NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
598302 | 2rur | 11588 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1HT GLY 1 8.511 15.492 -14.220 2 H2 GLY 1 2HT GLY 1 8.049 14.103 -13.382 3 H3 GLY 1 3HT GLY 1 9.590 14.202 -14.070 4 HA2 GLY 1 1HA GLY 1 9.697 14.526 -11.690 5 HA3 GLY 1 2HA GLY 1 10.200 15.962 -12.570 6 H SER 2 HN SER 2 9.348 16.049 -9.921 7 HA SER 2 HA SER 2 6.584 16.852 -9.868 8 HB2 SER 2 2HB SER 2 8.693 17.106 -7.715 9 HB3 SER 2 1HB SER 2 6.945 17.228 -7.497 10 HG SER 2 HG SER 2 7.529 14.939 -8.761 11 H HIS 3 HN HIS 3 6.065 18.703 -10.777 12 HA HIS 3 HA HIS 3 7.930 20.964 -10.691 13 HB2 HIS 3 2HB HIS 3 5.469 20.470 -12.373 14 HB3 HIS 3 1HB HIS 3 6.419 21.949 -12.424 15 HD1 HIS 3 1HD HIS 3 6.247 18.541 -13.789 16 HD2 HIS 3 2HD HIS 3 9.079 21.568 -13.477 17 HE1 HIS 3 1HE HIS 3 8.050 17.949 -15.424 18 HE2 HIS 3 2HE HIS 3 9.816 19.719 -15.123 19 H MET 4 HN MET 4 5.668 19.874 -8.722 20 HA MET 4 HA MET 4 5.009 22.535 -7.787 21 HB2 MET 4 2HB MET 4 2.603 22.061 -7.585 22 HB3 MET 4 1HB MET 4 3.130 22.083 -9.260 23 HG2 MET 4 2HG MET 4 3.101 19.678 -9.348 24 HG3 MET 4 1HG MET 4 2.712 19.586 -7.632 25 HE1 MET 4 3HE MET 4 -0.926 20.931 -7.484 26 HE2 MET 4 1HE MET 4 0.558 21.842 -7.212 27 HE3 MET 4 2HE MET 4 0.408 20.198 -6.593 28 H GLU 5 HN GLU 5 4.487 22.629 -5.622 29 HA GLU 5 HA GLU 5 4.932 20.132 -4.142 30 HB2 GLU 5 2HB GLU 5 6.648 21.845 -3.742 31 HB3 GLU 5 1HB GLU 5 5.400 22.989 -3.270 32 HG2 GLU 5 2HG GLU 5 4.779 21.410 -1.427 33 HG3 GLU 5 1HG GLU 5 6.215 20.477 -1.840 34 HA PRO 6 HA PRO 6 0.693 21.097 -2.980 35 HB2 PRO 6 2HB PRO 6 -0.167 18.581 -2.737 36 HB3 PRO 6 1HB PRO 6 0.089 19.309 -4.327 37 HG2 PRO 6 2HG PRO 6 1.760 17.334 -2.860 38 HG3 PRO 6 1HG PRO 6 1.489 17.507 -4.600 39 HD2 PRO 6 2HD PRO 6 3.719 18.446 -3.145 40 HD3 PRO 6 1HD PRO 6 3.297 18.866 -4.816 41 H ALA 7 HN ALA 7 -0.060 21.422 -0.971 42 HA ALA 7 HA ALA 7 1.415 20.294 1.268 43 HB1 ALA 7 1HB ALA 7 0.120 21.852 2.639 44 HB2 ALA 7 2HB ALA 7 -0.826 22.314 1.225 45 HB3 ALA 7 3HB ALA 7 0.897 22.683 1.292 46 H ARG 8 HN ARG 8 -1.326 19.671 -0.554 47 HA ARG 8 HA ARG 8 -2.338 17.806 1.478 48 HB2 ARG 8 2HB ARG 8 -3.959 19.423 -0.500 49 HB3 ARG 8 1HB ARG 8 -4.607 18.175 0.554 50 HG2 ARG 8 2HG ARG 8 -4.097 19.468 2.502 51 HG3 ARG 8 1HG ARG 8 -3.244 20.671 1.533 52 HD2 ARG 8 2HD ARG 8 -5.322 21.244 0.399 53 HD3 ARG 8 1HD ARG 8 -6.178 20.015 1.328 54 HE ARG 8 HE ARG 8 -5.672 21.333 3.330 55 HH11 ARG 8 1HH1 ARG 8 -5.487 22.961 0.213 56 HH12 ARG 8 2HH1 ARG 8 -5.734 24.529 0.894 57 HH21 ARG 8 1HH2 ARG 8 -6.020 23.405 4.203 58 HH22 ARG 8 2HH2 ARG 8 -6.031 24.788 3.158 59 H VAL 9 HN VAL 9 -2.022 15.803 0.812 60 HA VAL 9 HA VAL 9 -2.333 15.214 -2.044 61 HB VAL 9 HB VAL 9 0.069 15.292 -1.572 62 HG11 VAL 9 1HG1 VAL 9 1.121 13.724 -0.009 63 HG12 VAL 9 2HG1 VAL 9 -0.476 13.193 0.519 64 HG13 VAL 9 3HG1 VAL 9 0.040 14.853 0.809 65 HG21 VAL 9 3HG2 VAL 9 0.697 13.037 -2.319 66 HG22 VAL 9 1HG2 VAL 9 -0.694 13.662 -3.206 67 HG23 VAL 9 2HG2 VAL 9 -0.926 12.466 -1.930 68 H ARG 10 HN ARG 10 -3.445 13.382 -2.506 69 HA ARG 10 HA ARG 10 -4.396 11.825 -0.198 70 HB2 ARG 10 2HB ARG 10 -6.218 13.015 -1.272 71 HB3 ARG 10 1HB ARG 10 -5.757 12.366 -2.839 72 HG2 ARG 10 2HG ARG 10 -6.236 10.088 -1.965 73 HG3 ARG 10 1HG ARG 10 -6.864 10.842 -0.499 74 HD2 ARG 10 2HD ARG 10 -8.588 11.948 -1.728 75 HD3 ARG 10 1HD ARG 10 -7.882 11.446 -3.267 76 HE ARG 10 HE ARG 10 -8.805 9.412 -1.359 77 HH11 ARG 10 1HH1 ARG 10 -9.167 11.036 -4.460 78 HH12 ARG 10 2HH1 ARG 10 -10.208 9.823 -5.115 79 HH21 ARG 10 1HH2 ARG 10 -10.170 7.812 -2.240 80 HH22 ARG 10 2HH2 ARG 10 -10.775 7.981 -3.853 81 H CYS 11 HN CYS 11 -3.834 9.764 -0.110 82 HA CYS 11 HA CYS 11 -3.243 8.333 -2.574 83 HB2 CYS 11 2HB CYS 11 -1.306 8.475 -0.254 84 HB3 CYS 11 1HB CYS 11 -1.128 7.458 -1.678 85 HG CYS 11 HG CYS 11 -1.556 10.516 -2.698 86 H SER 12 HN SER 12 -3.768 6.241 -2.516 87 HA SER 12 HA SER 12 -4.933 5.199 -0.047 88 HB2 SER 12 2HB SER 12 -5.064 4.056 -2.855 89 HB3 SER 12 1HB SER 12 -6.047 3.577 -1.471 90 HG SER 12 HG SER 12 -6.478 6.124 -1.651 91 H HIS 13 HN HIS 13 -4.345 2.966 0.615 92 HA HIS 13 HA HIS 13 -1.732 2.143 -0.410 93 HB2 HIS 13 2HB HIS 13 -0.670 2.075 1.747 94 HB3 HIS 13 1HB HIS 13 -1.286 3.693 1.464 95 HD1 HIS 13 1HD HIS 13 -0.689 2.052 4.262 96 HD2 HIS 13 2HD HIS 13 -4.355 3.180 2.660 97 HE1 HIS 13 1HE HIS 13 -2.257 2.166 6.199 98 HE2 HIS 13 2HE HIS 13 -4.427 3.010 5.245 99 H LEU 14 HN LEU 14 -1.185 0.069 -0.186 100 HA LEU 14 HA LEU 14 -3.092 -1.733 1.141 101 HB2 LEU 14 2HB LEU 14 -3.163 -1.856 -1.359 102 HB3 LEU 14 1HB LEU 14 -1.465 -2.275 -1.357 103 HG LEU 14 HG LEU 14 -3.388 -4.023 0.129 104 HD11 LEU 14 1HD1 LEU 14 -2.919 -4.086 -2.848 105 HD12 LEU 14 2HD1 LEU 14 -4.436 -3.686 -2.043 106 HD13 LEU 14 3HD1 LEU 14 -3.772 -5.313 -1.914 107 HD21 LEU 14 3HD2 LEU 14 -1.802 -5.755 -0.537 108 HD22 LEU 14 1HD2 LEU 14 -0.987 -4.442 0.312 109 HD23 LEU 14 2HD2 LEU 14 -0.870 -4.564 -1.444 110 H LEU 15 HN LEU 15 -2.180 -3.345 2.413 111 HA LEU 15 HA LEU 15 0.742 -3.474 2.541 112 HB2 LEU 15 2HB LEU 15 0.083 -1.813 4.212 113 HB3 LEU 15 1HB LEU 15 -1.068 -2.927 4.902 114 HG LEU 15 HG LEU 15 1.140 -2.506 6.160 115 HD11 LEU 15 1HD1 LEU 15 1.265 -4.801 6.970 116 HD12 LEU 15 2HD1 LEU 15 0.282 -5.333 5.604 117 HD13 LEU 15 3HD1 LEU 15 -0.402 -4.245 6.813 118 HD21 LEU 15 3HD2 LEU 15 3.018 -3.920 5.525 119 HD22 LEU 15 1HD2 LEU 15 2.644 -2.750 4.260 120 HD23 LEU 15 2HD2 LEU 15 2.151 -4.434 4.080 121 H VAL 16 HN VAL 16 1.464 -5.463 2.697 122 HA VAL 16 HA VAL 16 -0.289 -7.543 3.809 123 HB VAL 16 HB VAL 16 1.728 -7.875 1.560 124 HG11 VAL 16 1HG1 VAL 16 -0.132 -9.889 2.821 125 HG12 VAL 16 2HG1 VAL 16 1.623 -9.843 2.995 126 HG13 VAL 16 3HG1 VAL 16 0.900 -10.178 1.421 127 HG21 VAL 16 3HG2 VAL 16 -0.213 -8.386 0.153 128 HG22 VAL 16 1HG2 VAL 16 -0.300 -6.751 0.803 129 HG23 VAL 16 2HG2 VAL 16 -1.287 -8.032 1.507 130 H LYS 17 HN LYS 17 0.555 -8.533 5.541 131 HA LYS 17 HA LYS 17 3.100 -7.763 6.564 132 HB2 LYS 17 2HB LYS 17 1.309 -10.010 7.491 133 HB3 LYS 17 1HB LYS 17 2.643 -9.312 8.391 134 HG2 LYS 17 2HG LYS 17 1.385 -7.147 8.409 135 HG3 LYS 17 1HG LYS 17 0.016 -8.016 7.699 136 HD2 LYS 17 2HD LYS 17 0.172 -9.624 9.629 137 HD3 LYS 17 1HD LYS 17 1.336 -8.522 10.363 138 HE2 LYS 17 2HE LYS 17 -1.527 -7.905 9.652 139 HE3 LYS 17 1HE LYS 17 -0.886 -8.162 11.274 140 HZ1 LYS 17 3HZ LYS 17 -0.954 -5.901 11.107 141 HZ2 LYS 17 1HZ LYS 17 -0.556 -5.874 9.468 142 HZ3 LYS 17 2HZ LYS 17 0.639 -6.188 10.628 143 H HIS 18 HN HIS 18 4.615 -9.522 7.427 144 HA HIS 18 HA HIS 18 4.874 -11.799 5.646 145 HB2 HIS 18 2HB HIS 18 7.321 -11.310 5.289 146 HB3 HIS 18 1HB HIS 18 6.232 -10.212 4.464 147 HD1 HIS 18 1HD HIS 18 9.074 -10.271 6.747 148 HD2 HIS 18 2HD HIS 18 6.062 -7.600 5.749 149 HE1 HIS 18 1HE HIS 18 9.822 -8.052 7.642 150 HE2 HIS 18 2HE HIS 18 8.114 -6.424 6.807 151 H SER 19 HN SER 19 6.768 -13.224 6.438 152 HA SER 19 HA SER 19 6.130 -14.106 8.991 153 HB2 SER 19 2HB SER 19 8.686 -14.637 7.474 154 HB3 SER 19 1HB SER 19 8.030 -15.613 8.789 155 HG SER 19 HG SER 19 6.152 -15.261 6.907 156 H GLN 20 HN GLN 20 8.665 -11.882 8.019 157 HA GLN 20 HA GLN 20 9.835 -11.949 10.676 158 HB2 GLN 20 2HB GLN 20 10.645 -10.272 8.301 159 HB3 GLN 20 1HB GLN 20 11.564 -10.493 9.783 160 HG2 GLN 20 2HG GLN 20 10.944 -12.596 7.714 161 HG3 GLN 20 1HG GLN 20 12.507 -11.850 8.031 162 HE21 GLN 20 1HE2 GLN 20 13.650 -12.462 9.857 163 HE22 GLN 20 2HE2 GLN 20 13.274 -13.896 10.743 164 H SER 21 HN SER 21 7.110 -10.599 9.805 165 HA SER 21 HA SER 21 7.490 -7.859 10.570 166 HB2 SER 21 2HB SER 21 4.968 -9.529 10.341 167 HB3 SER 21 1HB SER 21 4.990 -7.793 10.648 168 HG SER 21 HG SER 21 5.516 -7.418 8.626 169 H ARG 22 HN ARG 22 6.680 -6.861 12.513 170 HA ARG 22 HA ARG 22 7.388 -8.221 14.876 171 HB2 ARG 22 2HB ARG 22 5.824 -5.674 14.467 172 HB3 ARG 22 1HB ARG 22 6.318 -6.266 16.045 173 HG2 ARG 22 2HG ARG 22 8.660 -6.125 15.357 174 HG3 ARG 22 1HG ARG 22 8.151 -5.509 13.783 175 HD2 ARG 22 2HD ARG 22 7.152 -3.568 14.839 176 HD3 ARG 22 1HD ARG 22 7.562 -4.196 16.434 177 HE ARG 22 HE ARG 22 9.911 -4.049 14.964 178 HH11 ARG 22 1HH1 ARG 22 7.517 -1.831 16.263 179 HH12 ARG 22 2HH1 ARG 22 8.646 -0.538 16.466 180 HH21 ARG 22 1HH2 ARG 22 11.394 -2.336 15.213 181 HH22 ARG 22 2HH2 ARG 22 10.859 -0.823 15.856 182 H ARG 23 HN ARG 23 4.245 -7.488 13.457 183 HA ARG 23 HA ARG 23 3.015 -9.244 15.455 184 HB2 ARG 23 2HB ARG 23 2.143 -6.874 15.114 185 HB3 ARG 23 1HB ARG 23 1.582 -7.406 13.537 186 HG2 ARG 23 2HG ARG 23 -0.228 -7.451 15.143 187 HG3 ARG 23 1HG ARG 23 0.162 -9.090 14.618 188 HD2 ARG 23 2HD ARG 23 -0.226 -8.861 17.074 189 HD3 ARG 23 1HD ARG 23 1.349 -9.529 16.652 190 HE ARG 23 HE ARG 23 1.417 -6.690 16.977 191 HH11 ARG 23 1HH1 ARG 23 1.430 -9.705 18.775 192 HH12 ARG 23 2HH1 ARG 23 2.320 -9.039 20.102 193 HH21 ARG 23 1HH2 ARG 23 2.598 -5.832 18.718 194 HH22 ARG 23 2HH2 ARG 23 2.982 -6.840 20.071 195 HA PRO 24 HA PRO 24 2.948 -11.982 11.860 196 HB2 PRO 24 2HB PRO 24 2.937 -14.286 13.205 197 HB3 PRO 24 1HB PRO 24 4.398 -13.292 13.106 198 HG2 PRO 24 2HG PRO 24 2.433 -13.552 15.347 199 HG3 PRO 24 1HG PRO 24 4.202 -13.463 15.412 200 HD2 PRO 24 2HD PRO 24 2.506 -11.329 15.861 201 HD3 PRO 24 1HD PRO 24 4.202 -11.179 15.361 202 H SER 25 HN SER 25 0.558 -10.797 13.400 203 HA SER 25 HA SER 25 -1.394 -12.666 12.343 204 HB2 SER 25 2HB SER 25 -2.757 -12.396 14.449 205 HB3 SER 25 1HB SER 25 -1.293 -13.361 14.634 206 HG SER 25 HG SER 25 -1.104 -12.015 16.277 207 H SER 26 HN SER 26 -3.479 -11.650 12.001 208 HA SER 26 HA SER 26 -3.421 -8.724 12.126 209 HB2 SER 26 2HB SER 26 -4.279 -8.613 9.829 210 HB3 SER 26 1HB SER 26 -2.713 -9.425 9.872 211 H TRP 27 HN TRP 27 -5.802 -8.246 10.889 212 HA TRP 27 HA TRP 27 -7.729 -9.379 12.755 213 HB2 TRP 27 2HB TRP 27 -9.244 -7.605 11.766 214 HB3 TRP 27 1HB TRP 27 -7.819 -6.988 12.591 215 HD1 TRP 27 1HD TRP 27 -5.825 -6.016 11.004 216 HE1 TRP 27 1HE TRP 27 -5.913 -4.970 8.661 217 HE3 TRP 27 3HE TRP 27 -10.448 -7.654 9.557 218 HZ2 TRP 27 2HZ TRP 27 -7.703 -4.841 6.489 219 HZ3 TRP 27 3HZ TRP 27 -11.271 -7.019 7.328 220 HH2 TRP 27 2HH TRP 27 -9.928 -5.642 5.829 221 H ARG 28 HN ARG 28 -6.480 -10.439 10.067 222 HA ARG 28 HA ARG 28 -8.997 -11.595 9.128 223 HB2 ARG 28 2HB ARG 28 -8.060 -11.490 6.784 224 HB3 ARG 28 1HB ARG 28 -8.580 -9.962 7.480 225 HG2 ARG 28 2HG ARG 28 -6.331 -9.287 7.871 226 HG3 ARG 28 1HG ARG 28 -5.720 -10.892 7.459 227 HD2 ARG 28 2HD ARG 28 -7.169 -9.048 5.569 228 HD3 ARG 28 1HD ARG 28 -5.418 -9.256 5.639 229 HE ARG 28 HE ARG 28 -6.205 -11.765 5.277 230 HH11 ARG 28 1HH1 ARG 28 -7.267 -8.850 3.656 231 HH12 ARG 28 2HH1 ARG 28 -7.605 -9.651 2.161 232 HH21 ARG 28 1HH2 ARG 28 -6.637 -12.824 3.318 233 HH22 ARG 28 2HH2 ARG 28 -7.212 -11.931 1.957 234 H GLN 29 HN GLN 29 -5.517 -11.886 9.524 235 HA GLN 29 HA GLN 29 -5.769 -14.775 8.997 236 HB2 GLN 29 2HB GLN 29 -4.233 -13.339 7.506 237 HB3 GLN 29 1HB GLN 29 -3.198 -13.199 8.918 238 HG2 GLN 29 2HG GLN 29 -2.310 -14.942 7.617 239 HG3 GLN 29 1HG GLN 29 -3.126 -15.715 8.973 240 HE21 GLN 29 1HE2 GLN 29 -2.456 -16.828 6.387 241 HE22 GLN 29 2HE2 GLN 29 -3.941 -17.323 5.658 242 H GLU 30 HN GLU 30 -4.756 -16.200 10.477 243 HA GLU 30 HA GLU 30 -4.567 -15.129 13.161 244 HB2 GLU 30 2HB GLU 30 -4.267 -17.978 12.208 245 HB3 GLU 30 1HB GLU 30 -4.410 -17.456 13.876 246 HG2 GLU 30 2HG GLU 30 -6.505 -17.264 11.733 247 HG3 GLU 30 1HG GLU 30 -6.514 -18.315 13.148 248 H LYS 31 HN LYS 31 -2.476 -16.682 10.791 249 HA LYS 31 HA LYS 31 -0.189 -15.552 12.180 250 HB2 LYS 31 2HB LYS 31 1.101 -17.636 12.032 251 HB3 LYS 31 1HB LYS 31 -0.301 -17.817 13.071 252 HG2 LYS 31 2HG LYS 31 -1.476 -19.022 11.327 253 HG3 LYS 31 1HG LYS 31 -0.129 -18.765 10.215 254 HD2 LYS 31 2HD LYS 31 1.340 -20.035 11.725 255 HD3 LYS 31 1HD LYS 31 -0.026 -20.313 12.803 256 HE2 LYS 31 2HE LYS 31 0.115 -21.213 9.927 257 HE3 LYS 31 1HE LYS 31 0.469 -22.237 11.315 258 HZ1 LYS 31 3HZ LYS 31 -1.824 -21.850 12.084 259 HZ2 LYS 31 1HZ LYS 31 -1.763 -22.612 10.576 260 HZ3 LYS 31 2HZ LYS 31 -2.136 -20.970 10.672 261 H ILE 32 HN ILE 32 1.312 -14.785 10.843 262 HA ILE 32 HA ILE 32 0.768 -14.961 8.003 263 HB ILE 32 HB ILE 32 2.907 -13.347 9.410 264 HG12 ILE 32 2HG1 ILE 32 0.665 -12.683 10.170 265 HG13 ILE 32 1HG1 ILE 32 1.390 -11.430 9.171 266 HG21 ILE 32 1HG2 ILE 32 1.761 -13.119 6.630 267 HG22 ILE 32 2HG2 ILE 32 3.358 -13.743 7.044 268 HG23 ILE 32 3HG2 ILE 32 2.968 -12.048 7.340 269 HD11 ILE 32 3HD1 ILE 32 -0.960 -11.699 8.652 270 HD12 ILE 32 1HD1 ILE 32 -0.706 -13.408 8.297 271 HD13 ILE 32 2HD1 ILE 32 0.029 -12.178 7.273 272 H THR 33 HN THR 33 1.400 -16.963 7.378 273 HA THR 33 HA THR 33 3.969 -18.047 8.094 274 HB THR 33 HB THR 33 2.118 -19.126 5.966 275 HG1 THR 33 1HG THR 33 1.651 -20.379 8.231 276 HG21 THR 33 3HG2 THR 33 3.052 -21.274 6.647 277 HG22 THR 33 1HG2 THR 33 3.992 -20.483 7.912 278 HG23 THR 33 2HG2 THR 33 4.350 -20.160 6.217 279 H ARG 34 HN ARG 34 2.635 -16.142 5.561 280 HA ARG 34 HA ARG 34 4.506 -16.855 3.523 281 HB2 ARG 34 2HB ARG 34 3.589 -14.995 2.267 282 HB3 ARG 34 1HB ARG 34 2.282 -15.903 3.013 283 HG2 ARG 34 2HG ARG 34 2.149 -14.213 4.792 284 HG3 ARG 34 1HG ARG 34 3.421 -13.292 3.988 285 HD2 ARG 34 2HD ARG 34 1.239 -12.392 3.442 286 HD3 ARG 34 1HD ARG 34 1.999 -13.078 2.008 287 HE ARG 34 HE ARG 34 0.559 -15.063 2.387 288 HH11 ARG 34 1HH1 ARG 34 -0.398 -11.965 3.719 289 HH12 ARG 34 2HH1 ARG 34 -2.082 -12.352 3.737 290 HH21 ARG 34 1HH2 ARG 34 -1.657 -15.576 2.403 291 HH22 ARG 34 2HH2 ARG 34 -2.807 -14.413 2.968 292 H THR 35 HN THR 35 6.451 -16.036 3.073 293 HA THR 35 HA THR 35 7.538 -14.076 4.923 294 HB THR 35 HB THR 35 8.813 -16.171 4.400 295 HG1 THR 35 1HG THR 35 10.612 -15.082 4.708 296 HG21 THR 35 3HG2 THR 35 10.026 -16.302 2.254 297 HG22 THR 35 1HG2 THR 35 9.150 -14.882 1.683 298 HG23 THR 35 2HG2 THR 35 8.279 -16.377 2.023 299 H LYS 36 HN LYS 36 9.440 -12.825 3.451 300 HA LYS 36 HA LYS 36 8.166 -10.621 2.369 301 HB2 LYS 36 2HB LYS 36 10.415 -10.407 3.072 302 HB3 LYS 36 1HB LYS 36 10.953 -11.701 2.015 303 HG2 LYS 36 2HG LYS 36 10.557 -10.294 0.068 304 HG3 LYS 36 1HG LYS 36 9.970 -8.999 1.114 305 HD2 LYS 36 2HD LYS 36 12.132 -8.775 2.144 306 HD3 LYS 36 1HD LYS 36 12.734 -10.197 1.292 307 HE2 LYS 36 2HE LYS 36 11.742 -7.735 -0.129 308 HE3 LYS 36 1HE LYS 36 13.424 -7.949 0.354 309 HZ1 LYS 36 3HZ LYS 36 12.876 -8.611 -1.982 310 HZ2 LYS 36 1HZ LYS 36 11.984 -9.908 -1.361 311 HZ3 LYS 36 2HZ LYS 36 13.641 -9.800 -1.067 312 H GLU 37 HN GLU 37 9.753 -13.249 0.576 313 HA GLU 37 HA GLU 37 9.104 -12.255 -1.967 314 HB2 GLU 37 2HB GLU 37 9.799 -15.048 -1.096 315 HB3 GLU 37 1HB GLU 37 9.721 -14.514 -2.769 316 HG2 GLU 37 2HG GLU 37 11.599 -13.513 -0.643 317 HG3 GLU 37 1HG GLU 37 12.007 -14.534 -2.021 318 H GLU 38 HN GLU 38 7.440 -14.572 0.114 319 HA GLU 38 HA GLU 38 5.496 -15.366 -1.779 320 HB2 GLU 38 2HB GLU 38 5.420 -15.366 1.236 321 HB3 GLU 38 1HB GLU 38 4.198 -16.119 0.220 322 HG2 GLU 38 2HG GLU 38 5.806 -17.669 -0.653 323 HG3 GLU 38 1HG GLU 38 7.112 -16.848 0.199 324 H ALA 39 HN ALA 39 5.604 -12.766 0.595 325 HA ALA 39 HA ALA 39 2.931 -11.880 0.128 326 HB1 ALA 39 1HB ALA 39 3.595 -9.889 1.390 327 HB2 ALA 39 2HB ALA 39 5.283 -10.390 1.301 328 HB3 ALA 39 3HB ALA 39 4.122 -11.360 2.208 329 H LEU 40 HN LEU 40 6.086 -11.143 -1.183 330 HA LEU 40 HA LEU 40 5.430 -8.845 -2.648 331 HB2 LEU 40 2HB LEU 40 7.726 -9.617 -2.137 332 HB3 LEU 40 1HB LEU 40 7.515 -10.933 -3.273 333 HG LEU 40 HG LEU 40 7.310 -9.314 -5.112 334 HD11 LEU 40 1HD1 LEU 40 7.886 -7.260 -2.983 335 HD12 LEU 40 2HD1 LEU 40 6.372 -7.442 -3.872 336 HD13 LEU 40 3HD1 LEU 40 7.840 -6.961 -4.720 337 HD21 LEU 40 3HD2 LEU 40 9.634 -8.594 -5.131 338 HD22 LEU 40 1HD2 LEU 40 9.487 -10.244 -4.531 339 HD23 LEU 40 2HD2 LEU 40 9.757 -8.920 -3.402 340 H GLU 41 HN GLU 41 5.213 -12.278 -3.447 341 HA GLU 41 HA GLU 41 4.575 -11.995 -6.163 342 HB2 GLU 41 2HB GLU 41 3.706 -14.137 -4.213 343 HB3 GLU 41 1HB GLU 41 3.521 -14.239 -5.958 344 HG2 GLU 41 2HG GLU 41 5.974 -14.077 -6.189 345 HG3 GLU 41 1HG GLU 41 6.109 -14.087 -4.432 346 H LEU 42 HN LEU 42 2.534 -12.018 -3.279 347 HA LEU 42 HA LEU 42 0.056 -11.812 -4.601 348 HB2 LEU 42 2HB LEU 42 0.851 -10.781 -1.876 349 HB3 LEU 42 1HB LEU 42 -0.795 -10.947 -2.451 350 HG LEU 42 HG LEU 42 1.142 -13.209 -1.965 351 HD11 LEU 42 1HD1 LEU 42 -1.321 -12.338 -0.465 352 HD12 LEU 42 2HD1 LEU 42 0.346 -12.191 0.090 353 HD13 LEU 42 3HD1 LEU 42 -0.370 -13.787 -0.134 354 HD21 LEU 42 3HD2 LEU 42 -1.739 -13.232 -2.858 355 HD22 LEU 42 1HD2 LEU 42 -0.817 -14.653 -2.367 356 HD23 LEU 42 2HD2 LEU 42 -0.342 -13.746 -3.801 357 H ILE 43 HN ILE 43 2.265 -9.375 -3.303 358 HA ILE 43 HA ILE 43 0.829 -7.064 -3.855 359 HB ILE 43 HB ILE 43 3.821 -7.503 -3.979 360 HG12 ILE 43 2HG1 ILE 43 2.810 -8.011 -1.798 361 HG13 ILE 43 1HG1 ILE 43 3.839 -6.590 -1.710 362 HG21 ILE 43 1HG2 ILE 43 2.313 -4.896 -3.812 363 HG22 ILE 43 2HG2 ILE 43 3.223 -5.484 -5.203 364 HG23 ILE 43 3HG2 ILE 43 4.063 -5.087 -3.704 365 HD11 ILE 43 3HD1 ILE 43 1.831 -6.250 -0.424 366 HD12 ILE 43 1HD1 ILE 43 0.831 -6.616 -1.830 367 HD13 ILE 43 2HD1 ILE 43 1.834 -5.167 -1.814 368 H ASN 44 HN ASN 44 3.245 -8.661 -5.923 369 HA ASN 44 HA ASN 44 2.895 -6.980 -8.151 370 HB2 ASN 44 2HB ASN 44 3.973 -9.770 -7.866 371 HB3 ASN 44 1HB ASN 44 3.829 -9.008 -9.444 372 HD21 ASN 44 1HD2 ASN 44 5.541 -9.083 -6.446 373 HD22 ASN 44 2HD2 ASN 44 6.798 -7.987 -6.917 374 H GLY 45 HN GLY 45 1.225 -9.886 -7.131 375 HA2 GLY 45 2HA GLY 45 -0.205 -10.405 -9.493 376 HA3 GLY 45 1HA GLY 45 -0.712 -10.862 -7.872 377 H TYR 46 HN TYR 46 -1.097 -8.515 -6.624 378 HA TYR 46 HA TYR 46 -3.622 -7.673 -7.450 379 HB2 TYR 46 2HB TYR 46 -1.638 -6.069 -5.817 380 HB3 TYR 46 1HB TYR 46 -3.377 -5.833 -5.861 381 HD1 TYR 46 2HD TYR 46 -4.007 -8.903 -5.751 382 HD2 TYR 46 1HD TYR 46 -1.503 -6.341 -3.452 383 HE1 TYR 46 2HE TYR 46 -4.243 -10.409 -3.821 384 HE2 TYR 46 1HE TYR 46 -1.733 -7.840 -1.522 385 HH TYR 46 HH TYR 46 -3.320 -9.512 -0.687 386 H ILE 47 HN ILE 47 -0.489 -6.062 -7.816 387 HA ILE 47 HA ILE 47 -1.313 -3.792 -9.189 388 HB ILE 47 HB ILE 47 1.313 -5.282 -9.439 389 HG12 ILE 47 2HG1 ILE 47 0.547 -2.908 -7.722 390 HG13 ILE 47 1HG1 ILE 47 0.730 -4.559 -7.142 391 HG21 ILE 47 1HG2 ILE 47 0.643 -2.441 -10.206 392 HG22 ILE 47 2HG2 ILE 47 0.986 -3.762 -11.321 393 HG23 ILE 47 3HG2 ILE 47 2.249 -3.167 -10.243 394 HD11 ILE 47 3HD1 ILE 47 2.683 -3.208 -6.624 395 HD12 ILE 47 1HD1 ILE 47 2.907 -2.858 -8.337 396 HD13 ILE 47 2HD1 ILE 47 3.094 -4.507 -7.743 397 H GLN 48 HN GLN 48 -0.203 -6.908 -10.520 398 HA GLN 48 HA GLN 48 -0.421 -6.203 -13.221 399 HB2 GLN 48 2HB GLN 48 -0.615 -8.897 -11.885 400 HB3 GLN 48 1HB GLN 48 -0.617 -8.685 -13.630 401 HG2 GLN 48 2HG GLN 48 1.587 -7.604 -13.472 402 HG3 GLN 48 1HG GLN 48 1.586 -7.909 -11.737 403 HE21 GLN 48 1HE2 GLN 48 1.879 -9.999 -10.990 404 HE22 GLN 48 2HE2 GLN 48 2.450 -11.274 -12.008 405 H LYS 49 HN LYS 49 -2.830 -7.610 -11.025 406 HA LYS 49 HA LYS 49 -4.807 -8.040 -12.986 407 HB2 LYS 49 2HB LYS 49 -5.095 -7.510 -10.029 408 HB3 LYS 49 1HB LYS 49 -6.418 -7.996 -11.073 409 HG2 LYS 49 2HG LYS 49 -5.037 -10.049 -11.626 410 HG3 LYS 49 1HG LYS 49 -3.989 -9.575 -10.287 411 HD2 LYS 49 2HD LYS 49 -5.565 -11.146 -9.424 412 HD3 LYS 49 1HD LYS 49 -6.036 -9.554 -8.826 413 HE2 LYS 49 2HE LYS 49 -7.704 -9.394 -10.638 414 HE3 LYS 49 1HE LYS 49 -7.251 -11.008 -11.177 415 HZ1 LYS 49 3HZ LYS 49 -8.569 -10.238 -8.638 416 HZ2 LYS 49 1HZ LYS 49 -7.904 -11.779 -8.903 417 HZ3 LYS 49 2HZ LYS 49 -9.169 -11.224 -9.873 418 H ILE 50 HN ILE 50 -4.097 -5.260 -10.936 419 HA ILE 50 HA ILE 50 -6.342 -3.729 -11.686 420 HB ILE 50 HB ILE 50 -3.645 -2.773 -10.701 421 HG12 ILE 50 2HG1 ILE 50 -6.201 -3.251 -9.155 422 HG13 ILE 50 1HG1 ILE 50 -4.862 -4.391 -9.219 423 HG21 ILE 50 1HG2 ILE 50 -6.317 -1.362 -10.772 424 HG22 ILE 50 2HG2 ILE 50 -4.908 -0.973 -11.759 425 HG23 ILE 50 3HG2 ILE 50 -4.851 -0.743 -10.011 426 HD11 ILE 50 3HD1 ILE 50 -4.819 -3.088 -7.178 427 HD12 ILE 50 1HD1 ILE 50 -4.757 -1.596 -8.114 428 HD13 ILE 50 2HD1 ILE 50 -3.409 -2.731 -8.176 429 H LYS 51 HN LYS 51 -2.997 -3.751 -12.912 430 HA LYS 51 HA LYS 51 -3.374 -1.694 -14.807 431 HB2 LYS 51 2HB LYS 51 -1.381 -3.960 -14.862 432 HB3 LYS 51 1HB LYS 51 -1.304 -2.516 -15.857 433 HG2 LYS 51 2HG LYS 51 -1.217 -1.204 -13.690 434 HG3 LYS 51 1HG LYS 51 -0.942 -2.749 -12.889 435 HD2 LYS 51 2HD LYS 51 0.763 -1.560 -15.078 436 HD3 LYS 51 1HD LYS 51 1.168 -1.608 -13.363 437 HE2 LYS 51 2HE LYS 51 1.225 -4.031 -13.415 438 HE3 LYS 51 1HE LYS 51 0.703 -4.031 -15.098 439 HZ1 LYS 51 3HZ LYS 51 3.088 -4.363 -14.881 440 HZ2 LYS 51 1HZ LYS 51 3.244 -2.872 -14.097 441 HZ3 LYS 51 2HZ LYS 51 2.743 -2.929 -15.710 442 H SER 52 HN SER 52 -3.954 -5.135 -14.961 443 HA SER 52 HA SER 52 -4.301 -5.192 -17.800 444 HB2 SER 52 2HB SER 52 -5.155 -7.199 -15.708 445 HB3 SER 52 1HB SER 52 -5.086 -7.485 -17.447 446 HG SER 52 HG SER 52 -2.967 -7.068 -15.623 447 H GLY 53 HN GLY 53 -6.365 -4.574 -15.071 448 HA2 GLY 53 2HA GLY 53 -8.426 -3.387 -15.375 449 HA3 GLY 53 1HA GLY 53 -8.594 -4.153 -16.948 450 H GLU 54 HN GLU 54 -7.520 -6.259 -14.555 451 HA GLU 54 HA GLU 54 -9.890 -7.832 -14.650 452 HB2 GLU 54 2HB GLU 54 -7.525 -8.006 -12.773 453 HB3 GLU 54 1HB GLU 54 -8.734 -9.258 -13.019 454 HG2 GLU 54 2HG GLU 54 -6.931 -8.229 -15.193 455 HG3 GLU 54 1HG GLU 54 -6.559 -9.627 -14.188 456 H GLU 55 HN GLU 55 -8.345 -5.812 -12.193 457 HA GLU 55 HA GLU 55 -10.936 -5.290 -10.975 458 HB2 GLU 55 2HB GLU 55 -8.558 -6.376 -9.454 459 HB3 GLU 55 1HB GLU 55 -9.913 -5.575 -8.678 460 HG2 GLU 55 2HG GLU 55 -11.380 -7.348 -9.728 461 HG3 GLU 55 1HG GLU 55 -9.891 -8.191 -10.146 462 H ASP 56 HN ASP 56 -10.498 -3.624 -9.095 463 HA ASP 56 HA ASP 56 -8.489 -1.687 -10.043 464 HB2 ASP 56 2HB ASP 56 -10.801 -0.909 -10.472 465 HB3 ASP 56 1HB ASP 56 -11.179 -1.109 -8.766 466 H PHE 57 HN PHE 57 -7.603 -0.297 -8.313 467 HA PHE 57 HA PHE 57 -6.561 -1.830 -6.250 468 HB2 PHE 57 2HB PHE 57 -5.599 0.297 -7.186 469 HB3 PHE 57 1HB PHE 57 -6.768 1.179 -6.214 470 HD1 PHE 57 2HD PHE 57 -4.137 -1.435 -5.845 471 HD2 PHE 57 1HD PHE 57 -6.111 1.916 -4.128 472 HE1 PHE 57 2HE PHE 57 -2.569 -1.484 -3.954 473 HE2 PHE 57 1HE PHE 57 -4.545 1.873 -2.233 474 HZ PHE 57 HZ PHE 57 -2.772 0.174 -2.146 475 H GLU 58 HN GLU 58 -9.575 -0.080 -6.326 476 HA GLU 58 HA GLU 58 -10.026 0.342 -3.614 477 HB2 GLU 58 2HB GLU 58 -11.988 -0.349 -5.795 478 HB3 GLU 58 1HB GLU 58 -12.474 0.097 -4.167 479 HG2 GLU 58 2HG GLU 58 -11.323 2.263 -4.463 480 HG3 GLU 58 1HG GLU 58 -10.968 1.807 -6.128 481 H SER 59 HN SER 59 -10.811 -2.601 -5.511 482 HA SER 59 HA SER 59 -11.918 -3.918 -3.239 483 HB2 SER 59 2HB SER 59 -11.841 -5.956 -4.714 484 HB3 SER 59 1HB SER 59 -12.693 -4.582 -5.415 485 HG SER 59 HG SER 59 -10.791 -5.918 -6.531 486 H LEU 60 HN LEU 60 -8.788 -3.949 -4.828 487 HA LEU 60 HA LEU 60 -7.661 -6.060 -3.349 488 HB2 LEU 60 2HB LEU 60 -6.415 -3.755 -4.826 489 HB3 LEU 60 1HB LEU 60 -5.448 -4.943 -3.985 490 HG LEU 60 HG LEU 60 -5.451 -5.539 -6.281 491 HD11 LEU 60 1HD1 LEU 60 -7.424 -7.333 -4.897 492 HD12 LEU 60 2HD1 LEU 60 -5.671 -7.403 -4.728 493 HD13 LEU 60 3HD1 LEU 60 -6.422 -7.746 -6.286 494 HD21 LEU 60 3HD2 LEU 60 -7.473 -5.940 -7.578 495 HD22 LEU 60 1HD2 LEU 60 -7.379 -4.270 -7.019 496 HD23 LEU 60 2HD2 LEU 60 -8.455 -5.412 -6.211 497 H ALA 61 HN ALA 61 -7.582 -2.551 -2.815 498 HA ALA 61 HA ALA 61 -5.952 -2.769 -0.487 499 HB1 ALA 61 1HB ALA 61 -6.283 -0.416 -0.218 500 HB2 ALA 61 2HB ALA 61 -7.661 -0.436 -1.318 501 HB3 ALA 61 3HB ALA 61 -6.039 -0.759 -1.931 502 H SER 62 HN SER 62 -9.207 -3.423 -0.987 503 HA SER 62 HA SER 62 -9.911 -2.783 1.782 504 HB2 SER 62 2HB SER 62 -11.696 -3.675 -0.491 505 HB3 SER 62 1HB SER 62 -12.235 -3.188 1.114 506 HG SER 62 HG SER 62 -10.966 -1.598 -0.863 507 H GLN 63 HN GLN 63 -10.104 -5.513 -0.511 508 HA GLN 63 HA GLN 63 -10.657 -7.275 1.767 509 HB2 GLN 63 2HB GLN 63 -11.071 -7.702 -1.186 510 HB3 GLN 63 1HB GLN 63 -11.455 -8.879 0.063 511 HG2 GLN 63 2HG GLN 63 -13.072 -7.345 1.037 512 HG3 GLN 63 1HG GLN 63 -12.666 -6.133 -0.171 513 HE21 GLN 63 1HE2 GLN 63 -12.455 -8.117 -2.317 514 HE22 GLN 63 2HE2 GLN 63 -14.075 -8.567 -2.701 515 H PHE 64 HN PHE 64 -8.009 -6.363 0.009 516 HA PHE 64 HA PHE 64 -6.725 -8.966 0.518 517 HB2 PHE 64 2HB PHE 64 -6.291 -7.156 -1.868 518 HB3 PHE 64 1HB PHE 64 -5.280 -8.542 -1.482 519 HD1 PHE 64 2HD PHE 64 -8.687 -7.514 -2.483 520 HD2 PHE 64 1HD PHE 64 -5.938 -10.730 -2.062 521 HE1 PHE 64 2HE PHE 64 -10.197 -8.964 -3.759 522 HE2 PHE 64 1HE PHE 64 -7.448 -12.191 -3.339 523 HZ PHE 64 HZ PHE 64 -9.583 -11.308 -4.190 524 H SER 65 HN SER 65 -6.903 -6.227 1.889 525 HA SER 65 HA SER 65 -4.006 -5.842 2.183 526 HB2 SER 65 2HB SER 65 -5.107 -3.970 0.952 527 HB3 SER 65 1HB SER 65 -6.112 -3.683 2.367 528 HG SER 65 HG SER 65 -4.355 -2.309 2.441 529 H ASP 66 HN ASP 66 -3.251 -5.362 4.228 530 HA ASP 66 HA ASP 66 -4.972 -6.172 6.439 531 HB2 ASP 66 2HB ASP 66 -2.845 -7.237 6.444 532 HB3 ASP 66 1HB ASP 66 -2.001 -5.724 6.146 533 H SER 67 HN SER 67 -3.888 -3.354 4.940 534 HA SER 67 HA SER 67 -3.486 -1.552 7.013 535 HB2 SER 67 2HB SER 67 -4.774 -1.045 4.324 536 HB3 SER 67 1HB SER 67 -4.095 0.187 5.388 537 HG SER 67 HG SER 67 -2.244 -1.647 5.079 538 H SER 68 HN SER 68 -4.775 -0.488 8.399 539 HA SER 68 HA SER 68 -7.372 -1.357 8.956 540 HB2 SER 68 2HB SER 68 -6.175 1.309 9.726 541 HB3 SER 68 1HB SER 68 -7.436 0.417 10.579 542 HG SER 68 HG SER 68 -4.875 0.286 11.012 543 H SER 69 HN SER 69 -6.188 1.081 6.794 544 HA SER 69 HA SER 69 -8.560 2.585 6.484 545 HB2 SER 69 2HB SER 69 -6.412 2.209 4.401 546 HB3 SER 69 1HB SER 69 -7.478 3.597 4.617 547 HG SER 69 HG SER 69 -6.436 3.972 6.630 548 H ALA 70 HN ALA 70 -7.945 -0.604 5.649 549 HA ALA 70 HA ALA 70 -8.977 -0.947 3.088 550 HB1 ALA 70 1HB ALA 70 -7.851 -2.718 4.345 551 HB2 ALA 70 2HB ALA 70 -9.419 -3.260 3.742 552 HB3 ALA 70 3HB ALA 70 -9.230 -2.820 5.439 553 H LYS 71 HN LYS 71 -10.632 -0.376 6.086 554 HA LYS 71 HA LYS 71 -13.214 -1.178 5.200 555 HB2 LYS 71 2HB LYS 71 -12.399 0.661 7.448 556 HB3 LYS 71 1HB LYS 71 -14.016 0.019 7.205 557 HG2 LYS 71 2HG LYS 71 -13.174 -2.248 7.503 558 HG3 LYS 71 1HG LYS 71 -11.541 -1.617 7.723 559 HD2 LYS 71 2HD LYS 71 -12.276 -0.400 9.705 560 HD3 LYS 71 1HD LYS 71 -13.917 -1.009 9.477 561 HE2 LYS 71 2HE LYS 71 -13.090 -3.303 9.747 562 HE3 LYS 71 1HE LYS 71 -11.461 -2.683 9.997 563 HZ1 LYS 71 3HZ LYS 71 -12.533 -3.184 12.086 564 HZ2 LYS 71 1HZ LYS 71 -13.813 -2.143 11.723 565 HZ3 LYS 71 2HZ LYS 71 -12.258 -1.523 11.969 566 H ALA 72 HN ALA 72 -11.283 1.545 4.616 567 HA ALA 72 HA ALA 72 -13.579 3.066 3.572 568 HB1 ALA 72 1HB ALA 72 -12.161 5.061 3.790 569 HB2 ALA 72 2HB ALA 72 -10.859 4.062 4.435 570 HB3 ALA 72 3HB ALA 72 -12.361 4.243 5.341 571 H ARG 73 HN ARG 73 -12.160 0.844 2.300 572 HA ARG 73 HA ARG 73 -11.580 0.238 0.206 573 HB2 ARG 73 2HB ARG 73 -11.978 3.161 -0.369 574 HB3 ARG 73 1HB ARG 73 -11.413 2.041 -1.600 575 HG2 ARG 73 2HG ARG 73 -13.431 0.732 -1.380 576 HG3 ARG 73 1HG ARG 73 -13.990 1.771 -0.070 577 HD2 ARG 73 2HD ARG 73 -13.377 2.776 -2.836 578 HD3 ARG 73 1HD ARG 73 -14.977 2.230 -2.339 579 HE ARG 73 HE ARG 73 -14.313 4.067 -0.453 580 HH11 ARG 73 1HH1 ARG 73 -14.306 4.158 -3.963 581 HH12 ARG 73 2HH1 ARG 73 -14.810 5.814 -4.037 582 HH21 ARG 73 1HH2 ARG 73 -14.950 6.252 -0.552 583 HH22 ARG 73 2HH2 ARG 73 -15.164 7.018 -2.091 584 H GLY 74 HN GLY 74 -9.700 1.562 2.309 585 HA2 GLY 74 2HA GLY 74 -7.406 1.212 2.495 586 HA3 GLY 74 1HA GLY 74 -7.329 0.945 0.763 587 H ASP 75 HN ASP 75 -9.047 3.725 1.260 588 HA ASP 75 HA ASP 75 -6.779 5.293 0.396 589 HB2 ASP 75 2HB ASP 75 -8.982 5.532 -0.708 590 HB3 ASP 75 1HB ASP 75 -9.639 6.170 0.797 591 H LEU 76 HN LEU 76 -5.831 6.961 1.461 592 HA LEU 76 HA LEU 76 -6.305 7.068 4.345 593 HB2 LEU 76 2HB LEU 76 -4.086 8.109 2.597 594 HB3 LEU 76 1HB LEU 76 -4.193 8.457 4.309 595 HG LEU 76 HG LEU 76 -3.996 5.667 3.186 596 HD11 LEU 76 1HD1 LEU 76 -1.829 7.440 4.311 597 HD12 LEU 76 2HD1 LEU 76 -1.992 6.944 2.626 598 HD13 LEU 76 3HD1 LEU 76 -1.653 5.742 3.870 599 HD21 LEU 76 3HD2 LEU 76 -5.002 5.799 5.399 600 HD22 LEU 76 1HD2 LEU 76 -3.652 6.780 5.970 601 HD23 LEU 76 2HD2 LEU 76 -3.385 5.103 5.494 602 H GLY 77 HN GLY 77 -7.140 8.738 1.567 603 HA2 GLY 77 2HA GLY 77 -8.417 10.651 1.365 604 HA3 GLY 77 1HA GLY 77 -8.224 10.928 3.093 605 H ALA 78 HN ALA 78 -7.928 13.172 2.294 606 HA ALA 78 HA ALA 78 -5.400 13.717 1.011 607 HB1 ALA 78 1HB ALA 78 -6.076 16.048 1.101 608 HB2 ALA 78 2HB ALA 78 -7.444 15.628 2.130 609 HB3 ALA 78 3HB ALA 78 -7.388 15.055 0.465 610 H PHE 79 HN PHE 79 -3.646 13.534 2.204 611 HA PHE 79 HA PHE 79 -3.726 14.638 4.922 612 HB2 PHE 79 2HB PHE 79 -1.867 13.077 5.486 613 HB3 PHE 79 1HB PHE 79 -3.355 12.250 5.060 614 HD1 PHE 79 2HD PHE 79 -3.522 11.010 2.952 615 HD2 PHE 79 1HD PHE 79 0.113 12.872 4.151 616 HE1 PHE 79 2HE PHE 79 -2.291 9.654 1.312 617 HE2 PHE 79 1HE PHE 79 1.351 11.516 2.515 618 HZ PHE 79 HZ PHE 79 0.149 9.904 1.093 619 H SER 80 HN SER 80 -1.303 15.104 5.596 620 HA SER 80 HA SER 80 -0.181 16.727 3.425 621 HB2 SER 80 2HB SER 80 -1.422 17.979 5.284 622 HB3 SER 80 1HB SER 80 -0.109 17.483 6.350 623 HG SER 80 HG SER 80 0.068 19.065 3.996 624 H ARG 81 HN ARG 81 2.094 17.563 4.545 625 HA ARG 81 HA ARG 81 3.734 15.220 4.533 626 HB2 ARG 81 2HB ARG 81 5.590 16.874 4.954 627 HB3 ARG 81 1HB ARG 81 4.639 17.172 3.507 628 HG2 ARG 81 2HG ARG 81 3.413 18.928 4.630 629 HG3 ARG 81 1HG ARG 81 4.266 18.592 6.136 630 HD2 ARG 81 2HD ARG 81 6.354 19.272 5.161 631 HD3 ARG 81 1HD ARG 81 5.603 19.446 3.575 632 HE ARG 81 HE ARG 81 4.156 21.166 4.965 633 HH11 ARG 81 1HH1 ARG 81 7.625 20.667 5.063 634 HH12 ARG 81 2HH1 ARG 81 7.983 22.323 5.395 635 HH21 ARG 81 1HH2 ARG 81 4.623 23.353 5.402 636 HH22 ARG 81 2HH2 ARG 81 6.267 23.865 5.584 637 H GLY 82 HN GLY 82 5.046 14.435 6.214 638 HA2 GLY 82 2HA GLY 82 5.659 14.004 8.395 639 HA3 GLY 82 1HA GLY 82 4.938 15.538 8.858 640 H GLN 83 HN GLN 83 3.321 12.909 7.178 641 HA GLN 83 HA GLN 83 1.669 12.480 9.587 642 HB2 GLN 83 2HB GLN 83 0.703 12.673 6.732 643 HB3 GLN 83 1HB GLN 83 -0.291 12.175 8.092 644 HG2 GLN 83 2HG GLN 83 1.018 14.866 7.757 645 HG3 GLN 83 1HG GLN 83 -0.684 14.501 7.482 646 HE21 GLN 83 1HE2 GLN 83 0.531 16.387 9.326 647 HE22 GLN 83 2HE2 GLN 83 -0.008 15.931 10.904 648 H MET 84 HN MET 84 3.378 11.120 6.914 649 HA MET 84 HA MET 84 2.576 8.436 7.826 650 HB2 MET 84 2HB MET 84 1.338 8.910 5.781 651 HB3 MET 84 1HB MET 84 2.813 9.379 4.957 652 HG2 MET 84 2HG MET 84 2.011 7.155 4.306 653 HG3 MET 84 1HG MET 84 3.623 7.118 5.017 654 HE1 MET 84 3HE MET 84 0.106 7.428 6.802 655 HE2 MET 84 1HE MET 84 -0.221 5.734 7.171 656 HE3 MET 84 2HE MET 84 -0.170 6.276 5.495 657 H GLN 85 HN GLN 85 4.151 6.727 7.129 658 HA GLN 85 HA GLN 85 6.745 7.227 7.945 659 HB2 GLN 85 2HB GLN 85 5.832 5.089 6.012 660 HB3 GLN 85 1HB GLN 85 7.347 5.081 6.900 661 HG2 GLN 85 2HG GLN 85 4.586 4.932 8.088 662 HG3 GLN 85 1HG GLN 85 5.737 3.606 7.932 663 HE21 GLN 85 1HE2 GLN 85 7.531 3.532 9.286 664 HE22 GLN 85 2HE2 GLN 85 7.620 4.486 10.726 665 H LYS 86 HN LYS 86 8.649 7.737 6.950 666 HA LYS 86 HA LYS 86 8.571 9.562 4.893 667 HB2 LYS 86 2HB LYS 86 10.415 9.360 6.527 668 HB3 LYS 86 1HB LYS 86 10.991 7.934 5.685 669 HG2 LYS 86 2HG LYS 86 12.318 9.811 5.021 670 HG3 LYS 86 1HG LYS 86 11.314 9.323 3.653 671 HD2 LYS 86 2HD LYS 86 9.741 11.119 4.147 672 HD3 LYS 86 1HD LYS 86 10.697 11.586 5.555 673 HE2 LYS 86 2HE LYS 86 12.602 12.061 4.057 674 HE3 LYS 86 1HE LYS 86 11.585 11.669 2.675 675 HZ1 LYS 86 3HZ LYS 86 10.128 13.495 3.258 676 HZ2 LYS 86 1HZ LYS 86 11.710 14.057 3.074 677 HZ3 LYS 86 2HZ LYS 86 11.055 13.850 4.617 678 HA PRO 87 HA PRO 87 10.268 6.138 1.747 679 HB2 PRO 87 2HB PRO 87 8.808 3.802 2.880 680 HB3 PRO 87 1HB PRO 87 10.395 3.868 2.104 681 HG2 PRO 87 2HG PRO 87 10.206 3.589 4.733 682 HG3 PRO 87 1HG PRO 87 11.448 4.640 4.025 683 HD2 PRO 87 2HD PRO 87 8.864 5.375 5.339 684 HD3 PRO 87 1HD PRO 87 10.452 6.158 5.454 685 H PHE 88 HN PHE 88 7.122 6.085 3.279 686 HA PHE 88 HA PHE 88 5.755 5.486 0.779 687 HB2 PHE 88 2HB PHE 88 4.987 4.460 2.913 688 HB3 PHE 88 1HB PHE 88 4.630 6.064 3.534 689 HD1 PHE 88 2HD PHE 88 2.867 7.451 2.264 690 HD2 PHE 88 1HD PHE 88 3.387 3.261 1.732 691 HE1 PHE 88 2HE PHE 88 0.603 7.297 1.325 692 HE2 PHE 88 1HE PHE 88 1.118 3.102 0.793 693 HZ PHE 88 HZ PHE 88 -0.273 5.125 0.587 694 H GLU 89 HN GLU 89 5.817 8.059 3.220 695 HA GLU 89 HA GLU 89 4.065 9.831 1.950 696 HB2 GLU 89 2HB GLU 89 4.731 9.948 4.318 697 HB3 GLU 89 1HB GLU 89 6.342 10.445 3.830 698 HG2 GLU 89 2HG GLU 89 5.426 12.474 2.849 699 HG3 GLU 89 1HG GLU 89 3.804 11.976 3.332 700 H ASP 90 HN ASP 90 7.617 9.729 1.937 701 HA ASP 90 HA ASP 90 7.955 11.993 0.291 702 HB2 ASP 90 2HB ASP 90 9.747 11.040 1.701 703 HB3 ASP 90 1HB ASP 90 9.821 9.641 0.637 704 H ALA 91 HN ALA 91 7.430 8.616 -0.404 705 HA ALA 91 HA ALA 91 8.010 8.790 -3.183 706 HB1 ALA 91 1HB ALA 91 6.924 6.608 -3.348 707 HB2 ALA 91 2HB ALA 91 6.318 6.780 -1.700 708 HB3 ALA 91 3HB ALA 91 8.051 6.654 -1.993 709 H SER 92 HN SER 92 5.124 9.166 -1.208 710 HA SER 92 HA SER 92 3.199 9.239 -3.229 711 HB2 SER 92 2HB SER 92 3.216 10.771 -0.616 712 HB3 SER 92 1HB SER 92 1.797 10.436 -1.609 713 HG SER 92 HG SER 92 3.464 8.446 -0.441 714 H PHE 93 HN PHE 93 5.136 11.866 -1.814 715 HA PHE 93 HA PHE 93 4.020 13.892 -3.468 716 HB2 PHE 93 2HB PHE 93 6.559 13.786 -1.841 717 HB3 PHE 93 1HB PHE 93 6.083 15.205 -2.766 718 HD1 PHE 93 2HD PHE 93 3.840 16.273 -2.229 719 HD2 PHE 93 1HD PHE 93 5.725 13.429 0.311 720 HE1 PHE 93 2HE PHE 93 2.459 17.047 -0.346 721 HE2 PHE 93 1HE PHE 93 4.347 14.199 2.198 722 HZ PHE 93 HZ PHE 93 2.714 16.008 1.872 723 H ALA 94 HN ALA 94 6.587 11.596 -3.884 724 HA ALA 94 HA ALA 94 7.818 12.925 -6.106 725 HB1 ALA 94 1HB ALA 94 9.105 10.870 -6.367 726 HB2 ALA 94 2HB ALA 94 8.053 10.054 -5.210 727 HB3 ALA 94 3HB ALA 94 9.081 11.387 -4.681 728 H LEU 95 HN LEU 95 5.281 10.569 -5.683 729 HA LEU 95 HA LEU 95 5.120 9.753 -8.411 730 HB2 LEU 95 2HB LEU 95 3.023 9.659 -6.242 731 HB3 LEU 95 1HB LEU 95 2.932 8.824 -7.778 732 HG LEU 95 HG LEU 95 4.961 8.283 -5.612 733 HD11 LEU 95 1HD1 LEU 95 2.592 6.646 -6.496 734 HD12 LEU 95 2HD1 LEU 95 2.661 7.629 -5.034 735 HD13 LEU 95 3HD1 LEU 95 3.740 6.248 -5.215 736 HD21 LEU 95 3HD2 LEU 95 5.543 6.322 -6.964 737 HD22 LEU 95 1HD2 LEU 95 5.847 7.822 -7.838 738 HD23 LEU 95 2HD2 LEU 95 4.423 6.853 -8.217 739 H ARG 96 HN ARG 96 3.075 10.122 -9.673 740 HA ARG 96 HA ARG 96 2.419 12.981 -9.603 741 HB2 ARG 96 2HB ARG 96 1.708 12.652 -11.962 742 HB3 ARG 96 1HB ARG 96 3.403 12.269 -11.699 743 HG2 ARG 96 2HG ARG 96 2.859 9.890 -11.642 744 HG3 ARG 96 1HG ARG 96 1.157 10.278 -11.901 745 HD2 ARG 96 2HD ARG 96 1.656 11.210 -14.065 746 HD3 ARG 96 1HD ARG 96 3.386 10.988 -13.800 747 HE ARG 96 HE ARG 96 2.725 8.508 -13.609 748 HH11 ARG 96 1HH1 ARG 96 1.176 10.827 -15.761 749 HH12 ARG 96 2HH1 ARG 96 0.746 9.639 -16.938 750 HH21 ARG 96 1HH2 ARG 96 2.151 6.941 -15.183 751 HH22 ARG 96 2HH2 ARG 96 1.294 7.414 -16.603 752 H THR 97 HN THR 97 0.134 13.400 -10.560 753 HA THR 97 HA THR 97 -1.758 12.184 -8.833 754 HB THR 97 HB THR 97 -2.197 13.957 -11.253 755 HG1 THR 97 1HG THR 97 -2.091 14.568 -8.460 756 HG21 THR 97 3HG2 THR 97 -4.234 12.749 -10.619 757 HG22 THR 97 1HG2 THR 97 -4.371 14.461 -10.219 758 HG23 THR 97 2HG2 THR 97 -4.038 13.281 -8.949 759 H GLY 98 HN GLY 98 -2.612 10.230 -9.099 760 HA2 GLY 98 2HA GLY 98 -3.791 8.551 -10.203 761 HA3 GLY 98 1HA GLY 98 -3.481 9.367 -11.733 762 H GLU 99 HN GLU 99 -1.273 8.286 -9.193 763 HA GLU 99 HA GLU 99 0.036 6.550 -11.181 764 HB2 GLU 99 2HB GLU 99 1.321 8.627 -10.741 765 HB3 GLU 99 1HB GLU 99 1.401 8.185 -9.044 766 HG2 GLU 99 2HG GLU 99 3.469 7.610 -10.065 767 HG3 GLU 99 1HG GLU 99 2.606 6.117 -9.699 768 H MET 100 HN MET 100 0.341 4.519 -10.551 769 HA MET 100 HA MET 100 -0.081 3.874 -7.723 770 HB2 MET 100 2HB MET 100 -1.701 2.886 -9.331 771 HB3 MET 100 1HB MET 100 -0.368 2.068 -10.129 772 HG2 MET 100 2HG MET 100 0.069 0.748 -8.173 773 HG3 MET 100 1HG MET 100 -1.124 1.656 -7.245 774 HE1 MET 100 3HE MET 100 -0.532 -0.794 -10.222 775 HE2 MET 100 1HE MET 100 -1.504 0.454 -11.000 776 HE3 MET 100 2HE MET 100 -2.174 -1.159 -10.752 777 H SER 101 HN SER 101 1.777 3.678 -6.732 778 HA SER 101 HA SER 101 4.221 3.038 -8.057 779 HB2 SER 101 2HB SER 101 4.172 4.546 -6.133 780 HB3 SER 101 1HB SER 101 3.560 3.246 -5.113 781 HG SER 101 HG SER 101 5.489 2.260 -5.171 782 H GLY 102 HN GLY 102 5.580 1.244 -7.573 783 HA2 GLY 102 2HA GLY 102 4.110 -1.226 -7.430 784 HA3 GLY 102 1HA GLY 102 5.834 -1.042 -7.720 785 HA PRO 103 HA PRO 103 5.382 -2.878 -3.527 786 HB2 PRO 103 2HB PRO 103 8.002 -4.023 -4.236 787 HB3 PRO 103 1HB PRO 103 6.533 -4.837 -3.690 788 HG2 PRO 103 2HG PRO 103 7.376 -5.038 -6.225 789 HG3 PRO 103 1HG PRO 103 5.650 -4.964 -5.823 790 HD2 PRO 103 2HD PRO 103 7.449 -2.801 -6.846 791 HD3 PRO 103 1HD PRO 103 5.784 -3.200 -7.320 792 H VAL 104 HN VAL 104 5.733 -1.104 -2.258 793 HA VAL 104 HA VAL 104 8.478 -0.092 -2.021 794 HB VAL 104 HB VAL 104 5.899 1.021 -0.873 795 HG11 VAL 104 1HG1 VAL 104 8.683 2.189 -0.896 796 HG12 VAL 104 2HG1 VAL 104 7.825 1.576 0.517 797 HG13 VAL 104 3HG1 VAL 104 7.228 3.007 -0.323 798 HG21 VAL 104 3HG2 VAL 104 6.170 2.801 -2.540 799 HG22 VAL 104 1HG2 VAL 104 5.981 1.220 -3.299 800 HG23 VAL 104 2HG2 VAL 104 7.577 1.966 -3.197 801 H PHE 105 HN PHE 105 9.688 -0.920 -0.457 802 HA PHE 105 HA PHE 105 8.491 -2.576 1.581 803 HB2 PHE 105 2HB PHE 105 11.391 -1.860 1.109 804 HB3 PHE 105 1HB PHE 105 10.806 -3.098 2.216 805 HD1 PHE 105 1HD PHE 105 9.513 -5.054 1.237 806 HD2 PHE 105 2HD PHE 105 11.789 -2.352 -1.138 807 HE1 PHE 105 1HE PHE 105 9.566 -6.706 -0.587 808 HE2 PHE 105 2HE PHE 105 11.845 -3.998 -2.963 809 HZ PHE 105 HZ PHE 105 10.733 -6.177 -2.690 810 H THR 106 HN THR 106 7.940 -1.952 3.544 811 HA THR 106 HA THR 106 9.265 0.382 4.732 812 HB THR 106 HB THR 106 6.330 0.050 5.208 813 HG1 THR 106 1HG THR 106 7.473 0.515 2.750 814 HG21 THR 106 3HG2 THR 106 8.143 2.448 4.838 815 HG22 THR 106 1HG2 THR 106 7.575 1.815 6.381 816 HG23 THR 106 2HG2 THR 106 6.430 2.523 5.246 817 H ASP 107 HN ASP 107 8.076 0.482 7.152 818 HA ASP 107 HA ASP 107 9.308 -1.389 8.716 819 HB2 ASP 107 2HB ASP 107 6.757 0.078 9.404 820 HB3 ASP 107 1HB ASP 107 7.889 -0.625 10.550 821 H SER 108 HN SER 108 5.792 -1.343 8.155 822 HA SER 108 HA SER 108 5.333 -3.807 9.422 823 HB2 SER 108 2HB SER 108 3.103 -3.622 8.124 824 HB3 SER 108 1HB SER 108 3.491 -2.393 9.328 825 HG SER 108 HG SER 108 2.953 -1.202 7.643 826 H GLY 109 HN GLY 109 5.939 -3.004 6.049 827 HA2 GLY 109 2HA GLY 109 6.979 -5.373 5.242 828 HA3 GLY 109 1HA GLY 109 5.245 -5.625 5.104 829 H ILE 110 HN ILE 110 4.971 -5.664 2.952 830 HA ILE 110 HA ILE 110 6.242 -3.625 1.309 831 HB ILE 110 HB ILE 110 4.443 -5.881 0.405 832 HG12 ILE 110 2HG1 ILE 110 7.468 -5.836 0.543 833 HG13 ILE 110 1HG1 ILE 110 6.434 -6.692 1.681 834 HG21 ILE 110 1HG2 ILE 110 6.464 -4.166 -1.044 835 HG22 ILE 110 2HG2 ILE 110 4.711 -4.105 -1.232 836 HG23 ILE 110 3HG2 ILE 110 5.607 -5.534 -1.751 837 HD11 ILE 110 3HD1 ILE 110 7.368 -8.185 0.012 838 HD12 ILE 110 1HD1 ILE 110 6.625 -7.229 -1.270 839 HD13 ILE 110 2HD1 ILE 110 5.611 -8.100 -0.120 840 H HIS 111 HN HIS 111 5.219 -1.897 0.536 841 HA HIS 111 HA HIS 111 2.314 -1.668 1.025 842 HB2 HIS 111 2HB HIS 111 4.440 0.491 1.062 843 HB3 HIS 111 1HB HIS 111 2.715 0.785 1.208 844 HD1 HIS 111 1HD HIS 111 2.758 1.740 3.548 845 HD2 HIS 111 2HD HIS 111 4.573 -1.980 3.304 846 HE1 HIS 111 1HE HIS 111 3.209 1.054 5.913 847 HE2 HIS 111 2HE HIS 111 4.019 -1.299 5.741 848 H ILE 112 HN ILE 112 1.044 -0.879 -0.579 849 HA ILE 112 HA ILE 112 2.347 -0.166 -3.125 850 HB ILE 112 HB ILE 112 -0.531 -1.040 -2.697 851 HG12 ILE 112 2HG1 ILE 112 1.805 -2.597 -3.840 852 HG13 ILE 112 1HG1 ILE 112 1.036 -2.896 -2.283 853 HG21 ILE 112 1HG2 ILE 112 1.052 -0.587 -5.230 854 HG22 ILE 112 2HG2 ILE 112 -0.249 0.433 -4.615 855 HG23 ILE 112 3HG2 ILE 112 -0.596 -1.211 -5.150 856 HD11 ILE 112 3HD1 ILE 112 0.281 -4.503 -3.923 857 HD12 ILE 112 1HD1 ILE 112 -0.238 -3.203 -4.995 858 HD13 ILE 112 2HD1 ILE 112 -1.054 -3.452 -3.452 859 H ILE 113 HN ILE 113 2.164 1.906 -3.766 860 HA ILE 113 HA ILE 113 0.435 3.659 -2.145 861 HB ILE 113 HB ILE 113 2.796 4.543 -3.801 862 HG12 ILE 113 2HG1 ILE 113 2.753 3.870 -0.850 863 HG13 ILE 113 1HG1 ILE 113 3.535 2.906 -2.097 864 HG21 ILE 113 1HG2 ILE 113 1.311 5.847 -1.522 865 HG22 ILE 113 2HG2 ILE 113 1.196 6.285 -3.226 866 HG23 ILE 113 3HG2 ILE 113 2.711 6.521 -2.355 867 HD11 ILE 113 3HD1 ILE 113 5.155 4.239 -0.906 868 HD12 ILE 113 1HD1 ILE 113 4.264 5.710 -1.294 869 HD13 ILE 113 2HD1 ILE 113 5.034 4.783 -2.580 870 H LEU 114 HN LEU 114 -1.357 4.290 -3.159 871 HA LEU 114 HA LEU 114 -1.182 4.807 -6.052 872 HB2 LEU 114 2HB LEU 114 -2.786 3.061 -5.581 873 HB3 LEU 114 1HB LEU 114 -3.568 4.056 -4.368 874 HG LEU 114 HG LEU 114 -4.208 5.655 -6.187 875 HD11 LEU 114 1HD1 LEU 114 -3.231 3.453 -7.988 876 HD12 LEU 114 2HD1 LEU 114 -2.519 5.059 -7.822 877 HD13 LEU 114 3HD1 LEU 114 -4.140 4.876 -8.495 878 HD21 LEU 114 3HD2 LEU 114 -6.026 4.271 -7.058 879 HD22 LEU 114 1HD2 LEU 114 -5.798 4.034 -5.325 880 HD23 LEU 114 2HD2 LEU 114 -5.206 2.826 -6.464 881 H ARG 115 HN ARG 115 -0.692 6.928 -6.188 882 HA ARG 115 HA ARG 115 -1.989 8.808 -4.408 883 HB2 ARG 115 2HB ARG 115 0.346 9.230 -4.981 884 HB3 ARG 115 1HB ARG 115 -0.064 9.293 -6.691 885 HG2 ARG 115 2HG ARG 115 -1.449 11.265 -6.297 886 HG3 ARG 115 1HG ARG 115 -1.063 11.198 -4.580 887 HD2 ARG 115 2HD ARG 115 1.275 11.603 -5.067 888 HD3 ARG 115 1HD ARG 115 0.941 11.579 -6.798 889 HE ARG 115 HE ARG 115 -0.725 13.507 -5.776 890 HH11 ARG 115 1HH1 ARG 115 2.745 12.981 -5.715 891 HH12 ARG 115 2HH1 ARG 115 3.133 14.667 -5.759 892 HH21 ARG 115 1HH2 ARG 115 -0.201 15.743 -5.816 893 HH22 ARG 115 2HH2 ARG 115 1.456 16.235 -5.827 894 H THR 116 HN THR 116 -4.029 9.215 -4.817 895 HA THR 116 HA THR 116 -5.037 9.216 -7.517 896 HB THR 116 HB THR 116 -7.190 9.917 -6.233 897 HG1 THR 116 1HG THR 116 -6.630 8.780 -3.970 898 HG21 THR 116 3HG2 THR 116 -7.616 7.577 -5.610 899 HG22 THR 116 1HG2 THR 116 -5.892 7.227 -5.749 900 HG23 THR 116 2HG2 THR 116 -6.817 7.683 -7.180 901 H GLU 117 HN GLU 117 -4.198 11.513 -5.017 902 HA GLU 117 HA GLU 117 -4.898 13.705 -6.856 903 HB2 GLU 117 2HB GLU 117 -4.801 13.746 -3.838 904 HB3 GLU 117 1HB GLU 117 -5.131 15.129 -4.864 905 HG2 GLU 117 2HG GLU 117 -6.837 12.655 -4.778 906 HG3 GLU 117 1HG GLU 117 -7.147 14.108 -3.833 Start of MODEL 2 1 H1 GLY 1 1HT GLY 1 11.019 29.455 -5.730 2 H2 GLY 1 2HT GLY 1 10.541 30.446 -4.450 3 H3 GLY 1 3HT GLY 1 11.709 30.986 -5.542 4 HA2 GLY 1 1HA GLY 1 9.541 32.008 -5.926 5 HA3 GLY 1 2HA GLY 1 10.116 31.088 -7.308 6 H SER 2 HN SER 2 7.687 31.265 -7.717 7 HA SER 2 HA SER 2 5.912 29.672 -6.162 8 HB2 SER 2 2HB SER 2 5.527 30.476 -9.044 9 HB3 SER 2 1HB SER 2 4.291 30.196 -7.815 10 HG SER 2 HG SER 2 4.485 32.193 -7.227 11 H HIS 3 HN HIS 3 5.552 27.517 -6.264 12 HA HIS 3 HA HIS 3 6.632 26.077 -8.590 13 HB2 HIS 3 2HB HIS 3 6.969 25.518 -5.688 14 HB3 HIS 3 1HB HIS 3 6.826 24.149 -6.784 15 HD1 HIS 3 1HD HIS 3 8.890 23.463 -7.988 16 HD2 HIS 3 2HD HIS 3 9.214 27.258 -6.335 17 HE1 HIS 3 1HE HIS 3 11.286 24.129 -8.306 18 HE2 HIS 3 2HE HIS 3 11.503 26.301 -7.061 19 H MET 4 HN MET 4 5.254 24.883 -9.650 20 HA MET 4 HA MET 4 2.629 24.343 -8.524 21 HB2 MET 4 2HB MET 4 3.802 23.851 -11.271 22 HB3 MET 4 1HB MET 4 2.177 23.370 -10.807 23 HG2 MET 4 2HG MET 4 1.550 25.666 -10.450 24 HG3 MET 4 1HG MET 4 3.200 26.197 -10.766 25 HE1 MET 4 3HE MET 4 0.487 24.289 -13.987 26 HE2 MET 4 1HE MET 4 0.005 24.498 -12.304 27 HE3 MET 4 2HE MET 4 1.281 23.352 -12.723 28 H GLU 5 HN GLU 5 3.651 23.012 -6.900 29 HA GLU 5 HA GLU 5 4.235 20.304 -7.868 30 HB2 GLU 5 2HB GLU 5 6.257 21.513 -7.094 31 HB3 GLU 5 1HB GLU 5 5.500 21.742 -5.531 32 HG2 GLU 5 2HG GLU 5 5.524 19.371 -5.124 33 HG3 GLU 5 1HG GLU 5 6.154 19.073 -6.746 34 HA PRO 6 HA PRO 6 0.810 19.044 -5.310 35 HB2 PRO 6 2HB PRO 6 2.514 16.641 -4.848 36 HB3 PRO 6 1HB PRO 6 0.835 16.737 -5.385 37 HG2 PRO 6 2HG PRO 6 2.760 16.159 -7.114 38 HG3 PRO 6 1HG PRO 6 1.424 17.232 -7.574 39 HD2 PRO 6 2HD PRO 6 4.244 17.913 -6.864 40 HD3 PRO 6 1HD PRO 6 3.175 18.640 -8.084 41 H ALA 7 HN ALA 7 0.824 20.279 -3.484 42 HA ALA 7 HA ALA 7 2.855 19.871 -1.445 43 HB1 ALA 7 1HB ALA 7 1.819 21.744 -0.295 44 HB2 ALA 7 2HB ALA 7 0.483 21.735 -1.445 45 HB3 ALA 7 3HB ALA 7 2.106 22.157 -1.985 46 H ARG 8 HN ARG 8 -0.651 19.592 -1.793 47 HA ARG 8 HA ARG 8 -0.657 17.816 0.546 48 HB2 ARG 8 2HB ARG 8 -2.071 19.916 0.663 49 HB3 ARG 8 1HB ARG 8 -3.035 19.252 -0.647 50 HG2 ARG 8 2HG ARG 8 -3.667 17.368 0.730 51 HG3 ARG 8 1HG ARG 8 -2.632 17.947 2.034 52 HD2 ARG 8 2HD ARG 8 -3.986 19.976 2.206 53 HD3 ARG 8 1HD ARG 8 -5.022 19.398 0.903 54 HE ARG 8 HE ARG 8 -4.974 17.436 2.888 55 HH11 ARG 8 1HH1 ARG 8 -6.094 20.729 2.491 56 HH12 ARG 8 2HH1 ARG 8 -7.404 20.557 3.607 57 HH21 ARG 8 1HH2 ARG 8 -6.711 17.192 4.369 58 HH22 ARG 8 2HH2 ARG 8 -7.754 18.539 4.677 59 H VAL 9 HN VAL 9 -0.690 15.769 -0.027 60 HA VAL 9 HA VAL 9 -1.811 15.081 -2.655 61 HB VAL 9 HB VAL 9 -0.280 13.170 -2.680 62 HG11 VAL 9 1HG1 VAL 9 1.083 15.800 -2.121 63 HG12 VAL 9 2HG1 VAL 9 0.446 15.262 -3.677 64 HG13 VAL 9 3HG1 VAL 9 1.814 14.423 -2.945 65 HG21 VAL 9 3HG2 VAL 9 1.508 12.999 -0.985 66 HG22 VAL 9 1HG2 VAL 9 -0.094 12.752 -0.292 67 HG23 VAL 9 2HG2 VAL 9 0.736 14.291 -0.066 68 H ARG 10 HN ARG 10 -2.703 12.933 -2.858 69 HA ARG 10 HA ARG 10 -3.815 11.850 -0.378 70 HB2 ARG 10 2HB ARG 10 -5.541 13.234 -1.361 71 HB3 ARG 10 1HB ARG 10 -5.298 12.474 -2.921 72 HG2 ARG 10 2HG ARG 10 -6.073 10.335 -1.959 73 HG3 ARG 10 1HG ARG 10 -6.412 11.184 -0.446 74 HD2 ARG 10 2HD ARG 10 -7.934 12.683 -1.662 75 HD3 ARG 10 1HD ARG 10 -7.628 11.769 -3.137 76 HE ARG 10 HE ARG 10 -8.586 10.202 -0.908 77 HH11 ARG 10 1HH1 ARG 10 -9.403 11.982 -3.839 78 HH12 ARG 10 2HH1 ARG 10 -10.999 11.319 -3.936 79 HH21 ARG 10 1HH2 ARG 10 -10.695 9.345 -1.040 80 HH22 ARG 10 2HH2 ARG 10 -11.738 9.806 -2.349 81 H CYS 11 HN CYS 11 -3.401 9.765 -0.247 82 HA CYS 11 HA CYS 11 -3.088 8.234 -2.726 83 HB2 CYS 11 2HB CYS 11 -1.197 8.079 -0.376 84 HB3 CYS 11 1HB CYS 11 -1.102 7.136 -1.856 85 HG CYS 11 HG CYS 11 0.773 9.403 -1.436 86 H SER 12 HN SER 12 -3.697 6.131 -2.627 87 HA SER 12 HA SER 12 -5.064 5.270 -0.186 88 HB2 SER 12 2HB SER 12 -5.150 4.065 -2.968 89 HB3 SER 12 1HB SER 12 -6.196 3.649 -1.609 90 HG SER 12 HG SER 12 -6.216 6.315 -2.131 91 H HIS 13 HN HIS 13 -4.443 3.341 0.852 92 HA HIS 13 HA HIS 13 -1.919 2.207 -0.154 93 HB2 HIS 13 2HB HIS 13 -0.996 2.084 2.074 94 HB3 HIS 13 1HB HIS 13 -1.470 3.741 1.731 95 HD1 HIS 13 1HD HIS 13 -1.820 1.122 4.229 96 HD2 HIS 13 2HD HIS 13 -4.008 4.447 3.052 97 HE1 HIS 13 1HE HIS 13 -3.381 1.599 6.123 98 HE2 HIS 13 2HE HIS 13 -4.480 3.761 5.502 99 H LEU 14 HN LEU 14 -1.744 0.123 -0.255 100 HA LEU 14 HA LEU 14 -3.710 -1.564 1.148 101 HB2 LEU 14 2HB LEU 14 -3.619 -1.582 -1.425 102 HB3 LEU 14 1HB LEU 14 -2.049 -2.333 -1.264 103 HG LEU 14 HG LEU 14 -4.548 -3.572 -0.110 104 HD11 LEU 14 1HD1 LEU 14 -4.885 -3.271 -2.500 105 HD12 LEU 14 2HD1 LEU 14 -4.634 -4.974 -2.112 106 HD13 LEU 14 3HD1 LEU 14 -3.327 -4.032 -2.827 107 HD21 LEU 14 3HD2 LEU 14 -3.235 -5.634 -0.211 108 HD22 LEU 14 1HD2 LEU 14 -2.418 -4.415 0.768 109 HD23 LEU 14 2HD2 LEU 14 -1.867 -4.740 -0.876 110 H LEU 15 HN LEU 15 -2.882 -2.771 2.743 111 HA LEU 15 HA LEU 15 0.047 -2.954 2.894 112 HB2 LEU 15 2HB LEU 15 -0.768 -1.723 4.735 113 HB3 LEU 15 1HB LEU 15 -2.051 -2.879 5.029 114 HG LEU 15 HG LEU 15 -0.365 -4.547 5.732 115 HD11 LEU 15 1HD1 LEU 15 1.581 -2.270 5.433 116 HD12 LEU 15 2HD1 LEU 15 1.540 -3.748 4.471 117 HD13 LEU 15 3HD1 LEU 15 1.924 -3.826 