3 LEU 32 1HB LEU 32 -12.434 -4.764 -3.541 264 HG LEU 32 HG LEU 32 -14.802 -4.949 -5.445 265 HD11 LEU 32 1HD1 LEU 32 -13.360 -6.893 -5.602 266 HD12 LEU 32 2HD1 LEU 32 -14.867 -7.328 -4.803 267 HD13 LEU 32 3HD1 LEU 32 -13.395 -7.109 -3.850 268 HD21 LEU 32 1HD2 LEU 32 -14.780 -5.282 -2.434 269 HD22 LEU 32 2HD2 LEU 32 -16.143 -5.635 -3.498 270 HD23 LEU 32 3HD2 LEU 32 -15.554 -3.983 -3.342 271 H LEU 33 H LEU 33 -11.461 -1.815 -5.799 272 HA LEU 33 HA LEU 33 -9.260 -1.414 -4.058 273 HB2 LEU 33 2HB LEU 33 -9.912 0.043 -6.653 274 HB3 LEU 33 1HB LEU 33 -8.359 0.098 -5.831 275 HG LEU 33 HG LEU 33 -9.614 -2.335 -7.153 276 HD11 LEU 33 1HD1 LEU 33 -7.745 -2.219 -8.710 277 HD12 LEU 33 2HD1 LEU 33 -7.134 -0.773 -7.901 278 HD13 LEU 33 3HD1 LEU 33 -8.685 -0.728 -8.742 279 HD21 LEU 33 1HD2 LEU 33 -6.985 -2.158 -5.669 280 HD22 LEU 33 2HD2 LEU 33 -7.557 -3.541 -6.607 281 HD23 LEU 33 3HD2 LEU 33 -8.423 -3.045 -5.157 282 H LEU 34 H LEU 34 -11.793 0.827 -5.214 283 HA LEU 34 HA LEU 34 -10.794 3.106 -3.777 284 HB2 LEU 34 2HB LEU 34 -13.484 2.662 -5.122 285 HB3 LEU 34 1HB LEU 34 -12.905 4.210 -4.519 286 HG LEU 34 HG LEU 34 -11.707 2.613 -6.812 287 HD11 LEU 34 1HD1 LEU 34 -12.432 4.458 -8.238 288 HD12 LEU 34 2HD1 LEU 34 -13.165 5.266 -6.853 289 HD13 LEU 34 3HD1 LEU 34 -13.801 3.718 -7.411 290 HD21 LEU 34 1HD2 LEU 34 -10.759 5.225 -5.607 291 HD22 LEU 34 2HD2 LEU 34 -10.198 4.556 -7.139 292 HD23 LEU 34 3HD2 LEU 34 -9.897 3.684 -5.640 293 H GLN 35 H GLN 35 -12.971 0.521 -2.949 294 HA GLN 35 HA GLN 35 -14.212 1.852 -0.707 295 HB2 GLN 35 2HB GLN 35 -15.249 -0.086 -1.950 296 HB3 GLN 35 1HB GLN 35 -14.015 -1.138 -1.269 297 HG2 GLN 35 2HG GLN 35 -16.129 -1.335 -0.043 298 HG3 GLN 35 1HG GLN 35 -14.859 -0.691 0.998 299 HE21 GLN 35 1HE2 GLN 35 -15.009 1.478 1.695 300 HE22 GLN 35 2HE2 GLN 35 -16.466 2.396 1.547 301 H GLN 36 H GLN 36 -11.715 -0.649 -1.077 302 HA GLN 36 HA GLN 36 -10.868 -0.630 1.678 303 HB2 GLN 36 2HB GLN 36 -9.690 -1.914 -0.810 304 HB3 GLN 36 1HB GLN 36 -9.010 -2.120 0.803 305 HG2 GLN 36 2HG GLN 36 -11.001 -3.264 1.573 306 HG3 GLN 36 1HG GLN 36 -11.844 -2.905 0.064 307 HE21 GLN 36 1HE2 GLN 36 -11.300 -4.059 -1.800 308 HE22 GLN 36 2HE2 GLN 36 -10.399 -5.530 -1.738 309 H GLU 37 H GLU 37 -10.225 1.412 -0.947 310 HA GLU 37 HA GLU 37 -7.689 2.299 -0.931 311 HB2 GLU 37 2HB GLU 37 -9.527 3.293 -2.241 312 HB3 GLU 37 1HB GLU 37 -10.195 4.017 -0.786 313 HG2 GLU 37 2HG GLU 37 -8.045 5.372 -0.609 314 HG3 GLU 37 1HG GLU 37 -7.629 4.771 -2.216 315 H VAL 38 H VAL 38 -10.123 3.653 1.315 316 HA VAL 38 HA VAL 38 -8.379 5.165 2.893 317 HB VAL 38 HB VAL 38 -10.798 5.582 2.866 318 HG11 VAL 38 1HG1 VAL 38 -11.635 3.290 2.714 319 HG12 VAL 38 2HG1 VAL 38 -12.411 4.142 4.050 320 HG13 VAL 38 3HG1 VAL 38 -11.132 2.968 4.375 321 HG21 VAL 38 1HG2 VAL 38 -9.865 4.903 5.687 322 HG22 VAL 38 2HG2 VAL 38 -11.183 6.002 5.270 323 HG23 VAL 38 3HG2 VAL 38 -9.525 6.402 4.821 324 H SER 39 H SER 39 -9.273 1.764 3.114 325 HA SER 39 HA SER 39 -8.456 1.337 5.826 326 HB2 SER 39 2HB SER 39 -8.953 -0.703 3.614 327 HB3 SER 39 1HB SER 39 -8.942 -1.020 5.351 328 HG SER 39 HG SER 39 -10.665 0.833 5.204 329 H TYR 40 H TYR 40 -6.946 0.707 2.665 330 HA TYR 40 HA TYR 40 -4.592 -0.567 3.681 331 HB2 TYR 40 2HB TYR 40 -5.385 -1.005 1.391 332 HB3 TYR 40 1HB TYR 40 -5.156 0.687 0.962 333 HD1 TYR 40 HD1 TYR 40 -3.364 0.914 -0.530 334 HD2 TYR 40 HD2 TYR 40 -2.950 -1.909 2.639 335 HE1 TYR 40 HE1 TYR 40 -1.103 0.391 -1.299 336 HE2 TYR 40 HE2 TYR 40 -0.673 -2.421 1.866 337 HH TYR 40 HH TYR 40 0.996 -0.501 -0.394 338 H LEU 41 H LEU 41 -5.391 2.721 2.585 339 HA LEU 41 HA LEU 41 -2.807 3.832 3.030 340 HB2 LEU 41 2HB LEU 41 -5.524 5.202 2.894 341 HB3 LEU 41 1HB LEU 41 -3.981 6.040 2.877 342 HG LEU 41 HG LEU 41 -5.025 4.153 0.725 343 HD11 LEU 41 1HD1 LEU 41 -4.554 7.147 0.608 344 HD12 LEU 41 2HD1 LEU 41 -6.119 6.334 0.672 345 HD13 LEU 41 3HD1 LEU 41 -5.079 6.120 -0.732 346 HD21 LEU 41 1HD2 LEU 41 -2.358 5.601 0.810 347 HD22 LEU 41 2HD2 LEU 41 -3.004 4.716 -0.574 348 HD23 LEU 41 3HD2 LEU 41 -2.614 3.856 0.912 349 H GLN 42 H GLN 42 -5.596 3.260 5.108 350 HA GLN 42 HA GLN 42 -4.807 4.804 7.362 351 HB2 GLN 42 2HB GLN 42 -7.123 3.933 7.046 352 HB3 GLN 42 1HB GLN 42 -6.539 2.290 7.273 353 HG2 GLN 42 2HG GLN 42 -7.616 3.030 9.299 354 HG3 GLN 42 1HG GLN 42 -5.888 2.886 9.606 355 HE21 GLN 42 1HE2 GLN 42 -8.546 5.118 9.198 356 HE22 GLN 42 2HE2 GLN 42 -7.750 6.499 9.859 357 H SER 43 H SER 43 -4.324 1.364 6.499 358 HA SER 43 HA SER 43 -2.883 0.658 8.837 359 HB2 SER 43 2HB SER 43 -2.190 -1.369 7.503 360 HB3 SER 43 1HB SER 43 -3.925 -1.076 7.537 361 HG SER 43 HG SER 43 -2.234 -0.249 5.414 362 H ILE 44 H ILE 44 -1.851 1.861 5.672 363 HA ILE 44 HA ILE 44 0.941 1.714 5.897 364 HB ILE 44 HB ILE 44 -0.972 3.463 4.324 365 HG12 ILE 44 2HG1 ILE 44 1.159 1.463 3.442 366 HG13 ILE 44 1HG1 ILE 44 -0.565 1.135 3.568 367 HG21 ILE 44 1HG2 ILE 44 0.810 5.050 4.794 368 HG22 ILE 44 2HG2 ILE 44 0.872 4.570 3.098 369 HG23 ILE 44 3HG2 ILE 44 2.027 3.895 4.248 370 HD11 ILE 44 1HD1 ILE 44 0.785 2.996 1.613 371 HD12 ILE 44 2HD1 ILE 44 -0.964 2.821 1.786 372 HD13 ILE 44 3HD1 ILE 44 0.011 1.446 1.274 373 H GLU 45 H GLU 45 -1.191 4.510 6.625 374 HA GLU 45 HA GLU 45 0.884 6.208 7.527 375 HB2 GLU 45 2HB GLU 45 -0.900 7.718 8.299 376 HB3 GLU 45 1HB GLU 45 -1.269 7.089 6.697 377 HG2 GLU 45 2HG GLU 45 -2.788 5.406 7.769 378 HG3 GLU 45 1HG GLU 45 -2.483 6.177 9.319 379 H THR 46 H THR 46 -1.245 3.921 9.248 380 HA THR 46 HA THR 46 -0.543 4.919 11.858 381 HB THR 46 HB THR 46 -2.763 3.828 11.337 382 HG1 THR 46 HG1 THR 46 -2.326 4.071 13.471 383 HG21 THR 46 1HG2 THR 46 -2.008 1.850 10.096 384 HG22 THR 46 2HG2 THR 46 -2.934 1.372 11.518 385 HG23 THR 46 3HG2 THR 46 -1.176 1.248 11.527 386 H VAL 47 H VAL 47 0.718 2.279 9.782 387 HA VAL 47 HA VAL 47 2.391 1.200 11.886 388 HB VAL 47 HB VAL 47 1.665 -0.059 9.713 389 HG11 VAL 47 1HG1 VAL 47 4.143 1.308 8.603 390 HG12 VAL 47 2HG1 VAL 47 2.489 1.543 8.040 391 HG13 VAL 47 3HG1 VAL 47 3.271 -0.024 7.840 392 HG21 VAL 47 1HG2 VAL 47 4.537 -0.277 10.677 393 HG22 VAL 47 2HG2 VAL 47 3.639 -1.529 9.817 394 HG23 VAL 47 3HG2 VAL 47 3.128 -1.030 11.432 395 H MET 48 H MET 48 2.676 3.703 9.457 396 HA MET 48 HA MET 48 5.501 4.165 9.832 397 HB2 MET 48 2HB MET 48 4.184 4.643 7.732 398 HB3 MET 48 1HB MET 48 3.420 5.988 8.564 399 HG2 MET 48 2HG MET 48 5.487 7.186 8.682 400 HG3 MET 48 1HG MET 48 6.413 5.770 8.178 401 HE1 MET 48 1HE MET 48 4.645 4.568 5.803 402 HE2 MET 48 2HE MET 48 6.399 4.765 5.735 403 HE3 MET 48 3HE MET 48 5.391 5.377 4.423 404 H GLU 49 H GLU 49 2.543 5.314 11.341 405 HA GLU 49 HA GLU 49 3.890 7.218 13.086 406 HB2 GLU 49 2HB GLU 49 1.062 6.079 13.136 407 HB3 GLU 49 1HB GLU 49 1.659 7.258 14.298 408 HG2 GLU 49 2HG GLU 49 1.414 7.697 11.306 409 HG3 GLU 49 1HG GLU 49 0.308 8.311 12.530 410 H LYS 50 H LYS 50 3.372 3.814 13.007 411 HA LYS 50 HA LYS 50 4.020 3.431 15.844 412 HB2 LYS 50 2HB LYS 50 2.326 1.931 14.618 413 HB3 LYS 50 1HB LYS 50 3.674 1.274 13.707 414 HG2 LYS 50 2HG LYS 50 3.356 -0.331 15.369 415 HG3 LYS 50 1HG LYS 50 4.666 0.630 16.044 416 HD2 LYS 50 2HD LYS 50 1.741 1.058 16.768 417 HD3 LYS 50 1HD LYS 50 2.792 -0.043 17.651 418 HE2 LYS 50 2HE LYS 50 4.160 1.746 18.444 419 HE3 LYS 50 1HE LYS 50 3.440 2.897 17.319 420 HZ1 LYS 50 1HZ LYS 50 1.393 2.806 18.523 421 HZ2 LYS 50 2HZ LYS 50 2.635 3.127 19.617 422 HZ3 LYS 50 3HZ LYS 50 1.963 1.580 19.532 423 H GLN 51 H GLN 51 5.992 4.722 15.310 424 HA GLN 51 HA GLN 51 8.115 3.479 13.832 425 HB2 GLN 51 2HB GLN 51 9.399 5.393 14.280 426 HB3 GLN 51 1HB GLN 51 7.769 6.014 14.184 427 HG2 GLN 51 2HG GLN 51 9.257 5.515 16.780 428 HG3 GLN 51 1HG GLN 51 9.217 7.055 15.938 429 HE21 GLN 51 1HE2 GLN 51 8.336 8.115 17.707 430 HE22 GLN 51 2HE2 GLN 51 6.703 7.882 18.231 431 H THR 52 H THR 52 9.202 1.752 14.577 432 HA THR 52 HA THR 52 9.627 1.341 17.455 433 HB THR 52 HB THR 52 10.672 -0.852 16.713 434 HG1 THR 52 HG1 THR 52 11.217 -0.172 14.569 435 HG21 THR 52 1HG2 THR 52 8.551 -1.943 16.083 436 HG22 THR 52 2HG2 THR 52 7.832 -0.372 15.733 437 HG23 THR 52 3HG2 THR 52 8.296 -0.782 17.388 438 HA PRO 53 HA PRO 53 13.716 3.234 17.314 439 HB2 PRO 53 2HB PRO 53 14.923 1.832 19.394 440 HB3 PRO 53 1HB PRO 53 13.776 3.161 19.642 441 HG2 PRO 53 2HG PRO 53 13.253 0.202 19.678 442 HG3 PRO 53 1HG PRO 53 12.706 1.451 20.823 443 HD2 PRO 53 2HD PRO 53 11.050 0.537 18.934 444 HD3 PRO 53 1HD PRO 53 11.063 2.266 19.356 445 HA PRO 54 HA PRO 54 16.522 0.991 14.606 446 HB2 PRO 54 2HB PRO 54 18.573 1.568 16.777 447 HB3 PRO 54 1HB PRO 54 18.734 1.727 15.011 448 HG2 PRO 54 2HG PRO 54 18.277 3.885 16.454 449 HG3 PRO 54 1HG PRO 54 17.404 3.653 14.920 450 HD2 PRO 54 2HD PRO 54 16.395 3.368 17.724 451 HD3 PRO 54 1HD PRO 54 15.534 3.900 16.264 452 H GLY 55 H GLY 55 17.190 0.233 18.037 453 HA2 GLY 55 2HA GLY 55 18.100 -2.433 17.625 454 HA3 GLY 55 1HA GLY 55 17.595 -1.726 19.149 455 H ILE 56 H ILE 56 16.643 -3.665 16.452 456 HA ILE 56 HA ILE 56 14.095 -4.386 17.782 457 HB ILE 56 HB ILE 56 13.669 -2.866 15.827 458 HG12 ILE 56 2HG1 ILE 56 11.999 -4.381 14.628 459 HG13 ILE 56 1HG1 ILE 56 12.647 -5.724 15.564 460 HG21 ILE 56 1HG2 ILE 56 15.555 -3.421 14.387 461 HG22 ILE 56 2HG2 ILE 56 14.040 -3.630 13.507 462 HG23 ILE 56 3HG2 ILE 56 14.908 -5.042 14.114 463 HD11 ILE 56 1HD1 ILE 56 11.328 -3.256 16.705 464 HD12 ILE 56 2HD1 ILE 56 11.936 -4.630 17.634 465 HD13 ILE 56 3HD1 ILE 56 10.586 -4.844 16.522 466 H THR 57 H THR 57 13.720 -6.637 17.857 467 HA THR 57 HA THR 57 16.052 -8.284 17.636 468 HB THR 57 HB THR 57 14.256 -8.527 19.423 469 HG1 THR 57 HG1 THR 57 15.748 -10.156 19.290 470 HG21 THR 57 1HG2 THR 57 12.244 -8.531 17.970 471 HG22 THR 57 2HG2 THR 57 12.326 -9.974 18.982 472 HG23 THR 57 3HG2 THR 57 12.761 -10.071 17.274 473 H ARG 58 H ARG 58 16.130 -10.430 16.527 474 HA ARG 58 HA ARG 58 16.081 -10.132 13.764 475 HB2 ARG 58 2HB ARG 58 16.066 -12.747 15.324 476 HB3 ARG 58 1HB ARG 58 16.460 -12.603 13.617 477 HG2 ARG 58 2HG ARG 58 18.448 -11.255 14.186 478 HG3 ARG 58 1HG ARG 58 18.050 -11.393 15.901 479 HD2 ARG 58 2HD ARG 58 18.687 -13.730 14.056 480 HD3 ARG 58 1HD ARG 58 19.811 -13.008 15.203 481 HE ARG 58 HE ARG 58 18.544 -13.904 17.004 482 HH11 ARG 58 1HH1 ARG 58 17.361 -15.052 13.872 483 HH12 ARG 58 2HH1 ARG 58 16.518 -16.406 14.565 484 HH21 ARG 58 1HH2 ARG 58 17.427 -15.692 17.875 485 HH22 ARG 58 2HH2 ARG 58 16.557 -16.765 16.823 486 H SER 59 H SER 59 13.720 -11.820 15.836 487 HA SER 59 HA SER 59 12.233 -13.096 13.842 488 HB2 SER 59 2HB SER 59 11.240 -12.136 16.558 489 HB3 SER 59 1HB SER 59 10.502 -13.395 15.566 490 HG SER 59 HG SER 59 13.035 -14.067 15.851 491 H ILE 60 H ILE 60 11.476 -10.027 15.548 492 HA ILE 60 HA ILE 60 9.191 -9.317 14.060 493 HB ILE 60 HB ILE 60 11.148 -7.417 15.439 494 HG12 ILE 60 2HG1 ILE 60 8.610 -8.674 16.581 495 HG13 ILE 60 1HG1 ILE 60 10.246 -9.187 16.978 496 HG21 ILE 60 1HG2 ILE 60 9.216 -5.851 15.565 497 HG22 ILE 60 2HG2 ILE 60 8.242 -6.988 14.638 498 HG23 ILE 60 3HG2 ILE 60 9.645 -6.226 13.894 499 HD11 ILE 60 1HD1 ILE 60 9.047 -6.482 17.562 500 HD12 ILE 60 2HD1 ILE 60 10.697 -6.981 17.942 501 HD13 ILE 60 3HD1 ILE 60 9.332 -7.784 18.716 502 H GLN 61 H GLN 61 12.572 -8.194 13.787 503 HA GLN 61 HA GLN 61 12.315 -6.426 11.656 504 HB2 GLN 61 2HB GLN 61 14.316 -6.626 13.141 505 HB3 GLN 61 1HB GLN 61 14.740 -8.139 12.352 506 HG2 GLN 61 2HG GLN 61 15.026 -6.903 10.204 507 HG3 GLN 61 1HG GLN 61 14.680 -5.396 11.050 508 HE21 GLN 61 1HE2 GLN 61 16.644 -8.098 12.282 509 HE22 GLN 61 2HE2 GLN 61 18.131 -7.222 12.326 510 H ASP 62 H ASP 62 12.735 -9.937 11.609 511 HA ASP 62 HA ASP 62 13.307 -10.192 8.805 512 HB2 ASP 62 2HB ASP 62 13.994 -11.929 10.442 513 HB3 ASP 62 1HB ASP 62 12.309 -12.285 10.799 514 H MET 63 H MET 63 10.415 -11.010 10.779 515 HA MET 63 HA MET 63 8.709 -11.762 8.691 516 HB2 MET 63 2HB MET 63 7.992 -10.573 11.407 517 HB3 MET 63 1HB MET 63 6.824 -11.309 10.316 518 HG2 MET 63 2HG MET 63 8.041 -13.458 10.498 519 HG3 MET 63 1HG MET 63 9.158 -12.714 11.636 520 HE1 MET 63 1HE MET 63 6.854 -12.023 14.736 521 HE2 MET 63 2HE MET 63 7.322 -10.891 13.468 522 HE3 MET 63 3HE MET 63 8.510 -12.015 14.132 523 H VAL 64 H VAL 64 9.057 -8.656 10.319 524 HA VAL 64 HA VAL 64 7.245 -7.105 8.874 525 HB VAL 64 HB VAL 64 9.732 -6.445 10.494 526 HG11 VAL 64 1HG1 VAL 64 9.146 -4.031 10.380 527 HG12 VAL 64 2HG1 VAL 64 7.966 -4.395 9.121 528 HG13 VAL 64 3HG1 VAL 64 9.681 -4.677 8.828 529 HG21 VAL 64 1HG2 VAL 64 7.729 -7.201 11.719 530 HG22 VAL 64 2HG2 VAL 64 6.773 -5.912 10.984 531 HG23 VAL 64 3HG2 VAL 64 8.087 -5.514 12.091 532 H ALA 65 H ALA 65 10.782 -7.593 8.298 533 HA ALA 65 HA ALA 65 10.990 -5.947 6.006 534 HB1 ALA 65 1HB ALA 65 13.090 -7.143 5.527 535 HB2 ALA 65 2HB ALA 65 12.660 -8.382 6.712 536 HB3 ALA 65 3HB ALA 65 12.963 -6.727 7.236 537 H GLY 66 H GLY 66 9.858 -9.224 6.405 538 HA2 GLY 66 2HA GLY 66 9.797 -10.040 3.674 539 HA3 GLY 66 1HA GLY 66 8.854 -10.722 4.996 540 H TYR 67 H TYR 67 7.295 -8.790 5.878 541 HA TYR 67 HA TYR 67 5.192 -8.533 4.025 542 HB2 TYR 67 2HB TYR 67 5.695 -6.944 6.573 543 HB3 TYR 67 1HB TYR 67 4.163 -7.020 5.713 544 HD1 TYR 67 HD1 TYR 67 5.281 -7.935 8.678 545 HD2 TYR 67 HD2 TYR 67 3.876 -9.937 5.165 546 HE1 TYR 67 HE1 TYR 67 4.569 -9.842 10.053 547 HE2 TYR 67 HE2 TYR 67 3.172 -11.845 6.546 548 HH TYR 67 HH TYR 67 2.986 -11.707 9.948 549 H ILE 68 H ILE 68 7.833 -6.416 4.897 550 HA ILE 68 HA ILE 68 7.055 -3.993 3.676 551 HB ILE 68 HB ILE 68 9.687 -5.169 4.621 552 HG12 ILE 68 2HG1 ILE 68 8.176 -2.632 5.374 553 HG13 ILE 68 1HG1 ILE 68 8.193 -4.134 6.284 554 HG21 ILE 68 1HG2 ILE 68 9.578 -2.584 3.043 555 HG22 ILE 68 2HG2 ILE 68 10.415 -4.065 2.581 556 HG23 ILE 68 3HG2 ILE 68 10.963 -3.146 3.981 557 HD11 ILE 68 1HD1 ILE 68 10.538 -2.285 5.853 558 HD12 ILE 68 2HD1 ILE 68 10.592 -3.818 6.727 559 HD13 ILE 68 3HD1 ILE 68 9.602 -2.492 7.333 560 H LYS 69 H LYS 69 9.307 -6.549 2.562 561 HA LYS 69 HA LYS 69 9.845 -5.514 0.025 562 HB2 LYS 69 2HB LYS 69 11.159 -7.322 1.144 563 HB3 LYS 69 1HB LYS 69 9.833 -8.446 0.863 564 HG2 LYS 69 2HG LYS 69 10.133 -8.131 -1.601 565 HG3 LYS 69 1HG LYS 69 11.510 -7.077 -1.276 566 HD2 LYS 69 2HD LYS 69 11.305 -10.021 -0.519 567 HD3 LYS 69 1HD LYS 69 12.238 -9.366 -1.866 568 HE2 LYS 69 2HE LYS 69 13.696 -8.164 -0.304 569 HE3 LYS 69 1HE LYS 69 12.731 -8.726 1.062 570 HZ1 LYS 69 1HZ LYS 69 13.334 -11.030 0.377 571 HZ2 LYS 69 2HZ LYS 69 14.638 -10.090 0.904 572 HZ3 LYS 69 3HZ LYS 69 14.413 -10.365 -0.747 573 H GLN 70 H GLN 70 7.400 -7.865 1.097 574 HA GLN 70 HA GLN 70 6.226 -8.516 -1.343 575 HB2 GLN 70 2HB GLN 70 5.051 -8.412 1.458 576 HB3 GLN 70 1HB GLN 70 4.116 -8.970 0.075 577 HG2 GLN 70 2HG GLN 70 6.672 -10.222 1.119 578 HG3 GLN 70 1HG GLN 70 5.038 -10.851 1.331 579 HE21 GLN 70 1HE2 GLN 70 7.405 -12.057 0.024 580 HE22 GLN 70 2HE2 GLN 70 6.894 -12.457 -1.576 581 H THR 71 H THR 71 5.207 -5.977 0.998 582 HA THR 71 HA THR 71 3.003 -5.169 -0.606 583 HB THR 71 HB THR 71 3.090 -4.844 1.874 584 HG1 THR 71 HG1 THR 71 2.519 -2.603 0.199 585 HG21 THR 71 1HG2 THR 71 5.368 -3.907 2.126 586 HG22 THR 71 2HG2 THR 71 4.147 -2.835 2.815 587 HG23 THR 71 3HG2 THR 71 4.868 -2.457 1.250 588 H LEU 72 H LEU 72 6.364 -4.176 -0.547 589 HA LEU 72 HA LEU 72 6.010 -1.772 -2.103 590 HB2 LEU 72 2HB LEU 72 8.441 -3.461 -1.435 591 HB3 LEU 72 1HB LEU 72 8.543 -2.001 -2.401 592 HG LEU 72 HG LEU 72 7.491 -2.037 0.453 593 HD11 LEU 72 1HD1 LEU 72 9.665 -1.140 1.143 594 HD12 LEU 72 2HD1 LEU 72 10.282 -1.323 -0.499 595 HD13 LEU 72 3HD1 LEU 72 9.831 -2.746 