6.190 118 HD21 LEU 15 3HD2 LEU 15 0.202 -3.483 7.867 119 HD22 LEU 15 1HD2 LEU 15 -1.475 -3.198 7.406 120 HD23 LEU 15 2HD2 LEU 15 -0.273 -1.921 7.203 121 H VAL 16 HN VAL 16 0.977 -4.822 2.722 122 HA VAL 16 HA VAL 16 -0.547 -7.231 3.403 123 HB VAL 16 HB VAL 16 -0.070 -7.269 1.017 124 HG11 VAL 16 1HG1 VAL 16 2.814 -6.855 1.761 125 HG12 VAL 16 2HG1 VAL 16 1.769 -5.706 0.922 126 HG13 VAL 16 3HG1 VAL 16 2.219 -7.224 0.142 127 HG21 VAL 16 3HG2 VAL 16 1.232 -9.336 0.840 128 HG22 VAL 16 1HG2 VAL 16 0.095 -9.401 2.185 129 HG23 VAL 16 2HG2 VAL 16 1.805 -9.113 2.492 130 H LYS 17 HN LYS 17 0.101 -8.040 5.248 131 HA LYS 17 HA LYS 17 2.679 -7.281 6.336 132 HB2 LYS 17 2HB LYS 17 0.456 -8.934 7.538 133 HB3 LYS 17 1HB LYS 17 1.900 -8.403 8.393 134 HG2 LYS 17 2HG LYS 17 1.231 -6.063 8.000 135 HG3 LYS 17 1HG LYS 17 -0.246 -6.640 7.232 136 HD2 LYS 17 2HD LYS 17 -0.814 -7.806 9.367 137 HD3 LYS 17 1HD LYS 17 0.595 -7.038 10.103 138 HE2 LYS 17 2HE LYS 17 -0.375 -4.828 9.461 139 HE3 LYS 17 1HE LYS 17 -1.826 -5.675 8.934 140 HZ1 LYS 17 3HZ LYS 17 -2.207 -4.891 11.109 141 HZ2 LYS 17 1HZ LYS 17 -0.735 -5.493 11.679 142 HZ3 LYS 17 2HZ LYS 17 -1.976 -6.559 11.259 143 H HIS 18 HN HIS 18 3.754 -9.150 7.684 144 HA HIS 18 HA HIS 18 3.838 -11.625 6.185 145 HB2 HIS 18 2HB HIS 18 6.294 -11.546 5.873 146 HB3 HIS 18 1HB HIS 18 5.469 -10.285 4.971 147 HD1 HIS 18 1HD HIS 18 8.366 -10.756 6.941 148 HD2 HIS 18 2HD HIS 18 5.550 -7.715 6.629 149 HE1 HIS 18 1HE HIS 18 9.469 -8.710 7.886 150 HE2 HIS 18 2HE HIS 18 7.836 -6.854 7.481 151 H SER 19 HN SER 19 5.335 -13.213 7.226 152 HA SER 19 HA SER 19 4.550 -13.681 9.836 153 HB2 SER 19 2HB SER 19 5.350 -15.424 8.288 154 HB3 SER 19 1HB SER 19 6.985 -14.783 8.420 155 HG SER 19 HG SER 19 7.138 -16.135 10.016 156 H GLN 20 HN GLN 20 7.737 -12.523 8.748 157 HA GLN 20 HA GLN 20 8.609 -12.132 11.473 158 HB2 GLN 20 2HB GLN 20 9.922 -11.703 8.802 159 HB3 GLN 20 1HB GLN 20 10.689 -11.224 10.307 160 HG2 GLN 20 2HG GLN 20 9.847 -14.013 9.550 161 HG3 GLN 20 1HG GLN 20 11.496 -13.385 9.572 162 HE21 GLN 20 1HE2 GLN 20 12.479 -12.954 11.563 163 HE22 GLN 20 2HE2 GLN 20 11.894 -13.647 13.037 164 H SER 21 HN SER 21 6.379 -10.537 10.824 165 HA SER 21 HA SER 21 7.408 -7.827 10.480 166 HB2 SER 21 2HB SER 21 5.333 -8.449 9.308 167 HB3 SER 21 1HB SER 21 4.575 -8.844 10.849 168 HG SER 21 HG SER 21 4.568 -6.534 9.650 169 H ARG 22 HN ARG 22 6.731 -6.147 12.056 170 HA ARG 22 HA ARG 22 7.238 -7.021 14.728 171 HB2 ARG 22 2HB ARG 22 6.875 -4.587 15.323 172 HB3 ARG 22 1HB ARG 22 8.164 -4.906 14.180 173 HG2 ARG 22 2HG ARG 22 7.073 -2.982 13.386 174 HG3 ARG 22 1HG ARG 22 6.507 -4.290 12.352 175 HD2 ARG 22 2HD ARG 22 4.693 -2.766 13.026 176 HD3 ARG 22 1HD ARG 22 4.427 -4.413 13.593 177 HE ARG 22 HE ARG 22 5.721 -3.071 15.643 178 HH11 ARG 22 1HH1 ARG 22 2.681 -2.738 13.912 179 HH12 ARG 22 2HH1 ARG 22 1.829 -2.112 15.281 180 HH21 ARG 22 1HH2 ARG 22 4.592 -2.228 17.445 181 HH22 ARG 22 2HH2 ARG 22 2.923 -1.810 17.295 182 H ARG 23 HN ARG 23 4.508 -6.831 12.841 183 HA ARG 23 HA ARG 23 2.824 -7.518 15.098 184 HB2 ARG 23 2HB ARG 23 2.599 -5.033 14.807 185 HB3 ARG 23 1HB ARG 23 2.023 -5.323 13.176 186 HG2 ARG 23 2HG ARG 23 0.104 -4.932 14.491 187 HG3 ARG 23 1HG ARG 23 0.147 -6.672 14.206 188 HD2 ARG 23 2HD ARG 23 1.281 -5.405 16.686 189 HD3 ARG 23 1HD ARG 23 -0.403 -5.898 16.568 190 HE ARG 23 HE ARG 23 0.512 -8.187 16.093 191 HH11 ARG 23 1HH1 ARG 23 2.329 -5.844 17.984 192 HH12 ARG 23 2HH1 ARG 23 3.162 -7.043 18.907 193 HH21 ARG 23 1HH2 ARG 23 1.646 -9.789 17.323 194 HH22 ARG 23 2HH2 ARG 23 2.786 -9.286 18.518 195 HA PRO 24 HA PRO 24 2.095 -10.026 11.310 196 HB2 PRO 24 2HB PRO 24 2.235 -12.376 12.962 197 HB3 PRO 24 1HB PRO 24 3.388 -11.836 11.740 198 HG2 PRO 24 2HG PRO 24 3.913 -11.914 14.448 199 HG3 PRO 24 1HG PRO 24 4.762 -10.874 13.291 200 HD2 PRO 24 2HD PRO 24 2.530 -10.202 15.168 201 HD3 PRO 24 1HD PRO 24 3.964 -9.248 14.727 202 H SER 25 HN SER 25 0.155 -8.893 13.373 203 HA SER 25 HA SER 25 -1.921 -10.929 13.020 204 HB2 SER 25 2HB SER 25 -2.937 -9.868 15.126 205 HB3 SER 25 1HB SER 25 -1.516 -10.890 15.343 206 HG SER 25 HG SER 25 -1.678 -8.645 16.354 207 H SER 26 HN SER 26 -3.844 -10.263 12.180 208 HA SER 26 HA SER 26 -4.267 -7.382 11.820 209 HB2 SER 26 2HB SER 26 -4.893 -7.692 9.519 210 HB3 SER 26 1HB SER 26 -3.309 -8.433 9.749 211 H TRP 27 HN TRP 27 -6.630 -7.496 10.452 212 HA TRP 27 HA TRP 27 -8.449 -8.451 12.476 213 HB2 TRP 27 2HB TRP 27 -10.186 -7.344 11.081 214 HB3 TRP 27 1HB TRP 27 -8.869 -6.263 11.515 215 HD1 TRP 27 1HD TRP 27 -7.293 -5.391 9.545 216 HE1 TRP 27 1HE TRP 27 -7.584 -5.331 6.990 217 HE3 TRP 27 3HE TRP 27 -11.201 -8.661 9.093 218 HZ2 TRP 27 2HZ TRP 27 -9.244 -6.512 5.041 219 HZ3 TRP 27 3HZ TRP 27 -12.080 -9.139 6.845 220 HH2 TRP 27 2HH TRP 27 -11.120 -8.084 4.865 221 H ARG 28 HN ARG 28 -7.154 -9.558 9.539 222 HA ARG 28 HA ARG 28 -9.378 -11.419 9.094 223 HB2 ARG 28 2HB ARG 28 -8.277 -11.823 6.874 224 HB3 ARG 28 1HB ARG 28 -8.835 -10.174 7.115 225 HG2 ARG 28 2HG ARG 28 -6.537 -9.493 7.669 226 HG3 ARG 28 1HG ARG 28 -5.992 -11.143 7.386 227 HD2 ARG 28 2HD ARG 28 -7.317 -9.377 5.334 228 HD3 ARG 28 1HD ARG 28 -5.581 -9.631 5.477 229 HE ARG 28 HE ARG 28 -7.376 -11.913 5.004 230 HH11 ARG 28 1HH1 ARG 28 -4.647 -9.933 4.040 231 HH12 ARG 28 2HH1 ARG 28 -4.262 -10.903 2.662 232 HH21 ARG 28 1HH2 ARG 28 -6.847 -13.220 3.206 233 HH22 ARG 28 2HH2 ARG 28 -5.517 -12.794 2.188 234 H GLN 29 HN GLN 29 -5.870 -11.284 9.500 235 HA GLN 29 HA GLN 29 -5.904 -14.167 10.076 236 HB2 GLN 29 2HB GLN 29 -4.841 -13.542 7.888 237 HB3 GLN 29 1HB GLN 29 -3.675 -12.587 8.786 238 HG2 GLN 29 2HG GLN 29 -2.682 -14.671 8.188 239 HG3 GLN 29 1HG GLN 29 -2.936 -14.649 9.931 240 HE21 GLN 29 1HE2 GLN 29 -2.850 -16.891 10.004 241 HE22 GLN 29 2HE2 GLN 29 -4.169 -17.875 9.467 242 H GLU 30 HN GLU 30 -5.488 -14.459 12.174 243 HA GLU 30 HA GLU 30 -4.507 -12.382 13.831 244 HB2 GLU 30 2HB GLU 30 -6.064 -14.164 14.588 245 HB3 GLU 30 1HB GLU 30 -4.749 -15.323 14.467 246 HG2 GLU 30 2HG GLU 30 -3.514 -14.153 16.180 247 HG3 GLU 30 1HG GLU 30 -4.764 -12.912 16.263 248 H LYS 31 HN LYS 31 -3.025 -15.097 12.224 249 HA LYS 31 HA LYS 31 -0.445 -13.969 12.982 250 HB2 LYS 31 2HB LYS 31 0.540 -16.223 13.199 251 HB3 LYS 31 1HB LYS 31 -0.660 -15.881 14.431 252 HG2 LYS 31 2HG LYS 31 -2.257 -17.301 13.383 253 HG3 LYS 31 1HG LYS 31 -1.249 -17.470 11.947 254 HD2 LYS 31 2HD LYS 31 -0.537 -18.455 14.713 255 HD3 LYS 31 1HD LYS 31 -1.134 -19.460 13.391 256 HE2 LYS 31 2HE LYS 31 0.841 -18.753 12.047 257 HE3 LYS 31 1HE LYS 31 1.451 -17.900 13.460 258 HZ1 LYS 31 3HZ LYS 31 1.536 -19.997 14.645 259 HZ2 LYS 31 1HZ LYS 31 2.460 -20.069 13.232 260 HZ3 LYS 31 2HZ LYS 31 0.946 -20.815 13.288 261 H ILE 32 HN ILE 32 0.228 -13.151 11.166 262 HA ILE 32 HA ILE 32 -0.302 -14.261 8.592 263 HB ILE 32 HB ILE 32 1.828 -12.250 9.370 264 HG12 ILE 32 2HG1 ILE 32 -0.483 -11.553 10.026 265 HG13 ILE 32 1HG1 ILE 32 0.255 -10.501 8.827 266 HG21 ILE 32 1HG2 ILE 32 0.552 -12.850 6.707 267 HG22 ILE 32 2HG2 ILE 32 2.205 -13.238 7.186 268 HG23 ILE 32 3HG2 ILE 32 1.706 -11.554 7.021 269 HD11 ILE 32 3HD1 ILE 32 -2.101 -10.937 8.359 270 HD12 ILE 32 1HD1 ILE 32 -1.756 -12.662 8.251 271 HD13 ILE 32 2HD1 ILE 32 -1.056 -11.548 7.077 272 H THR 33 HN THR 33 0.719 -15.938 7.679 273 HA THR 33 HA THR 33 3.282 -16.762 8.835 274 HB THR 33 HB THR 33 2.814 -18.961 7.716 275 HG1 THR 33 1HG THR 33 0.120 -18.214 7.515 276 HG21 THR 33 3HG2 THR 33 1.117 -19.665 9.355 277 HG22 THR 33 1HG2 THR 33 0.748 -17.973 9.688 278 HG23 THR 33 2HG2 THR 33 2.335 -18.625 10.091 279 H ARG 34 HN ARG 34 1.869 -15.439 6.027 280 HA ARG 34 HA ARG 34 3.651 -16.442 4.081 281 HB2 ARG 34 2HB ARG 34 2.746 -14.854 2.598 282 HB3 ARG 34 1HB ARG 34 1.427 -15.218 3.698 283 HG2 ARG 34 2HG ARG 34 1.954 -13.168 4.958 284 HG3 ARG 34 1HG ARG 34 3.209 -12.796 3.776 285 HD2 ARG 34 2HD ARG 34 1.408 -11.555 3.019 286 HD3 ARG 34 1HD ARG 34 1.309 -13.018 2.044 287 HE ARG 34 HE ARG 34 -0.548 -13.727 3.344 288 HH11 ARG 34 1HH1 ARG 34 0.623 -10.540 4.209 289 HH12 ARG 34 2HH1 ARG 34 -0.891 -10.011 4.872 290 HH21 ARG 34 1HH2 ARG 34 -2.570 -13.032 4.284 291 HH22 ARG 34 2HH2 ARG 34 -2.687 -11.424 4.939 292 H THR 35 HN THR 35 5.560 -15.663 3.293 293 HA THR 35 HA THR 35 6.944 -13.819 5.084 294 HB THR 35 HB THR 35 8.014 -16.010 4.658 295 HG1 THR 35 1HG THR 35 10.087 -15.099 3.975 296 HG21 THR 35 3HG2 THR 35 9.015 -16.475 2.460 297 HG22 THR 35 1HG2 THR 35 8.246 -15.027 1.809 298 HG23 THR 35 2HG2 THR 35 7.258 -16.377 2.366 299 H LYS 36 HN LYS 36 8.825 -12.658 3.723 300 HA LYS 36 HA LYS 36 7.644 -10.514 2.385 301 HB2 LYS 36 2HB LYS 36 9.742 -10.092 3.320 302 HB3 LYS 36 1HB LYS 36 10.458 -11.525 2.596 303 HG2 LYS 36 2HG LYS 36 10.378 -10.464 0.399 304 HG3 LYS 36 1HG LYS 36 9.644 -9.030 1.116 305 HD2 LYS 36 2HD LYS 36 11.605 -8.544 2.359 306 HD3 LYS 36 1HD LYS 36 12.311 -10.118 1.984 307 HE2 LYS 36 2HE LYS 36 11.653 -8.057 -0.104 308 HE3 LYS 36 1HE LYS 36 13.225 -8.162 0.685 309 HZ1 LYS 36 3HZ LYS 36 13.060 -9.321 -1.493 310 HZ2 LYS 36 1HZ LYS 36 11.992 -10.433 -0.800 311 HZ3 LYS 36 2HZ LYS 36 13.576 -10.307 -0.226 312 H GLU 37 HN GLU 37 9.375 -13.307 1.063 313 HA GLU 37 HA GLU 37 9.280 -12.555 -1.623 314 HB2 GLU 37 2HB GLU 37 9.316 -15.327 -0.428 315 HB3 GLU 37 1HB GLU 37 9.666 -14.945 -2.109 316 HG2 GLU 37 2HG GLU 37 11.229 -13.958 0.266 317 HG3 GLU 37 1HG GLU 37 11.699 -15.284 -0.794 318 H GLU 38 HN GLU 38 7.022 -14.521 0.272 319 HA GLU 38 HA GLU 38 5.240 -15.096 -1.831 320 HB2 GLU 38 2HB GLU 38 4.737 -14.902 1.142 321 HB3 GLU 38 1HB GLU 38 3.599 -15.565 -0.020 322 HG2 GLU 38 2HG GLU 38 5.166 -17.330 -0.579 323 HG3 GLU 38 1HG GLU 38 6.350 -16.648 0.534 324 H ALA 39 HN ALA 39 5.448 -12.435 0.462 325 HA ALA 39 HA ALA 39 3.013 -11.184 -0.233 326 HB1 ALA 39 1HB ALA 39 3.906 -9.226 0.918 327 HB2 ALA 39 2HB ALA 39 5.516 -9.949 0.917 328 HB3 ALA 39 3HB ALA 39 4.217 -10.693 1.848 329 H LEU 40 HN LEU 40 6.325 -10.834 -1.419 330 HA LEU 40 HA LEU 40 5.908 -8.645 -3.123 331 HB2 LEU 40 2HB LEU 40 8.127 -9.479 -2.483 332 HB3 LEU 40 1HB LEU 40 7.852 -10.937 -3.410 333 HG LEU 40 HG LEU 40 7.766 -9.573 -5.479 334 HD11 LEU 40 1HD1 LEU 40 7.044 -7.459 -4.529 335 HD12 LEU 40 2HD1 LEU 40 8.560 -7.255 -5.406 336 HD13 LEU 40 3HD1 LEU 40 8.563 -7.318 -3.644 337 HD21 LEU 40 3HD2 LEU 40 10.161 -9.114 -5.582 338 HD22 LEU 40 1HD2 LEU 40 9.839 -10.654 -4.787 339 HD23 LEU 40 2HD2 LEU 40 10.264 -9.239 -3.826 340 H GLU 41 HN GLU 41 5.517 -12.111 -3.622 341 HA GLU 41 HA GLU 41 4.934 -12.036 -6.376 342 HB2 GLU 41 2HB GLU 41 3.967 -13.990 -4.284 343 HB3 GLU 41 1HB GLU 41 3.915 -14.248 -6.021 344 HG2 GLU 41 2HG GLU 41 6.342 -14.172 -6.116 345 HG3 GLU 41 1HG GLU 41 6.407 -13.881 -4.380 346 H LEU 42 HN LEU 42 2.968 -11.591 -3.510 347 HA LEU 42 HA LEU 42 0.460 -11.522 -4.846 348 HB2 LEU 42 2HB LEU 42 1.292 -10.337 -2.195 349 HB3 LEU 42 1HB LEU 42 -0.360 -10.457 -2.761 350 HG LEU 42 HG LEU 42 1.454 -12.794 -2.162 351 HD11 LEU 42 1HD1 LEU 42 -0.900 -11.684 -0.646 352 HD12 LEU 42 2HD1 LEU 42 0.790 -11.607 -0.148 353 HD13 LEU 42 3HD1 LEU 42 -0.029 -13.165 -0.253 354 HD21 LEU 42 3HD2 LEU 42 -0.588 -14.138 -2.429 355 HD22 LEU 42 1HD2 LEU 42 -0.134 -13.325 -3.925 356 HD23 LEU 42 2HD2 LEU 42 -1.458 -12.695 -2.947 357 H ILE 43 HN ILE 43 2.809 -9.076 -3.845 358 HA ILE 43 HA ILE 43 1.451 -6.743 -4.488 359 HB ILE 43 HB ILE 43 4.399 -7.316 -4.904 360 HG12 ILE 43 2HG1 ILE 43 3.712 -7.698 -2.592 361 HG13 ILE 43 1HG1 ILE 43 4.707 -6.251 -2.706 362 HG21 ILE 43 1HG2 ILE 43 2.972 -4.667 -4.687 363 HG22 ILE 43 2HG2 ILE 43 3.720 -5.336 -6.136 364 HG23 ILE 43 3HG2 ILE 43 4.721 -4.889 -4.753 365 HD11 ILE 43 3HD1 ILE 43 2.896 -5.846 -1.204 366 HD12 ILE 43 1HD1 ILE 43 1.718 -6.375 -2.408 367 HD13 ILE 43 2HD1 ILE 43 2.643 -4.896 -2.666 368 H ASN 44 HN ASN 44 3.661 -8.583 -6.569 369 HA ASN 44 HA ASN 44 3.250 -7.143 -8.920 370 HB2 ASN 44 2HB ASN 44 3.976 -10.052 -8.535 371 HB3 ASN 44 1HB ASN 44 4.014 -9.231 -10.089 372 HD21 ASN 44 1HD2 ASN 44 6.174 -10.479 -8.585 373 HD22 ASN 44 2HD2 ASN 44 7.356 -9.243 -8.340 374 H GLY 45 HN GLY 45 1.489 -9.889 -7.586 375 HA2 GLY 45 2HA GLY 45 -0.190 -10.422 -9.760 376 HA3 GLY 45 1HA GLY 45 -0.573 -10.758 -8.077 377 H TYR 46 HN TYR 46 -0.686 -8.250 -6.984 378 HA TYR 46 HA TYR 46 -3.261 -7.366 -7.700 379 HB2 TYR 46 2HB TYR 46 -1.141 -5.755 -6.254 380 HB3 TYR 46 1HB TYR 46 -2.871 -5.462 -6.225 381 HD1 TYR 46 2HD TYR 46 -3.759 -8.362 -5.825 382 HD2 TYR 46 1HD TYR 46 -0.721 -6.033 -3.972 383 HE1 TYR 46 2HE TYR 46 -3.932 -9.751 -3.799 384 HE2 TYR 46 1HE TYR 46 -0.884 -7.410 -1.946 385 HH TYR 46 HH TYR 46 -2.532 -8.850 -0.839 386 H ILE 47 HN ILE 47 -0.052 -6.109 -8.454 387 HA ILE 47 HA ILE 47 -0.767 -3.797 -9.832 388 HB ILE 47 HB ILE 47 1.614 -5.604 -10.331 389 HG12 ILE 47 2HG1 ILE 47 1.345 -3.120 -8.622 390 HG13 ILE 47 1HG1 ILE 47 1.458 -4.767 -8.015 391 HG21 ILE 47 1HG2 ILE 47 1.173 -2.731 -11.135 392 HG22 ILE 47 2HG2 ILE 47 1.240 -4.118 -12.219 393 HG23 ILE 47 3HG2 ILE 47 2.678 -3.630 -11.324 394 HD11 ILE 47 3HD1 ILE 47 3.580 -3.601 -7.820 395 HD12 ILE 47 1HD1 ILE 47 3.590 -3.302 -9.558 396 HD13 ILE 47 2HD1 ILE 47 3.710 -4.952 -8.946 397 H GLN 48 HN GLN 48 -0.293 -7.094 -11.062 398 HA GLN 48 HA GLN 48 -0.682 -6.523 -13.785 399 HB2 GLN 48 2HB GLN 48 -1.381 -9.089 -12.350 400 HB3 GLN 48 1HB GLN 48 -1.148 -8.902 -14.080 401 HG2 GLN 48 2HG GLN 48 0.929 -8.687 -11.916 402 HG3 GLN 48 1HG GLN 48 0.791 -9.929 -13.156 403 HE21 GLN 48 1HE2 GLN 48 3.041 -8.264 -12.554 404 HE22 GLN 48 2HE2 GLN 48 3.393 -7.358 -13.985 405 H LYS 49 HN LYS 49 -2.982 -7.454 -11.266 406 HA LYS 49 HA LYS 49 -5.242 -7.743 -12.911 407 HB2 LYS 49 2HB LYS 49 -5.089 -6.977 -9.994 408 HB3 LYS 49 1HB LYS 49 -6.540 -7.520 -10.827 409 HG2 LYS 49 2HG LYS 49 -5.533 -9.685 -11.231 410 HG3 LYS 49 1HG LYS 49 -4.033 -9.146 -10.476 411 HD2 LYS 49 2HD LYS 49 -5.177 -8.852 -8.354 412 HD3 LYS 49 1HD LYS 49 -6.712 -9.305 -9.097 413 HE2 LYS 49 2HE LYS 49 -4.281 -11.066 -8.804 414 HE3 LYS 49 1HE LYS 49 -5.759 -11.173 -7.853 415 HZ1 LYS 49 3HZ LYS 49 -5.497 -11.657 -10.770 416 HZ2 LYS 49 1HZ LYS 49 -6.963 -11.655 -9.931 417 HZ3 LYS 49 2HZ LYS 49 -5.793 -12.817 -9.583 418 H ILE 50 HN ILE 50 -3.954 -4.950 -11.196 419 HA ILE 50 HA ILE 50 -6.163 -3.255 -11.794 420 HB ILE 50 HB ILE 50 -3.353 -2.529 -10.934 421 HG12 ILE 50 2HG1 ILE 50 -5.894 -2.779 -9.305 422 HG13 ILE 50 1HG1 ILE 50 -4.618 -3.990 -9.361 423 HG21 ILE 50 1HG2 ILE 50 -5.878 -0.867 -10.938 424 HG22 ILE 50 2HG2 ILE 50 -4.477 -0.633 -11.985 425 HG23 ILE 50 3HG2 ILE 50 -4.332 -0.379 -10.246 426 HD11 ILE 50 3HD1 ILE 50 -4.483 -2.608 -7.360 427 HD12 ILE 50 1HD1 ILE 50 -4.315 -1.168 -8.361 428 HD13 ILE 50 2HD1 ILE 50 -3.060 -2.406 -8.379 429 H LYS 51 HN LYS 51 -2.899 -3.584 -13.199 430 HA LYS 51 HA LYS 51 -3.271 -1.481 -15.066 431 HB2 LYS 51 2HB LYS 51 -1.258 -3.708 -14.947 432 HB3 LYS 51 1HB LYS 51 -1.252 -2.486 -16.210 433 HG2 LYS 51 2HG LYS 51 -1.050 -0.744 -14.463 434 HG3 LYS 51 1HG LYS 51 -0.924 -2.025 -13.255 435 HD2 LYS 51 2HD LYS 51 1.079 -2.875 -14.338 436 HD3 LYS 51 1HD LYS 51 0.939 -1.645 -15.597 437 HE2 LYS 51 2HE LYS 51 1.220 0.108 -13.917 438 HE3 LYS 51 1HE LYS 51 1.342 -1.117 -12.657 439 HZ1 LYS 51 3HZ LYS 51 3.525 -0.392 -13.270 440 HZ2 LYS 51 1HZ LYS 51 3.233 -0.702 -14.908 441 HZ3 LYS 51 2HZ LYS 51 3.324 -1.979 -13.812 442 H SER 52 HN SER 52 -4.099 -4.847 -15.163 443 HA SER 52 HA SER 52 -4.488 -4.813 -18.026 444 HB2 SER 52 2HB SER 52 -5.213 -6.925 -15.986 445 HB3 SER 52 1HB SER 52 -5.256 -7.127 -17.739 446 HG SER 52 HG SER 52 -3.114 -7.094 -15.992 447 H GLY 53 HN GLY 53 -6.170 -3.516 -15.541 448 HA2 GLY 53 2HA GLY 53 -8.275 -2.612 -15.437 449 HA3 GLY 53 1HA GLY 53 -8.491 -3.081 -17.116 450 H GLU 54 HN GLU 54 -7.651 -5.447 -14.740 451 HA GLU 54 HA GLU 54 -10.132 -6.848 -15.243 452 HB2 GLU 54 2HB GLU 54 -7.767 -7.583 -13.506 453 HB3 GLU 54 1HB GLU 54 -9.115 -8.642 -13.891 454 HG2 GLU 54 2HG GLU 54 -7.215 -7.481 -15.910 455 HG3 GLU 54 1HG GLU 54 -7.088 -9.097 -15.216 456 H GLU 55 HN GLU 55 -8.329 -5.713 -12.433 457 HA GLU 55 HA GLU 55 -10.866 -5.234 -11.059 458 HB2 GLU 55 2HB GLU 55 -8.426 -6.538 -9.835 459 HB3 GLU 55 1HB GLU 55 -9.888 -6.090 -8.968 460 HG2 GLU 55 2HG GLU 55 -11.172 -7.678 -10.318 461 HG3 GLU 55 1HG GLU 55 -9.699 -8.133 -11.172 462 H ASP 56 HN ASP 56 -10.248 -3.942 -8.921 463 HA ASP 56 HA ASP 56 -8.281 -1.916 -9.728 464 HB2 ASP 56 2HB ASP 56 -9.724 -0.190 -8.665 465 HB3 ASP 56 1HB ASP 56 -10.444 -0.938 -10.081 466 H PHE 57 HN PHE 57 -7.617 -0.502 -7.930 467 HA PHE 57 HA PHE 57 -6.292 -2.048 -6.010 468 HB2 PHE 57 2HB PHE 57 -5.485 0.096 -6.906 469 HB3 PHE 57 1HB PHE 57 -6.784 0.928 -6.067 470 HD1 PHE 57 2HD PHE 57 -3.598 -0.817 -5.703 471 HD2 PHE 57 1HD PHE 57 -6.679 1.320 -3.698 472 HE1 PHE 57 2HE PHE 57 -2.137 -0.543 -3.749 473 HE2 PHE 57 1HE PHE 57 -5.219 1.599 -1.742 474 HZ PHE 57 HZ PHE 57 -2.946 0.666 -1.769 475 H GLU 58 HN GLU 58 -9.158 0.016 -5.754 476 HA GLU 58 HA GLU 58 -9.342 -0.067 -2.946 477 HB2 GLU 58 2HB GLU 58 -11.495 0.437 -4.986 478 HB3 GLU 58 1HB GLU 58 -11.649 0.736 -3.261 479 HG2 GLU 58 2HG GLU 58 -9.761 2.329 -3.426 480 HG3 GLU 58 1HG GLU 58 -9.771 2.094 -5.175 481 H SER 59 HN SER 59 -10.852 -2.082 -5.446 482 HA SER 59 HA SER 59 -12.507 -3.508 -3.646 483 HB2 SER 59 2HB SER 59 -12.891 -3.419 -6.097 484 HB3 SER 59 1HB SER 59 -11.444 -4.396 -6.338 485 HG SER 59 HG SER 59 -12.909 -5.924 -6.258 486 H LEU 60 HN LEU 60 -9.228 -3.928 -4.777 487 HA LEU 60 HA LEU 60 -8.917 -6.504 -3.569 488 HB2 LEU 60 2HB LEU 60 -7.125 -4.591 -4.985 489 HB3 LEU 60 1HB LEU 60 -6.396 -5.836 -3.990 490 HG LEU 60 HG LEU 60 -7.479 -7.567 -5.326 491 HD11 LEU 60 1HD1 LEU 60 -8.556 -5.316 -6.996 492 HD12 LEU 60 2HD1 LEU 60 -9.496 -6.394 -5.964 493 HD13 LEU 60 3HD1 LEU 60 -8.660 -7.035 -7.379 494 HD21 LEU 60 3HD2 LEU 60 -6.221 -7.246 -7.397 495 HD22 LEU 60 1HD2 LEU 60 -5.270 -6.791 -5.983 496 HD23 LEU 60 2HD2 LEU 60 -5.998 -5.544 -6.994 497 H ALA 61 HN ALA 61 -8.403 -3.205 -2.612 498 HA ALA 61 HA ALA 61 -6.671 -3.628 -0.449 499 HB1 ALA 61 1HB ALA 61 -7.390 -1.442 0.349 500 HB2 ALA 61 2HB ALA 61 -8.768 -1.479 -0.749 501 HB3 ALA 61 3HB ALA 61 -7.128 -1.412 -1.395 502 H SER 62 HN SER 62 -10.220 -3.469 -0.536 503 HA SER 62 HA SER 62 -10.481 -3.982 2.266 504 HB2 SER 62 2HB SER 62 -12.561 -4.117 0.082 505 HB3 SER 62 1HB SER 62 -12.875 -4.044 1.818 506 HG SER 62 HG SER 62 -11.795 -1.997 1.822 507 H GLN 63 HN GLN 63 -9.242 -6.040 0.224 508 HA GLN 63 HA GLN 63 -10.581 -8.350 1.441 509 HB2 GLN 63 2HB GLN 63 -9.838 -8.063 -1.468 510 HB3 GLN 63 1HB GLN 63 -10.259 -9.592 -0.713 511 HG2 GLN 63 2HG GLN 63 -12.475 -8.700 -0.170 512 HG3 GLN 63 1HG GLN 63 -12.046 -7.182 -0.962 513 HE21 GLN 63 1HE2 GLN 63 -11.898 -7.114 -3.194 514 HE22 GLN 63 2HE2 GLN 63 -12.539 -8.372 -4.197 515 H PHE 64 HN PHE 64 -7.781 -7.450 -0.556 516 HA PHE 64 HA PHE 64 -6.254 -9.652 0.587 517 HB2 PHE 64 2HB PHE 64 -5.620 -7.765 -1.682 518 HB3 PHE 64 1HB PHE 64 -4.628 -9.130 -1.187 519 HD1 PHE 64 2HD PHE 64 -5.331 -11.406 -1.651 520 HD2 PHE 64 1HD PHE 64 -7.672 -8.081 -2.891 521 HE1 PHE 64 2HE PHE 64 -6.600 -12.870 -3.168 522 HE2 PHE 64 1HE PHE 64 -8.944 -9.533 -4.409 523 HZ PHE 64 HZ PHE 64 -8.410 -11.933 -4.550 524 H SER 65 HN SER 65 -6.833 -6.991 2.010 525 HA SER 65 HA SER 65 -4.011 -6.394 2.558 526 HB2 SER 65 2HB SER 65 -5.287 -4.477 1.556 527 HB3 SER 65 1HB SER 65 -6.303 -4.476 2.997 528 HG SER 65 HG SER 65 -3.535 -4.433 3.343 529 H ASP 66 HN ASP 66 -3.339 -6.288 4.645 530 HA ASP 66 HA ASP 66 -5.124 -7.593 6.564 531 HB2 ASP 66 2HB ASP 66 -2.188 -7.046 6.949 532 HB3 ASP 66 1HB ASP 66 -3.180 -8.265 7.734 533 H SER 67 HN SER 67 -4.826 -4.595 5.739 534 HA SER 67 HA SER 67 -4.298 -3.447 8.379 535 HB2 SER 67 2HB SER 67 -3.124 -2.372 6.555 536 HB3 SER 67 1HB SER 67 -4.625 -2.159 5.657 537 HG SER 67 HG SER 67 -3.661 -0.790 7.906 538 H SER 68 HN SER 68 -5.823 -2.279 9.507 539 HA SER 68 HA SER 68 -8.558 -2.894 9.050 540 HB2 SER 68 2HB SER 68 -7.378 -0.815 10.906 541 HB3 SER 68 1HB SER 68 -8.986 -1.530 11.012 542 HG SER 68 HG SER 68 -8.064 -3.498 11.517 543 H SER 69 HN SER 69 -6.460 -0.481 7.879 544 HA SER 69 HA SER 69 -8.376 1.581 7.433 545 HB2 SER 69 2HB SER 69 -5.706 1.089 6.108 546 HB3 SER 69 1HB SER 69 -6.638 2.584 6.021 547 HG SER 69 HG SER 69 -6.204 3.011 8.089 548 H ALA 70 HN ALA 70 -7.967 -1.427 6.073 549 HA ALA 70 HA ALA 70 -8.558 -0.929 3.354 550 HB1 ALA 70 1HB ALA 70 -9.010 -3.281 3.206 551 HB2 ALA 70 2HB ALA 70 -9.223 -3.400 4.950 552 HB3 ALA 70 3HB ALA 70 -7.629 -3.057 4.279 553 H LYS 71 HN LYS 71 -10.426 -1.062 6.247 554 HA LYS 71 HA LYS 71 -13.007 -1.418 5.179 555 HB2 LYS 71 2HB LYS 71 -12.385 -1.581 7.598 556 HB3 LYS 71 1HB LYS 71 -12.176 0.156 7.626 557 HG2 LYS 71 2HG LYS 71 -14.291 -0.323 8.580 558 HG3 LYS 71 1HG LYS 71 -14.577 0.384 6.990 559 HD2 LYS 71 2HD LYS 71 -16.057 -1.499 7.338 560 HD3 LYS 71 1HD LYS 71 -14.895 -1.880 6.069 561 HE2 LYS 71 2HE LYS 71 -15.202 -3.771 7.582 562 HE3 LYS 71 1HE LYS 71 -13.557 -3.155 7.676 563 HZ1 LYS 71 3HZ LYS 71 -14.414 -3.616 9.865 564 HZ2 LYS 71 1HZ LYS 71 -15.745 -2.609 9.609 565 HZ3 LYS 71 2HZ LYS 71 -14.193 -1.950 9.704 566 H ALA 72 HN ALA 72 -10.920 1.357 5.583 567 HA ALA 72 HA ALA 72 -12.923 3.245 4.676 568 HB1 ALA 72 1HB ALA 72 -11.137 4.909 4.980 569 HB2 ALA 72 2HB ALA 72 -10.005 3.610 5.354 570 HB3 ALA 72 3HB ALA 72 -11.374 3.922 6.421 571 H ARG 73 HN ARG 73 -11.701 0.989 3.000 572 HA ARG 73 HA ARG 73 -11.313 0.608 0.805 573 HB2 ARG 73 2HB ARG 73 -11.855 3.569 0.484 574 HB3 ARG 73 1HB ARG 73 -11.669 2.440 -0.851 575 HG2 ARG 73 2HG ARG 73 -13.642 1.249 -0.202 576 HG3 ARG 73 1HG ARG 73 -13.774 2.183 1.286 577 HD2 ARG 73 2HD ARG 73 -15.363 2.976 -0.368 578 HD3 ARG 73 1HD ARG 73 -14.157 4.211 -0.025 579 HE ARG 73 HE ARG 73 -13.049 3.348 -2.163 580 HH11 ARG 73 1HH1 ARG 73 -16.532 3.337 -1.639 581 HH12 ARG 73 2HH1 ARG 73 -16.906 3.457 -3.320 582 HH21 ARG 73 1HH2 ARG 73 -13.546 3.510 -4.371 583 HH22 ARG 73 2HH2 ARG 73 -15.205 3.547 -4.887 584 H GLY 74 HN GLY 74 -9.279 2.014 2.781 585 HA2 GLY 74 2HA GLY 74 -6.952 1.923 2.662 586 HA3 GLY 74 1HA GLY 74 -7.070 1.735 0.921 587 H ASP 75 HN ASP 75 -9.004 4.223 1.352 588 HA ASP 75 HA ASP 75 -6.952 6.123 0.616 589 HB2 ASP 75 2HB ASP 75 -8.879 6.256 -0.733 590 HB3 ASP 75 1HB ASP 75 -9.957 6.227 0.656 591 H LEU 76 HN LEU 76 -6.011 7.488 1.909 592 HA LEU 76 HA LEU 76 -6.929 7.773 4.659 593 HB2 LEU 76 2HB LEU 76 -4.438 8.742 3.266 594 HB3 LEU 76 1HB LEU 76 -4.778 8.974 4.967 595 HG LEU 76 HG LEU 76 -4.438 6.302 3.622 596 HD11 LEU 76 1HD1 LEU 76 -2.566 7.860 5.398 597 HD12 LEU 76 2HD1 LEU 76 -2.351 7.548 3.675 598 HD13 LEU 76 3HD1 LEU 76 -2.309 6.212 4.825 599 HD21 LEU 76 3HD2 LEU 76 -4.338 5.467 5.942 600 HD22 LEU 76 1HD2 LEU 76 -5.906 6.160 5.532 601 HD23 LEU 76 2HD2 LEU 76 -4.768 7.079 6.514 602 H GLY 77 HN GLY 77 -6.849 9.534 1.706 603 HA2 GLY 77 2HA GLY 77 -8.215 11.478 1.427 604 HA3 GLY 77 1HA GLY 77 -7.912 11.884 3.115 605 H ALA 78 HN ALA 78 -7.400 13.979 2.000 606 HA ALA 78 HA ALA 78 -4.857 14.046 0.627 607 HB1 ALA 78 1HB ALA 78 -5.309 16.391 0.273 608 HB2 ALA 78 2HB ALA 78 -6.659 16.334 1.404 609 HB3 ALA 78 3HB ALA 78 -6.745 15.451 -0.120 610 H PHE 79 HN PHE 79 -3.086 13.932 1.786 611 HA PHE 79 HA PHE 79 -2.939 15.418 4.325 612 HB2 PHE 79 2HB PHE 79 -1.284 13.737 5.082 613 HB3 PHE 79 1HB PHE 79 -2.849 13.014 4.748 614 HD1 PHE 79 2HD PHE 79 -3.154 11.592 2.754 615 HD2 PHE 79 1HD PHE 79 0.661 13.142 3.833 616 HE1 PHE 79 2HE PHE 79 -2.074 9.947 1.280 617 HE2 PHE 79 1HE PHE 79 1.747 11.496 2.362 618 HZ PHE 79 HZ PHE 79 0.380 9.898 1.084 619 H SER 80 HN SER 80 -0.437 15.728 4.857 620 HA SER 80 HA SER 80 1.017 16.403 2.425 621 HB2 SER 80 2HB SER 80 -0.312 18.421 3.237 622 HB3 SER 80 1HB SER 80 0.721 18.411 4.668 623 HG SER 80 HG SER 80 1.514 18.733 1.956 624 H ARG 81 HN ARG 81 3.266 17.346 3.208 625 HA ARG 81 HA ARG 81 4.536 15.217 4.493 626 HB2 ARG 81 2HB ARG 81 6.566 16.769 4.527 627 HB3 ARG 81 1HB ARG 81 5.875 16.382 2.962 628 HG2 ARG 81 2HG ARG 81 6.300 18.647 2.784 629 HG3 ARG 81 1HG ARG 81 4.597 18.620 3.236 630 HD2 ARG 81 2HD ARG 81 5.258 18.991 5.588 631 HD3 ARG 81 1HD ARG 81 6.939 19.110 5.071 632 HE ARG 81 HE ARG 81 5.639 20.955 3.545 633 HH11 ARG 81 1HH1 ARG 81 5.924 20.372 6.986 634 HH12 ARG 81 2HH1 ARG 81 5.726 22.035 7.420 635 HH21 ARG 81 1HH2 ARG 81 5.372 23.174 4.111 636 HH22 ARG 81 2HH2 ARG 81 5.401 23.633 5.779 637 H GLY 82 HN GLY 82 4.960 14.740 6.476 638 HA2 GLY 82 2HA GLY 82 5.698 15.446 8.691 639 HA3 GLY 82 1HA GLY 82 4.609 16.818 8.541 640 H GLN 83 HN GLN 83 3.333 14.000 7.228 641 HA GLN 83 HA GLN 83 1.826 13.487 9.706 642 HB2 GLN 83 2HB GLN 83 0.770 13.326 6.879 643 HB3 GLN 83 1HB GLN 83 -0.137 12.978 8.341 644 HG2 GLN 83 2HG GLN 83 0.167 15.337 9.036 645 HG3 GLN 83 1HG GLN 83 0.967 15.650 7.497 646 HE21 GLN 83 1HE2 GLN 83 -1.797 13.522 7.942 647 HE22 GLN 83 2HE2 GLN 83 -2.915 14.484 7.037 648 H MET 84 HN MET 84 3.363 12.161 6.858 649 HA MET 84 HA MET 84 2.765 9.464 7.866 650 HB2 MET 84 2HB MET 84 1.800 9.984 5.663 651 HB3 MET 84 1HB MET 84 3.404 10.345 5.048 652 HG2 MET 84 2HG MET 84 2.581 8.133 4.387 653 HG3 MET 84 1HG MET 84 4.080 8.077 5.316 654 HE1 MET 84 3HE MET 84 -0.069 7.006 7.034 655 HE2 MET 84 1HE MET 84 0.207 7.533 5.375 656 HE3 MET 84 2HE MET 84 0.421 8.668 6.708 657 H GLN 85 HN GLN 85 4.464 7.819 7.342 658 HA GLN 85 HA GLN 85 7.013 8.707 8.291 659 HB2 GLN 85 2HB GLN 85 6.189 5.996 7.222 660 HB3 GLN 85 1HB GLN 85 7.650 6.345 8.136 661 HG2 GLN 85 2HG GLN 85 6.304 6.973 10.067 662 HG3 GLN 85 1HG GLN 85 4.837 6.652 9.152 663 HE21 GLN 85 1HE2 GLN 85 7.730 4.671 8.971 664 HE22 GLN 85 2HE2 GLN 85 7.048 3.282 9.750 665 H LYS 86 HN LYS 86 9.000 8.576 7.200 666 HA LYS 86 HA LYS 86 9.226 9.889 4.856 667 HB2 LYS 86 2HB LYS 86 11.111 9.544 6.326 668 HB3 LYS 86 1HB LYS 86 11.155 7.835 5.928 669 HG2 LYS 86 2HG LYS 86 12.913 8.894 4.735 670 HG3 LYS 86 1HG LYS 86 11.660 8.480 3.564 671 HD2 LYS 86 2HD LYS 86 10.832 10.801 3.668 672 HD3 LYS 86 1HD LYS 86 12.133 11.197 4.794 673 HE2 LYS 86 2HE LYS 86 13.749 10.431 3.028 674 HE3 LYS 86 1HE LYS 86 12.381 10.327 1.921 675 HZ1 LYS 86 3HZ LYS 86 13.512 12.419 1.660 676 HZ2 LYS 86 1HZ LYS 86 13.335 12.771 3.303 677 HZ3 LYS 86 2HZ LYS 86 11.976 12.703 2.305 678 HA PRO 87 HA PRO 87 9.931 5.792 2.177 679 HB2 PRO 87 2HB PRO 87 8.382 3.674 3.091 680 HB3 PRO 87 1HB PRO 87 10.122 3.844 3.338 681 HG2 PRO 87 2HG PRO 87 7.871 4.534 5.182 682 HG3 PRO 87 1HG PRO 87 9.426 3.763 5.549 683 HD2 PRO 87 2HD PRO 87 9.030 6.331 6.105 684 HD3 PRO 87 1HD PRO 87 10.588 5.781 5.451 685 H PHE 88 HN PHE 88 6.895 6.542 3.760 686 HA PHE 88 HA PHE 88 5.422 5.944 1.291 687 HB2 PHE 88 2HB PHE 88 4.660 5.028 3.529 688 HB3 PHE 88 1HB PHE 88 4.305 6.677 4.006 689 HD1 PHE 88 1HD PHE 88 2.654 7.973 2.389 690 HD2 PHE 88 2HD PHE 88 3.006 3.737 2.615 691 HE1 PHE 88 1HE PHE 88 0.396 7.740 1.450 692 HE2 PHE 88 2HE PHE 88 0.751 3.499 1.668 693 HZ PHE 88 HZ PHE 88 -0.557 5.503 1.084 694 H GLU 89 HN GLU 89 6.145 8.498 3.585 695 HA GLU 89 HA GLU 89 4.473 10.536 2.685 696 HB2 GLU 89 2HB GLU 89 5.851 10.495 4.789 697 HB3 GLU 89 1HB GLU 89 7.258 10.862 3.806 698 HG2 GLU 89 2HG GLU 89 6.668 12.933 4.594 699 HG3 GLU 89 1HG GLU 89 5.861 12.898 3.028 700 H ASP 90 HN ASP 90 7.959 10.217 2.013 701 HA ASP 90 HA ASP 90 8.051 12.292 0.121 702 HB2 ASP 90 2HB ASP 90 10.010 11.351 1.373 703 HB3 ASP 90 1HB ASP 90 9.955 9.954 0.304 704 H ALA 91 HN ALA 91 7.486 8.859 -0.210 705 HA ALA 91 HA ALA 91 7.772 8.693 -3.011 706 HB1 ALA 91 1HB ALA 91 6.610 6.562 -2.826 707 HB2 ALA 91 2HB ALA 91 6.108 6.964 -1.185 708 HB3 ALA 91 3HB ALA 91 7.816 6.728 -1.550 709 H SER 92 HN SER 92 5.087 9.599 -0.945 710 HA SER 92 HA SER 92 3.038 9.410 -2.871 711 HB2 SER 92 2HB SER 92 3.259 11.120 -0.389 712 HB3 SER 92 1HB SER 92 1.786 10.938 -1.342 713 HG SER 92 HG SER 92 3.175 8.992 0.170 714 H PHE 93 HN PHE 93 5.442 11.845 -2.252 715 HA PHE 93 HA PHE 93 4.126 13.798 -3.952 716 HB2 PHE 93 2HB PHE 93 6.833 13.878 -2.597 717 HB3 PHE 93 1HB PHE 93 6.089 15.218 -3.461 718 HD1 PHE 93 2HD PHE 93 3.765 15.979 -2.587 719 HD2 PHE 93 1HD PHE 93 6.526 13.676 -0.323 720 HE1 PHE 93 2HE PHE 93 2.659 16.701 -0.513 721 HE2 PHE 93 1HE PHE 93 5.425 14.392 1.756 722 HZ PHE 93 HZ PHE 93 3.489 15.907 1.661 723 H ALA 94 HN ALA 94 6.000 11.106 -4.409 724 HA ALA 94 HA ALA 94 7.336 12.173 -6.794 725 HB1 ALA 94 1HB ALA 94 8.752 10.210 -6.693 726 HB2 ALA 94 2HB ALA 94 7.809 9.571 -5.350 727 HB3 ALA 94 3HB ALA 94 8.754 11.043 -5.141 728 H LEU 95 HN LEU 95 4.545 10.625 -5.976 729 HA LEU 95 HA LEU 95 4.513 8.925 -8.357 730 HB2 LEU 95 2HB LEU 95 2.565 9.105 -6.064 731 HB3 LEU 95 1HB LEU 95 2.406 8.023 -7.431 732 HG LEU 95 HG LEU 95 4.612 7.948 -5.373 733 HD11 LEU 95 1HD1 LEU 95 2.279 6.108 -5.849 734 HD12 LEU 95 2HD1 LEU 95 2.471 7.218 -4.493 735 HD13 LEU 95 3HD1 LEU 95 3.574 5.855 -4.681 736 HD21 LEU 95 3HD2 LEU 95 4.033 6.078 -7.667 737 HD22 LEU 95 1HD2 LEU 95 5.301 5.885 -6.459 738 HD23 LEU 95 2HD2 LEU 95 5.367 7.229 -7.596 739 H ARG 96 HN ARG 96 3.273 9.302 -10.058 740 HA ARG 96 HA ARG 96 1.762 11.815 -10.092 741 HB2 ARG 96 2HB ARG 96 1.809 11.563 -12.562 742 HB3 ARG 96 1HB ARG 96 3.408 11.644 -11.843 743 HG2 ARG 96 2HG ARG 96 3.540 9.166 -12.007 744 HG3 ARG 96 1HG ARG 96 1.999 9.187 -12.868 745 HD2 ARG 96 2HD ARG 96 2.971 10.575 -14.611 746 HD3 ARG 96 1HD ARG 96 4.496 10.639 -13.733 747 HE ARG 96 HE ARG 96 3.703 7.957 -14.288 748 HH11 ARG 96 1HH1 ARG 96 5.206 10.794 -15.724 749 HH12 ARG 96 2HH1 ARG 96 6.088 9.893 -16.907 750 HH21 ARG 96 1HH2 ARG 96 4.884 6.759 -15.849 751 HH22 ARG 96 2HH2 ARG 96 5.907 7.584 -16.975 752 H THR 97 HN THR 97 -0.286 11.773 -11.479 753 HA THR 97 HA THR 97 -2.167 10.128 -10.258 754 HB THR 97 HB THR 97 -2.478 11.492 -12.940 755 HG1 THR 97 1HG THR 97 -3.325 12.647 -10.511 756 HG21 THR 97 3HG2 THR 97 -4.846 11.597 -12.329 757 HG22 THR 97 1HG2 THR 97 -4.500 10.765 -10.812 758 HG23 THR 97 2HG2 THR 97 -4.286 9.924 -12.347 759 H GLY 98 HN GLY 98 -2.692 8.060 -10.529 760 HA2 GLY 98 2HA GLY 98 -3.338 6.181 -11.789 761 HA3 GLY 98 1HA GLY 98 -2.531 6.868 -13.191 762 H GLU 99 HN GLU 99 -0.348 7.327 -10.908 763 HA GLU 99 HA GLU 99 1.084 4.891 -11.602 764 HB2 GLU 99 2HB GLU 99 2.199 7.048 -11.953 765 HB3 GLU 99 1HB GLU 99 2.015 7.426 -10.249 766 HG2 GLU 99 2HG GLU 99 3.521 5.667 -9.641 767 HG3 GLU 99 1HG GLU 99 3.604 5.110 -11.311 768 H MET 100 HN MET 100 1.909 3.483 -10.082 769 HA MET 100 HA MET 100 1.006 3.861 -7.321 770 HB2 MET 100 2HB MET 100 -0.643 2.478 -8.492 771 HB3 MET 100 1HB MET 100 0.628 1.376 -8.995 772 HG2 MET 100 2HG MET 100 1.034 0.772 -6.674 773 HG3 MET 100 1HG MET 100 -0.218 1.898 -6.156 774 HE1 MET 100 3HE MET 100 -0.392 -0.399 -9.386 775 HE2 MET 100 1HE MET 100 -1.032 -1.881 -8.677 776 HE3 MET 100 2HE MET 100 0.572 -1.303 -8.221 777 H SER 101 HN SER 101 2.433 3.224 -5.818 778 HA SER 101 HA SER 101 4.944 2.022 -6.736 779 HB2 SER 101 2HB SER 101 5.054 4.161 -5.446 780 HB3 SER 101 1HB SER 101 4.307 3.340 -4.079 781 HG SER 101 HG SER 101 6.161 2.494 -3.598 782 H GLY 102 HN GLY 102 5.320 -0.063 -6.321 783 HA2 GLY 102 2HA GLY 102 3.344 -1.511 -4.746 784 HA3 GLY 102 1HA GLY 102 4.529 -2.219 -5.824 785 HA PRO 103 HA PRO 103 6.956 -3.365 -2.392 786 HB2 PRO 103 2HB PRO 103 9.499 -2.611 -3.594 787 HB3 PRO 103 1HB PRO 103 8.814 -4.220 -3.354 788 HG2 PRO 103 2HG PRO 103 9.089 -3.082 -5.809 789 HG3 PRO 103 1HG PRO 103 7.815 -4.249 -5.417 790 HD2 PRO 103 2HD PRO 103 7.666 -1.263 -5.592 791 HD3 PRO 103 1HD PRO 103 6.509 -2.485 -6.162 792 H VAL 104 HN VAL 104 6.181 -1.558 -1.068 793 HA VAL 104 HA VAL 104 8.397 0.255 -0.362 794 HB VAL 104 HB VAL 104 5.435 0.638 0.170 795 HG11 VAL 104 1HG1 VAL 104 7.769 2.450 0.785 796 HG12 VAL 104 2HG1 VAL 104 6.800 1.567 1.964 797 HG13 VAL 104 3HG1 VAL 104 6.068 2.856 1.006 798 HG21 VAL 104 3HG2 VAL 104 5.604 2.521 -1.391 799 HG22 VAL 104 1HG2 VAL 104 6.000 0.990 -2.173 800 HG23 VAL 104 2HG2 VAL 104 7.288 2.102 -1.708 801 H PHE 105 HN PHE 105 9.469 -0.762 1.206 802 HA PHE 105 HA PHE 105 8.079 -2.464 3.077 803 HB2 PHE 105 2HB PHE 105 11.007 -1.785 2.799 804 HB3 PHE 105 1HB PHE 105 10.355 -2.938 3.957 805 HD1 PHE 105 1HD PHE 105 9.416 -5.059 3.206 806 HD2 PHE 105 2HD PHE 105 11.177 -2.320 0.472 807 HE1 PHE 105 1HE PHE 105 9.538 -6.835 1.511 808 HE2 PHE 105 2HE PHE 105 11.301 -4.089 -1.229 809 HZ PHE 105 HZ PHE 105 10.480 -6.352 -0.712 810 H THR 106 HN THR 106 7.305 -1.860 4.919 811 HA THR 106 HA THR 106 8.548 0.375 6.363 812 HB THR 106 HB THR 106 5.583 -0.020 6.579 813 HG1 THR 106 1HG THR 106 6.900 0.572 4.257 814 HG21 THR 106 3HG2 THR 106 5.628 2.430 6.824 815 HG22 THR 106 1HG2 THR 106 7.359 2.434 6.499 816 HG23 THR 106 2HG2 THR 106 6.741 1.671 7.961 817 H ASP 107 HN ASP 107 6.986 0.223 8.667 818 HA ASP 107 HA ASP 107 8.208 -1.784 10.127 819 HB2 ASP 107 2HB ASP 107 5.639 -0.323 10.765 820 HB3 ASP 107 1HB ASP 107 6.602 -1.237 11.919 821 H SER 108 HN SER 108 4.783 -1.708 9.106 822 HA SER 108 HA SER 108 4.249 -4.305 10.132 823 HB2 SER 108 2HB SER 108 2.123 -3.991 8.692 824 HB3 SER 108 1HB SER 108 2.392 -2.917 10.064 825 HG SER 108 HG SER 108 2.225 -1.383 8.674 826 H GLY 109 HN GLY 109 5.286 -3.149 7.008 827 HA2 GLY 109 2HA GLY 109 6.352 -5.368 5.983 828 HA3 GLY 109 1HA GLY 109 4.639 -5.667 5.723 829 H ILE 110 HN ILE 110 4.444 -5.475 3.568 830 HA ILE 110 HA ILE 110 5.757 -3.245 2.234 831 HB ILE 110 HB ILE 110 4.115 -5.465 0.993 832 HG12 ILE 110 2HG1 ILE 110 7.122 -5.238 1.277 833 HG13 ILE 110 1HG1 ILE 110 6.099 -6.342 2.186 834 HG21 ILE 110 1HG2 ILE 110 6.050 -3.486 -0.210 835 HG22 ILE 110 2HG2 ILE 110 4.297 -3.481 -0.403 836 HG23 ILE 110 3HG2 ILE 110 5.254 -4.799 -1.080 837 HD11 ILE 110 3HD1 ILE 110 7.231 -7.477 0.361 838 HD12 ILE 110 1HD1 ILE 110 6.507 -6.362 -0.798 839 HD13 ILE 110 2HD1 ILE 110 5.485 -7.476 0.111 840 H HIS 111 HN HIS 111 4.751 -1.467 1.667 841 HA HIS 111 HA HIS 111 1.813 -1.362 1.881 842 HB2 HIS 111 2HB HIS 111 3.892 0.818 2.207 843 HB3 HIS 111 1HB HIS 111 2.162 1.115 2.156 844 HD1 HIS 111 1HD HIS 111 1.489 1.702 4.467 845 HD2 HIS 111 2HD HIS 111 4.174 -1.470 4.403 846 HE1 HIS 111 1HE HIS 111 1.739 0.983 6.853 847 HE2 HIS 111 2HE HIS 111 3.184 -1.067 6.763 848 H ILE 112 HN ILE 112 0.707 -0.976 0.066 849 HA ILE 112 HA ILE 112 2.215 -0.190 -2.319 850 HB ILE 112 HB ILE 112 -0.658 -1.132 -2.170 851 HG12 ILE 112 2HG1 ILE 112 1.832 -2.742 -2.773 852 HG13 ILE 112 1HG1 ILE 112 0.860 -2.870 -1.311 853 HG21 ILE 112 1HG2 ILE 112 1.285 -0.943 -4.469 854 HG22 ILE 112 2HG2 ILE 112 -0.095 0.117 -4.186 855 HG23 ILE 112 3HG2 ILE 112 -0.354 -1.588 -4.562 856 HD11 ILE 112 3HD1 ILE 112 -0.038 -3.527 -4.108 857 HD12 ILE 112 1HD1 ILE 112 -1.040 -3.628 -2.660 858 HD13 ILE 112 2HD1 ILE 112 0.365 -4.677 -2.834 859 H ILE 113 HN ILE 113 2.082 1.805 -3.051 860 HA ILE 113 HA ILE 113 0.078 3.600 -1.846 861 HB ILE 113 HB ILE 113 2.613 4.467 -3.226 862 HG12 ILE 113 2HG1 ILE 113 2.249 3.968 -0.263 863 HG13 ILE 113 1HG1 ILE 113 3.161 2.925 -1.348 864 HG21 ILE 113 1HG2 ILE 113 0.825 5.809 -1.198 865 HG22 ILE 113 2HG2 ILE 113 0.898 6.171 -2.923 866 HG23 ILE 113 3HG2 ILE 113 2.291 6.502 -1.894 867 HD11 ILE 113 3HD1 ILE 113 4.633 4.368 -0.080 868 HD12 ILE 113 1HD1 ILE 113 3.796 5.794 -0.696 869 HD13 ILE 113 2HD1 ILE 113 4.711 4.762 -1.797 870 H LEU 114 HN LEU 114 -1.574 3.999 -3.175 871 HA LEU 114 HA LEU 114 -1.047 4.178 -6.061 872 HB2 LEU 114 2HB LEU 114 -2.791 2.599 -5.469 873 HB3 LEU 114 1HB LEU 114 -3.636 3.829 -4.550 874 HG LEU 114 HG LEU 114 -3.943 5.102 -6.697 875 HD11 LEU 114 1HD1 LEU 114 -2.963 2.532 -7.920 876 HD12 LEU 114 2HD1 LEU 114 -2.168 4.105 -7.999 877 HD13 LEU 114 3HD1 LEU 114 -3.722 3.862 -8.794 878 HD21 LEU 114 3HD2 LEU 114 -5.777 3.688 -7.491 879 HD22 LEU 114 1HD2 LEU 114 -5.744 3.797 -5.731 880 HD23 LEU 114 2HD2 LEU 114 -5.147 2.346 -6.536 881 H ARG 115 HN ARG 115 -0.960 6.114 -6.969 882 HA ARG 115 HA ARG 115 -1.827 8.439 -5.469 883 HB2 ARG 115 2HB ARG 115 0.328 8.532 -6.610 884 HB3 ARG 115 1HB ARG 115 -0.446 8.188 -8.148 885 HG2 ARG 115 2HG ARG 115 0.029 10.515 -8.073 886 HG3 ARG 115 1HG ARG 115 -1.715 10.320 -7.901 887 HD2 ARG 115 2HD ARG 115 -1.404 10.498 -5.427 888 HD3 ARG 115 1HD ARG 115 0.286 10.900 -5.728 889 HE ARG 115 HE ARG 115 -1.950 12.505 -6.804 890 HH11 ARG 115 1HH1 ARG 115 1.208 12.283 -5.266 891 HH12 ARG 115 2HH1 ARG 115 1.372 13.987 -5.066 892 HH21 ARG 115 1HH2 ARG 115 -1.744 14.761 -6.536 893 HH22 ARG 115 2HH2 ARG 115 -0.337 15.426 -5.789 894 H THR 116 HN THR 116 -3.995 8.594 -5.506 895 HA THR 116 HA THR 116 -5.523 8.000 -7.860 896 HB THR 116 HB THR 116 -7.446 8.823 -6.404 897 HG1 THR 116 1HG THR 116 -7.007 9.427 -4.375 898 HG21 THR 116 3HG2 THR 116 -5.693 6.602 -5.335 899 HG22 THR 116 1HG2 THR 116 -6.875 6.445 -6.634 900 HG23 THR 116 2HG2 THR 116 -7.410 6.813 -4.995 901 H GLU 117 HN GLU 117 -4.752 10.903 -5.987 902 HA GLU 117 HA GLU 117 -6.223 12.670 -7.673 903 HB2 GLU 117 2HB GLU 117 -4.050 13.251 -5.664 904 HB3 GLU 117 1HB GLU 117 -5.075 14.456 -6.427 905 HG2 GLU 117 2HG GLU 117 -6.024 12.234 -4.647 906 HG3 GLU 117 1HG GLU 117 -5.802 13.918 -4.163 Start of MODEL 3 1 H1 GLY 1 1HT GLY 1 6.228 22.053 -10.898 2 H2 GLY 1 2HT GLY 1 6.713 23.037 -12.179 3 H3 GLY 1 3HT GLY 1 5.153 22.396 -12.154 4 HA2 GLY 1 1HA GLY 1 5.116 24.718 -11.542 5 HA3 GLY 1 2HA GLY 1 4.604 23.691 -10.211 6 H SER 2 HN SER 2 5.237 25.886 -9.192 7 HA SER 2 HA SER 2 7.967 26.538 -8.877 8 HB2 SER 2 2HB SER 2 5.683 27.176 -7.001 9 HB3 SER 2 1HB SER 2 7.212 28.046 -7.145 10 HG SER 2 HG SER 2 5.344 28.974 -8.283 11 H HIS 3 HN HIS 3 5.797 24.406 -7.183 12 HA HIS 3 HA HIS 3 7.820 23.807 -5.160 13 HB2 HIS 3 2HB HIS 3 5.486 24.190 -4.412 14 HB3 HIS 3 1HB HIS 3 4.951 22.856 -5.423 15 HD1 HIS 3 1HD HIS 3 5.143 20.507 -4.452 16 HD2 HIS 3 2HD HIS 3 7.025 23.400 -2.131 17 HE1 HIS 3 1HE HIS 3 5.732 19.368 -2.294 18 HE2 HIS 3 2HE HIS 3 7.117 21.057 -1.050 19 H MET 4 HN MET 4 9.028 22.003 -5.264 20 HA MET 4 HA MET 4 8.771 20.271 -7.532 21 HB2 MET 4 2HB MET 4 10.588 20.208 -5.123 22 HB3 MET 4 1HB MET 4 10.625 18.977 -6.376 23 HG2 MET 4 2HG MET 4 11.124 20.741 -8.032 24 HG3 MET 4 1HG MET 4 11.198 21.910 -6.714 25 HE1 MET 4 3HE MET 4 14.951 21.468 -7.794 26 HE2 MET 4 1HE MET 4 13.626 22.610 -7.572 27 HE3 MET 4 2HE MET 4 13.542 21.401 -8.854 28 H GLU 5 HN GLU 5 7.727 18.448 -7.679 29 HA GLU 5 HA GLU 5 6.509 16.604 -7.207 30 HB2 GLU 5 2HB GLU 5 7.185 16.934 -4.275 31 HB3 GLU 5 1HB GLU 5 6.662 15.471 -5.093 32 HG2 GLU 5 2HG GLU 5 9.308 16.870 -5.412 33 HG3 GLU 5 1HG GLU 5 9.009 15.346 -4.585 34 HA PRO 6 HA PRO 6 2.496 18.189 -6.257 35 HB2 PRO 6 2HB PRO 6 1.910 15.563 -4.991 36 HB3 PRO 6 1HB PRO 6 1.057 16.395 -6.294 37 HG2 PRO 6 2HG PRO 6 2.584 14.282 -6.809 38 HG3 PRO 6 1HG PRO 6 2.544 15.669 -7.914 39 HD2 PRO 6 2HD PRO 6 4.620 14.895 -5.914 40 HD3 PRO 6 1HD PRO 6 4.816 15.583 -7.540 41 H ALA 7 HN ALA 7 1.910 19.480 -4.611 42 HA ALA 7 HA ALA 7 3.124 19.294 -2.058 43 HB1 ALA 7 1HB ALA 7 1.729 21.185 -1.445 44 HB2 ALA 7 2HB ALA 7 0.730 20.940 -2.875 45 HB3 ALA 7 3HB ALA 7 2.415 21.431 -3.049 46 H ARG 8 HN ARG 8 -0.283 18.953 -3.016 47 HA ARG 8 HA ARG 8 -0.701 17.284 -0.628 48 HB2 ARG 8 2HB ARG 8 -2.654 18.797 -2.359 49 HB3 ARG 8 1HB ARG 8 -3.136 17.674 -1.099 50 HG2 ARG 8 2HG ARG 8 -1.979 19.085 0.553 51 HG3 ARG 8 1HG ARG 8 -1.613 20.238 -0.737 52 HD2 ARG 8 2HD ARG 8 -3.966 20.581 -1.148 53 HD3 ARG 8 1HD ARG 8 -4.377 19.336 0.030 54 HE ARG 8 HE ARG 8 -2.830 21.555 1.046 55 HH11 ARG 8 1HH1 ARG 8 -6.011 20.201 0.510 56 HH12 ARG 8 2HH1 ARG 8 -6.772 21.129 1.755 57 HH21 ARG 8 1HH2 ARG 8 -3.825 22.818 2.693 58 HH22 ARG 8 2HH2 ARG 8 -5.517 22.635 3.003 59 H VAL 9 HN VAL 9 -1.511 15.224 -0.847 60 HA VAL 9 HA VAL 9 -2.156 14.327 -3.555 61 HB VAL 9 HB VAL 9 -0.844 12.228 -3.219 62 HG11 VAL 9 1HG1 VAL 9 0.804 14.747 -3.150 63 HG12 VAL 9 2HG1 VAL 9 0.061 14.031 -4.579 64 HG13 VAL 9 3HG1 VAL 9 1.343 13.170 -3.728 65 HG21 VAL 9 3HG2 VAL 9 0.933 12.182 -1.527 66 HG22 VAL 9 1HG2 VAL 9 -0.667 12.259 -0.791 67 HG23 VAL 9 2HG2 VAL 9 0.338 13.705 -0.866 68 H ARG 10 HN ARG 10 -3.976 13.194 -3.589 69 HA ARG 10 HA ARG 10 -4.838 11.889 -1.114 70 HB2 ARG 10 2HB ARG 10 -6.527 13.316 -2.220 71 HB3 ARG 10 1HB ARG 10 -6.367 12.379 -3.693 72 HG2 ARG 10 2HG ARG 10 -7.128 10.932 -1.206 73 HG3 ARG 10 1HG ARG 10 -8.334 11.963 -1.972 74 HD2 ARG 10 2HD ARG 10 -8.301 10.702 -3.962 75 HD3 ARG 10 1HD ARG 10 -6.794 9.900 -3.525 76 HE ARG 10 HE ARG 10 -8.199 8.865 -1.655 77 HH11 ARG 10 1HH1 ARG 10 -9.584 9.753 -4.769 78 HH12 ARG 10 2HH1 ARG 10 -10.733 8.463 -4.768 79 HH21 ARG 10 1HH2 ARG 10 -9.703 7.173 -1.667 80 HH22 ARG 10 2HH2 ARG 10 -10.811 6.978 -2.981 81 H CYS 11 HN CYS 11 -4.035 9.956 -0.896 82 HA CYS 11 HA CYS 11 -4.006 8.199 -3.236 83 HB2 CYS 11 2HB CYS 11 -1.752 8.476 -1.240 84 HB3 CYS 11 1HB CYS 11 -1.807 7.346 -2.587 85 HG CYS 11 HG CYS 11 -0.094 9.769 -2.845 86 H SER 12 HN SER 12 -4.410 6.096 -2.862 87 HA SER 12 HA SER 12 -5.228 5.369 -0.148 88 HB2 SER 12 2HB SER 12 -5.876 4.039 -2.798 89 HB3 SER 12 1HB SER 12 -6.535 3.587 -1.224 90 HG SER 12 HG SER 12 -6.909 6.205 -1.616 91 H HIS 13 HN HIS 13 -4.595 3.183 0.596 92 HA HIS 13 HA HIS 13 -2.137 2.221 -0.680 93 HB2 HIS 13 2HB HIS 13 -1.007 2.115 1.540 94 HB3 HIS 13 1HB HIS 13 -1.330 3.750 0.976 95 HD1 HIS 13 1HD HIS 13 -2.761 1.205 3.413 96 HD2 HIS 13 2HD HIS 13 -2.705 5.302 2.751 97 HE1 HIS 13 1HE HIS 13 -3.926 2.214 5.383 98 HE2 HIS 13 2HE HIS 13 -4.088 4.654 4.842 99 H LEU 14 HN LEU 14 -1.721 0.125 -0.516 100 HA LEU 14 HA LEU 14 -3.560 -1.567 1.058 101 HB2 LEU 14 2HB LEU 14 -3.621 -1.716 -1.501 102 HB3 LEU 14 1HB LEU 14 -2.000 -2.363 -1.415 103 HG LEU 14 HG LEU 14 -4.280 -3.724 0.007 104 HD11 LEU 14 1HD1 LEU 14 -3.422 -4.128 -2.855 105 HD12 LEU 14 2HD1 LEU 14 -4.962 -3.458 -2.317 106 HD13 LEU 14 3HD1 LEU 14 -4.560 -5.139 -1.968 107 HD21 LEU 14 3HD2 LEU 14 -2.871 -5.699 -0.292 108 HD22 LEU 14 1HD2 LEU 14 -2.002 -4.429 0.567 109 HD23 LEU 14 2HD2 LEU 14 -1.673 -4.723 -1.140 110 H LEU 15 HN LEU 15 -2.589 -3.210 2.334 111 HA LEU 15 HA LEU 15 0.348 -3.103 2.441 112 HB2 LEU 15 2HB LEU 15 -0.378 -1.838 4.312 113 HB3 LEU 15 1HB LEU 15 -1.594 -3.026 4.731 114 HG LEU 15 HG LEU 15 0.182 -4.612 5.380 115 HD11 LEU 15 1HD1 LEU 15 2.062 -2.329 4.808 116 HD12 LEU 15 2HD1 LEU 15 1.960 -3.849 3.918 117 HD13 LEU 15 3HD1 LEU 15 2.492 -3.845 5.600 118 HD21 LEU 15 3HD2 LEU 15 0.935 -3.416 7.403 119 HD22 LEU 15 1HD2 LEU 15 -0.790 -3.218 7.094 120 HD23 LEU 15 2HD2 LEU 15 0.330 -1.910 6.710 121 H VAL 16 HN VAL 16 1.275 -4.964 2.170 122 HA VAL 16 HA VAL 16 -0.182 -7.405 2.903 123 HB VAL 16 HB VAL 16 2.011 -7.034 0.841 124 HG11 VAL 16 1HG1 VAL 16 0.586 -9.555 1.693 125 HG12 VAL 16 2HG1 VAL 16 2.278 -9.165 2.003 126 HG13 VAL 16 3HG1 VAL 16 1.720 -9.418 0.349 127 HG21 VAL 16 3HG2 VAL 16 -0.187 -6.277 0.098 128 HG22 VAL 16 1HG2 VAL 16 -0.883 -7.835 0.547 129 HG23 VAL 16 2HG2 VAL 16 0.302 -7.739 -0.757 130 H LYS 17 HN LYS 17 0.528 -8.324 4.662 131 HA LYS 17 HA LYS 17 3.081 -7.534 5.790 132 HB2 LYS 17 2HB LYS 17 0.907 -9.336 6.848 133 HB3 LYS 17 1HB LYS 17 2.353 -8.891 7.737 134 HG2 LYS 17 2HG LYS 17 1.675 -6.567 7.729 135 HG3 LYS 17 1HG LYS 17 0.256 -6.967 6.759 136 HD2 LYS 17 2HD LYS 17 -0.511 -8.463 8.577 137 HD3 LYS 17 1HD LYS 17 0.866 -7.939 9.547 138 HE2 LYS 17 2HE LYS 17 0.049 -5.664 9.536 139 HE3 LYS 17 1HE LYS 17 -1.275 -6.115 8.462 140 HZ1 LYS 17 3HZ LYS 17 -2.022 -5.977 10.748 141 HZ2 LYS 17 1HZ LYS 17 -0.869 -7.124 11.219 142 HZ3 LYS 17 2HZ LYS 17 -2.129 -7.573 10.183 143 H HIS 18 HN HIS 18 3.968 -9.592 7.141 144 HA HIS 18 HA HIS 18 4.139 -12.019 5.690 145 HB2 HIS 18 2HB HIS 18 6.604 -11.920 5.267 146 HB3 HIS 18 1HB HIS 18 5.697 -10.788 4.280 147 HD1 HIS 18 1HD HIS 18 8.718 -10.942 6.046 148 HD2 HIS 18 2HD HIS 18 5.726 -8.075 5.763 149 HE1 HIS 18 1HE HIS 18 9.787 -8.773 6.721 150 HE2 HIS 18 2HE HIS 18 7.935 -7.092 6.683 151 H SER 19 HN SER 19 5.976 -13.407 6.829 152 HA SER 19 HA SER 19 5.155 -13.716 9.454 153 HB2 SER 19 2HB SER 19 7.803 -14.597 8.293 154 HB3 SER 19 1HB SER 19 6.985 -15.291 9.692 155 HG SER 19 HG SER 19 6.572 -16.530 7.849 156 H GLN 20 HN GLN 20 8.003 -12.002 8.247 157 HA GLN 20 HA GLN 20 8.787 -11.238 10.937 158 HB2 GLN 20 2HB GLN 20 9.994 -10.630 8.239 159 HB3 GLN 20 1HB GLN 20 10.658 -10.059 9.761 160 HG2 GLN 20 2HG GLN 20 10.317 -12.940 8.963 161 HG3 GLN 20 1HG GLN 20 11.828 -12.033 8.944 162 HE21 GLN 20 1HE2 GLN 20 12.812 -11.498 10.886 163 HE22 GLN 20 2HE2 GLN 20 12.394 -12.273 12.375 164 H SER 21 HN SER 21 6.389 -10.207 10.709 165 HA SER 21 HA SER 21 6.759 -7.393 9.949 166 HB2 SER 21 2HB SER 21 4.856 -8.632 8.871 167 HB3 SER 21 1HB SER 21 4.149 -8.845 10.472 168 HG SER 21 HG SER 21 4.522 -6.466 8.989 169 H ARG 22 HN ARG 22 5.447 -5.873 11.402 170 HA ARG 22 HA ARG 22 6.396 -6.169 14.083 171 HB2 ARG 22 2HB ARG 22 6.173 -3.984 12.854 172 HB3 ARG 22 1HB ARG 22 4.432 -4.135 13.018 173 HG2 ARG 22 2HG ARG 22 5.056 -2.702 14.752 174 HG3 ARG 22 1HG ARG 22 4.857 -4.268 15.538 175 HD2 ARG 22 2HD ARG 22 7.480 -3.080 14.637 176 HD3 ARG 22 1HD ARG 22 6.886 -3.083 16.292 177 HE ARG 22 HE ARG 22 6.953 -5.601 16.065 178 HH11 ARG 22 1HH1 ARG 22 9.127 -3.488 14.303 179 HH12 ARG 22 2HH1 ARG 22 10.363 -4.682 14.135 180 HH21 ARG 22 1HH2 ARG 22 8.597 -7.182 15.851 181 HH22 ARG 22 2HH2 ARG 22 10.065 -6.790 15.027 182 H ARG 23 HN ARG 23 3.405 -6.672 12.412 183 HA ARG 23 HA ARG 23 2.267 -7.822 14.847 184 HB2 ARG 23 2HB ARG 23 1.236 -5.617 14.569 185 HB3 ARG 23 1HB ARG 23 0.818 -6.003 12.909 186 HG2 ARG 23 2HG ARG 23 -1.140 -6.180 14.300 187 HG3 ARG 23 1HG ARG 23 -0.684 -7.782 13.725 188 HD2 ARG 23 2HD ARG 23 -1.310 -7.871 16.068 189 HD3 ARG 23 1HD ARG 23 0.405 -8.229 15.884 190 HE ARG 23 HE ARG 23 0.345 -5.555 16.374 191 HH11 ARG 23 1HH1 ARG 23 -1.026 -8.320 18.028 192 HH12 ARG 23 2HH1 ARG 23 -0.861 -7.627 19.601 193 HH21 ARG 23 1HH2 ARG 23 0.562 -4.627 18.468 194 HH22 ARG 23 2HH2 ARG 23 0.054 -5.525 19.855 195 HA PRO 24 HA PRO 24 2.033 -10.896 11.483 196 HB2 PRO 24 2HB PRO 24 2.489 -13.052 13.000 197 HB3 PRO 24 1HB PRO 24 3.803 -11.954 12.556 198 HG2 PRO 24 2HG PRO 24 2.260 -12.119 15.117 199 HG3 PRO 24 1HG PRO 24 4.006 -11.932 14.876 200 HD2 PRO 24 2HD PRO 24 2.314 -9.852 15.433 201 HD3 PRO 24 1HD PRO 24 3.839 -9.668 14.543 202 H SER 25 HN SER 25 -0.234 -9.730 12.937 203 HA SER 25 HA SER 25 -2.060 -11.976 12.696 204 HB2 SER 25 2HB SER 25 -1.969 -10.156 15.117 205 HB3 SER 25 1HB SER 25 -3.208 -11.370 14.800 206 HG SER 25 HG SER 25 -1.116 -12.750 14.581 207 H SER 26 HN SER 26 -3.761 -11.396 11.515 208 HA SER 26 HA SER 26 -4.525 -8.571 11.445 209 HB2 SER 26 2HB SER 26 -4.150 -10.322 9.005 210 HB3 SER 26 1HB SER 26 -4.718 -8.652 9.006 211 H TRP 27 HN TRP 27 -6.642 -8.416 10.067 212 HA TRP 27 HA TRP 27 -8.566 -10.044 11.394 213 HB2 TRP 27 2HB TRP 27 -10.233 -8.752 10.112 214 HB3 TRP 27 1HB TRP 27 -9.058 -7.713 10.905 215 HD1 TRP 27 1HD TRP 27 -7.219 -6.504 9.276 216 HE1 TRP 27 1HE TRP 27 -7.384 -5.817 6.799 217 HE3 TRP 27 3HE TRP 27 -11.215 -9.386 7.905 218 HZ2 TRP 27 2HZ TRP 27 -9.003 -6.419 4.565 219 HZ3 TRP 27 3HZ TRP 27 -12.008 -9.268 5.581 220 HH2 TRP 27 2HH TRP 27 -10.926 -7.816 3.947 221 H ARG 28 HN ARG 28 -6.771 -10.441 8.575 222 HA ARG 28 HA ARG 28 -8.741 -12.123 7.251 223 HB2 ARG 28 2HB ARG 28 -5.885 -11.688 6.395 224 HB3 ARG 28 1HB ARG 28 -7.237 -12.232 5.413 225 HG2 ARG 28 2HG ARG 28 -8.259 -9.934 5.888 226 HG3 ARG 28 1HG ARG 28 -6.639 -9.478 6.424 227 HD2 ARG 28 2HD ARG 28 -6.819 -8.872 4.130 228 HD3 ARG 28 1HD ARG 28 -5.789 -10.303 4.216 229 HE ARG 28 HE ARG 28 -8.653 -10.556 3.619 230 HH11 ARG 28 1HH1 ARG 28 -5.311 -10.994 2.620 231 HH12 ARG 28 2HH1 ARG 28 -5.726 -12.011 1.286 