0.440 596 HD21 LEU 72 1HD2 LEU 72 6.673 -0.136 -0.853 597 HD22 LEU 72 2HD2 LEU 72 8.320 0.276 -1.339 598 HD23 LEU 72 3HD2 LEU 72 7.839 0.409 0.354 599 H ASP 73 H ASP 73 6.702 -5.171 -2.875 600 HA ASP 73 HA ASP 73 7.129 -4.778 -5.698 601 HB2 ASP 73 2HB ASP 73 6.378 -7.270 -4.103 602 HB3 ASP 73 1HB ASP 73 6.720 -7.296 -5.828 603 H ASN 74 H ASN 74 4.375 -5.722 -3.701 604 HA ASN 74 HA ASN 74 2.504 -6.097 -5.823 605 HB2 ASN 74 2HB ASN 74 2.184 -5.858 -2.803 606 HB3 ASN 74 1HB ASN 74 0.790 -6.008 -3.863 607 HD21 ASN 74 1HD2 ASN 74 3.273 -7.712 -2.249 608 HD22 ASN 74 2HD2 ASN 74 2.915 -9.281 -2.857 609 H GLU 75 H GLU 75 3.492 -3.339 -3.851 610 HA GLU 75 HA GLU 75 1.376 -1.603 -4.792 611 HB2 GLU 75 2HB GLU 75 2.477 -1.145 -2.631 612 HB3 GLU 75 1HB GLU 75 4.018 -0.896 -3.445 613 HG2 GLU 75 2HG GLU 75 3.017 1.046 -4.657 614 HG3 GLU 75 1HG GLU 75 1.529 0.817 -3.741 615 H GLN 76 H GLN 76 4.772 -2.253 -5.726 616 HA GLN 76 HA GLN 76 5.062 -0.312 -7.737 617 HB2 GLN 76 2HB GLN 76 6.939 -1.728 -7.018 618 HB3 GLN 76 1HB GLN 76 6.141 -3.161 -7.653 619 HG2 GLN 76 2HG GLN 76 6.303 -2.125 -9.958 620 HG3 GLN 76 1HG GLN 76 7.281 -0.845 -9.246 621 HE21 GLN 76 1HE2 GLN 76 7.458 -4.257 -8.314 622 HE22 GLN 76 2HE2 GLN 76 9.048 -4.523 -8.927 623 H LEU 77 H LEU 77 3.657 -3.543 -7.826 624 HA LEU 77 HA LEU 77 2.811 -3.500 -10.552 625 HB2 LEU 77 2HB LEU 77 2.156 -5.259 -8.175 626 HB3 LEU 77 1HB LEU 77 1.422 -5.519 -9.748 627 HG LEU 77 HG LEU 77 4.431 -5.588 -9.277 628 HD11 LEU 77 1HD1 LEU 77 3.363 -7.399 -8.012 629 HD12 LEU 77 2HD1 LEU 77 4.271 -8.037 -9.379 630 HD13 LEU 77 3HD1 LEU 77 2.509 -7.935 -9.461 631 HD21 LEU 77 1HD2 LEU 77 3.800 -5.053 -11.582 632 HD22 LEU 77 2HD2 LEU 77 2.744 -6.467 -11.649 633 HD23 LEU 77 3HD2 LEU 77 4.493 -6.673 -11.493 634 H LEU 78 H LEU 78 1.195 -2.652 -7.464 635 HA LEU 78 HA LEU 78 -1.441 -2.295 -8.537 636 HB2 LEU 78 2HB LEU 78 -0.069 -1.715 -5.946 637 HB3 LEU 78 1HB LEU 78 -1.373 -0.602 -6.304 638 HG LEU 78 HG LEU 78 -1.695 -3.625 -6.165 639 HD11 LEU 78 1HD1 LEU 78 -2.803 -3.256 -4.015 640 HD12 LEU 78 2HD1 LEU 78 -2.469 -1.523 -4.109 641 HD13 LEU 78 3HD1 LEU 78 -1.139 -2.675 -3.962 642 HD21 LEU 78 1HD2 LEU 78 -3.777 -1.417 -6.391 643 HD22 LEU 78 2HD2 LEU 78 -4.112 -3.140 -6.197 644 HD23 LEU 78 3HD2 LEU 78 -3.330 -2.560 -7.665 645 H LYS 79 H LYS 79 0.801 0.146 -7.333 646 HA LYS 79 HA LYS 79 -0.255 2.450 -8.376 647 HB2 LYS 79 2HB LYS 79 1.407 2.344 -6.581 648 HB3 LYS 79 1HB LYS 79 2.620 1.738 -7.691 649 HG2 LYS 79 2HG LYS 79 2.773 3.897 -8.790 650 HG3 LYS 79 1HG LYS 79 1.399 4.511 -7.863 651 HD2 LYS 79 2HD LYS 79 3.584 5.319 -6.948 652 HD3 LYS 79 1HD LYS 79 2.684 4.363 -5.771 653 HE2 LYS 79 2HE LYS 79 4.118 2.377 -6.396 654 HE3 LYS 79 1HE LYS 79 5.073 3.448 -7.420 655 HZ1 LYS 79 1HZ LYS 79 5.597 4.766 -5.420 656 HZ2 LYS 79 2HZ LYS 79 6.142 3.169 -5.300 657 HZ3 LYS 79 3HZ LYS 79 4.753 3.647 -4.464 658 H GLY 80 H GLY 80 2.045 0.200 -9.876 659 HA2 GLY 80 2HA GLY 80 2.595 1.665 -12.241 660 HA3 GLY 80 1HA GLY 80 2.785 -0.067 -12.030 661 H LEU 81 H LEU 81 0.279 -0.995 -11.641 662 HA LEU 81 HA LEU 81 -0.807 -1.176 -14.246 663 HB2 LEU 81 2HB LEU 81 -0.958 -2.939 -12.536 664 HB3 LEU 81 1HB LEU 81 -1.985 -1.939 -11.536 665 HG LEU 81 HG LEU 81 -2.943 -2.773 -14.301 666 HD11 LEU 81 1HD1 LEU 81 -2.196 -4.852 -13.248 667 HD12 LEU 81 2HD1 LEU 81 -3.955 -4.804 -13.354 668 HD13 LEU 81 3HD1 LEU 81 -3.156 -4.496 -11.809 669 HD21 LEU 81 1HD2 LEU 81 -5.187 -2.671 -13.224 670 HD22 LEU 81 2HD2 LEU 81 -4.333 -1.133 -13.132 671 HD23 LEU 81 3HD2 LEU 81 -4.422 -2.170 -11.709 672 H LEU 82 H LEU 82 -2.004 0.376 -11.331 673 HA LEU 82 HA LEU 82 -4.349 1.500 -12.336 674 HB2 LEU 82 2HB LEU 82 -2.639 2.052 -9.900 675 HB3 LEU 82 1HB LEU 82 -4.092 2.992 -10.210 676 HG LEU 82 HG LEU 82 -4.164 -0.049 -10.040 677 HD11 LEU 82 1HD1 LEU 82 -3.274 0.773 -7.907 678 HD12 LEU 82 2HD1 LEU 82 -4.902 0.131 -7.719 679 HD13 LEU 82 3HD1 LEU 82 -4.641 1.879 -7.745 680 HD21 LEU 82 1HD2 LEU 82 -6.304 2.088 -9.812 681 HD22 LEU 82 2HD2 LEU 82 -6.560 0.357 -9.575 682 HD23 LEU 82 3HD2 LEU 82 -6.065 0.960 -11.152 683 H GLN 83 H GLN 83 -1.030 2.882 -12.069 684 HA GLN 83 HA GLN 83 -1.747 5.478 -12.967 685 HB2 GLN 83 2HB GLN 83 0.453 5.028 -11.915 686 HB3 GLN 83 1HB GLN 83 0.934 4.071 -13.313 687 HG2 GLN 83 2HG GLN 83 1.932 6.325 -13.363 688 HG3 GLN 83 1HG GLN 83 0.863 6.069 -14.742 689 HE21 GLN 83 1HE2 GLN 83 -1.009 7.338 -14.925 690 HE22 GLN 83 2HE2 GLN 83 -1.327 8.689 -13.896 691 H GLN 84 H GLN 84 -0.598 2.584 -14.720 692 HA GLN 84 HA GLN 84 -0.527 3.720 -17.306 693 HB2 GLN 84 2HB GLN 84 0.597 1.579 -16.663 694 HB3 GLN 84 1HB GLN 84 -0.977 0.803 -16.535 695 HG2 GLN 84 2HG GLN 84 0.128 0.222 -18.648 696 HG3 GLN 84 1HG GLN 84 -1.356 1.130 -18.944 697 HE21 GLN 84 1HE2 GLN 84 -1.191 3.276 -19.734 698 HE22 GLN 84 2HE2 GLN 84 0.268 3.884 -20.432 699 H ARG 85 H ARG 85 -3.104 2.259 -15.451 700 HA ARG 85 HA ARG 85 -4.991 2.014 -17.608 701 HB2 ARG 85 2HB ARG 85 -4.834 0.486 -15.579 702 HB3 ARG 85 1HB ARG 85 -5.477 1.790 -14.601 703 HG2 ARG 85 2HG ARG 85 -7.068 0.890 -16.989 704 HG3 ARG 85 1HG ARG 85 -7.027 -0.160 -15.577 705 HD2 ARG 85 2HD ARG 85 -7.999 1.566 -14.186 706 HD3 ARG 85 1HD ARG 85 -7.873 2.756 -15.489 707 HE ARG 85 HE ARG 85 -9.378 0.797 -16.592 708 HH11 ARG 85 1HH1 ARG 85 -9.770 2.590 -13.582 709 HH12 ARG 85 2HH1 ARG 85 -11.500 2.471 -13.607 710 HH21 ARG 85 1HH2 ARG 85 -11.614 0.683 -16.619 711 HH22 ARG 85 2HH2 ARG 85 -12.543 1.384 -15.338 712 H LEU 86 H LEU 86 -4.248 4.364 -15.057 713 HA LEU 86 HA LEU 86 -6.485 6.116 -15.603 714 HB2 LEU 86 2HB LEU 86 -3.887 6.545 -14.082 715 HB3 LEU 86 1HB LEU 86 -5.085 7.815 -14.277 716 HG LEU 86 HG LEU 86 -5.597 5.170 -12.862 717 HD11 LEU 86 1HD1 LEU 86 -5.126 7.901 -11.625 718 HD12 LEU 86 2HD1 LEU 86 -3.955 6.581 -11.674 719 HD13 LEU 86 3HD1 LEU 86 -5.453 6.386 -10.778 720 HD21 LEU 86 1HD2 LEU 86 -7.338 7.656 -13.038 721 HD22 LEU 86 2HD2 LEU 86 -7.670 6.227 -12.054 722 HD23 LEU 86 3HD2 LEU 86 -7.651 6.098 -13.810 723 H ASP 87 H ASP 87 -3.180 5.764 -16.799 724 HA ASP 87 HA ASP 87 -2.946 8.158 -18.281 725 HB2 ASP 87 2HB ASP 87 -1.817 5.397 -18.983 726 HB3 ASP 87 1HB ASP 87 -1.360 6.890 -19.789 727 H GLU 88 H GLU 88 -4.206 4.945 -19.017 728 HA GLU 88 HA GLU 88 -5.007 5.351 -21.668 729 HB2 GLU 88 2HB GLU 88 -4.759 3.124 -20.588 730 HB3 GLU 88 1HB GLU 88 -6.198 3.435 -19.620 731 HG2 GLU 88 2HG GLU 88 -7.601 3.449 -21.606 732 HG3 GLU 88 1HG GLU 88 -6.190 3.342 -22.658 733 H LEU 89 H LEU 89 -7.076 5.312 -18.723 734 HA LEU 89 HA LEU 89 -9.509 6.071 -19.785 735 HB2 LEU 89 2HB LEU 89 -8.335 6.839 -17.086 736 HB3 LEU 89 1HB LEU 89 -10.029 7.046 -17.505 737 HG LEU 89 HG LEU 89 -8.613 4.361 -17.376 738 HD11 LEU 89 1HD1 LEU 89 -9.835 4.024 -15.264 739 HD12 LEU 89 2HD1 LEU 89 -10.420 5.686 -15.329 740 HD13 LEU 89 3HD1 LEU 89 -8.691 5.357 -15.165 741 HD21 LEU 89 1HD2 LEU 89 -10.882 3.400 -17.477 742 HD22 LEU 89 2HD2 LEU 89 -10.508 4.333 -18.925 743 HD23 LEU 89 3HD2 LEU 89 -11.565 5.016 -17.685 744 H SER 90 H SER 90 -7.026 8.243 -18.445 745 HA SER 90 HA SER 90 -8.478 10.648 -18.929 746 HB2 SER 90 2HB SER 90 -5.534 10.200 -18.291 747 HB3 SER 90 1HB SER 90 -6.360 11.758 -18.234 748 HG SER 90 HG SER 90 -6.311 9.768 -16.396 749 H SER 91 H SER 91 -6.227 8.760 -20.878 750 HA SER 91 HA SER 91 -5.843 10.736 -22.941 751 HB2 SER 91 2HB SER 91 -4.248 8.882 -22.651 752 HB3 SER 91 1HB SER 91 -5.506 7.703 -23.021 753 HG SER 91 HG SER 91 -4.757 9.760 -24.833 754 H LEU 92 H LEU 92 -8.180 8.101 -22.396 755 HA LEU 92 HA LEU 92 -9.331 8.117 -25.027 756 HB2 LEU 92 2HB LEU 92 -10.624 7.064 -22.466 757 HB3 LEU 92 1HB LEU 92 -11.057 6.637 -24.112 758 HG LEU 92 HG LEU 92 -8.585 5.809 -22.577 759 HD11 LEU 92 1HD1 LEU 92 -10.544 4.506 -22.043 760 HD12 LEU 92 2HD1 LEU 92 -9.380 3.525 -22.928 761 HD13 LEU 92 3HD1 LEU 92 -10.815 4.147 -23.749 762 HD21 LEU 92 1HD2 LEU 92 -7.821 4.568 -24.551 763 HD22 LEU 92 2HD2 LEU 92 -7.820 6.308 -24.817 764 HD23 LEU 92 3HD2 LEU 92 -9.101 5.312 -25.515 765 H ILE 93 H ILE 93 -10.115 9.578 -21.942 766 HA ILE 93 HA ILE 93 -12.606 10.790 -22.816 767 HB ILE 93 HB ILE 93 -11.085 11.006 -20.169 768 HG12 ILE 93 2HG1 ILE 93 -13.557 9.317 -20.803 769 HG13 ILE 93 1HG1 ILE 93 -11.917 8.683 -20.793 770 HG21 ILE 93 1HG2 ILE 93 -13.192 11.887 -19.206 771 HG22 ILE 93 2HG2 ILE 93 -13.936 11.868 -20.805 772 HG23 ILE 93 3HG2 ILE 93 -12.576 12.944 -20.479 773 HD11 ILE 93 1HD1 ILE 93 -13.397 9.815 -18.425 774 HD12 ILE 93 2HD1 ILE 93 -11.729 9.238 -18.409 775 HD13 ILE 93 3HD1 ILE 93 -13.046 8.119 -18.752 776 H GLY 94 H GLY 94 -9.317 11.893 -21.819 777 HA2 GLY 94 2HA GLY 94 -9.913 14.595 -22.945 778 HA3 GLY 94 1HA GLY 94 -9.039 14.357 -21.437 779 H GLN 95 H GLN 95 -6.884 14.354 -21.562 780 HA GLN 95 HA GLN 95 -5.382 13.512 -23.885 781 HB2 GLN 95 2HB GLN 95 -4.262 15.731 -24.234 782 HB3 GLN 95 1HB GLN 95 -5.966 15.729 -24.665 783 HG2 GLN 95 2HG GLN 95 -6.534 16.900 -22.594 784 HG3 GLN 95 1HG GLN 95 -4.850 16.832 -22.069 785 HE21 GLN 95 1HE2 GLN 95 -3.336 18.214 -23.053 786 HE22 GLN 95 2HE2 GLN 95 -3.802 19.559 -24.036 787 H VAL 96 H VAL 96 -5.516 14.573 -20.576 788 HA VAL 96 HA VAL 96 -2.709 14.491 -20.006 789 HB VAL 96 HB VAL 96 -3.366 14.595 -17.622 790 HG11 VAL 96 1HG1 VAL 96 -4.964 16.511 -19.361 791 HG12 VAL 96 2HG1 VAL 96 -3.277 16.694 -18.879 792 HG13 VAL 96 3HG1 VAL 96 -4.551 16.768 -17.662 793 HG21 VAL 96 1HG2 VAL 96 -5.317 13.129 -17.604 794 HG22 VAL 96 2HG2 VAL 96 -6.228 14.260 -18.602 795 HG23 VAL 96 3HG2 VAL 96 -5.769 14.707 -16.956 796 H LEU 97 H LEU 97 -1.854 12.931 -18.248 797 HA LEU 97 HA LEU 97 -2.819 10.161 -18.570 798 HB2 LEU 97 2HB LEU 97 0.117 10.942 -18.940 799 HB3 LEU 97 1HB LEU 97 -0.524 9.314 -18.923 800 HG LEU 97 HG LEU 97 -1.920 10.178 -21.042 801 HD11 LEU 97 1HD1 LEU 97 -1.205 12.509 -20.950 802 HD12 LEU 97 2HD1 LEU 97 -0.663 11.751 -22.444 803 HD13 LEU 97 3HD1 LEU 97 0.484 12.025 -21.130 804 HD21 LEU 97 1HD2 LEU 97 -0.175 9.290 -22.523 805 HD22 LEU 97 2HD2 LEU 97 -0.355 8.298 -21.077 806 HD23 LEU 97 3HD2 LEU 97 1.009 9.409 -21.216 807 H PHE 98 H PHE 98 -0.061 11.906 -17.128 808 HA PHE 98 HA PHE 98 -0.533 10.582 -14.516 809 HB2 PHE 98 2HB PHE 98 1.938 10.777 -14.146 810 HB3 PHE 98 1HB PHE 98 1.536 9.756 -15.518 811 HD1 PHE 98 HD1 PHE 98 3.327 12.748 -14.442 812 HD2 PHE 98 HD2 PHE 98 1.866 10.650 -17.877 813 HE1 PHE 98 HE1 PHE 98 4.825 14.058 -15.890 814 HE2 PHE 98 HE2 PHE 98 3.368 11.966 -19.314 815 HZ PHE 98 HZ PHE 98 4.847 13.669 -18.324 816 H GLN 99 H GLN 99 0.093 11.841 -12.628 817 HA GLN 99 HA GLN 99 -1.333 14.257 -12.561 818 HB2 GLN 99 2HB GLN 99 0.615 13.160 -10.499 819 HB3 GLN 99 1HB GLN 99 -0.579 14.422 -10.202 820 HG2 GLN 99 2HG GLN 99 -2.398 12.857 -10.552 821 HG3 GLN 99 1HG GLN 99 -1.266 11.589 -11.024 822 HE21 GLN 99 1HE2 GLN 99 -0.005 10.576 -9.420 823 HE22 GLN 99 2HE2 GLN 99 -0.385 10.708 -7.739 824 H GLY 100 H GLY 100 -0.743 16.277 -13.096 825 HA2 GLY 100 2HA GLY 100 1.960 17.216 -13.325 826 HA3 GLY 100 1HA GLY 100 0.499 18.198 -13.347 827 HA PRO 101 HA PRO 101 3.090 18.217 -9.134 828 HB2 PRO 101 2HB PRO 101 4.083 20.841 -9.369 829 HB3 PRO 101 1HB PRO 101 4.987 19.369 -9.756 830 HG2 PRO 101 2HG PRO 101 3.504 21.201 -11.607 831 HG3 PRO 101 1HG PRO 101 5.083 20.413 -11.830 832 HD2 PRO 101 2HD PRO 101 2.902 19.440 -13.043 833 HD3 PRO 101 1HD PRO 101 4.123 18.336 -12.364 834 H SER 102 H SER 102 1.171 18.163 -8.107 835 HA SER 102 HA SER 102 -0.774 18.634 -7.121 836 HB2 SER 102 2HB SER 102 -0.890 20.699 -5.744 837 HB3 SER 102 1HB SER 102 0.652 19.865 -5.582 838 HG SER 102 HG SER 102 0.374 21.960 -7.446 839 H ALA 103 H ALA 103 -0.505 19.383 -10.025 840 HA ALA 103 HA ALA 103 -2.670 21.287 -10.454 841 HB1 ALA 103 1HB ALA 103 -2.294 20.797 -12.847 842 HB2 ALA 103 2HB ALA 103 -1.156 19.517 -12.414 843 HB3 ALA 103 3HB ALA 103 -0.779 21.197 -12.035 844 H GLY 104 H GLY 104 -2.206 17.878 -10.026 845 HA2 GLY 104 2HA GLY 104 -3.632 16.081 -9.957 846 HA3 GLY 104 1HA GLY 104 -4.983 17.195 -10.111 847 H LEU 105 H LEU 105 -5.950 15.587 -11.530 848 HA LEU 105 HA LEU 105 -5.150 15.999 -14.348 849 HB2 LEU 105 2HB LEU 105 -6.104 13.356 -13.152 850 HB3 LEU 105 1HB LEU 105 -5.944 13.662 -14.874 851 HG LEU 105 HG LEU 105 -3.660 13.599 -12.865 852 HD11 LEU 105 1HD1 LEU 105 -4.577 11.371 -13.333 853 HD12 LEU 105 2HD1 LEU 105 -2.956 11.548 -13.996 854 HD13 LEU 105 3HD1 LEU 105 -4.359 11.628 -15.067 855 HD21 LEU 105 1HD2 LEU 105 -3.260 15.237 -14.669 856 HD22 LEU 105 2HD2 LEU 105 -3.529 13.974 -15.872 857 HD23 LEU 105 3HD2 LEU 105 -2.168 13.864 -14.766 858 H VAL 106 H VAL 106 -7.831 14.100 -12.998 859 HA VAL 106 HA VAL 106 -9.784 16.141 -13.880 860 HB VAL 106 HB VAL 106 -10.221 13.136 -13.486 861 HG11 VAL 106 1HG1 VAL 106 -12.452 13.497 -14.482 862 HG12 VAL 106 2HG1 VAL 106 -12.143 15.233 -14.571 863 HG13 VAL 106 3HG1 VAL 106 -12.255 14.437 -13.001 864 HG21 VAL 106 1HG2 VAL 106 -10.428 12.971 -15.937 865 HG22 VAL 106 2HG2 VAL 106 -8.834 13.575 -15.483 866 HG23 VAL 106 3HG2 VAL 106 -10.055 14.690 -16.100 867 HA PRO 107 HA PRO 107 -10.041 16.425 -9.279 868 HB2 PRO 107 2HB PRO 107 -11.720 18.829 -9.899 869 HB3 PRO 107 1HB PRO 107 -10.234 18.710 -8.932 870 HG2 PRO 107 2HG PRO 107 -10.220 19.890 -11.336 871 HG3 PRO 107 1HG PRO 107 -8.838 18.914 -10.781 872 HD2 PRO 107 2HD PRO 107 -11.060 18.127 -12.674 873 HD3 PRO 107 1HD PRO 107 -9.307 17.857 -12.818 874 H ARG 108 H ARG 108 -11.794 16.315 -7.757 875 HA ARG 108 HA ARG 108 -14.029 14.740 -8.615 876 HB2 ARG 108 2HB ARG 108 -14.632 14.695 -6.205 877 HB3 ARG 108 1HB ARG 108 -12.936 14.304 -6.459 878 HG2 ARG 108 2HG ARG 108 -12.279 16.566 -5.774 879 HG3 ARG 108 1HG ARG 108 -13.970 17.017 -5.572 880 HD2 ARG 108 2HD ARG 108 -14.166 15.283 -3.771 881 HD3 ARG 108 1HD ARG 108 -12.432 14.966 -3.940 882 HE ARG 108 HE ARG 108 -12.543 17.648 -3.541 883 HH11 ARG 108 1HH1 ARG 108 -13.801 14.947 -1.659 884 HH12 ARG 108 2HH1 ARG 108 -13.697 15.809 -0.159 885 HH21 ARG 108 1HH2 ARG 108 -12.475 18.765 -1.579 886 HH22 ARG 108 2HH2 ARG 108 -12.951 17.962 -0.112 887 H GLY 109 H GLY 109 -16.285 15.240 -8.125 888 HA2 GLY 109 2HA GLY 109 -17.319 17.725 -7.366 889 HA3 GLY 109 1HA GLY 109 -17.180 17.733 -9.125 890 H SER 110 H SER 110 -18.095 15.757 -10.234 891 HA SER 110 HA SER 110 -20.355 14.474 -8.865 892 HB2 SER 110 2HB SER 110 -20.660 15.974 -11.513 893 HB3 SER 110 1HB SER 110 -21.920 15.035 -10.705 894 HG SER 110 HG SER 110 -21.102 16.708 -8.904 895 H GLY 111 H GLY 111 -21.031 12.535 -9.835 896 HA2 GLY 111 2HA GLY 111 -21.031 10.697 -11.200 897 HA3 GLY 111 1HA GLY 111 -19.992 11.548 -12.327 898 H GLY 112 H GLY 112 -19.832 8.800 -11.574 899 HA2 GLY 112 2HA GLY 112 -17.747 8.294 -9.689 900 HA3 GLY 112 1HA GLY 112 -18.375 7.168 -10.879 901 H ILE 113 H ILE 113 -17.642 9.416 -12.947 902 HA ILE 113 HA ILE 113 -15.089 8.482 -13.735 903 HB ILE 113 HB ILE 113 -16.509 9.414 -15.433 904 HG12 ILE 113 2HG1 ILE 113 -14.157 11.314 -15.006 905 HG13 ILE 113 1HG1 ILE 113 -14.112 9.777 -15.863 906 HG21 ILE 113 1HG2 ILE 113 -17.863 10.947 -14.073 907 HG22 ILE 113 2HG2 ILE 113 -17.295 11.737 -15.544 908 HG23 ILE 113 3HG2 ILE 113 -16.518 12.086 -13.997 909 HD11 ILE 113 1HD1 ILE 113 -14.121 11.594 -17.426 910 HD12 ILE 113 2HD1 ILE 113 -15.584 12.267 -16.712 911 HD13 ILE 113 3HD1 ILE 113 -15.646 10.717 -17.558 912 H GLU 114 H GLU 114 -16.034 11.604 -12.248 913 HA GLU 114 HA GLU 114 -13.366 12.609 -12.035 914 HB2 GLU 114 2HB GLU 114 -15.948 13.596 -10.735 915 HB3 GLU 114 1HB GLU 114 -14.442 14.504 -10.839 916 