232 HH21 ARG 28 1HH2 ARG 28 -9.189 -11.867 1.865 233 HH22 ARG 28 2HH2 ARG 28 -7.942 -12.516 0.854 234 H GLN 29 HN GLN 29 -5.574 -12.397 8.794 235 HA GLN 29 HA GLN 29 -6.040 -15.261 9.151 236 HB2 GLN 29 2HB GLN 29 -4.561 -14.969 7.197 237 HB3 GLN 29 1HB GLN 29 -3.455 -14.022 8.176 238 HG2 GLN 29 2HG GLN 29 -2.568 -16.220 7.932 239 HG3 GLN 29 1HG GLN 29 -3.088 -16.017 9.601 240 HE21 GLN 29 1HE2 GLN 29 -2.673 -18.442 8.043 241 HE22 GLN 29 2HE2 GLN 29 -4.174 -19.301 8.089 242 H GLU 30 HN GLU 30 -5.521 -15.982 11.141 243 HA GLU 30 HA GLU 30 -5.092 -14.213 13.255 244 HB2 GLU 30 2HB GLU 30 -6.147 -16.448 13.468 245 HB3 GLU 30 1HB GLU 30 -4.574 -17.192 13.221 246 HG2 GLU 30 2HG GLU 30 -3.750 -16.214 15.270 247 HG3 GLU 30 1HG GLU 30 -5.267 -15.349 15.498 248 H LYS 31 HN LYS 31 -2.803 -16.445 11.690 249 HA LYS 31 HA LYS 31 -0.678 -14.714 12.707 250 HB2 LYS 31 2HB LYS 31 0.816 -16.679 12.894 251 HB3 LYS 31 1HB LYS 31 -0.543 -16.743 14.001 252 HG2 LYS 31 2HG LYS 31 -1.650 -18.377 12.616 253 HG3 LYS 31 1HG LYS 31 -0.385 -18.238 11.390 254 HD2 LYS 31 2HD LYS 31 1.266 -19.060 12.994 255 HD3 LYS 31 1HD LYS 31 0.013 -19.183 14.228 256 HE2 LYS 31 2HE LYS 31 -1.150 -20.857 12.923 257 HE3 LYS 31 1HE LYS 31 0.019 -20.685 11.616 258 HZ1 LYS 31 3HZ LYS 31 0.509 -22.613 12.960 259 HZ2 LYS 31 1HZ LYS 31 0.605 -21.665 14.357 260 HZ3 LYS 31 2HZ LYS 31 1.746 -21.473 13.127 261 H ILE 32 HN ILE 32 0.201 -13.691 11.123 262 HA ILE 32 HA ILE 32 -0.115 -14.423 8.403 263 HB ILE 32 HB ILE 32 1.837 -12.435 9.591 264 HG12 ILE 32 2HG1 ILE 32 -0.467 -11.896 10.222 265 HG13 ILE 32 1HG1 ILE 32 0.144 -10.730 9.054 266 HG21 ILE 32 1HG2 ILE 32 0.778 -12.707 6.780 267 HG22 ILE 32 2HG2 ILE 32 2.417 -13.072 7.318 268 HG23 ILE 32 3HG2 ILE 32 1.823 -11.411 7.366 269 HD11 ILE 32 3HD1 ILE 32 -2.153 -11.322 8.573 270 HD12 ILE 32 1HD1 ILE 32 -1.714 -13.026 8.471 271 HD13 ILE 32 2HD1 ILE 32 -1.092 -11.883 7.280 272 H THR 33 HN THR 33 0.785 -16.260 7.724 273 HA THR 33 HA THR 33 3.627 -16.686 8.325 274 HB THR 33 HB THR 33 1.629 -18.804 7.504 275 HG1 THR 33 1HG THR 33 1.151 -17.850 9.582 276 HG21 THR 33 3HG2 THR 33 3.349 -20.348 8.331 277 HG22 THR 33 1HG2 THR 33 4.390 -18.983 8.732 278 HG23 THR 33 2HG2 THR 33 3.992 -19.324 7.048 279 H ARG 34 HN ARG 34 4.560 -15.661 6.634 280 HA ARG 34 HA ARG 34 4.582 -16.974 4.134 281 HB2 ARG 34 2HB ARG 34 3.634 -15.295 2.698 282 HB3 ARG 34 1HB ARG 34 2.442 -15.679 3.926 283 HG2 ARG 34 2HG ARG 34 3.077 -13.655 5.153 284 HG3 ARG 34 1HG ARG 34 4.229 -13.259 3.874 285 HD2 ARG 34 2HD ARG 34 2.384 -12.000 3.287 286 HD3 ARG 34 1HD ARG 34 2.171 -13.451 2.312 287 HE ARG 34 HE ARG 34 0.596 -14.201 4.125 288 HH11 ARG 34 1HH1 ARG 34 1.215 -10.796 3.545 289 HH12 ARG 34 2HH1 ARG 34 -0.324 -10.272 4.155 290 HH21 ARG 34 1HH2 ARG 34 -1.442 -13.497 4.967 291 HH22 ARG 34 2HH2 ARG 34 -1.820 -11.799 4.980 292 H THR 35 HN THR 35 6.473 -16.596 3.156 293 HA THR 35 HA THR 35 8.398 -14.967 4.491 294 HB THR 35 HB THR 35 9.000 -17.142 3.461 295 HG1 THR 35 1HG THR 35 10.952 -16.471 2.735 296 HG21 THR 35 3HG2 THR 35 9.268 -17.298 1.013 297 HG22 THR 35 1HG2 THR 35 8.521 -15.709 0.845 298 HG23 THR 35 2HG2 THR 35 7.585 -17.060 1.483 299 H LYS 36 HN LYS 36 9.909 -13.597 2.966 300 HA LYS 36 HA LYS 36 8.512 -11.284 2.245 301 HB2 LYS 36 2HB LYS 36 10.924 -11.376 2.840 302 HB3 LYS 36 1HB LYS 36 11.253 -12.127 1.287 303 HG2 LYS 36 2HG LYS 36 10.425 -10.114 0.148 304 HG3 LYS 36 1HG LYS 36 10.130 -9.361 1.715 305 HD2 LYS 36 2HD LYS 36 12.808 -10.258 0.640 306 HD3 LYS 36 1HD LYS 36 12.244 -8.592 0.765 307 HE2 LYS 36 2HE LYS 36 12.085 -8.862 3.214 308 HE3 LYS 36 1HE LYS 36 12.721 -10.496 3.058 309 HZ1 LYS 36 3HZ LYS 36 14.483 -9.031 3.657 310 HZ2 LYS 36 1HZ LYS 36 14.132 -7.975 2.384 311 HZ3 LYS 36 2HZ LYS 36 14.734 -9.517 2.062 312 H GLU 37 HN GLU 37 9.646 -13.990 0.319 313 HA GLU 37 HA GLU 37 9.171 -12.998 -2.240 314 HB2 GLU 37 2HB GLU 37 8.894 -15.833 -1.236 315 HB3 GLU 37 1HB GLU 37 9.005 -15.360 -2.924 316 HG2 GLU 37 2HG GLU 37 11.238 -14.516 -2.578 317 HG3 GLU 37 1HG GLU 37 11.131 -14.876 -0.855 318 H GLU 38 HN GLU 38 7.009 -14.758 -0.050 319 HA GLU 38 HA GLU 38 4.790 -14.927 -1.747 320 HB2 GLU 38 2HB GLU 38 5.009 -14.850 1.251 321 HB3 GLU 38 1HB GLU 38 3.481 -15.095 0.418 322 HG2 GLU 38 2HG GLU 38 5.910 -16.857 0.243 323 HG3 GLU 38 1HG GLU 38 4.426 -17.200 1.134 324 H ALA 39 HN ALA 39 5.727 -12.457 0.593 325 HA ALA 39 HA ALA 39 3.436 -10.841 0.293 326 HB1 ALA 39 1HB ALA 39 6.235 -10.033 1.094 327 HB2 ALA 39 2HB ALA 39 4.974 -10.612 2.184 328 HB3 ALA 39 3HB ALA 39 4.772 -9.077 1.340 329 H LEU 40 HN LEU 40 6.569 -10.889 -1.317 330 HA LEU 40 HA LEU 40 6.226 -8.594 -2.903 331 HB2 LEU 40 2HB LEU 40 8.370 -9.818 -2.447 332 HB3 LEU 40 1HB LEU 40 7.841 -11.049 -3.574 333 HG LEU 40 HG LEU 40 7.767 -9.286 -5.350 334 HD11 LEU 40 1HD1 LEU 40 7.565 -7.317 -3.971 335 HD12 LEU 40 2HD1 LEU 40 9.049 -7.220 -4.920 336 HD13 LEU 40 3HD1 LEU 40 9.122 -7.649 -3.213 337 HD21 LEU 40 3HD2 LEU 40 10.202 -9.230 -5.649 338 HD22 LEU 40 1HD2 LEU 40 9.633 -10.829 -5.170 339 HD23 LEU 40 2HD2 LEU 40 10.411 -9.776 -3.987 340 H GLU 41 HN GLU 41 5.559 -12.022 -3.528 341 HA GLU 41 HA GLU 41 4.696 -11.803 -6.181 342 HB2 GLU 41 2HB GLU 41 3.863 -13.747 -4.023 343 HB3 GLU 41 1HB GLU 41 3.424 -13.913 -5.715 344 HG2 GLU 41 2HG GLU 41 6.222 -13.926 -4.611 345 HG3 GLU 41 1HG GLU 41 5.304 -15.337 -5.134 346 H LEU 42 HN LEU 42 2.894 -11.526 -3.144 347 HA LEU 42 HA LEU 42 0.353 -11.211 -4.321 348 HB2 LEU 42 2HB LEU 42 1.386 -10.222 -1.666 349 HB3 LEU 42 1HB LEU 42 -0.298 -10.188 -2.145 350 HG LEU 42 HG LEU 42 1.385 -12.660 -1.727 351 HD11 LEU 42 1HD1 LEU 42 -0.921 -11.523 -0.159 352 HD12 LEU 42 2HD1 LEU 42 0.767 -11.572 0.349 353 HD13 LEU 42 3HD1 LEU 42 -0.136 -13.072 0.145 354 HD21 LEU 42 3HD2 LEU 42 -0.728 -13.888 -2.068 355 HD22 LEU 42 1HD2 LEU 42 -0.201 -13.039 -3.520 356 HD23 LEU 42 2HD2 LEU 42 -1.507 -12.377 -2.539 357 H ILE 43 HN ILE 43 2.719 -8.823 -3.188 358 HA ILE 43 HA ILE 43 1.315 -6.499 -3.780 359 HB ILE 43 HB ILE 43 4.291 -7.023 -3.851 360 HG12 ILE 43 2HG1 ILE 43 3.146 -7.299 -1.664 361 HG13 ILE 43 1HG1 ILE 43 4.322 -5.991 -1.662 362 HG21 ILE 43 1HG2 ILE 43 2.862 -4.369 -3.965 363 HG22 ILE 43 2HG2 ILE 43 3.842 -5.089 -5.242 364 HG23 ILE 43 3HG2 ILE 43 4.596 -4.584 -3.731 365 HD11 ILE 43 3HD1 ILE 43 2.335 -5.340 -0.462 366 HD12 ILE 43 1HD1 ILE 43 1.331 -5.704 -1.867 367 HD13 ILE 43 2HD1 ILE 43 2.492 -4.378 -1.929 368 H ASN 44 HN ASN 44 3.753 -8.115 -5.829 369 HA ASN 44 HA ASN 44 3.380 -6.460 -8.067 370 HB2 ASN 44 2HB ASN 44 4.496 -9.236 -7.765 371 HB3 ASN 44 1HB ASN 44 4.334 -8.488 -9.350 372 HD21 ASN 44 1HD2 ASN 44 6.023 -8.464 -6.332 373 HD22 ASN 44 2HD2 ASN 44 7.270 -7.362 -6.817 374 H GLY 45 HN GLY 45 1.759 -9.384 -7.040 375 HA2 GLY 45 2HA GLY 45 0.306 -9.952 -9.348 376 HA3 GLY 45 1HA GLY 45 -0.211 -10.331 -7.712 377 H TYR 46 HN TYR 46 -0.616 -7.909 -6.570 378 HA TYR 46 HA TYR 46 -3.115 -7.115 -7.593 379 HB2 TYR 46 2HB TYR 46 -1.283 -5.562 -5.748 380 HB3 TYR 46 1HB TYR 46 -2.987 -5.224 -6.017 381 HD1 TYR 46 2HD TYR 46 -4.260 -7.826 -5.831 382 HD2 TYR 46 1HD TYR 46 -1.017 -6.249 -3.576 383 HE1 TYR 46 2HE TYR 46 -4.831 -9.324 -3.964 384 HE2 TYR 46 1HE TYR 46 -1.579 -7.739 -1.713 385 HH TYR 46 HH TYR 46 -3.630 -8.929 -0.871 386 H ILE 47 HN ILE 47 0.077 -5.603 -7.772 387 HA ILE 47 HA ILE 47 -0.523 -3.271 -9.106 388 HB ILE 47 HB ILE 47 1.920 -5.028 -9.420 389 HG12 ILE 47 2HG1 ILE 47 1.454 -2.541 -7.759 390 HG13 ILE 47 1HG1 ILE 47 1.484 -4.186 -7.137 391 HG21 ILE 47 1HG2 ILE 47 1.538 -2.159 -10.281 392 HG22 ILE 47 2HG2 ILE 47 1.743 -3.548 -11.345 393 HG23 ILE 47 3HG2 ILE 47 3.066 -3.038 -10.297 394 HD11 ILE 47 3HD1 ILE 47 3.577 -3.039 -6.703 395 HD12 ILE 47 1HD1 ILE 47 3.789 -2.744 -8.428 396 HD13 ILE 47 2HD1 ILE 47 3.823 -4.392 -7.805 397 H GLN 48 HN GLN 48 0.285 -6.417 -10.577 398 HA GLN 48 HA GLN 48 0.010 -5.530 -13.236 399 HB2 GLN 48 2HB GLN 48 -0.333 -8.345 -12.192 400 HB3 GLN 48 1HB GLN 48 -0.049 -7.892 -13.865 401 HG2 GLN 48 2HG GLN 48 1.845 -7.619 -11.544 402 HG3 GLN 48 1HG GLN 48 2.004 -8.672 -12.949 403 HE21 GLN 48 1HE2 GLN 48 3.811 -6.639 -11.906 404 HE22 GLN 48 2HE2 GLN 48 4.068 -5.509 -13.187 405 H LYS 49 HN LYS 49 -2.313 -6.972 -10.998 406 HA LYS 49 HA LYS 49 -4.427 -7.323 -12.822 407 HB2 LYS 49 2HB LYS 49 -4.477 -6.814 -9.843 408 HB3 LYS 49 1HB LYS 49 -5.889 -7.264 -10.789 409 HG2 LYS 49 2HG LYS 49 -4.931 -9.391 -11.321 410 HG3 LYS 49 1HG LYS 49 -3.396 -8.937 -10.582 411 HD2 LYS 49 2HD LYS 49 -4.642 -10.384 -9.082 412 HD3 LYS 49 1HD LYS 49 -4.524 -8.763 -8.396 413 HE2 LYS 49 2HE LYS 49 -6.759 -9.612 -8.072 414 HE3 LYS 49 1HE LYS 49 -6.804 -8.285 -9.230 415 HZ1 LYS 49 3HZ LYS 49 -8.189 -10.078 -9.968 416 HZ2 LYS 49 1HZ LYS 49 -6.908 -11.184 -9.872 417 HZ3 LYS 49 2HZ LYS 49 -6.871 -9.946 -11.026 418 H ILE 50 HN ILE 50 -3.622 -4.628 -10.685 419 HA ILE 50 HA ILE 50 -5.860 -3.032 -11.380 420 HB ILE 50 HB ILE 50 -3.197 -2.175 -10.235 421 HG12 ILE 50 2HG1 ILE 50 -5.759 -2.726 -8.748 422 HG13 ILE 50 1HG1 ILE 50 -4.533 -3.962 -9.002 423 HG21 ILE 50 1HG2 ILE 50 -5.885 -0.791 -10.223 424 HG22 ILE 50 2HG2 ILE 50 -4.465 -0.292 -11.144 425 HG23 ILE 50 3HG2 ILE 50 -4.438 -0.233 -9.381 426 HD11 ILE 50 3HD1 ILE 50 -4.358 -2.917 -6.812 427 HD12 ILE 50 1HD1 ILE 50 -4.108 -1.350 -7.584 428 HD13 ILE 50 2HD1 ILE 50 -2.917 -2.636 -7.791 429 H LYS 51 HN LYS 51 -2.479 -3.031 -12.483 430 HA LYS 51 HA LYS 51 -2.739 -0.810 -14.203 431 HB2 LYS 51 2HB LYS 51 -0.785 -3.103 -14.206 432 HB3 LYS 51 1HB LYS 51 -0.658 -1.730 -15.293 433 HG2 LYS 51 2HG LYS 51 -0.631 -1.547 -12.283 434 HG3 LYS 51 1HG LYS 51 0.806 -1.562 -13.305 435 HD2 LYS 51 2HD LYS 51 -1.401 0.493 -13.461 436 HD3 LYS 51 1HD LYS 51 0.120 0.719 -12.605 437 HE2 LYS 51 2HE LYS 51 1.344 0.416 -14.706 438 HE3 LYS 51 1HE LYS 51 -0.178 0.192 -15.561 439 HZ1 LYS 51 3HZ LYS 51 0.650 2.439 -15.806 440 HZ2 LYS 51 1HZ LYS 51 0.652 2.656 -14.130 441 HZ3 LYS 51 2HZ LYS 51 -0.805 2.447 -14.957 442 H SER 52 HN SER 52 -3.207 -4.266 -14.742 443 HA SER 52 HA SER 52 -3.548 -4.054 -17.554 444 HB2 SER 52 2HB SER 52 -2.933 -6.166 -16.398 445 HB3 SER 52 1HB SER 52 -4.544 -6.222 -15.688 446 HG SER 52 HG SER 52 -4.524 -7.497 -17.512 447 H GLY 53 HN GLY 53 -5.591 -3.396 -14.872 448 HA2 GLY 53 2HA GLY 53 -7.592 -2.169 -15.058 449 HA3 GLY 53 1HA GLY 53 -7.747 -2.717 -16.721 450 H GLU 54 HN GLU 54 -6.955 -5.113 -14.408 451 HA GLU 54 HA GLU 54 -9.259 -6.653 -14.931 452 HB2 GLU 54 2HB GLU 54 -7.156 -6.818 -12.786 453 HB3 GLU 54 1HB GLU 54 -8.497 -7.941 -12.857 454 HG2 GLU 54 2HG GLU 54 -7.747 -8.601 -15.128 455 HG3 GLU 54 1HG GLU 54 -6.338 -7.557 -14.911 456 H GLU 55 HN GLU 55 -8.246 -5.227 -11.848 457 HA GLU 55 HA GLU 55 -11.043 -4.718 -11.191 458 HB2 GLU 55 2HB GLU 55 -9.092 -6.288 -9.500 459 HB3 GLU 55 1HB GLU 55 -10.642 -5.692 -8.919 460 HG2 GLU 55 2HG GLU 55 -11.851 -7.128 -10.323 461 HG3 GLU 55 1HG GLU 55 -10.449 -7.460 -11.334 462 H ASP 56 HN ASP 56 -11.257 -3.322 -9.275 463 HA ASP 56 HA ASP 56 -9.458 -1.093 -9.517 464 HB2 ASP 56 2HB ASP 56 -11.960 -1.553 -7.910 465 HB3 ASP 56 1HB ASP 56 -11.006 -0.085 -7.757 466 H PHE 57 HN PHE 57 -8.159 -0.197 -7.993 467 HA PHE 57 HA PHE 57 -6.873 -1.919 -6.163 468 HB2 PHE 57 2HB PHE 57 -5.676 -0.062 -7.152 469 HB3 PHE 57 1HB PHE 57 -6.813 1.087 -6.464 470 HD1 PHE 57 1HD PHE 57 -4.160 -1.341 -5.608 471 HD2 PHE 57 2HD PHE 57 -6.507 1.952 -4.300 472 HE1 PHE 57 1HE PHE 57 -2.722 -1.104 -3.642 473 HE2 PHE 57 2HE PHE 57 -5.064 2.190 -2.326 474 HZ PHE 57 HZ PHE 57 -3.172 0.664 -1.997 475 H GLU 58 HN GLU 58 -9.263 0.639 -5.812 476 HA GLU 58 HA GLU 58 -9.391 0.741 -3.018 477 HB2 GLU 58 2HB GLU 58 -11.562 1.236 -5.061 478 HB3 GLU 58 1HB GLU 58 -11.636 1.718 -3.371 479 HG2 GLU 58 2HG GLU 58 -9.967 3.331 -3.636 480 HG3 GLU 58 1HG GLU 58 -9.422 2.647 -5.165 481 H SER 59 HN SER 59 -10.860 -1.436 -5.325 482 HA SER 59 HA SER 59 -12.603 -2.686 -3.423 483 HB2 SER 59 2HB SER 59 -13.185 -2.613 -5.811 484 HB3 SER 59 1HB SER 59 -11.753 -3.567 -6.196 485 HG SER 59 HG SER 59 -13.508 -4.930 -6.095 486 H LEU 60 HN LEU 60 -9.396 -3.290 -4.729 487 HA LEU 60 HA LEU 60 -9.165 -5.897 -3.556 488 HB2 LEU 60 2HB LEU 60 -7.054 -4.053 -4.672 489 HB3 LEU 60 1HB LEU 60 -6.773 -5.710 -4.182 490 HG LEU 60 HG LEU 60 -8.579 -4.833 -6.439 491 HD11 LEU 60 1HD1 LEU 60 -5.873 -6.157 -6.476 492 HD12 LEU 60 2HD1 LEU 60 -6.229 -4.497 -6.956 493 HD13 LEU 60 3HD1 LEU 60 -6.887 -5.845 -7.884 494 HD21 LEU 60 3HD2 LEU 60 -8.690 -7.227 -6.976 495 HD22 LEU 60 1HD2 LEU 60 -9.384 -6.878 -5.392 496 HD23 LEU 60 2HD2 LEU 60 -7.775 -7.591 -5.513 497 H ALA 61 HN ALA 61 -8.107 -2.645 -2.695 498 HA ALA 61 HA ALA 61 -6.502 -3.405 -0.485 499 HB1 ALA 61 1HB ALA 61 -6.470 -1.044 0.079 500 HB2 ALA 61 2HB ALA 61 -7.803 -0.742 -1.034 501 HB3 ALA 61 3HB ALA 61 -6.239 -1.268 -1.655 502 H SER 62 HN SER 62 -9.888 -3.210 -0.835 503 HA SER 62 HA SER 62 -10.291 -2.860 2.024 504 HB2 SER 62 2HB SER 62 -12.762 -3.009 1.290 505 HB3 SER 62 1HB SER 62 -11.841 -1.577 0.830 506 HG SER 62 HG SER 62 -11.902 -2.166 -1.212 507 H GLN 63 HN GLN 63 -9.617 -5.370 0.001 508 HA GLN 63 HA GLN 63 -11.081 -7.268 1.714 509 HB2 GLN 63 2HB GLN 63 -10.530 -7.560 -1.239 510 HB3 GLN 63 1HB GLN 63 -11.267 -8.783 -0.218 511 HG2 GLN 63 2HG GLN 63 -13.166 -7.329 0.185 512 HG3 GLN 63 1HG GLN 63 -12.416 -6.063 -0.788 513 HE21 GLN 63 1HE2 GLN 63 -12.286 -6.318 -3.016 514 HE22 GLN 63 2HE2 GLN 63 -13.265 -7.470 -3.860 515 H PHE 64 HN PHE 64 -8.392 -7.121 -0.620 516 HA PHE 64 HA PHE 64 -7.127 -9.382 0.731 517 HB2 PHE 64 2HB PHE 64 -6.433 -8.004 -1.865 518 HB3 PHE 64 1HB PHE 64 -5.669 -9.461 -1.241 519 HD1 PHE 64 1HD PHE 64 -7.071 -11.528 -0.957 520 HD2 PHE 64 2HD PHE 64 -8.410 -8.111 -3.103 521 HE1 PHE 64 1HE PHE 64 -8.778 -12.903 -2.069 522 HE2 PHE 64 2HE PHE 64 -10.120 -9.477 -4.220 523 HZ PHE 64 HZ PHE 64 -10.306 -11.878 -3.702 524 H SER 65 HN SER 65 -7.096 -6.948 2.135 525 HA SER 65 HA SER 65 -4.221 -6.327 2.078 526 HB2 SER 65 2HB SER 65 -5.747 -4.428 1.366 527 HB3 SER 65 1HB SER 65 -6.420 -4.455 2.993 528 HG SER 65 HG SER 65 -4.816 -2.932 2.962 529 H ASP 66 HN ASP 66 -3.160 -6.772 3.933 530 HA ASP 66 HA ASP 66 -4.525 -8.118 6.047 531 HB2 ASP 66 2HB ASP 66 -1.691 -7.061 5.967 532 HB3 ASP 66 1HB ASP 66 -2.332 -8.148 7.191 533 H SER 67 HN SER 67 -3.523 -4.855 5.504 534 HA SER 67 HA SER 67 -3.539 -3.898 8.140 535 HB2 SER 67 2HB SER 67 -3.949 -1.663 7.061 536 HB3 SER 67 1HB SER 67 -2.570 -2.547 6.412 537 HG SER 67 HG SER 67 -4.706 -3.270 5.033 538 H SER 68 HN SER 68 -5.111 -2.963 9.405 539 HA SER 68 HA SER 68 -7.784 -3.877 9.004 540 HB2 SER 68 2HB SER 68 -6.621 -2.009 11.076 541 HB3 SER 68 1HB SER 68 -8.232 -2.724 11.137 542 HG SER 68 HG SER 68 -7.319 -4.746 11.304 543 H SER 69 HN SER 69 -6.079 -1.271 7.862 544 HA SER 69 HA SER 69 -8.038 0.770 7.873 545 HB2 SER 69 2HB SER 69 -5.702 0.406 5.988 546 HB3 SER 69 1HB SER 69 -6.568 1.908 6.315 547 HG SER 69 HG SER 69 -5.483 2.150 8.103 548 H ALA 70 HN ALA 70 -8.009 -2.147 6.325 549 HA ALA 70 HA ALA 70 -8.794 -1.732 3.707 550 HB1 ALA 70 1HB ALA 70 -9.836 -3.931 3.823 551 HB2 ALA 70 2HB ALA 70 -9.783 -3.873 5.585 552 HB3 ALA 70 3HB ALA 70 -8.283 -3.928 4.659 553 H LYS 71 HN LYS 71 -10.691 -1.410 6.649 554 HA LYS 71 HA LYS 71 -13.238 -1.298 5.414 555 HB2 LYS 71 2HB LYS 71 -12.254 -0.200 8.042 556 HB3 LYS 71 1HB LYS 71 -13.936 -0.153 7.543 557 HG2 LYS 71 2HG LYS 71 -12.309 -2.664 7.864 558 HG3 LYS 71 1HG LYS 71 -13.430 -2.021 9.065 559 HD2 LYS 71 2HD LYS 71 -15.280 -2.273 7.514 560 HD3 LYS 71 1HD LYS 71 -14.179 -2.820 6.250 561 HE2 LYS 71 2HE LYS 71 -14.670 -4.220 8.875 562 HE3 LYS 71 1HE LYS 71 -15.361 -4.686 7.321 563 HZ1 LYS 71 3HZ LYS 71 -13.427 -6.014 7.872 564 HZ2 LYS 71 1HZ LYS 71 -12.464 -4.629 7.974 565 HZ3 LYS 71 2HZ LYS 71 -13.133 -5.090 6.490 566 H ALA 72 HN ALA 72 -10.776 1.097 6.026 567 HA ALA 72 HA ALA 72 -12.458 3.239 5.010 568 HB1 ALA 72 1HB ALA 72 -10.525 4.679 5.470 569 HB2 ALA 72 2HB ALA 72 -9.563 3.260 5.882 570 HB3 ALA 72 3HB ALA 72 -10.943 3.708 6.883 571 H ARG 73 HN ARG 73 -11.079 0.750 3.621 572 HA ARG 73 HA ARG 73 -10.375 0.184 1.555 573 HB2 ARG 73 2HB ARG 73 -11.508 2.902 1.017 574 HB3 ARG 73 1HB ARG 73 -10.600 2.094 -0.251 575 HG2 ARG 73 2HG ARG 73 -12.977 1.711 -0.520 576 HG3 ARG 73 1HG ARG 73 -12.152 0.200 -0.151 577 HD2 ARG 73 2HD ARG 73 -12.829 0.533 2.249 578 HD3 ARG 73 1HD ARG 73 -13.815 1.893 1.712 579 HE ARG 73 HE ARG 73 -14.515 -0.290 0.151 580 HH11 ARG 73 1HH1 ARG 73 -14.721 0.653 3.531 581 HH12 ARG 73 2HH1 ARG 73 -16.079 -0.364 3.854 582 HH21 ARG 73 1HH2 ARG 73 -16.307 -1.634 0.595 583 HH22 ARG 73 2HH2 ARG 73 -16.978 -1.679 2.190 584 H GLY 74 HN GLY 74 -8.674 1.649 3.562 585 HA2 GLY 74 2HA GLY 74 -6.446 2.150 3.737 586 HA3 GLY 74 1HA GLY 74 -6.260 1.572 2.086 587 H ASP 75 HN ASP 75 -8.541 4.089 2.620 588 HA ASP 75 HA ASP 75 -6.828 5.889 1.102 589 HB2 ASP 75 2HB ASP 75 -9.094 5.642 0.290 590 HB3 ASP 75 1HB ASP 75 -9.744 6.086 1.865 591 H LEU 76 HN LEU 76 -6.048 7.794 1.819 592 HA LEU 76 HA LEU 76 -6.518 8.442 4.659 593 HB2 LEU 76 2HB LEU 76 -4.076 8.854 2.942 594 HB3 LEU 76 1HB LEU 76 -4.278 9.585 4.518 595 HG LEU 76 HG LEU 76 -4.208 6.614 4.003 596 HD11 LEU 76 1HD1 LEU 76 -2.091 8.455 5.111 597 HD12 LEU 76 2HD1 LEU 76 -2.056 7.674 3.530 598 HD13 LEU 76 3HD1 LEU 76 -1.983 6.698 4.998 599 HD21 LEU 76 3HD2 LEU 76 -3.967 6.472 6.442 600 HD22 LEU 76 1HD2 LEU 76 -5.499 7.212 5.980 601 HD23 LEU 76 2HD2 LEU 76 -4.171 8.219 6.557 602 H GLY 77 HN GLY 77 -7.434 9.374 1.706 603 HA2 GLY 77 2HA GLY 77 -8.373 11.320 0.925 604 HA3 GLY 77 1HA GLY 77 -8.123 12.017 2.521 605 H ALA 78 HN ALA 78 -7.462 13.985 1.531 606 HA ALA 78 HA ALA 78 -4.994 13.898 -0.011 607 HB1 ALA 78 1HB ALA 78 -5.356 16.287 -0.364 608 HB2 ALA 78 2HB ALA 78 -6.733 16.251 0.736 609 HB3 ALA 78 3HB ALA 78 -6.798 15.366 -0.788 610 H PHE 79 HN PHE 79 -3.217 13.701 1.155 611 HA PHE 79 HA PHE 79 -2.991 15.304 3.611 612 HB2 PHE 79 2HB PHE 79 -1.292 13.583 4.353 613 HB3 PHE 79 1HB PHE 79 -2.954 13.018 4.276 614 HD1 PHE 79 1HD PHE 79 -3.658 11.476 2.497 615 HD2 PHE 79 2HD PHE 79 0.397 12.683 2.934 616 HE1 PHE 79 1HE PHE 79 -2.950 9.598 1.074 617 HE2 PHE 79 2HE PHE 79 1.108 10.814 1.514 618 HZ PHE 79 HZ PHE 79 -0.564 9.266 0.579 619 H SER 80 HN SER 80 -0.551 15.665 4.175 620 HA SER 80 HA SER 80 1.155 16.053 1.901 621 HB2 SER 80 2HB SER 80 -0.466 17.931 1.694 622 HB3 SER 80 1HB SER 80 0.030 18.493 3.288 623 HG SER 80 HG SER 80 1.188 18.886 0.900 624 H ARG 81 HN ARG 81 3.111 17.376 2.558 625 HA ARG 81 HA ARG 81 4.957 17.693 3.784 626 HB2 ARG 81 2HB ARG 81 3.013 17.791 6.083 627 HB3 ARG 81 1HB ARG 81 4.722 18.174 6.224 628 HG2 ARG 81 2HG ARG 81 4.403 19.969 4.540 629 HG3 ARG 81 1HG ARG 81 2.671 19.625 4.566 630 HD2 ARG 81 2HD ARG 81 3.174 21.500 6.021 631 HD3 ARG 81 1HD ARG 81 2.628 20.118 6.971 632 HE ARG 81 HE ARG 81 5.477 20.224 6.735 633 HH11 ARG 81 1HH1 ARG 81 2.745 21.505 8.529 634 HH12 ARG 81 2HH1 ARG 81 3.678 21.902 9.926 635 HH21 ARG 81 1HH2 ARG 81 6.721 20.744 8.579 636 HH22 ARG 81 2HH2 ARG 81 5.964 21.455 9.960 637 H GLY 82 HN GLY 82 3.312 15.795 6.277 638 HA2 GLY 82 2HA GLY 82 4.655 13.384 5.700 639 HA3 GLY 82 1HA GLY 82 5.565 14.287 6.900 640 H GLN 83 HN GLN 83 2.590 12.655 6.188 641 HA GLN 83 HA GLN 83 1.795 12.848 9.012 642 HB2 GLN 83 2HB GLN 83 0.191 11.837 6.652 643 HB3 GLN 83 1HB GLN 83 -0.408 12.141 8.277 644 HG2 GLN 83 2HG GLN 83 0.610 14.214 6.340 645 HG3 GLN 83 1HG GLN 83 -1.076 13.910 6.753 646 HE21 GLN 83 1HE2 GLN 83 -1.844 14.558 8.761 647 HE22 GLN 83 2HE2 GLN 83 -0.992 15.692 9.750 648 H MET 84 HN MET 84 2.942 10.756 6.544 649 HA MET 84 HA MET 84 2.675 8.428 8.333 650 HB2 MET 84 2HB MET 84 1.570 8.414 6.013 651 HB3 MET 84 1HB MET 84 3.197 8.358 5.362 652 HG2 MET 84 2HG MET 84 2.196 6.151 5.439 653 HG3 MET 84 1HG MET 84 3.601 6.249 6.496 654 HE1 MET 84 3HE MET 84 -0.744 6.416 8.056 655 HE2 MET 84 1HE MET 84 -0.326 6.351 6.345 656 HE3 MET 84 2HE MET 84 0.059 7.787 7.294 657 H GLN 85 HN GLN 85 4.563 6.803 7.911 658 HA GLN 85 HA GLN 85 6.994 7.925 8.657 659 HB2 GLN 85 2HB GLN 85 6.311 5.276 7.411 660 HB3 GLN 85 1HB GLN 85 7.968 5.698 7.817 661 HG2 GLN 85 2HG GLN 85 5.678 5.649 9.759 662 HG3 GLN 85 1HG GLN 85 6.863 4.359 9.551 663 HE21 GLN 85 1HE2 GLN 85 8.983 4.697 10.223 664 HE22 GLN 85 2HE2 GLN 85 9.402 5.960 11.324 665 H LYS 86 HN LYS 86 8.859 8.492 7.609 666 HA LYS 86 HA LYS 86 8.624 9.860 5.250 667 HB2 LYS 86 2HB LYS 86 10.430 10.223 6.888 668 HB3 LYS 86 1HB LYS 86 11.209 8.745 6.347 669 HG2 LYS 86 2HG LYS 86 12.270 10.677 5.352 670 HG3 LYS 86 1HG LYS 86 11.472 9.713 4.106 671 HD2 LYS 86 2HD LYS 86 9.545 11.256 4.183 672 HD3 LYS 86 1HD LYS 86 10.398 12.235 5.377 673 HE2 LYS 86 2HE LYS 86 11.306 11.675 2.557 674 HE3 LYS 86 1HE LYS 86 10.593 13.179 3.134 675 HZ1 LYS 86 3HZ LYS 86 12.958 13.397 3.044 676 HZ2 LYS 86 1HZ LYS 86 13.185 12.014 3.985 677 HZ3 LYS 86 2HZ LYS 86 12.487 13.395 4.663 678 HA PRO 87 HA PRO 87 10.822 6.117 2.805 679 HB2 PRO 87 2HB PRO 87 9.429 3.963 4.337 680 HB3 PRO 87 1HB PRO 87 11.013 3.937 3.554 681 HG2 PRO 87 2HG PRO 87 10.835 4.162 6.188 682 HG3 PRO 87 1HG PRO 87 12.033 5.106 5.283 683 HD2 PRO 87 2HD PRO 87 9.450 5.984 6.494 684 HD3 PRO 87 1HD PRO 87 10.992 6.851 6.365 685 H PHE 88 HN PHE 88 7.634 5.923 4.288 686 HA PHE 88 HA PHE 88 6.356 4.896 1.912 687 HB2 PHE 88 2HB PHE 88 5.561 4.233 4.139 688 HB3 PHE 88 1HB PHE 88 5.217 5.909 4.530 689 HD1 PHE 88 1HD PHE 88 3.356 7.086 3.337 690 HD2 PHE 88 2HD PHE 88 4.019 2.902 2.952 691 HE1 PHE 88 1HE PHE 88 1.061 6.805 2.504 692 HE2 PHE 88 2HE PHE 88 1.724 2.618 2.115 693 HZ PHE 88 HZ PHE 88 0.244 4.571 1.892 694 H GLU 89 HN GLU 89 6.311 7.909 3.788 695 HA GLU 89 HA GLU 89 4.497 9.322 2.189 696 HB2 GLU 89 2HB GLU 89 5.524 9.814 4.553 697 HB3 GLU 89 1HB GLU 89 6.705 10.728 3.623 698 HG2 GLU 89 2HG GLU 89 5.043 12.248 4.287 699 HG3 GLU 89 1HG GLU 89 4.786 11.940 2.573 700 H ASP 90 HN ASP 90 7.915 8.806 1.910 701 HA ASP 90 HA ASP 90 8.561 10.799 0.049 702 HB2 ASP 90 2HB ASP 90 10.270 9.536 1.231 703 HB3 ASP 90 1HB ASP 90 9.748 8.045 0.462 704 H ALA 91 HN ALA 91 6.971 7.729 -0.276 705 HA ALA 91 HA ALA 91 7.113 7.772 -3.177 706 HB1 ALA 91 1HB ALA 91 5.936 5.631 -3.056 707 HB2 ALA 91 2HB ALA 91 5.768 5.822 -1.311 708 HB3 ALA 91 3HB ALA 91 7.367 5.633 -2.024 709 H SER 92 HN SER 92 4.941 8.644 -0.613 710 HA SER 92 HA SER 92 2.484 8.562 -1.924 711 HB2 SER 92 2HB SER 92 3.370 10.621 0.106 712 HB3 SER 92 1HB SER 92 1.714 10.138 -0.261 713 HG SER 92 HG SER 92 2.736 9.179 1.650 714 H PHE 93 HN PHE 93 4.969 11.068 -1.882 715 HA PHE 93 HA PHE 93 3.380 12.784 -3.621 716 HB2 PHE 93 2HB PHE 93 6.153 13.243 -2.508 717 HB3 PHE 93 1HB PHE 93 5.144 14.435 -3.314 718 HD1 PHE 93 1HD PHE 93 2.752 14.736 -2.188 719 HD2 PHE 93 2HD PHE 93 6.224 13.265 -0.226 720 HE1 PHE 93 1HE PHE 93 1.797 15.389 -0.019 721 HE2 PHE 93 2HE PHE 93 5.277 13.912 1.948 722 HZ PHE 93 HZ PHE 93 3.059 14.974 2.054 723 H ALA 94 HN ALA 94 4.880 10.127 -4.320 724 HA ALA 94 HA ALA 94 6.680 11.059 -6.383 725 HB1 ALA 94 1HB ALA 94 7.137 8.718 -6.815 726 HB2 ALA 94 2HB ALA 94 5.805 8.242 -5.763 727 HB3 ALA 94 3HB ALA 94 7.221 9.041 -5.083 728 H LEU 95 HN LEU 95 3.407 10.019 -6.096 729 HA LEU 95 HA LEU 95 3.077 9.398 -8.888 730 HB2 LEU 95 2HB LEU 95 0.956 9.854 -6.788 731 HB3 LEU 95 1HB LEU 95 0.702 9.158 -8.370 732 HG LEU 95 HG LEU 95 0.660 7.301 -7.015 733 HD11 LEU 95 1HD1 LEU 95 3.554 7.536 -7.779 734 HD12 LEU 95 2HD1 LEU 95 2.245 6.905 -8.779 735 HD13 LEU 95 3HD1 LEU 95 2.731 6.048 -7.318 736 HD21 LEU 95 3HD2 LEU 95 2.120 6.893 -5.106 737 HD22 LEU 95 1HD2 LEU 95 1.248 8.415 -4.934 738 HD23 LEU 95 2HD2 LEU 95 2.947 8.420 -5.404 739 H ARG 96 HN ARG 96 2.598 10.753 -10.477 740 HA ARG 96 HA ARG 96 2.288 13.570 -9.853 741 HB2 ARG 96 2HB ARG 96 2.408 12.201 -12.542 742 HB3 ARG 96 1HB ARG 96 2.533 13.929 -12.250 743 HG2 ARG 96 2HG ARG 96 4.487 11.861 -11.264 744 HG3 ARG 96 1HG ARG 96 4.704 12.866 -12.696 745 HD2 ARG 96 2HD ARG 96 4.699 14.866 -11.335 746 HD3 ARG 96 1HD ARG 96 4.353 13.917 -9.890 747 HE ARG 96 HE ARG 96 6.679 12.910 -11.034 748 HH11 ARG 96 1HH1 ARG 96 5.623 15.910 -9.550 749 HH12 ARG 96 2HH1 ARG 96 7.177 16.268 -8.890 750 HH21 ARG 96 1HH2 ARG 96 8.741 13.402 -10.148 751 HH22 ARG 96 2HH2 ARG 96 8.937 14.842 -9.199 752 H THR 97 HN THR 97 0.550 11.426 -12.129 753 HA THR 97 HA THR 97 -1.967 12.635 -11.242 754 HB THR 97 HB THR 97 -1.144 12.383 -14.143 755 HG1 THR 97 1HG THR 97 -1.467 14.626 -12.418 756 HG21 THR 97 3HG2 THR 97 -3.254 13.574 -14.606 757 HG22 THR 97 1HG2 THR 97 -3.663 13.498 -12.893 758 HG23 THR 97 2HG2 THR 97 -3.541 12.014 -13.836 759 H GLY 98 HN GLY 98 -3.059 10.953 -10.490 760 HA2 GLY 98 2HA GLY 98 -3.995 8.856 -10.310 761 HA3 GLY 98 1HA GLY 98 -4.202 8.987 -12.047 762 H GLU 99 HN GLU 99 -1.250 8.664 -10.104 763 HA GLU 99 HA GLU 99 -0.575 6.335 -11.756 764 HB2 GLU 99 2HB GLU 99 1.301 8.046 -10.134 765 HB3 GLU 99 1HB GLU 99 1.743 6.798 -11.289 766 HG2 GLU 99 2HG GLU 99 0.613 8.205 -13.043 767 HG3 GLU 99 1HG GLU 99 0.516 9.478 -11.831 768 H MET 100 HN MET 100 0.671 4.622 -10.703 769 HA MET 100 HA MET 100 -0.002 4.360 -7.853 770 HB2 MET 100 2HB MET 100 -1.443 2.933 -9.291 771 HB3 MET 100 1HB MET 100 -0.002 2.143 -9.906 772 HG2 MET 100 2HG MET 100 0.510 1.284 -7.704 773 HG3 MET 100 1HG MET 100 -0.865 2.147 -7.022 774 HE1 MET 100 3HE MET 100 -1.200 -1.400 -9.949 775 HE2 MET 100 1HE MET 100 0.321 -0.741 -9.352 776 HE3 MET 100 2HE MET 100 -0.674 0.201 -10.462 777 H SER 101 HN SER 101 1.589 3.694 -6.548 778 HA SER 101 HA SER 101 4.241 3.428 -7.705 779 HB2 SER 101 2HB SER 101 3.836 4.940 -5.748 780 HB3 SER 101 1HB SER 101 3.415 3.524 -4.789 781 HG SER 101 HG SER 101 5.487 2.831 -4.869 782 H GLY 102 HN GLY 102 5.606 1.661 -7.218 783 HA2 GLY 102 2HA GLY 102 4.195 -0.845 -7.149 784 HA3 GLY 102 1HA GLY 102 5.921 -0.619 -7.379 785 HA PRO 103 HA PRO 103 5.540 -2.542 -3.275 786 HB2 PRO 103 2HB PRO 103 8.036 -3.627 -3.275 787 HB3 PRO 103 1HB PRO 103 6.652 -4.389 -4.064 788 HG2 PRO 103 2HG PRO 103 8.845 -2.743 -5.255 789 HG3 PRO 103 1HG PRO 103 8.092 -4.226 -5.873 790 HD2 PRO 103 2HD PRO 103 7.462 -1.761 -6.799 791 HD3 PRO 103 1HD PRO 103 6.291 -3.094 -6.749 792 H VAL 104 HN VAL 104 5.549 -0.771 -1.952 793 HA VAL 104 HA VAL 104 8.043 0.671 -1.503 794 HB VAL 104 HB VAL 104 5.336 1.071 -0.193 795 HG11 VAL 104 1HG1 VAL 104 7.782 2.840 -0.241 796 HG12 VAL 104 2HG1 VAL 104 7.170 1.945 1.149 797 HG13 VAL 104 3HG1 VAL 104 6.221 3.262 0.462 798 HG21 VAL 104 3HG2 VAL 104 5.084 2.987 -1.706 799 HG22 VAL 104 1HG2 VAL 104 5.207 1.468 -2.594 800 HG23 VAL 104 2HG2 VAL 104 6.596 2.551 -2.504 801 H PHE 105 HN PHE 105 9.455 -0.289 -0.192 802 HA PHE 105 HA PHE 105 8.594 -2.186 1.812 803 HB2 PHE 105 2HB PHE 105 11.329 -1.230 0.965 804 HB3 PHE 105 1HB PHE 105 11.070 -2.401 2.252 805 HD1 PHE 105 1HD PHE 105 10.748 -1.801 -1.369 806 HD2 PHE 105 2HD PHE 105 10.533 -4.666 1.769 807 HE1 PHE 105 1HE PHE 105 10.708 -3.612 -3.031 808 HE2 PHE 105 2HE PHE 105 10.493 -6.482 0.113 809 HZ PHE 105 HZ PHE 105 10.580 -5.956 -2.291 810 H THR 106 HN THR 106 8.319 -1.836 3.887 811 HA THR 106 HA THR 106 9.472 0.545 5.168 812 HB THR 106 HB THR 106 7.288 0.869 6.368 813 HG1 THR 106 1HG THR 106 6.587 -1.170 4.560 814 HG21 THR 106 3HG2 THR 106 6.148 2.014 4.509 815 HG22 THR 106 1HG2 THR 106 7.181 1.167 3.359 816 HG23 THR 106 2HG2 THR 106 7.883 2.329 4.486 817 H ASP 107 HN ASP 107 8.318 0.223 7.663 818 HA ASP 107 HA ASP 107 9.825 -1.937 8.744 819 HB2 ASP 107 2HB ASP 107 7.775 -0.122 10.020 820 HB3 ASP 107 1HB ASP 107 8.737 -1.296 10.905 821 H SER 108 HN SER 108 6.347 -1.364 8.382 822 HA SER 108 HA SER 108 5.547 -3.775 9.633 823 HB2 SER 108 2HB SER 108 3.922 -2.233 7.622 824 HB3 SER 108 1HB SER 108 3.350 -3.183 8.994 825 HG SER 108 HG SER 108 3.951 -1.610 10.366 826 H GLY 109 HN GLY 109 6.172 -2.871 6.291 827 HA2 GLY 109 2HA GLY 109 6.913 -5.280 5.305 828 HA3 GLY 109 1HA GLY 109 5.157 -5.345 5.230 829 H ILE 110 HN ILE 110 4.787 -5.207 3.090 830 HA ILE 110 HA ILE 110 6.058 -2.985 1.641 831 HB ILE 110 HB ILE 110 4.699 -5.393 0.413 832 HG12 ILE 110 2HG1 ILE 110 7.666 -4.975 0.868 833 HG13 ILE 110 1HG1 ILE 110 6.657 -6.072 1.802 834 HG21 ILE 110 1HG2 ILE 110 6.588 -3.315 -0.694 835 HG22 ILE 110 2HG2 ILE 110 4.867 -3.465 -1.049 836 HG23 ILE 110 3HG2 ILE 110 5.990 -4.716 -1.582 837 HD11 ILE 110 3HD1 ILE 110 7.935 -7.263 0.117 838 HD12 ILE 110 1HD1 ILE 110 7.219 -6.265 -1.150 839 HD13 ILE 110 2HD1 ILE 110 6.206 -7.369 -0.219 840 H HIS 111 HN HIS 111 4.804 -1.442 0.701 841 HA HIS 111 HA HIS 111 1.876 -1.758 0.968 842 HB2 HIS 111 2HB HIS 111 3.446 0.822 1.163 843 HB3 HIS 111 1HB HIS 111 1.703 0.661 1.288 844 HD1 HIS 111 1HD HIS 111 0.789 0.356 3.607 845 HD2 HIS 111 2HD HIS 111 4.862 -0.396 3.380 846 HE1 HIS 111 1HE HIS 111 1.563 0.126 5.979 847 HE2 HIS 111 2HE HIS 111 4.062 -0.048 5.806 848 H ILE 112 HN ILE 112 0.597 -0.866 -0.640 849 HA ILE 112 HA ILE 112 1.984 -0.034 -3.108 850 HB ILE 112 HB ILE 112 -0.785 -1.253 -2.852 851 HG12 ILE 112 2HG1 ILE 112 1.761 -2.482 -3.930 852 HG13 ILE 112 1HG1 ILE 112 1.005 -2.889 -2.392 853 HG21 ILE 112 1HG2 ILE 112 -0.599 0.286 -4.731 854 HG22 ILE 112 2HG2 ILE 112 -0.716 -1.375 -5.307 855 HG23 ILE 112 3HG2 ILE 112 0.844 -0.554 -5.298 856 HD11 ILE 112 3HD1 ILE 112 0.516 -4.549 -4.100 857 HD12 ILE 112 1HD1 ILE 112 -0.209 -3.305 -5.115 858 HD13 ILE 112 2HD1 ILE 112 -0.953 -3.729 -3.574 859 H ILE 113 HN ILE 113 1.562 2.007 -3.779 860 HA ILE 113 HA ILE 113 -0.569 3.469 -2.354 861 HB ILE 113 HB ILE 113 2.009 4.622 -3.445 862 HG12 ILE 113 2HG1 ILE 113 1.229 4.076 -0.570 863 HG13 ILE 113 1HG1 ILE 113 2.375 3.120 -1.503 864 HG21 ILE 113 1HG2 ILE 113 -0.148 5.850 -1.726 865 HG22 ILE 113 2HG2 ILE 113 0.174 6.223 -3.419 866 HG23 ILE 113 3HG2 ILE 113 1.366 6.631 -2.186 867 HD11 ILE 113 3HD1 ILE 113 3.519 4.655 -0.020 868 HD12 ILE 113 1HD1 ILE 113 2.677 6.019 -0.754 869 HD13 ILE 113 2HD1 ILE 113 3.825 5.078 -1.706 870 H LEU 114 HN LEU 114 -2.166 4.194 -3.595 871 HA LEU 114 HA LEU 114 -1.595 4.692 -6.444 872 HB2 LEU 114 2HB LEU 114 -3.021 2.775 -6.314 873 HB3 LEU 114 1HB LEU 114 -4.080 3.567 -5.164 874 HG LEU 114 HG LEU 114 -4.656 5.222 -6.990 875 HD11 LEU 114 1HD1 LEU 114 -3.337 3.175 -8.752 876 HD12 LEU 114 2HD1 LEU 114 -2.726 4.799 -8.426 877 HD13 LEU 114 3HD1 LEU 114 -4.253 4.584 -9.284 878 HD21 LEU 114 3HD2 LEU 114 -6.235 3.719 -8.088 879 HD22 LEU 114 1HD2 LEU 114 -6.169 3.434 -6.349 880 HD23 LEU 114 2HD2 LEU 114 -5.350 2.332 -7.456 881 H ARG 115 HN ARG 115 -1.752 6.753 -6.973 882 HA ARG 115 HA ARG 115 -3.339 8.555 -5.331 883 HB2 ARG 115 2HB ARG 115 -1.183 9.411 -6.019 884 HB3 ARG 115 1HB ARG 115 -1.525 9.045 -7.705 885 HG2 ARG 115 2HG ARG 115 -3.315 10.711 -7.705 886 HG3 ARG 115 1HG ARG 115 -2.969 11.080 -6.017 887 HD2 ARG 115 2HD ARG 115 -0.830 11.961 -6.567 888 HD3 ARG 115 1HD ARG 115 -0.933 11.348 -8.218 889 HE ARG 115 HE ARG 115 -2.857 12.927 -8.484 890 HH11 ARG 115 1HH1 ARG 115 -0.242 13.595 -6.243 891 HH12 ARG 115 2HH1 ARG 115 -0.528 15.300 -6.223 892 HH21 ARG 115 1HH2 ARG 115 -3.203 15.204 -8.460 893 HH22 ARG 115 2HH2 ARG 115 -2.198 16.210 -7.482 894 H THR 116 HN THR 116 -5.398 8.890 -5.791 895 HA THR 116 HA THR 116 -6.459 7.915 -8.295 896 HB THR 116 HB THR 116 -8.111 9.318 -6.220 897 HG1 THR 116 1HG THR 116 -7.452 6.564 -6.010 898 HG21 THR 116 3HG2 THR 116 -9.762 7.630 -6.889 899 HG22 THR 116 1HG2 THR 116 -8.576 6.884 -7.961 900 HG23 THR 116 2HG2 THR 116 -9.171 8.509 -8.299 901 H GLU 117 HN GLU 117 -5.298 10.868 -7.128 902 HA GLU 117 HA GLU 117 -7.052 12.571 -8.660 903 HB2 GLU 117 2HB GLU 117 -4.456 13.263 -7.281 904 HB3 GLU 117 1HB GLU 117 -5.642 14.401 -7.900 905 HG2 GLU 117 2HG GLU 117 -7.280 13.480 -6.285 906 HG3 GLU 117 1HG GLU 117 -5.985 12.490 -5.614 Start of MODEL 4 1 H1 GLY 1 1HT GLY 1 0.194 17.367 -16.427 2 H2 GLY 1 2HT GLY 1 -1.184 18.335 -16.592 3 H3 GLY 1 3HT GLY 1 -1.341 16.717 -16.125 4 HA2 GLY 1 1HA GLY 1 -1.624 18.134 -14.226 5 HA3 GLY 1 2HA GLY 1 -0.150 17.188 -14.071 6 H SER 2 HN SER 2 1.205 18.481 -12.965 7 HA SER 2 HA SER 2 1.982 20.970 -14.229 8 HB2 SER 2 2HB SER 2 0.208 21.648 -12.668 9 HB3 SER 2 1HB SER 2 1.054 20.841 -11.349 10 HG SER 2 HG SER 2 1.481 23.073 -11.377 11 H HIS 3 HN HIS 3 4.019 21.755 -13.493 12 HA HIS 3 HA HIS 3 5.785 19.640 -12.613 13 HB2 HIS 3 2HB HIS 3 6.322 22.533 -13.328 14 HB3 HIS 3 1HB HIS 3 7.569 21.364 -12.920 15 HD1 HIS 3 1HD HIS 3 5.861 22.775 -15.728 16 HD2 HIS 3 2HD HIS 3 7.521 19.074 -14.851 17 HE1 HIS 3 1HE HIS 3 6.194 21.646 -17.947 18 HE2 HIS 3 2HE HIS 3 7.446 19.540 -17.390 19 H MET 4 HN MET 4 4.116 22.331 -11.309 20 HA MET 4 HA MET 4 5.705 22.455 -8.897 21 HB2 MET 4 2HB MET 4 3.098 23.820 -9.628 22 HB3 MET 4 1HB MET 4 4.014 24.123 -8.162 23 HG2 MET 4 2HG MET 4 4.485 25.892 -9.654 24 HG3 MET 4 1HG MET 4 5.916 24.867 -9.612 25 HE1 MET 4 3HE MET 4 5.895 26.198 -13.301 26 HE2 MET 4 1HE MET 4 6.828 26.045 -11.812 27 HE3 MET 4 2HE MET 4 5.398 27.075 -11.853 28 H GLU 5 HN GLU 5 5.530 20.557 -7.856 29 HA GLU 5 HA GLU 5 3.068 19.137 -7.651 30 HB2 GLU 5 2HB GLU 5 5.630 18.679 -6.117 31 HB3 GLU 5 1HB GLU 5 4.313 17.536 -6.329 32 HG2 GLU 5 2HG GLU 5 4.767 17.617 -8.795 33 HG3 GLU 5 1HG GLU 5 6.210 18.555 -8.427 34 HA PRO 6 HA PRO 6 1.484 21.339 -4.148 35 HB2 PRO 6 2HB PRO 6 -0.570 19.690 -3.563 36 HB3 PRO 6 1HB PRO 6 -0.579 20.739 -4.986 37 HG2 PRO 6 2HG PRO 6 0.076 17.824 -4.786 38 HG3 PRO 6 1HG PRO 6 -0.921 18.662 -5.987 39 HD2 PRO 6 2HD PRO 6 1.649 17.951 -6.460 40 HD3 PRO 6 1HD PRO 6 0.905 19.394 -7.181 41 H ALA 7 HN ALA 7 1.057 21.054 -1.858 42 HA ALA 7 HA ALA 7 2.849 19.073 -0.682 43 HB1 ALA 7 1HB ALA 7 2.702 20.416 1.343 44 HB2 ALA 7 2HB ALA 7 1.477 21.439 0.592 45 HB3 ALA 7 3HB ALA 7 3.123 21.421 -0.043 46 H ARG 8 HN ARG 8 -0.442 19.496 -1.248 47 HA ARG 8 HA ARG 8 -1.121 17.544 0.854 48 HB2 ARG 8 2HB ARG 8 -2.841 19.675 -0.413 49 HB3 ARG 8 1HB ARG 8 -3.466 18.402 0.620 50 HG2 ARG 8 2HG ARG 8 -2.169 19.232 2.484 51 HG3 ARG 8 1HG ARG 8 -1.441 20.468 1.452 52 HD2 ARG 8 2HD ARG 8 -3.596 21.486 1.088 53 HD3 ARG 8 1HD ARG 8 -4.391 20.202 1.992 54 HE ARG 8 HE ARG 8 -2.931 21.072 3.909 55 HH11 ARG 8 1HH1 ARG 8 -4.239 23.105 1.359 56 HH12 ARG 8 2HH1 ARG 8 -4.419 24.488 2.382 57 HH21 ARG 8 1HH2 ARG 8 -3.185 22.911 5.269 58 HH22 ARG 8 2HH2 ARG 8 -3.819 24.377 4.611 59 H VAL 9 HN VAL 9 -1.626 15.602 0.133 60 HA VAL 9 HA VAL 9 -2.924 15.350 -2.480 61 HB VAL 9 HB VAL 9 -1.554 13.358 -3.027 62 HG11 VAL 9 1HG1 VAL 9 0.053 15.873 -2.611 63 HG12 VAL 9 2HG1 VAL 9 -0.951 15.491 -4.010 64 HG13 VAL 9 3HG1 VAL 9 0.494 14.539 -3.677 65 HG21 VAL 9 3HG2 VAL 9 0.540 12.938 -1.819 66 HG22 VAL 9 1HG2 VAL 9 -0.866 12.730 -0.776 67 HG23 VAL 9 2HG2 VAL 9 0.114 14.190 -0.653 68 H ARG 10 HN ARG 10 -4.239 13.541 -2.718 69 HA ARG 10 HA ARG 10 -4.857 12.142 -0.195 70 HB2 ARG 10 2HB ARG 10 -6.737 13.474 -1.098 71 HB3 ARG 10 1HB ARG 10 -6.628 12.582 -2.610 72 HG2 ARG 10 2HG ARG 10 -7.226 10.526 -1.478 73 HG3 ARG 10 1HG ARG 10 -7.268 11.371 0.068 74 HD2 ARG 10 2HD ARG 10 -9.072 12.820 -0.851 75 HD3 ARG 10 1HD ARG 10 -9.080 11.813 -2.299 76 HE ARG 10 HE ARG 10 -9.370 10.084 -0.157 77 HH11 ARG 10 1HH1 ARG 10 -11.181 12.750 -1.564 78 HH12 ARG 10 2HH1 ARG 10 -12.709 12.174 -1.004 79 HH21 ARG 10 1HH2 ARG 10 -11.387 9.341 0.610 80 HH22 ARG 10 2HH2 ARG 10 -12.831 10.233 0.234 81 H CYS 11 HN CYS 11 -4.077 10.140 -0.156 82 HA CYS 11 HA CYS 11 -4.020 8.663 -2.688 83 HB2 CYS 11 2HB CYS 11 -1.841 8.644 -0.594 84 HB3 CYS 11 1HB CYS 11 -1.866 7.682 -2.067 85 HG CYS 11 HG CYS 11 -0.639 10.654 -1.615 86 H SER 12 HN SER 12 -4.197 6.446 -2.556 87 HA SER 12 HA SER 12 -5.387 5.426 -0.081 88 HB2 SER 12 2HB SER 12 -5.484 4.240 -2.870 89 HB3 SER 12 1HB SER 12 -6.459 3.769 -1.477 90 HG SER 12 HG SER 12 -6.542 6.422 -2.416 91 H HIS 13 HN HIS 13 -4.626 3.342 0.697 92 HA HIS 13 HA HIS 13 -2.090 2.473 -0.479 93 HB2 HIS 13 2HB HIS 13 -0.869 2.556 1.577 94 HB3 HIS 13 1HB HIS 13 -1.581 4.140 1.307 95 HD1 HIS 13 1HD HIS 13 -0.735 2.502 4.082 96 HD2 HIS 13 2HD HIS 13 -4.503 3.617 2.738 97 HE1 HIS 13 1HE HIS 13 -2.184 2.578 6.125 98 HE2 HIS 13 2HE HIS 13 -4.412 3.421 5.312 99 H LEU 14 HN LEU 14 -1.472 0.408 -0.080 100 HA LEU 14 HA LEU 14 -3.393 -1.303 1.346 101 HB2 LEU 14 2HB LEU 14 -3.288 -1.622 -1.156 102 HB3 LEU 14 1HB LEU 14 -1.610 -2.080 -0.976 103 HG LEU 14 HG LEU 14 -3.764 -3.624 0.451 104 HD11 LEU 14 1HD1 LEU 14 -2.824 -4.064 -2.379 105 HD12 LEU 14 2HD1 LEU 14 -4.430 -3.528 -1.893 106 HD13 LEU 14 3HD1 LEU 14 -3.870 -5.140 -1.456 107 HD21 LEU 14 3HD2 LEU 14 -2.142 -5.447 0.256 108 HD22 LEU 14 1HD2 LEU 14 -1.430 -4.053 1.069 109 HD23 LEU 14 2HD2 LEU 14 -1.040 -4.384 -0.620 110 H LEU 15 HN LEU 15 -2.570 -2.502 2.959 111 HA LEU 15 HA LEU 15 0.357 -2.579 3.244 112 HB2 LEU 15 2HB LEU 15 -0.591 -0.948 4.807 113 HB3 LEU 15 1HB LEU 15 -1.697 -2.150 5.425 114 HG LEU 15 HG LEU 15 0.390 -1.515 6.823 115 HD11 LEU 15 1HD1 LEU 15 -0.266 -4.402 6.326 116 HD12 LEU 15 2HD1 LEU 15 -1.092 -3.312 7.439 117 HD13 LEU 15 3HD1 LEU 15 0.588 -3.764 7.731 118 HD21 LEU 15 3HD2 LEU 15 2.384 -2.851 6.367 119 HD22 LEU 15 1HD2 LEU 15 2.041 -1.732 5.046 120 HD23 LEU 15 2HD2 LEU 15 1.647 -3.444 4.878 121 H VAL 16 HN VAL 16 0.987 -4.587 2.956 122 HA VAL 16 HA VAL 16 -0.680 -6.721 4.069 123 HB VAL 16 HB VAL 16 -0.394 -6.913 1.640 124 HG11 VAL 16 1HG1 VAL 16 2.552 -7.030 2.244 125 HG12 VAL 16 2HG1 VAL 16 1.702 -5.804 1.302 126 HG13 VAL 16 3HG1 VAL 16 1.832 -7.455 0.693 127 HG21 VAL 16 3HG2 VAL 16 -0.636 -8.960 2.923 128 HG22 VAL 16 1HG2 VAL 16 1.108 -9.035 3.172 129 HG23 VAL 16 2HG2 VAL 16 0.440 -9.225 1.551 130 H LYS 17 HN LYS 17 0.028 -7.688 5.797 131 HA LYS 17 HA LYS 17 2.727 -7.275 6.724 132 HB2 LYS 17 2HB LYS 17 0.276 -8.527 7.930 133 HB3 LYS 17 1HB LYS 17 1.853 -8.695 8.690 134 HG2 LYS 17 2HG LYS 17 2.043 -6.325 8.969 135 HG3 LYS 17 1HG LYS 17 0.580 -6.052 8.022 136 HD2 LYS 17 2HD LYS 17 -0.793 -7.003 9.708 137 HD3 LYS 17 1HD LYS 17 0.604 -7.650 10.573 138 HE2 LYS 17 2HE LYS 17 1.323 -5.447 11.186 139 HE3 LYS 17 1HE LYS 17 0.099 -4.708 10.155 140 HZ1 LYS 17 3HZ LYS 17 -0.335 -4.862 12.654 141 HZ2 LYS 17 1HZ LYS 17 -0.688 -6.493 12.377 142 HZ3 LYS 17 2HZ LYS 17 -1.588 -5.272 11.605 143 H HIS 18 HN HIS 18 3.627 -9.368 7.912 144 HA HIS 18 HA HIS 18 3.348 -11.757 6.350 145 HB2 HIS 18 2HB HIS 18 5.823 -11.838 5.784 146 HB3 HIS 18 1HB HIS 18 4.866 -10.701 4.850 147 HD1 HIS 18 1HD HIS 18 7.967 -10.928 6.625 148 HD2 HIS 18 2HD HIS 18 5.171 -7.929 5.985 149 HE1 HIS 18 1HE HIS 18 9.173 -8.782 7.079 150 HE2 HIS 18 2HE HIS 18 7.559 -7.012 6.350 151 H SER 19 HN SER 19 5.120 -13.395 7.135 152 HA SER 19 HA SER 19 4.601 -13.890 9.814 153 HB2 SER 19 2HB SER 19 6.502 -15.567 9.590 154 HB3 SER 19 1HB SER 19 5.186 -15.715 8.427 155 HG SER 19 HG SER 19 7.391 -15.803 7.567 156 H GLN 20 HN GLN 20 7.663 -12.741 8.408 157 HA GLN 20 HA GLN 20 8.708 -12.149 11.058 158 HB2 GLN 20 2HB GLN 20 9.979 -11.773 8.341 159 HB3 GLN 20 1HB GLN 20 10.789 -11.595 9.889 160 HG2 GLN 20 2HG GLN 20 9.655 -14.126 8.730 161 HG3 GLN 20 1HG GLN 20 11.357 -13.707 8.902 162 HE21 GLN 20 1HE2 GLN 20 9.896 -15.982 9.943 163 HE22 GLN 20 2HE2 GLN 20 10.094 -15.945 11.659 164 H SER 21 HN SER 21 6.544 -10.625 10.617 165 HA SER 21 HA SER 21 7.414 -8.025 9.635 166 HB2 SER 21 2HB SER 21 5.205 -8.787 8.938 167 HB3 SER 21 1HB SER 21 4.725 -9.026 10.616 168 HG SER 21 HG SER 21 4.860 -6.700 9.114 169 H ARG 22 HN ARG 22 6.602 -6.147 11.016 170 HA ARG 22 HA ARG 22 7.848 -6.173 13.566 171 HB2 ARG 22 2HB ARG 22 7.547 -4.203 12.006 172 HB3 ARG 22 1HB ARG 22 5.855 -4.185 12.465 173 HG2 ARG 22 2HG ARG 22 6.461 -3.688 14.761 174 HG3 ARG 22 1HG ARG 22 8.176 -3.777 14.339 175 HD2 ARG 22 2HD ARG 22 7.826 -1.958 12.707 176 HD3 ARG 22 1HD ARG 22 6.155 -1.830 13.245 177 HE ARG 22 HE ARG 22 7.396 -1.448 15.534 178 HH11 ARG 22 1HH1 ARG 22 8.239 -0.211 12.354 179 HH12 ARG 22 2HH1 ARG 22 8.874 1.279 12.972 180 HH21 ARG 22 1HH2 ARG 22 8.251 0.530 16.343 181 HH22 ARG 22 2HH2 ARG 22 8.884 1.703 15.240 182 H ARG 23 HN ARG 23 4.744 -6.877 12.337 183 HA ARG 23 HA ARG 23 3.836 -7.812 14.914 184 HB2 ARG 23 2HB ARG 23 2.961 -5.498 14.802 185 HB3 ARG 23 1HB ARG 23 2.212 -5.859 13.256 186 HG2 ARG 23 2HG ARG 23 0.548 -5.907 14.990 187 HG3 ARG 23 1HG ARG 23 0.792 -7.541 14.376 188 HD2 ARG 23 2HD ARG 23 0.632 -7.592 16.786 189 HD3 ARG 23 1HD ARG 23 2.272 -8.008 16.292 190 HE ARG 23 HE ARG 23 1.926 -5.218 16.880 191 HH11 ARG 23 1HH1 ARG 23 2.591 -8.372 18.275 192 HH12 ARG 23 2HH1 ARG 23 3.394 -7.731 19.664 193 HH21 ARG 23 1HH2 ARG 23 2.989 -4.370 18.727 194 HH22 ARG 23 2HH2 ARG 23 3.617 -5.450 19.924 195 HA PRO 24 HA PRO 24 2.894 -10.761 11.545 196 HB2 PRO 24 2HB PRO 24 3.072 -12.986 13.044 197 HB3 PRO 24 1HB PRO 24 4.510 -12.120 12.487 198 HG2 PRO 24 2HG PRO 24 3.162 -12.023 15.163 199 HG3 PRO 24 1HG PRO 24 4.892 -12.142 14.787 200 HD2 PRO 24 2HD PRO 24 3.674 -9.804 15.461 201 HD3 PRO 24 1HD PRO 24 5.088 -9.884 14.392 202 H SER 25 HN SER 25 0.925 -9.342 13.353 203 HA SER 25 HA SER 25 -1.220 -11.335 13.190 204 HB2 SER 25 2HB SER 25 -0.846 -9.317 15.420 205 HB3 SER 25 1HB SER 25 -2.166 -10.478 15.277 206 HG SER 25 HG SER 25 -0.462 -12.120 15.276 207 H SER 26 HN SER 26 -3.250 -10.483 12.596 208 HA SER 26 HA SER 26 -3.279 -7.640 11.879 209 HB2 SER 26 2HB SER 26 -4.289 -8.165 9.726 210 HB3 SER 26 1HB SER 26 -2.746 -9.009 9.865 211 H TRP 27 HN TRP 27 -5.665 -7.179 11.052 212 HA TRP 27 HA TRP 27 -7.443 -7.958 13.187 213 HB2 TRP 27 2HB TRP 27 -9.042 -6.421 12.186 214 HB3 TRP 27 1HB TRP 27 -7.462 -5.652 12.246 215 HD1 TRP 27 1HD TRP 27 -6.143 -5.450 9.846 216 HE1 TRP 27 1HE TRP 27 -7.081 -5.194 7.451 217 HE3 TRP 27 3HE TRP 27 -10.922 -7.044 10.673 218 HZ2 TRP 27 2HZ TRP 27 -9.516 -5.617 6.110 219 HZ3 TRP 27 3HZ TRP 27 -12.495 -7.087 8.781 220 HH2 TRP 27 2HH TRP 27 -11.804 -6.388 6.551 221 H ARG 28 HN ARG 28 -6.425 -9.472 10.520 222 HA ARG 28 HA ARG 28 -9.012 -10.661 9.823 223 HB2 ARG 28 2HB ARG 28 -6.355 -10.987 8.423 224 HB3 ARG 28 1HB ARG 28 -7.933 -11.476 7.825 225 HG2 ARG 28 2HG ARG 28 -8.615 -9.149 7.659 226 HG3 ARG 28 1HG ARG 28 -7.060 -8.635 8.318 227 HD2 ARG 28 2HD ARG 28 -6.996 -8.391 5.933 228 HD3 ARG 28 1HD ARG 28 -5.946 -9.731 6.388 229 HE ARG 28 HE ARG 28 -8.662 -10.422 5.628 230 HH11 ARG 28 1HH1 ARG 28 -5.319 -10.138 4.625 231 HH12 ARG 28 2HH1 ARG 28 -5.511 -11.169 3.251 232 HH21 ARG 28 1HH2 ARG 28 -8.927 -11.766 3.811 233 HH22 ARG 28 2HH2 ARG 28 -7.581 -12.089 2.771 234 H GLN 29 HN GLN 29 -5.638 -11.589 10.539 235 HA GLN 29 HA GLN 29 -6.681 -14.028 11.784 236 HB2 GLN 29 2HB GLN 29 -4.646 -15.232 10.847 237 HB3 GLN 29 1HB GLN 29 -5.942 -14.871 9.720 238 HG2 GLN 29 2HG GLN 29 -4.681 -12.933 8.910 239 HG3 GLN 29 1HG GLN 29 -3.379 -13.330 10.030 240 HE21 GLN 29 1HE2 GLN 29 -3.637 -16.189 9.653 241 HE22 GLN 29 2HE2 GLN 29 -2.985 -16.538 8.095 242 H GLU 30 HN GLU 30 -4.998 -15.124 13.150 243 HA GLU 30 HA GLU 30 -3.963 -13.141 14.964 244 HB2 GLU 30 2HB GLU 30 -5.151 -15.279 15.630 245 HB3 GLU 30 1HB GLU 30 -3.686 -16.135 15.173 246 HG2 GLU 30 2HG GLU 30 -3.707 -15.799 17.547 247 HG3 GLU 30 1HG GLU 30 -2.431 -14.816 16.830 248 H LYS 31 HN LYS 31 -2.641 -15.590 12.803 249 HA LYS 31 HA LYS 31 -0.030 -14.310 13.111 250 HB2 LYS 31 2HB LYS 31 1.024 -16.601 12.964 251 HB3 LYS 31 1HB LYS 31 0.229 -16.221 14.482 252 HG2 LYS 31 2HG LYS 31 -1.627 -17.604 13.965 253 HG3 LYS 31 1HG LYS 31 -1.103 -17.788 12.291 254 HD2 LYS 31 2HD LYS 31 0.493 -18.761 14.658 255 HD3 LYS 31 1HD LYS 31 -0.658 -19.766 13.775 256 HE2 LYS 31 2HE LYS 31 0.623 -19.380 11.709 257 HE3 LYS 31 1HE LYS 31 1.784 -18.423 12.623 258 HZ1 LYS 31 3HZ LYS 31 2.496 -20.726 12.243 259 HZ2 LYS 31 1HZ LYS 31 1.178 -21.274 13.144 260 HZ3 LYS 31 2HZ LYS 31 2.381 -20.347 13.887 261 H ILE 32 HN ILE 32 0.808 -13.760 11.254 262 HA ILE 32 HA ILE 32 -0.408 -14.592 8.778 263 HB ILE 32 HB ILE 32 2.108 -12.944 9.123 264 HG12 ILE 32 2HG1 ILE 32 0.228 -11.945 10.407 265 HG13 ILE 32 1HG1 ILE 32 0.729 -10.941 9.054 266 HG21 ILE 32 1HG2 ILE 32 0.122 -13.182 6.869 267 HG22 ILE 32 2HG2 ILE 32 1.797 -13.740 6.876 268 HG23 ILE 32 3HG2 ILE 32 1.439 -12.013 6.929 269 HD11 ILE 32 3HD1 ILE 32 -1.692 -11.009 9.298 270 HD12 ILE 32 1HD1 ILE 32 -1.666 -12.760 9.094 271 HD13 ILE 32 2HD1 ILE 32 -1.180 -11.710 7.764 272 H THR 33 HN THR 33 0.190 -16.350 7.656 273 HA THR 33 HA THR 33 2.621 -17.750 8.385 274 HB THR 33 HB THR 33 0.463 -18.486 6.392 275 HG1 THR 33 1HG THR 33 0.972 -19.268 9.090 276 HG21 THR 33 3HG2 THR 33 2.606 -19.543 5.842 277 HG22 THR 33 1HG2 THR 33 1.452 -20.733 6.446 278 HG23 THR 33 2HG2 THR 33 2.740 -20.140 7.495 279 H ARG 34 HN ARG 34 1.281 -16.067 5.589 280 HA ARG 34 HA ARG 34 3.300 -16.780 3.773 281 HB2 ARG 34 2HB ARG 34 2.501 -14.840 2.423 282 HB3 ARG 34 1HB ARG 34 1.234 -15.952 2.908 283 HG2 ARG 34 2HG ARG 34 0.511 -14.424 4.638 284 HG3 ARG 34 1HG ARG 34 1.842 -13.331 4.259 285 HD2 ARG 34 2HD ARG 34 -0.288 -12.585 3.276 286 HD3 ARG 34 1HD ARG 34 0.929 -12.929 2.052 287 HE ARG 34 HE ARG 34 -0.331 -15.225 2.021 288 HH11 ARG 34 1HH1 ARG 34 -1.754 -12.030 2.292 289 HH12 ARG 34 2HH1 ARG 34 -3.228 -12.475 1.506 290 HH21 ARG 34 1HH2 ARG 34 -2.291 -15.812 0.954 291 HH22 ARG 34 2HH2 ARG 34 -3.524 -14.623 0.717 292 H THR 35 HN THR 35 5.303 -16.177 3.564 293 HA THR 35 HA THR 35 6.373 -14.107 5.242 294 HB THR 35 HB THR 35 7.676 -16.168 4.907 295 HG1 THR 35 1HG THR 35 9.560 -15.127 4.819 296 HG21 THR 35 3HG2 THR 35 7.798 -15.316 2.014 297 HG22 THR 35 1HG2 THR 35 7.004 -16.752 2.657 298 HG23 THR 35 2HG2 THR 35 8.761 -16.613 2.725 299 H LYS 36 HN LYS 36 8.027 -12.573 4.119 300 HA LYS 36 HA LYS 36 6.575 -10.772 2.534 301 HB2 LYS 36 2HB LYS 36 8.429 -10.076 3.976 302 HB3 LYS 36 1HB LYS 36 9.561 -10.974 2.984 303 HG2 LYS 36 2HG LYS 36 7.948 -8.839 1.681 304 HG3 LYS 36 1HG LYS 36 9.259 -8.356 2.756 305 HD2 LYS 36 2HD LYS 36 9.566 -10.237 0.408 306 HD3 LYS 36 1HD LYS 36 9.936 -8.513 0.365 307 HE2 LYS 36 2HE LYS 36 11.619 -8.837 2.124 308 HE3 LYS 36 1HE LYS 36 11.247 -10.555 2.170 309 HZ1 LYS 36 3HZ LYS 36 13.225 -10.027 0.839 310 HZ2 LYS 36 1HZ LYS 36 12.263 -9.134 -0.224 311 HZ3 LYS 36 2HZ LYS 36 12.021 -10.802 -0.058 312 H GLU 37 HN GLU 37 8.765 -13.345 1.695 313 HA GLU 37 HA GLU 37 9.202 -12.704 -1.009 314 HB2 GLU 37 2HB GLU 37 9.124 -15.433 0.283 315 HB3 GLU 37 1HB GLU 37 9.885 -15.035 -1.252 316 HG2 GLU 37 2HG GLU 37 10.696 -13.847 1.387 317 HG3 GLU 37 1HG GLU 37 11.455 -15.260 0.659 318 H GLU 38 HN GLU 38 6.705 -14.629 0.588 319 HA GLU 38 HA GLU 38 5.417 -15.480 -1.808 320 HB2 GLU 38 2HB GLU 38 4.382 -15.321 1.027 321 HB3 GLU 38 1HB GLU 38 3.561 -16.129 -0.299 322 HG2 GLU 38 2HG GLU 38 6.238 -16.867 0.848 323 HG3 GLU 38 1HG GLU 38 4.716 -17.715 1.119 324 H ALA 39 HN ALA 39 4.952 -12.853 0.476 325 HA ALA 39 HA ALA 39 2.545 -11.858 -0.570 326 HB1 ALA 39 1HB ALA 39 3.064 -9.814 0.653 327 HB2 ALA 39 2HB ALA 39 4.727 -10.356 0.874 328 HB3 ALA 39 3HB ALA 39 3.405 -11.237 1.639 329 H LEU 40 HN LEU 40 5.920 -11.190 -1.342 330 HA LEU 40 HA LEU 40 5.606 -8.994 -3.011 331 HB2 LEU 40 2HB LEU 40 7.776 -9.771 -2.244 332 HB3 LEU 40 1HB LEU 40 7.614 -11.233 -3.194 333 HG LEU 40 HG LEU 40 7.673 -9.888 -5.261 334 HD11 LEU 40 1HD1 LEU 40 8.129 -7.592 -3.367 335 HD12 LEU 40 2HD1 LEU 40 6.765 -7.808 -4.465 336 HD13 LEU 40 3HD1 LEU 40 8.382 -7.525 -5.110 337 HD21 LEU 40 3HD2 LEU 40 10.043 -9.290 -5.143 338 HD22 LEU 40 1HD2 LEU 40 9.728 -10.850 -4.384 339 HD23 LEU 40 2HD2 LEU 40 9.985 -9.420 -3.386 340 H GLU 41 HN GLU 41 5.436 -12.439 -3.813 341 HA GLU 41 HA GLU 41 5.188 -12.220 -6.592 342 HB2 GLU 41 2HB GLU 41 3.810 -14.262 -4.849 343 HB3 GLU 41 1HB GLU 41 4.231 -14.434 -6.545 344 HG2 GLU 41 2HG GLU 41 6.602 -14.368 -5.956 345 HG3 GLU 41 1HG GLU 41 6.167 -14.214 -4.254 346 H LEU 42 HN LEU 42 2.736 -12.251 -4.060 347 HA LEU 42 HA LEU 42 0.499 -12.065 -5.778 348 HB2 LEU 42 2HB LEU 42 0.758 -11.216 -2.895 349 HB3 LEU 42 1HB LEU 42 -0.747 -11.459 -3.757 350 HG LEU 42 HG LEU 42 1.271 -13.615 -3.127 351 HD11 LEU 42 1HD1 LEU 42 -1.422 -13.024 -1.912 352 HD12 LEU 42 2HD1 LEU 42 0.145 -12.814 -1.131 353 HD13 LEU 42 3HD1 LEU 42 -0.416 -14.429 -1.559 354 HD21 LEU 42 3HD2 LEU 42 0.063 -14.079 -5.187 355 HD22 LEU 42 1HD2 LEU 42 -1.474 -13.773 -4.374 356 HD23 LEU 42 2HD2 LEU 42 -0.483 -15.151 -3.898 357 H ILE 43 HN ILE 43 2.329 -9.660 -3.939 358 HA ILE 43 HA ILE 43 0.809 -7.403 -4.533 359 HB ILE 43 HB ILE 43 3.776 -7.641 -4.004 360 HG12 ILE 43 2HG1 ILE 43 2.376 -8.389 -2.152 361 HG13 ILE 43 1HG1 ILE 43 3.173 -6.878 -1.737 362 HG21 ILE 43 1HG2 ILE 43 2.087 -5.145 -4.040 363 HG22 ILE 43 2HG2 ILE 43 3.358 -5.562 -5.184 364 HG23 ILE 43 3HG2 ILE 43 3.760 -5.243 -3.497 365 HD11 ILE 43 3HD1 ILE 43 0.853 -6.942 -0.980 366 HD12 ILE 43 1HD1 ILE 43 0.312 -7.149 -2.643 367 HD13 ILE 43 2HD1 ILE 43 1.120 -5.659 -2.154 368 H ASN 44 HN ASN 44 3.733 -8.575 -6.220 369 HA ASN 44 HA ASN 44 3.814 -6.652 -8.232 370 HB2 ASN 44 2HB ASN 44 4.681 -9.536 -8.195 371 HB3 ASN 44 1HB ASN 44 4.901 -8.529 -9.619 372 HD21 ASN 44 1HD2 ASN 44 6.885 -9.797 -7.990 373 HD22 ASN 44 2HD2 ASN 44 7.902 -8.539 -7.377 374 H GLY 45 HN GLY 45 2.114 -9.738 -8.142 375 HA2 GLY 45 2HA GLY 45 1.072 -9.685 -10.728 376 HA3 GLY 45 1HA GLY 45 0.369 -10.547 -9.370 377 H TYR 46 HN TYR 46 -0.486 -8.661 -7.688 378 HA TYR 46 HA TYR 46 -2.879 -7.830 -8.859 379 HB2 TYR 46 2HB TYR 46 -1.549 -6.941 -6.304 380 HB3 TYR 46 1HB TYR 46 -3.149 -6.391 -6.791 381 HD1 TYR 46 1HD TYR 46 -4.501 -8.696 -7.783 382 HD2 TYR 46 2HD TYR 46 -1.730 -8.451 -4.565 383 HE1 TYR 46 1HE TYR 46 -5.504 -10.699 -6.776 384 HE2 TYR 46 2HE TYR 46 -2.726 -10.457 -3.551 385 HH TYR 46 HH TYR 46 -4.855 -12.495 -5.220 386 H ILE 47 HN ILE 47 0.040 -5.942 -8.150 387 HA ILE 47 HA ILE 47 -0.897 -3.437 -8.920 388 HB ILE 47 HB ILE 47 1.891 -4.590 -9.191 389 HG12 ILE 47 2HG1 ILE 47 0.650 -2.782 -7.105 390 HG13 ILE 47 1HG1 ILE 47 1.022 -4.492 -6.897 391 HG21 ILE 47 1HG2 ILE 47 1.072 -1.691 -9.331 392 HG22 ILE 47 2HG2 ILE 47 1.571 -2.668 -10.710 393 HG23 ILE 47 3HG2 ILE 47 2.717 -2.321 -9.414 394 HD11 ILE 47 3HD1 ILE 47 2.689 -3.092 -5.832 395 HD12 ILE 47 1HD1 ILE 47 3.015 -2.286 -7.366 396 HD13 ILE 47 2HD1 ILE 47 3.399 -3.996 -7.170 397 H GLN 48 HN GLN 48 0.463 -6.028 -10.907 398 HA GLN 48 HA GLN 48 0.361 -4.492 -13.319 399 HB2 GLN 48 2HB GLN 48 0.652 -7.475 -12.938 400 HB3 GLN 48 1HB GLN 48 0.891 -6.615 -14.451 401 HG2 GLN 48 2HG GLN 48 2.538 -6.351 -11.945 402 HG3 GLN 48 1HG GLN 48 3.022 -7.112 -13.457 403 HE21 GLN 48 1HE2 GLN 48 2.537 -4.125 -11.778 404 HE22 GLN 48 2HE2 GLN 48 3.252 -3.093 -12.964 405 H LYS 49 HN LYS 49 -1.750 -6.858 -11.772 406 HA LYS 49 HA LYS 49 -3.541 -7.172 -13.944 407 HB2 LYS 49 2HB LYS 49 -3.967 -7.594 -10.982 408 HB3 LYS 49 1HB LYS 49 -5.093 -8.102 -12.234 409 HG2 LYS 49 2HG LYS 49 -3.510 -9.643 -13.135 410 HG3 LYS 49 1HG LYS 49 -2.237 -9.026 -12.082 411 HD2 LYS 49 2HD LYS 49 -3.586 -9.789 -10.126 412 HD3 LYS 49 1HD LYS 49 -4.712 -10.541 -11.260 413 HE2 LYS 49 2HE LYS 49 -2.915 -11.934 -12.140 414 HE3 LYS 49 1HE LYS 49 -1.765 -11.155 -11.060 415 HZ1 LYS 49 3HZ LYS 49 -2.466 -13.273 -10.190 416 HZ2 LYS 49 1HZ LYS 49 -4.088 -12.805 -10.230 417 HZ3 LYS 49 2HZ LYS 49 -3.011 -12.036 -9.178 418 H ILE 50 HN ILE 50 -3.371 -4.871 -11.297 419 HA ILE 50 HA ILE 50 -5.905 -3.692 -11.650 420 HB ILE 50 HB ILE 50 -3.334 -2.484 -10.593 421 HG12 ILE 50 2HG1 ILE 50 -5.777 -3.512 -9.131 422 HG13 ILE 50 1HG1 ILE 50 -4.272 -4.404 -9.318 423 HG21 ILE 50 1HG2 ILE 50 -6.144 -1.390 -10.437 424 HG22 ILE 50 2HG2 ILE 50 -4.812 -0.710 -11.372 425 HG23 ILE 50 3HG2 ILE 50 -4.736 -0.723 -9.610 426 HD11 ILE 50 3HD1 ILE 50 -4.430 -3.378 -7.124 427 HD12 ILE 50 1HD1 ILE 50 -4.605 -1.788 -7.868 428 HD13 ILE 50 2HD1 ILE 50 -3.097 -2.685 -8.047 429 H LYS 51 HN LYS 51 -2.747 -2.983 -13.081 430 HA LYS 51 HA LYS 51 -3.745 -0.827 -14.687 431 HB2 LYS 51 2HB LYS 51 -1.137 -2.340 -14.696 432 HB3 LYS 51 1HB LYS 51 -1.494 -1.066 -15.853 433 HG2 LYS 51 2HG LYS 51 -1.779 0.522 -14.010 434 HG3 LYS 51 1HG LYS 51 -1.399 -0.759 -12.857 435 HD2 LYS 51 2HD LYS 51 0.826 -0.981 -13.775 436 HD3 LYS 51 1HD LYS 51 0.450 0.178 -15.051 437 HE2 LYS 51 2HE LYS 51 0.458 0.802 -12.096 438 HE3 LYS 51 1HE LYS 51 1.782 1.157 -13.203 439 HZ1 LYS 51 3HZ LYS 51 0.414 3.108 -12.867 440 HZ2 LYS 51 1HZ LYS 51 -0.970 2.266 -13.362 441 HZ3 LYS 51 2HZ LYS 51 0.271 2.580 -14.465 442 H SER 52 HN SER 52 -4.257 -4.045 -14.873 443 HA SER 52 HA SER 52 -4.358 -4.088 -17.799 444 HB2 SER 52 2HB SER 52 -3.203 -5.968 -16.602 445 HB3 SER 52 1HB SER 52 -4.751 -6.391 -15.874 446 HG SER 52 HG SER 52 -5.552 -6.628 -18.068 447 H GLY 53 HN GLY 53 -6.257 -3.265 -15.252 448 HA2 GLY 53 2HA GLY 53 -8.489 -2.644 -15.287 449 HA3 GLY 53 1HA GLY 53 -8.649 -3.409 -16.858 450 H GLU 54 HN GLU 54 -7.223 -5.610 -14.843 451 HA GLU 54 HA GLU 54 -9.526 -7.270 -14.782 452 HB2 GLU 54 2HB GLU 54 -6.881 -7.541 -13.347 453 HB3 GLU 54 1HB GLU 54 -8.111 -8.794 -13.423 454 HG2 GLU 54 2HG GLU 54 -7.874 -8.836 -15.871 455 HG3 GLU 54 1HG GLU 54 -6.590 -7.637 -15.748 456 H GLU 55 HN GLU 55 -7.592 -6.048 -12.069 457 HA GLU 55 HA GLU 55 -10.069 -5.876 -10.497 458 HB2 GLU 55 2HB GLU 55 -7.288 -6.676 -9.644 459 HB3 GLU 55 1HB GLU 55 -8.537 -6.210 -8.501 460 HG2 GLU 55 2HG GLU 55 -8.746 -8.502 -10.438 461 HG3 GLU 55 1HG GLU 55 -8.292 -8.645 -8.739 462 H ASP 56 HN ASP 56 -10.235 -4.131 -9.068 463 HA ASP 56 HA ASP 56 -8.535 -1.856 -9.757 464 HB2 ASP 56 2HB ASP 56 -10.958 -1.488 -9.900 465 HB3 ASP 56 1HB ASP 56 -11.141 -1.972 -8.217 466 H PHE 57 HN PHE 57 -7.616 -0.559 -8.089 467 HA PHE 57 HA PHE 57 -6.207 -1.950 -6.165 468 HB2 PHE 57 2HB PHE 57 -5.564 0.260 -7.008 469 HB3 PHE 57 1HB PHE 57 -6.931 0.979 -6.166 470 HD1 PHE 57 2HD PHE 57 -3.726 -0.783 -5.680 471 HD2 PHE 57 1HD PHE 57 -6.782 1.574 -3.892 472 HE1 PHE 57 2HE PHE 57 -2.324 -0.474 -3.689 473 HE2 PHE 57 1HE PHE 57 -5.380 1.885 -1.898 474 HZ PHE 57 HZ PHE 57 -3.148 0.859 -1.795 475 H GLU 58 HN GLU 58 -9.302 -0.243 -5.841 476 HA GLU 58 HA GLU 58 -9.422 -0.380 -3.017 477 HB2 GLU 58 2HB GLU 58 -11.678 -0.152 -5.011 478 HB3 GLU 58 1HB GLU 58 -11.817 0.135 -3.283 479 HG2 GLU 58 2HG GLU 58 -10.161 1.974 -3.518 480 HG3 GLU 58 1HG GLU 58 -10.205 1.726 -5.262 481 H SER 59 HN SER 59 -9.912 -2.768 -5.421 482 HA SER 59 HA SER 59 -11.726 -4.404 -3.924 483 HB2 SER 59 2HB SER 59 -11.648 -4.553 -6.369 484 HB3 SER 59 1HB SER 59 -9.964 -5.061 -6.305 485 HG SER 59 HG SER 59 -11.035 -6.927 -6.463 486 H LEU 60 HN LEU 60 -8.247 -4.222 -4.373 487 HA LEU 60 HA LEU 60 -7.836 -6.595 -2.761 488 HB2 LEU 60 2HB LEU 60 -5.841 -4.729 -4.048 489 HB3 LEU 60 1HB LEU 60 -5.418 -6.171 -3.151 490 HG LEU 60 HG LEU 60 -5.230 -6.821 -5.368 491 HD11 LEU 60 1HD1 LEU 60 -8.018 -7.627 -4.579 492 HD12 LEU 60 2HD1 LEU 60 -6.523 -8.426 -4.096 493 HD13 LEU 60 3HD1 LEU 60 -7.010 -8.419 -5.791 494 HD21 LEU 60 3HD2 LEU 60 -7.839 -5.437 -5.961 495 HD22 LEU 60 1HD2 LEU 60 -6.876 -6.355 -7.117 496 HD23 LEU 60 2HD2 LEU 60 -6.230 -4.875 -6.411 497 H ALA 61 HN ALA 61 -7.351 -3.113 -2.530 498 HA ALA 61 HA ALA 61 -5.868 -3.053 -0.165 499 HB1 ALA 61 1HB ALA 61 -6.548 -0.737 0.037 500 HB2 ALA 61 2HB ALA 61 -7.848 -0.997 -1.128 501 HB3 ALA 61 3HB ALA 61 -6.165 -1.121 -1.641 502 H SER 62 HN SER 62 -9.303 -3.442 -0.642 503 HA SER 62 HA SER 62 -9.936 -2.930 2.120 504 HB2 SER 62 2HB SER 62 -12.240 -3.649 1.393 505 HB3 SER 62 1HB SER 62 -11.574 -2.271 0.518 506 HG SER 62 HG SER 62 -11.450 -3.427 -1.257 507 H GLN 63 HN GLN 63 -8.809 -5.618 0.384 508 HA GLN 63 HA GLN 63 -9.835 -7.429 2.468 509 HB2 GLN 63 2HB GLN 63 -9.506 -7.958 -0.480 510 HB3 GLN 63 1HB GLN 63 -9.785 -9.226 0.707 511 HG2 GLN 63 2HG GLN 63 -11.914 -8.230 1.306 512 HG3 GLN 63 1HG GLN 63 -11.629 -6.905 0.182 513 HE21 GLN 63 1HE2 GLN 63 -10.474 -8.596 -1.863 514 HE22 GLN 63 2HE2 GLN 63 -11.781 -9.488 -2.556 515 H PHE 64 HN PHE 64 -7.196 -5.942 1.972 516 HA PHE 64 HA PHE 64 -5.522 -8.270 2.575 517 HB2 PHE 64 2HB PHE 64 -5.060 -6.318 0.364 518 HB3 PHE 64 1HB PHE 64 -3.670 -6.966 1.223 519 HD1 PHE 64 2HD PHE 64 -3.109 -9.317 1.086 520 HD2 PHE 64 1HD PHE 64 -6.397 -7.707 -1.081 521 HE1 PHE 64 2HE PHE 64 -3.171 -11.338 -0.311 522 HE2 PHE 64 1HE PHE 64 -6.465 -9.728 -2.482 523 HZ PHE 64 HZ PHE 64 -4.848 -11.543 -2.096 524 H SER 65 HN SER 65 -5.821 -4.765 2.582 525 HA SER 65 HA SER 65 -3.556 -4.236 4.140 526 HB2 SER 65 2HB SER 65 -6.073 -2.592 3.914 527 HB3 SER 65 1HB SER 65 -4.480 -2.022 4.418 528 HG SER 65 HG SER 65 -5.482 -2.377 1.936 529 H ASP 66 HN ASP 66 -3.170 -4.352 6.229 530 HA ASP 66 HA ASP 66 -5.263 -5.163 8.054 531 HB2 ASP 66 2HB ASP 66 -3.113 -6.189 8.393 532 HB3 ASP 66 1HB ASP 66 -2.314 -4.622 8.455 533 H SER 67 HN SER 67 -3.715 -2.314 7.023 534 HA SER 67 HA SER 67 -4.015 -0.606 9.199 535 HB2 SER 67 2HB SER 67 -4.031 1.184 7.403 536 HB3 SER 67 1HB SER 67 -2.672 0.061 7.342 537 HG SER 67 HG SER 67 -4.962 -0.594 5.893 538 H SER 68 HN SER 68 -5.615 0.985 9.655 539 HA SER 68 HA SER 68 -8.253 0.038 9.624 540 HB2 SER 68 2HB SER 68 -7.332 2.872 10.131 541 HB3 SER 68 1HB SER 68 -8.837 2.136 10.683 542 HG SER 68 HG SER 68 -7.015 0.521 11.549 543 H SER 69 HN SER 69 -6.546 1.679 7.183 544 HA SER 69 HA SER 69 -8.771 2.974 5.945 545 HB2 SER 69 2HB SER 69 -6.207 2.155 4.592 546 HB3 SER 69 1HB SER 69 -7.282 3.489 4.173 547 HG SER 69 HG SER 69 -6.715 4.384 6.274 548 H ALA 70 HN ALA 70 -7.999 -0.263 6.277 549 HA ALA 70 HA ALA 70 -8.355 -1.381 3.749 550 HB1 ALA 70 1HB ALA 70 -8.936 -3.443 4.891 551 HB2 ALA 70 2HB ALA 70 -9.225 -2.554 6.387 552 HB3 ALA 70 3HB ALA 70 -7.597 -2.642 5.715 553 H LYS 71 HN LYS 71 -10.814 -0.901 6.270 554 HA LYS 71 HA LYS 71 -12.965 -1.675 4.568 555 HB2 LYS 71 2HB LYS 71 -13.012 -0.157 7.179 556 HB3 LYS 71 1HB LYS 71 -14.404 -0.905 6.405 557 HG2 LYS 71 2HG LYS 71 -13.508 -3.089 6.730 558 HG3 LYS 71 1HG LYS 71 -11.965 -2.436 7.272 559 HD2 LYS 71 2HD LYS 71 -13.181 -1.387 9.190 560 HD3 LYS 71 1HD LYS 71 -14.623 -2.263 8.675 561 HE2 LYS 71 2HE LYS 71 -13.535 -4.377 9.018 562 HE3 LYS 71 1HE LYS 71 -11.998 -3.581 9.351 563 HZ1 LYS 71 3HZ LYS 71 -13.097 -4.297 11.377 564 HZ2 LYS 71 1HZ LYS 71 -14.451 -3.350 11.006 565 HZ3 LYS 71 2HZ LYS 71 -12.967 -2.611 11.330 566 H ALA 72 HN ALA 72 -11.116 1.076 4.677 567 HA ALA 72 HA ALA 72 -13.228 2.847 3.685 568 HB1 ALA 72 1HB ALA 72 -11.586 4.637 3.959 569 HB2 ALA 72 2HB ALA 72 -10.363 3.456 4.418 570 HB3 ALA 72 3HB ALA 72 -11.764 3.720 5.453 571 H ARG 73 HN ARG 73 -11.630 0.519 2.381 572 HA ARG 73 HA ARG 73 -11.085 -0.095 0.289 573 HB2 ARG 73 2HB ARG 73 -12.103 2.652 -0.423 574 HB3 ARG 73 1HB ARG 73 -11.575 1.476 -1.620 575 HG2 ARG 73 2HG ARG 73 -13.286 -0.093 -0.806 576 HG3 ARG 73 1HG ARG 73 -13.831 1.126 0.345 577 HD2 ARG 73 2HD ARG 73 -13.787 1.494 -2.646 578 HD3 ARG 73 1HD ARG 73 -15.202 0.995 -1.725 579 HE ARG 73 HE ARG 73 -14.483 3.290 -0.507 580 HH11 ARG 73 1HH1 ARG 73 -15.013 2.456 -3.866 581 HH12 ARG 73 2HH1 ARG 73 -15.579 4.024 -4.313 582 HH21 ARG 73 1HH2 ARG 73 -15.237 5.396 -1.099 583 HH22 ARG 73 2HH2 ARG 73 -15.704 5.704 -2.736 584 H GLY 74 HN GLY 74 -9.262 1.592 2.102 585 HA2 GLY 74 2HA GLY 74 -6.899 1.508 1.864 586 HA3 GLY 74 1HA GLY 74 -7.092 1.670 0.126 587 H ASP 75 HN ASP 75 -9.103 3.862 0.730 588 HA ASP 75 HA ASP 75 -7.366 6.020 0.267 589 HB2 ASP 75 2HB ASP 75 -9.511 6.256 -0.603 590 HB3 ASP 75 1HB ASP 75 -10.282 5.815 0.914 591 H LEU 76 HN LEU 76 -6.344 7.413 1.514 592 HA LEU 76 HA LEU 76 -6.659 7.230 4.426 593 HB2 LEU 76 2HB LEU 76 -4.477 8.207 2.622 594 HB3 LEU 76 1HB LEU 76 -4.534 8.721 4.293 595 HG LEU 76 HG LEU 76 -4.395 5.835 3.436 596 HD11 LEU 76 1HD1 LEU 76 -2.192 7.689 4.342 597 HD12 LEU 76 2HD1 LEU 76 -2.391 7.034 2.717 598 HD13 LEU 76 3HD1 LEU 76 -2.032 5.955 4.065 599 HD21 LEU 76 3HD2 LEU 76 -3.729 5.493 5.777 600 HD22 LEU 76 1HD2 LEU 76 -5.348 6.179 5.648 601 HD23 LEU 76 2HD2 LEU 76 -3.988 7.209 6.090 602 H GLY 77 HN GLY 77 -7.410 9.241 1.782 603 HA2 GLY 77 2HA GLY 77 -8.647 11.223 1.874 604 HA3 GLY 77 1HA GLY 77 -8.249 11.369 3.585 605 H ALA 78 HN ALA 78 -7.940 13.652 2.578 606 HA ALA 78 HA ALA 78 -5.497 14.070 1.143 607 HB1 ALA 78 1HB ALA 78 -5.960 16.447 1.441 608 HB2 ALA 78 2HB ALA 78 -7.245 16.063 2.584 609 HB3 ALA 78 3HB ALA 78 -7.402 15.591 0.893 610 H PHE 79 HN PHE 79 -3.525 14.120 1.963 611 HA PHE 79 HA PHE 79 -3.171 15.028 4.722 612 HB2 PHE 79 2HB PHE 79 -1.472 13.266 5.112 613 HB3 PHE 79 1HB PHE 79 -3.075 12.599 4.838 614 HD1 PHE 79 1HD PHE 79 0.304 12.988 3.458 615 HD2 PHE 79 2HD PHE 79 -3.548 11.264 2.890 616 HE1 PHE 79 1HE PHE 79 1.220 11.525 1.706 617 HE2 PHE 79 2HE PHE 79 -2.638 9.801 1.138 618 HZ PHE 79 HZ PHE 79 -0.250 9.929 0.544 619 H SER 80 HN SER 80 -0.586 15.146 5.058 620 HA SER 80 HA SER 80 0.530 16.423 2.680 621 HB2 SER 80 2HB SER 80 -0.496 18.112 4.286 622 HB3 SER 80 1HB SER 80 0.754 17.646 5.438 623 HG SER 80 HG SER 80 1.264 18.581 2.804 624 H ARG 81 HN ARG 81 2.922 17.040 3.267 625 HA ARG 81 HA ARG 81 4.209 14.544 3.861 626 HB2 ARG 81 2HB ARG 81 6.300 15.779 3.251 627 HB3 ARG 81 1HB ARG 81 5.064 15.798 2.004 628 HG2 ARG 81 2HG ARG 81 5.815 17.981 1.972 629 HG3 ARG 81 1HG ARG 81 4.418 18.100 3.037 630 HD2 ARG 81 2HD ARG 81 5.992 17.839 4.976 631 HD3 ARG 81 1HD ARG 81 7.324 17.966 3.828 632 HE ARG 81 HE ARG 81 5.509 20.150 3.587 633 HH11 ARG 81 1HH1 ARG 81 8.180 18.928 5.500 634 HH12 ARG 81 2HH1 ARG 81 8.653 20.489 6.067 635 HH21 ARG 81 1HH2 ARG 81 6.122 22.212 4.351 636 HH22 ARG 81 2HH2 ARG 81 7.474 22.365 5.418 637 H GLY 82 HN GLY 82 5.937 14.280 5.368 638 HA2 GLY 82 2HA GLY 82 7.130 14.747 7.320 639 HA3 GLY 82 1HA GLY 82 6.210 16.232 7.504 640 H GLN 83 HN GLN 83 4.672 13.152 6.934 641 HA GLN 83 HA GLN 83 3.788 13.151 9.742 642 HB2 GLN 83 2HB GLN 83 2.062 12.703 7.310 643 HB3 GLN 83 1HB GLN 83 1.540 12.463 8.970 644 HG2 GLN 83 2HG GLN 83 1.907 14.832 9.431 645 HG3 GLN 83 1HG GLN 83 2.441 15.071 7.769 646 HE21 GLN 83 1HE2 GLN 83 0.809 16.558 7.389 647 HE22 GLN 83 2HE2 GLN 83 -0.844 16.081 7.196 648 H MET 84 HN MET 84 3.903 11.200 6.765 649 HA MET 84 HA MET 84 3.784 8.768 8.384 650 HB2 MET 84 2HB MET 84 3.740 9.161 5.385 651 HB3 MET 84 1HB MET 84 3.668 7.597 6.176 652 HG2 MET 84 2HG MET 84 1.461 8.146 5.574 653 HG3 MET 84 1HG MET 84 1.570 8.398 7.314 654 HE1 MET 84 3HE MET 84 -0.973 11.155 6.158 655 HE2 MET 84 1HE MET 84 -0.698 9.794 7.246 656 HE3 MET 84 2HE MET 84 -0.799 9.525 5.505 657 H GLN 85 HN GLN 85 5.253 6.932 7.458 658 HA GLN 85 HA GLN 85 7.928 7.688 7.945 659 HB2 GLN 85 2HB GLN 85 8.508 5.380 7.298 660 HB3 GLN 85 1HB GLN 85 7.185 5.432 8.449 661 HG2 GLN 85 2HG GLN 85 5.613 5.129 6.548 662 HG3 GLN 85 1HG GLN 85 7.008 4.926 5.492 663 HE21 GLN 85 1HE2 GLN 85 8.534 3.523 7.581 664 HE22 GLN 85 2HE2 GLN 85 7.858 1.936 7.659 665 H LYS 86 HN LYS 86 9.629 8.017 6.600 666 HA LYS 86 HA LYS 86 9.143 9.419 4.291 667 HB2 LYS 86 2HB LYS 86 11.229 9.494 5.670 668 HB3 LYS 86 1HB LYS 86 11.742 8.016 4.870 669 HG2 LYS 86 2HG LYS 86 12.782 9.953 3.846 670 HG3 LYS 86 1HG LYS 86 11.686 9.164 2.710 671 HD2 LYS 86 2HD LYS 86 9.990 10.832 3.111 672 HD3 LYS 86 1HD LYS 86 10.962 11.568 4.385 673 HE2 LYS 86 2HE LYS 86 11.749 11.396 1.480 674 HE3 LYS 86 1HE LYS 86 11.048 12.815 2.253 675 HZ1 LYS 86 3HZ LYS 86 13.648 11.553 2.937 676 HZ2 LYS 86 1HZ LYS 86 12.959 12.860 3.756 677 HZ3 LYS 86 2HZ LYS 86 13.426 13.026 2.144 678 HA PRO 87 HA PRO 87 10.568 5.507 1.589 679 HB2 PRO 87 2HB PRO 87 9.541 3.171 2.739 680 HB3 PRO 87 1HB PRO 87 11.241 3.647 2.719 681 HG2 PRO 87 2HG PRO 87 9.202 3.990 4.878 682 HG3 PRO 87 1HG PRO 87 10.920 3.565 5.013 683 HD2 PRO 87 2HD PRO 87 10.087 6.026 5.582 684 HD3 PRO 87 1HD PRO 87 11.611 5.770 4.704 685 H PHE 88 HN PHE 88 7.656 5.767 3.502 686 HA PHE 88 HA PHE 88 5.988 4.734 1.339 687 HB2 PHE 88 2HB PHE 88 5.428 3.956 3.559 688 HB3 PHE 88 1HB PHE 88 5.368 5.602 4.170 689 HD1 PHE 88 1HD PHE 88 3.649 3.114 2.075 690 HD2 PHE 88 2HD PHE 88 3.415 6.938 3.926 691 HE1 PHE 88 1HE PHE 88 1.232 3.182 1.630 692 HE2 PHE 88 2HE PHE 88 1.000 7.013 3.482 693 HZ PHE 88 HZ PHE 88 -0.095 5.135 2.334 694 H GLU 89 HN GLU 89 6.323 7.651 3.316 695 HA GLU 89 HA GLU 89 4.368 9.195 2.034 696 HB2 GLU 89 2HB GLU 89 5.405 9.617 4.262 697 HB3 GLU 89 1HB GLU 89 6.850 10.167 3.433 698 HG2 GLU 89 2HG GLU 89 5.539 11.941 2.367 699 HG3 GLU 89 1HG GLU 89 4.119 11.403 3.267 700 H ASP 90 HN ASP 90 7.878 9.014 1.536 701 HA ASP 90 HA ASP 90 8.087 11.004 -0.431 702 HB2 ASP 90 2HB ASP 90 10.069 10.193 0.659 703 HB3 ASP 90 1HB ASP 90 9.764 8.551 0.112 704 H ALA 91 HN ALA 91 7.422 7.561 -0.649 705 HA ALA 91 HA ALA 91 7.464 7.416 -3.473 706 HB1 ALA 91 1HB ALA 91 6.384 5.246 -3.184 707 HB2 ALA 91 2HB ALA 91 6.057 5.625 -1.493 708 HB3 ALA 91 3HB ALA 91 7.719 5.441 -2.050 709 H SER 92 HN SER 92 5.023 8.250 -1.127 710 HA SER 92 HA SER 92 2.772 8.064 -2.843 711 HB2 SER 92 2HB SER 92 3.126 9.765 -0.362 712 HB3 SER 92 1HB SER 92 1.593 9.324 -1.112 713 HG SER 92 HG SER 92 3.480 7.483 -0.030 714 H PHE 93 HN PHE 93 4.852 10.777 -1.867 715 HA PHE 93 HA PHE 93 3.424 12.649 -3.509 716 HB2 PHE 93 2HB PHE 93 5.958 12.835 -1.903 717 HB3 PHE 93 1HB PHE 93 5.424 14.151 -2.942 718 HD1 PHE 93 2HD PHE 93 4.702 12.235 0.096 719 HD2 PHE 93 1HD PHE 93 3.510 15.483 -2.377 720 HE1 PHE 93 2HE PHE 93 3.237 13.061 1.890 721 HE2 PHE 93 1HE PHE 93 2.044 16.314 -0.588 722 HZ PHE 93 HZ PHE 93 1.905 15.102 1.547 723 H ALA 94 HN ALA 94 5.710 10.303 -4.163 724 HA ALA 94 HA ALA 94 6.882 11.692 -6.433 725 HB1 ALA 94 1HB ALA 94 8.199 9.656 -6.746 726 HB2 ALA 94 2HB ALA 94 7.271 8.858 -5.476 727 HB3 ALA 94 3HB ALA 94 8.305 10.230 -5.081 728 H LEU 95 HN LEU 95 3.982 10.526 -5.957 729 HA LEU 95 HA LEU 95 3.752 9.082 -8.489 730 HB2 LEU 95 2HB LEU 95 1.833 9.407 -6.195 731 HB3 LEU 95 1HB LEU 95 1.422 8.617 -7.704 732 HG LEU 95 HG LEU 95 3.511 7.701 -5.733 733 HD11 LEU 95 1HD1 LEU 95 0.816 6.574 -6.471 734 HD12 LEU 95 2HD1 LEU 95 1.235 7.364 -4.951 735 HD13 LEU 95 3HD1 LEU 95 1.980 5.825 -5.380 736 HD21 LEU 95 3HD2 LEU 95 3.650 5.707 -7.177 737 HD22 LEU 95 1HD2 LEU 95 4.188 7.169 -8.001 738 HD23 LEU 95 2HD2 LEU 95 2.594 6.499 -8.344 739 H ARG 96 HN ARG 96 2.831 9.976 -10.202 740 HA ARG 96 HA ARG 96 2.052 12.732 -10.104 741 HB2 ARG 96 2HB ARG 96 1.945 10.719 -12.359 742 HB3 ARG 96 1HB ARG 96 1.610 12.436 -12.535 743 HG2 ARG 96 2HG ARG 96 3.885 12.973 -11.874 744 HG3 ARG 96 1HG ARG 96 4.231 11.263 -11.625 745 HD2 ARG 96 2HD ARG 96 3.474 12.558 -14.242 746 HD3 ARG 96 1HD ARG 96 5.095 12.057 -13.770 747 HE ARG 96 HE ARG 96 2.960 10.049 -13.889 748 HH11 ARG 96 1HH1 ARG 96 5.960 11.338 -15.183 749 HH12 ARG 96 2HH1 ARG 96 6.287 9.950 -16.156 750 HH21 ARG 96 1HH2 ARG 96 3.392 8.207 -15.188 751 HH22 ARG 96 2HH2 ARG 96 4.822 8.156 -16.158 752 H THR 97 HN THR 97 -0.055 13.323 -11.346 753 HA THR 97 HA THR 97 -2.209 12.648 -9.755 754 HB THR 97 HB THR 97 -2.303 13.709 -12.589 755 HG1 THR 97 1HG THR 97 -2.472 15.264 -10.232 756 HG21 THR 97 3HG2 THR 97 -4.446 14.699 -11.902 757 HG22 THR 97 1HG2 THR 97 -4.300 13.927 -10.325 758 HG23 THR 97 2HG2 THR 97 -4.495 12.941 -11.775 759 H GLY 98 HN GLY 98 -3.140 10.738 -9.528 760 HA2 GLY 98 2HA GLY 98 -4.349 8.856 -10.058 761 HA3 GLY 98 1HA GLY 98 -4.343 9.377 -11.735 762 H GLU 99 HN GLU 99 -1.715 8.483 -9.486 763 HA GLU 99 HA GLU 99 -1.022 6.334 -11.358 764 HB2 GLU 99 2HB GLU 99 0.471 8.314 -11.664 765 HB3 GLU 99 1HB GLU 99 0.993 8.132 -9.997 766 HG2 GLU 99 2HG GLU 99 2.582 7.186 -11.633 767 HG3 GLU 99 1HG GLU 99 1.983 5.996 -10.477 768 H MET 100 HN MET 100 0.216 4.595 -10.448 769 HA MET 100 HA MET 100 -0.226 4.276 -7.551 770 HB2 MET 100 2HB MET 100 -1.738 2.862 -8.839 771 HB3 MET 100 1HB MET 100 -0.385 2.200 -9.741 772 HG2 MET 100 2HG MET 100 0.455 1.097 -7.787 773 HG3 MET 100 1HG MET 100 -0.753 1.884 -6.772 774 HE1 MET 100 3HE MET 100 -1.844 -1.182 -10.046 775 HE2 MET 100 1HE MET 100 -0.261 -0.426 -9.876 776 HE3 MET 100 2HE MET 100 -1.645 0.535 -10.391 777 H SER 101 HN SER 101 1.417 3.565 -6.339 778 HA SER 101 HA SER 101 4.070 3.577 -7.495 779 HB2 SER 101 2HB SER 101 3.701 4.772 -5.395 780 HB3 SER 101 1HB SER 101 3.112 3.299 -4.632 781 HG SER 101 HG SER 101 5.112 2.520 -4.523 782 H GLY 102 HN GLY 102 5.639 1.910 -7.018 783 HA2 GLY 102 2HA GLY 102 4.557 -0.735 -7.376 784 HA3 GLY 102 1HA GLY 102 6.260 -0.293 -7.339 785 HA PRO 103 HA PRO 103 5.072 -2.537 -3.396 786 HB2 PRO 103 2HB PRO 103 7.592 -3.975 -3.920 787 HB3 PRO 103 1HB PRO 103 5.984 -4.621 -3.578 788 HG2 PRO 103 2HG PRO 103 7.079 -4.788 -6.025 789 HG3 PRO 103 1HG PRO 103 5.337 -4.548 -5.793 790 HD2 PRO 103 2HD PRO 103 7.448 -2.550 -6.510 791 HD3 PRO 103 1HD PRO 103 5.801 -2.727 -7.150 792 H VAL 104 HN VAL 104 5.517 -0.948 -1.947 793 HA VAL 104 HA VAL 104 8.258 -0.062 -1.532 794 HB VAL 104 HB VAL 104 5.704 0.712 -0.096 795 HG11 VAL 104 1HG1 VAL 104 8.459 1.932 0.063 796 HG12 VAL 104 2HG1 VAL 104 7.651 1.015 1.334 797 HG13 VAL 104 3HG1 VAL 104 7.006 2.575 0.825 798 HG21 VAL 104 3HG2 VAL 104 5.711 1.420 -2.428 799 HG22 VAL 104 1HG2 VAL 104 7.288 2.178 -2.205 800 HG23 VAL 104 2HG2 VAL 104 5.878 2.811 -1.356 801 H PHE 105 HN PHE 105 9.574 -1.062 -0.151 802 HA PHE 105 HA PHE 105 8.432 -3.052 1.656 803 HB2 PHE 105 2HB PHE 105 11.305 -2.613 0.827 804 HB3 PHE 105 1HB PHE 105 10.713 -3.933 1.827 805 HD1 PHE 105 2HD PHE 105 9.307 -5.695 0.851 806 HD2 PHE 105 1HD PHE 105 11.048 -2.636 -1.538 807 HE1 PHE 105 2HE PHE 105 8.890 -7.037 -1.169 808 HE2 PHE 105 1HE PHE 105 10.632 -3.973 -3.559 809 HZ PHE 105 HZ PHE 105 9.556 -6.171 -3.378 810 H THR 106 HN THR 106 8.517 -2.920 3.802 811 HA THR 106 HA THR 106 10.203 -0.907 5.098 812 HB THR 106 HB THR 106 8.241 -0.232 6.536 813 HG1 THR 106 1HG THR 106 6.941 -1.834 4.603 814 HG21 THR 106 3HG2 THR 106 7.264 1.316 4.893 815 HG22 THR 106 1HG2 THR 106 7.982 0.377 3.582 816 HG23 THR 106 2HG2 THR 106 9.018 1.234 4.723 817 H ASP 107 HN ASP 107 9.496 -1.148 7.648 818 HA ASP 107 HA ASP 107 10.279 -3.805 8.357 819 HB2 ASP 107 2HB ASP 107 9.988 -2.953 10.728 820 HB3 ASP 107 1HB ASP 107 11.134 -2.060 9.738 821 H SER 108 HN SER 108 7.269 -2.183 8.001 822 HA SER 108 HA SER 108 5.808 -4.086 9.602 823 HB2 SER 108 2HB SER 108 3.807 -2.835 8.616 824 HB3 SER 108 1HB SER 108 4.901 -1.899 9.635 825 HG SER 108 HG SER 108 5.530 -0.767 7.964 826 H GLY 109 HN GLY 109 6.297 -3.384 6.175 827 HA2 GLY 109 2HA GLY 109 6.251 -5.920 5.212 828 HA3 GLY 109 1HA GLY 109 4.547 -5.502 5.325 829 H ILE 110 HN ILE 110 4.246 -5.571 3.114 830 HA ILE 110 HA ILE 110 5.768 -3.659 1.506 831 HB ILE 110 HB ILE 110 3.801 -5.775 0.590 832 HG12 ILE 110 2HG1 ILE 110 6.829 -5.791 0.524 833 HG13 ILE 110 1HG1 ILE 110 5.834 -6.734 1.628 834 HG21 ILE 110 1HG2 ILE 110 5.725 -4.040 -0.961 835 HG22 ILE 110 2HG2 ILE 110 3.965 -3.929 -0.980 836 HG23 ILE 110 3HG2 ILE 110 4.765 -5.355 -1.641 837 HD11 ILE 110 3HD1 ILE 110 6.655 -8.090 -0.214 838 HD12 ILE 110 1HD1 ILE 110 5.884 -7.003 -1.370 839 HD13 ILE 110 2HD1 ILE 110 4.898 -7.957 -0.264 840 H HIS 111 HN HIS 111 4.869 -1.855 0.712 841 HA HIS 111 HA HIS 111 2.014 -1.398 1.311 842 HB2 HIS 111 2HB HIS 111 4.257 0.641 1.234 843 HB3 HIS 111 1HB HIS 111 2.565 1.004 1.519 844 HD1 HIS 111 1HD HIS 111 2.444 1.710 3.906 845 HD2 HIS 111 2HD HIS 111 4.858 -1.633 3.401 846 HE1 HIS 111 1HE HIS 111 3.193 1.063 6.205 847 HE2 HIS 111 2HE HIS 111 4.740 -0.883 5.873 848 H ILE 112 HN ILE 112 0.753 -0.987 -0.383 849 HA ILE 112 HA ILE 112 2.014 -0.093 -2.893 850 HB ILE 112 HB ILE 112 -0.797 -1.186 -2.580 851 HG12 ILE 112 2HG1 ILE 112 1.692 -2.659 -3.473 852 HG13 ILE 112 1HG1 ILE 112 0.817 -2.938 -1.972 853 HG21 ILE 112 1HG2 ILE 112 0.945 -0.783 -5.013 854 HG22 ILE 112 2HG2 ILE 112 -0.427 0.220 -4.545 855 HG23 ILE 112 3HG2 ILE 112 -0.683 -1.462 -5.015 856 HD11 ILE 112 3HD1 ILE 112 0.245 -4.641 -3.581 857 HD12 ILE 112 1HD1 ILE 112 -0.210 -3.413 -4.761 858 HD13 ILE 112 2HD1 ILE 112 -1.153 -3.613 -3.288 859 H ILE 113 HN ILE 113 1.347 1.849 -3.786 860 HA ILE 113 HA ILE 113 -0.572 3.390 -2.163 861 HB ILE 113 HB ILE 113 1.872 4.572 -3.492 862 HG12 ILE 113 2HG1 ILE 113 1.533 3.937 -0.554 863 HG13 ILE 113 1HG1 ILE 113 2.445 2.927 -1.670 864 HG21 ILE 113 1HG2 ILE 113 -0.039 5.652 -1.420 865 HG22 ILE 113 2HG2 ILE 113 0.043 6.132 -3.115 866 HG23 ILE 113 3HG2 ILE 113 1.389 6.486 -2.031 867 HD11 ILE 113 3HD1 ILE 113 3.047 5.792 -0.986 868 HD12 ILE 113 1HD1 ILE 113 3.968 4.778 -2.095 869 HD13 ILE 113 2HD1 ILE 113 3.900 4.375 -0.378 870 H LEU 114 HN LEU 114 -2.167 4.299 -3.266 871 HA LEU 114 HA LEU 114 -1.834 4.713 -6.168 872 HB2 LEU 114 2HB LEU 114 -3.400 2.885 -5.765 873 HB3 LEU 114 1HB LEU 114 -4.318 3.886 -4.659 874 HG LEU 114 HG LEU 114 -4.784 5.425 -6.617 875 HD11 LEU 114 1HD1 LEU 114 -3.018 4.688 -8.094 876 HD12 LEU 114 2HD1 LEU 114 -4.593 4.450 -8.850 877 HD13 LEU 114 3HD1 LEU 114 -3.727 3.075 -8.168 878 HD21 LEU 114 3HD2 LEU 114 -6.585 4.027 -7.480 879 HD22 LEU 114 1HD2 LEU 114 -6.451 3.885 -5.727 880 HD23 LEU 114 2HD2 LEU 114 -5.827 2.603 -6.765 881 H ARG 115 HN ARG 115 -1.803 6.833 -6.590 882 HA ARG 115 HA ARG 115 -2.763 8.680 -4.610 883 HB2 ARG 115 2HB ARG 115 -0.728 9.185 -5.884 884 HB3 ARG 115 1HB ARG 115 -1.667 9.225 -7.373 885 HG2 ARG 115 2HG ARG 115 -2.958 11.109 -6.506 886 HG3 ARG 115 1HG ARG 115 -2.006 11.074 -5.024 887 HD2 ARG 115 2HD ARG 115 -0.013 11.647 -6.218 888 HD3 ARG 115 1HD ARG 115 -0.840 11.480 -7.769 889 HE ARG 115 HE ARG 115 -2.292 13.360 -6.421 890 HH11 ARG 115 1HH1 ARG 115 1.090 13.070 -7.328 891 HH12 ARG 115 2HH1 ARG 115 1.314 14.774 -7.488 892 HH21 ARG 115 1HH2 ARG 115 -2.003 15.577 -6.633 893 HH22 ARG 115 2HH2 ARG 115 -0.470 16.221 -7.111 894 H THR 116 HN THR 116 -4.742 9.375 -4.435 895 HA THR 116 HA THR 116 -6.675 8.924 -6.534 896 HB THR 116 HB THR 116 -7.096 10.260 -3.849 897 HG1 THR 116 1HG THR 116 -7.883 7.648 -4.022 898 HG21 THR 116 3HG2 THR 116 -9.405 9.479 -4.134 899 HG22 THR 116 1HG2 THR 116 -8.979 8.787 -5.701 900 HG23 THR 116 2HG2 THR 116 -8.920 10.533 -5.462 901 H GLU 117 HN GLU 117 -5.730 11.721 -4.522 902 HA GLU 117 HA GLU 117 -6.217 13.467 -6.840 903 HB2 GLU 117 2HB GLU 117 -6.969 13.951 -3.955 904 HB3 GLU 117 1HB GLU 117 -6.879 15.236 -5.145 905 HG2 GLU 117 2HG GLU 117 -8.678 12.831 -5.333 906 HG3 GLU 117 1HG GLU 117 -9.163 14.431 -4.773 Start of MODEL 5 1 H1 GLY 1 1HT GLY 1 3.366 27.597 1.541 2 H2 GLY 1 2HT GLY 1 2.750 26.328 2.467 3 H3 GLY 1 3HT GLY 1 1.700 27.326 1.599 4 HA2 GLY 1 1HA GLY 1 1.972 25.214 0.485 5 HA3 GLY 1 2HA GLY 1 2.615 26.540 -0.477 6 H SER 2 HN SER 2 3.841 24.791 -1.528 7 HA SER 2 HA SER 2 6.397 24.472 -0.176 8 HB2 SER 2 2HB SER 2 6.473 22.060 -0.800 9 HB3 SER 2 1HB SER 2 5.237 22.423 0.404 10 HG SER 2 HG SER 2 4.925 21.205 -1.885 11 H HIS 3 HN HIS 3 8.133 24.258 -1.588 12 HA HIS 3 HA HIS 3 7.450 24.674 -4.421 13 HB2 HIS 3 2HB HIS 3 9.568 25.865 -4.705 14 HB3 HIS 3 1HB HIS 3 8.610 26.607 -3.438 15 HD1 HIS 3 1HD HIS 3 11.950 25.499 -4.156 16 HD2 HIS 3 2HD HIS 3 9.593 25.755 -0.742 17 HE1 HIS 3 1HE HIS 3 13.551 25.453 -2.222 18 HE2 HIS 3 2HE HIS 3 12.110 25.928 -0.217 19 H MET 4 HN MET 4 8.846 22.573 -2.229 20 HA MET 4 HA MET 4 10.101 21.022 -4.394 21 HB2 MET 4 2HB MET 4 10.726 21.047 -1.426 22 HB3 MET 4 1HB MET 4 11.446 19.947 -2.590 23 HG2 MET 4 2HG MET 4 12.615 21.681 -3.666 24 HG3 MET 4 1HG MET 4 11.668 22.926 -2.853 25 HE1 MET 4 3HE MET 4 13.235 19.684 -1.179 26 HE2 MET 4 1HE MET 4 14.830 20.295 -0.747 27 HE3 MET 4 2HE MET 4 14.377 20.133 -2.445 28 H GLU 5 HN GLU 5 8.477 19.709 -5.019 29 HA GLU 5 HA GLU 5 6.941 18.044 -4.991 30 HB2 GLU 5 2HB GLU 5 8.211 17.619 -2.317 31 HB3 GLU 5 1HB GLU 5 6.690 16.806 -2.646 32 HG2 GLU 5 2HG GLU 5 8.646 15.403 -3.115 33 HG3 GLU 5 1HG GLU 5 7.650 15.676 -4.541 34 HA PRO 6 HA PRO 6 3.232 19.949 -3.602 35 HB2 PRO 6 2HB PRO 6 1.583 17.794 -3.205 36 HB3 PRO 6 1HB PRO 6 1.976 18.444 -4.800 37 HG2 PRO 6 2HG PRO 6 3.150 16.094 -3.370 38 HG3 PRO 6 1HG PRO 6 2.708 16.260 -5.080 39 HD2 PRO 6 2HD PRO 6 5.256 16.452 -4.237 40 HD3 PRO 6 1HD PRO 6 4.642 17.413 -5.597 41 H ALA 7 HN ALA 7 1.699 20.053 -1.764 42 HA ALA 7 HA ALA 7 2.992 19.091 0.694 43 HB1 ALA 7 1HB ALA 7 2.011 21.010 1.830 44 HB2 ALA 7 2HB ALA 7 1.231 21.512 0.330 45 HB3 ALA 7 3HB ALA 7 2.990 21.530 0.457 46 H ARG 8 HN ARG 8 -0.202 19.923 -0.626 47 HA ARG 8 HA ARG 8 -1.436 18.097 1.306 48 HB2 ARG 8 2HB ARG 8 -2.767 20.028 -0.589 49 HB3 ARG 8 1HB ARG 8 -3.529 19.154 0.730 50 HG2 ARG 8 2HG ARG 8 -2.261 20.421 2.349 51 HG3 ARG 8 1HG ARG 8 -1.396 21.251 1.052 52 HD2 ARG 8 2HD ARG 8 -4.338 21.390 1.666 53 HD3 ARG 8 1HD ARG 8 -3.151 22.684 1.847 54 HE ARG 8 HE ARG 8 -2.892 22.481 -0.659 55 HH11 ARG 8 1HH1 ARG 8 -5.908 21.750 0.990 56 HH12 ARG 8 2HH1 ARG 8 -6.891 22.065 -0.392 57 HH21 ARG 8 1HH2 ARG 8 -4.202 22.890 -2.494 58 HH22 ARG 8 2HH2 ARG 8 -5.920 22.724 -2.382 59 H VAL 9 HN VAL 9 -1.486 16.054 0.555 60 HA VAL 9 HA VAL 9 -2.567 15.658 -2.138 61 HB VAL 9 HB VAL 9 -1.012 13.766 -2.513 62 HG11 VAL 9 1HG1 VAL 9 0.330 16.417 -2.039 63 HG12 VAL 9 2HG1 VAL 9 -0.521 15.922 -3.502 64 HG13 VAL 9 3HG1 VAL 9 0.971 15.106 -3.030 65 HG21 VAL 9 3HG2 VAL 9 1.009 13.567 -1.133 66 HG22 VAL 9 1HG2 VAL 9 -0.455 13.255 -0.199 67 HG23 VAL 9 2HG2 VAL 9 0.379 14.801 -0.042 68 H ARG 10 HN ARG 10 -3.637 13.697 -2.473 69 HA ARG 10 HA ARG 10 -4.272 12.181 -0.034 70 HB2 ARG 10 2HB ARG 10 -6.258 13.355 -0.896 71 HB3 ARG 10 1HB ARG 10 -6.014 12.618 -2.476 72 HG2 ARG 10 2HG ARG 10 -6.185 10.378 -1.238 73 HG3 ARG 10 1HG ARG 10 -6.867 11.320 0.084 74 HD2 ARG 10 2HD ARG 10 -8.674 12.060 -1.308 75 HD3 ARG 10 1HD ARG 10 -7.937 11.320 -2.731 76 HE ARG 10 HE ARG 10 -8.826 9.719 -0.416 77 HH11 ARG 10 1HH1 ARG 10 -8.795 10.312 -3.893 78 HH12 ARG 10 2HH1 ARG 10 -9.626 8.838 -4.259 79 HH21 ARG 10 1HH2 ARG 10 -9.897 7.793 -0.917 80 HH22 ARG 10 2HH2 ARG 10 -10.248 7.385 -2.560 81 H CYS 11 HN CYS 11 -4.021 9.998 -0.130 82 HA CYS 11 HA CYS 11 -3.570 8.739 -2.708 83 HB2 CYS 11 2HB CYS 11 -1.525 8.650 -0.479 84 HB3 CYS 11 1HB CYS 11 -1.476 7.664 -1.936 85 HG CYS 11 HG CYS 11 -1.763 10.745 -2.894 86 H SER 12 HN SER 12 -3.922 6.544 -2.719 87 HA SER 12 HA SER 12 -5.204 5.465 -0.316 88 HB2 SER 12 2HB SER 12 -5.275 4.413 -3.161 89 HB3 SER 12 1HB SER 12 -6.271 3.871 -1.809 90 HG SER 12 HG SER 12 -6.346 6.580 -2.428 91 H HIS 13 HN HIS 13 -4.551 3.361 0.430 92 HA HIS 13 HA HIS 13 -1.984 2.441 -0.642 93 HB2 HIS 13 2HB HIS 13 -1.077 2.216 1.670 94 HB3 HIS 13 1HB HIS 13 -1.323 3.879 1.148 95 HD1 HIS 13 1HD HIS 13 -2.692 1.304 3.537 96 HD2 HIS 13 2HD HIS 13 -3.155 5.327 2.639 97 HE1 HIS 13 1HE HIS 13 -4.074 2.250 5.394 98 HE2 HIS 13 2HE HIS 13 -4.294 4.693 4.873 99 H LEU 14 HN LEU 14 -1.775 0.365 -0.797 100 HA LEU 14 HA LEU 14 -3.685 -1.396 0.589 101 HB2 LEU 14 2HB LEU 14 -3.500 -1.326 -1.986 102 HB3 LEU 14 1HB LEU 14 -1.941 -2.088 -1.780 103 HG LEU 14 HG LEU 14 -4.491 -3.339 -0.771 104 HD11 LEU 14 1HD1 LEU 14 -3.134 -3.735 -3.432 105 HD12 LEU 14 2HD1 LEU 14 -4.710 -2.987 -3.163 106 HD13 LEU 14 3HD1 LEU 14 -4.472 -4.698 -2.805 107 HD21 LEU 14 3HD2 LEU 14 -3.177 -5.400 -0.856 108 HD22 LEU 14 1HD2 LEU 14 -2.413 -4.207 0.194 109 HD23 LEU 14 2HD2 LEU 14 -1.779 -4.491 -1.427 110 H LEU 15 HN LEU 15 -2.868 -2.642 2.189 111 HA LEU 15 HA LEU 15 0.059 -2.976 2.291 112 HB2 LEU 15 2HB LEU 15 -0.455 -1.473 4.024 113 HB3 LEU 15 1HB LEU 15 -1.879 -2.373 4.497 114 HG LEU 15 HG LEU 15 -0.417 -4.191 5.345 115 HD11 LEU 15 1HD1 LEU 15 1.532 -3.814 3.950 116 HD12 LEU 15 2HD1 LEU 15 1.965 -3.769 5.659 117 HD13 LEU 15 3HD1 LEU 15 1.820 -2.266 4.745 118 HD21 LEU 15 3HD2 LEU 15 0.353 -3.001 7.336 119 HD22 LEU 15 1HD2 LEU 15 -1.266 -2.490 6.861 120 HD23 LEU 15 2HD2 LEU 15 0.123 -1.463 6.506 121 H VAL 16 HN VAL 16 0.731 -4.958 2.215 122 HA VAL 16 HA VAL 16 -1.045 -7.118 3.118 123 HB VAL 16 HB VAL 16 1.205 -7.206 1.082 124 HG11 VAL 16 1HG1 VAL 16 0.591 -9.555 0.745 125 HG12 VAL 16 2HG1 VAL 16 -0.569 -9.440 2.068 126 HG13 VAL 16 3HG1 VAL 16 1.156 -9.263 2.390 127 HG21 VAL 16 3HG2 VAL 16 -0.550 -7.763 -0.514 128 HG22 VAL 16 1HG2 VAL 16 -0.860 -6.201 0.240 129 HG23 VAL 16 2HG2 VAL 16 -1.766 -7.626 0.756 130 H LYS 17 HN LYS 17 -0.469 -7.899 5.026 131 HA LYS 17 HA LYS 17 2.199 -7.382 6.017 132 HB2 LYS 17 2HB LYS 17 -0.249 -8.579 7.301 133 HB3 LYS 17 1HB LYS 17 1.315 -8.572 8.103 134 HG2 LYS 17 2HG LYS 17 1.285 -6.029 7.684 135 HG3 LYS 17 1HG LYS 17 -0.439 -6.249 7.380 136 HD2 LYS 17 2HD LYS 17 0.940 -7.193 9.893 137 HD3 LYS 17 1HD LYS 17 0.176 -5.612 9.745 138 HE2 LYS 17 2HE LYS 17 -1.294 -8.179 9.200 139 HE3 LYS 17 1HE LYS 17 -1.197 -7.473 10.811 140 HZ1 LYS 17 3HZ LYS 17 -3.231 -6.840 9.621 141 HZ2 LYS 17 1HZ LYS 17 -2.299 -6.089 8.424 142 HZ3 LYS 17 2HZ LYS 17 -2.277 -5.497 10.006 143 H HIS 18 HN HIS 18 3.110 -9.293 7.401 144 HA HIS 18 HA HIS 18 2.908 -11.839 6.089 145 HB2 HIS 18 2HB HIS 18 5.507 -11.824 5.763 146 HB3 HIS 18 1HB HIS 18 4.481 -11.101 4.534 147 HD1 HIS 18 1HD HIS 18 7.090 -10.250 7.080 148 HD2 HIS 18 2HD HIS 18 4.682 -8.292 4.316 149 HE1 HIS 18 1HE HIS 18 8.001 -7.926 6.917 150 HE2 HIS 18 2HE HIS 18 6.747 -6.897 5.016 151 H SER 19 HN SER 19 4.297 -13.467 7.156 152 HA SER 19 HA SER 19 3.903 -13.474 9.901 153 HB2 SER 19 2HB SER 19 5.548 -15.411 9.840 154 HB3 SER 19 1HB SER 19 4.167 -15.539 8.747 155 HG SER 19 HG SER 19 6.308 -16.016 7.837 156 H GLN 20 HN GLN 20 6.881 -12.919 8.099 157 HA GLN 20 HA GLN 20 8.408 -12.303 10.449 158 HB2 GLN 20 2HB GLN 20 9.083 -11.983 7.527 159 HB3 GLN 20 1HB GLN 20 10.222 -11.849 8.858 160 HG2 GLN 20 2HG GLN 20 8.669 -14.326 8.137 161 HG3 GLN 20 1HG GLN 20 10.351 -14.014 7.713 162 HE21 GLN 20 1HE2 GLN 20 9.172 -16.148 9.312 163 HE22 GLN 20 2HE2 GLN 20 9.950 -16.074 10.854 164 H SER 21 HN SER 21 6.174 -10.594 10.236 165 HA SER 21 HA SER 21 7.406 -8.012 9.570 166 HB2 SER 21 2HB SER 21 5.226 -8.478 8.457 167 HB3 SER 21 1HB SER 21 4.473 -8.662 10.039 168 HG SER 21 HG SER 21 4.735 -6.424 8.682 169 H ARG 22 HN ARG 22 6.070 -6.317 11.148 170 HA ARG 22 HA ARG 22 7.272 -6.736 13.709 171 HB2 ARG 22 2HB ARG 22 5.264 -4.604 12.971 172 HB3 ARG 22 1HB ARG 22 6.470 -4.544 14.250 173 HG2 ARG 22 2HG ARG 22 8.245 -4.576 12.540 174 HG3 ARG 22 1HG ARG 22 7.005 -4.544 11.287 175 HD2 ARG 22 2HD ARG 22 7.748 -2.316 11.551 176 HD3 ARG 22 1HD ARG 22 6.174 -2.410 12.331 177 HE ARG 22 HE ARG 22 7.283 -2.410 14.453 178 HH11 ARG 22 1HH1 ARG 22 9.367 -1.698 11.714 179 HH12 ARG 22 2HH1 ARG 22 10.535 -0.852 12.657 180 HH21 ARG 22 1HH2 ARG 22 8.851 -1.291 15.710 181 HH22 ARG 22 2HH2 ARG 22 10.240 -0.619 14.934 182 H ARG 23 HN ARG 23 4.189 -7.292 12.301 183 HA ARG 23 HA ARG 23 3.301 -8.597 14.733 184 HB2 ARG 23 2HB ARG 23 2.320 -6.335 14.868 185 HB3 ARG 23 1HB ARG 23 1.593 -6.560 13.285 186 HG2 ARG 23 2HG ARG 23 0.207 -8.355 14.133 187 HG3 ARG 23 1HG ARG 23 0.982 -8.240 15.713 188 HD2 ARG 23 2HD ARG 23 -0.638 -6.074 14.377 189 HD3 ARG 23 1HD ARG 23 -1.201 -7.129 15.672 190 HE ARG 23 HE ARG 23 1.166 -5.503 16.173 191 HH11 ARG 23 1HH1 ARG 23 -2.256 -6.066 16.747 192 HH12 ARG 23 2HH1 ARG 23 -2.334 -4.973 18.087 193 HH21 ARG 23 1HH2 ARG 23 1.055 -4.058 17.942 194 HH22 ARG 23 2HH2 ARG 23 -0.442 -3.829 18.774 195 HA PRO 24 HA PRO 24 2.145 -11.299 11.314 196 HB2 PRO 24 2HB PRO 24 2.259 -13.591 12.660 197 HB3 PRO 24 1HB PRO 24 3.740 -12.710 12.262 198 HG2 PRO 24 2HG PRO 24 2.263 -12.856 14.856 199 HG3 PRO 24 1HG PRO 24 4.008 -12.861 14.558 200 HD2 PRO 24 2HD PRO 24 2.509 -10.636 15.309 201 HD3 PRO 24 1HD PRO 24 4.116 -10.584 14.560 202 H SER 25 HN SER 25 0.302 -9.910 13.348 203 HA SER 25 HA SER 25 -1.958 -11.767 13.095 204 HB2 SER 25 2HB SER 25 -1.510 -9.818 15.368 205 HB3 SER 25 1HB SER 25 -2.804 -11.009 15.228 206 HG SER 25 HG SER 25 -0.772 -12.478 15.009 207 H SER 26 HN SER 26 -3.955 -10.807 12.593 208 HA SER 26 HA SER 26 -4.036 -7.932 12.190 209 HB2 SER 26 2HB SER 26 -3.185 -9.077 10.064 210 HB3 SER 26 1HB SER 26 -4.788 -9.799 9.938 211 H TRP 27 HN TRP 27 -6.383 -7.522 11.128 212 HA TRP 27 HA TRP 27 -8.213 -8.662 13.063 213 HB2 TRP 27 2HB TRP 27 -9.828 -6.998 12.230 214 HB3 TRP 27 1HB TRP 27 -8.298 -6.247 12.652 215 HD1 TRP 27 1HD TRP 27 -6.744 -5.412 10.557 216 HE1 TRP 27 1HE TRP 27 -7.416 -4.646 8.188 217 HE3 TRP 27 3HE TRP 27 -11.471 -7.350 10.368 218 HZ2 TRP 27 2HZ TRP 27 -9.635 -4.833 6.479 219 HZ3 TRP 27 3HZ TRP 27 -12.802 -7.006 8.331 220 HH2 TRP 27 2HH TRP 27 -11.902 -5.772 6.425 221 H ARG 28 HN ARG 28 -7.645 -8.750 9.619 222 HA ARG 28 HA ARG 28 -10.029 -10.261 9.048 223 HB2 ARG 28 2HB ARG 28 -9.147 -10.385 6.764 224 HB3 ARG 28 1HB ARG 28 -9.129 -8.736 7.371 225 HG2 ARG 28 2HG ARG 28 -6.766 -8.829 7.742 226 HG3 ARG 28 1HG ARG 28 -6.729 -10.552 7.366 227 HD2 ARG 28 2HD ARG 28 -7.459 -8.335 5.460 228 HD3 ARG 28 1HD ARG 28 -5.929 -9.209 5.494 229 HE ARG 28 HE ARG 28 -8.492 -10.563 4.970 230 HH11 ARG 28 1HH1 ARG 28 -5.126 -9.943 4.160 231 HH12 ARG 28 2HH1 ARG 28 -5.131 -10.992 2.787 232 HH21 ARG 28 1HH2 ARG 28 -8.493 -11.990 3.191 233 HH22 ARG 28 2HH2 ARG 28 -7.063 -12.196 2.245 234 H GLN 29 HN GLN 29 -6.825 -10.931 10.019 235 HA GLN 29 HA GLN 29 -7.329 -13.776 9.955 236 HB2 GLN 29 2HB GLN 29 -6.334 -13.193 7.727 237 HB3 GLN 29 1HB GLN 29 -4.913 -12.601 8.568 238 HG2 GLN 29 2HG GLN 29 -4.397 -14.795 9.366 239 HG3 GLN 29 1HG GLN 29 -5.917 -15.428 8.734 240 HE21 GLN 29 1HE2 GLN 29 -3.159 -16.195 8.162 241 HE22 GLN 29 2HE2 GLN 29 -2.969 -16.038 6.450 242 H GLU 30 HN GLU 30 -6.667 -14.544 11.849 243 HA GLU 30 HA GLU 30 -5.382 -12.907 13.761 244 HB2 GLU 30 2HB GLU 30 -5.738 -15.898 13.859 245 HB3 GLU 30 1HB GLU 30 -5.485 -14.821 15.221 246 HG2 GLU 30 2HG GLU 30 -7.645 -13.790 14.836 247 HG3 GLU 30 1HG GLU 30 -7.895 -14.814 13.421 248 H LYS 31 HN LYS 31 -4.260 -15.597 11.773 249 HA LYS 31 HA LYS 31 -1.529 -14.948 12.642 250 HB2 LYS 31 2HB LYS 31 -0.959 -17.350 12.294 251 HB3 LYS 31 1HB LYS 31 -2.088 -17.070 13.610 252 HG2 LYS 31 2HG LYS 31 -3.938 -17.763 12.185 253 HG3 LYS 31 1HG LYS 31 -2.824 -18.009 10.843 254 HD2 LYS 31 2HD LYS 31 -1.642 -19.710 12.185 255 HD3 LYS 31 1HD LYS 31 -2.836 -19.491 13.467 256 HE2 LYS 31 2HE LYS 31 -3.407 -21.426 12.126 257 HE3 LYS 31 1HE LYS 31 -4.609 -20.157 11.902 258 HZ1 LYS 31 3HZ LYS 31 -3.519 -19.557 9.816 259 HZ2 LYS 31 1HZ LYS 31 -4.013 -21.173 9.810 260 HZ3 LYS 31 2HZ LYS 31 -2.388 -20.796 10.042 261 H ILE 32 HN ILE 32 -0.591 -13.907 11.038 262 HA ILE 32 HA ILE 32 -1.227 -14.459 8.283 263 HB ILE 32 HB ILE 32 1.021 -12.759 9.402 264 HG12 ILE 32 2HG1 ILE 32 -1.172 -11.951 10.183 265 HG13 ILE 32 1HG1 ILE 32 -0.452 -10.828 9.037 266 HG21 ILE 32 1HG2 ILE 32 -0.239 -12.835 6.666 267 HG22 ILE 32 2HG2 ILE 32 1.379 -13.395 7.092 268 HG23 ILE 32 3HG2 ILE 32 0.982 -11.680 7.196 269 HD11 ILE 32 3HD1 ILE 32 -2.829 -11.074 8.642 270 HD12 ILE 32 1HD1 ILE 32 -2.636 -12.816 8.444 271 HD13 ILE 32 2HD1 ILE 32 -1.909 -11.711 7.278 272 H THR 33 HN THR 33 -0.541 -16.330 7.480 273 HA THR 33 HA THR 33 1.856 -17.583 8.504 274 HB THR 33 HB THR 33 1.162 -19.492 7.052 275 HG1 THR 33 1HG THR 33 -0.705 -19.345 5.881 276 HG21 THR 33 3HG2 THR 33 -0.836 -20.070 8.355 277 HG22 THR 33 1HG2 THR 33 -0.990 -18.390 8.868 278 HG23 THR 33 2HG2 THR 33 0.401 -19.344 9.381 279 H ARG 34 HN ARG 34 0.913 -15.735 5.762 280 HA ARG 34 HA ARG 34 2.743 -16.790 3.888 281 HB2 ARG 34 2HB ARG 34 2.188 -14.953 2.493 282 HB3 ARG 34 1HB ARG 34 0.722 -15.369 3.364 283 HG2 ARG 34 2HG ARG 34 1.283 -13.520 4.968 284 HG3 ARG 34 1HG ARG 34 2.556 -13.042 3.846 285 HD2 ARG 34 2HD ARG 34 0.826 -11.701 3.161 286 HD3 ARG 34 1HD ARG 34 0.630 -13.089 2.095 287 HE ARG 34 HE ARG 34 -1.160 -13.854 3.575 288 HH11 ARG 34 1HH1 ARG 34 -0.112 -10.532 3.903 289 HH12 ARG 34 2HH1 ARG 34 -1.627 -9.960 4.521 290 HH21 ARG 34 1HH2 ARG 34 -3.185 -13.104 4.449 291 HH22 ARG 34 2HH2 ARG 34 -3.354 -11.423 4.863 292 H THR 35 HN THR 35 4.821 -16.439 3.530 293 HA THR 35 HA THR 35 6.284 -14.831 5.454 294 HB THR 35 HB THR 35 7.108 -17.091 4.929 295 HG1 THR 35 1HG THR 35 9.217 -15.780 3.787 296 HG21 THR 35 3HG2 THR 35 8.114 -17.571 2.730 297 HG22 THR 35 1HG2 THR 35 7.532 -16.016 2.137 298 HG23 THR 35 2HG2 THR 35 6.382 -17.266 2.614 299 H LYS 36 HN LYS 36 8.381 -13.780 4.262 300 HA LYS 36 HA LYS 36 7.373 -11.466 3.004 301 HB2 LYS 36 2HB LYS 36 9.467 -11.552 4.337 302 HB3 LYS 36 1HB LYS 36 10.227 -12.455 3.037 303 HG2 LYS 36 2HG LYS 36 9.904 -10.554 1.529 304 HG3 LYS 36 1HG LYS 36 9.151 -9.646 2.841 305 HD2 LYS 36 2HD LYS 36 11.234 -9.784 4.124 306 HD3 LYS 36 1HD LYS 36 11.981 -10.698 2.813 307 HE2 LYS 36 2HE LYS 36 11.641 -8.788 1.309 308 HE3 LYS 36 1HE LYS 36 10.925 -7.878 2.635 309 HZ1 LYS 36 3HZ LYS 36 13.254 -7.315 2.276 310 HZ2 LYS 36 1HZ LYS 36 13.706 -8.914 2.578 311 HZ3 LYS 36 2HZ LYS 36 13.018 -7.985 3.809 312 H GLU 37 HN GLU 37 9.077 -14.291 1.731 313 HA GLU 37 HA GLU 37 9.423 -13.511 -0.905 314 HB2 GLU 37 2HB GLU 37 8.685 -16.311 -0.027 315 HB3 GLU 37 1HB GLU 37 9.567 -15.857 -1.474 316 HG2 GLU 37 2HG GLU 37 11.259 -16.606 -0.114 317 HG3 GLU 37 1HG GLU 37 11.293 -14.874 0.212 318 H GLU 38 HN GLU 38 6.588 -14.894 0.649 319 HA GLU 38 HA GLU 38 5.067 -15.146 -1.752 320 HB2 GLU 38 2HB GLU 38 4.182 -15.129 1.135 321 HB3 GLU 38 1HB GLU 38 3.182 -15.600 -0.232 322 HG2 GLU 38 2HG GLU 38 4.636 -17.471 -0.695 323 HG3 GLU 38 1HG GLU 38 5.729 -16.970 0.592 324 H ALA 39 HN ALA 39 5.389 -12.731 0.779 325 HA ALA 39 HA ALA 39 3.212 -11.101 0.107 326 HB1 ALA 39 1HB ALA 39 4.370 -9.330 1.324 327 HB2 ALA 39 2HB ALA 39 5.864 -10.265 1.282 328 HB3 ALA 39 3HB ALA 39 4.478 -10.860 2.194 329 H LEU 40 HN LEU 40 6.559 -11.105 -1.068 330 HA LEU 40 HA LEU 40 6.380 -8.851 -2.728 331 HB2 LEU 40 2HB LEU 40 8.139 -11.251 -2.653 332 HB3 LEU 40 1HB LEU 40 8.144 -10.292 -4.116 333 HG LEU 40 HG LEU 40 9.985 -9.648 -2.690 334 HD11 LEU 40 1HD1 LEU 40 8.935 -7.914 -4.044 335 HD12 LEU 40 2HD1 LEU 40 9.596 -7.264 -2.547 336 HD13 LEU 40 3HD1 LEU 40 7.861 -7.514 -2.703 337 HD21 LEU 40 3HD2 LEU 40 9.598 -8.606 -0.494 338 HD22 LEU 40 1HD2 LEU 40 9.110 -10.301 -0.531 339 HD23 LEU 40 2HD2 LEU 40 7.890 -9.031 -0.614 340 H GLU 41 HN GLU 41 5.625 -12.237 -3.350 341 HA GLU 41 HA GLU 41 5.070 -11.936 -6.103 342 HB2 GLU 41 2HB GLU 41 4.065 -14.004 -4.144 343 HB3 GLU 41 1HB GLU 41 3.893 -14.109 -5.889 344 HG2 GLU 41 2HG GLU 41 6.439 -14.162 -4.294 345 HG3 GLU 41 1HG GLU 41 5.727 -15.478 -5.229 346 H LEU 42 HN LEU 42 3.021 -11.805 -3.230 347 HA LEU 42 HA LEU 42 0.573 -11.531 -4.597 348 HB2 LEU 42 2HB LEU 42 1.365 -10.581 -1.847 349 HB3 LEU 42 1HB LEU 42 -0.276 -10.602 -2.457 350 HG LEU 42 HG LEU 42 1.466 -13.024 -1.995 351 HD11 LEU 42 1HD1 LEU 42 -0.947 -11.999 -0.511 352 HD12 LEU 42 2HD1 LEU 42 0.717 -11.994 0.074 353 HD13 LEU 42 3HD1 LEU 42 -0.116 -13.524 -0.202 354 HD21 LEU 42 3HD2 LEU 42 -0.581 -14.304 -2.473 355 HD22 LEU 42 1HD2 LEU 42 -0.035 -13.381 -3.873 356 HD23 LEU 42 2HD2 LEU 42 -1.401 -12.807 -2.918 357 H ILE 43 HN ILE 43 2.697 -9.080 -3.132 358 HA ILE 43 HA ILE 43 1.220 -6.815 -3.741 359 HB ILE 43 HB ILE 43 4.214 -7.152 -3.543 360 HG12 ILE 43 2HG1 ILE 43 2.899 -7.615 -1.497 361 HG13 ILE 43 1HG1 ILE 43 3.946 -6.214 -1.318 362 HG21 ILE 43 1HG2 ILE 43 2.632 -4.587 -3.690 363 HG22 ILE 43 2HG2 ILE 43 3.791 -5.178 -4.881 364 HG23 ILE 43 3HG2 ILE 43 4.341 -4.704 -3.274 365 HD11 ILE 43 3HD1 ILE 43 1.816 -5.770 -0.303 366 HD12 ILE 43 1HD1 ILE 43 0.974 -6.188 -1.796 367 HD13 ILE 43 2HD1 ILE 43 2.000 -4.755 -1.734 368 H ASN 44 HN ASN 44 3.907 -8.156 -5.684 369 HA ASN 44 HA ASN 44 3.606 -6.310 -7.786 370 HB2 ASN 44 2HB ASN 44 4.905 -9.022 -7.673 371 HB3 ASN 44 1HB ASN 44 4.865 -8.071 -9.154 372 HD21 ASN 44 1HD2 ASN 44 6.253 -8.425 -6.019 373 HD22 ASN 44 2HD2 ASN 44 7.447 -7.185 -6.189 374 H GLY 45 HN GLY 45 2.152 -9.442 -7.196 375 HA2 GLY 45 2HA GLY 45 0.958 -9.809 -9.713 376 HA3 GLY 45 1HA GLY 45 0.393 -10.505 -8.203 377 H TYR 46 HN TYR 46 -0.299 -8.298 -6.747 378 HA TYR 46 HA TYR 46 -2.851 -7.691 -7.700 379 HB2 TYR 46 2HB TYR 46 -1.170 -6.224 -5.658 380 HB3 TYR 46 1HB TYR 46 -2.873 -5.893 -5.946 381 HD1 TYR 46 1HD TYR 46 -3.856 -8.721 -6.283 382 HD2 TYR 46 2HD TYR 46 -1.194 -7.002 -3.443 383 HE1 TYR 46 1HE TYR 46 -4.460 -10.470 -4.669 384 HE2 TYR 46 2HE TYR 46 -1.790 -8.753 -1.824 385 HH TYR 46 HH TYR 46 -3.507 -11.551 -2.682 386 H ILE 47 HN ILE 47 0.142 -5.838 -7.896 387 HA ILE 47 HA ILE 47 -0.853 -3.496 -9.044 388 HB ILE 47 HB ILE 47 1.822 -4.833 -9.531 389 HG12 ILE 47 2HG1 ILE 47 1.068 -2.642 -7.585 390 HG13 ILE 47 1HG1 ILE 47 1.297 -4.332 -7.152 391 HG21 ILE 47 1HG2 ILE 47 0.970 -1.979 -10.021 392 HG22 ILE 47 2HG2 ILE 47 1.362 -3.178 -11.253 393 HG23 ILE 47 3HG2 ILE 47 2.617 -2.592 -10.162 394 HD11 ILE 47 3HD1 ILE 47 3.245 -2.977 -6.607 395 HD12 ILE 47 1HD1 ILE 47 3.401 -2.516 -8.302 396 HD13 ILE 47 2HD1 ILE 47 3.629 -4.197 -7.821 397 H GLN 48 HN GLN 48 0.151 -6.532 -10.542 398 HA GLN 48 HA GLN 48 -0.153 -5.676 -13.224 399 HB2 GLN 48 2HB GLN 48 -0.363 -8.502 -12.170 400 HB3 GLN 48 1HB GLN 48 -0.018 -8.022 -13.824 401 HG2 GLN 48 2HG GLN 48 1.742 -7.603 -11.420 402 HG3 GLN 48 1HG GLN 48 2.004 -8.739 -12.742 403 HE21 GLN 48 1HE2 GLN 48 3.656 -6.533 -11.729 404 HE22 GLN 48 2HE2 GLN 48 3.954 -5.510 -13.088 405 H LYS 49 HN LYS 49 -2.314 -7.312 -10.948 406 HA LYS 49 HA LYS 49 -4.442 -7.857 -12.689 407 HB2 LYS 49 2HB LYS 49 -4.652 -7.120 -9.764 408 HB3 LYS 49 1HB LYS 49 -5.837 -8.010 -10.705 409 HG2 LYS 49 2HG LYS 49 -4.308 -9.868 -10.938 410 HG3 LYS 49 1HG LYS 49 -3.047 -8.965 -10.100 411 HD2 LYS 49 2HD LYS 49 -3.956 -10.389 -8.464 412 HD3 LYS 49 1HD LYS 49 -4.680 -8.814 -8.150 413 HE2 LYS 49 2HE LYS 49 -6.389 -10.486 -7.986 414 HE3 LYS 49 1HE LYS 49 -6.673 -9.534 -9.442 415 HZ1 LYS 49 3HZ LYS 49 -6.944 -11.923 -9.815 416 HZ2 LYS 49 1HZ LYS 49 -5.329 -12.183 -9.390 417 HZ3 LYS 49 2HZ LYS 49 -5.708 -11.283 -10.763 418 H ILE 50 HN ILE 50 -3.673 -4.982 -10.808 419 HA ILE 50 HA ILE 50 -6.031 -3.532 -11.343 420 HB ILE 50 HB ILE 50 -3.260 -2.495 -10.697 421 HG12 ILE 50 2HG1 ILE 50 -5.620 -2.985 -8.869 422 HG13 ILE 50 1HG1 ILE 50 -4.245 -4.072 -9.034 423 HG21 ILE 50 1HG2 ILE 50 -5.937 -1.113 -10.483 424 HG22 ILE 50 2HG2 ILE 50 -4.679 -0.751 -11.664 425 HG23 ILE 50 3HG2 ILE 50 -4.390 -0.455 -9.949 426 HD11 ILE 50 3HD1 ILE 50 -4.063 -2.673 -7.052 427 HD12 ILE 50 1HD1 ILE 50 -4.129 -1.229 -8.063 428 HD13 ILE 50 2HD1 ILE 50 -2.762 -2.337 -8.196 429 H LYS 51 HN LYS 51 -2.896 -3.650 -12.995 430 HA LYS 51 HA LYS 51 -3.520 -1.611 -14.873 431 HB2 LYS 51 2HB LYS 51 -1.442 -3.794 -14.981 432 HB3 LYS 51 1HB LYS 51 -1.558 -2.477 -16.137 433 HG2 LYS 51 2HG LYS 51 -1.237 -0.879 -14.256 434 HG3 LYS 51 1HG LYS 51 -0.961 -2.262 -13.193 435 HD2 LYS 51 2HD LYS 51 1.167 -1.363 -13.914 436 HD3 LYS 51 1HD LYS 51 0.924 -2.951 -14.644 437 HE2 LYS 51 2HE LYS 51 0.219 -1.894 -16.732 438 HE3 LYS 51 1HE LYS 51 0.408 -0.302 -16.001 439 HZ1 LYS 51 3HZ LYS 51 2.309 -0.845 -17.348 440 HZ2 LYS 51 1HZ LYS 51 2.570 -2.276 -16.489 441 HZ3 LYS 51 2HZ LYS 51 2.775 -0.783 -15.729 442 H SER 52 HN SER 52 -3.960 -5.083 -14.859 443 HA SER 52 HA SER 52 -4.738 -5.201 -17.617 444 HB2 SER 52 2HB SER 52 -5.085 -7.209 -15.384 445 HB3 SER 52 1HB SER 52 -5.341 -7.528 -17.102 446 HG SER 52 HG SER 52 -3.226 -7.366 -17.478 447 H GLY 53 HN GLY 53 -6.271 -4.304 -14.725 448 HA2 GLY 53 2HA GLY 53 -8.379 -3.350 -14.522 449 HA3 GLY 53 1HA GLY 53 -8.771 -3.928 -16.136 450 H GLU 54 HN GLU 54 -7.433 -6.260 -14.057 451 HA GLU 54 HA GLU 54 -9.767 -7.872 -14.121 452 HB2 GLU 54 2HB GLU 54 -7.277 -8.112 -12.423 453 HB3 GLU 54 1HB GLU 54 -8.509 -9.355 -12.581 454 HG2 GLU 54 2HG GLU 54 -6.790 -8.294 -14.807 455 HG3 GLU 54 1HG GLU 54 -6.557 -9.822 -13.961 456 H GLU 55 