HG2 GLU 114 2HG GLU 114 -14.633 14.366 -13.359 917 HG3 GLU 114 1HG GLU 114 -16.234 13.669 -13.141 918 H GLY 115 H GLY 115 -15.640 10.992 -9.907 919 HA2 GLY 115 2HA GLY 115 -14.289 11.152 -7.452 920 HA3 GLY 115 1HA GLY 115 -15.391 9.871 -7.939 921 H MET1001 H MET 1 -14.296 8.464 -9.808 922 HA MET1001 HA MET 1 -12.410 6.801 -8.620 923 HB2 MET1001 2HB MET 1 -13.847 6.024 -10.423 924 HB3 MET1001 1HB MET 1 -13.141 7.168 -11.549 925 HG2 MET1001 2HG MET 1 -10.970 5.913 -11.363 926 HG3 MET1001 1HG MET 1 -11.807 4.716 -10.374 927 HE1 MET1001 1HE MET 1 -13.063 5.576 -14.753 928 HE2 MET1001 2HE MET 1 -11.821 6.515 -13.925 929 HE3 MET1001 3HE MET 1 -13.504 6.614 -13.396 930 H THR1002 H THR 2 -11.894 9.409 -11.011 931 HA THR1002 HA THR 2 -9.126 8.918 -11.398 932 HB THR1002 HB THR 2 -9.099 11.291 -12.348 933 HG1 THR1002 HG1 THR 2 -10.721 12.433 -11.560 934 HG21 THR1002 1HG2 THR 2 -9.510 9.329 -13.812 935 HG22 THR1002 2HG2 THR 2 -10.462 10.722 -14.331 936 HG23 THR1002 3HG2 THR 2 -11.234 9.411 -13.439 937 H THR1003 H THR 3 -10.778 11.451 -9.386 938 HA THR1003 HA THR 3 -8.467 12.623 -8.298 939 HB THR1003 HB THR 3 -11.244 12.377 -7.065 940 HG1 THR1003 HG1 THR 3 -10.960 13.477 -9.135 941 HG21 THR1003 1HG2 THR 3 -9.648 12.993 -5.286 942 HG22 THR1003 2HG2 THR 3 -10.647 14.384 -5.712 943 HG23 THR1003 3HG2 THR 3 -8.986 14.277 -6.300 944 H ARG1004 H ARG 4 -10.461 9.976 -7.063 945 HA ARG1004 HA ARG 4 -9.221 9.419 -4.642 946 HB2 ARG1004 2HB ARG 4 -10.714 7.659 -6.605 947 HB3 ARG1004 1HB ARG 4 -10.086 7.013 -5.095 948 HG2 ARG1004 2HG ARG 4 -11.488 8.593 -3.828 949 HG3 ARG1004 1HG ARG 4 -12.133 9.239 -5.341 950 HD2 ARG1004 2HD ARG 4 -13.217 7.177 -5.868 951 HD3 ARG1004 1HD ARG 4 -12.334 6.297 -4.622 952 HE ARG1004 HE ARG 4 -14.593 8.131 -4.217 953 HH11 ARG1004 1HH1 ARG 4 -12.306 5.837 -2.820 954 HH12 ARG1004 2HH1 ARG 4 -13.217 5.653 -1.351 955 HH21 ARG1004 1HH2 ARG 4 -15.772 7.862 -2.296 956 HH22 ARG1004 2HH2 ARG 4 -15.175 6.802 -1.060 957 H LEU1005 H LEU 5 -8.719 7.680 -7.749 958 HA LEU1005 HA LEU 5 -6.642 6.042 -6.789 959 HB2 LEU1005 2HB LEU 5 -7.612 6.698 -9.582 960 HB3 LEU1005 1HB LEU 5 -6.192 5.695 -9.352 961 HG LEU1005 HG LEU 5 -8.980 5.035 -8.330 962 HD11 LEU1005 1HD1 LEU 5 -8.830 4.860 -10.772 963 HD12 LEU1005 2HD1 LEU 5 -8.997 3.270 -10.035 964 HD13 LEU1005 3HD1 LEU 5 -7.421 3.805 -10.629 965 HD21 LEU1005 1HD2 LEU 5 -7.257 4.134 -6.836 966 HD22 LEU1005 2HD2 LEU 5 -6.432 3.381 -8.202 967 HD23 LEU1005 3HD2 LEU 5 -8.043 2.836 -7.730 968 H THR1006 H THR 6 -6.484 9.132 -8.604 969 HA THR1006 HA THR 6 -3.694 9.149 -9.057 970 HB THR1006 HB THR 6 -3.916 11.666 -9.261 971 HG1 THR1006 HG1 THR 6 -6.517 11.078 -8.322 972 HG21 THR1006 1HG2 THR 6 -5.364 11.649 -11.253 973 HG22 THR1006 2HG2 THR 6 -6.001 10.070 -10.788 974 HG23 THR1006 3HG2 THR 6 -4.301 10.240 -11.232 975 H ARG1007 H ARG 7 -5.579 10.715 -6.424 976 HA ARG1007 HA ARG 7 -3.325 11.612 -4.932 977 HB2 ARG1007 2HB ARG 7 -5.577 12.595 -4.702 978 HB3 ARG1007 1HB ARG 7 -6.188 11.081 -4.045 979 HG2 ARG1007 2HG ARG 7 -4.682 11.346 -2.085 980 HG3 ARG1007 1HG ARG 7 -4.124 12.889 -2.740 981 HD2 ARG1007 2HD ARG 7 -6.419 13.781 -2.588 982 HD3 ARG1007 1HD ARG 7 -6.981 12.234 -1.944 983 HE ARG1007 HE ARG 7 -5.288 12.700 -0.084 984 HH11 ARG1007 1HH1 ARG 7 -7.090 15.248 -1.720 985 HH12 ARG1007 2HH1 ARG 7 -7.048 16.316 -0.348 986 HH21 ARG1007 1HH2 ARG 7 -5.256 14.103 1.704 987 HH22 ARG1007 2HH2 ARG 7 -6.009 15.663 1.586 988 H TRP1008 H TRP 8 -5.014 8.575 -5.098 989 HA TRP1008 HA TRP 8 -3.947 7.377 -2.726 990 HB2 TRP1008 2HB TRP 8 -5.802 6.149 -3.276 991 HB3 TRP1008 1HB TRP 8 -5.720 6.582 -4.970 992 HD1 TRP1008 HD1 TRP 8 -4.070 4.964 -6.519 993 HE1 TRP1008 HE1 TRP 8 -3.685 2.450 -6.355 994 HE3 TRP1008 HE3 TRP 8 -5.650 4.176 -1.711 995 HZ2 TRP1008 HZ2 TRP 8 -4.033 0.380 -4.515 996 HZ3 TRP1008 HZ3 TRP 8 -5.614 1.870 -0.839 997 HH2 TRP1008 HH2 TRP 8 -4.817 0.018 -2.215 998 H LEU1009 H LEU 9 -2.852 7.661 -6.096 999 HA LEU1009 HA LEU 9 -0.687 5.742 -5.875 1000 HB2 LEU1009 2HB LEU 9 -1.102 7.966 -7.926 1001 HB3 LEU1009 1HB LEU 9 0.115 6.706 -8.039 1002 HG LEU1009 HG LEU 9 -2.891 6.335 -8.256 1003 HD11 LEU1009 1HD1 LEU 9 -0.722 6.038 -10.342 1004 HD12 LEU1009 2HD1 LEU 9 -1.928 7.323 -10.248 1005 HD13 LEU1009 3HD1 LEU 9 -2.436 5.668 -10.569 1006 HD21 LEU1009 1HD2 LEU 9 -2.470 3.976 -8.730 1007 HD22 LEU1009 2HD2 LEU 9 -1.933 4.407 -7.108 1008 HD23 LEU1009 3HD2 LEU 9 -0.748 4.207 -8.400 1009 H THR1010 H THR 10 -1.174 9.166 -5.472 1010 HA THR1010 HA THR 10 1.477 10.021 -5.009 1011 HB THR1010 HB THR 10 -1.202 11.093 -4.016 1012 HG1 THR1010 HG1 THR 10 -1.330 11.848 -5.971 1013 HG21 THR1010 1HG2 THR 10 1.496 12.485 -4.015 1014 HG22 THR1010 2HG2 THR 10 0.586 11.982 -2.589 1015 HG23 THR1010 3HG2 THR 10 -0.053 13.243 -3.643 1016 H ALA1011 H ALA 11 -1.096 8.830 -2.823 1017 HA ALA1011 HA ALA 11 0.402 9.046 -0.391 1018 HB1 ALA1011 1HB ALA 11 -1.462 7.805 0.624 1019 HB2 ALA1011 2HB ALA 11 -2.093 7.411 -0.977 1020 HB3 ALA1011 3HB ALA 11 -2.065 9.087 -0.429 1021 H LEU1012 H LEU 12 0.023 6.570 -2.841 1022 HA LEU1012 HA LEU 12 1.203 4.386 -1.413 1023 HB2 LEU1012 2HB LEU 12 0.864 4.872 -4.404 1024 HB3 LEU1012 