HN GLU 55 -8.064 -6.340 -11.428 457 HA GLU 55 HA GLU 55 -10.632 -5.946 -10.088 458 HB2 GLU 55 2HB GLU 55 -8.117 -7.119 -8.918 459 HB3 GLU 55 1HB GLU 55 -9.349 -6.371 -7.916 460 HG2 GLU 55 2HG GLU 55 -9.763 -8.731 -9.734 461 HG3 GLU 55 1HG GLU 55 -9.562 -8.798 -7.983 462 H ASP 56 HN ASP 56 -10.799 -4.066 -8.964 463 HA ASP 56 HA ASP 56 -8.978 -1.985 -9.698 464 HB2 ASP 56 2HB ASP 56 -11.445 -2.049 -7.975 465 HB3 ASP 56 1HB ASP 56 -10.482 -0.590 -8.180 466 H PHE 57 HN PHE 57 -7.914 -0.576 -8.212 467 HA PHE 57 HA PHE 57 -6.330 -1.865 -6.304 468 HB2 PHE 57 2HB PHE 57 -5.711 0.270 -7.379 469 HB3 PHE 57 1HB PHE 57 -7.010 1.080 -6.514 470 HD1 PHE 57 2HD PHE 57 -3.705 -0.472 -6.208 471 HD2 PHE 57 1HD PHE 57 -6.788 1.654 -4.189 472 HE1 PHE 57 2HE PHE 57 -2.171 -0.016 -4.348 473 HE2 PHE 57 1HE PHE 57 -5.252 2.111 -2.327 474 HZ PHE 57 HZ PHE 57 -2.943 1.277 -2.406 475 H GLU 58 HN GLU 58 -9.234 0.095 -5.976 476 HA GLU 58 HA GLU 58 -9.405 0.076 -3.169 477 HB2 GLU 58 2HB GLU 58 -11.641 0.278 -5.192 478 HB3 GLU 58 1HB GLU 58 -11.719 0.775 -3.507 479 HG2 GLU 58 2HG GLU 58 -10.135 2.529 -3.888 480 HG3 GLU 58 1HG GLU 58 -9.842 1.967 -5.533 481 H SER 59 HN SER 59 -10.610 -2.115 -5.650 482 HA SER 59 HA SER 59 -12.219 -3.722 -3.989 483 HB2 SER 59 2HB SER 59 -12.206 -3.631 -6.546 484 HB3 SER 59 1HB SER 59 -10.779 -4.657 -6.477 485 HG SER 59 HG SER 59 -12.207 -6.214 -6.449 486 H LEU 60 HN LEU 60 -8.862 -4.043 -5.095 487 HA LEU 60 HA LEU 60 -8.370 -6.460 -3.714 488 HB2 LEU 60 2HB LEU 60 -6.472 -4.361 -4.749 489 HB3 LEU 60 1HB LEU 60 -5.969 -5.915 -4.115 490 HG LEU 60 HG LEU 60 -7.734 -5.546 -6.537 491 HD11 LEU 60 1HD1 LEU 60 -4.811 -6.245 -6.368 492 HD12 LEU 60 2HD1 LEU 60 -5.471 -4.707 -6.923 493 HD13 LEU 60 3HD1 LEU 60 -5.785 -6.182 -7.838 494 HD21 LEU 60 3HD2 LEU 60 -7.247 -7.929 -6.915 495 HD22 LEU 60 1HD2 LEU 60 -8.121 -7.659 -5.407 496 HD23 LEU 60 2HD2 LEU 60 -6.389 -7.984 -5.376 497 H ALA 61 HN ALA 61 -7.969 -3.077 -2.864 498 HA ALA 61 HA ALA 61 -6.490 -3.488 -0.503 499 HB1 ALA 61 1HB ALA 61 -7.084 -1.200 0.071 500 HB2 ALA 61 2HB ALA 61 -8.332 -1.197 -1.174 501 HB3 ALA 61 3HB ALA 61 -6.632 -1.315 -1.630 502 H SER 62 HN SER 62 -9.985 -3.070 -1.017 503 HA SER 62 HA SER 62 -10.562 -3.319 1.775 504 HB2 SER 62 2HB SER 62 -12.413 -3.414 -0.606 505 HB3 SER 62 1HB SER 62 -12.901 -3.225 1.079 506 HG SER 62 HG SER 62 -11.508 -1.325 1.072 507 H GLN 63 HN GLN 63 -9.432 -5.670 -0.091 508 HA GLN 63 HA GLN 63 -11.113 -7.685 1.221 509 HB2 GLN 63 2HB GLN 63 -10.335 -7.703 -1.689 510 HB3 GLN 63 1HB GLN 63 -11.023 -9.083 -0.846 511 HG2 GLN 63 2HG GLN 63 -13.057 -7.831 -0.405 512 HG3 GLN 63 1HG GLN 63 -12.363 -6.407 -1.176 513 HE21 GLN 63 1HE2 GLN 63 -11.095 -7.954 -3.284 514 HE22 GLN 63 2HE2 GLN 63 -12.358 -8.428 -4.362 515 H PHE 64 HN PHE 64 -8.101 -7.245 -0.649 516 HA PHE 64 HA PHE 64 -7.042 -9.658 0.616 517 HB2 PHE 64 2HB PHE 64 -6.037 -8.030 -1.717 518 HB3 PHE 64 1HB PHE 64 -5.215 -9.445 -1.070 519 HD1 PHE 64 1HD PHE 64 -8.220 -8.265 -2.833 520 HD2 PHE 64 2HD PHE 64 -5.986 -11.648 -1.552 521 HE1 PHE 64 1HE PHE 64 -9.584 -9.708 -4.286 522 HE2 PHE 64 2HE PHE 64 -7.344 -13.099 -3.001 523 HZ PHE 64 HZ PHE 64 -9.147 -12.128 -4.369 524 H SER 65 HN SER 65 -6.919 -6.341 1.108 525 HA SER 65 HA SER 65 -4.190 -6.334 2.080 526 HB2 SER 65 2HB SER 65 -5.082 -4.337 0.929 527 HB3 SER 65 1HB SER 65 -6.290 -4.153 2.199 528 HG SER 65 HG SER 65 -3.612 -4.330 2.966 529 H ASP 66 HN ASP 66 -3.575 -6.286 4.194 530 HA ASP 66 HA ASP 66 -5.598 -7.159 6.121 531 HB2 ASP 66 2HB ASP 66 -2.653 -6.902 6.691 532 HB3 ASP 66 1HB ASP 66 -3.829 -7.963 7.454 533 H SER 67 HN SER 67 -4.949 -4.324 5.072 534 HA SER 67 HA SER 67 -4.081 -2.886 7.394 535 HB2 SER 67 2HB SER 67 -3.643 -2.018 5.139 536 HB3 SER 67 1HB SER 67 -5.373 -1.912 4.831 537 HG SER 67 HG SER 67 -3.737 -0.318 6.453 538 H SER 68 HN SER 68 -5.334 -1.626 8.770 539 HA SER 68 HA SER 68 -8.043 -2.476 9.150 540 HB2 SER 68 2HB SER 68 -6.513 -1.875 11.036 541 HB3 SER 68 1HB SER 68 -6.544 -0.203 10.487 542 HG SER 68 HG SER 68 -8.628 -1.755 11.590 543 H SER 69 HN SER 69 -6.414 -0.029 7.433 544 HA SER 69 HA SER 69 -8.664 1.756 7.206 545 HB2 SER 69 2HB SER 69 -6.068 1.750 5.667 546 HB3 SER 69 1HB SER 69 -7.200 3.091 5.836 547 HG SER 69 HG SER 69 -5.964 3.600 7.458 548 H ALA 70 HN ALA 70 -7.869 -1.171 5.884 549 HA ALA 70 HA ALA 70 -8.373 -0.942 3.148 550 HB1 ALA 70 1HB ALA 70 -8.860 -3.325 3.201 551 HB2 ALA 70 2HB ALA 70 -9.032 -3.265 4.955 552 HB3 ALA 70 3HB ALA 70 -7.462 -2.956 4.213 553 H LYS 71 HN LYS 71 -10.542 -1.050 5.871 554 HA LYS 71 HA LYS 71 -12.961 -1.591 4.549 555 HB2 LYS 71 2HB LYS 71 -12.405 0.030 7.035 556 HB3 LYS 71 1HB LYS 71 -14.010 -0.460 6.512 557 HG2 LYS 71 2HG LYS 71 -13.529 -2.750 6.881 558 HG3 LYS 71 1HG LYS 71 -11.806 -2.423 7.089 559 HD2 LYS 71 2HD LYS 71 -12.228 -1.231 9.137 560 HD3 LYS 71 1HD LYS 71 -13.971 -1.361 8.898 561 HE2 LYS 71 2HE LYS 71 -12.141 -3.735 9.212 562 HE3 LYS 71 1HE LYS 71 -12.994 -2.975 10.554 563 HZ1 LYS 71 3HZ LYS 71 -14.169 -4.907 9.660 564 HZ2 LYS 71 1HZ LYS 71 -14.303 -4.146 8.160 565 HZ3 LYS 71 2HZ LYS 71 -15.083 -3.499 9.511 566 H ALA 72 HN ALA 72 -11.022 1.266 4.758 567 HA ALA 72 HA ALA 72 -13.117 2.922 3.555 568 HB1 ALA 72 1HB ALA 72 -11.603 4.799 4.025 569 HB2 ALA 72 2HB ALA 72 -10.403 3.669 4.653 570 HB3 ALA 72 3HB ALA 72 -11.945 3.866 5.482 571 H ARG 73 HN ARG 73 -11.578 0.726 2.219 572 HA ARG 73 HA ARG 73 -10.756 0.267 0.152 573 HB2 ARG 73 2HB ARG 73 -11.239 3.200 -0.403 574 HB3 ARG 73 1HB ARG 73 -10.826 1.997 -1.614 575 HG2 ARG 73 2HG ARG 73 -12.907 0.811 -1.144 576 HG3 ARG 73 1HG ARG 73 -13.320 2.025 0.070 577 HD2 ARG 73 2HD ARG 73 -13.302 3.754 -1.646 578 HD3 ARG 73 1HD ARG 73 -12.867 2.555 -2.861 579 HE ARG 73 HE ARG 73 -15.285 1.929 -1.451 580 HH11 ARG 73 1HH1 ARG 73 -13.896 3.666 -4.189 581 HH12 ARG 73 2HH1 ARG 73 -15.411 3.787 -5.027 582 HH21 ARG 73 1HH2 ARG 73 -17.274 2.077 -2.601 583 HH22 ARG 73 2HH2 ARG 73 -17.323 2.884 -4.130 584 H GLY 74 HN GLY 74 -9.153 1.620 2.431 585 HA2 GLY 74 2HA GLY 74 -6.847 1.708 2.728 586 HA3 GLY 74 1HA GLY 74 -6.647 1.569 0.985 587 H ASP 75 HN ASP 75 -8.901 3.917 1.830 588 HA ASP 75 HA ASP 75 -7.367 6.043 0.787 589 HB2 ASP 75 2HB ASP 75 -9.727 6.202 0.582 590 HB3 ASP 75 1HB ASP 75 -9.970 5.955 2.306 591 H LEU 76 HN LEU 76 -5.910 7.296 1.699 592 HA LEU 76 HA LEU 76 -5.535 7.188 4.590 593 HB2 LEU 76 2HB LEU 76 -3.783 7.302 2.437 594 HB3 LEU 76 1HB LEU 76 -3.748 8.928 3.081 595 HG LEU 76 HG LEU 76 -3.110 6.410 4.623 596 HD11 LEU 76 1HD1 LEU 76 -1.327 8.623 3.635 597 HD12 LEU 76 2HD1 LEU 76 -1.411 6.986 2.984 598 HD13 LEU 76 3HD1 LEU 76 -0.832 7.252 4.628 599 HD21 LEU 76 3HD2 LEU 76 -2.389 7.922 6.405 600 HD22 LEU 76 1HD2 LEU 76 -4.110 8.106 6.062 601 HD23 LEU 76 2HD2 LEU 76 -2.958 9.303 5.466 602 H GLY 77 HN GLY 77 -7.013 9.077 2.225 603 HA2 GLY 77 2HA GLY 77 -8.243 10.999 2.483 604 HA3 GLY 77 1HA GLY 77 -7.645 11.130 4.133 605 H ALA 78 HN ALA 78 -7.520 13.430 3.453 606 HA ALA 78 HA ALA 78 -5.301 14.077 1.711 607 HB1 ALA 78 1HB ALA 78 -5.946 16.401 2.093 608 HB2 ALA 78 2HB ALA 78 -7.120 15.885 3.303 609 HB3 ALA 78 3HB ALA 78 -7.338 15.431 1.613 610 H PHE 79 HN PHE 79 -3.340 13.871 2.528 611 HA PHE 79 HA PHE 79 -2.900 14.800 5.275 612 HB2 PHE 79 2HB PHE 79 -0.921 13.251 5.327 613 HB3 PHE 79 1HB PHE 79 -2.474 12.438 5.240 614 HD1 PHE 79 2HD PHE 79 -3.187 11.369 3.122 615 HD2 PHE 79 1HD PHE 79 0.705 13.020 3.610 616 HE1 PHE 79 2HE PHE 79 -2.403 10.086 1.177 617 HE2 PHE 79 1HE PHE 79 1.495 11.737 1.666 618 HZ PHE 79 HZ PHE 79 -0.060 10.267 0.449 619 H SER 80 HN SER 80 -0.933 15.918 5.700 620 HA SER 80 HA SER 80 0.536 16.887 3.387 621 HB2 SER 80 2HB SER 80 -0.893 18.831 5.211 622 HB3 SER 80 1HB SER 80 0.041 19.212 3.764 623 HG SER 80 HG SER 80 -1.745 17.489 2.992 624 H ARG 81 HN ARG 81 2.136 18.651 4.195 625 HA ARG 81 HA ARG 81 3.868 19.307 5.473 626 HB2 ARG 81 2HB ARG 81 2.229 18.182 7.751 627 HB3 ARG 81 1HB ARG 81 3.668 19.177 7.941 628 HG2 ARG 81 2HG ARG 81 2.582 21.043 6.883 629 HG3 ARG 81 1HG ARG 81 1.172 20.057 6.505 630 HD2 ARG 81 2HD ARG 81 0.698 19.797 8.874 631 HD3 ARG 81 1HD ARG 81 2.145 20.715 9.281 632 HE ARG 81 HE ARG 81 0.756 22.407 7.688 633 HH11 ARG 81 1HH1 ARG 81 -0.081 20.637 10.595 634 HH12 ARG 81 2HH1 ARG 81 -1.231 21.802 11.138 635 HH21 ARG 81 1HH2 ARG 81 -0.768 23.975 8.412 636 HH22 ARG 81 2HH2 ARG 81 -1.613 23.723 9.897 637 H GLY 82 HN GLY 82 3.388 16.334 4.601 638 HA2 GLY 82 2HA GLY 82 4.776 14.510 4.431 639 HA3 GLY 82 1HA GLY 82 6.021 15.480 5.199 640 H GLN 83 HN GLN 83 2.924 14.812 6.673 641 HA GLN 83 HA GLN 83 4.265 13.620 8.923 642 HB2 GLN 83 2HB GLN 83 1.334 14.134 8.423 643 HB3 GLN 83 1HB GLN 83 2.018 13.569 9.943 644 HG2 GLN 83 2HG GLN 83 3.278 15.615 10.175 645 HG3 GLN 83 1HG GLN 83 2.698 16.176 8.608 646 HE21 GLN 83 1HE2 GLN 83 0.582 16.870 8.407 647 HE22 GLN 83 2HE2 GLN 83 -0.391 17.258 9.783 648 H MET 84 HN MET 84 5.099 11.820 7.822 649 HA MET 84 HA MET 84 3.697 9.413 8.178 650 HB2 MET 84 2HB MET 84 2.529 10.333 6.102 651 HB3 MET 84 1HB MET 84 4.065 10.186 5.269 652 HG2 MET 84 2HG MET 84 2.664 8.316 4.727 653 HG3 MET 84 1HG MET 84 4.036 7.764 5.683 654 HE1 MET 84 3HE MET 84 -0.212 8.292 7.426 655 HE2 MET 84 1HE MET 84 0.232 8.746 5.781 656 HE3 MET 84 2HE MET 84 0.880 9.649 7.153 657 H GLN 85 HN GLN 85 5.088 7.552 7.402 658 HA GLN 85 HA GLN 85 7.813 7.960 7.882 659 HB2 GLN 85 2HB GLN 85 6.356 5.708 6.506 660 HB3 GLN 85 1HB GLN 85 8.093 5.679 6.753 661 HG2 GLN 85 2HG GLN 85 6.027 5.884 8.927 662 HG3 GLN 85 1HG GLN 85 6.893 4.421 8.463 663 HE21 GLN 85 1HE2 GLN 85 9.054 4.189 9.018 664 HE22 GLN 85 2HE2 GLN 85 9.825 5.234 10.163 665 H LYS 86 HN LYS 86 9.582 8.251 6.604 666 HA LYS 86 HA LYS 86 9.298 9.814 4.344 667 HB2 LYS 86 2HB LYS 86 11.305 9.784 5.794 668 HB3 LYS 86 1HB LYS 86 11.765 8.241 5.094 669 HG2 LYS 86 2HG LYS 86 13.023 10.006 4.056 670 HG3 LYS 86 1HG LYS 86 11.900 9.320 2.880 671 HD2 LYS 86 2HD LYS 86 10.339 11.183 3.338 672 HD3 LYS 86 1HD LYS 86 11.528 11.878 4.437 673 HE2 LYS 86 2HE LYS 86 13.119 12.045 2.570 674 HE3 LYS 86 1HE LYS 86 11.891 11.391 1.486 675 HZ1 LYS 86 3HZ LYS 86 11.811 13.716 1.240 676 HZ2 LYS 86 1HZ LYS 86 11.857 13.986 2.913 677 HZ3 LYS 86 2HZ LYS 86 10.476 13.324 2.207 678 HA PRO 87 HA PRO 87 10.526 5.816 1.620 679 HB2 PRO 87 2HB PRO 87 8.911 3.910 3.249 680 HB3 PRO 87 1HB PRO 87 10.391 3.623 2.330 681 HG2 PRO 87 2HG PRO 87 10.452 3.798 4.983 682 HG3 PRO 87 1HG PRO 87 11.749 4.483 3.990 683 HD2 PRO 87 2HD PRO 87 9.549 5.859 5.445 684 HD3 PRO 87 1HD PRO 87 11.210 6.392 5.138 685 H PHE 88 HN PHE 88 7.542 6.069 3.471 686 HA PHE 88 HA PHE 88 5.825 5.367 1.287 687 HB2 PHE 88 2HB PHE 88 5.331 5.018 3.750 688 HB3 PHE 88 1HB PHE 88 5.100 6.754 3.877 689 HD1 PHE 88 1HD PHE 88 3.192 7.829 2.729 690 HD2 PHE 88 2HD PHE 88 3.670 3.603 2.826 691 HE1 PHE 88 1HE PHE 88 0.831 7.552 2.112 692 HE2 PHE 88 2HE PHE 88 1.307 3.319 2.203 693 HZ PHE 88 HZ PHE 88 -0.114 5.299 1.846 694 H GLU 89 HN GLU 89 6.789 8.331 2.946 695 HA GLU 89 HA GLU 89 5.161 10.167 1.608 696 HB2 GLU 89 2HB GLU 89 6.385 10.734 3.631 697 HB3 GLU 89 1HB GLU 89 7.916 10.531 2.789 698 HG2 GLU 89 2HG GLU 89 7.138 12.376 1.240 699 HG3 GLU 89 1HG GLU 89 5.857 12.673 2.410 700 H ASP 90 HN ASP 90 8.498 9.168 0.912 701 HA ASP 90 HA ASP 90 9.035 10.861 -1.220 702 HB2 ASP 90 2HB ASP 90 10.763 9.525 -0.126 703 HB3 ASP 90 1HB ASP 90 10.058 8.049 -0.775 704 H ALA 91 HN ALA 91 7.240 7.873 -1.189 705 HA ALA 91 HA ALA 91 7.124 7.753 -4.078 706 HB1 ALA 91 1HB ALA 91 5.770 5.737 -3.723 707 HB2 ALA 91 2HB ALA 91 5.795 6.044 -1.985 708 HB3 ALA 91 3HB ALA 91 7.292 5.677 -2.837 709 H SER 92 HN SER 92 4.944 8.484 -1.386 710 HA SER 92 HA SER 92 2.581 8.708 -2.914 711 HB2 SER 92 2HB SER 92 3.232 10.082 -0.300 712 HB3 SER 92 1HB SER 92 1.623 9.784 -0.959 713 HG SER 92 HG SER 92 3.521 7.860 -0.096 714 H PHE 93 HN PHE 93 4.935 11.142 -1.857 715 HA PHE 93 HA PHE 93 3.459 13.285 -3.081 716 HB2 PHE 93 2HB PHE 93 6.151 13.156 -1.732 717 HB3 PHE 93 1HB PHE 93 5.535 14.630 -2.472 718 HD1 PHE 93 1HD PHE 93 4.669 12.050 0.069 719 HD2 PHE 93 2HD PHE 93 4.181 16.060 -1.252 720 HE1 PHE 93 1HE PHE 93 3.448 12.578 2.139 721 HE2 PHE 93 2HE PHE 93 2.960 16.597 0.816 722 HZ PHE 93 HZ PHE 93 2.593 14.854 2.515 723 H ALA 94 HN ALA 94 5.250 10.893 -4.369 724 HA ALA 94 HA ALA 94 6.308 12.562 -6.535 725 HB1 ALA 94 1HB ALA 94 7.616 10.610 -7.189 726 HB2 ALA 94 2HB ALA 94 6.871 9.671 -5.894 727 HB3 ALA 94 3HB ALA 94 7.915 11.037 -5.505 728 H LEU 95 HN LEU 95 3.605 10.907 -5.727 729 HA LEU 95 HA LEU 95 3.104 9.674 -8.289 730 HB2 LEU 95 2HB LEU 95 1.352 10.056 -5.871 731 HB3 LEU 95 1HB LEU 95 0.857 9.214 -7.324 732 HG LEU 95 HG LEU 95 3.098 8.366 -5.494 733 HD11 LEU 95 1HD1 LEU 95 0.332 7.245 -5.894 734 HD12 LEU 95 2HD1 LEU 95 0.913 8.102 -4.466 735 HD13 LEU 95 3HD1 LEU 95 1.600 6.537 -4.895 736 HD21 LEU 95 3HD2 LEU 95 3.537 7.693 -7.774 737 HD22 LEU 95 1HD2 LEU 95 1.898 7.063 -7.929 738 HD23 LEU 95 2HD2 LEU 95 3.035 6.294 -6.828 739 H ARG 96 HN ARG 96 1.790 10.404 -9.845 740 HA ARG 96 HA ARG 96 0.933 13.192 -9.682 741 HB2 ARG 96 2HB ARG 96 1.368 11.282 -11.970 742 HB3 ARG 96 1HB ARG 96 0.457 12.763 -12.189 743 HG2 ARG 96 2HG ARG 96 2.691 13.152 -12.919 744 HG3 ARG 96 1HG ARG 96 2.461 14.030 -11.408 745 HD2 ARG 96 2HD ARG 96 4.629 12.931 -11.447 746 HD3 ARG 96 1HD ARG 96 3.601 12.236 -10.197 747 HE ARG 96 HE ARG 96 3.188 10.610 -12.331 748 HH11 ARG 96 1HH1 ARG 96 6.075 11.751 -10.707 749 HH12 ARG 96 2HH1 ARG 96 6.984 10.314 -11.013 750 HH21 ARG 96 1HH2 ARG 96 4.388 8.667 -12.732 751 HH22 ARG 96 2HH2 ARG 96 6.022 8.558 -12.164 752 H THR 97 HN THR 97 -1.159 13.361 -11.326 753 HA THR 97 HA THR 97 -3.282 12.208 -9.817 754 HB THR 97 HB THR 97 -3.400 13.687 -12.457 755 HG1 THR 97 1HG THR 97 -3.520 14.596 -9.738 756 HG21 THR 97 3HG2 THR 97 -5.517 13.242 -10.342 757 HG22 THR 97 1HG2 THR 97 -5.462 12.455 -11.918 758 HG23 THR 97 2HG2 THR 97 -5.708 14.197 -11.811 759 H GLY 98 HN GLY 98 -3.460 10.024 -9.978 760 HA2 GLY 98 2HA GLY 98 -4.545 8.224 -11.093 761 HA3 GLY 98 1HA GLY 98 -4.102 8.947 -12.635 762 H GLU 99 HN GLU 99 -1.716 8.854 -10.176 763 HA GLU 99 HA GLU 99 -0.261 6.817 -11.710 764 HB2 GLU 99 2HB GLU 99 0.784 9.049 -11.553 765 HB3 GLU 99 1HB GLU 99 0.781 8.917 -9.803 766 HG2 GLU 99 2HG GLU 99 2.981 8.461 -10.669 767 HG3 GLU 99 1HG GLU 99 2.301 7.003 -9.952 768 H MET 100 HN MET 100 0.795 5.133 -10.653 769 HA MET 100 HA MET 100 0.149 4.733 -7.821 770 HB2 MET 100 2HB MET 100 -1.497 3.465 -9.125 771 HB3 MET 100 1HB MET 100 -0.203 2.686 -10.021 772 HG2 MET 100 2HG MET 100 0.569 1.588 -7.991 773 HG3 MET 100 1HG MET 100 -0.688 2.401 -7.062 774 HE1 MET 100 3HE MET 100 0.075 -0.137 -9.920 775 HE2 MET 100 1HE MET 100 -1.108 0.899 -10.713 776 HE3 MET 100 2HE MET 100 -1.522 -0.769 -10.316 777 H SER 101 HN SER 101 1.776 3.899 -6.649 778 HA SER 101 HA SER 101 4.303 3.447 -8.029 779 HB2 SER 101 2HB SER 101 4.167 4.990 -6.034 780 HB3 SER 101 1HB SER 101 3.788 3.582 -5.045 781 HG SER 101 HG SER 101 5.811 2.976 -5.123 782 H GLY 102 HN GLY 102 5.650 1.604 -7.302 783 HA2 GLY 102 2HA GLY 102 4.034 -0.793 -7.273 784 HA3 GLY 102 1HA GLY 102 5.779 -0.707 -7.468 785 HA PRO 103 HA PRO 103 5.207 -2.441 -3.288 786 HB2 PRO 103 2HB PRO 103 7.676 -3.615 -3.202 787 HB3 PRO 103 1HB PRO 103 6.263 -4.379 -3.934 788 HG2 PRO 103 2HG PRO 103 8.513 -2.908 -5.239 789 HG3 PRO 103 1HG PRO 103 7.694 -4.392 -5.757 790 HD2 PRO 103 2HD PRO 103 7.165 -1.979 -6.849 791 HD3 PRO 103 1HD PRO 103 5.927 -3.239 -6.687 792 H VAL 104 HN VAL 104 5.287 -0.601 -2.045 793 HA VAL 104 HA VAL 104 7.862 0.719 -1.676 794 HB VAL 104 HB VAL 104 5.151 1.435 -0.526 795 HG11 VAL 104 1HG1 VAL 104 7.739 2.985 -0.568 796 HG12 VAL 104 2HG1 VAL 104 6.983 2.257 0.848 797 HG13 VAL 104 3HG1 VAL 104 6.189 3.593 0.013 798 HG21 VAL 104 3HG2 VAL 104 5.129 3.238 -2.187 799 HG22 VAL 104 1HG2 VAL 104 5.180 1.654 -2.957 800 HG23 VAL 104 2HG2 VAL 104 6.642 2.635 -2.862 801 H PHE 105 HN PHE 105 9.143 -0.290 -0.291 802 HA PHE 105 HA PHE 105 8.152 -1.976 1.784 803 HB2 PHE 105 2HB PHE 105 10.954 -0.979 1.252 804 HB3 PHE 105 1HB PHE 105 10.529 -2.238 2.405 805 HD1 PHE 105 1HD PHE 105 9.365 -4.323 1.498 806 HD2 PHE 105 2HD PHE 105 11.383 -1.508 -0.972 807 HE1 PHE 105 1HE PHE 105 9.535 -6.011 -0.282 808 HE2 PHE 105 2HE PHE 105 11.555 -3.188 -2.755 809 HZ PHE 105 HZ PHE 105 10.632 -5.441 -2.415 810 H THR 106 HN THR 106 7.282 -1.253 3.562 811 HA THR 106 HA THR 106 8.409 1.148 4.842 812 HB THR 106 HB THR 106 5.553 0.265 5.227 813 HG1 THR 106 1HG THR 106 6.543 0.932 2.893 814 HG21 THR 106 3HG2 THR 106 5.219 2.681 5.639 815 HG22 THR 106 1HG2 THR 106 6.933 2.958 5.338 816 HG23 THR 106 2HG2 THR 106 6.425 1.995 6.726 817 H ASP 107 HN ASP 107 7.866 1.137 7.266 818 HA ASP 107 HA ASP 107 9.120 -0.928 8.557 819 HB2 ASP 107 2HB ASP 107 7.070 0.996 9.658 820 HB3 ASP 107 1HB ASP 107 8.122 -0.013 10.646 821 H SER 108 HN SER 108 5.598 -0.528 8.190 822 HA SER 108 HA SER 108 5.039 -2.898 9.696 823 HB2 SER 108 2HB SER 108 2.674 -2.445 8.704 824 HB3 SER 108 1HB SER 108 3.349 -1.323 9.885 825 HG SER 108 HG SER 108 3.067 0.136 8.438 826 H GLY 109 HN GLY 109 5.893 -2.338 6.453 827 HA2 GLY 109 2HA GLY 109 6.288 -4.737 5.501 828 HA3 GLY 109 1HA GLY 109 4.528 -4.739 5.504 829 H ILE 110 HN ILE 110 4.641 -5.010 3.210 830 HA ILE 110 HA ILE 110 5.761 -2.824 1.672 831 HB ILE 110 HB ILE 110 4.228 -5.213 0.639 832 HG12 ILE 110 2HG1 ILE 110 7.223 -4.902 0.960 833 HG13 ILE 110 1HG1 ILE 110 6.203 -5.893 1.997 834 HG21 ILE 110 1HG2 ILE 110 6.157 -3.290 -0.666 835 HG22 ILE 110 2HG2 ILE 110 4.419 -3.392 -0.952 836 HG23 ILE 110 3HG2 ILE 110 5.474 -4.719 -1.442 837 HD11 ILE 110 3HD1 ILE 110 5.624 -7.291 0.084 838 HD12 ILE 110 1HD1 ILE 110 7.366 -7.236 0.349 839 HD13 ILE 110 2HD1 ILE 110 6.642 -6.291 -0.954 840 H HIS 111 HN HIS 111 4.638 -1.147 0.980 841 HA HIS 111 HA HIS 111 1.694 -1.267 1.128 842 HB2 HIS 111 2HB HIS 111 3.556 1.093 1.516 843 HB3 HIS 111 1HB HIS 111 1.811 1.233 1.388 844 HD1 HIS 111 1HD HIS 111 0.937 1.740 3.660 845 HD2 HIS 111 2HD HIS 111 4.008 -1.062 3.784 846 HE1 HIS 111 1HE HIS 111 1.180 1.112 6.072 847 HE2 HIS 111 2HE HIS 111 3.029 -0.581 6.139 848 H ILE 112 HN ILE 112 0.602 -0.891 -0.703 849 HA ILE 112 HA ILE 112 2.082 0.113 -3.039 850 HB ILE 112 HB ILE 112 -0.730 -1.025 -2.985 851 HG12 ILE 112 2HG1 ILE 112 1.848 -2.458 -3.678 852 HG13 ILE 112 1HG1 ILE 112 0.912 -2.713 -2.209 853 HG21 ILE 112 1HG2 ILE 112 1.217 -0.615 -5.256 854 HG22 ILE 112 2HG2 ILE 112 -0.191 0.389 -4.914 855 HG23 ILE 112 3HG2 ILE 112 -0.405 -1.297 -5.395 856 HD11 ILE 112 3HD1 ILE 112 0.492 -4.474 -3.823 857 HD12 ILE 112 1HD1 ILE 112 -0.011 -3.280 -5.019 858 HD13 ILE 112 2HD1 ILE 112 -0.966 -3.520 -3.558 859 H ILE 113 HN ILE 113 1.755 2.182 -3.655 860 HA ILE 113 HA ILE 113 -0.440 3.627 -2.316 861 HB ILE 113 HB ILE 113 2.091 4.900 -3.350 862 HG12 ILE 113 2HG1 ILE 113 1.545 3.989 -0.516 863 HG13 ILE 113 1HG1 ILE 113 2.601 3.143 -1.642 864 HG21 ILE 113 1HG2 ILE 113 0.032 5.778 -1.322 865 HG22 ILE 113 2HG2 ILE 113 0.189 6.385 -2.969 866 HG23 ILE 113 3HG2 ILE 113 1.465 6.690 -1.793 867 HD11 ILE 113 3HD1 ILE 113 3.876 4.506 -0.099 868 HD12 ILE 113 1HD1 ILE 113 2.987 5.942 -0.611 869 HD13 ILE 113 2HD1 ILE 113 4.043 5.106 -1.750 870 H LEU 114 HN LEU 114 -1.880 4.702 -3.514 871 HA LEU 114 HA LEU 114 -1.275 5.213 -6.341 872 HB2 LEU 114 2HB LEU 114 -2.646 3.121 -6.042 873 HB3 LEU 114 1HB LEU 114 -3.903 4.107 -5.331 874 HG LEU 114 HG LEU 114 -2.939 4.666 -8.127 875 HD11 LEU 114 1HD1 LEU 114 -5.043 2.662 -7.322 876 HD12 LEU 114 2HD1 LEU 114 -3.487 2.293 -8.068 877 HD13 LEU 114 3HD1 LEU 114 -4.705 3.199 -8.967 878 HD21 LEU 114 3HD2 LEU 114 -5.216 5.509 -8.395 879 HD22 LEU 114 1HD2 LEU 114 -4.395 6.314 -7.058 880 HD23 LEU 114 2HD2 LEU 114 -5.588 5.056 -6.731 881 H ARG 115 HN ARG 115 -1.814 7.208 -6.997 882 HA ARG 115 HA ARG 115 -3.527 8.841 -5.228 883 HB2 ARG 115 2HB ARG 115 -1.202 9.596 -5.142 884 HB3 ARG 115 1HB ARG 115 -1.150 9.696 -6.896 885 HG2 ARG 115 2HG ARG 115 -2.857 11.465 -6.824 886 HG3 ARG 115 1HG ARG 115 -2.835 11.386 -5.061 887 HD2 ARG 115 2HD ARG 115 -0.481 12.024 -5.051 888 HD3 ARG 115 1HD ARG 115 -0.474 12.062 -6.816 889 HE ARG 115 HE ARG 115 -2.497 13.760 -5.764 890 HH11 ARG 115 1HH1 ARG 115 0.962 13.618 -6.387 891 HH12 ARG 115 2HH1 ARG 115 1.141 15.337 -6.414 892 HH21 ARG 115 1HH2 ARG 115 -2.253 15.994 -5.811 893 HH22 ARG 115 2HH2 ARG 115 -0.699 16.699 -6.086 894 H THR 116 HN THR 116 -5.283 9.759 -6.167 895 HA THR 116 HA THR 116 -5.461 9.572 -9.102 896 HB THR 116 HB THR 116 -8.033 9.719 -8.487 897 HG1 THR 116 1HG THR 116 -7.179 9.739 -6.111 898 HG21 THR 116 3HG2 THR 116 -8.129 7.272 -8.552 899 HG22 THR 116 1HG2 THR 116 -6.404 7.192 -8.200 900 HG23 THR 116 2HG2 THR 116 -6.962 7.890 -9.720 901 H GLU 117 HN GLU 117 -4.970 11.748 -6.759 902 HA GLU 117 HA GLU 117 -6.119 13.888 -8.355 903 HB2 GLU 117 2HB GLU 117 -6.740 15.049 -6.144 904 HB3 GLU 117 1HB GLU 117 -7.796 13.774 -6.725 905 HG2 GLU 117 2HG GLU 117 -5.642 13.218 -4.707 906 HG3 GLU 117 1HG GLU 117 -7.213 13.847 -4.223 Start of MODEL 6 1 H1 GLY 1 1HT GLY 1 0.624 22.138 -6.898 2 H2 GLY 1 2HT GLY 1 -0.690 21.093 -7.106 3 H3 GLY 1 3HT GLY 1 -0.944 22.760 -7.045 4 HA2 GLY 1 1HA GLY 1 -1.095 21.967 -9.308 5 HA3 GLY 1 2HA GLY 1 0.274 23.049 -9.100 6 H SER 2 HN SER 2 1.007 21.957 -11.088 7 HA SER 2 HA SER 2 1.890 19.220 -10.806 8 HB2 SER 2 2HB SER 2 1.028 19.989 -12.971 9 HB3 SER 2 1HB SER 2 2.300 21.206 -13.056 10 HG SER 2 HG SER 2 2.383 18.642 -13.795 11 H HIS 3 HN HIS 3 3.503 22.333 -11.502 12 HA HIS 3 HA HIS 3 6.084 21.242 -10.894 13 HB2 HIS 3 2HB HIS 3 5.846 23.034 -12.557 14 HB3 HIS 3 1HB HIS 3 5.223 24.113 -11.316 15 HD1 HIS 3 1HD HIS 3 6.990 25.808 -10.900 16 HD2 HIS 3 2HD HIS 3 8.567 21.982 -11.301 17 HE1 HIS 3 1HE HIS 3 9.451 26.037 -10.451 18 HE2 HIS 3 2HE HIS 3 10.399 23.735 -10.815 19 H MET 4 HN MET 4 3.789 23.372 -9.299 20 HA MET 4 HA MET 4 5.436 23.478 -6.912 21 HB2 MET 4 2HB MET 4 4.188 25.486 -7.625 22 HB3 MET 4 1HB MET 4 2.678 24.605 -7.444 23 HG2 MET 4 2HG MET 4 3.108 24.358 -5.053 24 HG3 MET 4 1HG MET 4 4.618 25.248 -5.235 25 HE1 MET 4 3HE MET 4 2.361 27.786 -3.301 26 HE2 MET 4 1HE MET 4 3.899 26.921 -3.322 27 HE3 MET 4 2HE MET 4 2.390 26.032 -3.115 28 H GLU 5 HN GLU 5 5.412 21.785 -5.617 29 HA GLU 5 HA GLU 5 3.410 19.797 -5.718 30 HB2 GLU 5 2HB GLU 5 5.502 20.233 -3.592 31 HB3 GLU 5 1HB GLU 5 4.593 18.755 -3.871 32 HG2 GLU 5 2HG GLU 5 5.619 18.772 -6.201 33 HG3 GLU 5 1HG GLU 5 6.727 19.986 -5.568 34 HA PRO 6 HA PRO 6 0.374 21.774 -3.148 35 HB2 PRO 6 2HB PRO 6 -0.617 19.009 -2.788 36 HB3 PRO 6 1HB PRO 6 -1.454 20.429 -3.421 37 HG2 PRO 6 2HG PRO 6 -0.680 18.445 -5.031 38 HG3 PRO 6 1HG PRO 6 -0.622 20.139 -5.551 39 HD2 PRO 6 2HD PRO 6 1.596 18.351 -4.651 40 HD3 PRO 6 1HD PRO 6 1.568 19.570 -5.945 41 H ALA 7 HN ALA 7 -0.167 21.922 -0.987 42 HA ALA 7 HA ALA 7 1.720 20.794 0.872 43 HB1 ALA 7 1HB ALA 7 0.538 22.148 2.540 44 HB2 ALA 7 2HB ALA 7 -0.697 22.545 1.346 45 HB3 ALA 7 3HB ALA 7 0.961 23.106 1.121 46 H ARG 8 HN ARG 8 -1.371 20.052 -0.349 47 HA ARG 8 HA ARG 8 -1.616 17.830 1.552 48 HB2 ARG 8 2HB ARG 8 -3.906 19.515 0.516 49 HB3 ARG 8 1HB ARG 8 -4.058 18.093 1.534 50 HG2 ARG 8 2HG ARG 8 -2.840 19.272 3.320 51 HG3 ARG 8 1HG ARG 8 -2.769 20.707 2.295 52 HD2 ARG 8 2HD ARG 8 -5.241 20.712 2.206 53 HD3 ARG 8 1HD ARG 8 -5.256 19.348 3.323 54 HE ARG 8 HE ARG 8 -3.930 21.832 4.134 55 HH11 ARG 8 1HH1 ARG 8 -6.541 19.537 4.552 56 HH12 ARG 8 2HH1 ARG 8 -7.116 20.261 6.011 57 HH21 ARG 8 1HH2 ARG 8 -4.672 22.792 6.053 58 HH22 ARG 8 2HH2 ARG 8 -6.051 22.142 6.872 59 H VAL 9 HN VAL 9 -1.792 15.933 0.563 60 HA VAL 9 HA VAL 9 -2.799 15.846 -2.198 61 HB VAL 9 HB VAL 9 -1.104 14.121 -2.761 62 HG11 VAL 9 1HG1 VAL 9 0.066 16.753 -1.868 63 HG12 VAL 9 2HG1 VAL 9 -0.701 16.424 -3.421 64 HG13 VAL 9 3HG1 VAL 9 0.817 15.630 -3.000 65 HG21 VAL 9 3HG2 VAL 9 -0.609 13.322 -0.510 66 HG22 VAL 9 1HG2 VAL 9 0.133 14.871 -0.111 67 HG23 VAL 9 2HG2 VAL 9 0.869 13.828 -1.329 68 H ARG 10 HN ARG 10 -3.345 13.534 -2.825 69 HA ARG 10 HA ARG 10 -4.307 12.075 -0.461 70 HB2 ARG 10 2HB ARG 10 -6.255 13.057 -1.456 71 HB3 ARG 10 1HB ARG 10 -5.765 12.527 -3.063 72 HG2 ARG 10 2HG ARG 10 -5.983 10.173 -2.284 73 HG3 ARG 10 1HG ARG 10 -6.639 10.786 -0.769 74 HD2 ARG 10 2HD ARG 10 -8.527 11.713 -1.885 75 HD3 ARG 10 1HD ARG 10 -7.825 11.382 -3.470 76 HE ARG 10 HE ARG 10 -8.144 9.028 -1.845 77 HH11 ARG 10 1HH1 ARG 10 -9.815 11.179 -4.063 78 HH12 ARG 10 2HH1 ARG 10 -10.893 9.955 -4.630 79 HH21 ARG 10 1HH2 ARG 10 -9.566 7.429 -2.592 80 HH22 ARG 10 2HH2 ARG 10 -10.759 7.812 -3.786 81 H CYS 11 HN CYS 11 -3.706 10.052 -0.336 82 HA CYS 11 HA CYS 11 -3.001 8.635 -2.789 83 HB2 CYS 11 2HB CYS 11 -1.378 8.580 -0.237 84 HB3 CYS 11 1HB CYS 11 -1.067 7.620 -1.675 85 HG CYS 11 HG CYS 11 0.761 9.799 -1.300 86 H SER 12 HN SER 12 -3.672 6.592 -2.869 87 HA SER 12 HA SER 12 -5.138 5.539 -0.581 88 HB2 SER 12 2HB SER 12 -4.971 4.526 -3.435 89 HB3 SER 12 1HB SER 12 -6.077 3.954 -2.187 90 HG SER 12 HG SER 12 -6.586 6.447 -2.197 91 H HIS 13 HN HIS 13 -4.728 3.158 -0.084 92 HA HIS 13 HA HIS 13 -1.975 2.398 -0.664 93 HB2 HIS 13 2HB HIS 13 -1.321 2.298 1.700 94 HB3 HIS 13 1HB HIS 13 -1.709 3.938 1.195 95 HD1 HIS 13 1HD HIS 13 -2.055 2.047 4.051 96 HD2 HIS 13 2HD HIS 13 -4.802 4.221 1.828 97 HE1 HIS 13 1HE HIS 13 -3.966 2.504 5.600 98 HE2 HIS 13 2HE HIS 13 -5.637 3.780 4.232 99 H LEU 14 HN LEU 14 -1.585 0.311 -0.568 100 HA LEU 14 HA LEU 14 -3.590 -1.468 0.655 101 HB2 LEU 14 2HB LEU 14 -3.508 -1.790 -1.750 102 HB3 LEU 14 1HB LEU 14 -1.762 -1.909 -1.715 103 HG LEU 14 HG LEU 14 -1.978 -4.024 -0.409 104 HD11 LEU 14 1HD1 LEU 14 -4.195 -3.578 0.519 105 HD12 LEU 14 2HD1 LEU 14 -4.081 -5.150 -0.273 106 HD13 LEU 14 3HD1 LEU 14 -4.888 -3.811 -1.087 107 HD21 LEU 14 3HD2 LEU 14 -2.794 -5.388 -2.321 108 HD22 LEU 14 1HD2 LEU 14 -1.593 -4.174 -2.758 109 HD23 LEU 14 2HD2 LEU 14 -3.298 -3.894 -3.108 110 H LEU 15 HN LEU 15 -2.845 -2.334 2.487 111 HA LEU 15 HA LEU 15 0.060 -2.704 2.752 112 HB2 LEU 15 2HB LEU 15 -0.667 -1.179 4.412 113 HB3 LEU 15 1HB LEU 15 -2.062 -2.156 4.809 114 HG LEU 15 HG LEU 15 -0.678 -3.792 5.939 115 HD11 LEU 15 1HD1 LEU 15 1.680 -2.129 5.073 116 HD12 LEU 15 2HD1 LEU 15 1.268 -3.738 4.478 117 HD13 LEU 15 3HD1 LEU 15 1.738 -3.514 6.163 118 HD21 LEU 15 3HD2 LEU 15 0.260 -2.409 7.735 119 HD22 LEU 15 1HD2 LEU 15 -1.342 -1.857 7.251 120 HD23 LEU 15 2HD2 LEU 15 0.089 -0.984 6.714 121 H VAL 16 HN VAL 16 0.822 -4.656 2.816 122 HA VAL 16 HA VAL 16 -0.958 -6.865 3.587 123 HB VAL 16 HB VAL 16 -0.526 -6.835 1.136 124 HG11 VAL 16 1HG1 VAL 16 2.356 -7.198 1.919 125 HG12 VAL 16 2HG1 VAL 16 1.650 -5.805 1.101 126 HG13 VAL 16 3HG1 VAL 16 1.712 -7.369 0.287 127 HG21 VAL 16 3HG2 VAL 16 0.761 -9.141 2.588 128 HG22 VAL 16 1HG2 VAL 16 0.208 -9.165 0.914 129 HG23 VAL 16 2HG2 VAL 16 -0.954 -8.958 2.225 130 H LYS 17 HN LYS 17 -0.144 -8.302 5.035 131 HA LYS 17 HA LYS 17 2.341 -7.587 6.347 132 HB2 LYS 17 2HB LYS 17 0.264 -9.682 6.974 133 HB3 LYS 17 1HB LYS 17 1.724 -9.455 7.918 134 HG2 LYS 17 2HG LYS 17 0.967 -7.106 8.348 135 HG3 LYS 17 1HG LYS 17 -0.566 -7.536 7.582 136 HD2 LYS 17 2HD LYS 17 -0.832 -9.371 9.211 137 HD3 LYS 17 1HD LYS 17 0.658 -8.861 10.001 138 HE2 LYS 17 2HE LYS 17 -1.201 -7.986 11.237 139 HE3 LYS 17 1HE LYS 17 -0.393 -6.649 10.422 140 HZ1 LYS 17 3HZ LYS 17 -2.085 -6.552 8.815 141 HZ2 LYS 17 1HZ LYS 17 -2.868 -6.649 10.308 142 HZ3 LYS 17 2HZ LYS 17 -2.770 -8.019 9.313 143 H HIS 18 HN HIS 18 3.535 -9.651 7.231 144 HA HIS 18 HA HIS 18 3.890 -11.706 5.247 145 HB2 HIS 18 2HB HIS 18 6.450 -11.303 5.359 146 HB3 HIS 18 1HB HIS 18 5.498 -10.286 4.292 147 HD1 HIS 18 1HD HIS 18 6.968 -10.111 7.807 148 HD2 HIS 18 2HD HIS 18 5.961 -7.649 4.624 149 HE1 HIS 18 1HE HIS 18 7.724 -7.812 8.469 150 HE2 HIS 18 2HE HIS 18 7.421 -6.459 6.383 151 H SER 19 HN SER 19 5.115 -13.485 6.068 152 HA SER 19 HA SER 19 4.332 -14.396 8.487 153 HB2 SER 19 2HB SER 19 5.406 -15.717 6.651 154 HB3 SER 19 1HB SER 19 6.972 -15.152 7.233 155 HG SER 19 HG SER 19 5.086 -16.513 8.856 156 H GLN 20 HN GLN 20 7.539 -12.904 7.914 157 HA GLN 20 HA GLN 20 7.977 -12.896 10.783 158 HB2 GLN 20 2HB GLN 20 9.788 -11.990 8.540 159 HB3 GLN 20 1HB GLN 20 10.227 -12.044 10.241 160 HG2 GLN 20 2HG GLN 20 9.512 -14.388 8.499 161 HG3 GLN 20 1HG GLN 20 11.118 -13.957 9.087 162 HE21 GLN 20 1HE2 GLN 20 11.637 -14.326 11.233 163 HE22 GLN 20 2HE2 GLN 20 10.678 -15.337 12.255 164 H SER 21 HN SER 21 6.009 -11.415 10.792 165 HA SER 21 HA SER 21 6.906 -8.629 10.569 166 HB2 SER 21 2HB SER 21 4.868 -9.187 9.263 167 HB3 SER 21 1HB SER 21 4.073 -9.697 10.751 168 HG SER 21 HG SER 21 4.193 -7.253 9.739 169 H ARG 22 HN ARG 22 5.879 -7.200 12.290 170 HA ARG 22 HA ARG 22 6.696 -8.148 14.845 171 HB2 ARG 22 2HB ARG 22 5.097 -5.673 14.196 172 HB3 ARG 22 1HB ARG 22 5.999 -5.978 15.671 173 HG2 ARG 22 2HG ARG 22 8.082 -5.973 14.394 174 HG3 ARG 22 1HG ARG 22 7.169 -5.656 12.917 175 HD2 ARG 22 2HD ARG 22 6.311 -3.582 13.953 176 HD3 ARG 22 1HD ARG 22 7.348 -3.891 15.344 177 HE ARG 22 HE ARG 22 9.051 -3.942 13.229 178 HH11 ARG 22 1HH1 ARG 22 6.738 -1.620 14.477 179 HH12 ARG 22 2HH1 ARG 22 7.589 -0.247 13.855 180 HH21 ARG 22 1HH2 ARG 22 10.178 -2.122 12.406 181 HH22 ARG 22 2HH2 ARG 22 9.532 -0.535 12.658 182 H ARG 23 HN ARG 23 3.717 -8.034 13.140 183 HA ARG 23 HA ARG 23 2.455 -9.625 15.193 184 HB2 ARG 23 2HB ARG 23 1.938 -7.259 15.827 185 HB3 ARG 23 1HB ARG 23 1.160 -7.052 14.267 186 HG2 ARG 23 2HG ARG 23 -0.514 -7.428 15.939 187 HG3 ARG 23 1HG ARG 23 -0.446 -8.834 14.877 188 HD2 ARG 23 2HD ARG 23 0.860 -10.046 16.517 189 HD3 ARG 23 1HD ARG 23 0.915 -8.627 17.561 190 HE ARG 23 HE ARG 23 -1.756 -9.450 16.950 191 HH11 ARG 23 1HH1 ARG 23 0.980 -10.062 19.058 192 HH12 ARG 23 2HH1 ARG 23 0.020 -10.723 20.333 193 HH21 ARG 23 1HH2 ARG 23 -3.036 -10.338 18.632 194 HH22 ARG 23 2HH2 ARG 23 -2.285 -10.882 20.089 195 HA PRO 24 HA PRO 24 1.372 -10.869 10.929 196 HB2 PRO 24 2HB PRO 24 1.707 -13.600 11.773 197 HB3 PRO 24 1HB PRO 24 2.724 -12.667 10.676 198 HG2 PRO 24 2HG PRO 24 3.517 -13.524 13.170 199 HG3 PRO 24 1HG PRO 24 4.221 -12.138 12.319 200 HD2 PRO 24 2HD PRO 24 2.171 -12.192 14.495 201 HD3 PRO 24 1HD PRO 24 3.530 -11.072 14.248 202 H SER 25 HN SER 25 -0.678 -10.081 12.459 203 HA SER 25 HA SER 25 -2.598 -12.277 12.161 204 HB2 SER 25 2HB SER 25 -2.444 -10.427 14.553 205 HB3 SER 25 1HB SER 25 -3.718 -11.611 14.257 206 HG SER 25 HG SER 25 -2.058 -13.226 14.280 207 H SER 26 HN SER 26 -4.278 -11.662 10.939 208 HA SER 26 HA SER 26 -4.898 -8.798 10.811 209 HB2 SER 26 2HB SER 26 -4.874 -10.736 8.494 210 HB3 SER 26 1HB SER 26 -5.275 -9.017 8.416 211 H TRP 27 HN TRP 27 -7.090 -8.558 9.523 212 HA TRP 27 HA TRP 27 -9.076 -9.664 11.194 213 HB2 TRP 27 2HB TRP 27 -10.694 -8.453 9.776 214 HB3 TRP 27 1HB TRP 27 -9.345 -7.439 10.263 215 HD1 TRP 27 1HD TRP 27 -7.291 -7.417 8.179 216 HE1 TRP 27 1HE TRP 27 -7.701 -6.966 5.685 217 HE3 TRP 27 3HE TRP 27 -12.281 -8.513 7.969 218 HZ2 TRP 27 2HZ TRP 27 -9.849 -7.049 3.870 219 HZ3 TRP 27 3HZ TRP 27 -13.438 -8.293 5.808 220 HH2 TRP 27 2HH TRP 27 -12.248 -7.576 3.803 221 H ARG 28 HN ARG 28 -7.937 -10.602 8.012 222 HA ARG 28 HA ARG 28 -10.103 -12.515 7.697 223 HB2 ARG 28 2HB ARG 28 -7.619 -12.041 6.040 224 HB3 ARG 28 1HB ARG 28 -8.866 -13.210 5.651 225 HG2 ARG 28 2HG ARG 28 -10.494 -11.428 5.404 226 HG3 ARG 28 1HG ARG 28 -9.269 -10.234 5.842 227 HD2 ARG 28 2HD ARG 28 -9.594 -10.369 3.413 228 HD3 ARG 28 1HD ARG 28 -7.958 -10.824 3.886 229 HE ARG 28 HE ARG 28 -9.024 -13.214 3.760 230 HH11 ARG 28 1HH1 ARG 28 -9.535 -10.522 1.569 231 HH12 ARG 28 2HH1 ARG 28 -9.868 -11.540 0.208 232 HH21 ARG 28 1HH2 ARG 28 -9.452 -14.560 1.934 233 HH22 ARG 28 2HH2 ARG 28 -9.814 -13.824 0.410 234 H GLN 29 HN GLN 29 -6.569 -12.751 7.758 235 HA GLN 29 HA GLN 29 -6.873 -15.364 9.036 236 HB2 GLN 29 2HB GLN 29 -4.437 -15.644 8.140 237 HB3 GLN 29 1HB GLN 29 -5.805 -15.885 7.064 238 HG2 GLN 29 2HG GLN 29 -5.509 -13.585 6.229 239 HG3 GLN 29 1HG GLN 29 -4.091 -13.420 7.263 240 HE21 GLN 29 1HE2 GLN 29 -3.166 -16.108 6.873 241 HE22 GLN 29 2HE2 GLN 29 -2.552 -16.201 5.261 242 H GLU 30 HN GLU 30 -6.101 -15.643 10.985 243 HA GLU 30 HA GLU 30 -4.924 -13.384 12.332 244 HB2 GLU 30 2HB GLU 30 -6.718 -14.881 13.303 245 HB3 GLU 30 1HB GLU 30 -5.484 -16.117 13.476 246 HG2 GLU 30 2HG GLU 30 -4.238 -14.719 14.993 247 HG3 GLU 30 1HG GLU 30 -5.367 -13.392 14.745 248 H LYS 31 HN LYS 31 -3.787 -16.123 10.707 249 HA LYS 31 HA LYS 31 -1.125 -15.670 11.860 250 HB2 LYS 31 2HB LYS 31 -0.552 -17.999 11.471 251 HB3 LYS 31 1HB LYS 31 -1.980 -17.909 12.490 252 HG2 LYS 31 2HG LYS 31 -3.396 -18.488 10.635 253 HG3 LYS 31 1HG LYS 31 -2.028 -18.424 9.523 254 HD2 LYS 31 2HD LYS 31 -0.969 -20.260 10.813 255 HD3 LYS 31 1HD LYS 31 -2.432 -20.366 11.795 256 HE2 LYS 31 2HE LYS 31 -3.735 -20.879 9.785 257 HE3 LYS 31 1HE LYS 31 -2.274 -20.762 8.809 258 HZ1 LYS 31 3HZ LYS 31 -2.774 -23.052 9.299 259 HZ2 LYS 31 1HZ LYS 31 -2.780 -22.743 10.959 260 HZ3 LYS 31 2HZ LYS 31 -1.347 -22.610 10.084 261 H ILE 32 HN ILE 32 0.537 -15.400 10.423 262 HA ILE 32 HA ILE 32 -0.277 -15.312 7.598 263 HB ILE 32 HB ILE 32 1.848 -13.620 8.934 264 HG12 ILE 32 2HG1 ILE 32 -0.423 -12.962 9.637 265 HG13 ILE 32 1HG1 ILE 32 0.317 -11.730 8.621 266 HG21 ILE 32 1HG2 ILE 32 0.737 -13.524 6.134 267 HG22 ILE 32 2HG2 ILE 32 2.344 -14.084 6.599 268 HG23 ILE 32 3HG2 ILE 32 1.903 -12.391 6.818 269 HD11 ILE 32 3HD1 ILE 32 -2.017 -12.029 8.062 270 HD12 ILE 32 1HD1 ILE 32 -1.750 -13.746 7.760 271 HD13 ILE 32 2HD1 ILE 32 -0.998 -12.540 6.718 272 H THR 33 HN THR 33 0.426 -17.184 6.777 273 HA THR 33 HA THR 33 2.974 -18.303 7.498 274 HB THR 33 HB THR 33 2.416 -20.005 5.734 275 HG1 THR 33 1HG THR 33 0.854 -19.587 4.384 276 HG21 THR 33 3HG2 THR 33 0.533 -21.006 6.961 277 HG22 THR 33 1HG2 THR 33 0.263 -19.470 7.786 278 HG23 THR 33 2HG2 THR 33 1.755 -20.367 8.059 279 H ARG 34 HN ARG 34 1.537 -16.689 4.726 280 HA ARG 34 HA ARG 34 3.552 -16.899 2.853 281 HB2 ARG 34 2HB ARG 34 2.659 -14.591 2.065 282 HB3 ARG 34 1HB ARG 34 1.595 -15.988 2.020 283 HG2 ARG 34 2HG ARG 34 0.485 -15.278 4.029 284 HG3 ARG 34 1HG ARG 34 1.643 -13.966 4.248 285 HD2 ARG 34 2HD ARG 34 0.783 -12.744 2.466 286 HD3 ARG 34 1HD ARG 34 0.004 -14.155 1.752 287 HE ARG 34 HE ARG 34 -1.687 -14.026 3.422 288 HH11 ARG 34 1HH1 ARG 34 0.502 -11.259 3.501 289 HH12 ARG 34 2HH1 ARG 34 -0.679 -10.220 4.239 290 HH21 ARG 34 1HH2 ARG 34 -3.190 -12.624 4.414 291 HH22 ARG 34 2HH2 ARG 34 -2.752 -10.976 4.771 292 H THR 35 HN THR 35 5.578 -16.358 2.891 293 HA THR 35 HA THR 35 6.569 -14.452 4.822 294 HB THR 35 HB THR 35 7.820 -16.547 4.384 295 HG1 THR 35 1HG THR 35 9.872 -15.547 4.220 296 HG21 THR 35 3HG2 THR 35 9.121 -16.777 2.302 297 HG22 THR 35 1HG2 THR 35 8.318 -15.345 1.657 298 HG23 THR 35 2HG2 THR 35 7.384 -16.800 2.003 299 H LYS 36 HN LYS 36 8.536 -13.077 3.776 300 HA LYS 36 HA LYS 36 7.301 -10.942 2.444 301 HB2 LYS 36 2HB LYS 36 9.334 -10.757 3.870 302 HB3 LYS 36 1HB LYS 36 10.265 -11.539 2.608 303 HG2 LYS 36 2HG LYS 36 8.754 -9.034 1.986 304 HG3 LYS 36 1HG LYS 36 10.279 -8.935 2.860 305 HD2 LYS 36 2HD LYS 36 9.940 -10.330 0.199 306 HD3 LYS 36 1HD LYS 36 10.483 -8.660 0.374 307 HE2 LYS 36 2HE LYS 36 12.384 -9.454 1.731 308 HE3 LYS 36 1HE LYS 36 11.850 -11.113 1.484 309 HZ1 LYS 36 3HZ LYS 36 12.622 -9.256 -0.701 310 HZ2 LYS 36 1HZ LYS 36 12.232 -10.902 -0.857 311 HZ3 LYS 36 2HZ LYS 36 13.635 -10.431 -0.034 312 H GLU 37 HN GLU 37 9.319 -13.563 1.210 313 HA GLU 37 HA GLU 37 9.570 -12.639 -1.425 314 HB2 GLU 37 2HB GLU 37 9.573 -15.444 -0.319 315 HB3 GLU 37 1HB GLU 37 9.984 -15.048 -1.981 316 HG2 GLU 37 2HG GLU 37 11.416 -13.968 0.431 317 HG3 GLU 37 1HG GLU 37 11.944 -15.359 -0.513 318 H GLU 38 HN GLU 38 7.155 -14.757 0.048 319 HA GLU 38 HA GLU 38 5.672 -15.203 -2.303 320 HB2 GLU 38 2HB GLU 38 4.782 -15.292 0.584 321 HB3 GLU 38 1HB GLU 38 3.865 -15.928 -0.775 322 HG2 GLU 38 2HG GLU 38 5.624 -17.538 -1.231 323 HG3 GLU 38 1HG GLU 38 6.586 -16.881 0.092 324 H ALA 39 HN ALA 39 5.433 -12.804 0.270 325 HA ALA 39 HA ALA 39 3.066 -11.556 -0.627 326 HB1 ALA 39 1HB ALA 39 3.676 -9.729 0.862 327 HB2 ALA 39 2HB ALA 39 5.311 -10.374 1.005 328 HB3 ALA 39 3HB ALA 39 3.944 -11.286 1.648 329 H LEU 40 HN LEU 40 6.459 -11.066 -1.402 330 HA LEU 40 HA LEU 40 6.258 -8.640 -2.782 331 HB2 LEU 40 2HB LEU 40 8.364 -9.837 -2.061 332 HB3 LEU 40 1HB LEU 40 8.137 -10.930 -3.406 333 HG LEU 40 HG LEU 40 9.850 -9.075 -3.699 334 HD11 LEU 40 1HD1 LEU 40 7.644 -9.253 -5.740 335 HD12 LEU 40 2HD1 LEU 40 9.008 -10.359 -5.584 336 HD13 LEU 40 3HD1 LEU 40 9.285 -8.677 -6.031 337 HD21 LEU 40 3HD2 LEU 40 9.047 -6.878 -4.323 338 HD22 LEU 40 1HD2 LEU 40 8.509 -7.280 -2.693 339 HD23 LEU 40 2HD2 LEU 40 7.381 -7.379 -4.044 340 H GLU 41 HN GLU 41 5.935 -11.978 -3.901 341 HA GLU 41 HA GLU 41 5.422 -11.329 -6.609 342 HB2 GLU 41 2HB GLU 41 4.609 -13.781 -5.051 343 HB3 GLU 41 1HB GLU 41 4.615 -13.634 -6.802 344 HG2 GLU 41 2HG GLU 41 7.038 -13.310 -6.756 345 HG3 GLU 41 1HG GLU 41 7.019 -13.493 -5.003 346 H LEU 42 HN LEU 42 3.376 -11.761 -3.777 347 HA LEU 42 HA LEU 42 0.888 -11.689 -5.086 348 HB2 LEU 42 2HB LEU 42 1.626 -10.777 -2.302 349 HB3 LEU 42 1HB LEU 42 -0.016 -10.935 -2.886 350 HG LEU 42 HG LEU 42 1.963 -13.191 -2.559 351 HD11 LEU 42 1HD1 LEU 42 -0.515 -12.486 -1.000 352 HD12 LEU 42 2HD1 LEU 42 1.147 -12.329 -0.435 353 HD13 LEU 42 3HD1 LEU 42 0.477 -13.926 -0.768 354 HD21 LEU 42 3HD2 LEU 42 0.476 -13.621 -4.428 355 HD22 LEU 42 1HD2 LEU 42 -0.925 -13.217 -3.436 356 HD23 LEU 42 2HD2 LEU 42 0.040 -14.644 -3.061 357 H ILE 43 HN ILE 43 2.947 -9.128 -3.780 358 HA ILE 43 HA ILE 43 1.329 -6.914 -4.232 359 HB ILE 43 HB ILE 43 4.334 -7.190 -4.446 360 HG12 ILE 43 2HG1 ILE 43 3.391 -7.612 -2.225 361 HG13 ILE 43 1HG1 ILE 43 4.345 -6.134 -2.241 362 HG21 ILE 43 1HG2 ILE 43 2.718 -4.641 -4.411 363 HG22 ILE 43 2HG2 ILE 43 3.655 -5.265 -5.768 364 HG23 ILE 43 3HG2 ILE 43 4.476 -4.746 -4.296 365 HD11 ILE 43 3HD1 ILE 43 2.359 -5.789 -0.947 366 HD12 ILE 43 1HD1 ILE 43 1.343 -6.346 -2.277 367 HD13 ILE 43 2HD1 ILE 43 2.248 -4.841 -2.428 368 H ASN 44 HN ASN 44 3.766 -8.298 -6.408 369 HA ASN 44 HA ASN 44 3.192 -6.665 -8.615 370 HB2 ASN 44 2HB ASN 44 4.470 -9.384 -8.374 371 HB3 ASN 44 1HB ASN 44 4.239 -8.611 -9.939 372 HD21 ASN 44 1HD2 ASN 44 5.940 -8.477 -6.892 373 HD22 ASN 44 2HD2 ASN 44 7.131 -7.331 -7.398 374 H GLY 45 HN GLY 45 1.866 -9.748 -7.571 375 HA2 GLY 45 2HA GLY 45 0.271 -10.307 -9.803 376 HA3 GLY 45 1HA GLY 45 -0.051 -10.853 -8.163 377 H TYR 46 HN TYR 46 -0.515 -8.518 -6.828 378 HA TYR 46 HA TYR 46 -3.170 -7.897 -7.516 379 HB2 TYR 46 2HB TYR 46 -1.256 -6.288 -5.800 380 HB3 TYR 46 1HB TYR 46 -2.998 -6.072 -5.853 381 HD1 TYR 46 2HD TYR 46 -3.802 -9.003 -5.834 382 HD2 TYR 46 1HD TYR 46 -0.934 -6.845 -3.544 383 HE1 TYR 46 2HE TYR 46 -4.039 -10.632 -4.007 384 HE2 TYR 46 1HE TYR 46 -1.164 -8.470 -1.714 385 HH TYR 46 HH TYR 46 -2.825 -10.091 -0.888 386 H ILE 47 HN ILE 47 -0.176 -6.031 -7.909 387 HA ILE 47 HA ILE 47 -1.254 -3.778 -9.148 388 HB ILE 47 HB ILE 47 1.481 -5.024 -9.504 389 HG12 ILE 47 2HG1 ILE 47 0.539 -2.723 -7.779 390 HG13 ILE 47 1HG1 ILE 47 0.929 -4.339 -7.203 391 HG21 ILE 47 1HG2 ILE 47 0.512 -2.285 -10.307 392 HG22 ILE 47 2HG2 ILE 47 1.021 -3.579 -11.392 393 HG23 ILE 47 3HG2 ILE 47 2.195 -2.810 -10.320 394 HD11 ILE 47 3HD1 ILE 47 3.248 -4.025 -7.903 395 HD12 ILE 47 1HD1 ILE 47 2.736 -2.783 -6.760 396 HD13 ILE 47 2HD1 ILE 47 2.852 -2.404 -8.478 397 H GLN 48 HN GLN 48 0.081 -6.719 -10.649 398 HA GLN 48 HA GLN 48 -0.364 -5.954 -13.306 399 HB2 GLN 48 2HB GLN 48 0.328 -8.414 -11.898 400 HB3 GLN 48 1HB GLN 48 -0.643 -8.704 -13.333 401 HG2 GLN 48 2HG GLN 48 1.800 -8.802 -13.731 402 HG3 GLN 48 1HG GLN 48 0.959 -7.618 -14.728 403 HE21 GLN 48 1HE2 GLN 48 1.401 -5.443 -14.462 404 HE22 GLN 48 2HE2 GLN 48 2.703 -4.872 -13.480 405 H LYS 49 HN LYS 49 -2.483 -7.580 -10.986 406 HA LYS 49 HA LYS 49 -4.512 -8.203 -12.863 407 HB2 LYS 49 2HB LYS 49 -4.206 -9.224 -10.562 408 HB3 LYS 49 1HB LYS 49 -4.929 -7.761 -9.910 409 HG2 LYS 49 2HG LYS 49 -6.986 -8.188 -11.021 410 HG3 LYS 49 1HG LYS 49 -6.277 -9.515 -11.940 411 HD2 LYS 49 2HD LYS 49 -5.830 -10.626 -9.702 412 HD3 LYS 49 1HD LYS 49 -6.889 -9.399 -9.000 413 HE2 LYS 49 2HE LYS 49 -8.145 -11.423 -9.472 414 HE3 LYS 49 1HE LYS 49 -8.690 -10.108 -10.510 415 HZ1 LYS 49 3HZ LYS 49 -8.433 -12.200 -11.722 416 HZ2 LYS 49 1HZ LYS 49 -6.797 -12.249 -11.320 417 HZ3 LYS 49 2HZ LYS 49 -7.378 -11.022 -12.327 418 H ILE 50 HN ILE 50 -3.891 -5.424 -10.814 419 HA ILE 50 HA ILE 50 -6.300 -4.039 -11.324 420 HB ILE 50 HB ILE 50 -3.548 -2.952 -10.657 421 HG12 ILE 50 2HG1 ILE 50 -5.935 -3.431 -8.861 422 HG13 ILE 50 1HG1 ILE 50 -4.544 -4.503 -8.981 423 HG21 ILE 50 1HG2 ILE 50 -4.720 -0.915 -9.938 424 HG22 ILE 50 2HG2 ILE 50 -6.236 -1.586 -10.540 425 HG23 ILE 50 3HG2 ILE 50 -4.924 -1.219 -11.663 426 HD11 ILE 50 3HD1 ILE 50 -4.406 -3.077 -7.021 427 HD12 ILE 50 1HD1 ILE 50 -4.492 -1.645 -8.048 428 HD13 ILE 50 2HD1 ILE 50 -3.101 -2.723 -8.154 429 H LYS 51 HN LYS 51 -3.107 -3.947 -12.856 430 HA LYS 51 HA LYS 51 -3.812 -2.052 -14.844 431 HB2 LYS 51 2HB LYS 51 -1.554 -4.058 -14.770 432 HB3 LYS 51 1HB LYS 51 -1.705 -2.768 -15.955 433 HG2 LYS 51 2HG LYS 51 -1.603 -1.115 -14.132 434 HG3 LYS 51 1HG LYS 51 -1.367 -2.430 -12.982 435 HD2 LYS 51 2HD LYS 51 0.697 -3.066 -14.122 436 HD3 LYS 51 1HD LYS 51 0.453 -1.774 -15.299 437 HE2 LYS 51 2HE LYS 51 0.599 -0.115 -13.507 438 HE3 LYS 51 1HE LYS 51 0.832 -1.402 -12.328 439 HZ1 LYS 51 3HZ LYS 51 2.878 -2.016 -13.557 440 HZ2 LYS 51 1HZ LYS 51 2.941 -0.464 -12.885 441 HZ3 LYS 51 2HZ LYS 51 2.665 -0.663 -14.539 442 H SER 52 HN SER 52 -4.527 -5.359 -14.525 443 HA SER 52 HA SER 52 -4.816 -5.895 -17.339 444 HB2 SER 52 2HB SER 52 -5.841 -7.428 -14.936 445 HB3 SER 52 1HB SER 52 -5.884 -8.003 -16.602 446 HG SER 52 HG SER 52 -3.465 -7.209 -15.367 447 H GLY 53 HN GLY 53 -6.586 -4.183 -15.046 448 HA2 GLY 53 2HA GLY 53 -8.585 -3.056 -15.311 449 HA3 GLY 53 1HA GLY 53 -8.790 -3.849 -16.867 450 H GLU 54 HN GLU 54 -8.107 -5.884 -14.219 451 HA GLU 54 HA GLU 54 -10.788 -6.994 -14.378 452 HB2 GLU 54 2HB GLU 54 -8.372 -7.948 -12.827 453 HB3 GLU 54 1HB GLU 54 -9.887 -8.818 -12.996 454 HG2 GLU 54 2HG GLU 54 -9.494 -8.932 -15.435 455 HG3 GLU 54 1HG GLU 54 -7.922 -8.175 -15.178 456 H GLU 55 HN GLU 55 -8.591 -6.342 -11.676 457 HA GLU 55 HA GLU 55 -10.912 -5.495 -10.095 458 HB2 GLU 55 2HB GLU 55 -8.228 -6.578 -9.226 459 HB3 GLU 55 1HB GLU 55 -9.446 -5.957 -8.123 460 HG2 GLU 55 2HG GLU 55 -9.754 -8.331 -9.943 461 HG3 GLU 55 1HG GLU 55 -9.469 -8.384 -8.204 462 H ASP 56 HN ASP 56 -10.784 -3.591 -8.916 463 HA ASP 56 HA ASP 56 -8.781 -1.703 -9.890 464 HB2 ASP 56 2HB ASP 56 -11.250 -1.241 -8.200 465 HB3 ASP 56 1HB ASP 56 -10.185 0.019 -8.808 466 H PHE 57 HN PHE 57 -7.668 -0.319 -8.364 467 HA PHE 57 HA PHE 57 -6.306 -1.709 -6.389 468 HB2 PHE 57 2HB PHE 57 -5.526 0.405 -7.424 469 HB3 PHE 57 1HB PHE 57 -6.747 1.282 -6.511 470 HD1 PHE 57 1HD PHE 57 -3.665 -0.718 -6.228 471 HD2 PHE 57 2HD PHE 57 -6.388 1.881 -4.249 472 HE1 PHE 57 1HE PHE 57 -2.083 -0.485 -4.366 473 HE2 PHE 57 2HE PHE 57 -4.807 2.119 -2.382 474 HZ PHE 57 HZ PHE 57 -2.652 0.936 -2.441 475 H GLU 58 HN GLU 58 -9.209 0.223 -6.161 476 HA GLU 58 HA GLU 58 -9.438 0.415 -3.379 477 HB2 GLU 58 2HB GLU 58 -11.687 0.190 -5.373 478 HB3 GLU 58 1HB GLU 58 -11.775 0.894 -3.766 479 HG2 GLU 58 2HG GLU 58 -10.258 2.670 -4.453 480 HG3 GLU 58 1HG GLU 58 -10.150 1.957 -6.064 481 H SER 59 HN SER 59 -10.288 -2.161 -5.612 482 HA SER 59 HA SER 59 -11.867 -3.664 -3.791 483 HB2 SER 59 2HB SER 59 -12.027 -3.925 -6.252 484 HB3 SER 59 1HB SER 59 -10.391 -4.575 -6.281 485 HG SER 59 HG SER 59 -11.707 -6.321 -6.249 486 H LEU 60 HN LEU 60 -8.497 -3.789 -4.828 487 HA LEU 60 HA LEU 60 -7.773 -6.024 -3.264 488 HB2 LEU 60 2HB LEU 60 -6.156 -3.792 -4.478 489 HB3 LEU 60 1HB LEU 60 -5.414 -5.058 -3.530 490 HG LEU 60 HG LEU 60 -5.111 -5.569 -5.839 491 HD11 LEU 60 1HD1 LEU 60 -7.281 -7.338 -4.743 492 HD12 LEU 60 2HD1 LEU 60 -5.559 -7.462 -4.382 493 HD13 LEU 60 3HD1 LEU 60 -6.138 -7.753 -6.021 494 HD21 LEU 60 3HD2 LEU 60 -6.960 -5.891 -7.396 495 HD22 LEU 60 1HD2 LEU 60 -6.902 -4.236 -6.790 496 HD23 LEU 60 2HD2 LEU 60 -8.097 -5.368 -6.154 497 H ALA 61 HN ALA 61 -7.573 -2.547 -2.691 498 HA ALA 61 HA ALA 61 -6.246 -2.792 -0.195 499 HB1 ALA 61 1HB ALA 61 -7.830 -0.426 -1.154 500 HB2 ALA 61 2HB ALA 61 -6.190 -0.796 -1.686 501 HB3 ALA 61 3HB ALA 61 -6.504 -0.448 0.013 502 H SER 62 HN SER 62 -9.547 -3.180 -1.040 503 HA SER 62 HA SER 62 -10.397 -2.586 1.695 504 HB2 SER 62 2HB SER 62 -12.053 -3.207 -0.751 505 HB3 SER 62 1HB SER 62 -12.690 -2.780 0.838 506 HG SER 62 HG SER 62 -11.240 -1.195 -0.991 507 H GLN 63 HN GLN 63 -9.799 -5.314 -0.370 508 HA GLN 63 HA GLN 63 -11.076 -7.036 1.660 509 HB2 GLN 63 2HB GLN 63 -10.859 -7.532 -1.303 510 HB3 GLN 63 1HB GLN 63 -11.498 -8.679 -0.135 511 HG2 GLN 63 2HG GLN 63 -13.280 -7.095 0.430 512 HG3 GLN 63 1HG GLN 63 -12.642 -5.967 -0.765 513 HE21 GLN 63 1HE2 GLN 63 -11.960 -8.107 -2.640 514 HE22 GLN 63 2HE2 GLN 63 -13.456 -8.632 -3.323 515 H PHE 64 HN PHE 64 -8.220 -6.513 -0.273 516 HA PHE 64 HA PHE 64 -7.120 -9.057 0.693 517 HB2 PHE 64 2HB PHE 64 -6.310 -7.318 -1.635 518 HB3 PHE 64 1HB PHE 64 -5.383 -8.710 -1.091 519 HD1 PHE 64 2HD PHE 64 -8.657 -7.666 -2.472 520 HD2 PHE 64 1HD PHE 64 -5.979 -10.890 -1.737 521 HE1 PHE 64 2HE PHE 64 -10.042 -9.132 -3.880 522 HE2 PHE 64 1HE PHE 64 -7.358 -12.360 -3.143 523 HZ PHE 64 HZ PHE 64 -9.393 -11.483 -4.217 524 H SER 65 HN SER 65 -7.177 -6.019 1.740 525 HA SER 65 HA SER 65 -4.335 -5.797 2.304 526 HB2 SER 65 2HB SER 65 -5.772 -3.778 1.700 527 HB3 SER 65 1HB SER 65 -6.516 -3.953 3.288 528 HG SER 65 HG SER 65 -3.770 -3.999 3.346 529 H ASP 66 HN ASP 66 -3.437 -6.055 4.292 530 HA ASP 66 HA ASP 66 -5.024 -7.552 6.212 531 HB2 ASP 66 2HB ASP 66 -2.073 -6.897 6.119 532 HB3 ASP 66 1HB ASP 66 -2.835 -7.876 7.366 533 H SER 67 HN SER 67 -4.522 -4.405 5.641 534 HA SER 67 HA SER 67 -4.084 -3.538 8.369 535 HB2 SER 67 2HB SER 67 -3.031 -2.307 6.532 536 HB3 SER 67 1HB SER 67 -4.610 -1.970 5.833 537 HG SER 67 HG SER 67 -3.566 -1.029 8.306 538 H SER 68 HN SER 68 -5.586 -2.207 9.512 539 HA SER 68 HA SER 68 -8.308 -3.024 9.221 540 HB2 SER 68 2HB SER 68 -7.120 -0.881 10.999 541 HB3 SER 68 1HB SER 68 -8.698 -1.644 11.188 542 HG SER 68 HG SER 68 -7.747 -3.521 11.777 543 H SER 69 HN SER 69 -6.418 -0.707 7.752 544 HA SER 69 HA SER 69 -8.329 1.383 7.441 545 HB2 SER 69 2HB SER 69 -6.734 2.198 5.695 546 HB3 SER 69 1HB SER 69 -5.987 1.913 7.268 547 HG SER 69 HG SER 69 -4.979 0.151 6.495 548 H ALA 70 HN ALA 70 -8.172 -1.697 6.205 549 HA ALA 70 HA ALA 70 -8.998 -1.418 3.544 550 HB1 ALA 70 1HB ALA 70 -9.864 -3.697 3.763 551 HB2 ALA 70 2HB ALA 70 -9.733 -3.586 5.518 552 HB3 ALA 70 3HB ALA 70 -8.279 -3.555 4.523 553 H LYS 71 HN LYS 71 -10.678 -1.101 6.563 554 HA LYS 71 HA LYS 71 -13.327 -1.166 5.560 555 HB2 LYS 71 2HB LYS 71 -12.900 -1.545 7.909 556 HB3 LYS 71 1HB LYS 71 -12.143 0.029 8.074 557 HG2 LYS 71 2HG LYS 71 -14.396 -0.049 9.034 558 HG3 LYS 71 1HG LYS 71 -14.262 1.129 7.730 559 HD2 LYS 71 2HD LYS 71 -15.311 -0.449 6.191 560 HD3 LYS 71 1HD LYS 71 -15.413 -1.649 7.478 561 HE2 LYS 71 2HE LYS 71 -16.735 1.060 7.521 562 HE3 LYS 71 1HE LYS 71 -17.543 -0.448 7.101 563 HZ1 LYS 71 3HZ LYS 71 -17.940 0.161 9.398 564 HZ2 LYS 71 1HZ LYS 71 -16.281 0.165 9.721 565 HZ3 LYS 71 2HZ LYS 71 -17.063 -1.278 9.320 566 H ALA 72 HN ALA 72 -10.857 1.257 5.686 567 HA ALA 72 HA ALA 72 -12.678 3.438 5.075 568 HB1 ALA 72 1HB ALA 72 -10.762 3.869 6.534 569 HB2 ALA 72 2HB ALA 72 -10.650 4.823 5.056 570 HB3 ALA 72 3HB ALA 72 -9.662 3.376 5.247 571 H ARG 73 HN ARG 73 -11.992 0.986 3.326 572 HA ARG 73 HA ARG 73 -11.996 0.505 1.121 573 HB2 ARG 73 2HB ARG 73 -13.576 2.471 1.023 574 HB3 ARG 73 1HB ARG 73 -12.201 3.486 0.632 575 HG2 ARG 73 2HG ARG 73 -11.894 2.403 -1.461 576 HG3 ARG 73 1HG ARG 73 -13.041 1.129 -1.038 577 HD2 ARG 73 2HD ARG 73 -14.857 2.724 -1.012 578 HD3 ARG 73 1HD ARG 73 -13.736 4.049 -1.308 579 HE ARG 73 HE ARG 73 -13.336 3.100 -3.515 580 HH11 ARG 73 1HH1 ARG 73 -16.188 1.942 -1.804 581 HH12 ARG 73 2HH1 ARG 73 -17.037 1.534 -3.252 582 HH21 ARG 73 1HH2 ARG 73 -14.454 2.542 -5.414 583 HH22 ARG 73 2HH2 ARG 73 -16.043 1.859 -5.320 584 H GLY 74 HN GLY 74 -9.584 1.434 2.727 585 HA2 GLY 74 2HA GLY 74 -7.319 1.358 2.375 586 HA3 GLY 74 1HA GLY 74 -7.666 0.917 0.712 587 H ASP 75 HN ASP 75 -8.872 3.877 2.115 588 HA ASP 75 HA ASP 75 -6.869 5.349 0.545 589 HB2 ASP 75 2HB ASP 75 -9.043 5.382 -0.600 590 HB3 ASP 75 1HB ASP 75 -9.790 6.059 0.845 591 H LEU 76 HN LEU 76 -5.909 7.056 1.496 592 HA LEU 76 HA LEU 76 -6.432 7.436 4.344 593 HB2 LEU 76 2HB LEU 76 -4.195 8.297 2.525 594 HB3 LEU 76 1HB LEU 76 -4.328 8.856 4.179 595 HG LEU 76 HG LEU 76 -4.119 5.942 3.434 596 HD11 LEU 76 1HD1 LEU 76 -1.957 7.876 4.249 597 HD12 LEU 76 2HD1 LEU 76 -2.120 7.085 2.682 598 HD13 LEU 76 3HD1 LEU 76 -1.766 6.129 4.122 599 HD21 LEU 76 3HD2 LEU 76 -3.510 5.677 5.784 600 HD22 LEU 76 1HD2 LEU 76 -5.105 6.409 5.627 601 HD23 LEU 76 2HD2 LEU 76 -3.716 7.410 6.041 602 H GLY 77 HN GLY 77 -7.310 8.876 1.450 603 HA2 GLY 77 2HA GLY 77 -8.470 10.818 1.051 604 HA3 GLY 77 1HA GLY 77 -8.391 11.169 2.774 605 H ALA 78 HN ALA 78 -7.940 13.363 2.170 606 HA ALA 78 HA ALA 78 -5.386 13.861 0.887 607 HB1 ALA 78 1HB ALA 78 -6.005 16.212 0.995 608 HB2 ALA 78 2HB ALA 78 -7.416 15.811 1.974 609 HB3 ALA 78 3HB ALA 78 -7.318 15.257 0.302 610 H PHE 79 HN PHE 79 -3.600 13.887 2.024 611 HA PHE 79 HA PHE 79 -3.722 14.801 4.817 612 HB2 PHE 79 2HB PHE 79 -1.764 13.338 5.277 613 HB3 PHE 79 1HB PHE 79 -3.185 12.429 4.787 614 HD1 PHE 79 2HD PHE 79 -3.274 11.382 2.560 615 HD2 PHE 79 1HD PHE 79 0.232 13.339 3.971 616 HE1 PHE 79 2HE PHE 79 -1.950 10.256 0.824 617 HE2 PHE 79 1HE PHE 79 1.563 12.212 2.237 618 HZ PHE 79 HZ PHE 79 0.472 10.668 0.661 619 H SER 80 HN SER 80 -1.531 15.662 5.555 620 HA SER 80 HA SER 80 -0.712 17.537 3.480 621 HB2 SER 80 2HB SER 80 -1.537 18.327 5.749 622 HB3 SER 80 1HB SER 80 -0.030 17.699 6.414 623 HG SER 80 HG SER 80 0.045 19.431 4.202 624 H ARG 81 HN ARG 81 1.615 18.279 3.681 625 HA ARG 81 HA ARG 81 3.315 16.091 3.086 626 HB2 ARG 81 2HB ARG 81 5.065 17.843 2.851 627 HB3 ARG 81 1HB ARG 81 3.609 18.192 1.931 628 HG2 ARG 81 2HG ARG 81 2.886 19.766 3.649 629 HG3 ARG 81 1HG ARG 81 4.323 19.397 4.600 630 HD2 ARG 81 2HD ARG 81 5.729 20.239 2.772 631 HD3 ARG 81 1HD ARG 81 4.280 20.623 1.845 632 HE ARG 81 HE ARG 81 3.818 22.009 4.057 633 HH11 ARG 81 1HH1 ARG 81 6.767 21.736 2.177 634 HH12 ARG 81 2HH1 ARG 81 7.325 23.320 2.573 635 HH21 ARG 81 1HH2 ARG 81 4.551 24.120 4.587 636 HH22 ARG 81 2HH2 ARG 81 6.058 24.682 3.954 637 H GLY 82 HN GLY 82 4.688 15.000 4.344 638 HA2 GLY 82 2HA GLY 82 6.123 14.551 6.104 639 HA3 GLY 82 1HA GLY 82 5.857 16.179 6.704 640 H GLN 83 HN GLN 83 3.461 13.669 6.043 641 HA GLN 83 HA GLN 83 2.759 13.739 8.910 642 HB2 GLN 83 2HB GLN 83 0.891 13.669 6.542 643 HB3 GLN 83 1HB GLN 83 0.386 13.463 8.212 644 HG2 GLN 83 2HG GLN 83 1.790 15.914 7.187 645 HG3 GLN 83 1HG GLN 83 0.038 15.743 7.258 646 HE21 GLN 83 1HE2 GLN 83 -0.978 15.725 9.240 647 HE22 GLN 83 2HE2 GLN 83 -0.195 16.266 10.688 648 H MET 84 HN MET 84 3.842 11.775 6.450 649 HA MET 84 HA MET 84 2.634 9.415 7.742 650 HB2 MET 84 2HB MET 84 1.701 9.961 5.456 651 HB3 MET 84 1HB MET 84 3.294 9.626 4.802 652 HG2 MET 84 2HG MET 84 1.698 7.756 4.576 653 HG3 MET 84 1HG MET 84 3.160 7.338 5.465 654 HE1 MET 84 3HE MET 84 -0.921 8.136 7.481 655 HE2 MET 84 1HE MET 84 -0.629 8.295 5.750 656 HE3 MET 84 2HE MET 84 0.109 9.434 6.876 657 H GLN 85 HN GLN 85 3.940 7.352 7.094 658 HA GLN 85 HA GLN 85 6.493 7.453 8.172 659 HB2 GLN 85 2HB GLN 85 5.369 5.431 6.224 660 HB3 GLN 85 1HB GLN 85 6.814 5.196 7.194 661 HG2 GLN 85 2HG GLN 85 4.013 5.563 8.234 662 HG3 GLN 85 1HG GLN 85 4.918 4.051 8.169 663 HE21 GLN 85 1HE2 GLN 85 6.605 3.715 9.627 664 HE22 GLN 85 2HE2 GLN 85 6.810 4.699 11.033 665 H LYS 86 HN LYS 86 8.563 7.435 7.308 666 HA LYS 86 HA LYS 86 9.129 9.238 5.330 667 HB2 LYS 86 2HB LYS 86 10.766 8.507 6.988 668 HB3 LYS 86 1HB LYS 86 10.882 6.938 6.207 669 HG2 LYS 86 2HG LYS 86 12.780 8.239 5.570 670 HG3 LYS 86 1HG LYS 86 11.723 8.083 4.167 671 HD2 LYS 86 2HD LYS 86 10.784 10.328 4.702 672 HD3 LYS 86 1HD LYS 86 11.982 10.477 5.987 673 HE2 LYS 86 2HE LYS 86 12.784 11.629 4.029 674 HE3 LYS 86 1HE LYS 86 13.768 10.190 4.289 675 HZ1 LYS 86 3HZ LYS 86 11.529 10.419 2.359 676 HZ2 LYS 86 1HZ LYS 86 12.495 9.052 2.585 677 HZ3 LYS 86 2HZ LYS 86 13.168 10.469 1.957 678 HA PRO 87 HA PRO 87 9.961 5.726 2.023 679 HB2 PRO 87 2HB PRO 87 8.540 3.403 2.402 680 HB3 PRO 87 1HB PRO 87 10.222 3.622 2.890 681 HG2 PRO 87 2HG PRO 87 7.731 3.843 4.534 682 HG3 PRO 87 1HG PRO 87 9.273 3.065 4.939 683 HD2 PRO 87 2HD PRO 87 8.646 5.485 5.891 684 HD3 PRO 87 1HD PRO 87 10.309 5.087 5.409 685 H PHE 88 HN PHE 88 6.881 6.113 3.618 686 HA PHE 88 HA PHE 88 5.338 5.725 1.193 687 HB2 PHE 88 2HB PHE 88 4.573 5.086 3.547 688 HB3 PHE 88 1HB PHE 88 4.376 6.804 3.850 689 HD1 PHE 88 2HD PHE 88 2.785 8.084 2.243 690 HD2 PHE 88 1HD PHE 88 2.836 3.849 2.667 691 HE1 PHE 88 2HE PHE 88 0.508 7.969 1.324 692 HE2 PHE 88 1HE PHE 88 0.556 3.729 1.749 693 HZ PHE 88 HZ PHE 88 -0.610 5.791 1.077 694 H GLU 89 HN GLU 89 6.281 8.318 3.360 695 HA GLU 89 HA GLU 89 4.932 10.488 2.280 696 HB2 GLU 89 2HB GLU 89 6.187 10.444 4.415 697 HB3 GLU 89 1HB GLU 89 7.691 10.413 3.510 698 HG2 GLU 89 2HG GLU 89 7.400 12.625 4.220 699 HG3 GLU 89 1HG GLU 89 6.987 12.611 2.508 700 H ASP 90 HN ASP 90 8.203 9.321 1.576 701 HA ASP 90 HA ASP 90 8.832 11.251 -0.367 702 HB2 ASP 90 2HB ASP 90 10.539 9.910 0.767 703 HB3 ASP 90 1HB ASP 90 9.940 8.460 -0.029 704 H ALA 91 HN ALA 91 7.626 7.936 -0.716 705 HA ALA 91 HA ALA 91 7.662 7.870 -3.519 706 HB1 ALA 91 1HB ALA 91 6.198 5.930 -3.323 707 HB2 ALA 91 2HB ALA 91 5.909 6.320 -1.627 708 HB3 ALA 91 3HB ALA 91 7.524 5.860 -2.163 709 H SER 92 HN SER 92 5.212 9.022 -1.269 710 HA SER 92 HA SER 92 3.053 9.193 -3.033 711 HB2 SER 92 2HB SER 92 3.739 10.913 -0.644 712 HB3 SER 92 1HB SER 92 2.184 10.946 -1.476 713 HG SER 92 HG SER 92 3.368 8.824 -0.025 714 H PHE 93 HN PHE 93 5.477 11.677 -2.228 715 HA PHE 93 HA PHE 93 4.386 13.461 -4.197 716 HB2 PHE 93 2HB PHE 93 6.745 13.634 -2.347 717 HB3 PHE 93 1HB PHE 93 6.467 14.844 -3.597 718 HD1 PHE 93 2HD PHE 93 4.792 13.184 -0.712 719 HD2 PHE 93 1HD PHE 93 5.059 16.634 -3.188 720 HE1 PHE 93 2HE PHE 93 3.206 14.358 0.759 721 HE2 PHE 93 1HE PHE 93 3.473 17.814 -1.722 722 HZ PHE 93 HZ PHE 93 2.545 16.675 0.254 723 H ALA 94 HN ALA 94 6.648 10.929 -4.236 724 HA ALA 94 HA ALA 94 8.184 11.826 -6.475 725 HB1 ALA 94 1HB ALA 94 7.743 9.019 -5.454 726 HB2 ALA 94 2HB ALA 94 9.021 10.112 -4.925 727 HB3 ALA 94 3HB ALA 94 8.994 9.526 -6.589 728 H LEU 95 HN LEU 95 5.192 10.155 -5.993 729 HA LEU 95 HA LEU 95 4.863 9.438 -8.779 730 HB2 LEU 95 2HB LEU 95 2.932 9.370 -6.459 731 HB3 LEU 95 1HB LEU 95 2.606 8.728 -8.053 732 HG LEU 95 HG LEU 95 4.736 7.705 -6.181 733 HD11 LEU 95 1HD1 LEU 95 2.017 6.603 -6.873 734 HD12 LEU 95 2HD1 LEU 95 2.503 7.280 -5.320 735 HD13 LEU 95 3HD1 LEU 95 3.234 5.786 -5.897 736 HD21 LEU 95 3HD2 LEU 95 4.859 5.827 -7.753 737 HD22 LEU 95 1HD2 LEU 95 5.281 7.350 -8.535 738 HD23 LEU 95 2HD2 LEU 95 3.694 6.630 -8.804 739 H ARG 96 HN ARG 96 2.338 10.042 -9.368 740 HA ARG 96 HA ARG 96 1.782 12.815 -8.788 741 HB2 ARG 96 2HB ARG 96 1.601 13.449 -11.156 742 HB3 ARG 96 1HB ARG 96 3.241 12.988 -10.748 743 HG2 ARG 96 2HG ARG 96 2.958 10.857 -11.808 744 HG3 ARG 96 1HG ARG 96 1.251 11.195 -12.107 745 HD2 ARG 96 2HD ARG 96 3.561 12.774 -13.230 746 HD3 ARG 96 1HD ARG 96 2.671 11.523 -14.100 747 HE ARG 96 HE ARG 96 1.189 13.822 -13.044 748 HH11 ARG 96 1HH1 ARG 96 2.518 12.130 -15.821 749 HH12 ARG 96 2HH1 ARG 96 1.538 12.974 -16.967 750 HH21 ARG 96 1HH2 ARG 96 -0.095 14.950 -14.564 751 HH22 ARG 96 2HH2 ARG 96 0.047 14.588 -16.248 752 H THR 97 HN THR 97 -0.298 13.344 -10.312 753 HA THR 97 HA THR 97 -2.401 11.924 -9.213 754 HB THR 97 HB THR 97 -2.432 13.456 -11.816 755 HG1 THR 97 1HG THR 97 -2.501 14.270 -9.088 756 HG21 THR 97 3HG2 THR 97 -4.781 13.900 -11.252 757 HG22 THR 97 1HG2 THR 97 -4.624 12.895 -9.813 758 HG23 THR 97 2HG2 THR 97 -4.480 12.170 -11.413 759 H GLY 98 HN GLY 98 -2.837 9.810 -9.490 760 HA2 GLY 98 2HA GLY 98 -3.960 8.177 -10.790 761 HA3 GLY 98 1HA GLY 98 -3.267 8.886 -12.237 762 H GLU 99 HN GLU 99 -0.727 8.773 -10.230 763 HA GLU 99 HA GLU 99 0.192 6.309 -11.478 764 HB2 GLU 99 2HB GLU 99 1.667 8.478 -10.010 765 HB3 GLU 99 1HB GLU 99 2.434 7.013 -10.608 766 HG2 GLU 99 2HG GLU 99 1.018 9.079 -12.274 767 HG3 GLU 99 1HG GLU 99 2.763 8.872 -12.128 768 H MET 100 HN MET 100 1.199 4.641 -10.384 769 HA MET 100 HA MET 100 0.650 4.474 -7.508 770 HB2 MET 100 2HB MET 100 -1.111 3.273 -8.729 771 HB3 MET 100 1HB MET 100 0.107 2.337 -9.576 772 HG2 MET 100 2HG MET 100 0.796 1.300 -7.498 773 HG3 MET 100 1HG MET 100 -0.360 2.285 -6.604 774 HE1 MET 100 3HE MET 100 -1.556 -0.980 -9.642 775 HE2 MET 100 1HE MET 100 0.106 -0.517 -9.283 776 HE3 MET 100 2HE MET 100 -0.955 0.599 -10.145 777 H SER 101 HN SER 101 2.300 3.720 -6.353 778 HA SER 101 HA SER 101 4.749 2.997 -7.735 779 HB2 SER 101 2HB SER 101 4.795 4.616 -5.838 780 HB3 SER 101 1HB SER 101 4.231 3.340 -4.762 781 HG SER 101 HG SER 101 6.290 2.975 -4.521 782 H GLY 102 HN GLY 102 6.037 1.151 -6.730 783 HA2 GLY 102 2HA GLY 102 4.318 -1.186 -6.751 784 HA3 GLY 102 1HA GLY 102 6.071 -1.177 -6.862 785 HA PRO 103 HA PRO 103 5.338 -2.706 -2.683 786 HB2 PRO 103 2HB PRO 103 7.679 -4.024 -2.435 787 HB3 PRO 103 1HB PRO 103 6.314 -4.678 -3.347 788 HG2 PRO 103 2HG PRO 103 8.778 -3.313 -4.341 789 HG3 PRO 103 1HG PRO 103 7.928 -4.720 -5.005 790 HD2 PRO 103 2HD PRO 103 7.675 -2.175 -5.989 791 HD3 PRO 103 1HD PRO 103 6.422 -3.422 -6.140 792 H VAL 104 HN VAL 104 5.453 -0.981 -1.345 793 HA VAL 104 HA VAL 104 8.090 0.163 -0.766 794 HB VAL 104 HB VAL 104 5.338 1.111 0.088 795 HG11 VAL 104 1HG1 VAL 104 8.042 2.401 0.432 796 HG12 VAL 104 2HG1 VAL 104 7.036 1.725 1.714 797 HG13 VAL 104 3HG1 VAL 104 6.493 3.150 0.826 798 HG21 VAL 104 3HG2 VAL 104 5.701 2.952 -1.493 799 HG22 VAL 104 1HG2 VAL 104 5.695 1.386 -2.306 800 HG23 VAL 104 2HG2 VAL 104 7.220 2.213 -1.996 801 H PHE 105 HN PHE 105 9.113 -1.042 0.701 802 HA PHE 105 HA PHE 105 7.718 -2.616 2.651 803 HB2 PHE 105 2HB PHE 105 10.661 -2.082 2.239 804 HB3 PHE 105 1HB PHE 105 10.019 -3.198 3.438 805 HD1 PHE 105 1HD PHE 105 10.459 -2.575 -0.158 806 HD2 PHE 105 2HD PHE 105 9.195 -5.343 2.813 807 HE1 PHE 105 1HE PHE 105 10.440 -4.366 -1.841 808 HE2 PHE 105 2HE PHE 105 9.172 -7.136 1.136 809 HZ PHE 105 HZ PHE 105 9.797 -6.651 -1.194 810 H THR 106 HN THR 106 7.068 -2.005 4.590 811 HA THR 106 HA THR 106 8.443 0.244 5.896 812 HB THR 106 HB THR 106 5.504 -0.174 6.344 813 HG1 THR 106 1HG THR 106 6.640 0.372 3.941 814 HG21 THR 106 3HG2 THR 106 5.545 2.260 6.627 815 HG22 THR 106 1HG2 THR 106 7.239 2.302 6.144 816 HG23 THR 106 2HG2 THR 106 6.773 1.514 7.649 817 H ASP 107 HN ASP 107 6.580 -0.031 8.221 818 HA ASP 107 HA ASP 107 8.136 -1.888 9.712 819 HB2 ASP 107 2HB ASP 107 5.582 -0.492 10.522 820 HB3 ASP 107 1HB ASP 107 6.733 -1.257 11.606 821 H SER 108 HN SER 108 4.596 -1.786 9.255 822 HA SER 108 HA SER 108 4.144 -4.371 10.273 823 HB2 SER 108 2HB SER 108 2.388 -2.683 10.269 824 HB3 SER 108 1HB SER 108 2.403 -2.632 8.509 825 HG SER 108 HG SER 108 1.868 -5.021 9.926 826 H GLY 109 HN GLY 109 4.465 -3.190 6.949 827 HA2 GLY 109 2HA GLY 109 5.424 -5.631 5.974 828 HA3 GLY 109 1HA GLY 109 3.696 -5.555 5.666 829 H ILE 110 HN ILE 110 3.780 -5.405 3.496 830 HA ILE 110 HA ILE 110 5.423 -3.305 2.289 831 HB ILE 110 HB ILE 110 3.789 -5.415 0.869 832 HG12 ILE 110 2HG1 ILE 110 6.736 -5.493 1.567 833 HG13 ILE 110 1HG1 ILE 110 5.488 -6.440 2.371 834 HG21 ILE 110 1HG2 ILE 110 6.056 -3.638 -0.024 835 HG22 ILE 110 2HG2 ILE 110 4.366 -3.520 -0.520 836 HG23 ILE 110 3HG2 ILE 110 5.333 -4.917 -0.997 837 HD11 ILE 110 3HD1 ILE 110 6.699 -7.775 0.748 838 HD12 ILE 110 1HD1 ILE 110 6.268 -6.640 -0.530 839 HD13 ILE 110 2HD1 ILE 110 5.013 -7.589 0.265 840 H HIS 111 HN HIS 111 4.558 -1.573 1.249 841 HA HIS 111 HA HIS 111 1.618 -1.306 1.319 842 HB2 HIS 111 2HB HIS 111 3.725 0.840 1.685 843 HB3 HIS 111 1HB HIS 111 2.001 1.144 1.567 844 HD1 HIS 111 1HD HIS 111 1.221 1.790 3.825 845 HD2 HIS 111 2HD HIS 111 3.974 -1.314 3.981 846 HE1 HIS 111 1HE HIS 111 1.429 1.196 6.247 847 HE2 HIS 111 2HE HIS 111 3.242 -0.528 6.330 848 H ILE 112 HN ILE 112 0.677 -0.957 -0.598 849 HA ILE 112 HA ILE 112 2.340 0.002 -2.824 850 HB ILE 112 HB ILE 112 -0.507 -1.045 -2.933 851 HG12 ILE 112 2HG1 ILE 112 2.115 -2.435 -3.520 852 HG13 ILE 112 1HG1 ILE 112 0.946 -2.864 -2.277 853 HG21 ILE 112 1HG2 ILE 112 1.475 -0.469 -5.132 854 HG22 ILE 112 2HG2 ILE 112 0.034 0.474 -4.754 855 HG23 ILE 112 3HG2 ILE 112 -0.125 -1.177 -5.353 856 HD11 ILE 112 3HD1 ILE 112 0.664 -4.429 -4.017 857 HD12 ILE 112 1HD1 ILE 112 0.688 -3.165 -5.250 858 HD13 ILE 112 2HD1 ILE 112 -0.683 -3.297 -4.162 859 H ILE 113 HN ILE 113 2.042 2.028 -3.621 860 HA ILE 113 HA ILE 113 0.014 3.649 -2.227 861 HB ILE 113 HB ILE 113 2.639 4.603 -3.378 862 HG12 ILE 113 2HG1 ILE 113 1.892 4.131 -0.483 863 HG13 ILE 113 1HG1 ILE 113 2.899 3.053 -1.441 864 HG21 ILE 113 1HG2 ILE 113 0.623 5.978 -1.598 865 HG22 ILE 113 2HG2 ILE 113 0.912 6.330 -3.300 866 HG23 ILE 113 3HG2 ILE 113 2.171 6.652 -2.107 867 HD11 ILE 113 3HD1 ILE 113 4.240 4.463 -0.014 868 HD12 ILE 113 1HD1 ILE 113 3.527 5.906 -0.734 869 HD13 ILE 113 2HD1 ILE 113 4.535 4.838 -1.711 870 H LEU 114 HN LEU 114 -1.580 4.344 -3.448 871 HA LEU 114 HA LEU 114 -1.072 4.905 -6.295 872 HB2 LEU 114 2HB LEU 114 -2.738 3.179 -6.064 873 HB3 LEU 114 1HB LEU 114 -3.602 4.102 -4.854 874 HG LEU 114 HG LEU 114 -4.128 5.802 -6.623 875 HD11 LEU 114 1HD1 LEU 114 -3.070 3.693 -8.494 876 HD12 LEU 114 2HD1 LEU 114 -2.309 5.250 -8.163 877 HD13 LEU 114 3HD1 LEU 114 -3.886 5.188 -8.952 878 HD21 LEU 114 3HD2 LEU 114 -5.090 2.987 -7.114 879 HD22 LEU 114 1HD2 LEU 114 -5.881 4.460 -7.678 880 HD23 LEU 114 2HD2 LEU 114 -5.760 4.131 -5.950 881 H ARG 115 HN ARG 115 -0.747 7.031 -6.540 882 HA ARG 115 HA ARG 115 -1.925 8.864 -4.635 883 HB2 ARG 115 2HB ARG 115 0.395 9.215 -5.304 884 HB3 ARG 115 1HB ARG 115 -0.103 9.401 -6.982 885 HG2 ARG 115 2HG ARG 115 -1.345 11.402 -6.423 886 HG3 ARG 115 1HG ARG 115 -0.936 11.200 -4.719 887 HD2 ARG 115 2HD ARG 115 1.402 11.517 -5.204 888 HD3 ARG 115 1HD ARG 115 1.066 11.583 -6.935 889 HE ARG 115 HE ARG 115 -0.481 13.552 -5.734 890 HH11 ARG 115 1HH1 ARG 115 2.945 12.833 -6.078 891 HH12 ARG 115 2HH1 ARG 115 3.420 14.494 -6.119 892 HH21 ARG 115 1HH2 ARG 115 0.155 15.743 -5.793 893 HH22 ARG 115 2HH2 ARG 115 1.829 16.160 -5.970 894 H THR 116 HN THR 116 -3.873 9.599 -4.902 895 HA THR 116 HA THR 116 -5.163 9.520 -7.479 896 HB THR 116 HB THR 116 -6.298 10.659 -4.924 897 HG1 THR 116 1HG THR 116 -6.973 8.064 -5.509 898 HG21 THR 116 3HG2 THR 116 -7.580 11.054 -6.979 899 HG22 THR 116 1HG2 THR 116 -8.427 9.937 -5.908 900 HG23 THR 116 2HG2 THR 116 -7.567 9.323 -7.320 901 H GLU 117 HN GLU 117 -4.133 11.965 -5.129 902 HA GLU 117 HA GLU 117 -4.762 14.060 -7.091 903 HB2 GLU 117 2HB GLU 117 -4.335 14.286 -4.107 904 HB3 GLU 117 1HB GLU 117 -4.698 15.622 -5.185 905 HG2 GLU 117 2HG GLU 117 -6.513 13.266 -4.735 906 HG3 GLU 117 1HG GLU 117 -6.638 14.802 -3.878 Start of MODEL 7 1 H1 GLY 1 1HT GLY 1 8.316 22.667 -10.967 2 H2 GLY 1 2HT GLY 1 9.103 24.145 -11.129 3 H3 GLY 1 3HT GLY 1 9.994 22.712 -11.181 4 HA2 GLY 1 1HA GLY 1 9.731 23.613 -13.396 5 HA3 GLY 1 2HA GLY 1 8.882 22.080 -13.235 6 H SER 2 HN SER 2 7.514 22.682 -14.998 7 HA SER 2 HA SER 2 5.917 25.009 -14.988 8 HB2 SER 2 2HB SER 2 5.341 22.347 -16.312 9 HB3 SER 2 1HB SER 2 4.630 23.905 -16.741 10 HG SER 2 HG SER 2 6.900 24.580 -17.091 11 H HIS 3 HN HIS 3 5.570 21.881 -13.508 12 HA HIS 3 HA HIS 3 2.929 22.633 -12.481 13 HB2 HIS 3 2HB HIS 3 4.372 19.972 -12.453 14 HB3 HIS 3 1HB HIS 3 2.805 20.263 -11.708 15 HD1 HIS 3 1HD HIS 3 4.061 18.699 -14.516 16 HD2 HIS 3 2HD HIS 3 1.056 21.513 -13.980 17 HE1 HIS 3 1HE HIS 3 2.598 18.518 -16.550 18 HE2 HIS 3 2HE HIS 3 0.901 20.358 -16.283 19 H MET 4 HN MET 4 2.540 22.438 -10.217 20 HA MET 4 HA MET 4 4.960 22.953 -8.644 21 HB2 MET 4 2HB MET 4 3.596 24.110 -7.072 22 HB3 MET 4 1HB MET 4 3.078 24.652 -8.661 23 HG2 MET 4 2HG MET 4 1.149 23.181 -8.558 24 HG3 MET 4 1HG MET 4 1.685 22.562 -6.998 25 HE1 MET 4 3HE MET 4 -1.252 23.668 -7.456 26 HE2 MET 4 1HE MET 4 -1.467 24.633 -5.996 27 HE3 MET 4 2HE MET 4 -0.656 23.068 -5.910 28 H GLU 5 HN GLU 5 5.221 21.938 -6.622 29 HA GLU 5 HA GLU 5 4.170 19.265 -6.522 30 HB2 GLU 5 2HB GLU 5 6.516 19.749 -5.933 31 HB3 GLU 5 1HB GLU 5 5.967 20.749 -4.598 32 HG2 GLU 5 2HG GLU 5 5.037 18.837 -3.481 33 HG3 GLU 5 1HG GLU 5 5.415 17.806 -4.863 34 HA PRO 6 HA PRO 6 0.531 20.613 -4.312 35 HB2 PRO 6 2HB PRO 6 0.394 17.721 -3.654 36 HB3 PRO 6 1HB PRO 6 -0.825 18.763 -4.391 37 HG2 PRO 6 2HG PRO 6 0.501 16.989 -5.861 38 HG3 PRO 6 1HG PRO 6 0.117 18.597 -6.503 39 HD2 PRO 6 2HD PRO 6 2.709 17.546 -5.451 40 HD3 PRO 6 1HD PRO 6 2.393 18.613 -6.838 41 H ALA 7 HN ALA 7 0.309 21.331 -2.301 42 HA ALA 7 HA ALA 7 2.165 20.606 -0.246 43 HB1 ALA 7 1HB ALA 7 0.929 22.207 1.134 44 HB2 ALA 7 2HB ALA 7 -0.330 22.306 -0.097 45 HB3 ALA 7 3HB ALA 7 1.294 22.894 -0.450 46 H ARG 8 HN ARG 8 -1.011 19.698 -1.217 47 HA ARG 8 HA ARG 8 -1.153 17.804 1.026 48 HB2 ARG 8 2HB ARG 8 -3.440 19.262 -0.313 49 HB3 ARG 8 1HB ARG 8 -3.630 17.969 0.861 50 HG2 ARG 8 2HG ARG 8 -2.541 19.333 2.555 51 HG3 ARG 8 1HG ARG 8 -2.312 20.626 1.374 52 HD2 ARG 8 2HD ARG 8 -4.725 20.838 1.122 53 HD3 ARG 8 1HD ARG 8 -4.971 19.512 2.258 54 HE ARG 8 HE ARG 8 -3.415 21.463 3.507 55 HH11 ARG 8 1HH1 ARG 8 -6.681 21.066 2.310 56 HH12 ARG 8 2HH1 ARG 8 -7.371 22.162 3.453 57 HH21 ARG 8 1HH2 ARG 8 -4.328 22.915 5.037 58 HH22 ARG 8 2HH2 ARG 8 -6.030 23.219 5.010 59 H VAL 9 HN VAL 9 -0.826 15.848 0.248 60 HA VAL 9 HA VAL 9 -1.766 15.254 -2.474 61 HB VAL 9 HB VAL 9 -0.056 13.437 -2.507 62 HG11 VAL 9 1HG1 VAL 9 1.009 16.214 -2.006 63 HG12 VAL 9 2HG1 VAL 9 0.437 15.570 -3.547 64 HG13 VAL 9 3HG1 VAL 9 1.892 14.908 -2.800 65 HG21 VAL 9 3HG2 VAL 9 1.745 13.464 -0.841 66 HG22 VAL 9 1HG2 VAL 9 0.185 13.099 -0.103 67 HG23 VAL 9 2HG2 VAL 9 0.883 14.709 0.064 68 H ARG 10 HN ARG 10 -2.801 13.291 -2.869 69 HA ARG 10 HA ARG 10 -3.620 11.797 -0.478 70 HB2 ARG 10 2HB ARG 10 -5.509 13.161 -1.187 71 HB3 ARG 10 1HB ARG 10 -5.361 12.553 -2.830 72 HG2 ARG 10 2HG ARG 10 -5.989 10.332 -2.112 73 HG3 ARG 10 1HG ARG 10 -6.027 10.859 -0.429 74 HD2 ARG 10 2HD ARG 10 -7.845 12.382 -0.927 75 HD3 ARG 10 1HD ARG 10 -7.778 11.935 -2.631 76 HE ARG 10 HE ARG 10 -8.225 9.702 -0.859 77 HH11 ARG 10 1HH1 ARG 10 -9.767 12.304 -2.645 78 HH12 ARG 10 2HH1 ARG 10 -11.293 11.499 -2.748 79 HH21 ARG 10 1HH2 ARG 10 -10.237 8.657 -0.984 80 HH22 ARG 10 2HH2 ARG 10 -11.568 9.405 -1.798 81 H CYS 11 HN CYS 11 -3.317 9.700 -0.581 82 HA CYS 11 HA CYS 11 -3.045 8.408 -3.187 83 HB2 CYS 11 2HB CYS 11 -1.078 8.077 -0.914 84 HB3 CYS 11 1HB CYS 11 -1.040 7.224 -2.451 85 HG CYS 11 HG CYS 11 0.846 9.495 -1.918 86 H SER 12 HN SER 12 -3.385 6.163 -3.117 87 HA SER 12 HA SER 12 -4.918 5.260 -0.801 88 HB2 SER 12 2HB SER 12 -4.589 3.966 -3.525 89 HB3 SER 12 1HB SER 12 -5.749 3.514 -2.277 90 HG SER 12 HG SER 12 -7.029 4.964 -3.059 91 H HIS 13 HN HIS 13 -4.291 3.371 0.327 92 HA HIS 13 HA HIS 13 -1.588 2.451 -0.345 93 HB2 HIS 13 2HB HIS 13 -0.869 2.505 1.958 94 HB3 HIS 13 1HB HIS 13 -1.440 4.097 1.493 95 HD1 HIS 13 1HD HIS 13 -1.358 2.284 4.374 96 HD2 HIS 13 2HD HIS 13 -4.550 3.965 2.311 97 HE1 HIS 13 1HE HIS 13 -3.182 2.561 6.068 98 HE2 HIS 13 2HE HIS 13 -4.956 3.855 4.863 99 H LEU 14 HN LEU 14 -1.289 0.406 -0.419 100 HA LEU 14 HA LEU 14 -3.258 -1.425 0.770 101 HB2 LEU 14 2HB LEU 14 -2.698 -1.525 -1.739 102 HB3 LEU 14 1HB LEU 14 -1.097 -2.037 -1.269 103 HG LEU 14 HG LEU 14 -2.570 -3.886 -2.046 104 HD11 LEU 14 1HD1 LEU 14 -2.049 -5.466 -0.265 105 HD12 LEU 14 2HD1 LEU 14 -1.669 -4.124 0.813 106 HD13 LEU 14 3HD1 LEU 14 -0.686 -4.407 -0.624 107 HD21 LEU 14 3HD2 LEU 14 -4.342 -4.703 -0.612 108 HD22 LEU 14 1HD2 LEU 14 -4.673 -3.066 -1.171 109 HD23 LEU 14 2HD2 LEU 14 -4.106 -3.338 0.477 110 H LEU 15 HN LEU 15 -2.597 -2.574 2.502 111 HA LEU 15 HA LEU 15 0.283 -2.624 3.030 112 HB2 LEU 15 2HB LEU 15 -0.773 -0.964 4.467 113 HB3 LEU 15 1HB LEU 15 -1.910 -2.165 5.046 114 HG LEU 15 HG LEU 15 -0.126 -3.387 6.150 115 HD11 LEU 15 1HD1 LEU 15 1.694 -1.266 5.031 116 HD12 LEU 15 2HD1 LEU 15 1.670 -2.972 4.582 117 HD13 LEU 15 3HD1 LEU 15 2.153 -2.495 6.208 118 HD21 LEU 15 3HD2 LEU 15 0.542 -1.692 7.807 119 HD22 LEU 15 1HD2 LEU 15 -1.175 -1.619 7.416 120 HD23 LEU 15 2HD2 LEU 15 -0.066 -0.431 6.735 121 H VAL 16 HN VAL 16 1.042 -4.565 3.131 122 HA VAL 16 HA VAL 16 -0.538 -6.648 4.413 123 HB VAL 16 HB VAL 16 -0.843 -7.012 2.009 124 HG11 VAL 16 1HG1 VAL 16 2.162 -7.158 1.858 125 HG12 VAL 16 2HG1 VAL 16 1.138 -5.901 1.161 126 HG13 VAL 16 3HG1 VAL 16 1.047 -7.554 0.549 127 HG21 VAL 16 3HG2 VAL 16 0.031 -9.318 1.858 128 HG22 VAL 16 1HG2 VAL 16 -0.747 -8.978 3.404 129 HG23 VAL 16 2HG2 VAL 16 1.012 -9.011 3.290 130 H LYS 17 HN LYS 17 0.602 -7.786 5.828 131 HA LYS 17 HA LYS 17 3.446 -7.202 6.043 132 HB2 LYS 17 2HB LYS 17 1.467 -8.353 7.997 133 HB3 LYS 17 1HB LYS 17 3.191 -8.228 8.325 134 HG2 LYS 17 2HG LYS 17 3.118 -5.852 8.197 135 HG3 LYS 17 1HG LYS 17 1.456 -5.882 7.609 136 HD2 LYS 17 2HD LYS 17 0.696 -6.777 9.728 137 HD3 LYS 17 1HD LYS 17 2.360 -6.855 10.315 138 HE2 LYS 17 2HE LYS 17 1.072 -4.879 11.133 139 HE3 LYS 17 1HE LYS 17 2.558 -4.474 10.274 140 HZ1 LYS 17 3HZ LYS 17 0.593 -3.113 9.666 141 HZ2 LYS 17 1HZ LYS 17 -0.122 -4.499 9.001 142 HZ3 LYS 17 2HZ LYS 17 1.327 -3.889 8.355 143 H HIS 18 HN HIS 18 4.583 -9.196 7.249 144 HA HIS 18 HA HIS 18 3.894 -11.722 6.089 145 HB2 HIS 18 2HB HIS 18 6.059 -12.032 4.905 146 HB3 HIS 18 1HB HIS 18 5.079 -10.768 4.183 147 HD1 HIS 18 1HD HIS 18 8.448 -11.426 4.859 148 HD2 HIS 18 2HD HIS 18 6.030 -8.096 5.464 149 HE1 HIS 18 1HE HIS 18 10.006 -9.476 5.015 150 HE2 HIS 18 2HE HIS 18 8.544 -7.539 5.650 151 H SER 19 HN SER 19 5.959 -13.241 6.589 152 HA SER 19 HA SER 19 6.006 -13.648 9.288 153 HB2 SER 19 2HB SER 19 8.209 -14.885 8.778 154 HB3 SER 19 1HB SER 19 6.749 -15.396 7.927 155 HG SER 19 HG SER 19 8.860 -14.916 6.724 156 H GLN 20 HN GLN 20 8.428 -11.832 7.422 157 HA GLN 20 HA GLN 20 9.783 -11.066 9.852 158 HB2 GLN 20 2HB GLN 20 10.287 -10.309 6.982 159 HB3 GLN 20 1HB GLN 20 11.256 -9.744 8.331 160 HG2 GLN 20 2HG GLN 20 10.920 -12.584 7.415 161 HG3 GLN 20 1HG GLN 20 12.357 -11.579 7.253 162 HE21 GLN 20 1HE2 GLN 20 12.037 -14.144 8.531 163 HE22 GLN 20 2HE2 GLN 20 12.528 -13.946 10.175 164 H SER 21 HN SER 21 7.681 -10.117 10.591 165 HA SER 21 HA SER 21 7.878 -7.239 10.219 166 HB2 SER 21 2HB SER 21 6.047 -7.987 8.709 167 HB3 SER 21 1HB SER 21 5.243 -8.742 10.082 168 HG SER 21 HG SER 21 5.802 -5.964 9.759 169 H ARG 22 HN ARG 22 6.903 -6.074 12.027 170 HA ARG 22 HA ARG 22 7.387 -7.424 14.497 171 HB2 ARG 22 2HB ARG 22 6.900 -4.662 13.644 172 HB3 ARG 22 1HB ARG 22 6.203 -5.045 15.211 173 HG2 ARG 22 2HG ARG 22 8.413 -4.138 15.503 174 HG3 ARG 22 1HG ARG 22 8.402 -5.834 15.975 175 HD2 ARG 22 2HD ARG 22 9.182 -6.239 13.520 176 HD3 ARG 22 1HD ARG 22 9.644 -4.537 13.583 177 HE ARG 22 HE ARG 22 10.602 -6.401 15.641 178 HH11 ARG 22 1HH1 ARG 22 11.338 -4.158 13.014 179 HH12 ARG 22 2HH1 ARG 22 13.038 -4.208 13.308 180 HH21 ARG 22 1HH2 ARG 22 12.851 -6.462 15.993 181 HH22 ARG 22 2HH2 ARG 22 13.908 -5.520 15.004 182 H ARG 23 HN ARG 23 4.640 -6.969 12.543 183 HA ARG 23 HA ARG 23 2.944 -7.970 14.726 184 HB2 ARG 23 2HB ARG 23 2.336 -5.657 14.203 185 HB3 ARG 23 1HB ARG 23 2.161 -6.069 12.505 186 HG2 ARG 23 2HG ARG 23 -0.009 -5.883 13.518 187 HG3 ARG 23 1HG ARG 23 0.291 -7.566 13.092 188 HD2 ARG 23 2HD ARG 23 0.920 -8.022 15.432 189 HD3 ARG 23 1HD ARG 23 0.557 -6.343 15.839 190 HE ARG 23 HE ARG 23 -1.715 -7.301 14.648 191 HH11 ARG 23 1HH1 ARG 23 0.173 -8.165 17.468 192 HH12 ARG 23 2HH1 ARG 23 -1.167 -8.857 18.313 193 HH21 ARG 23 1HH2 ARG 23 -3.496 -8.221 15.757 194 HH22 ARG 23 2HH2 ARG 23 -3.263 -8.895 17.333 195 HA PRO 24 HA PRO 24 2.650 -11.088 11.428 196 HB2 PRO 24 2HB PRO 24 2.984 -13.242 12.949 197 HB3 PRO 24 1HB PRO 24 4.349 -12.183 12.571 198 HG2 PRO 24 2HG PRO 24 2.781 -12.419 15.095 199 HG3 PRO 24 1HG PRO 24 4.506 -12.079 14.870 200 HD2 PRO 24 2HD PRO 24 2.461 -10.187 15.346 201 HD3 PRO 24 1HD PRO 24 4.128 -9.842 14.844 202 H SER 25 HN SER 25 0.393 -9.823 13.010 203 HA SER 25 HA SER 25 -1.528 -11.984 12.626 204 HB2 SER 25 2HB SER 25 -1.466 -10.294 15.142 205 HB3 SER 25 1HB SER 25 -2.615 -11.577 14.765 206 HG SER 25 HG SER 25 -0.718 -12.990 14.665 207 H SER 26 HN SER 26 -3.259 -11.254 11.521 208 HA SER 26 HA SER 26 -3.822 -8.364 11.595 209 HB2 SER 26 2HB SER 26 -4.396 -8.443 9.257 210 HB3 SER 26 1HB SER 26 -2.800 -9.172 9.442 211 H TRP 27 HN TRP 27 -6.164 -8.327 10.213 212 HA TRP 27 HA TRP 27 -7.976 -9.649 12.039 213 HB2 TRP 27 2HB TRP 27 -9.729 -8.317 10.930 214 HB3 TRP 27 1HB TRP 27 -8.395 -7.302 11.459 215 HD1 TRP 27 1HD TRP 27 -6.870 -6.184 9.542 216 HE1 TRP 27 1HE TRP 27 -7.311 -5.734 7.044 217 HE3 TRP 27 3HE TRP 27 -10.909 -9.244 8.860 218 HZ2 TRP 27 2HZ TRP 27 -9.130 -6.558 5.058 219 HZ3 TRP 27 3HZ TRP 27 -11.942 -9.353 6.631 220 HH2 TRP 27 2HH TRP 27 -11.071 -8.036 4.771 221 H ARG 28 HN ARG 28 -6.592 -10.222 9.010 222 HA ARG 28 HA ARG 28 -8.778 -11.978 8.161 223 HB2 ARG 28 2HB ARG 28 -7.531 -12.072 5.977 224 HB3 ARG 28 1HB ARG 28 -8.113 -10.473 6.416 225 HG2 ARG 28 2HG ARG 28 -5.835 -9.934 7.247 226 HG3 ARG 28 1HG ARG 28 -5.290 -11.498 6.648 227 HD2 ARG 28 2HD ARG 28 -6.550 -9.355 4.942 228 HD3 ARG 28 1HD ARG 28 -4.814 -9.601 5.114 229 HE ARG 28 HE ARG 28 -6.513 -11.785 4.111 230 HH11 ARG 28 1HH1 ARG 28 -3.933 -9.466 3.581 231 HH12 ARG 28 2HH1 ARG 28 -3.404 -10.198 2.111 232 HH21 ARG 28 1HH2 ARG 28 -5.828 -12.739 2.159 233 HH22 ARG 28 2HH2 ARG 28 -4.504 -12.058 1.275 234 H GLN 29 HN GLN 29 -5.348 -11.975 8.978 235 HA GLN 29 HA GLN 29 -5.494 -14.899 9.228 236 HB2 GLN 29 2HB GLN 29 -4.284 -14.271 7.151 237 HB3 GLN 29 1HB GLN 29 -3.166 -13.318 8.110 238 HG2 GLN 29 2HG GLN 29 -2.394 -15.339 9.231 239 HG3 GLN 29 1HG GLN 29 -3.542 -16.299 8.298 240 HE21 GLN 29 1HE2 GLN 29 -1.904 -17.537 7.381 241 HE22 GLN 29 2HE2 GLN 29 -0.854 -16.916 6.161 242 H GLU 30 HN GLU 30 -5.138 -15.429 11.293 243 HA GLU 30 HA GLU 30 -4.219 -13.489 13.171 244 HB2 GLU 30 2HB GLU 30 -4.722 -16.438 13.578 245 HB3 GLU 30 1HB GLU 30 -4.491 -15.250 14.855 246 HG2 GLU 30 2HG GLU 30 -6.501 -14.045 13.905 247 HG3 GLU 30 1HG GLU 30 -6.782 -15.486 12.933 248 H LYS 31 HN LYS 31 -2.667 -15.985 11.379 249 HA LYS 31 HA LYS 31 -0.162 -15.179 12.646 250 HB2 LYS 31 2HB LYS 31 0.688 -17.518 12.510 251 HB3 LYS 31 1HB LYS 31 -0.624 -17.315 13.657 252 HG2 LYS 31 2HG LYS 31 -2.183 -18.317 12.101 253 HG3 LYS 31 1HG LYS 31 -0.919 -18.433 10.875 254 HD2 LYS 31 2HD LYS 31 0.361 -19.909 12.393 255 HD3 LYS 31 1HD LYS 31 -0.978 -19.847 13.540 256 HE2 LYS 31 2HE LYS 31 -1.120 -20.894 10.715 257 HE3 LYS 31 1HE LYS 31 -1.040 -21.882 12.171 258 HZ1 LYS 31 3HZ LYS 31 -3.298 -21.701 11.404 259 HZ2 LYS 31 1HZ LYS 31 -3.231 -20.014 11.443 260 HZ3 LYS 31 2HZ LYS 31 -3.150 -20.899 12.879 261 H ILE 32 HN ILE 32 0.665 -14.003 11.072 262 HA ILE 32 HA ILE 32 0.345 -14.605 8.302 263 HB ILE 32 HB ILE 32 2.413 -12.760 9.523 264 HG12 ILE 32 2HG1 ILE 32 0.149 -12.176 10.337 265 HG13 ILE 32 1HG1 ILE 32 0.806 -10.940 9.273 266 HG21 ILE 32 1HG2 ILE 32 1.131 -12.819 6.799 267 HG22 ILE 32 2HG2 ILE 32 2.789 -13.279 7.185 268 HG23 ILE 32 3HG2 ILE 32 2.272 -11.602 7.369 269 HD11 ILE 32 3HD1 ILE 32 -1.554 -11.340 8.851 270 HD12 ILE 32 1HD1 ILE 32 -1.210 -13.034 8.504 271 HD13 ILE 32 2HD1 ILE 32 -0.573 -11.772 7.450 272 H THR 33 HN THR 33 1.122 -16.646 7.890 273 HA THR 33 HA THR 33 3.823 -17.349 8.649 274 HB THR 33 HB THR 33 3.227 -19.508 7.431 275 HG1 THR 33 1HG THR 33 1.467 -19.359 6.266 276 HG21 THR 33 3HG2 THR 33 1.778 -20.294 9.258 277 HG22 THR 33 1HG2 THR 33 1.471 -18.622 9.730 278 HG23 THR 33 2HG2 THR 33 3.096 -19.296 9.870 279 H ARG 34 HN ARG 34 2.249 -15.943 5.994 280 HA ARG 34 HA ARG 34 3.864 -16.939 3.896 281 HB2 ARG 34 2HB ARG 34 2.991 -14.986 2.593 282 HB3 ARG 34 1HB ARG 34 1.757 -16.007 3.309 283 HG2 ARG 34 2HG ARG 34 1.700 -14.297 5.213 284 HG3 ARG 34 1HG ARG 34 2.610 -13.249 4.121 285 HD2 ARG 34 2HD ARG 34 0.185 -12.837 3.995 286 HD3 ARG 34 1HD ARG 34 0.840 -13.407 2.457 287 HE ARG 34 HE ARG 34 0.040 -15.690 3.573 288 HH11 ARG 34 1HH1 ARG 34 -1.669 -12.641 3.201 289 HH12 ARG 34 2HH1 ARG 34 -3.228 -13.391 3.179 290 HH21 ARG 34 1HH2 ARG 34 -2.009 -16.660 3.531 291 HH22 ARG 34 2HH2 ARG 34 -3.421 -15.681 3.361 292 H THR 35 HN THR 35 5.848 -16.512 3.335 293 HA THR 35 HA THR 35 7.347 -14.493 4.749 294 HB THR 35 HB THR 35 8.338 -16.727 4.393 295 HG1 THR 35 1HG THR 35 10.332 -15.951 3.957 296 HG21 THR 35 3HG2 THR 35 9.100 -17.397 2.145 297 HG22 THR 35 1HG2 THR 35 8.275 -15.997 1.460 298 HG23 THR 35 2HG2 THR 35 7.344 -17.278 2.237 299 H LYS 36 HN LYS 36 9.161 -13.505 3.125 300 HA LYS 36 HA LYS 36 7.899 -11.408 1.768 301 HB2 LYS 36 2HB LYS 36 10.169 -11.202 2.606 302 HB3 LYS 36 1HB LYS 36 10.723 -12.459 1.510 303 HG2 LYS 36 2HG LYS 36 10.133 -11.004 -0.395 304 HG3 LYS 36 1HG LYS 36 9.693 -9.734 0.747 305 HD2 LYS 36 2HD LYS 36 11.972 -9.669 1.586 306 HD3 LYS 36 1HD LYS 36 12.421 -11.006 0.524 307 HE2 LYS 36 2HE LYS 36 11.874 -9.627 -1.428 308 HE3 LYS 36 1HE LYS 36 11.453 -8.290 -0.362 309 HZ1 LYS 36 3HZ LYS 36 13.732 -8.241 0.421 310 HZ2 LYS 36 1HZ LYS 36 13.678 -8.058 -1.258 311 HZ3 LYS 36 2HZ LYS 36 14.142 -9.537 -0.583 312 H GLU 37 HN GLU 37 9.286 -14.424 0.556 313 HA GLU 37 HA GLU 37 9.110 -13.910 -2.176 314 HB2 GLU 37 2HB GLU 37 8.766 -16.570 -0.789 315 HB3 GLU 37 1HB GLU 37 9.134 -16.337 -2.491 316 HG2 GLU 37 2HG GLU 37 10.870 -15.700 -0.133 317 HG3 GLU 37 1HG GLU 37 11.147 -16.906 -1.389 318 H GLU 38 HN GLU 38 6.723 -15.296 0.014 319 HA GLU 38 HA GLU 38 4.787 -15.802 -1.993 320 HB2 GLU 38 2HB GLU 38 4.368 -15.416 0.973 321 HB3 GLU 38 1HB GLU 38 3.247 -16.175 -0.145 322 HG2 GLU 38 2HG GLU 38 5.943 -17.200 0.699 323 HG3 GLU 38 1HG GLU 38 4.368 -17.873 1.111 324 H ALA 39 HN ALA 39 5.363 -13.168 0.267 325 HA ALA 39 HA ALA 39 3.037 -11.688 -0.246 326 HB1 ALA 39 1HB ALA 39 4.192 -9.824 0.801 327 HB2 ALA 39 2HB ALA 39 5.733 -10.666 0.637 328 HB3 ALA 39 3HB ALA 39 4.483 -11.315 1.700 329 H LEU 40 HN LEU 40 6.266 -11.535 -1.728 330 HA LEU 40 HA LEU 40 5.822 -9.312 -3.361 331 HB2 LEU 40 2HB LEU 40 7.755 -11.524 -3.300 332 HB3 LEU 40 1HB LEU 40 7.524 -10.796 -4.875 333 HG LEU 40 HG LEU 40 9.428 -9.829 -3.643 334 HD11 LEU 40 1HD1 LEU 40 7.150 -7.906 -4.097 335 HD12 LEU 40 2HD1 LEU 40 8.265 -8.505 -5.326 336 HD13 LEU 40 3HD1 LEU 40 8.861 -7.488 -4.015 337 HD21 LEU 40 3HD2 LEU 40 9.054 -8.421 -1.710 338 HD22 LEU 40 1HD2 LEU 40 8.498 -10.059 -1.379 339 HD23 LEU 40 2HD2 LEU 40 7.330 -8.789 -1.743 340 H GLU 41 HN GLU 41 5.275 -12.746 -4.053 341 HA GLU 41 HA GLU 41 4.436 -12.401 -6.709 342 HB2 GLU 41 2HB GLU 41 3.773 -14.533 -4.685 343 HB3 GLU 41 1HB GLU 41 3.238 -14.600 -6.358 344 HG2 GLU 41 2HG GLU 41 6.088 -14.559 -5.392 345 HG3 GLU 41 1HG GLU 41 5.216 -15.943 -6.050 346 H LEU 42 HN LEU 42 2.733 -12.120 -3.671 347 HA LEU 42 HA LEU 42 0.137 -11.901 -4.822 348 HB2 LEU 42 2HB LEU 42 1.155 -10.986 -2.131 349 HB3 LEU 42 1HB LEU 42 -0.533 -11.072 -2.595 350 HG LEU 42 HG LEU 42 1.329 -13.440 -2.382 351 HD11 LEU 42 1HD1 LEU 42 -0.880 -12.525 -0.556 352 HD12 LEU 42 2HD1 LEU 42 0.848 -12.476 -0.205 353 HD13 LEU 42 3HD1 LEU 42 0.030 -14.027 -0.403 354 HD21 LEU 42 3HD2 LEU 42 -0.736 -14.763 -2.603 355 HD22 LEU 42 1HD2 LEU 42 -0.403 -13.801 -4.043 356 HD23 LEU 42 2HD2 LEU 42 -1.639 -13.278 -2.900 357 H ILE 43 HN ILE 43 2.596 -9.597 -3.741 358 HA ILE 43 HA ILE 43 1.197 -7.213 -4.200 359 HB ILE 43 HB ILE 43 4.163 -7.764 -4.500 360 HG12 ILE 43 2HG1 ILE 43 3.305 -8.196 -2.243 361 HG13 ILE 43 1HG1 ILE 43 4.360 -6.790 -2.259 362 HG21 ILE 43 1HG2 ILE 43 2.747 -5.107 -4.287 363 HG22 ILE 43 2HG2 ILE 43 3.552 -5.746 -5.721 364 HG23 ILE 43 3HG2 ILE 43 4.495 -5.346 -4.286 365 HD11 ILE 43 3HD1 ILE 43 2.439 -6.408 -0.847 366 HD12 ILE 43 1HD1 ILE 43 1.350 -6.756 -2.191 367 HD13 ILE 43 2HD1 ILE 43 2.393 -5.334 -2.244 368 H ASN 44 HN ASN 44 3.291 -9.102 -6.343 369 HA ASN 44 HA ASN 44 3.101 -7.511 -8.627 370 HB2 ASN 44 2HB ASN 44 3.355 -10.521 -8.435 371 HB3 ASN 44 1HB ASN 44 3.610 -9.589 -9.903 372 HD21 ASN 44 1HD2 ASN 44 5.451 -11.315 -8.551 373 HD22 ASN 44 2HD2 ASN 44 6.813 -10.345 -8.110 374 H GLY 45 HN GLY 45 1.050 -10.141 -7.478 375 HA2 GLY 45 2HA GLY 45 -0.718 -10.275 -9.643 376 HA3 GLY 45 1HA GLY 45 -1.100 -10.739 -7.991 377 H TYR 46 HN TYR 46 -0.813 -8.249 -6.729 378 HA TYR 46 HA TYR 46 -3.319 -7.059 -7.216 379 HB2 TYR 46 2HB TYR 46 -0.932 -5.787 -5.845 380 HB3 TYR 46 1HB TYR 46 -2.606 -5.275 -5.698 381 HD1 TYR 46 2HD TYR 46 -3.748 -8.157 -5.432 382 HD2 TYR 46 1HD TYR 46 -0.524 -6.124 -3.538 383 HE1 TYR 46 2HE TYR 46 -3.988 -9.611 -3.465 384 HE2 TYR 46 1HE TYR 46 -0.756 -7.572 -1.572 385 HH TYR 46 HH TYR 46 -2.456 -8.945 -0.500 386 H ILE 47 HN ILE 47 -0.034 -6.035 -8.023 387 HA ILE 47 HA ILE 47 -0.659 -3.667 -9.365 388 HB ILE 47 HB ILE 47 1.659 -5.557 -9.850 389 HG12 ILE 47 2HG1 ILE 47 1.470 -3.064 -8.141 390 HG13 ILE 47 1HG1 ILE 47 1.491 -4.714 -7.532 391 HG21 ILE 47 1HG2 ILE 47 1.326 -2.667 -10.652 392 HG22 ILE 47 2HG2 ILE 47 1.366 -4.052 -11.740 393 HG23 ILE 47 3HG2 ILE 47 2.804 -3.611 -10.822 394 HD11 ILE 47 3HD1 ILE 47 3.664 -3.649 -7.302 395 HD12 ILE 47 1HD1 ILE 47 3.718 -3.363 -9.041 396 HD13 ILE 47 2HD1 ILE 47 3.745 -5.012 -8.417 397 H GLN 48 HN GLN 48 -0.363 -6.991 -10.574 398 HA GLN 48 HA GLN 48 -0.720 -6.454 -13.295 399 HB2 GLN 48 2HB GLN 48 -1.522 -8.901 -11.711 400 HB3 GLN 48 1HB GLN 48 -1.556 -8.810 -13.464 401 HG2 GLN 48 2HG GLN 48 0.875 -8.570 -11.705 402 HG3 GLN 48 1HG GLN 48 0.434 -9.950 -12.707 403 HE21 GLN 48 1HE2 GLN 48 2.843 -8.340 -12.751 404 HE22 GLN 48 2HE2 GLN 48 2.968 -7.691 -14.345 405 H LYS 49 HN LYS 49 -3.144 -7.201 -10.804 406 HA LYS 49 HA LYS 49 -5.384 -7.171 -12.478 407 HB2 LYS 49 2HB LYS 49 -5.074 -6.596 -9.542 408 HB3 LYS 49 1HB LYS 49 -6.640 -6.575 -10.338 409 HG2 LYS 49 2HG LYS 49 -6.383 -8.902 -10.963 410 HG3 LYS 49 1HG LYS 49 -4.768 -8.931 -10.251 411 HD2 LYS 49 2HD LYS 49 -5.660 -8.568 -8.057 412 HD3 LYS 49 1HD LYS 49 -7.278 -8.293 -8.707 413 HE2 LYS 49 2HE LYS 49 -6.996 -10.539 -7.716 414 HE3 LYS 49 1HE LYS 49 -7.429 -10.586 -9.424 415 HZ1 LYS 49 3HZ LYS 49 -5.676 -12.165 -8.853 416 HZ2 LYS 49 1HZ LYS 49 -4.674 -10.897 -8.360 417 HZ3 LYS 49 2HZ LYS 49 -5.143 -11.030 -9.979 418 H ILE 50 HN ILE 50 -3.807 -4.541 -10.741 419 HA ILE 50 HA ILE 50 -5.802 -2.607 -11.377 420 HB ILE 50 HB ILE 50 -2.948 -2.168 -10.472 421 HG12 ILE 50 2HG1 ILE 50 -5.504 -2.218 -8.857 422 HG13 ILE 50 1HG1 ILE 50 -4.354 -3.549 -8.941 423 HG21 ILE 50 1HG2 ILE 50 -5.318 -0.299 -10.450 424 HG22 ILE 50 2HG2 ILE 50 -3.899 -0.167 -11.490 425 HG23 ILE 50 3HG2 ILE 50 -3.735 0.039 -9.746 426 HD11 ILE 50 3HD1 ILE 50 -3.819 -0.800 -7.846 427 HD12 ILE 50 1HD1 ILE 50 -2.638 -2.106 -7.958 428 HD13 ILE 50 2HD1 ILE 50 -4.046 -2.281 -6.915 429 H LYS 51 HN LYS 51 -2.659 -3.432 -12.815 430 HA LYS 51 HA LYS 51 -2.807 -1.276 -14.708 431 HB2 LYS 51 2HB LYS 51 -0.931 -3.605 -14.423 432 HB3 LYS 51 1HB LYS 51 -0.832 -2.485 -15.771 433 HG2 LYS 51 2HG LYS 51 -0.507 -0.636 -14.172 434 HG3 LYS 51 1HG LYS 51 -0.527 -1.807 -12.852 435 HD2 LYS 51 2HD LYS 51 1.426 -2.919 -13.777 436 HD3 LYS 51 1HD LYS 51 1.418 -1.821 -15.157 437 HE2 LYS 51 2HE LYS 51 1.774 -0.971 -12.286 438 HE3 LYS 51 1HE LYS 51 3.092 -1.233 -13.424 439 HZ1 LYS 51 3HZ LYS 51 2.494 1.101 -13.247 440 HZ2 LYS 51 1HZ LYS 51 0.918 0.765 -13.746 441 HZ3 LYS 51 2HZ LYS 51 2.208 0.535 -14.811 442 H SER 52 HN SER 52 -3.434 -4.756 -14.845 443 HA SER 52 HA SER 52 -3.835 -4.766 -17.672 444 HB2 SER 52 2HB SER 52 -3.141 -6.780 -16.368 445 HB3 SER 52 1HB SER 52 -4.745 -6.821 -15.639 446 HG SER 52 HG SER 52 -5.034 -6.684 -18.288 447 H GLY 53 HN GLY 53 -5.841 -4.108 -14.920 448 HA2 GLY 53 2HA GLY 53 -7.895 -2.964 -15.052 449 HA3 GLY 53 1HA GLY 53 -8.034 -3.452 -16.735 450 H GLU 54 HN GLU 54 -7.353 -5.521 -13.975 451 HA GLU 54 HA GLU 54 -9.595 -7.206 -14.717 452 HB2 GLU 54 2HB GLU 54 -7.519 -7.567 -12.552 453 HB3 GLU 54 1HB GLU 54 -8.707 -8.764 -13.039 454 HG2 GLU 54 2HG GLU 54 -7.684 -8.754 -15.308 455 HG3 GLU 54 1HG GLU 54 -6.419 -7.703 -14.672 456 H GLU 55 HN GLU 55 -8.440 -5.445 -11.881 457 HA GLU 55 HA GLU 55 -11.187 -5.125 -10.962 458 HB2 GLU 55 2HB GLU 55 -8.987 -6.482 -9.430 459 HB3 GLU 55 1HB GLU 55 -10.268 -5.628 -8.587 460 HG2 GLU 55 2HG GLU 55 -10.725 -7.866 -10.544 461 HG3 GLU 55 1HG GLU 55 -10.630 -8.071 -8.795 462 H ASP 56 HN ASP 56 -11.145 -3.651 -8.952 463 HA ASP 56 HA ASP 56 -9.313 -1.448 -9.546 464 HB2 ASP 56 2HB ASP 56 -11.871 -1.513 -7.934 465 HB3 ASP 56 1HB ASP 56 -10.873 -0.084 -8.164 466 H PHE 57 HN PHE 57 -8.251 -0.334 -7.853 467 HA PHE 57 HA PHE 57 -6.897 -1.930 -6.024 468 HB2 PHE 57 2HB PHE 57 -6.125 0.291 -6.791 469 HB3 PHE 57 1HB PHE 57 -7.416 1.052 -5.872 470 HD1 PHE 57 2HD PHE 57 -4.191 -0.660 -5.685 471 HD2 PHE 57 1HD PHE 57 -7.272 1.260 -3.469 472 HE1 PHE 57 2HE PHE 57 -2.699 -0.523 -3.740 473 HE2 PHE 57 1HE PHE 57 -5.780 1.403 -1.518 474 HZ PHE 57 HZ PHE 57 -3.496 0.512 -1.652 475 H GLU 58 HN GLU 58 -9.815 -0.027 -5.667 476 HA GLU 58 HA GLU 58 -10.139 -0.165 -2.889 477 HB2 GLU 58 2HB GLU 58 -12.289 -0.056 -5.001 478 HB3 GLU 58 1HB GLU 58 -12.456 0.419 -3.317 479 HG2 GLU 58 2HG GLU 58 -10.925 2.250 -3.635 480 HG3 GLU 58 1HG GLU 58 -10.602 1.731 -5.289 481 H SER 59 HN SER 59 -10.841 -2.469 -5.413 482 HA SER 59 HA SER 59 -12.568 -4.125 -3.835 483 HB2 SER 59 2HB SER 59 -12.737 -3.998 -6.298 484 HB3 SER 59 1HB SER 59 -11.129 -4.696 -6.441 485 HG SER 59 HG SER 59 -12.593 -6.335 -6.692 486 H LEU 60 HN LEU 60 -9.175 -3.885 -4.470 487 HA LEU 60 HA LEU 60 -8.585 -6.498 -3.364 488 HB2 LEU 60 2HB LEU 60 -6.942 -4.312 -4.592 489 HB3 LEU 60 1HB LEU 60 -6.167 -5.583 -3.674 490 HG LEU 60 HG LEU 60 -7.044 -7.260 -5.248 491 HD11 LEU 60 1HD1 LEU 60 -8.127 -4.907 -6.776 492 HD12 LEU 60 2HD1 LEU 60 -9.083 -6.130 -5.939 493 HD13 LEU 60 3HD1 LEU 60 -8.097 -6.581 -7.330 494 HD21 LEU 60 3HD2 LEU 60 -5.656 -6.647 -7.158 495 HD22 LEU 60 1HD2 LEU 60 -4.854 -6.281 -5.630 496 HD23 LEU 60 2HD2 LEU 60 -5.589 -4.984 -6.573 497 H ALA 61 HN ALA 61 -8.004 -3.103 -2.561 498 HA ALA 61 HA ALA 61 -6.498 -3.554 -0.239 499 HB1 ALA 61 1HB ALA 61 -6.869 -1.220 0.264 500 HB2 ALA 61 2HB ALA 61 -8.189 -1.156 -0.905 501 HB3 ALA 61 3HB ALA 61 -6.537 -1.432 -1.456 502 H SER 62 HN SER 62 -9.881 -3.856 -0.733 503 HA SER 62 HA SER 62 -10.606 -3.230 1.952 504 HB2 SER 62 2HB SER 62 -12.828 -4.366 1.145 505 HB3 SER 62 1HB SER 62 -12.355 -2.782 0.529 506 HG SER 62 HG SER 62 -11.970 -3.611 -1.387 507 H GLN 63 HN GLN 63 -9.436 -6.100 0.432 508 HA GLN 63 HA GLN 63 -10.074 -7.554 2.913 509 HB2 GLN 63 2HB GLN 63 -10.400 -8.552 0.103 510 HB3 GLN 63 1HB GLN 63 -10.105 -9.674 1.418 511 HG2 GLN 63 2HG GLN 63 -12.427 -9.635 1.157 512 HG3 GLN 63 1HG GLN 63 -12.109 -8.635 2.571 513 HE21 GLN 63 1HE2 GLN 63 -11.634 -7.702 -0.782 514 HE22 GLN 63 2HE2 GLN 63 -12.837 -6.465 -0.791 515 H PHE 64 HN PHE 64 -7.691 -6.800 0.538 516 HA PHE 64 HA PHE 64 -5.951 -8.920 1.492 517 HB2 PHE 64 2HB PHE 64 -5.579 -6.902 -0.716 518 HB3 PHE 64 1HB PHE 64 -4.374 -8.103 -0.266 519 HD1 PHE 64 2HD PHE 64 -5.555 -10.569 -0.004 520 HD2 PHE 64 1HD PHE 64 -6.779 -7.428 -2.596 521 HE1 PHE 64 2HE PHE 64 -6.638 -12.214 -1.476 522 HE2 PHE 64 1HE PHE 64 -7.868 -9.066 -4.073 523 HZ PHE 64 HZ PHE 64 -7.798 -11.463 -3.514 524 H SER 65 HN SER 65 -6.565 -5.725 2.322 525 HA SER 65 HA SER 65 -3.884 -5.151 3.246 526 HB2 SER 65 2HB SER 65 -6.473 -3.690 3.820 527 HB3 SER 65 1HB SER 65 -4.849 -3.097 4.157 528 HG SER 65 HG SER 65 -6.278 -3.007 1.882 529 H ASP 66 HN ASP 66 -3.110 -5.447 5.282 530 HA ASP 66 HA ASP 66 -4.745 -6.995 7.121 531 HB2 ASP 66 2HB ASP 66 -2.760 -7.400 8.358 532 HB3 ASP 66 1HB ASP 66 -2.263 -7.431 6.671 533 H SER 67 HN SER 67 -4.126 -3.791 6.517 534 HA SER 67 HA SER 67 -4.316 -2.765 9.190 535 HB2 SER 67 2HB SER 67 -3.069 -1.490 7.572 536 HB3 SER 67 1HB SER 67 -4.438 -1.452 6.466 537 HG SER 67 HG SER 67 -3.996 -0.006 8.830 538 H SER 68 HN SER 68 -6.056 -1.342 9.896 539 HA SER 68 HA SER 68 -8.632 -2.459 9.476 540 HB2 SER 68 2HB SER 68 -7.919 0.155 10.830 541 HB3 SER 68 1HB SER 68 -9.405 -0.769 11.039 542 HG SER 68 HG SER 68 -7.873 -2.522 11.734 543 H SER 69 HN SER 69 -6.802 -0.022 7.908 544 HA SER 69 HA SER 69 -8.882 1.590 6.862 545 HB2 SER 69 2HB SER 69 -6.122 1.078 5.733 546 HB3 SER 69 1HB SER 69 -7.186 2.419 5.306 547 HG SER 69 HG SER 69 -6.941 2.381 7.949 548 H ALA 70 HN ALA 70 -8.215 -1.601 6.295 549 HA ALA 70 HA ALA 70 -8.418 -2.032 3.583 550 HB1 ALA 70 1HB ALA 70 -9.294 -4.228 4.126 551 HB2 ALA 70 2HB ALA 70 -9.710 -3.684 5.751 552 HB3 ALA 70 3HB ALA 70 -8.019 -3.790 5.264 553 H LYS 71 HN LYS 71 -11.107 -1.730 5.911 554 HA LYS 71 HA LYS 71 -13.057 -1.921 3.819 555 HB2 LYS 71 2HB LYS 71 -13.335 -1.275 6.748 556 HB3 LYS 71 1HB LYS 71 -14.696 -1.403 5.644 557 HG2 LYS 71 2HG LYS 71 -12.743 -3.604 6.299 558 HG3 LYS 71 1HG LYS 71 -14.393 -3.462 6.908 559 HD2 LYS 71 2HD LYS 71 -15.242 -3.624 4.602 560 HD3 LYS 71 1HD LYS 71 -13.589 -3.799 4.012 561 HE2 LYS 71 2HE LYS 71 -13.343 -5.854 5.317 562 HE3 LYS 71 1HE LYS 71 -14.996 -5.677 5.906 563 HZ1 LYS 71 3HZ LYS 71 -14.926 -7.228 4.083 564 HZ2 LYS 71 1HZ LYS 71 -14.182 -6.095 3.073 565 HZ3 LYS 71 2HZ LYS 71 -15.766 -5.846 3.598 566 H ALA 72 HN ALA 72 -11.042 0.488 4.452 567 HA ALA 72 HA ALA 72 -12.982 2.616 3.910 568 HB1 ALA 72 1HB ALA 72 -11.117 4.160 4.342 569 HB2 ALA 72 2HB ALA 72 -10.036 2.786 4.574 570 HB3 ALA 72 3HB ALA 72 -11.364 3.062 5.700 571 H ARG 73 HN ARG 73 -11.702 0.359 2.209 572 HA ARG 73 HA ARG 73 -11.292 -0.007 0.033 573 HB2 ARG 73 2HB ARG 73 -12.138 2.870 -0.190 574 HB3 ARG 73 1HB ARG 73 -11.629 1.942 -1.594 575 HG2 ARG 73 2HG ARG 73 -13.408 0.332 -1.201 576 HG3 ARG 73 1HG ARG 73 -13.899 1.211 0.246 577 HD2 ARG 73 2HD ARG 73 -13.819 2.477 -2.479 578 HD3 ARG 73 1HD ARG 73 -15.243 1.643 -1.863 579 HE ARG 73 HE ARG 73 -14.803 3.359 0.106 580 HH11 ARG 73 1HH1 ARG 73 -14.609 3.941 -3.349 581 HH12 ARG 73 2HH1 ARG 73 -15.262 5.541 -3.242 582 HH21 ARG 73 1HH2 ARG 73 -15.639 5.494 0.248 583 HH22 ARG 73 2HH2 ARG 73 -15.840 6.432 -1.194 584 H GLY 74 HN GLY 74 -9.294 1.206 1.991 585 HA2 GLY 74 2HA GLY 74 -6.982 1.191 1.858 586 HA3 GLY 74 1HA GLY 74 -7.112 1.119 0.109 587 H ASP 75 HN ASP 75 -9.032 3.616 1.157 588 HA ASP 75 HA ASP 75 -7.200 5.556 0.128 589 HB2 ASP 75 2HB ASP 75 -9.545 5.901 -0.287 590 HB3 ASP 75 1HB ASP 75 -9.903 5.880 1.436 591 H LEU 76 HN LEU 76 -5.916 6.927 1.139 592 HA LEU 76 HA LEU 76 -5.730 6.721 4.058 593 HB2 LEU 76 2HB LEU 76 -3.777 6.331 2.341 594 HB3 LEU 76 1HB LEU 76 -3.720 8.077 2.281 595 HG LEU 76 HG LEU 76 -3.451 6.578 4.883 596 HD11 LEU 76 1HD1 LEU 76 -1.254 7.369 2.977 597 HD12 LEU 76 2HD1 LEU 76 -1.767 5.722 3.341 598 HD13 LEU 76 3HD1 LEU 76 -1.029 6.711 4.597 599 HD21 LEU 76 3HD2 LEU 76 -2.296 8.604 5.595 600 HD22 LEU 76 1HD2 LEU 76 -3.906 8.996 4.993 601 HD23 LEU 76 2HD2 LEU 76 -2.490 9.298 3.986 602 H GLY 77 HN GLY 77 -6.679 8.743 1.482 603 HA2 GLY 77 2HA GLY 77 -7.828 10.744 1.624 604 HA3 GLY 77 1HA GLY 77 -7.366 10.872 3.316 605 H ALA 78 HN ALA 78 -7.121 13.153 2.300 606 HA ALA 78 HA ALA 78 -4.580 13.490 0.943 607 HB1 ALA 78 1HB ALA 78 -5.176 15.853 0.826 608 HB2 ALA 78 2HB ALA 78 -6.583 15.560 1.847 609 HB3 ALA 78 3HB ALA 78 -6.498 14.846 0.237 610 H PHE 79 HN PHE 79 -2.752 14.076 1.875 611 HA PHE 79 HA PHE 79 -2.819 15.115 4.608 612 HB2 PHE 79 2HB PHE 79 -0.741 13.701 5.060 613 HB3 PHE 79 1HB PHE 79 -2.271 12.841 5.000 614 HD1 PHE 79 2HD PHE 79 -2.788 11.369 3.112 615 HD2 PHE 79 1HD PHE 79 0.976 13.324 3.424 616 HE1 PHE 79 2HE PHE 79 -1.857 9.827 1.440 617 HE2 PHE 79 1HE PHE 79 1.914 11.781 1.750 618 HZ PHE 79 HZ PHE 79 0.499 10.032 0.759 619 H SER 80 HN SER 80 -0.924 16.335 5.192 620 HA SER 80 HA SER 80 0.123 17.711 2.857 621 HB2 SER 80 2HB SER 80 0.859 19.395 4.621 622 HB3 SER 80 1HB SER 80 -0.879 19.199 4.383 623 HG SER 80 HG SER 80 -0.901 18.839 6.455 624 H ARG 81 HN ARG 81 1.639 17.327 6.030 625 HA ARG 81 HA ARG 81 3.776 15.717 5.022 626 HB2 ARG 81 2HB ARG 81 5.574 17.383 5.342 627 HB3 ARG 81 1HB ARG 81 4.483 17.818 4.041 628 HG2 ARG 81 2HG ARG 81 3.300 19.264 5.829 629 HG3 ARG 81 1HG ARG 81 4.798 19.068 6.740 630 HD2 ARG 81 2HD ARG 81 4.494 20.254 3.981 631 HD3 ARG 81 1HD ARG 81 4.877 21.118 5.463 632 HE ARG 81 HE ARG 81 7.007 19.926 5.493 633 HH11 ARG 81 1HH1 ARG 81 5.227 19.937 2.451 634 HH12 ARG 81 2HH1 ARG 81 6.638 19.763 1.471 635 HH21 ARG 81 1HH2 ARG 81 8.888 19.683 4.170 636 HH22 ARG 81 2HH2 ARG 81 8.726 19.620 2.452 637 H GLY 82 HN GLY 82 4.826 14.694 6.602 638 HA2 GLY 82 2HA GLY 82 5.565 14.190 8.743 639 HA3 GLY 82 1HA GLY 82 4.889 15.710 9.312 640 H GLN 83 HN GLN 83 2.819 13.768 7.434 641 HA GLN 83 HA GLN 83 1.248 13.184 9.850 642 HB2 GLN 83 2HB GLN 83 0.354 13.337 6.967 643 HB3 GLN 83 1HB GLN 83 -0.690 13.070 8.355 644 HG2 GLN 83 2HG GLN 83 0.920 15.557 7.811 645 HG3 GLN 83 1HG GLN 83 -0.815 15.369 7.562 646 HE21 GLN 83 1HE2 GLN 83 -2.170 15.291 9.341 647 HE22 GLN 83 2HE2 GLN 83 -1.665 15.790 10.915 648 H MET 84 HN MET 84 2.582 11.790 6.922 649 HA MET 84 HA MET 84 1.877 9.123 7.964 650 HB2 MET 84 2HB MET 84 0.576 9.638 5.957 651 HB3 MET 84 1HB MET 84 2.039 10.041 5.081 652 HG2 MET 84 2HG MET 84 1.047 7.818 4.540 653 HG3 MET 84 1HG MET 84 2.738 7.783 5.025 654 HE1 MET 84 3HE MET 84 -0.615 6.678 8.026 655 HE2 MET 84 1HE MET 84 -0.979 7.298 6.418 656 HE3 MET 84 2HE MET 84 -0.173 8.329 7.595 657 H GLN 85 HN GLN 85 3.412 7.419 7.427 658 HA GLN 85 HA GLN 85 6.003 7.940 8.155 659 HB2 GLN 85 2HB GLN 85 5.053 5.700 6.365 660 HB3 GLN 85 1HB GLN 85 6.602 5.742 7.193 661 HG2 GLN 85 2HG GLN 85 3.872 5.602 8.445 662 HG3 GLN 85 1HG GLN 85 5.102 4.341 8.416 663 HE21 GLN 85 1HE2 GLN 85 6.934 4.567 9.724 664 HE22 GLN 85 2HE2 GLN 85 6.952 5.636 11.081 665 H LYS 86 HN LYS 86 7.854 8.494 7.221 666 HA LYS 86 HA LYS 86 7.916 10.156 5.046 667 HB2 LYS 86 2HB LYS 86 9.665 9.824 6.882 668 HB3 LYS 86 1HB LYS 86 10.312 8.530 5.891 669 HG2 LYS 86 2HG LYS 86 9.992 11.324 4.832 670 HG3 LYS 86 1HG LYS 86 11.418 10.829 5.739 671 HD2 LYS 86 2HD LYS 86 11.798 9.032 4.074 672 HD3 LYS 86 1HD LYS 86 10.418 9.635 3.151 673 HE2 LYS 86 2HE LYS 86 11.541 11.799 2.900 674 HE3 LYS 86 1HE LYS 86 12.917 11.190 3.814 675 HZ1 LYS 86 3HZ LYS 86 13.469 11.013 1.545 676 HZ2 LYS 86 1HZ LYS 86 11.984 10.315 1.135 677 HZ3 LYS 86 2HZ LYS 86 13.110 9.439 2.043 678 HA PRO 87 HA PRO 87 9.714 6.464 2.237 679 HB2 PRO 87 2HB PRO 87 8.412 4.082 2.899 680 HB3 PRO 87 1HB PRO 87 10.092 4.476 3.276 681 HG2 PRO 87 2HG PRO 87 7.656 4.718 4.994 682 HG3 PRO 87 1HG PRO 87 9.285 4.171 5.429 683 HD2 PRO 87 2HD PRO 87 8.471 6.604 6.094 684 HD3 PRO 87 1HD PRO 87 10.126 6.347 5.494 685 H PHE 88 HN PHE 88 6.482 6.786 3.514 686 HA PHE 88 HA PHE 88 5.307 6.033 0.937 687 HB2 PHE 88 2HB PHE 88 4.362 5.025 3.009 688 HB3 PHE 88 1HB PHE 88 3.939 6.637 3.573 689 HD1 PHE 88 1HD PHE 88 2.247 7.974 2.240 690 HD2 PHE 88 2HD PHE 88 2.952 3.832 1.582 691 HE1 PHE 88 1HE PHE 88 0.087 7.797 1.082 692 HE2 PHE 88 2HE PHE 88 0.792 3.649 0.419 693 HZ PHE 88 HZ PHE 88 -0.641 5.634 0.167 694 H GLU 89 HN GLU 89 5.136 8.616 3.360 695 HA GLU 89 HA GLU 89 3.486 10.360 1.932 696 HB2 GLU 89 2HB GLU 89 4.000 10.460 4.371 697 HB3 GLU 89 1HB GLU 89 5.589 11.086 3.969 698 HG2 GLU 89 2HG GLU 89 4.535 13.027 2.902 699 HG3 GLU 89 1HG GLU 89 2.955 12.405 3.374 700 H ASP 90 HN ASP 90 7.019 10.253 2.184 701 HA ASP 90 HA ASP 90 7.570 12.541 0.658 702 HB2 ASP 90 2HB ASP 90 9.269 11.594 2.050 703 HB3 ASP 90 1HB ASP 90 9.196 10.062 1.193 704 H ALA 91 HN ALA 91 7.311 9.146 -0.301 705 HA ALA 91 HA ALA 91 8.047 9.537 -3.001 706 HB1 ALA 91 1HB ALA 91 7.170 7.296 -3.378 707 HB2 ALA 91 2HB ALA 91 6.378 7.330 -1.802 708 HB3 ALA 91 3HB ALA 91 8.138 7.352 -1.905 709 H SER 92 HN SER 92 5.101 10.054 -1.291 710 HA SER 92 HA SER 92 3.286 9.836 -3.440 711 HB2 SER 92 2HB SER 92 3.111 11.407 -0.866 712 HB3 SER 92 1HB SER 92 1.764 11.160 -1.980 713 HG SER 92 HG SER 92 3.231 9.118 -0.633 714 H PHE 93 HN PHE 93 5.511 12.325 -2.527 715 HA PHE 93 HA PHE 93 4.202 14.380 -4.077 716 HB2 PHE 93 2HB PHE 93 6.934 14.294 -2.785 717 HB3 PHE 93 1HB PHE 93 6.261 15.703 -3.595 718 HD1 PHE 93 2HD PHE 93 4.245 16.811 -2.645 719 HD2 PHE 93 1HD PHE 93 6.344 13.749 -0.579 720 HE1 PHE 93 2HE PHE 93 3.173 17.501 -0.543 721 HE2 PHE 93 1HE PHE 93 5.276 14.429 1.525 722 HZ PHE 93 HZ PHE 93 3.690 16.308 1.546 723 H ALA 94 HN ALA 94 6.615 11.951 -4.544 724 HA ALA 94 HA ALA 94 7.675 13.092 -6.967 725 HB1 ALA 94 1HB ALA 94 8.980 11.036 -7.120 726 HB2 ALA 94 2HB ALA 94 8.048 10.334 -5.797 727 HB3 ALA 94 3HB ALA 94 9.087 11.727 -5.500 728 H LEU 95 HN LEU 95 5.182 10.855 -6.068 729 HA LEU 95 HA LEU 95 4.824 9.828 -8.742 730 HB2 LEU 95 2HB LEU 95 3.100 9.572 -6.279 731 HB3 LEU 95 1HB LEU 95 2.830 8.725 -7.787 732 HG LEU 95 HG LEU 95 5.240 8.372 -6.006 733 HD11 LEU 95 1HD1 LEU 95 3.181 7.534 -4.994 734 HD12 LEU 95 2HD1 LEU 95 4.263 6.221 -5.452 735 HD13 LEU 95 3HD1 LEU 95 2.853 6.588 -6.445 736 HD21 LEU 95 3HD2 LEU 95 5.710 6.439 -7.445 737 HD22 LEU 95 1HD2 LEU 95 5.749 7.951 -8.352 738 HD23 LEU 95 2HD2 LEU 95 4.352 6.882 -8.477 739 H ARG 96 HN ARG 96 3.485 10.587 -10.250 740 HA ARG 96 HA ARG 96 1.892 12.949 -9.589 741 HB2 ARG 96 2HB ARG 96 2.644 11.743 -12.254 742 HB3 ARG 96 1HB ARG 96 1.685 13.198 -12.048 743 HG2 ARG 96 2HG ARG 96 3.586 14.277 -10.934 744 HG3 ARG 96 1HG ARG 96 4.546 12.821 -11.198 745 HD2 ARG 96 2HD ARG 96 5.048 14.455 -12.913 746 HD3 ARG 96 1HD ARG 96 4.211 13.076 -13.626 747 HE ARG 96 HE ARG 96 2.563 15.337 -12.855 748 HH11 ARG 96 1HH1 ARG 96 4.239 13.660 -15.441 749 HH12 ARG 96 2HH1 ARG 96 3.338 14.422 -16.698 750 HH21 ARG 96 1HH2 ARG 96 1.358 16.355 -14.525 751 HH22 ARG 96 2HH2 ARG 96 1.682 15.961 -16.175 752 H THR 97 HN THR 97 -0.241 13.079 -10.826 753 HA THR 97 HA THR 97 -2.002 11.176 -9.851 754 HB THR 97 HB THR 97 -2.449 12.967 -12.247 755 HG1 THR 97 1HG THR 97 -3.184 13.643 -9.586 756 HG21 THR 97 3HG2 THR 97 -4.797 12.895 -11.549 757 HG22 THR 97 1HG2 THR 97 -4.377 11.806 -10.228 758 HG23 THR 97 2HG2 THR 97 -4.196 11.275 -11.900 759 H GLY 98 HN GLY 98 -2.047 9.077 -10.386 760 HA2 GLY 98 2HA GLY 98 -2.906 7.525 -12.064 761 HA3 GLY 98 1HA GLY 98 -1.959 8.399 -13.256 762 H GLU 99 HN GLU 99 0.155 8.449 -10.911 763 HA GLU 99 HA GLU 99 1.437 6.012 -11.850 764 HB2 GLU 99 2HB GLU 99 2.547 8.227 -10.124 765 HB3 GLU 99 1HB GLU 99 3.468 6.896 -10.808 766 HG2 GLU 99 2HG GLU 99 2.765 7.732 -13.078 767 HG3 GLU 99 1HG GLU 99 2.148 9.167 -12.263 768 H MET 100 HN MET 100 2.450 4.528 -10.396 769 HA MET 100 HA MET 100 1.428 4.512 -7.662 770 HB2 MET 100 2HB MET 100 -0.221 3.257 -8.987 771 HB3 MET 100 1HB MET 100 1.054 2.223 -9.606 772 HG2 MET 100 2HG MET 100 1.464 1.357 -7.373 773 HG3 MET 100 1HG MET 100 0.229 2.430 -6.718 774 HE1 MET 100 3HE MET 100 -0.628 -1.109 -9.558 775 HE2 MET 100 1HE MET 100 0.974 -0.691 -8.954 776 HE3 MET 100 2HE MET 100 0.159 0.371 -10.104 777 H SER 101 HN SER 101 2.908 3.845 -6.265 778 HA SER 101 HA SER 101 5.522 3.085 -7.203 779 HB2 SER 101 2HB SER 101 5.352 4.605 -5.308 780 HB3 SER 101 1HB SER 101 4.398 3.428 -4.409 781 HG SER 101 HG SER 101 6.170 2.191 -4.116 782 H GLY 102 HN GLY 102 6.655 1.188 -6.458 783 HA2 GLY 102 2HA GLY 102 4.966 -1.157 -6.542 784 HA3 GLY 102 1HA GLY 102 6.725 -1.125 -6.569 785 HA PRO 103 HA PRO 103 5.464 -2.692 -2.429 786 HB2 PRO 103 2HB PRO 103 7.536 -4.443 -2.186 787 HB3 PRO 103 1HB PRO 103 6.023 -4.838 -3.007 788 HG2 PRO 103 2HG PRO 103 8.652 -4.015 -4.170 789 HG3 PRO 103 1HG PRO 103 7.518 -5.255 -4.733 790 HD2 PRO 103 2HD PRO 103 7.690 -2.795 -5.861 791 HD3 PRO 103 1HD PRO 103 6.176 -3.720 -5.799 792 H VAL 104 HN VAL 104 5.935 -0.936 -1.165 793 HA VAL 104 HA VAL 104 8.707 -0.217 -0.673 794 HB VAL 104 HB VAL 104 6.168 0.885 0.571 795 HG11 VAL 104 1HG1 VAL 104 8.998 1.928 0.664 796 HG12 VAL 104 2HG1 VAL 104 8.109 1.214 2.009 797 HG13 VAL 104 3HG1 VAL 104 7.579 2.747 1.316 798 HG21 VAL 104 3HG2 VAL 104 6.516 2.814 -0.907 799 HG22 VAL 104 1HG2 VAL 104 6.268 1.328 -1.824 800 HG23 VAL 104 2HG2 VAL 104 7.891 1.993 -1.646 801 H PHE 105 HN PHE 105 9.824 -1.438 0.686 802 HA PHE 105 HA PHE 105 8.468 -3.154 2.575 803 HB2 PHE 105 2HB PHE 105 11.416 -2.864 1.985 804 HB3 PHE 105 1HB PHE 105 10.684 -4.121 2.974 805 HD1 PHE 105 1HD PHE 105 8.983 -5.657 1.845 806 HD2 PHE 105 2HD PHE 105 11.669 -3.155 -0.302 807 HE1 PHE 105 1HE PHE 105 8.677 -7.051 -0.154 808 HE2 PHE 105 2HE PHE 105 11.366 -4.543 -2.308 809 HZ PHE 105 HZ PHE 105 9.868 -6.493 -2.237 810 H THR 106 HN THR 106 8.088 -2.674 4.596 811 HA THR 106 HA THR 106 9.978 -1.042 6.109 812 HB THR 106 HB THR 106 7.984 0.129 7.194 813 HG1 THR 106 1HG THR 106 6.714 -1.384 5.306 814 HG21 THR 106 3HG2 THR 106 7.824 1.855 5.453 815 HG22 THR 106 1HG2 THR 106 8.537 0.742 4.284 816 HG23 THR 106 2HG2 THR 106 9.489 1.307 5.656 817 H ASP 107 HN ASP 107 9.046 -1.028 8.529 818 HA ASP 107 HA ASP 107 9.026 -3.750 9.350 819 HB2 ASP 107 2HB ASP 107 8.702 -1.149 10.819 820 HB3 ASP 107 1HB ASP 107 8.478 -2.688 11.641 821 H SER 108 HN SER 108 6.586 -1.347 8.842 822 HA SER 108 HA SER 108 4.510 -2.838 10.134 823 HB2 SER 108 2HB SER 108 3.052 -1.055 9.026 824 HB3 SER 108 1HB SER 108 4.247 -0.490 10.195 825 HG SER 108 HG SER 108 5.353 0.453 8.650 826 H GLY 109 HN GLY 109 6.136 -3.519 7.435 827 HA2 GLY 109 2HA GLY 109 5.338 -5.459 6.193 828 HA3 GLY 109 1HA GLY 109 3.755 -4.697 6.160 829 H ILE 110 HN ILE 110 3.816 -5.010 3.883 830 HA ILE 110 HA ILE 110 5.670 -3.288 2.411 831 HB ILE 110 HB ILE 110 3.674 -5.322 1.384 832 HG12 ILE 110 2HG1 ILE 110 6.688 -5.502 1.626 833 HG13 ILE 110 1HG1 ILE 110 5.534 -6.332 2.661 834 HG21 ILE 110 1HG2 ILE 110 5.841 -3.799 -0.062 835 HG22 ILE 110 2HG2 ILE 110 4.103 -3.557 -0.237 836 HG23 ILE 110 3HG2 ILE 110 4.841 -5.072 -0.761 837 HD11 ILE 110 3HD1 ILE 110 6.448 -7.828 0.985 838 HD12 ILE 110 1HD1 ILE 110 5.882 -6.759 -0.298 839 HD13 ILE 110 2HD1 ILE 110 4.718 -7.591 0.732 840 H HIS 111 HN HIS 111 5.026 -1.398 1.593 841 HA HIS 111 HA HIS 111 2.150 -0.758 1.730 842 HB2 HIS 111 2HB HIS 111 4.550 1.080 1.904 843 HB3 HIS 111 1HB HIS 111 2.886 1.636 1.813 844 HD1 HIS 111 1HD HIS 111 2.148 2.394 4.054 845 HD2 HIS 111 2HD HIS 111 4.671 -0.899 4.297 846 HE1 HIS 111 1HE HIS 111 2.363 1.885 6.500 847 HE2 HIS 111 2HE HIS 111 4.086 0.061 6.625 848 H ILE 112 HN ILE 112 1.137 -0.494 -0.140 849 HA ILE 112 HA ILE 112 2.711 0.161 -2.535 850 HB ILE 112 HB ILE 112 -0.171 -0.771 -2.351 851 HG12 ILE 112 2HG1 ILE 112 2.323 -2.283 -3.171 852 HG13 ILE 112 1HG1 ILE 112 1.409 -2.536 -1.690 853 HG21 ILE 112 1HG2 ILE 112 1.611 -0.388 -4.754 854 HG22 ILE 112 2HG2 ILE 112 0.224 0.607 -4.314 855 HG23 ILE 112 3HG2 ILE 112 -0.014 -1.077 -4.782 856 HD11 ILE 112 3HD1 ILE 112 0.916 -4.253 -3.333 857 HD12 ILE 112 1HD1 ILE 112 0.411 -3.022 -4.489 858 HD13 ILE 112 2HD1 ILE 112 -0.512 -3.274 -3.009 859 H ILE 113 HN ILE 113 2.500 2.117 -3.489 860 HA ILE 113 HA ILE 113 0.639 4.014 -2.209 861 HB ILE 113 HB ILE 113 3.104 4.797 -3.757 862 HG12 ILE 113 2HG1 ILE 113 2.928 4.333 -0.769 863 HG13 ILE 113 1HG1 ILE 113 3.761 3.276 -1.902 864 HG21 ILE 113 1HG2 ILE 113 1.476 6.209 -1.646 865 HG22 ILE 113 2HG2 ILE 113 1.454 6.540 -3.378 866 HG23 ILE 113 3HG2 ILE 113 2.912 6.856 -2.439 867 HD11 ILE 113 3HD1 ILE 113 5.321 4.714 -0.738 868 HD12 ILE 113 1HD1 ILE 113 4.459 6.143 -1.309 869 HD13 ILE 113 2HD1 ILE 113 5.292 5.097 -2.459 870 H LEU 114 HN LEU 114 -1.117 4.197 -3.503 871 HA LEU 114 HA LEU 114 -0.656 4.489 -6.395 872 HB2 LEU 114 2HB LEU 114 -2.331 2.767 -5.386 873 HB3 LEU 114 1HB LEU 114 -3.354 4.159 -5.105 874 HG LEU 114 HG LEU 114 -2.335 3.388 -7.843 875 HD11 LEU 114 1HD1 LEU 114 -4.970 2.726 -6.549 876 HD12 LEU 114 2HD1 LEU 114 -3.695 1.584 -6.972 877 HD13 LEU 114 3HD1 LEU 114 -4.556 2.453 -8.242 878 HD21 LEU 114 3HD2 LEU 114 -3.027 5.727 -7.613 879 HD22 LEU 114 1HD2 LEU 114 -4.585 5.204 -6.978 880 HD23 LEU 114 2HD2 LEU 114 -4.140 4.825 -8.641 881 H ARG 115 HN ARG 115 -0.539 6.502 -7.089 882 HA ARG 115 HA ARG 115 -1.399 8.709 -5.448 883 HB2 ARG 115 2HB ARG 115 0.705 8.621 -6.841 884 HB3 ARG 115 1HB ARG 115 -0.316 8.764 -8.262 885 HG2 ARG 115 2HG ARG 115 0.582 10.904 -7.734 886 HG3 ARG 115 1HG ARG 115 -1.148 10.917 -7.386 887 HD2 ARG 115 2HD ARG 115 -0.757 10.734 -5.042 888 HD3 ARG 115 1HD ARG 115 0.958 10.404 -5.296 889 HE ARG 115 HE ARG 115 1.333 12.631 -5.626 890 HH11 ARG 115 1HH1 ARG 115 -2.077 12.024 -5.306 891 HH12 ARG 115 2HH1 ARG 115 -2.535 13.694 -5.437 892 HH21 ARG 115 1HH2 ARG 115 0.774 14.853 -5.734 893 HH22 ARG 115 2HH2 ARG 115 -0.892 15.317 -5.631 894 H THR 116 HN THR 116 -3.517 9.224 -5.405 895 HA THR 116 HA THR 116 -5.149 8.685 -7.750 896 HB THR 116 HB THR 116 -7.031 9.318 -6.085 897 HG1 THR 116 1HG THR 116 -5.797 8.479 -3.929 898 HG21 THR 116 3HG2 THR 116 -5.338 6.847 -5.665 899 HG22 THR 116 1HG2 THR 116 -6.591 7.041 -6.891 900 HG23 THR 116 2HG2 THR 116 -7.024 7.035 -5.182 901 H GLU 117 HN GLU 117 -4.976 11.392 -5.398 902 HA GLU 117 HA GLU 117 -6.345 13.075 -7.333 903 HB2 GLU 117 2HB GLU 117 -5.474 13.634 -4.500 904 HB3 GLU 117 1HB GLU 117 -6.377 14.751 -5.506 905 HG2 GLU 117 2HG GLU 117 -7.336 12.017 -4.692 906 HG3 GLU 117 1HG GLU 117 -7.780 13.529 -3.899 Start of MODEL 8 1 H1 GLY 1 1HT GLY 1 0.503 28.618 -14.187 2 H2 GLY 1 2HT GLY 1 -0.873 27.643 -14.140 3 H3 GLY 1 3HT GLY 1 -0.735 28.855 -15.313 4 HA2 GLY 1 1HA GLY 1 -0.326 26.705 -16.292 5 HA3 GLY 1 2HA GLY 1 1.111 27.715 -16.340 6 H SER 2 HN SER 2 2.801 27.306 -14.853 7 HA SER 2 HA SER 2 3.389 24.593 -14.474 8 HB2 SER 2 2HB SER 2 5.062 26.443 -14.728 9 HB3 SER 2 1HB SER 2 4.662 26.973 -13.097 10 HG SER 2 HG SER 2 6.059 25.573 -12.432 11 H HIS 3 HN HIS 3 2.403 23.285 -13.051 12 HA HIS 3 HA HIS 3 1.016 24.311 -10.779 13 HB2 HIS 3 2HB HIS 3 0.294 22.097 -10.324 14 HB3 HIS 3 1HB HIS 3 0.383 22.189 -12.074 15 HD1 HIS 3 1HD HIS 3 2.158 20.671 -9.104 16 HD2 HIS 3 2HD HIS 3 2.119 20.370 -13.250 17 HE1 HIS 3 1HE HIS 3 3.545 18.651 -9.649 18 HE2 HIS 3 2HE HIS 3 3.692 18.634 -12.159 19 H MET 4 HN MET 4 1.502 24.153 -8.635 20 HA MET 4 HA MET 4 4.316 24.115 -8.005 21 HB2 MET 4 2HB MET 4 3.638 24.874 -5.817 22 HB3 MET 4 1HB MET 4 2.734 25.773 -7.023 23 HG2 MET 4 2HG MET 4 1.683 23.425 -5.449 24 HG3 MET 4 1HG MET 4 1.357 25.120 -5.099 25 HE1 MET 4 3HE MET 4 -1.268 24.452 -5.100 26 HE2 MET 4 1HE MET 4 -0.841 22.792 -5.518 27 HE3 MET 4 2HE MET 4 -2.058 23.655 -6.461 28 H GLU 5 HN GLU 5 4.852 22.963 -5.816 29 HA GLU 5 HA GLU 5 4.077 20.172 -6.122 30 HB2 GLU 5 2HB GLU 5 6.494 20.954 -5.803 31 HB3 GLU 5 1HB GLU 5 6.051 21.327 -4.145 32 HG2 GLU 5 2HG GLU 5 7.128 19.186 -4.215 33 HG3 GLU 5 1HG GLU 5 5.427 18.964 -3.810 34 HA PRO 6 HA PRO 6 1.037 21.171 -2.959 35 HB2 PRO 6 2HB PRO 6 -0.350 18.855 -3.130 36 HB3 PRO 6 1HB PRO 6 -0.512 20.151 -4.322 37 HG2 PRO 6 2HG PRO 6 1.085 17.627 -4.475 38 HG3 PRO 6 1HG PRO 6 0.087 18.398 -5.720 39 HD2 PRO 6 2HD PRO 6 2.794 18.624 -5.632 40 HD3 PRO 6 1HD PRO 6 1.737 19.885 -6.301 41 H ALA 7 HN ALA 7 0.993 20.809 -0.824 42 HA ALA 7 HA ALA 7 2.818 18.840 0.277 43 HB1 ALA 7 1HB ALA 7 2.374 19.917 2.417 44 HB2 ALA 7 2HB ALA 7 1.096 20.884 1.682 45 HB3 ALA 7 3HB ALA 7 2.773 21.124 1.193 46 H ARG 8 HN ARG 8 -0.465 19.163 -0.454 47 HA ARG 8 HA ARG 8 -1.192 16.914 1.284 48 HB2 ARG 8 2HB ARG 8 -2.924 18.917 -0.168 49 HB3 ARG 8 1HB ARG 8 -3.543 17.535 0.718 50 HG2 ARG 8 2HG ARG 8 -2.557 18.432 2.776 51 HG3 ARG 8 1HG ARG 8 -1.988 19.836 1.868 52 HD2 ARG 8 2HD ARG 8 -4.281 20.415 1.300 53 HD3 ARG 8 1HD ARG 8 -4.866 18.992 2.162 54 HE ARG 8 HE ARG 8 -3.308 20.587 3.879 55 HH11 ARG 8 1HH1 ARG 8 -6.436 20.554 2.305 56 HH12 ARG 8 2HH1 ARG 8 -7.201 21.519 3.516 57 HH21 ARG 8 1HH2 ARG 8 -4.319 21.872 5.489 58 HH22 ARG 8 2HH2 ARG 8 -5.991 22.274 5.331 59 H VAL 9 HN VAL 9 -1.184 15.012 0.352 60 HA VAL 9 HA VAL 9 -1.881 14.836 -2.497 61 HB VAL 9 HB VAL 9 -0.334 12.890 -2.683 62 HG11 VAL 9 1HG1 VAL 9 0.374 15.077 -3.467 63 HG12 VAL 9 2HG1 VAL 9 1.740 14.199 -2.778 64 HG13 VAL 9 3HG1 VAL 9 0.961 15.485 -1.856 65 HG21 VAL 9 3HG2 VAL 9 1.403 12.577 -0.968 66 HG22 VAL 9 1HG2 VAL 9 -0.211 12.265 -0.330 67 HG23 VAL 9 2HG2 VAL 9 0.606 13.782 0.046 68 H ARG 10 HN ARG 10 -3.058 13.021 -3.134 69 HA ARG 10 HA ARG 10 -4.368 11.636 -0.898 70 HB2 ARG 10 2HB ARG 10 -5.906 12.816 -2.382 71 HB3 ARG 10 1HB ARG 10 -5.249 11.950 -3.767 72 HG2 ARG 10 2HG ARG 10 -6.087 9.857 -2.923 73 HG3 ARG 10 1HG ARG 10 -6.646 10.643 -1.445 74 HD2 ARG 10 2HD ARG 10 -8.166 12.025 -2.790 75 HD3 ARG 10 1HD ARG 10 -7.636 11.173 -4.239 76 HE ARG 10 HE ARG 10 -8.550 9.328 -2.297 77 HH11 ARG 10 1HH1 ARG 10 -9.717 11.726 -4.592 78 HH12 ARG 10 2HH1 ARG 10 -11.265 10.968 -4.790 79 HH21 ARG 10 1HH2 ARG 10 -10.589 8.342 -2.528 80 HH22 ARG 10 2HH2 ARG 10 -11.768 9.014 -3.612 81 H CYS 11 HN CYS 11 -3.434 9.784 -0.452 82 HA CYS 11 HA CYS 11 -2.753 8.044 -2.706 83 HB2 CYS 11 2HB CYS 11 -1.151 8.401 -0.178 84 HB3 CYS 11 1HB CYS 11 -0.818 7.219 -1.435 85 HG CYS 11 HG CYS 11 1.042 9.271 -1.608 86 H SER 12 HN SER 12 -3.523 6.090 -2.606 87 HA SER 12 HA SER 12 -4.871 5.204 -0.175 88 HB2 SER 12 2HB SER 12 -4.892 3.909 -2.909 89 HB3 SER 12 1HB SER 12 -6.042 3.671 -1.592 90 HG SER 12 HG SER 12 -6.205 6.185 -1.992 91 H HIS 13 HN HIS 13 -4.259 3.242 0.842 92 HA HIS 13 HA HIS 13 -1.814 2.031 -0.218 93 HB2 HIS 13 2HB HIS 13 -0.715 2.019 1.970 94 HB3 HIS 13 1HB HIS 13 -1.037 3.648 1.412 95 HD1 HIS 13 1HD HIS 13 -0.467 3.167 4.376 96 HD2 HIS 13 2HD HIS 13 -4.307 3.172 2.779 97 HE1 HIS 13 1HE HIS 13 -1.994 3.692 6.289 98 HE2 HIS 13 2HE HIS 13 -4.310 3.461 5.343 99 H LEU 14 HN LEU 14 -1.773 -0.040 -0.262 100 HA LEU 14 HA LEU 14 -3.632 -1.596 1.409 101 HB2 LEU 14 2HB LEU 14 -3.766 -1.826 -1.102 102 HB3 LEU 14 1HB LEU 14 -2.123 -2.421 -1.097 103 HG LEU 14 HG LEU 14 -4.257 -3.874 0.451 104 HD11 LEU 14 1HD1 LEU 14 -3.638 -4.208 -2.484 105 HD12 LEU 14 2HD1 LEU 14 -5.139 -3.573 -1.809 106 HD13 LEU 14 3HD1 LEU 14 -4.682 -5.252 -1.521 107 HD21 LEU 14 3HD2 LEU 14 -2.823 -5.805 -0.013 108 HD22 LEU 14 1HD2 LEU 14 -1.914 -4.526 0.791 109 HD23 LEU 14 2HD2 LEU 14 -1.732 -4.781 -0.946 110 H LEU 15 HN LEU 15 -2.762 -3.264 2.715 111 HA LEU 15 HA LEU 15 0.180 -3.278 2.893 112 HB2 LEU 15 2HB LEU 15 -0.607 -2.026 4.765 113 HB3 LEU 15 1HB LEU 15 -1.824 -3.228 5.142 114 HG LEU 15 HG LEU 15 -0.061 -4.815 5.801 115 HD11 LEU 15 1HD1 LEU 15 1.827 -2.540 5.249 116 HD12 LEU 15 2HD1 LEU 15 1.735 -4.068 4.371 117 HD13 LEU 15 3HD1 LEU 15 2.247 -4.048 6.058 118 HD21 LEU 15 3HD2 LEU 15 0.718 -3.607 7.826 119 HD22 LEU 15 1HD2 LEU 15 -1.014 -3.469 7.535 120 HD23 LEU 15 2HD2 LEU 15 0.051 -2.123 7.145 121 H VAL 16 HN VAL 16 1.152 -5.175 2.920 122 HA VAL 16 HA VAL 16 -0.487 -7.570 3.376 123 HB VAL 16 HB VAL 16 0.340 -7.406 1.035 124 HG11 VAL 16 1HG1 VAL 16 3.088 -7.578 2.259 125 HG12 VAL 16 2HG1 VAL 16 2.394 -6.154 1.490 126 HG13 VAL 16 3HG1 VAL 16 2.709 -7.605 0.536 127 HG21 VAL 16 3HG2 VAL 16 1.642 -9.618 2.623 128 HG22 VAL 16 1HG2 VAL 16 1.322 -9.644 0.891 129 HG23 VAL 16 2HG2 VAL 16 -0.020 -9.611 2.037 130 H LYS 17 HN LYS 17 0.138 -8.903 4.959 131 HA LYS 17 HA LYS 17 2.537 -8.204 6.456 132 HB2 LYS 17 2HB LYS 17 0.253 -10.085 7.052 133 HB3 LYS 17 1HB LYS 17 1.690 -9.979 8.058 134 HG2 LYS 17 2HG LYS 17 -0.201 -7.703 7.486 135 HG3 LYS 17 1HG LYS 17 -0.189 -8.681 8.954 136 HD2 LYS 17 2HD LYS 17 2.140 -7.944 9.375 137 HD3 LYS 17 1HD LYS 17 2.041 -6.905 7.953 138 HE2 LYS 17 2HE LYS 17 1.627 -5.573 9.906 139 HE3 LYS 17 1HE LYS 17 0.121 -5.737 9.007 140 HZ1 LYS 17 3HZ LYS 17 -0.234 -6.023 11.376 141 HZ2 LYS 17 1HZ LYS 17 0.881 -7.292 11.425 142 HZ3 LYS 17 2HZ LYS 17 -0.567 -7.469 10.572 143 H HIS 18 HN HIS 18 4.023 -9.888 7.156 144 HA HIS 18 HA HIS 18 4.130 -12.214 5.428 145 HB2 HIS 18 2HB HIS 18 6.605 -11.794 5.021 146 HB3 HIS 18 1HB HIS 18 5.501 -10.752 4.141 147 HD1 HIS 18 1HD HIS 18 8.435 -10.652 6.263 148 HD2 HIS 18 2HD HIS 18 5.296 -8.074 5.385 149 HE1 HIS 18 1HE HIS 18 9.203 -8.377 6.984 150 HE2 HIS 18 2HE HIS 18 7.327 -6.823 6.403 151 H SER 19 HN SER 19 5.646 -13.823 6.183 152 HA SER 19 HA SER 19 5.232 -14.607 8.730 153 HB2 SER 19 2HB SER 19 6.187 -16.052 6.991 154 HB3 SER 19 1HB SER 19 7.724 -15.197 7.119 155 HG SER 19 HG SER 19 6.739 -17.201 8.646 156 H GLN 20 HN GLN 20 8.315 -13.095 7.729 157 HA GLN 20 HA GLN 20 8.920 -12.634 10.533 158 HB2 GLN 20 2HB GLN 20 10.585 -12.192 8.055 159 HB3 GLN 20 1HB GLN 20 11.140 -11.937 9.702 160 HG2 GLN 20 2HG GLN 20 10.846 -14.286 10.200 161 HG3 GLN 20 1HG GLN 20 10.196 -14.566 8.587 162 HE21 GLN 20 1HE2 GLN 20 12.538 -15.695 9.944 163 HE22 GLN 20 2HE2 GLN 20 13.881 -15.361 8.908 164 H SER 21 HN SER 21 6.995 -11.112 10.434 165 HA SER 21 HA SER 21 7.943 -8.427 9.692 166 HB2 SER 21 2HB SER 21 5.883 -9.242 8.490 167 HB3 SER 21 1HB SER 21 5.068 -9.316 10.050 168 HG SER 21 HG SER 21 6.224 -6.970 8.915 169 H ARG 22 HN ARG 22 6.797 -6.722 11.131 170 HA ARG 22 HA ARG 22 7.671 -6.954 13.758 171 HB2 ARG 22 2HB ARG 22 7.185 -4.825 12.569 172 HB3 ARG 22 1HB ARG 22 5.471 -5.172 12.699 173 HG2 ARG 22 2HG ARG 22 5.540 -4.967 15.075 174 HG3 ARG 22 1HG ARG 22 7.300 -4.850 15.062 175 HD2 ARG 22 2HD ARG 22 5.388 -2.878 13.819 176 HD3 ARG 22 1HD ARG 22 6.262 -2.652 15.335 177 HE ARG 22 HE ARG 22 8.130 -3.205 13.331 178 HH11 ARG 22 1HH1 ARG 22 5.851 -0.680 14.176 179 HH12 ARG 22 2HH1 ARG 22 6.785 0.588 13.459 180 HH21 ARG 22 1HH2 ARG 22 9.378 -1.531 12.375 181 HH22 ARG 22 2HH2 ARG 22 8.802 0.100 12.425 182 H ARG 23 HN ARG 23 4.306 -6.983 12.600 183 HA ARG 23 HA ARG 23 3.705 -8.890 14.745 184 HB2 ARG 23 2HB ARG 23 2.710 -6.695 15.278 185 HB3 ARG 23 1HB ARG 23 1.883 -6.697 13.730 186 HG2 ARG 23 2HG ARG 23 0.348 -7.317 15.496 187 HG3 ARG 23 1HG ARG 23 0.616 -8.686 14.417 188 HD2 ARG 23 2HD ARG 23 2.223 -9.617 16.003 189 HD3 ARG 23 1HD ARG 23 1.956 -8.250 17.083 190 HE ARG 23 HE ARG 23 -0.488 -9.563 16.492 191 HH11 ARG 23 1HH1 ARG 23 2.435 -9.915 18.380 192 HH12 ARG 23 2HH1 ARG 23 1.697 -10.897 19.593 193 HH21 ARG 23 1HH2 ARG 23 -1.482 -10.871 18.093 194 HH22 ARG 23 2HH2 ARG 23 -0.546 -11.446 19.433 195 HA PRO 24 HA PRO 24 2.699 -11.021 10.852 196 HB2 PRO 24 2HB PRO 24 3.009 -13.433 12.477 197 HB3 PRO 24 1HB PRO 24 3.943 -12.914 11.073 198 HG2 PRO 24 2HG PRO 24 4.983 -12.954 13.569 199 HG3 PRO 24 1HG PRO 24 5.477 -11.768 12.349 200 HD2 PRO 24 2HD PRO 24 3.566 -11.453 14.634 201 HD3 PRO 24 1HD PRO 24 4.831 -10.345 14.057 202 H SER 25 HN SER 25 0.623 -9.910 12.250 203 HA SER 25 HA SER 25 -1.345 -12.070 12.217 204 HB2 SER 25 2HB SER 25 -1.221 -9.972 14.398 205 HB3 SER 25 1HB SER 25 -2.399 -11.276 14.259 206 HG SER 25 HG SER 25 -0.656 -12.752 14.493 207 H SER 26 HN SER 26 -3.454 -11.368 11.680 208 HA SER 26 HA SER 26 -3.963 -8.565 11.185 209 HB2 SER 26 2HB SER 26 -4.456 -8.821 8.834 210 HB3 SER 26 1HB SER 26 -2.823 -9.433 9.102 211 H TRP 27 HN TRP 27 -6.278 -8.592 9.950 212 HA TRP 27 HA TRP 27 -8.033 -10.092 11.680 213 HB2 TRP 27 2HB TRP 27 -9.837 -8.837 10.596 214 HB3 TRP 27 1HB TRP 27 -8.549 -7.742 11.083 215 HD1 TRP 27 1HD TRP 27 -6.980 -6.756 9.054 216 HE1 TRP 27 1HE TRP 27 -7.541 -6.320 6.579 217 HE3 TRP 27 3HE TRP 27 -11.194 -9.633 8.655 218 HZ2 TRP 27 2HZ TRP 27 -9.512 -7.084 4.713 219 HZ3 TRP 27 3HZ TRP 27 -12.357 -9.721 6.489 220 HH2 TRP 27 2HH TRP 27 -11.532 -8.473 4.561 221 H ARG 28 HN ARG 28 -6.365 -10.787 8.964 222 HA ARG 28 HA ARG 28 -8.441 -12.489 7.775 223 HB2 ARG 28 2HB ARG 28 -5.740 -11.691 6.679 224 HB3 ARG 28 1HB ARG 28 -6.985 -12.590 5.824 225 HG2 ARG 28 2HG ARG 28 -8.420 -10.694 5.766 226 HG3 ARG 28 1HG ARG 28 -7.360 -9.792 6.850 227 HD2 ARG 28 2HD ARG 28 -7.024 -9.033 4.592 228 HD3 ARG 28 1HD ARG 28 -5.587 -9.890 5.144 229 HE ARG 28 HE ARG 28 -7.589 -11.305 3.533 230 HH11 ARG 28 1HH1 ARG 28 -4.324 -10.090 3.950 231 HH12 ARG 28 2HH1 ARG 28 -3.741 -10.792 2.478 232 HH21 ARG 28 1HH2 ARG 28 -6.798 -12.263 1.588 233 HH22 ARG 28 2HH2 ARG 28 -5.138 -12.041 1.148 234 H GLN 29 HN GLN 29 -5.108 -12.457 8.954 235 HA GLN 29 HA GLN 29 -5.310 -15.315 9.538 236 HB2 GLN 29 2HB GLN 29 -4.276 -14.996 7.282 237 HB3 GLN 29 1HB GLN 29 -3.004 -14.061 8.038 238 HG2 GLN 29 2HG GLN 29 -2.311 -16.026 9.305 239 HG3 GLN 29 1HG GLN 29 -3.610 -16.959 8.557 240 HE21 GLN 29 1HE2 GLN 29 -2.233 -18.411 7.595 241 HE22 GLN 29 2HE2 GLN 29 -1.214 -18.002 6.258 242 H GLU 30 HN GLU 30 -4.783 -15.536 11.638 243 HA GLU 30 HA GLU 30 -3.551 -13.417 13.106 244 HB2 GLU 30 2HB GLU 30 -3.782 -14.843 15.060 245 HB3 GLU 30 1HB GLU 30 -5.263 -14.869 14.115 246 HG2 GLU 30 2HG GLU 30 -4.675 -17.030 13.203 247 HG3 GLU 30 1HG GLU 30 -3.139 -17.001 14.065 248 H LYS 31 HN LYS 31 -2.429 -16.361 11.666 249 HA LYS 31 HA LYS 31 0.273 -15.698 12.590 250 HB2 LYS 31 2HB LYS 31 0.750 -18.200 12.303 251 HB3 LYS 31 1HB LYS 31 -0.161 -17.699 13.719 252 HG2 LYS 31 2HG LYS 31 -2.190 -18.508 12.814 253 HG3 LYS 31 1HG LYS 31 -1.478 -18.712 11.213 254 HD2 LYS 31 2HD LYS 31 -1.731 -20.860 12.390 255 HD3 LYS 31 1HD LYS 31 -0.040 -20.484 12.055 256 HE2 LYS 31 2HE LYS 31 0.204 -19.660 14.369 257 HE3 LYS 31 1HE LYS 31 -1.468 -20.115 14.689 258 HZ1 LYS 31 3HZ LYS 31 0.117 -21.790 15.448 259 HZ2 LYS 31 1HZ LYS 31 0.688 -21.982 13.872 260 HZ3 LYS 31 2HZ LYS 31 -0.899 -22.411 14.251 261 H ILE 32 HN ILE 32 0.884 -14.566 10.866 262 HA ILE 32 HA ILE 32 0.300 -15.269 8.186 263 HB ILE 32 HB ILE 32 2.487 -13.444 9.203 264 HG12 ILE 32 2HG1 ILE 32 0.262 -12.786 10.040 265 HG13 ILE 32 1HG1 ILE 32 0.897 -11.620 8.890 266 HG21 ILE 32 1HG2 ILE 32 1.125 -13.578 6.525 267 HG22 ILE 32 2HG2 ILE 32 2.767 -14.115 6.875 268 HG23 ILE 32 3HG2 ILE 32 2.350 -12.405 7.005 269 HD11 ILE 32 3HD1 ILE 32 -0.541 -12.525 7.161 270 HD12 ILE 32 1HD1 ILE 32 -1.481 -12.030 8.570 271 HD13 ILE 32 2HD1 ILE 32 -1.141 -13.739 8.290 272 H THR 33 HN THR 33 0.999 -17.196 7.457 273 HA THR 33 HA THR 33 3.717 -18.066 7.976 274 HB THR 33 HB THR 33 2.838 -19.979 6.369 275 HG1 THR 33 1HG THR 33 0.386 -19.842 7.344 276 HG21 THR 33 3HG2 THR 33 1.959 -21.149 8.350 277 HG22 THR 33 1HG2 THR 33 1.903 -19.617 9.222 278 HG23 THR 33 2HG2 THR 33 3.453 -20.287 8.715 279 H ARG 34 HN ARG 34 1.858 -16.575 5.492 280 HA ARG 34 HA ARG 34 3.453 -17.120 3.252 281 HB2 ARG 34 2HB ARG 34 2.521 -14.741 2.537 282 HB3 ARG 34 1HB ARG 34 1.468 -16.145 2.610 283 HG2 ARG 34 2HG ARG 34 0.755 -15.450 4.868 284 HG3 ARG 34 1HG ARG 34 1.761 -14.011 4.705 285 HD2 ARG 34 2HD ARG 34 0.409 -13.127 3.013 286 HD3 ARG 34 1HD ARG 34 -0.372 -14.678 2.707 287 HE ARG 34 HE ARG 34 -1.392 -14.416 4.970 288 HH11 ARG 34 1HH1 ARG 34 -0.349 -11.575 3.193 289 HH12 ARG 34 2HH1 ARG 34 -1.489 -10.515 3.958 290 HH21 ARG 34 1HH2 ARG 34 -2.930 -13.010 5.956 291 HH22 ARG 34 2HH2 ARG 34 -2.971 -11.332 5.509 292 H THR 35 HN THR 35 5.446 -16.640 2.845 293 HA THR 35 HA THR 35 6.864 -14.856 4.626 294 HB THR 35 HB THR 35 7.764 -17.096 4.042 295 HG1 THR 35 1HG THR 35 9.919 -16.296 3.603 296 HG21 THR 35 3HG2 THR 35 8.811 -17.441 1.851 297 HG22 THR 35 1HG2 THR 35 8.218 -15.868 1.316 298 HG23 THR 35 2HG2 THR 35 7.079 -17.161 1.686 299 H LYS 36 HN LYS 36 8.888 -13.851 3.239 300 HA LYS 36 HA LYS 36 7.904 -11.452 2.197 301 HB2 LYS 36 2HB LYS 36 10.124 -11.665 3.168 302 HB3 LYS 36 1HB LYS 36 10.624 -12.719 1.855 303 HG2 LYS 36 2HG LYS 36 10.211 -10.811 0.283 304 HG3 LYS 36 1HG LYS 36 9.957 -9.787 1.698 305 HD2 LYS 36 2HD LYS 36 12.472 -11.343 1.075 306 HD3 LYS 36 1HD LYS 36 12.253 -9.609 0.849 307 HE2 LYS 36 2HE LYS 36 11.927 -9.317 3.236 308 HE3 LYS 36 1HE LYS 36 12.048 -11.056 3.485 309 HZ1 LYS 36 3HZ LYS 36 14.113 -9.937 4.018 310 HZ2 LYS 36 1HZ LYS 36 14.207 -9.310 2.450 311 HZ3 LYS 36 2HZ LYS 36 14.323 -10.975 2.702 312 H GLU 37 HN GLU 37 9.379 -14.204 0.488 313 HA GLU 37 HA GLU 37 9.285 -13.242 -2.093 314 HB2 GLU 37 2HB GLU 37 8.775 -16.101 -1.254 315 HB3 GLU 37 1HB GLU 37 9.257 -15.569 -2.855 316 HG2 GLU 37 2HG GLU 37 11.246 -16.314 -1.979 317 HG3 GLU 37 1HG GLU 37 11.323 -14.590 -1.628 318 H GLU 38 HN GLU 38 6.736 -14.894 -0.312 319 HA GLU 38 HA GLU 38 4.880 -15.014 -2.440 320 HB2 GLU 38 2HB GLU 38 4.424 -15.050 0.540 321 HB3 GLU 38 1HB GLU 38 3.238 -15.496 -0.677 322 HG2 GLU 38 2HG GLU 38 4.580 -17.364 -1.369 323 HG3 GLU 38 1HG GLU 38 5.876 -16.876 -0.277 324 H ALA 39 HN ALA 39 5.184 -12.837 0.350 325 HA ALA 39 HA ALA 39 3.011 -11.179 -0.212 326 HB1 ALA 39 1HB ALA 39 5.593 -10.444 1.164 327 HB2 ALA 39 2HB ALA 39 4.192 -11.189 1.934 328 HB3 ALA 39 3HB ALA 39 4.072 -9.560 1.270 329 H LEU 40 HN LEU 40 6.356 -11.019 -1.292 330 HA LEU 40 HA LEU 40 6.255 -8.519 -2.554 331 HB2 LEU 40 2HB LEU 40 8.324 -9.770 -2.027 332 HB3 LEU 40 1HB LEU 40 7.931 -10.921 -3.286 333 HG LEU 40 HG LEU 40 8.117 -9.104 -4.965 334 HD11 LEU 40 1HD1 LEU 40 9.073 -7.483 -2.611 335 HD12 LEU 40 2HD1 LEU 40 7.606 -7.204 -3.548 336 HD13 LEU 40 3HD1 LEU 40 9.185 -6.999 -4.302 337 HD21 LEU 40 3HD2 LEU 40 10.558 -8.939 -4.884 338 HD22 LEU 40 1HD2 LEU 40 10.009 -10.572 -4.514 339 HD23 LEU 40 2HD2 LEU 40 10.541 -9.507 -3.216 340 H GLU 41 HN GLU 41 5.609 -11.788 -3.797 341 HA GLU 41 HA GLU 41 5.090 -10.908 -6.451 342 HB2 GLU 41 2HB GLU 41 4.332 -13.469 -5.056 343 HB3 GLU 41 1HB GLU 41 4.076 -13.162 -6.766 344 HG2 GLU 41 2HG GLU 41 6.596 -12.700 -6.843 345 HG3 GLU 41 1HG GLU 41 6.634 -13.513 -5.279 346 H LEU 42 HN LEU 42 3.105 -11.388 -3.608 347 HA LEU 42 HA LEU 42 0.594 -11.173 -4.857 348 HB2 LEU 42 2HB LEU 42 1.429 -10.335 -2.077 349 HB3 LEU 42 1HB LEU 42 -0.230 -10.440 -2.628 350 HG LEU 42 HG LEU 42 1.693 -12.752 -2.369 351 HD11 LEU 42 1HD1 LEU 42 0.946 -11.887 -0.219 352 HD12 LEU 42 2HD1 LEU 42 0.237 -13.468 -0.551 353 HD13 LEU 42 3HD1 LEU 42 -0.733 -12.008 -0.746 354 HD21 LEU 42 3HD2 LEU 42 -0.273 -14.148 -2.849 355 HD22 LEU 42 1HD2 LEU 42 0.151 -13.111 -4.211 356 HD23 LEU 42 2HD2 LEU 42 -1.214 -12.693 -3.176 357 H ILE 43 HN ILE 43 2.691 -8.729 -3.389 358 HA ILE 43 HA ILE 43 1.131 -6.472 -3.778 359 HB ILE 43 HB ILE 43 4.132 -6.794 -3.798 360 HG12 ILE 43 2HG1 ILE 43 3.010 -7.321 -1.691 361 HG13 ILE 43 1HG1 ILE 43 3.981 -5.862 -1.538 362 HG21 ILE 43 1HG2 ILE 43 2.579 -4.214 -3.738 363 HG22 ILE 43 2HG2 ILE 43 3.603 -4.778 -5.055 364 HG23 ILE 43 3HG2 ILE 43 4.316 -4.370 -3.494 365 HD11 ILE 43 3HD1 ILE 43 1.934 -4.515 -1.797 366 HD12 ILE 43 1HD1 ILE 43 1.885 -5.579 -0.393 367 HD13 ILE 43 2HD1 ILE 43 0.989 -6.005 -1.848 368 H ASN 44 HN ASN 44 3.768 -7.556 -5.918 369 HA ASN 44 HA ASN 44 3.163 -5.712 -7.965 370 HB2 ASN 44 2HB ASN 44 4.728 -8.280 -7.967 371 HB3 ASN 44 1HB ASN 44 4.551 -7.285 -9.407 372 HD21 ASN 44 1HD2 ASN 44 6.911 -7.993 -7.833 373 HD22 ASN 44 2HD2 ASN 44 7.641 -6.493 -7.385 374 H GLY 45 HN GLY 45 1.947 -8.874 -7.219 375 HA2 GLY 45 2HA GLY 45 0.736 -9.474 -9.687 376 HA3 GLY 45 1HA GLY 45 0.256 -10.113 -8.120 377 H TYR 46 HN TYR 46 -0.682 -8.091 -6.712 378 HA TYR 46 HA TYR 46 -3.221 -7.574 -7.758 379 HB2 TYR 46 2HB TYR 46 -1.738 -6.001 -5.632 380 HB3 TYR 46 1HB TYR 46 -3.464 -5.898 -5.946 381 HD1 TYR 46 1HD TYR 46 -4.278 -8.683 -6.211 382 HD2 TYR 46 2HD TYR 46 -1.468 -6.935 -3.535 383 HE1 TYR 46 1HE TYR 46 -4.669 -10.510 -4.612 384 HE2 TYR 46 2HE TYR 46 -1.849 -8.759 -1.934 385 HH TYR 46 HH TYR 46 -3.616 -11.594 -2.770 386 H ILE 47 HN ILE 47 -0.339 -5.537 -7.646 387 HA ILE 47 HA ILE 47 -1.344 -3.218 -8.788 388 HB ILE 47 HB ILE 47 1.402 -4.459 -9.004 389 HG12 ILE 47 2HG1 ILE 47 0.358 -2.180 -7.315 390 HG13 ILE 47 1HG1 ILE 47 0.639 -3.822 -6.747 391 HG21 ILE 47 1HG2 ILE 47 0.566 -1.674 -9.817 392 HG22 ILE 47 2HG2 ILE 47 1.114 -2.957 -10.892 393 HG23 ILE 47 3HG2 ILE 47 2.225 -2.257 -9.717 394 HD11 ILE 47 3HD1 ILE 47 2.441 -2.331 -6.104 395 HD12 ILE 47 1HD1 ILE 47 2.729 -1.937 -7.799 396 HD13 ILE 47 2HD1 ILE 47 3.015 -3.577 -7.213 397 H GLN 48 HN GLN 48 0.058 -6.059 -10.397 398 HA GLN 48 HA GLN 48 -0.191 -5.040 -13.013 399 HB2 GLN 48 2HB GLN 48 1.270 -6.961 -12.313 400 HB3 GLN 48 1HB GLN 48 -0.176 -7.953 -12.215 401 HG2 GLN 48 2HG GLN 48 1.064 -8.272 -14.313 402 HG3 GLN 48 1HG GLN 48 -0.579 -7.687 -14.573 403 HE21 GLN 48 1HE2 GLN 48 -0.902 -5.650 -15.424 404 HE22 GLN 48 2HE2 GLN 48 0.378 -4.693 -16.082 405 H LYS 49 HN LYS 49 -2.345 -7.000 -11.010 406 HA LYS 49 HA LYS 49 -4.287 -7.518 -12.989 407 HB2 LYS 49 2HB LYS 49 -4.627 -7.310 -9.990 408 HB3 LYS 49 1HB LYS 49 -5.783 -8.033 -11.101 409 HG2 LYS 49 2HG LYS 49 -4.250 -9.792 -11.654 410 HG3 LYS 49 1HG LYS 49 -2.963 -9.017 -10.734 411 HD2 LYS 49 2HD LYS 49 -3.836 -10.808 -9.412 412 HD3 LYS 49 1HD LYS 49 -4.364 -9.293 -8.685 413 HE2 LYS 49 2HE LYS 49 -6.181 -10.900 -8.718 414 HE3 LYS 49 1HE LYS 49 -6.541 -9.538 -9.774 415 HZ1 LYS 49 3HZ LYS 49 -7.122 -11.658 -10.780 416 HZ2 LYS 49 1HZ LYS 49 -5.517 -12.175 -10.674 417 HZ3 LYS 49 2HZ LYS 49 -5.927 -10.876 -11.675 418 H ILE 50 HN ILE 50 -3.899 -4.879 -10.680 419 HA ILE 50 HA ILE 50 -6.334 -3.558 -11.307 420 HB ILE 50 HB ILE 50 -3.779 -2.416 -10.144 421 HG12 ILE 50 2HG1 ILE 50 -6.314 -3.284 -8.740 422 HG13 ILE 50 1HG1 ILE 50 -4.847 -4.254 -8.831 423 HG21 ILE 50 1HG2 ILE 50 -6.572 -1.263 -10.190 424 HG22 ILE 50 2HG2 ILE 50 -5.179 -0.657 -11.087 425 HG23 ILE 50 3HG2 ILE 50 -5.193 -0.580 -9.325 426 HD11 ILE 50 3HD1 ILE 50 -5.028 -3.100 -6.698 427 HD12 ILE 50 1HD1 ILE 50 -5.089 -1.551 -7.535 428 HD13 ILE 50 2HD1 ILE 50 -3.629 -2.535 -7.610 429 H LYS 51 HN LYS 51 -2.984 -3.099 -12.412 430 HA LYS 51 HA LYS 51 -3.481 -0.879 -14.067 431 HB2 LYS 51 2HB LYS 51 -1.309 -2.965 -14.185 432 HB3 LYS 51 1HB LYS 51 -1.346 -1.545 -15.218 433 HG2 LYS 51 2HG LYS 51 -1.252 -0.102 -13.248 434 HG3 LYS 51 1HG LYS 51 -1.221 -1.528 -12.208 435 HD2 LYS 51 2HD LYS 51 1.027 -0.644 -12.504 436 HD3 LYS 51 1HD LYS 51 0.889 -2.230 -13.263 437 HE2 LYS 51 2HE LYS 51 0.630 -1.183 -15.445 438 HE3 LYS 51 1HE LYS 51 0.693 0.415 -14.703 439 HZ1 LYS 51 3HZ LYS 51 2.888 -1.581 -14.642 440 HZ2 LYS 51 1HZ LYS 51 2.945 -0.012 -14.017 441 HZ3 LYS 51 2HZ LYS 51 2.811 -0.252 -15.682 442 H SER 52 HN SER 52 -3.927 -4.288 -14.636 443 HA SER 52 HA SER 52 -4.189 -4.018 -17.481 444 HB2 SER 52 2HB SER 52 -5.098 -6.291 -15.699 445 HB3 SER 52 1HB SER 52 -4.874 -6.353 -17.448 446 HG SER 52 HG SER 52 -3.009 -6.395 -15.397 447 H GLY 53 HN GLY 53 -6.144 -3.172 -14.903 448 HA2 GLY 53 2HA GLY 53 -8.216 -2.115 -15.039 449 HA3 GLY 53 1HA GLY 53 -8.396 -2.734 -16.673 450 H GLU 54 HN GLU 54 -7.432 -5.220 -14.750 451 HA GLU 54 HA GLU 54 -9.971 -6.505 -14.921 452 HB2 GLU 54 2HB GLU 54 -7.439 -7.367 -13.519 453 HB3 GLU 54 1HB GLU 54 -8.831 -8.393 -13.831 454 HG2 GLU 54 2HG GLU 54 -7.136 -7.082 -15.942 455 HG3 GLU 54 1HG GLU 54 -7.002 -8.763 -15.420 456 H GLU 55 HN GLU 55 -7.885 -5.811 -12.133 457 HA GLU 55 HA GLU 55 -10.269 -5.885 -10.435 458 HB2 GLU 55 2HB GLU 55 -7.349 -6.033 -9.686 459 HB3 GLU 55 1HB GLU 55 -8.693 -6.126 -8.558 460 HG2 GLU 55 2HG GLU 55 -8.028 -8.099 -10.732 461 HG3 GLU 55 1HG GLU 55 -7.821 -8.319 -8.995 462 H ASP 56 HN ASP 56 -10.193 -4.359 -8.546 463 HA ASP 56 HA ASP 56 -9.203 -1.724 -9.420 464 HB2 ASP 56 2HB ASP 56 -11.739 -2.325 -7.870 465 HB3 ASP 56 1HB ASP 56 -11.164 -0.722 -8.311 466 H PHE 57 HN PHE 57 -8.215 -0.450 -7.882 467 HA PHE 57 HA PHE 57 -6.854 -1.768 -5.847 468 HB2 PHE 57 2HB PHE 57 -6.116 0.368 -6.911 469 HB3 PHE 57 1HB PHE 57 -7.341 1.211 -5.964 470 HD1 PHE 57 1HD PHE 57 -7.113 1.408 -3.527 471 HD2 PHE 57 2HD PHE 57 -4.099 -0.436 -5.896 472 HE1 PHE 57 1HE PHE 57 -5.535 1.576 -1.650 473 HE2 PHE 57 2HE PHE 57 -2.520 -0.266 -4.022 474 HZ PHE 57 HZ PHE 57 -3.237 0.738 -1.895 475 H GLU 58 HN GLU 58 -9.537 0.574 -5.484 476 HA GLU 58 HA GLU 58 -9.760 0.455 -2.724 477 HB2 GLU 58 2HB GLU 58 -11.896 0.870 -4.804 478 HB3 GLU 58 1HB GLU 58 -12.193 1.039 -3.082 479 HG2 GLU 58 2HG GLU 58 -10.522 2.823 -2.977 480 HG3 GLU 58 1HG GLU 58 -10.247 2.658 -4.710 481 H SER 59 HN SER 59 -11.227 -1.666 -5.134 482 HA SER 59 HA SER 59 -12.799 -3.160 -3.348 483 HB2 SER 59 2HB SER 59 -11.613 -4.090 -5.968 484 HB3 SER 59 1HB SER 59 -13.052 -4.725 -5.168 485 HG SER 59 HG SER 59 -13.653 -3.288 -6.801 486 H LEU 60 HN LEU 60 -9.535 -3.738 -4.671 487 HA LEU 60 HA LEU 60 -9.147 -6.192 -3.306 488 HB2 LEU 60 2HB LEU 60 -7.113 -4.252 -4.404 489 HB3 LEU 60 1HB LEU 60 -6.749 -5.871 -3.845 490 HG LEU 60 HG LEU 60 -8.436 -5.133 -6.236 491 HD11 LEU 60 1HD1 LEU 60 -5.748 -6.473 -5.996 492 HD12 LEU 60 2HD1 LEU 60 -6.056 -4.843 -6.593 493 HD13 LEU 60 3HD1 LEU 60 -6.649 -6.237 -7.494 494 HD21 LEU 60 3HD2 LEU 60 -8.520 -7.551 -6.666 495 HD22 LEU 60 1HD2 LEU 60 -9.344 -7.114 -5.170 496 HD23 LEU 60 2HD2 LEU 60 -7.739 -7.843 -5.113 497 H ALA 61 HN ALA 61 -8.265 -2.856 -2.571 498 HA ALA 61 HA ALA 61 -6.742 -3.468 -0.266 499 HB1 ALA 61 1HB ALA 61 -6.772 -1.090 0.178 500 HB2 ALA 61 2HB ALA 61 -8.066 -0.866 -0.998 501 HB3 ALA 61 3HB ALA 61 -6.471 -1.392 -1.534 502 H SER 62 HN SER 62 -10.075 -3.554 -0.750 503 HA SER 62 HA SER 62 -10.714 -2.890 1.998 504 HB2 SER 62 2HB SER 62 -12.463 -3.867 -0.265 505 HB3 SER 62 1HB SER 62 -13.050 -3.428 1.337 506 HG SER 62 HG SER 62 -11.831 -1.765 -0.609 507 H GLN 63 HN GLN 63 -9.678 -5.623 0.302 508 HA GLN 63 HA GLN 63 -10.680 -7.340 2.474 509 HB2 GLN 63 2HB GLN 63 -10.531 -8.055 -0.451 510 HB3 GLN 63 1HB GLN 63 -10.876 -9.193 0.844 511 HG2 GLN 63 2HG GLN 63 -12.887 -7.954 1.417 512 HG3 GLN 63 1HG GLN 63 -12.538 -6.785 0.147 513 HE21 GLN 63 1HE2 GLN 63 -11.948 -10.201 -0.248 514 HE22 GLN 63 2HE2 GLN 63 -13.214 -10.479 -1.391 515 H PHE 64 HN PHE 64 -8.099 -6.752 0.145 516 HA PHE 64 HA PHE 64 -6.538 -8.927 1.295 517 HB2 PHE 64 2HB PHE 64 -6.025 -7.158 -1.093 518 HB3 PHE 64 1HB PHE 64 -4.929 -8.420 -0.541 519 HD1 PHE 64 2HD PHE 64 -5.721 -10.797 -0.547 520 HD2 PHE 64 1HD PHE 64 -7.887 -7.662 -2.430 521 HE1 PHE 64 2HE PHE 64 -6.957 -12.456 -1.872 522 HE2 PHE 64 1HE PHE 64 -9.131 -9.316 -3.758 523 HZ PHE 64 HZ PHE 64 -8.665 -11.717 -3.482 524 H SER 65 HN SER 65 -7.058 -5.971 2.337 525 HA SER 65 HA SER 65 -4.275 -5.284 2.842 526 HB2 SER 65 2HB SER 65 -6.832 -3.876 3.633 527 HB3 SER 65 1HB SER 65 -5.209 -3.290 3.995 528 HG SER 65 HG SER 65 -6.619 -2.906 1.817 529 H ASP 66 HN ASP 66 -3.273 -6.228 4.444 530 HA ASP 66 HA ASP 66 -4.687 -7.568 6.567 531 HB2 ASP 66 2HB ASP 66 -1.724 -7.132 6.135 532 HB3 ASP 66 1HB ASP 66 -2.423 -8.191 7.354 533 H SER 67 HN SER 67 -5.473 -5.075 6.804 534 HA SER 67 HA SER 67 -4.571 -4.269 9.380 535 HB2 SER 67 2HB SER 67 -2.807 -3.263 7.928 536 HB3 SER 67 1HB SER 67 -4.056 -2.374 7.062 537 HG SER 67 HG SER 67 -2.878 -1.299 8.886 538 H SER 68 HN SER 68 -5.703 -2.005 9.833 539 HA SER 68 HA SER 68 -8.480 -2.406 9.474 540 HB2 SER 68 2HB SER 68 -6.974 0.033 10.436 541 HB3 SER 68 1HB SER 68 -8.706 -0.231 10.613 542 HG SER 68 HG SER 68 -6.964 -0.887 12.335 543 H SER 69 HN SER 69 -6.114 -1.014 7.500 544 HA SER 69 HA SER 69 -7.380 1.051 6.157 545 HB2 SER 69 2HB SER 69 -5.570 -1.002 4.876 546 HB3 SER 69 1HB SER 69 -5.781 0.684 4.407 547 HG SER 69 HG SER 69 -4.912 1.233 6.503 548 H ALA 70 HN ALA 70 -7.946 -2.356 6.032 549 HA ALA 70 HA ALA 70 -9.104 -2.634 3.502 550 HB1 ALA 70 1HB ALA 70 -10.062 -4.692 4.359 551 HB2 ALA 70 2HB ALA 70 -9.727 -4.179 6.012 552 HB3 ALA 70 3HB ALA 70 -8.396 -4.515 4.908 553 H LYS 71 HN LYS 71 -10.409 -1.395 6.496 554 HA LYS 71 HA LYS 71 -13.139 -1.540 5.554 555 HB2 LYS 71 2HB LYS 71 -11.987 -0.209 8.011 556 HB3 LYS 71 1HB LYS 71 -13.700 -0.423 7.674 557 HG2 LYS 71 2HG LYS 71 -13.364 -2.868 7.702 558 HG3 LYS 71 1HG LYS 71 -11.676 -2.603 8.134 559 HD2 LYS 71 2HD LYS 71 -12.357 -1.494 10.185 560 HD3 LYS 71 1HD LYS 71 -14.055 -1.679 9.740 561 HE2 LYS 71 2HE LYS 71 -13.372 -3.385 11.354 562 HE3 LYS 71 1HE LYS 71 -13.821 -4.106 9.810 563 HZ1 LYS 71 3HZ LYS 71 -11.804 -5.083 10.725 564 HZ2 LYS 71 1HZ LYS 71 -11.038 -3.581 10.712 565 HZ3 LYS 71 2HZ LYS 71 -11.488 -4.316 9.260 566 H ALA 72 HN ALA 72 -10.557 0.527 5.090 567 HA ALA 72 HA ALA 72 -12.337 2.806 4.544 568 HB1 ALA 72 1HB ALA 72 -10.393 4.244 4.832 569 HB2 ALA 72 2HB ALA 72 -9.383 2.832 5.144 570 HB3 ALA 72 3HB ALA 72 -10.670 3.261 6.271 571 H ARG 73 HN ARG 73 -11.283 0.358 2.908 572 HA ARG 73 HA ARG 73 -10.842 -0.096 0.715 573 HB2 ARG 73 2HB ARG 73 -11.536 2.822 0.417 574 HB3 ARG 73 1HB ARG 73 -11.145 1.792 -0.949 575 HG2 ARG 73 2HG ARG 73 -13.051 0.384 -0.463 576 HG3 ARG 73 1HG ARG 73 -13.424 1.353 0.968 577 HD2 ARG 73 2HD ARG 73 -13.877 3.274 -0.366 578 HD3 ARG 73 1HD ARG 73 -13.263 2.483 -1.814 579 HE ARG 73 HE ARG 73 -15.526 1.174 -0.577 580 HH11 ARG 73 1HH1 ARG 73 -14.413 3.527 -2.939 581 HH12 ARG 73 2HH1 ARG 73 -15.881 3.488 -3.859 582 HH21 ARG 73 1HH2 ARG 73 -17.470 1.122 -1.793 583 HH22 ARG 73 2HH2 ARG 73 -17.638 2.113 -3.201 584 H GLY 74 HN GLY 74 -8.802 1.323 2.623 585 HA2 GLY 74 2HA GLY 74 -6.498 1.526 2.469 586 HA3 GLY 74 1HA GLY 74 -6.619 1.228 0.743 587 H ASP 75 HN ASP 75 -8.661 3.428 0.555 588 HA ASP 75 HA ASP 75 -6.789 5.534 -0.006 589 HB2 ASP 75 2HB ASP 75 -8.569 5.185 -1.573 590 HB3 ASP 75 1HB ASP 75 -9.783 5.348 -0.312 591 H LEU 76 HN LEU 76 -6.251 7.174 1.211 592 HA LEU 76 HA LEU 76 -7.738 7.640 3.703 593 HB2 LEU 76 2HB LEU 76 -4.939 8.409 2.884 594 HB3 LEU 76 1HB LEU 76 -5.685 8.874 4.398 595 HG LEU 76 HG LEU 76 -5.137 6.028 3.557 596 HD11 LEU 76 1HD1 LEU 76 -3.668 7.812 5.490 597 HD12 LEU 76 2HD1 LEU 76 -3.071 7.263 3.924 598 HD13 LEU 76 3HD1 LEU 76 -3.348 6.099 5.219 599 HD21 LEU 76 3HD2 LEU 76 -5.608 5.543 5.934 600 HD22 LEU 76 1HD2 LEU 76 -7.013 6.183 5.079 601 HD23 LEU 76 2HD2 LEU 76 -6.086 7.226 6.157 602 H GLY 77 HN GLY 77 -7.531 8.837 0.630 603 HA2 GLY 77 2HA GLY 77 -8.401 10.788 -0.248 604 HA3 GLY 77 1HA GLY 77 -8.724 11.343 1.393 605 H ALA 78 HN ALA 78 -7.914 13.406 0.459 606 HA ALA 78 HA ALA 78 -5.088 13.563 -0.073 607 HB1 ALA 78 1HB ALA 78 -5.481 15.968 -0.297 608 HB2 ALA 78 2HB ALA 78 -7.129 15.755 0.290 609 HB3 ALA 78 3HB ALA 78 -6.644 15.043 -1.248 610 H PHE 79 HN PHE 79 -3.607 13.641 1.450 611 HA PHE 79 HA PHE 79 -4.321 14.820 4.047 612 HB2 PHE 79 2HB PHE 79 -2.836 13.112 5.113 613 HB3 PHE 79 1HB PHE 79 -4.277 12.431 4.372 614 HD1 PHE 79 2HD PHE 79 -0.634 12.923 3.909 615 HD2 PHE 79 1HD PHE 79 -4.114 10.807 2.676 616 HE1 PHE 79 2HE PHE 79 0.768 11.383 2.608 617 HE2 PHE 79 1HE PHE 79 -2.714 9.262 1.373 618 HZ PHE 79 HZ PHE 79 -0.268 9.552 1.339 619 H SER 80 HN SER 80 -2.447 15.531 5.294 620 HA SER 80 HA SER 80 -0.545 16.906 3.609 621 HB2 SER 80 2HB SER 80 -1.494 18.133 5.473 622 HB3 SER 80 1HB SER 80 -0.987 16.886 6.609 623 HG SER 80 HG SER 80 0.457 18.946 5.463 624 H ARG 81 HN ARG 81 1.532 16.424 3.355 625 HA ARG 81 HA ARG 81 2.483 13.839 3.743 626 HB2 ARG 81 2HB ARG 81 4.683 14.737 3.136 627 HB3 ARG 81 1HB ARG 81 3.410 15.311 2.067 628 HG2 ARG 81 2HG ARG 81 3.382 17.444 3.220 629 HG3 ARG 81 1HG ARG 81 4.605 16.864 4.352 630 HD2 ARG 81 2HD ARG 81 6.160 16.560 2.479 631 HD3 ARG 81 1HD ARG 81 4.939 17.193 1.375 632 HE ARG 81 HE ARG 81 5.572 18.945 3.563 633 HH11 ARG 81 1HH1 ARG 81 6.439 17.985 0.312 634 HH12 ARG 81 2HH1 ARG 81 7.198 19.487 -0.075 635 HH21 ARG 81 1HH2 ARG 81 6.581 20.942 3.063 636 HH22 ARG 81 2HH2 ARG 81 7.283 21.175 1.502 637 H GLY 82 HN GLY 82 2.699 16.633 5.853 638 HA2 GLY 82 2HA GLY 82 4.768 15.664 7.528 639 HA3 GLY 82 1HA GLY 82 3.602 16.906 7.951 640 H GLN 83 HN GLN 83 1.408 14.933 7.301 641 HA GLN 83 HA GLN 83 1.361 13.692 9.950 642 HB2 GLN 83 2HB GLN 83 -0.886 13.850 7.934 643 HB3 GLN 83 1HB GLN 83 -1.013 13.472 9.643 644 HG2 GLN 83 2HG GLN 83 -0.205 16.145 8.508 645 HG3 GLN 83 1HG GLN 83 -1.814 15.729 9.086 646 HE21 GLN 83 1HE2 GLN 83 -1.848 17.274 10.654 647 HE22 GLN 83 2HE2 GLN 83 -0.867 17.221 12.076 648 H MET 84 HN MET 84 2.776 12.761 7.379 649 HA MET 84 HA MET 84 1.743 10.012 7.423 650 HB2 MET 84 2HB MET 84 1.009 11.137 5.362 651 HB3 MET 84 1HB MET 84 2.673 11.554 4.993 652 HG2 MET 84 2HG MET 84 1.860 9.651 3.685 653 HG3 MET 84 1HG MET 84 3.238 9.236 4.702 654 HE1 MET 84 3HE MET 84 -1.118 8.079 5.729 655 HE2 MET 84 1HE MET 84 -0.669 9.034 4.317 656 HE3 MET 84 2HE MET 84 -0.489 9.713 5.935 657 H GLN 85 HN GLN 85 3.333 8.373 6.989 658 HA GLN 85 HA GLN 85 5.829 8.798 8.199 659 HB2 GLN 85 2HB GLN 85 4.952 6.574 6.346 660 HB3 GLN 85 1HB GLN 85 6.420 6.551 7.311 661 HG2 GLN 85 2HG GLN 85 3.640 6.751 8.446 662 HG3 GLN 85 1HG GLN 85 4.548 5.250 8.283 663 HE21 GLN 85 1HE2 GLN 85 4.498 4.898 10.499 664 HE22 GLN 85 2HE2 GLN 85 5.463 5.809 11.607 665 H LYS 86 HN LYS 86 7.902 8.982 7.376 666 HA LYS 86 HA LYS 86 8.145 10.700 5.196 667 HB2 LYS 86 2HB LYS 86 9.710 10.491 7.169 668 HB3 LYS 86 1HB LYS 86 10.420 9.104 6.356 669 HG2 LYS 86 2HG LYS 86 11.751 11.080 5.952 670 HG3 LYS 86 1HG LYS 86 11.000 10.538 4.449 671 HD2 LYS 86 2HD LYS 86 9.285 12.248 4.653 672 HD3 LYS 86 1HD LYS 86 9.942 12.752 6.211 673 HE2 LYS 86 2HE LYS 86 12.005 13.450 5.138 674 HE3 LYS 86 1HE LYS 86 11.416 12.866 3.582 675 HZ1 LYS 86 3HZ LYS 86 11.146 15.248 3.774 676 HZ2 LYS 86 1HZ LYS 86 10.215 15.069 5.173 677 HZ3 LYS 86 2HZ LYS 86 9.635 14.497 3.687 678 HA PRO 87 HA PRO 87 10.033 6.942 2.625 679 HB2 PRO 87 2HB PRO 87 8.811 4.535 3.286 680 HB3 PRO 87 1HB PRO 87 10.439 5.007 3.783 681 HG2 PRO 87 2HG PRO 87 7.870 5.171 5.304 682 HG3 PRO 87 1HG PRO 87 9.482 4.705 5.875 683 HD2 PRO 87 2HD PRO 87 8.479 7.126 6.389 684 HD3 PRO 87 1HD PRO 87 10.203 6.909 6.017 685 H PHE 88 HN PHE 88 6.780 6.826 3.961 686 HA PHE 88 HA PHE 88 5.459 5.990 1.594 687 HB2 PHE 88 2HB PHE 88 4.584 5.902 4.000 688 HB3 PHE 88 1HB PHE 88 4.256 7.620 3.836 689 HD1 PHE 88 2HD PHE 88 2.707 8.322 1.890 690 HD2 PHE 88 1HD PHE 88 3.018 4.342 3.350 691 HE1 PHE 88 2HE PHE 88 0.526 7.793 0.896 692 HE2 PHE 88 1HE PHE 88 0.835 3.806 2.362 693 HZ PHE 88 HZ PHE 88 -0.417 5.538 1.131 694 H GLU 89 HN GLU 89 6.049 9.127 3.129 695 HA GLU 89 HA GLU 89 4.777 10.799 1.293 696 HB2 GLU 89 2HB GLU 89 5.602 11.636 3.419 697 HB3 GLU 89 1HB GLU 89 7.259 11.267 2.961 698 HG2 GLU 89 2HG GLU 89 6.901 12.899 1.034 699 HG3 GLU 89 1HG GLU 89 5.465 13.422 1.906 700 H ASP 90 HN ASP 90 8.121 9.650 1.413 701 HA ASP 90 HA ASP 90 9.134 10.996 -0.791 702 HB2 ASP 90 2HB ASP 90 10.517 9.746 0.833 703 HB3 ASP 90 1HB ASP 90 9.920 8.236 0.152 704 H ALA 91 HN ALA 91 7.509 7.862 -0.654 705 HA ALA 91 HA ALA 91 7.806 7.324 -3.433 706 HB1 ALA 91 1HB ALA 91 6.204 5.522 -3.055 707 HB2 ALA 91 2HB ALA 91 5.829 6.183 -1.463 708 HB3 ALA 91 3HB ALA 91 7.439 5.544 -1.797 709 H SER 92 HN SER 92 5.253 8.768 -1.471 710 HA SER 92 HA SER 92 3.289 8.948 -3.473 711 HB2 SER 92 2HB SER 92 3.732 10.706 -1.055 712 HB3 SER 92 1HB SER 92 2.254 10.650 -2.015 713 HG SER 92 HG SER 92 3.392 8.598 -0.423 714 H PHE 93 HN PHE 93 5.776 11.245 -2.432 715 HA PHE 93 HA PHE 93 4.963 13.200 -4.369 716 HB2 PHE 93 2HB PHE 93 7.230 13.053 -2.399 717 HB3 PHE 93 1HB PHE 93 7.140 14.340 -3.599 718 HD1 PHE 93 1HD PHE 93 4.889 12.673 -1.121 719 HD2 PHE 93 2HD PHE 93 6.173 16.306 -2.922 720 HE1 PHE 93 1HE PHE 93 3.361 13.926 0.336 721 HE2 PHE 93 2HE PHE 93 4.646 17.568 -1.464 722 HZ PHE 93 HZ PHE 93 3.232 16.376 0.172 723 H ALA 94 HN ALA 94 6.701 10.391 -4.605 724 HA ALA 94 HA ALA 94 8.419 11.313 -6.760 725 HB1 ALA 94 1HB ALA 94 9.138 8.972 -6.903 726 HB2 ALA 94 2HB ALA 94 7.915 8.521 -5.717 727 HB3 ALA 94 3HB ALA 94 9.253 9.569 -5.247 728 H LEU 95 HN LEU 95 5.355 9.866 -6.214 729 HA LEU 95 HA LEU 95 4.952 9.009 -8.948 730 HB2 LEU 95 2HB LEU 95 3.058 9.147 -6.605 731 HB3 LEU 95 1HB LEU 95 2.692 8.424 -8.154 732 HG LEU 95 HG LEU 95 4.799 7.436 -6.235 733 HD11 LEU 95 1HD1 LEU 95 2.042 6.387 -6.861 734 HD12 LEU 95 2HD1 LEU 95 2.550 7.147 -5.354 735 HD13 LEU 95 3HD1 LEU 95 3.233 5.595 -5.830 736 HD21 LEU 95 3HD2 LEU 95 4.849 5.465 -7.697 737 HD22 LEU 95 1HD2 LEU 95 5.327 6.924 -8.563 738 HD23 LEU 95 2HD2 LEU 95 3.713 6.251 -8.792 739 H ARG 96 HN ARG 96 2.644 9.664 -9.766 740 HA ARG 96 HA ARG 96 2.217 12.537 -9.402 741 HB2 ARG 96 2HB ARG 96 2.352 11.008 -12.003 742 HB3 ARG 96 1HB ARG 96 1.641 12.609 -11.872 743 HG2 ARG 96 2HG ARG 96 3.785 13.485 -11.079 744 HG3 ARG 96 1HG ARG 96 4.492 11.878 -11.238 745 HD2 ARG 96 2HD ARG 96 4.077 11.912 -13.630 746 HD3 ARG 96 1HD ARG 96 3.290 13.486 -13.488 747 HE ARG 96 HE ARG 96 5.749 13.882 -12.408 748 HH11 ARG 96 1HH1 ARG 96 4.634 12.671 -15.505 749 HH12 ARG 96 2HH1 ARG 96 6.019 13.246 -16.366 750 HH21 ARG 96 1HH2 ARG 96 7.577 14.642 -13.542 751 HH22 ARG 96 2HH2 ARG 96 7.697 14.364 -15.246 752 H THR 97 HN THR 97 0.007 13.071 -10.578 753 HA THR 97 HA THR 97 -1.996 11.761 -9.136 754 HB THR 97 HB THR 97 -2.238 13.500 -11.600 755 HG1 THR 97 1HG THR 97 -2.103 14.021 -8.809 756 HG21 THR 97 3HG2 THR 97 -4.531 13.945 -10.804 757 HG22 THR 97 1HG2 THR 97 -4.310 12.748 -9.528 758 HG23 THR 97 2HG2 THR 97 -4.299 12.246 -11.219 759 H GLY 98 HN GLY 98 -2.551 9.698 -9.417 760 HA2 GLY 98 2HA GLY 98 -3.836 8.104 -10.607 761 HA3 GLY 98 1HA GLY 98 -3.304 8.835 -12.112 762 H GLU 99 HN GLU 99 -0.843 8.368 -9.791 763 HA GLU 99 HA GLU 99 0.100 6.042 -11.324 764 HB2 GLU 99 2HB GLU 99 1.655 8.140 -9.824 765 HB3 GLU 99 1HB GLU 99 2.378 6.689 -10.505 766 HG2 GLU 99 2HG GLU 99 1.031 8.924 -11.991 767 HG3 GLU 99 1HG GLU 99 2.746 8.509 -11.999 768 H MET 100 HN MET 100 1.033 4.293 -10.262 769 HA MET 100 HA MET 100 0.566 4.186 -7.365 770 HB2 MET 100 2HB MET 100 -1.246 3.027 -8.587 771 HB3 MET 100 1HB MET 100 -0.049 1.991 -9.347 772 HG2 MET 100 2HG MET 100 0.453 0.908 -7.326 773 HG3 MET 100 1HG MET 100 -0.367 2.139 -6.370 774 HE1 MET 100 3HE MET 100 -2.626 -0.817 -9.107 775 HE2 MET 100 1HE MET 100 -0.874 -0.820 -8.928 776 HE3 MET 100 2HE MET 100 -1.676 0.542 -9.709 777 H SER 101 HN SER 101 2.233 3.488 -6.232 778 HA SER 101 HA SER 101 4.670 2.779 -7.617 779 HB2 SER 101 2HB SER 101 4.697 4.374 -5.720 780 HB3 SER 101 1HB SER 101 4.139 3.094 -4.647 781 HG SER 101 HG SER 101 6.081 2.238 -4.642 782 H GLY 102 HN GLY 102 5.998 0.950 -6.891 783 HA2 GLY 102 2HA GLY 102 4.396 -1.451 -6.738 784 HA3 GLY 102 1HA GLY 102 6.134 -1.357 -6.979 785 HA PRO 103 HA PRO 103 5.789 -3.034 -2.769 786 HB2 PRO 103 2HB PRO 103 8.649 -3.595 -3.208 787 HB3 PRO 103 1HB PRO 103 7.343 -4.707 -2.790 788 HG2 PRO 103 2HG PRO 103 8.455 -4.706 -5.231 789 HG3 PRO 103 1HG PRO 103 6.727 -5.027 -4.994 790 HD2 PRO 103 2HD PRO 103 8.083 -2.517 -5.903 791 HD3 PRO 103 1HD PRO 103 6.590 -3.276 -6.499 792 H VAL 104 HN VAL 104 5.654 -1.270 -1.464 793 HA VAL 104 HA VAL 104 8.127 0.250 -0.979 794 HB VAL 104 HB VAL 104 5.281 1.076 -0.350 795 HG11 VAL 104 1HG1 VAL 104 7.867 2.623 -0.170 796 HG12 VAL 104 2HG1 VAL 104 6.900 2.048 1.189 797 HG13 VAL 104 3HG1 VAL 104 6.254 3.283 0.108 798 HG21 VAL 104 3HG2 VAL 104 5.528 2.686 -2.177 799 HG22 VAL 104 1HG2 VAL 104 5.682 1.030 -2.759 800 HG23 VAL 104 2HG2 VAL 104 