1HB LEU 12 1.598 3.418 -3.755 1025 HG LEU1012 HG LEU 12 -1.303 4.276 -3.602 1026 HD11 LEU1012 1HD1 LEU 12 -1.721 2.078 -4.616 1027 HD12 LEU1012 2HD1 LEU 12 0.013 1.751 -4.634 1028 HD13 LEU1012 3HD1 LEU 12 -0.648 3.067 -5.606 1029 HD21 LEU1012 1HD2 LEU 12 -0.008 2.097 -1.941 1030 HD22 LEU1012 2HD2 LEU 12 -1.748 2.339 -2.134 1031 HD23 LEU1012 3HD2 LEU 12 -0.772 3.576 -1.348 1032 H ASP1013 H ASP 13 2.409 6.761 -3.764 1033 HA ASP1013 HA ASP 13 5.100 5.763 -3.708 1034 HB2 ASP1013 2HB ASP 13 4.014 6.947 -5.670 1035 HB3 ASP1013 1HB ASP 13 4.156 8.457 -4.777 1036 H ASN1014 H ASN 14 3.296 8.082 -1.852 1037 HA ASN1014 HA ASN 14 5.464 9.368 -0.520 1038 HB2 ASN1014 2HB ASN 14 3.195 10.325 -0.411 1039 HB3 ASN1014 1HB ASN 14 2.596 8.888 0.413 1040 HD21 ASN1014 1HD2 ASN 14 5.562 10.824 0.953 1041 HD22 ASN1014 2HD2 ASN 14 5.212 11.197 2.601 1042 H PHE1015 H PHE 15 3.430 6.500 0.223 1043 HA PHE1015 HA PHE 15 4.670 5.633 2.570 1044 HB2 PHE1015 2HB PHE 15 2.650 4.536 1.920 1045 HB3 PHE1015 1HB PHE 15 3.270 4.133 0.327 1046 HD1 PHE1015 HD1 PHE 15 4.201 2.008 -0.057 1047 HD2 PHE1015 HD2 PHE 15 3.773 3.343 3.971 1048 HE1 PHE1015 HE1 PHE 15 4.856 -0.218 0.740 1049 HE2 PHE1015 HE2 PHE 15 4.432 1.109 4.775 1050 HZ PHE1015 HZ PHE 15 4.974 -0.674 3.159 1051 H GLU1016 H GLU 16 5.321 4.533 -0.763 1052 HA GLU1016 HA GLU 16 7.542 3.015 -0.569 1053 HB2 GLU1016 2HB GLU 16 6.384 3.384 -2.661 1054 HB3 GLU1016 1HB GLU 16 6.785 5.093 -2.651 1055 HG2 GLU1016 2HG GLU 16 8.067 3.858 -4.334 1056 HG3 GLU1016 1HG GLU 16 9.115 4.604 -3.134 1057 H ALA1017 H ALA 17 7.599 6.575 -0.863 1058 HA ALA1017 HA ALA 17 10.393 6.950 -0.812 1059 HB1 ALA1017 1HB ALA 17 8.185 8.874 -0.004 1060 HB2 ALA1017 2HB ALA 17 8.810 8.639 -1.637 1061 HB3 ALA1017 3HB ALA 17 9.854 9.319 -0.389 1062 H LYS1018 H LYS 18 8.031 7.605 1.758 1063 HA LYS1018 HA LYS 18 9.759 8.263 3.847 1064 HB2 LYS1018 2HB LYS 18 6.903 7.268 3.697 1065 HB3 LYS1018 1HB LYS 18 7.641 7.574 5.258 1066 HG2 LYS1018 2HG LYS 18 7.695 9.767 3.189 1067 HG3 LYS1018 1HG LYS 18 6.185 9.433 4.033 1068 HD2 LYS1018 2HD LYS 18 8.829 10.072 5.403 1069 HD3 LYS1018 1HD LYS 18 7.528 11.233 5.123 1070 HE2 LYS1018 2HE LYS 18 6.022 9.987 6.578 1071 HE3 LYS1018 1HE LYS 18 7.198 8.683 6.752 1072 HZ1 LYS1018 1HZ LYS 18 7.189 10.116 8.681 1073 HZ2 LYS1018 2HZ LYS 18 7.545 11.467 7.724 1074 HZ3 LYS1018 3HZ LYS 18 8.678 10.222 7.882 1075 H MET1019 H MET 19 8.489 5.116 2.883 1076 HA MET1019 HA MET 19 9.300 3.828 5.340 1077 HB2 MET1019 2HB MET 19 8.048 1.990 4.674 1078 HB3 MET1019 1HB MET 19 7.198 3.292 3.870 1079 HG2 MET1019 2HG MET 19 7.308 1.578 2.264 1080 HG3 MET1019 1HG MET 19 8.579 2.698 1.805 1081 HE1 MET1019 1HE MET 19 7.935 -0.520 3.953 1082 HE2 MET1019 2HE MET 19 9.009 0.499 4.912 1083 HE3 MET1019 3HE MET 19 9.596 -1.025 4.256 1084 H ALA1020 H ALA 20 10.481 4.093 2.000 1085 HA ALA1020 HA ALA 20 12.735 2.382 2.278 1086 HB1 ALA1020 1HB ALA 20 13.672 3.603 0.359 1087 HB2 ALA1020 2HB ALA 20 12.435 4.852 0.536 1088 HB3 ALA1020 3HB ALA 20 11.972 3.208 0.092 1089 H LEU1021 H LEU 21 12.104 5.734 3.226 1090 HA LEU1021 HA LEU 21 14.760 6.389 4.047 1091 HB2 LEU1021 2HB LEU 21 12.097 7.588 4.910 1092 HB3 LEU1021 1HB LEU 21 13.664 8.267 5.315 1093 HG LEU1021 HG LEU 21 12.558 7.992 2.493 1094 HD11 LEU1021 1HD1 LEU 21 12.301 10.434 2.517 1095 HD12 LEU1021 2HD1 LEU 21 12.803 10.480 4.209 1096 HD13 LEU1021 3HD1 LEU 21 11.307 9.662 3.752 1097 HD21 LEU1021 1HD2 LEU 21 14.470 9.391 1.803 1098 HD22 LEU1021 2HD2 LEU 21 14.983 7.847 2.475 1099 HD23 LEU1021 3HD2 LEU 21 15.115 9.315 3.445 1100 H LEU1022 H LEU 22 12.055 4.729 5.709 1101 HA LEU1022 HA LEU 22 12.845 4.809 8.378 1102 HB2 LEU1022 2HB LEU 22 11.755 2.382 6.897 1103 HB3 LEU1022 1HB LEU 22 11.878 2.484 8.644 1104 HG LEU1022 HG LEU 22 10.088 4.204 6.884 1105 HD11 LEU1022 1HD1 LEU 22 8.222 2.993 7.941 1106 HD12 LEU1022 2HD1 LEU 22 9.367 1.960 8.800 1107 HD13 LEU1022 3HD1 LEU 22 9.277 1.907 7.038 1108 HD21 LEU1022 1HD2 LEU 22 10.325 4.184 9.904 1109 HD22 LEU1022 2HD2 LEU 22 9.125 5.074 8.960 1110 HD23 LEU1022 3HD2 LEU 22 10.833 5.486 8.822 1111 HA PRO1023 HA PRO 23 16.914 2.777 7.779 1112 HB2 PRO1023 2HB PRO 23 18.327 4.153 9.585 1113 HB3 PRO1023 1HB PRO 23 17.632 4.996 8.184 1114 HG2 PRO1023 2HG PRO 23 16.672 4.962 11.016 1115 HG3 PRO1023 1HG PRO 23 16.689 6.299 9.848 1116 HD2 PRO1023 2HD PRO 23 14.470 4.619 10.426 1117 HD3 PRO1023 1HD PRO 23 14.603 5.758 9.068 1118 H ALA1024 H ALA 24 14.764 1.580 9.587 1119 HA ALA1024 HA ALA 24 16.480 0.256 11.630 1120 HB1 ALA1024 1HB ALA 24 14.453 0.019 13.028 1121 HB2 ALA1024 2HB ALA 24 13.496 0.867 11.810 1122 HB3 ALA1024 3HB ALA 24 14.777 1.717 12.675 1123 H VAL1025 H VAL 25 13.445 -0.171 9.812 1124 HA VAL1025 HA VAL 25 14.067 -3.032 9.363 1125 HB VAL1025 HB VAL 25 11.560 -3.386 9.186 1126 HG11 VAL1025 1HG1 VAL 25 12.570 -2.398 11.883 1127 HG12 VAL1025 2HG1 VAL 25 12.760 -4.025 11.224 1128 HG13 VAL1025 3HG1 VAL 25 11.152 -3.424 11.631 1129 HG21 VAL1025 1HG2 VAL 25 11.362 -0.583 10.374 1130 HG22 VAL1025 2HG2 VAL 25 10.021 -1.711 10.153 1131 HG23 VAL1025 3HG2 VAL 25 10.861 -1.054 8.749
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