7.120 2.027 -2.546 801 H PHE 105 HN PHE 105 9.119 -0.105 0.877 802 HA PHE 105 HA PHE 105 7.717 -1.529 3.017 803 HB2 PHE 105 2HB PHE 105 10.656 -0.991 2.531 804 HB3 PHE 105 1HB PHE 105 10.032 -1.803 3.961 805 HD1 PHE 105 2HD PHE 105 10.334 -2.057 0.281 806 HD2 PHE 105 1HD PHE 105 9.512 -4.089 3.924 807 HE1 PHE 105 2HE PHE 105 10.433 -4.211 -0.904 808 HE2 PHE 105 1HE PHE 105 9.611 -6.248 2.749 809 HZ PHE 105 HZ PHE 105 10.073 -6.309 0.332 810 H THR 106 HN THR 106 7.050 -0.464 4.791 811 HA THR 106 HA THR 106 8.137 2.235 5.206 812 HB THR 106 HB THR 106 5.992 2.755 6.367 813 HG1 THR 106 1HG THR 106 4.901 1.014 6.897 814 HG21 THR 106 3HG2 THR 106 4.639 2.935 4.320 815 HG22 THR 106 1HG2 THR 106 5.724 1.807 3.507 816 HG23 THR 106 2HG2 THR 106 6.318 3.386 4.020 817 H ASP 107 HN ASP 107 6.579 -0.362 7.105 818 HA ASP 107 HA ASP 107 8.544 0.076 9.211 819 HB2 ASP 107 2HB ASP 107 6.833 0.343 10.946 820 HB3 ASP 107 1HB ASP 107 6.740 1.634 9.754 821 H SER 108 HN SER 108 5.579 -1.762 8.422 822 HA SER 108 HA SER 108 6.830 -4.051 9.764 823 HB2 SER 108 2HB SER 108 3.885 -3.563 9.327 824 HB3 SER 108 1HB SER 108 4.611 -4.880 10.244 825 HG SER 108 HG SER 108 4.799 -2.098 10.861 826 H GLY 109 HN GLY 109 4.593 -3.281 7.084 827 HA2 GLY 109 2HA GLY 109 5.705 -5.638 5.711 828 HA3 GLY 109 1HA GLY 109 3.978 -5.320 5.730 829 H ILE 110 HN ILE 110 4.414 -5.505 3.386 830 HA ILE 110 HA ILE 110 5.651 -3.173 2.164 831 HB ILE 110 HB ILE 110 4.291 -5.490 0.771 832 HG12 ILE 110 2HG1 ILE 110 7.228 -5.220 1.460 833 HG13 ILE 110 1HG1 ILE 110 6.101 -6.299 2.274 834 HG21 ILE 110 1HG2 ILE 110 5.749 -4.828 -1.104 835 HG22 ILE 110 2HG2 ILE 110 6.337 -3.473 -0.144 836 HG23 ILE 110 3HG2 ILE 110 4.642 -3.544 -0.623 837 HD11 ILE 110 3HD1 ILE 110 7.459 -7.491 0.651 838 HD12 ILE 110 1HD1 ILE 110 6.881 -6.425 -0.631 839 HD13 ILE 110 2HD1 ILE 110 5.758 -7.513 0.184 840 H HIS 111 HN HIS 111 4.511 -1.594 1.124 841 HA HIS 111 HA HIS 111 1.575 -1.823 1.225 842 HB2 HIS 111 2HB HIS 111 3.281 0.635 1.622 843 HB3 HIS 111 1HB HIS 111 1.536 0.666 1.433 844 HD1 HIS 111 1HD HIS 111 0.138 0.181 3.498 845 HD2 HIS 111 2HD HIS 111 4.190 -0.517 4.056 846 HE1 HIS 111 1HE HIS 111 0.433 -0.121 5.965 847 HE2 HIS 111 2HE HIS 111 2.915 -0.265 6.280 848 H ILE 112 HN ILE 112 0.419 -1.153 -0.488 849 HA ILE 112 HA ILE 112 1.893 -0.431 -2.919 850 HB ILE 112 HB ILE 112 -1.047 -1.139 -2.651 851 HG12 ILE 112 2HG1 ILE 112 1.250 -2.903 -3.507 852 HG13 ILE 112 1HG1 ILE 112 0.380 -3.039 -1.982 853 HG21 ILE 112 1HG2 ILE 112 0.771 -0.985 -5.057 854 HG22 ILE 112 2HG2 ILE 112 -0.487 0.174 -4.629 855 HG23 ILE 112 3HG2 ILE 112 -0.922 -1.475 -5.079 856 HD11 ILE 112 3HD1 ILE 112 -0.367 -4.720 -3.563 857 HD12 ILE 112 1HD1 ILE 112 -0.775 -3.463 -4.731 858 HD13 ILE 112 2HD1 ILE 112 -1.666 -3.579 -3.214 859 H ILE 113 HN ILE 113 1.989 1.684 -3.356 860 HA ILE 113 HA ILE 113 0.046 3.435 -2.028 861 HB ILE 113 HB ILE 113 2.762 4.134 -3.161 862 HG12 ILE 113 2HG1 ILE 113 1.821 3.852 -0.297 863 HG13 ILE 113 1HG1 ILE 113 2.870 2.722 -1.145 864 HG21 ILE 113 1HG2 ILE 113 0.818 5.811 -1.571 865 HG22 ILE 113 2HG2 ILE 113 1.205 6.015 -3.279 866 HG23 ILE 113 3HG2 ILE 113 2.442 6.300 -2.054 867 HD11 ILE 113 3HD1 ILE 113 4.578 4.451 -1.332 868 HD12 ILE 113 1HD1 ILE 113 4.131 4.162 0.348 869 HD13 ILE 113 2HD1 ILE 113 3.522 5.588 -0.493 870 H LEU 114 HN LEU 114 -1.583 3.964 -3.264 871 HA LEU 114 HA LEU 114 -1.115 4.533 -6.111 872 HB2 LEU 114 2HB LEU 114 -2.816 2.873 -5.791 873 HB3 LEU 114 1HB LEU 114 -3.615 3.842 -4.571 874 HG LEU 114 HG LEU 114 -4.161 5.518 -6.355 875 HD11 LEU 114 1HD1 LEU 114 -3.212 3.353 -8.216 876 HD12 LEU 114 2HD1 LEU 114 -2.416 4.904 -7.947 877 HD13 LEU 114 3HD1 LEU 114 -4.020 4.850 -8.680 878 HD21 LEU 114 3HD2 LEU 114 -5.982 4.200 -7.323 879 HD22 LEU 114 1HD2 LEU 114 -5.809 3.904 -5.593 880 HD23 LEU 114 2HD2 LEU 114 -5.208 2.720 -6.755 881 H ARG 115 HN ARG 115 -0.652 6.639 -6.366 882 HA ARG 115 HA ARG 115 -1.888 8.599 -4.629 883 HB2 ARG 115 2HB ARG 115 0.458 8.928 -5.217 884 HB3 ARG 115 1HB ARG 115 0.047 8.952 -6.927 885 HG2 ARG 115 2HG ARG 115 -1.243 10.992 -6.607 886 HG3 ARG 115 1HG ARG 115 -0.881 10.962 -4.880 887 HD2 ARG 115 2HD ARG 115 1.467 11.263 -5.325 888 HD3 ARG 115 1HD ARG 115 1.190 11.131 -7.062 889 HE ARG 115 HE ARG 115 -0.401 13.210 -6.293 890 HH11 ARG 115 1HH1 ARG 115 3.023 12.492 -5.908 891 HH12 ARG 115 2HH1 ARG 115 3.511 14.148 -5.992 892 HH21 ARG 115 1HH2 ARG 115 0.255 15.405 -6.388 893 HH22 ARG 115 2HH2 ARG 115 1.931 15.815 -6.269 894 H THR 116 HN THR 116 -3.952 8.834 -5.063 895 HA THR 116 HA THR 116 -5.052 8.733 -7.690 896 HB THR 116 HB THR 116 -6.348 9.808 -5.183 897 HG1 THR 116 1HG THR 116 -5.656 7.216 -5.954 898 HG21 THR 116 3HG2 THR 116 -8.419 9.050 -6.246 899 HG22 THR 116 1HG2 THR 116 -7.504 8.474 -7.639 900 HG23 THR 116 2HG2 THR 116 -7.577 10.199 -7.283 901 H GLU 117 HN GLU 117 -4.129 11.280 -5.429 902 HA GLU 117 HA GLU 117 -4.388 13.248 -7.575 903 HB2 GLU 117 2HB GLU 117 -5.525 13.604 -4.788 904 HB3 GLU 117 1HB GLU 117 -5.404 14.872 -5.996 905 HG2 GLU 117 2HG GLU 117 -6.968 13.767 -7.421 906 HG3 GLU 117 1HG GLU 117 -6.968 12.336 -6.396 Start of MODEL 9 1 H1 GLY 1 1HT GLY 1 8.803 20.185 -5.685 2 H2 GLY 1 2HT GLY 1 10.112 21.231 -5.480 3 H3 GLY 1 3HT GLY 1 10.263 19.603 -5.049 4 HA2 GLY 1 1HA GLY 1 11.392 19.935 -7.110 5 HA3 GLY 1 2HA GLY 1 9.946 18.978 -7.395 6 H SER 2 HN SER 2 8.056 20.083 -8.254 7 HA SER 2 HA SER 2 8.801 22.019 -10.241 8 HB2 SER 2 2HB SER 2 6.070 20.906 -9.542 9 HB3 SER 2 1HB SER 2 6.493 21.786 -11.013 10 HG SER 2 HG SER 2 7.481 20.071 -11.786 11 H HIS 3 HN HIS 3 7.638 24.074 -10.517 12 HA HIS 3 HA HIS 3 7.555 25.578 -8.105 13 HB2 HIS 3 2HB HIS 3 6.699 26.253 -10.924 14 HB3 HIS 3 1HB HIS 3 6.626 27.404 -9.597 15 HD1 HIS 3 1HD HIS 3 8.842 26.165 -12.182 16 HD2 HIS 3 2HD HIS 3 9.287 27.891 -8.430 17 HE1 HIS 3 1HE HIS 3 11.218 26.976 -12.085 18 HE2 HIS 3 2HE HIS 3 11.409 28.152 -9.865 19 H MET 4 HN MET 4 5.142 24.227 -10.242 20 HA MET 4 HA MET 4 3.009 24.967 -8.394 21 HB2 MET 4 2HB MET 4 2.662 25.289 -10.835 22 HB3 MET 4 1HB MET 4 2.896 23.566 -11.076 23 HG2 MET 4 2HG MET 4 0.915 23.136 -9.671 24 HG3 MET 4 1HG MET 4 0.660 24.876 -9.547 25 HE1 MET 4 3HE MET 4 0.307 22.429 -13.449 26 HE2 MET 4 1HE MET 4 0.593 21.724 -11.860 27 HE3 MET 4 2HE MET 4 1.848 22.688 -12.635 28 H GLU 5 HN GLU 5 3.511 23.608 -6.680 29 HA GLU 5 HA GLU 5 3.253 20.738 -7.235 30 HB2 GLU 5 2HB GLU 5 5.591 21.353 -6.742 31 HB3 GLU 5 1HB GLU 5 5.076 22.033 -5.206 32 HG2 GLU 5 2HG GLU 5 4.374 19.847 -4.443 33 HG3 GLU 5 1HG GLU 5 4.804 19.147 -6.003 34 HA PRO 6 HA PRO 6 -0.213 21.269 -4.424 35 HB2 PRO 6 2HB PRO 6 -0.110 18.303 -4.492 36 HB3 PRO 6 1HB PRO 6 -1.464 19.385 -4.829 37 HG2 PRO 6 2HG PRO 6 -0.212 18.111 -6.806 38 HG3 PRO 6 1HG PRO 6 -0.783 19.777 -7.008 39 HD2 PRO 6 2HD PRO 6 1.988 18.768 -6.514 40 HD3 PRO 6 1HD PRO 6 1.433 20.088 -7.564 41 H ALA 7 HN ALA 7 -0.191 21.440 -2.283 42 HA ALA 7 HA ALA 7 2.004 20.290 -0.775 43 HB1 ALA 7 1HB ALA 7 1.176 21.682 1.064 44 HB2 ALA 7 2HB ALA 7 -0.220 22.140 0.088 45 HB3 ALA 7 3HB ALA 7 1.402 22.628 -0.408 46 H ARG 8 HN ARG 8 -1.345 19.779 -1.333 47 HA ARG 8 HA ARG 8 -1.417 17.724 0.769 48 HB2 ARG 8 2HB ARG 8 -3.715 19.170 -0.563 49 HB3 ARG 8 1HB ARG 8 -3.869 17.921 0.662 50 HG2 ARG 8 2HG ARG 8 -2.776 19.347 2.290 51 HG3 ARG 8 1HG ARG 8 -2.547 20.592 1.059 52 HD2 ARG 8 2HD ARG 8 -4.983 20.741 0.789 53 HD3 ARG 8 1HD ARG 8 -5.185 19.536 2.060 54 HE ARG 8 HE ARG 8 -3.712 21.450 3.265 55 HH11 ARG 8 1HH1 ARG 8 -6.699 21.523 1.447 56 HH12 ARG 8 2HH1 ARG 8 -7.341 22.893 2.284 57 HH21 ARG 8 1HH2 ARG 8 -4.558 23.285 4.397 58 HH22 ARG 8 2HH2 ARG 8 -6.113 23.896 3.967 59 H VAL 9 HN VAL 9 -1.527 15.690 0.123 60 HA VAL 9 HA VAL 9 -2.373 15.152 -2.640 61 HB VAL 9 HB VAL 9 -0.720 13.298 -2.721 62 HG11 VAL 9 1HG1 VAL 9 -0.176 15.437 -3.739 63 HG12 VAL 9 2HG1 VAL 9 1.268 14.696 -3.050 64 HG13 VAL 9 3HG1 VAL 9 0.469 16.021 -2.205 65 HG21 VAL 9 3HG2 VAL 9 1.122 13.257 -1.079 66 HG22 VAL 9 1HG2 VAL 9 -0.439 12.898 -0.338 67 HG23 VAL 9 2HG2 VAL 9 0.288 14.492 -0.135 68 H ARG 10 HN ARG 10 -3.605 13.338 -2.961 69 HA ARG 10 HA ARG 10 -4.409 11.935 -0.501 70 HB2 ARG 10 2HB ARG 10 -6.243 13.209 -1.584 71 HB3 ARG 10 1HB ARG 10 -6.002 12.259 -3.047 72 HG2 ARG 10 2HG ARG 10 -6.660 10.249 -1.939 73 HG3 ARG 10 1HG ARG 10 -6.714 11.070 -0.381 74 HD2 ARG 10 2HD ARG 10 -8.489 12.561 -1.375 75 HD3 ARG 10 1HD ARG 10 -8.539 11.441 -2.738 76 HE ARG 10 HE ARG 10 -8.824 9.835 -0.549 77 HH11 ARG 10 1HH1 ARG 10 -10.547 12.609 -1.815 78 HH12 ARG 10 2HH1 ARG 10 -12.056 12.175 -1.096 79 HH21 ARG 10 1HH2 ARG 10 -10.786 9.274 0.447 80 HH22 ARG 10 2HH2 ARG 10 -12.197 10.257 0.209 81 H CYS 11 HN CYS 11 -3.836 9.901 -0.368 82 HA CYS 11 HA CYS 11 -3.421 8.399 -2.843 83 HB2 CYS 11 2HB CYS 11 -1.527 8.418 -0.489 84 HB3 CYS 11 1HB CYS 11 -1.385 7.394 -1.911 85 HG CYS 11 HG CYS 11 0.457 9.626 -1.775 86 H SER 12 HN SER 12 -3.234 6.068 -2.426 87 HA SER 12 HA SER 12 -4.786 5.218 -0.084 88 HB2 SER 12 2HB SER 12 -4.796 3.954 -2.841 89 HB3 SER 12 1HB SER 12 -5.800 3.493 -1.465 90 HG SER 12 HG SER 12 -6.161 6.080 -1.864 91 H HIS 13 HN HIS 13 -4.069 3.269 0.902 92 HA HIS 13 HA HIS 13 -1.419 2.398 -0.035 93 HB2 HIS 13 2HB HIS 13 -0.568 2.262 2.212 94 HB3 HIS 13 1HB HIS 13 -1.208 3.874 1.956 95 HD1 HIS 13 1HD HIS 13 -0.928 1.709 4.591 96 HD2 HIS 13 2HD HIS 13 -4.229 3.616 2.952 97 HE1 HIS 13 1HE HIS 13 -2.660 1.736 6.403 98 HE2 HIS 13 2HE HIS 13 -4.493 3.185 5.477 99 H LEU 14 HN LEU 14 -1.137 0.335 -0.327 100 HA LEU 14 HA LEU 14 -3.093 -1.530 0.822 101 HB2 LEU 14 2HB LEU 14 -2.828 -1.528 -1.660 102 HB3 LEU 14 1HB LEU 14 -1.144 -1.965 -1.448 103 HG LEU 14 HG LEU 14 -1.924 -4.065 -0.298 104 HD11 LEU 14 1HD1 LEU 14 -4.582 -3.260 -1.432 105 HD12 LEU 14 2HD1 LEU 14 -4.153 -3.262 0.277 106 HD13 LEU 14 3HD1 LEU 14 -4.195 -4.780 -0.624 107 HD21 LEU 14 3HD2 LEU 14 -2.585 -5.185 -2.407 108 HD22 LEU 14 1HD2 LEU 14 -1.156 -4.164 -2.560 109 HD23 LEU 14 2HD2 LEU 14 -2.714 -3.597 -3.166 110 H LEU 15 HN LEU 15 -2.417 -2.641 2.517 111 HA LEU 15 HA LEU 15 0.472 -3.039 2.817 112 HB2 LEU 15 2HB LEU 15 -0.075 -1.578 4.530 113 HB3 LEU 15 1HB LEU 15 -1.621 -2.333 4.827 114 HG LEU 15 HG LEU 15 -0.483 -4.249 5.887 115 HD11 LEU 15 1HD1 LEU 15 2.044 -2.677 5.420 116 HD12 LEU 15 2HD1 LEU 15 1.610 -4.208 4.656 117 HD13 LEU 15 3HD1 LEU 15 1.905 -4.141 6.393 118 HD21 LEU 15 3HD2 LEU 15 0.294 -3.083 7.896 119 HD22 LEU 15 1HD2 LEU 15 -1.200 -2.384 7.272 120 HD23 LEU 15 2HD2 LEU 15 0.339 -1.569 6.994 121 H VAL 16 HN VAL 16 1.090 -4.998 2.629 122 HA VAL 16 HA VAL 16 -0.668 -7.177 3.517 123 HB VAL 16 HB VAL 16 1.473 -7.270 1.363 124 HG11 VAL 16 1HG1 VAL 16 -0.471 -9.388 2.281 125 HG12 VAL 16 2HG1 VAL 16 1.271 -9.384 2.555 126 HG13 VAL 16 3HG1 VAL 16 0.637 -9.532 0.916 127 HG21 VAL 16 3HG2 VAL 16 -0.380 -7.594 -0.213 128 HG22 VAL 16 1HG2 VAL 16 -0.493 -6.037 0.609 129 HG23 VAL 16 2HG2 VAL 16 -1.534 -7.373 1.103 130 H LYS 17 HN LYS 17 0.057 -7.713 5.489 131 HA LYS 17 HA LYS 17 2.804 -7.296 6.191 132 HB2 LYS 17 2HB LYS 17 0.476 -8.426 7.723 133 HB3 LYS 17 1HB LYS 17 2.108 -8.430 8.377 134 HG2 LYS 17 2HG LYS 17 2.116 -5.920 7.959 135 HG3 LYS 17 1HG LYS 17 0.378 -6.070 7.697 136 HD2 LYS 17 2HD LYS 17 1.807 -6.975 10.201 137 HD3 LYS 17 1HD LYS 17 1.015 -5.411 10.022 138 HE2 LYS 17 2HE LYS 17 -0.353 -8.089 9.738 139 HE3 LYS 17 1HE LYS 17 -0.377 -7.094 11.193 140 HZ1 LYS 17 3HZ LYS 17 -2.364 -6.666 9.996 141 HZ2 LYS 17 1HZ LYS 17 -1.535 -6.447 8.539 142 HZ3 LYS 17 2HZ LYS 17 -1.381 -5.313 9.785 143 H HIS 18 HN HIS 18 3.956 -9.044 7.418 144 HA HIS 18 HA HIS 18 3.672 -11.651 6.159 145 HB2 HIS 18 2HB HIS 18 6.239 -11.647 5.868 146 HB3 HIS 18 1HB HIS 18 5.282 -10.764 4.687 147 HD1 HIS 18 1HD HIS 18 6.722 -9.695 8.077 148 HD2 HIS 18 2HD HIS 18 6.667 -8.531 4.086 149 HE1 HIS 18 1HE HIS 18 7.998 -7.536 7.984 150 HE2 HIS 18 2HE HIS 18 8.112 -6.963 5.537 151 H SER 19 HN SER 19 4.827 -13.317 7.271 152 HA SER 19 HA SER 19 4.436 -13.381 9.987 153 HB2 SER 19 2HB SER 19 6.097 -15.326 9.874 154 HB3 SER 19 1HB SER 19 4.670 -15.416 8.839 155 HG SER 19 HG SER 19 6.528 -15.923 7.657 156 H GLN 20 HN GLN 20 7.350 -12.474 8.244 157 HA GLN 20 HA GLN 20 9.029 -12.272 10.539 158 HB2 GLN 20 2HB GLN 20 9.303 -11.337 7.695 159 HB3 GLN 20 1HB GLN 20 10.539 -11.025 8.903 160 HG2 GLN 20 2HG GLN 20 10.867 -13.394 9.240 161 HG3 GLN 20 1HG GLN 20 9.544 -13.761 8.134 162 HE21 GLN 20 1HE2 GLN 20 9.890 -13.669 5.951 163 HE22 GLN 20 2HE2 GLN 20 11.450 -13.421 5.253 164 H SER 21 HN SER 21 6.543 -10.696 10.702 165 HA SER 21 HA SER 21 7.697 -8.010 11.073 166 HB2 SER 21 2HB SER 21 5.756 -8.160 9.469 167 HB3 SER 21 1HB SER 21 4.762 -8.742 10.801 168 HG SER 21 HG SER 21 5.103 -6.277 10.137 169 H ARG 22 HN ARG 22 6.222 -6.882 12.925 170 HA ARG 22 HA ARG 22 6.733 -8.507 15.277 171 HB2 ARG 22 2HB ARG 22 5.643 -5.694 15.100 172 HB3 ARG 22 1HB ARG 22 6.100 -6.515 16.579 173 HG2 ARG 22 2HG ARG 22 7.906 -5.142 16.140 174 HG3 ARG 22 1HG ARG 22 8.431 -6.703 15.508 175 HD2 ARG 22 2HD ARG 22 8.948 -4.836 13.993 176 HD3 ARG 22 1HD ARG 22 7.861 -6.019 13.264 177 HE ARG 22 HE ARG 22 6.111 -4.259 14.209 178 HH11 ARG 22 1HH1 ARG 22 9.076 -3.751 12.431 179 HH12 ARG 22 2HH1 ARG 22 8.531 -2.272 11.719 180 HH21 ARG 22 1HH2 ARG 22 5.388 -2.296 13.233 181 HH22 ARG 22 2HH2 ARG 22 6.464 -1.455 12.162 182 H ARG 23 HN ARG 23 4.033 -7.423 13.409 183 HA ARG 23 HA ARG 23 2.237 -8.641 15.378 184 HB2 ARG 23 2HB ARG 23 1.878 -6.214 14.819 185 HB3 ARG 23 1HB ARG 23 1.466 -6.718 13.186 186 HG2 ARG 23 2HG ARG 23 -0.553 -6.364 14.427 187 HG3 ARG 23 1HG ARG 23 -0.370 -8.092 14.118 188 HD2 ARG 23 2HD ARG 23 -1.092 -7.718 16.406 189 HD3 ARG 23 1HD ARG 23 0.537 -8.383 16.388 190 HE ARG 23 HE ARG 23 0.635 -5.560 16.455 191 HH11 ARG 23 1HH1 ARG 23 -0.038 -8.332 18.493 192 HH12 ARG 23 2HH1 ARG 23 0.330 -7.505 19.964 193 HH21 ARG 23 1HH2 ARG 23 1.139 -4.462 18.409 194 HH22 ARG 23 2HH2 ARG 23 0.996 -5.293 19.918 195 HA PRO 24 HA PRO 24 1.833 -11.559 11.966 196 HB2 PRO 24 2HB PRO 24 1.729 -13.769 13.433 197 HB3 PRO 24 1HB PRO 24 3.252 -12.888 13.256 198 HG2 PRO 24 2HG PRO 24 1.373 -12.972 15.569 199 HG3 PRO 24 1HG PRO 24 3.140 -12.870 15.563 200 HD2 PRO 24 2HD PRO 24 1.334 -10.722 15.866 201 HD3 PRO 24 1HD PRO 24 3.078 -10.598 15.566 202 H SER 25 HN SER 25 -0.371 -9.986 13.179 203 HA SER 25 HA SER 25 -2.511 -11.853 12.626 204 HB2 SER 25 2HB SER 25 -3.726 -11.066 14.725 205 HB3 SER 25 1HB SER 25 -2.384 -12.185 14.972 206 HG SER 25 HG SER 25 -1.981 -10.608 16.399 207 H SER 26 HN SER 26 -4.558 -10.797 12.266 208 HA SER 26 HA SER 26 -4.560 -7.896 12.062 209 HB2 SER 26 2HB SER 26 -5.216 -7.911 9.720 210 HB3 SER 26 1HB SER 26 -3.680 -8.761 9.886 211 H TRP 27 HN TRP 27 -6.921 -7.750 10.546 212 HA TRP 27 HA TRP 27 -8.852 -8.678 12.502 213 HB2 TRP 27 2HB TRP 27 -10.444 -7.245 11.248 214 HB3 TRP 27 1HB TRP 27 -9.023 -6.359 11.790 215 HD1 TRP 27 1HD TRP 27 -7.382 -5.417 9.928 216 HE1 TRP 27 1HE TRP 27 -7.624 -5.093 7.389 217 HE3 TRP 27 3HE TRP 27 -11.524 -8.307 9.126 218 HZ2 TRP 27 2HZ TRP 27 -9.334 -5.951 5.321 219 HZ3 TRP 27 3HZ TRP 27 -12.395 -8.501 6.834 220 HH2 TRP 27 2HH TRP 27 -11.321 -7.345 4.975 221 H ARG 28 HN ARG 28 -7.485 -9.897 9.750 222 HA ARG 28 HA ARG 28 -9.874 -11.512 9.205 223 HB2 ARG 28 2HB ARG 28 -9.327 -11.499 6.812 224 HB3 ARG 28 1HB ARG 28 -9.708 -9.896 7.420 225 HG2 ARG 28 2HG ARG 28 -7.368 -9.309 7.451 226 HG3 ARG 28 1HG ARG 28 -6.925 -10.951 6.968 227 HD2 ARG 28 2HD ARG 28 -8.511 -8.955 5.360 228 HD3 ARG 28 1HD ARG 28 -6.864 -9.498 5.043 229 HE ARG 28 HE ARG 28 -9.183 -11.319 4.942 230 HH11 ARG 28 1HH1 ARG 28 -6.219 -10.063 3.543 231 HH12 ARG 28 2HH1 ARG 28 -6.205 -11.211 2.254 232 HH21 ARG 28 1HH2 ARG 28 -9.167 -12.814 3.234 233 HH22 ARG 28 2HH2 ARG 28 -7.883 -12.782 2.075 234 H GLN 29 HN GLN 29 -6.801 -11.558 10.268 235 HA GLN 29 HA GLN 29 -6.573 -14.396 9.727 236 HB2 GLN 29 2HB GLN 29 -5.311 -13.258 7.901 237 HB3 GLN 29 1HB GLN 29 -4.316 -12.473 9.114 238 HG2 GLN 29 2HG GLN 29 -3.106 -14.320 8.206 239 HG3 GLN 29 1HG GLN 29 -3.548 -14.707 9.867 240 HE21 GLN 29 1HE2 GLN 29 -2.837 -16.451 7.652 241 HE22 GLN 29 2HE2 GLN 29 -4.163 -17.540 7.441 242 H GLU 30 HN GLU 30 -5.939 -15.425 11.520 243 HA GLU 30 HA GLU 30 -5.348 -13.839 13.852 244 HB2 GLU 30 2HB GLU 30 -5.627 -16.826 13.527 245 HB3 GLU 30 1HB GLU 30 -5.433 -15.993 15.062 246 HG2 GLU 30 2HG GLU 30 -7.735 -15.673 13.150 247 HG3 GLU 30 1HG GLU 30 -7.755 -16.569 14.668 248 H LYS 31 HN LYS 31 -3.638 -15.951 11.665 249 HA LYS 31 HA LYS 31 -1.170 -15.069 12.929 250 HB2 LYS 31 2HB LYS 31 -0.180 -17.334 12.758 251 HB3 LYS 31 1HB LYS 31 -1.480 -17.229 13.929 252 HG2 LYS 31 2HG LYS 31 -2.999 -18.329 12.393 253 HG3 LYS 31 1HG LYS 31 -1.752 -18.352 11.145 254 HD2 LYS 31 2HD LYS 31 -1.582 -19.747 13.819 255 HD3 LYS 31 1HD LYS 31 -1.975 -20.526 12.286 256 HE2 LYS 31 2HE LYS 31 0.217 -19.913 11.398 257 HE3 LYS 31 1HE LYS 31 0.610 -19.086 12.903 258 HZ1 LYS 31 3HZ LYS 31 1.594 -21.284 12.816 259 HZ2 LYS 31 1HZ LYS 31 0.068 -21.988 12.621 260 HZ3 LYS 31 2HZ LYS 31 0.456 -21.193 14.061 261 H ILE 32 HN ILE 32 -0.305 -13.907 11.393 262 HA ILE 32 HA ILE 32 -0.554 -14.430 8.613 263 HB ILE 32 HB ILE 32 1.558 -12.761 10.018 264 HG12 ILE 32 2HG1 ILE 32 -0.754 -12.012 10.542 265 HG13 ILE 32 1HG1 ILE 32 0.139 -10.827 9.596 266 HG21 ILE 32 1HG2 ILE 32 0.616 -12.716 7.155 267 HG22 ILE 32 2HG2 ILE 32 2.162 -13.338 7.729 268 HG23 ILE 32 3HG2 ILE 32 1.798 -11.619 7.869 269 HD11 ILE 32 3HD1 ILE 32 -2.149 -11.007 8.828 270 HD12 ILE 32 1HD1 ILE 32 -1.940 -12.736 8.550 271 HD13 ILE 32 2HD1 ILE 32 -1.038 -11.572 7.581 272 H THR 33 HN THR 33 0.166 -16.329 7.907 273 HA THR 33 HA THR 33 2.702 -17.385 8.900 274 HB THR 33 HB THR 33 0.755 -18.787 7.065 275 HG1 THR 33 1HG THR 33 0.062 -17.897 9.354 276 HG21 THR 33 3HG2 THR 33 1.719 -20.803 8.111 277 HG22 THR 33 1HG2 THR 33 2.782 -19.785 9.078 278 HG23 THR 33 2HG2 THR 33 2.961 -19.830 7.325 279 H ARG 34 HN ARG 34 1.471 -15.630 6.311 280 HA ARG 34 HA ARG 34 3.110 -16.707 4.232 281 HB2 ARG 34 2HB ARG 34 2.299 -14.920 2.861 282 HB3 ARG 34 1HB ARG 34 0.948 -15.455 3.849 283 HG2 ARG 34 2HG ARG 34 1.276 -13.556 5.341 284 HG3 ARG 34 1HG ARG 34 2.654 -13.027 4.379 285 HD2 ARG 34 2HD ARG 34 1.076 -11.720 3.419 286 HD3 ARG 34 1HD ARG 34 0.820 -13.164 2.447 287 HE ARG 34 HE ARG 34 -1.109 -13.668 3.788 288 HH11 ARG 34 1HH1 ARG 34 0.325 -10.528 4.421 289 HH12 ARG 34 2HH1 ARG 34 -1.145 -9.803 4.983 290 HH21 ARG 34 1HH2 ARG 34 -3.081 -12.721 4.573 291 HH22 ARG 34 2HH2 ARG 34 -3.073 -11.069 5.084 292 H THR 35 HN THR 35 5.172 -16.257 3.780 293 HA THR 35 HA THR 35 6.534 -14.317 5.453 294 HB THR 35 HB THR 35 7.606 -16.507 5.109 295 HG1 THR 35 1HG THR 35 9.539 -15.220 3.803 296 HG21 THR 35 3HG2 THR 35 8.583 -17.077 2.918 297 HG22 THR 35 1HG2 THR 35 7.784 -15.673 2.212 298 HG23 THR 35 2HG2 THR 35 6.822 -17.003 2.860 299 H LYS 36 HN LYS 36 8.467 -13.214 3.999 300 HA LYS 36 HA LYS 36 7.113 -11.129 2.670 301 HB2 LYS 36 2HB LYS 36 9.264 -10.799 3.806 302 HB3 LYS 36 1HB LYS 36 10.051 -11.809 2.601 303 HG2 LYS 36 2HG LYS 36 9.434 -10.192 0.858 304 HG3 LYS 36 1HG LYS 36 8.688 -9.173 2.087 305 HD2 LYS 36 2HD LYS 36 10.909 -8.354 1.547 306 HD3 LYS 36 1HD LYS 36 10.866 -8.957 3.204 307 HE2 LYS 36 2HE LYS 36 11.929 -11.013 2.525 308 HE3 LYS 36 1HE LYS 36 11.866 -10.529 0.832 309 HZ1 LYS 36 3HZ LYS 36 13.346 -9.052 2.931 310 HZ2 LYS 36 1HZ LYS 36 13.393 -8.773 1.264 311 HZ3 LYS 36 2HZ LYS 36 14.052 -10.193 1.905 312 H GLU 37 HN GLU 37 9.043 -13.839 1.440 313 HA GLU 37 HA GLU 37 9.029 -13.157 -1.261 314 HB2 GLU 37 2HB GLU 37 8.822 -15.995 -0.254 315 HB3 GLU 37 1HB GLU 37 9.559 -15.439 -1.746 316 HG2 GLU 37 2HG GLU 37 11.414 -15.848 -0.479 317 HG3 GLU 37 1HG GLU 37 11.150 -14.142 -0.117 318 H GLU 38 HN GLU 38 6.678 -15.000 0.611 319 HA GLU 38 HA GLU 38 4.964 -15.645 -1.544 320 HB2 GLU 38 2HB GLU 38 4.333 -15.410 1.401 321 HB3 GLU 38 1HB GLU 38 3.329 -16.207 0.197 322 HG2 GLU 38 2HG GLU 38 5.044 -17.856 -0.193 323 HG3 GLU 38 1HG GLU 38 6.127 -17.032 0.927 324 H ALA 39 HN ALA 39 4.956 -13.038 0.849 325 HA ALA 39 HA ALA 39 2.553 -11.828 0.024 326 HB1 ALA 39 1HB ALA 39 3.330 -9.865 1.254 327 HB2 ALA 39 2HB ALA 39 4.952 -10.551 1.339 328 HB3 ALA 39 3HB ALA 39 3.616 -11.340 2.177 329 H LEU 40 HN LEU 40 5.912 -11.356 -0.955 330 HA LEU 40 HA LEU 40 5.565 -9.138 -2.622 331 HB2 LEU 40 2HB LEU 40 7.727 -10.244 -1.782 332 HB3 LEU 40 1HB LEU 40 7.540 -11.367 -3.108 333 HG LEU 40 HG LEU 40 9.175 -9.520 -3.515 334 HD11 LEU 40 1HD1 LEU 40 6.829 -9.626 -5.395 335 HD12 LEU 40 2HD1 LEU 40 8.227 -10.702 -5.394 336 HD13 LEU 40 3HD1 LEU 40 8.428 -8.994 -5.784 337 HD21 LEU 40 3HD2 LEU 40 8.354 -7.295 -4.019 338 HD22 LEU 40 1HD2 LEU 40 7.969 -7.742 -2.358 339 HD23 LEU 40 2HD2 LEU 40 6.714 -7.785 -3.598 340 H GLU 41 HN GLU 41 5.306 -12.604 -3.280 341 HA GLU 41 HA GLU 41 4.905 -12.488 -6.040 342 HB2 GLU 41 2HB GLU 41 3.811 -14.432 -4.006 343 HB3 GLU 41 1HB GLU 41 3.709 -14.663 -5.744 344 HG2 GLU 41 2HG GLU 41 6.241 -14.453 -4.135 345 HG3 GLU 41 1HG GLU 41 5.537 -15.935 -4.782 346 H LEU 42 HN LEU 42 2.628 -12.218 -3.368 347 HA LEU 42 HA LEU 42 0.288 -12.054 -4.953 348 HB2 LEU 42 2HB LEU 42 0.793 -10.943 -2.191 349 HB3 LEU 42 1HB LEU 42 -0.778 -11.183 -2.929 350 HG LEU 42 HG LEU 42 1.164 -13.377 -2.196 351 HD11 LEU 42 1HD1 LEU 42 -1.415 -12.516 -0.902 352 HD12 LEU 42 2HD1 LEU 42 0.205 -12.316 -0.234 353 HD13 LEU 42 3HD1 LEU 42 -0.463 -13.933 -0.460 354 HD21 LEU 42 3HD2 LEU 42 -0.696 -14.887 -2.712 355 HD22 LEU 42 1HD2 LEU 42 -0.196 -13.965 -4.131 356 HD23 LEU 42 2HD2 LEU 42 -1.658 -13.513 -3.254 357 H ILE 43 HN ILE 43 2.509 -9.670 -3.622 358 HA ILE 43 HA ILE 43 1.191 -7.308 -4.218 359 HB ILE 43 HB ILE 43 4.155 -7.903 -4.267 360 HG12 ILE 43 2HG1 ILE 43 3.106 -8.272 -2.097 361 HG13 ILE 43 1HG1 ILE 43 4.151 -6.861 -2.040 362 HG21 ILE 43 1HG2 ILE 43 2.811 -5.205 -4.245 363 HG22 ILE 43 2HG2 ILE 43 3.724 -5.900 -5.581 364 HG23 ILE 43 3HG2 ILE 43 4.540 -5.500 -4.070 365 HD11 ILE 43 3HD1 ILE 43 1.147 -6.856 -2.231 366 HD12 ILE 43 1HD1 ILE 43 2.170 -5.419 -2.250 367 HD13 ILE 43 2HD1 ILE 43 2.119 -6.445 -0.819 368 H ASN 44 HN ASN 44 3.465 -9.115 -6.280 369 HA ASN 44 HA ASN 44 3.407 -7.470 -8.530 370 HB2 ASN 44 2HB ASN 44 3.621 -10.488 -8.423 371 HB3 ASN 44 1HB ASN 44 3.969 -9.512 -9.843 372 HD21 ASN 44 1HD2 ASN 44 5.668 -11.313 -8.358 373 HD22 ASN 44 2HD2 ASN 44 7.029 -10.383 -7.836 374 H GLY 45 HN GLY 45 1.313 -10.181 -7.674 375 HA2 GLY 45 2HA GLY 45 -0.288 -10.220 -9.954 376 HA3 GLY 45 1HA GLY 45 -0.792 -10.759 -8.359 377 H TYR 46 HN TYR 46 -0.749 -8.439 -6.914 378 HA TYR 46 HA TYR 46 -3.218 -7.294 -7.587 379 HB2 TYR 46 2HB TYR 46 -1.081 -6.155 -5.768 380 HB3 TYR 46 1HB TYR 46 -2.764 -5.641 -5.816 381 HD1 TYR 46 1HD TYR 46 -4.162 -8.239 -5.966 382 HD2 TYR 46 2HD TYR 46 -0.800 -7.064 -3.640 383 HE1 TYR 46 1HE TYR 46 -4.715 -9.960 -4.309 384 HE2 TYR 46 2HE TYR 46 -1.344 -8.790 -1.975 385 HH TYR 46 HH TYR 46 -3.592 -11.265 -2.599 386 H ILE 47 HN ILE 47 0.057 -5.916 -7.872 387 HA ILE 47 HA ILE 47 -0.657 -3.469 -9.011 388 HB ILE 47 HB ILE 47 1.851 -5.091 -9.535 389 HG12 ILE 47 2HG1 ILE 47 1.322 -2.883 -7.533 390 HG13 ILE 47 1HG1 ILE 47 1.457 -4.596 -7.148 391 HG21 ILE 47 1HG2 ILE 47 1.319 -2.150 -9.967 392 HG22 ILE 47 2HG2 ILE 47 1.550 -3.363 -11.227 393 HG23 ILE 47 3HG2 ILE 47 2.882 -2.946 -10.150 394 HD11 ILE 47 3HD1 ILE 47 3.500 -3.390 -6.612 395 HD12 ILE 47 1HD1 ILE 47 3.643 -2.869 -8.291 396 HD13 ILE 47 2HD1 ILE 47 3.779 -4.580 -7.884 397 H GLN 48 HN GLN 48 0.106 -6.553 -10.576 398 HA GLN 48 HA GLN 48 -0.166 -5.575 -13.203 399 HB2 GLN 48 2HB GLN 48 0.113 -8.241 -11.965 400 HB3 GLN 48 1HB GLN 48 -0.624 -8.203 -13.560 401 HG2 GLN 48 2HG GLN 48 1.775 -8.572 -13.703 402 HG3 GLN 48 1HG GLN 48 1.322 -7.049 -14.456 403 HE21 GLN 48 1HE2 GLN 48 1.963 -5.110 -13.483 404 HE22 GLN 48 2HE2 GLN 48 3.199 -5.054 -12.275 405 H LYS 49 HN LYS 49 -2.516 -7.162 -11.044 406 HA LYS 49 HA LYS 49 -4.543 -7.410 -12.995 407 HB2 LYS 49 2HB LYS 49 -4.740 -7.210 -9.992 408 HB3 LYS 49 1HB LYS 49 -6.117 -7.526 -11.035 409 HG2 LYS 49 2HG LYS 49 -4.929 -9.553 -11.872 410 HG3 LYS 49 1HG LYS 49 -3.683 -9.257 -10.660 411 HD2 LYS 49 2HD LYS 49 -5.207 -10.880 -9.775 412 HD3 LYS 49 1HD LYS 49 -5.468 -9.364 -8.912 413 HE2 LYS 49 2HE LYS 49 -7.601 -10.370 -9.458 414 HE3 LYS 49 1HE LYS 49 -7.398 -8.891 -10.387 415 HZ1 LYS 49 3HZ LYS 49 -8.292 -10.694 -11.726 416 HZ2 LYS 49 1HZ LYS 49 -6.933 -11.642 -11.402 417 HZ3 LYS 49 2HZ LYS 49 -6.774 -10.222 -12.311 418 H ILE 50 HN ILE 50 -3.712 -4.781 -10.812 419 HA ILE 50 HA ILE 50 -5.993 -3.192 -11.332 420 HB ILE 50 HB ILE 50 -3.227 -2.297 -10.484 421 HG12 ILE 50 2HG1 ILE 50 -5.671 -2.828 -8.785 422 HG13 ILE 50 1HG1 ILE 50 -4.355 -3.976 -8.996 423 HG21 ILE 50 1HG2 ILE 50 -5.890 -0.879 -10.320 424 HG22 ILE 50 2HG2 ILE 50 -4.536 -0.441 -11.363 425 HG23 ILE 50 3HG2 ILE 50 -4.382 -0.302 -9.611 426 HD11 ILE 50 3HD1 ILE 50 -4.148 -2.761 -6.907 427 HD12 ILE 50 1HD1 ILE 50 -4.131 -1.235 -7.789 428 HD13 ILE 50 2HD1 ILE 50 -2.809 -2.384 -7.991 429 H LYS 51 HN LYS 51 -2.723 -3.173 -12.732 430 HA LYS 51 HA LYS 51 -3.300 -1.068 -14.551 431 HB2 LYS 51 2HB LYS 51 -1.061 -3.066 -14.403 432 HB3 LYS 51 1HB LYS 51 -1.168 -1.879 -15.696 433 HG2 LYS 51 2HG LYS 51 -1.148 -0.083 -14.015 434 HG3 LYS 51 1HG LYS 51 -0.958 -1.297 -12.749 435 HD2 LYS 51 2HD LYS 51 1.161 -1.991 -13.682 436 HD3 LYS 51 1HD LYS 51 0.950 -0.894 -15.049 437 HE2 LYS 51 2HE LYS 51 1.173 -0.051 -12.157 438 HE3 LYS 51 1HE LYS 51 2.487 -0.004 -13.332 439 HZ1 LYS 51 3HZ LYS 51 1.438 2.162 -13.079 440 HZ2 LYS 51 1HZ LYS 51 -0.058 1.524 -13.537 441 HZ3 LYS 51 2HZ LYS 51 1.218 1.580 -14.644 442 H SER 52 HN SER 52 -4.000 -4.407 -14.612 443 HA SER 52 HA SER 52 -4.336 -4.456 -17.502 444 HB2 SER 52 2HB SER 52 -4.919 -6.612 -15.457 445 HB3 SER 52 1HB SER 52 -4.910 -6.815 -17.210 446 HG SER 52 HG SER 52 -2.759 -6.329 -15.451 447 H GLY 53 HN GLY 53 -6.053 -3.230 -15.028 448 HA2 GLY 53 2HA GLY 53 -8.191 -2.393 -14.942 449 HA3 GLY 53 1HA GLY 53 -8.409 -2.956 -16.589 450 H GLU 54 HN GLU 54 -7.529 -5.112 -13.972 451 HA GLU 54 HA GLU 54 -10.035 -6.533 -14.427 452 HB2 GLU 54 2HB GLU 54 -7.623 -7.318 -12.798 453 HB3 GLU 54 1HB GLU 54 -9.025 -8.334 -13.095 454 HG2 GLU 54 2HG GLU 54 -8.519 -8.175 -15.535 455 HG3 GLU 54 1HG GLU 54 -7.015 -7.359 -15.101 456 H GLU 55 HN GLU 55 -8.150 -5.344 -11.658 457 HA GLU 55 HA GLU 55 -10.669 -4.795 -10.298 458 HB2 GLU 55 2HB GLU 55 -8.339 -6.274 -9.064 459 HB3 GLU 55 1HB GLU 55 -9.682 -5.607 -8.148 460 HG2 GLU 55 2HG GLU 55 -11.199 -7.056 -9.528 461 HG3 GLU 55 1HG GLU 55 -9.752 -7.833 -10.161 462 H ASP 56 HN ASP 56 -10.586 -3.090 -8.843 463 HA ASP 56 HA ASP 56 -8.527 -1.167 -9.460 464 HB2 ASP 56 2HB ASP 56 -11.002 -0.994 -7.743 465 HB3 ASP 56 1HB ASP 56 -9.875 0.341 -7.951 466 H PHE 57 HN PHE 57 -7.450 0.080 -7.779 467 HA PHE 57 HA PHE 57 -5.977 -1.579 -6.054 468 HB2 PHE 57 2HB PHE 57 -5.142 0.547 -7.008 469 HB3 PHE 57 1HB PHE 57 -6.268 1.429 -5.988 470 HD1 PHE 57 2HD PHE 57 -3.159 -0.479 -6.090 471 HD2 PHE 57 1HD PHE 57 -5.866 1.662 -3.607 472 HE1 PHE 57 2HE PHE 57 -1.463 -0.392 -4.324 473 HE2 PHE 57 1HE PHE 57 -4.166 1.753 -1.833 474 HZ PHE 57 HZ PHE 57 -1.964 0.725 -2.190 475 H GLU 58 HN GLU 58 -8.373 0.954 -5.309 476 HA GLU 58 HA GLU 58 -8.519 0.527 -2.560 477 HB2 GLU 58 2HB GLU 58 -10.756 1.416 -4.384 478 HB3 GLU 58 1HB GLU 58 -10.685 1.669 -2.652 479 HG2 GLU 58 2HG GLU 58 -9.969 3.704 -3.327 480 HG3 GLU 58 1HG GLU 58 -8.413 2.875 -3.315 481 H SER 59 HN SER 59 -10.007 -1.160 -5.199 482 HA SER 59 HA SER 59 -11.906 -2.614 -3.698 483 HB2 SER 59 2HB SER 59 -12.001 -2.354 -6.169 484 HB3 SER 59 1HB SER 59 -10.572 -3.375 -6.310 485 HG SER 59 HG SER 59 -12.337 -4.665 -6.604 486 H LEU 60 HN LEU 60 -8.671 -3.467 -4.934 487 HA LEU 60 HA LEU 60 -8.546 -5.981 -3.660 488 HB2 LEU 60 2HB LEU 60 -6.350 -4.139 -4.595 489 HB3 LEU 60 1HB LEU 60 -6.077 -5.772 -4.025 490 HG LEU 60 HG LEU 60 -7.747 -5.050 -6.435 491 HD11 LEU 60 1HD1 LEU 60 -4.955 -6.161 -6.254 492 HD12 LEU 60 2HD1 LEU 60 -5.404 -4.549 -6.813 493 HD13 LEU 60 3HD1 LEU 60 -5.893 -5.971 -7.734 494 HD21 LEU 60 3HD2 LEU 60 -7.636 -7.458 -6.905 495 HD22 LEU 60 1HD2 LEU 60 -8.465 -7.121 -5.387 496 HD23 LEU 60 2HD2 LEU 60 -6.805 -7.711 -5.371 497 H ALA 61 HN ALA 61 -7.723 -2.748 -2.611 498 HA ALA 61 HA ALA 61 -6.285 -3.416 -0.291 499 HB1 ALA 61 1HB ALA 61 -6.698 -1.131 0.421 500 HB2 ALA 61 2HB ALA 61 -7.956 -0.960 -0.804 501 HB3 ALA 61 3HB ALA 61 -6.275 -1.176 -1.291 502 H SER 62 HN SER 62 -9.719 -3.204 -0.914 503 HA SER 62 HA SER 62 -10.270 -3.591 1.921 504 HB2 SER 62 2HB SER 62 -12.694 -3.363 1.116 505 HB3 SER 62 1HB SER 62 -11.674 -1.932 1.000 506 HG SER 62 HG SER 62 -11.535 -2.178 -1.173 507 H GLN 63 HN GLN 63 -9.367 -5.559 -0.423 508 HA GLN 63 HA GLN 63 -11.237 -7.698 0.346 509 HB2 GLN 63 2HB GLN 63 -9.694 -7.336 -2.217 510 HB3 GLN 63 1HB GLN 63 -10.499 -8.835 -1.786 511 HG2 GLN 63 2HG GLN 63 -12.643 -7.664 -1.730 512 HG3 GLN 63 1HG GLN 63 -11.829 -6.161 -2.159 513 HE21 GLN 63 1HE2 GLN 63 -10.001 -7.534 -4.018 514 HE22 GLN 63 2HE2 GLN 63 -10.941 -7.897 -5.425 515 H PHE 64 HN PHE 64 -7.821 -7.175 -0.586 516 HA PHE 64 HA PHE 64 -7.225 -9.697 0.801 517 HB2 PHE 64 2HB PHE 64 -5.737 -8.329 -1.426 518 HB3 PHE 64 1HB PHE 64 -5.176 -9.776 -0.597 519 HD1 PHE 64 2HD PHE 64 -6.423 -11.889 -0.826 520 HD2 PHE 64 1HD PHE 64 -7.445 -8.427 -3.076 521 HE1 PHE 64 2HE PHE 64 -7.729 -13.285 -2.372 522 HE2 PHE 64 1HE PHE 64 -8.755 -9.815 -4.625 523 HZ PHE 64 HZ PHE 64 -8.897 -12.250 -4.273 524 H SER 65 HN SER 65 -6.867 -6.407 1.282 525 HA SER 65 HA SER 65 -4.228 -6.535 2.418 526 HB2 SER 65 2HB SER 65 -5.204 -4.449 1.403 527 HB3 SER 65 1HB SER 65 -6.267 -4.337 2.802 528 HG SER 65 HG SER 65 -3.498 -4.608 3.224 529 H ASP 66 HN ASP 66 -3.657 -6.791 4.485 530 HA ASP 66 HA ASP 66 -5.743 -7.622 6.351 531 HB2 ASP 66 2HB ASP 66 -3.828 -8.475 7.713 532 HB3 ASP 66 1HB ASP 66 -3.928 -9.191 6.109 533 H SER 67 HN SER 67 -4.700 -4.810 5.533 534 HA SER 67 HA SER 67 -3.845 -3.693 8.045 535 HB2 SER 67 2HB SER 67 -3.002 -2.779 5.947 536 HB3 SER 67 1HB SER 67 -4.637 -2.385 5.428 537 HG SER 67 HG SER 67 -3.374 -1.322 7.747 538 H SER 68 HN SER 68 -5.056 -2.366 9.383 539 HA SER 68 HA SER 68 -7.792 -2.911 9.654 540 HB2 SER 68 2HB SER 68 -7.700 -0.961 11.284 541 HB3 SER 68 1HB SER 68 -6.558 -2.271 11.586 542 HG SER 68 HG SER 68 -6.103 0.348 10.839 543 H SER 69 HN SER 69 -6.073 -0.522 7.847 544 HA SER 69 HA SER 69 -8.224 1.324 7.545 545 HB2 SER 69 2HB SER 69 -5.716 1.027 5.892 546 HB3 SER 69 1HB SER 69 -6.771 2.440 5.962 547 HG SER 69 HG SER 69 -6.206 2.030 8.424 548 H ALA 70 HN ALA 70 -7.777 -1.724 6.298 549 HA ALA 70 HA ALA 70 -8.473 -1.548 3.607 550 HB1 ALA 70 1HB ALA 70 -9.222 -3.857 3.801 551 HB2 ALA 70 2HB ALA 70 -9.249 -3.713 5.559 552 HB3 ALA 70 3HB ALA 70 -7.718 -3.615 4.689 553 H LYS 71 HN LYS 71 -10.463 -1.330 6.471 554 HA LYS 71 HA LYS 71 -12.988 -1.650 5.253 555 HB2 LYS 71 2HB LYS 71 -12.145 -0.199 7.765 556 HB3 LYS 71 1HB LYS 71 -13.819 -0.292 7.252 557 HG2 LYS 71 2HG LYS 71 -13.484 -1.975 8.892 558 HG3 LYS 71 1HG LYS 71 -13.621 -2.790 7.336 559 HD2 LYS 71 2HD LYS 71 -11.190 -3.002 7.227 560 HD3 LYS 71 1HD LYS 71 -11.039 -2.148 8.762 561 HE2 LYS 71 2HE LYS 71 -12.454 -4.779 8.340 562 HE3 LYS 71 1HE LYS 71 -10.846 -4.583 9.030 563 HZ1 LYS 71 3HZ LYS 71 -12.515 -4.871 10.744 564 HZ2 LYS 71 1HZ LYS 71 -13.371 -3.529 10.189 565 HZ3 LYS 71 2HZ LYS 71 -11.832 -3.328 10.858 566 H ALA 72 HN ALA 72 -10.839 1.081 5.544 567 HA ALA 72 HA ALA 72 -12.795 2.904 4.382 568 HB1 ALA 72 1HB ALA 72 -11.397 3.700 6.235 569 HB2 ALA 72 2HB ALA 72 -11.109 4.628 4.764 570 HB3 ALA 72 3HB ALA 72 -9.953 3.397 5.271 571 H ARG 73 HN ARG 73 -11.316 0.536 3.085 572 HA ARG 73 HA ARG 73 -10.659 -0.049 1.013 573 HB2 ARG 73 2HB ARG 73 -11.649 2.718 0.445 574 HB3 ARG 73 1HB ARG 73 -10.818 1.813 -0.804 575 HG2 ARG 73 2HG ARG 73 -13.165 1.518 -1.111 576 HG3 ARG 73 1HG ARG 73 -12.504 -0.002 -0.523 577 HD2 ARG 73 2HD ARG 73 -13.325 0.440 1.698 578 HD3 ARG 73 1HD ARG 73 -13.845 2.058 1.226 579 HE ARG 73 HE ARG 73 -15.126 0.290 -0.469 580 HH11 ARG 73 1HH1 ARG 73 -15.066 0.876 2.998 581 HH12 ARG 73 2HH1 ARG 73 -16.715 0.411 3.228 582 HH21 ARG 73 1HH2 ARG 73 -17.297 -0.321 -0.163 583 HH22 ARG 73 2HH2 ARG 73 -17.998 -0.273 1.416 584 H GLY 74 HN GLY 74 -8.896 1.533 2.995 585 HA2 GLY 74 2HA GLY 74 -6.591 1.718 3.068 586 HA3 GLY 74 1HA GLY 74 -6.536 1.334 1.356 587 H ASP 75 HN ASP 75 -8.724 3.802 1.905 588 HA ASP 75 HA ASP 75 -6.968 5.729 0.681 589 HB2 ASP 75 2HB ASP 75 -9.247 5.722 -0.063 590 HB3 ASP 75 1HB ASP 75 -9.846 5.875 1.585 591 H LEU 76 HN LEU 76 -5.997 7.446 1.593 592 HA LEU 76 HA LEU 76 -6.191 7.685 4.518 593 HB2 LEU 76 2HB LEU 76 -4.115 8.772 2.604 594 HB3 LEU 76 1HB LEU 76 -4.118 9.062 4.328 595 HG LEU 76 HG LEU 76 -3.961 6.488 4.544 596 HD11 LEU 76 1HD1 LEU 76 -3.029 6.851 1.705 597 HD12 LEU 76 2HD1 LEU 76 -4.450 5.946 2.231 598 HD13 LEU 76 3HD1 LEU 76 -2.836 5.392 2.678 599 HD21 LEU 76 3HD2 LEU 76 -1.517 6.595 4.328 600 HD22 LEU 76 1HD2 LEU 76 -2.176 8.001 5.165 601 HD23 LEU 76 2HD2 LEU 76 -1.672 8.133 3.480 602 H GLY 77 HN GLY 77 -7.023 9.226 1.597 603 HA2 GLY 77 2HA GLY 77 -8.349 11.121 1.335 604 HA3 GLY 77 1HA GLY 77 -8.094 11.505 3.034 605 H ALA 78 HN ALA 78 -7.821 13.695 1.905 606 HA ALA 78 HA ALA 78 -5.306 14.094 0.566 607 HB1 ALA 78 1HB ALA 78 -5.891 16.466 0.603 608 HB2 ALA 78 2HB ALA 78 -7.240 16.126 1.688 609 HB3 ALA 78 3HB ALA 78 -7.252 15.494 0.040 610 H PHE 79 HN PHE 79 -3.495 13.877 1.690 611 HA PHE 79 HA PHE 79 -3.359 15.129 4.348 612 HB2 PHE 79 2HB PHE 79 -1.826 13.349 5.065 613 HB3 PHE 79 1HB PHE 79 -3.373 12.679 4.574 614 HD1 PHE 79 2HD PHE 79 -3.554 11.373 2.504 615 HD2 PHE 79 1HD PHE 79 0.195 12.864 3.862 616 HE1 PHE 79 2HE PHE 79 -2.391 9.830 0.984 617 HE2 PHE 79 1HE PHE 79 1.362 11.321 2.344 618 HZ PHE 79 HZ PHE 79 0.070 9.803 0.900 619 H SER 80 HN SER 80 -0.769 15.029 4.900 620 HA SER 80 HA SER 80 0.777 15.925 2.628 621 HB2 SER 80 2HB SER 80 -0.475 17.939 3.591 622 HB3 SER 80 1HB SER 80 0.499 17.730 5.044 623 HG SER 80 HG SER 80 1.333 18.396 2.420 624 H ARG 81 HN ARG 81 2.907 16.974 4.069 625 HA ARG 81 HA ARG 81 4.191 14.604 4.926 626 HB2 ARG 81 2HB ARG 81 6.051 16.156 5.604 627 HB3 ARG 81 1HB ARG 81 5.543 16.272 3.926 628 HG2 ARG 81 2HG ARG 81 4.391 18.310 4.326 629 HG3 ARG 81 1HG ARG 81 4.570 18.135 6.074 630 HD2 ARG 81 2HD ARG 81 6.862 18.436 4.143 631 HD3 ARG 81 1HD ARG 81 6.145 19.767 5.052 632 HE ARG 81 HE ARG 81 6.762 18.039 7.000 633 HH11 ARG 81 1HH1 ARG 81 8.656 19.240 4.306 634 HH12 ARG 81 2HH1 ARG 81 10.159 19.151 5.155 635 HH21 ARG 81 1HH2 ARG 81 8.737 17.914 8.125 636 HH22 ARG 81 2HH2 ARG 81 10.209 18.383 7.344 637 H GLY 82 HN GLY 82 4.511 13.733 6.863 638 HA2 GLY 82 2HA GLY 82 4.891 13.892 9.225 639 HA3 GLY 82 1HA GLY 82 3.850 15.308 9.261 640 H GLN 83 HN GLN 83 2.888 12.536 7.414 641 HA GLN 83 HA GLN 83 0.876 11.936 9.492 642 HB2 GLN 83 2HB GLN 83 0.481 12.055 6.504 643 HB3 GLN 83 1HB GLN 83 -0.711 11.439 7.636 644 HG2 GLN 83 2HG GLN 83 0.371 14.249 7.620 645 HG3 GLN 83 1HG GLN 83 -1.164 13.744 6.920 646 HE21 GLN 83 1HE2 GLN 83 -2.836 13.110 8.289 647 HE22 GLN 83 2HE2 GLN 83 -2.863 13.548 9.958 648 H MET 84 HN MET 84 2.940 10.647 6.938 649 HA MET 84 HA MET 84 2.368 7.948 7.958 650 HB2 MET 84 2HB MET 84 0.972 8.341 5.947 651 HB3 MET 84 1HB MET 84 2.418 8.704 5.023 652 HG2 MET 84 2HG MET 84 1.536 6.447 4.607 653 HG3 MET 84 1HG MET 84 3.183 6.438 5.228 654 HE1 MET 84 3HE MET 84 -0.536 5.378 7.757 655 HE2 MET 84 1HE MET 84 -0.603 5.823 6.053 656 HE3 MET 84 2HE MET 84 -0.156 7.027 7.263 657 H GLN 85 HN GLN 85 3.984 6.323 7.003 658 HA GLN 85 HA GLN 85 6.599 6.981 7.673 659 HB2 GLN 85 2HB GLN 85 5.684 4.824 5.758 660 HB3 GLN 85 1HB GLN 85 7.244 4.888 6.559 661 HG2 GLN 85 2HG GLN 85 4.578 4.578 7.920 662 HG3 GLN 85 1HG GLN 85 5.746 3.293 7.619 663 HE21 GLN 85 1HE2 GLN 85 7.629 3.210 8.843 664 HE22 GLN 85 2HE2 GLN 85 7.816 4.111 10.305 665 H LYS 86 HN LYS 86 8.389 7.586 6.512 666 HA LYS 86 HA LYS 86 8.058 9.432 4.494 667 HB2 LYS 86 2HB LYS 86 10.044 9.303 5.958 668 HB3 LYS 86 1HB LYS 86 10.601 7.902 5.056 669 HG2 LYS 86 2HG LYS 86 10.742 9.275 3.028 670 HG3 LYS 86 1HG LYS 86 10.206 10.676 3.953 671 HD2 LYS 86 2HD LYS 86 12.177 10.476 5.392 672 HD3 LYS 86 1HD LYS 86 12.715 9.079 4.458 673 HE2 LYS 86 2HE LYS 86 12.864 10.483 2.453 674 HE3 LYS 86 1HE LYS 86 12.328 11.876 3.392 675 HZ1 LYS 86 3HZ LYS 86 14.718 11.879 3.153 676 HZ2 LYS 86 1HZ LYS 86 14.824 10.333 3.835 677 HZ3 LYS 86 2HZ LYS 86 14.307 11.636 4.776 678 HA PRO 87 HA PRO 87 9.599 5.980 1.226 679 HB2 PRO 87 2HB PRO 87 8.018 3.782 2.494 680 HB3 PRO 87 1HB PRO 87 9.516 3.693 1.560 681 HG2 PRO 87 2HG PRO 87 9.587 3.462 4.193 682 HG3 PRO 87 1HG PRO 87 10.825 4.404 3.342 683 HD2 PRO 87 2HD PRO 87 8.494 5.346 4.946 684 HD3 PRO 87 1HD PRO 87 10.123 6.034 4.806 685 H PHE 88 HN PHE 88 6.506 6.147 2.877 686 HA PHE 88 HA PHE 88 5.044 5.749 0.374 687 HB2 PHE 88 2HB PHE 88 4.251 4.553 2.387 688 HB3 PHE 88 1HB PHE 88 4.026 6.091 3.209 689 HD1 PHE 88 2HD PHE 88 2.219 7.628 2.480 690 HD2 PHE 88 1HD PHE 88 2.663 3.734 0.837 691 HE1 PHE 88 2HE PHE 88 -0.072 7.748 1.596 692 HE2 PHE 88 1HE PHE 88 0.376 3.847 -0.055 693 HZ PHE 88 HZ PHE 88 -0.996 5.856 0.324 694 H GLU 89 HN GLU 89 5.346 8.073 3.007 695 HA GLU 89 HA GLU 89 3.601 10.022 2.026 696 HB2 GLU 89 2HB GLU 89 4.468 9.802 4.350 697 HB3 GLU 89 1HB GLU 89 6.014 10.414 3.787 698 HG2 GLU 89 2HG GLU 89 4.983 12.518 3.182 699 HG3 GLU 89 1HG GLU 89 3.407 11.903 3.687 700 H ASP 90 HN ASP 90 7.148 9.804 1.786 701 HA ASP 90 HA ASP 90 7.499 12.201 0.340 702 HB2 ASP 90 2HB ASP 90 9.367 11.188 1.496 703 HB3 ASP 90 1HB ASP 90 9.236 9.734 0.514 704 H ALA 91 HN ALA 91 6.991 8.874 -0.671 705 HA ALA 91 HA ALA 91 7.469 9.236 -3.428 706 HB1 ALA 91 1HB ALA 91 6.336 7.113 -3.727 707 HB2 ALA 91 2HB ALA 91 5.681 7.214 -2.094 708 HB3 ALA 91 3HB ALA 91 7.417 7.039 -2.337 709 H SER 92 HN SER 92 4.656 9.742 -1.425 710 HA SER 92 HA SER 92 2.693 9.880 -3.407 711 HB2 SER 92 2HB SER 92 2.865 11.323 -0.756 712 HB3 SER 92 1HB SER 92 1.410 11.204 -1.745 713 HG SER 92 HG SER 92 2.858 9.033 -0.596 714 H PHE 93 HN PHE 93 5.061 12.228 -2.354 715 HA PHE 93 HA PHE 93 3.845 14.350 -3.911 716 HB2 PHE 93 2HB PHE 93 6.479 14.298 -2.423 717 HB3 PHE 93 1HB PHE 93 5.731 15.721 -3.135 718 HD1 PHE 93 1HD PHE 93 3.247 16.161 -2.279 719 HD2 PHE 93 2HD PHE 93 6.209 13.940 -0.182 720 HE1 PHE 93 1HE PHE 93 2.065 16.588 -0.165 721 HE2 PHE 93 2HE PHE 93 5.030 14.360 1.935 722 HZ PHE 93 HZ PHE 93 2.957 15.687 1.947 723 H ALA 94 HN ALA 94 6.110 11.842 -4.351 724 HA ALA 94 HA ALA 94 7.580 13.124 -6.488 725 HB1 ALA 94 1HB ALA 94 8.810 11.044 -6.640 726 HB2 ALA 94 2HB ALA 94 7.650 10.255 -5.572 727 HB3 ALA 94 3HB ALA 94 8.680 11.545 -4.955 728 H LEU 95 HN LEU 95 5.167 10.581 -6.145 729 HA LEU 95 HA LEU 95 5.053 10.080 -8.986 730 HB2 LEU 95 2HB LEU 95 3.193 9.161 -6.796 731 HB3 LEU 95 1HB LEU 95 3.299 8.509 -8.415 732 HG LEU 95 HG LEU 95 5.460 8.321 -6.321 733 HD11 LEU 95 1HD1 LEU 95 3.559 6.236 -7.377 734 HD12 LEU 95 2HD1 LEU 95 3.522 6.960 -5.769 735 HD13 LEU 95 3HD1 LEU 95 4.886 5.953 -6.253 736 HD21 LEU 95 3HD2 LEU 95 6.524 6.770 -7.888 737 HD22 LEU 95 1HD2 LEU 95 6.370 8.385 -8.579 738 HD23 LEU 95 2HD2 LEU 95 5.264 7.105 -9.074 739 H ARG 96 HN ARG 96 3.385 10.679 -10.383 740 HA ARG 96 HA ARG 96 1.895 13.038 -9.631 741 HB2 ARG 96 2HB ARG 96 1.147 13.108 -11.932 742 HB3 ARG 96 1HB ARG 96 2.869 12.748 -11.923 743 HG2 ARG 96 2HG ARG 96 2.477 10.463 -12.411 744 HG3 ARG 96 1HG ARG 96 0.742 10.638 -12.143 745 HD2 ARG 96 2HD ARG 96 0.638 12.140 -14.095 746 HD3 ARG 96 1HD ARG 96 2.362 11.872 -14.361 747 HE ARG 96 HE ARG 96 1.371 9.357 -14.324 748 HH11 ARG 96 1HH1 ARG 96 0.433 12.234 -16.112 749 HH12 ARG 96 2HH1 ARG 96 -0.123 11.347 -17.489 750 HH21 ARG 96 1HH2 ARG 96 0.620 8.195 -16.142 751 HH22 ARG 96 2HH2 ARG 96 -0.040 9.039 -17.498 752 H THR 97 HN THR 97 -0.499 13.028 -10.494 753 HA THR 97 HA THR 97 -1.976 11.292 -8.839 754 HB THR 97 HB THR 97 -2.957 12.980 -11.152 755 HG1 THR 97 1HG THR 97 -2.806 13.652 -8.372 756 HG21 THR 97 3HG2 THR 97 -5.079 13.002 -9.887 757 HG22 THR 97 1HG2 THR 97 -4.377 11.883 -8.720 758 HG23 THR 97 2HG2 THR 97 -4.624 11.374 -10.391 759 H GLY 98 HN GLY 98 -2.284 9.172 -9.219 760 HA2 GLY 98 2HA GLY 98 -3.492 7.528 -10.491 761 HA3 GLY 98 1HA GLY 98 -3.026 8.375 -11.954 762 H GLU 99 HN GLU 99 -0.371 8.157 -9.903 763 HA GLU 99 HA GLU 99 0.728 6.060 -11.579 764 HB2 GLU 99 2HB GLU 99 1.953 7.893 -9.558 765 HB3 GLU 99 1HB GLU 99 2.851 6.555 -10.260 766 HG2 GLU 99 2HG GLU 99 1.661 8.905 -11.677 767 HG3 GLU 99 1HG GLU 99 3.374 8.559 -11.438 768 H MET 100 HN MET 100 1.396 4.121 -10.964 769 HA MET 100 HA MET 100 0.617 3.205 -8.291 770 HB2 MET 100 2HB MET 100 -0.386 2.041 -10.245 771 HB3 MET 100 1HB MET 100 1.227 1.621 -10.795 772 HG2 MET 100 2HG MET 100 0.241 -0.271 -9.710 773 HG3 MET 100 1HG MET 100 1.570 0.334 -8.724 774 HE1 MET 100 3HE MET 100 -2.312 0.017 -9.113 775 HE2 MET 100 1HE MET 100 -2.073 1.762 -9.138 776 HE3 MET 100 2HE MET 100 -2.893 1.007 -7.774 777 H SER 101 HN SER 101 2.163 2.663 -6.896 778 HA SER 101 HA SER 101 4.936 2.781 -7.778 779 HB2 SER 101 2HB SER 101 4.223 4.049 -5.773 780 HB3 SER 101 1HB SER 101 3.780 2.532 -4.994 781 HG SER 101 HG SER 101 5.886 1.960 -4.872 782 H GLY 102 HN GLY 102 6.458 1.133 -7.164 783 HA2 GLY 102 2HA GLY 102 5.376 -1.517 -7.489 784 HA3 GLY 102 1HA GLY 102 7.076 -1.085 -7.371 785 HA PRO 103 HA PRO 103 5.735 -3.193 -3.427 786 HB2 PRO 103 2HB PRO 103 8.317 -4.569 -3.765 787 HB3 PRO 103 1HB PRO 103 6.712 -5.251 -3.487 788 HG2 PRO 103 2HG PRO 103 7.938 -5.471 -5.866 789 HG3 PRO 103 1HG PRO 103 6.182 -5.270 -5.735 790 HD2 PRO 103 2HD PRO 103 8.277 -3.238 -6.403 791 HD3 PRO 103 1HD PRO 103 6.673 -3.484 -7.129 792 H VAL 104 HN VAL 104 6.060 -1.439 -2.114 793 HA VAL 104 HA VAL 104 8.790 -0.579 -1.558 794 HB VAL 104 HB VAL 104 6.160 0.526 -0.535 795 HG11 VAL 104 1HG1 VAL 104 8.958 1.637 -0.324 796 HG12 VAL 104 2HG1 VAL 104 8.003 0.973 1.000 797 HG13 VAL 104 3HG1 VAL 104 7.485 2.456 0.197 798 HG21 VAL 104 3HG2 VAL 104 6.568 2.380 -2.092 799 HG22 VAL 104 1HG2 VAL 104 6.401 0.840 -2.938 800 HG23 VAL 104 2HG2 VAL 104 7.999 1.546 -2.700 801 H PHE 105 HN PHE 105 9.842 -1.713 -0.093 802 HA PHE 105 HA PHE 105 8.464 -3.315 1.841 803 HB2 PHE 105 2HB PHE 105 11.415 -2.811 1.428 804 HB3 PHE 105 1HB PHE 105 10.745 -3.974 2.567 805 HD1 PHE 105 1HD PHE 105 9.443 -5.918 1.701 806 HD2 PHE 105 2HD PHE 105 11.645 -3.329 -0.858 807 HE1 PHE 105 1HE PHE 105 9.378 -7.621 -0.072 808 HE2 PHE 105 2HE PHE 105 11.586 -5.030 -2.632 809 HZ PHE 105 HZ PHE 105 10.451 -7.178 -2.240 810 H THR 106 HN THR 106 7.619 -2.446 3.562 811 HA THR 106 HA THR 106 9.028 -0.244 4.896 812 HB THR 106 HB THR 106 6.155 -1.055 5.385 813 HG1 THR 106 1HG THR 106 7.144 -0.146 3.101 814 HG21 THR 106 3HG2 THR 106 7.187 0.496 6.996 815 HG22 THR 106 1HG2 THR 106 5.922 1.294 6.061 816 HG23 THR 106 2HG2 THR 106 7.618 1.581 5.673 817 H ASP 107 HN ASP 107 8.769 -0.326 7.343 818 HA ASP 107 HA ASP 107 9.899 -2.682 8.338 819 HB2 ASP 107 2HB ASP 107 9.688 -1.679 10.538 820 HB3 ASP 107 1HB ASP 107 10.180 -0.458 9.374 821 H SER 108 HN SER 108 6.543 -1.682 8.183 822 HA SER 108 HA SER 108 5.613 -3.756 9.940 823 HB2 SER 108 2HB SER 108 3.344 -2.994 8.990 824 HB3 SER 108 1HB SER 108 4.272 -1.826 9.933 825 HG SER 108 HG SER 108 4.354 -0.603 8.254 826 H GLY 109 HN GLY 109 5.942 -3.316 6.486 827 HA2 GLY 109 2HA GLY 109 6.043 -5.943 5.743 828 HA3 GLY 109 1HA GLY 109 4.329 -5.541 5.725 829 H ILE 110 HN ILE 110 4.518 -5.986 3.392 830 HA ILE 110 HA ILE 110 6.022 -4.017 1.875 831 HB ILE 110 HB ILE 110 4.200 -6.173 0.780 832 HG12 ILE 110 2HG1 ILE 110 7.186 -6.306 1.277 833 HG13 ILE 110 1HG1 ILE 110 5.969 -7.141 2.232 834 HG21 ILE 110 1HG2 ILE 110 6.440 -4.541 -0.425 835 HG22 ILE 110 2HG2 ILE 110 4.725 -4.455 -0.834 836 HG23 ILE 110 3HG2 ILE 110 5.658 -5.900 -1.228 837 HD11 ILE 110 3HD1 ILE 110 7.039 -8.633 0.640 838 HD12 ILE 110 1HD1 ILE 110 6.528 -7.591 -0.688 839 HD13 ILE 110 2HD1 ILE 110 5.324 -8.443 0.277 840 H HIS 111 HN HIS 111 5.168 -2.274 0.914 841 HA HIS 111 HA HIS 111 2.244 -1.926 1.102 842 HB2 HIS 111 2HB HIS 111 4.430 0.117 1.538 843 HB3 HIS 111 1HB HIS 111 2.733 0.531 1.357 844 HD1 HIS 111 1HD HIS 111 1.902 1.180 3.591 845 HD2 HIS 111 2HD HIS 111 4.452 -2.091 3.804 846 HE1 HIS 111 1HE HIS 111 1.956 0.518 6.011 847 HE2 HIS 111 2HE HIS 111 3.630 -1.340 6.145 848 H ILE 112 HN ILE 112 1.213 -1.184 -0.665 849 HA ILE 112 HA ILE 112 2.859 -0.406 -2.976 850 HB ILE 112 HB ILE 112 -0.045 -1.290 -3.027 851 HG12 ILE 112 2HG1 ILE 112 2.473 -2.856 -3.632 852 HG13 ILE 112 1HG1 ILE 112 1.303 -3.189 -2.361 853 HG21 ILE 112 1HG2 ILE 112 1.954 -0.889 -5.253 854 HG22 ILE 112 2HG2 ILE 112 0.601 0.174 -4.872 855 HG23 ILE 112 3HG2 ILE 112 0.299 -1.465 -5.446 856 HD11 ILE 112 3HD1 ILE 112 0.878 -4.755 -4.072 857 HD12 ILE 112 1HD1 ILE 112 0.963 -3.513 -5.326 858 HD13 ILE 112 2HD1 ILE 112 -0.392 -3.540 -4.208 859 H ILE 113 HN ILE 113 2.444 1.557 -3.966 860 HA ILE 113 HA ILE 113 0.731 3.367 -2.392 861 HB ILE 113 HB ILE 113 3.145 4.181 -4.007 862 HG12 ILE 113 2HG1 ILE 113 2.994 3.701 -1.029 863 HG13 ILE 113 1HG1 ILE 113 3.773 2.618 -2.176 864 HG21 ILE 113 1HG2 ILE 113 1.581 5.609 -1.858 865 HG22 ILE 113 2HG2 ILE 113 1.533 5.956 -3.587 866 HG23 ILE 113 3HG2 ILE 113 3.015 6.234 -2.675 867 HD11 ILE 113 3HD1 ILE 113 5.384 4.019 -1.013 868 HD12 ILE 113 1HD1 ILE 113 4.575 5.461 -1.623 869 HD13 ILE 113 2HD1 ILE 113 5.371 4.357 -2.744 870 H LEU 114 HN LEU 114 -0.877 4.331 -3.419 871 HA LEU 114 HA LEU 114 -0.637 4.832 -6.298 872 HB2 LEU 114 2HB LEU 114 -2.148 2.966 -6.135 873 HB3 LEU 114 1HB LEU 114 -3.049 3.743 -4.846 874 HG LEU 114 HG LEU 114 -3.722 5.521 -6.485 875 HD11 LEU 114 1HD1 LEU 114 -2.527 3.626 -8.491 876 HD12 LEU 114 2HD1 LEU 114 -1.954 5.249 -8.108 877 HD13 LEU 114 3HD1 LEU 114 -3.530 5.025 -8.869 878 HD21 LEU 114 3HD2 LEU 114 -5.420 4.161 -7.586 879 HD22 LEU 114 1HD2 LEU 114 -5.230 3.712 -5.892 880 HD23 LEU 114 2HD2 LEU 114 -4.531 2.699 -7.156 881 H ARG 115 HN ARG 115 -0.734 6.943 -6.627 882 HA ARG 115 HA ARG 115 -1.858 8.652 -4.584 883 HB2 ARG 115 2HB ARG 115 0.228 9.332 -5.682 884 HB3 ARG 115 1HB ARG 115 -0.592 9.369 -7.236 885 HG2 ARG 115 2HG ARG 115 -1.991 11.198 -6.504 886 HG3 ARG 115 1HG ARG 115 -1.293 11.119 -4.886 887 HD2 ARG 115 2HD ARG 115 0.868 11.760 -5.740 888 HD3 ARG 115 1HD ARG 115 0.269 11.703 -7.397 889 HE ARG 115 HE ARG 115 -1.368 13.494 -6.145 890 HH11 ARG 115 1HH1 ARG 115 2.104 13.226 -6.630 891 HH12 ARG 115 2HH1 ARG 115 2.378 14.934 -6.593 892 HH21 ARG 115 1HH2 ARG 115 -1.002 15.763 -6.087 893 HH22 ARG 115 2HH2 ARG 115 0.599 16.382 -6.284 894 H THR 116 HN THR 116 -3.959 8.828 -4.506 895 HA THR 116 HA THR 116 -5.705 8.390 -6.688 896 HB THR 116 HB THR 116 -6.451 9.841 -4.157 897 HG1 THR 116 1HG THR 116 -6.612 7.064 -4.141 898 HG21 THR 116 3HG2 THR 116 -8.549 8.597 -4.444 899 HG22 THR 116 1HG2 THR 116 -7.887 7.799 -5.872 900 HG23 THR 116 2HG2 THR 116 -8.177 9.539 -5.888 901 H GLU 117 HN GLU 117 -4.789 11.297 -4.844 902 HA GLU 117 HA GLU 117 -5.401 12.945 -7.197 903 HB2 GLU 117 2HB GLU 117 -6.158 13.669 -4.353 904 HB3 GLU 117 1HB GLU 117 -6.373 14.680 -5.765 905 HG2 GLU 117 2HG GLU 117 -7.747 12.044 -5.295 906 HG3 GLU 117 1HG GLU 117 -8.455 13.633 -5.018 Start of MODEL 10 1 H1 GLY 1 1HT GLY 1 6.677 29.126 -8.085 2 H2 GLY 1 2HT GLY 1 8.176 28.890 -8.829 3 H3 GLY 1 3HT GLY 1 8.100 29.262 -7.181 4 HA2 GLY 1 1HA GLY 1 8.560 26.926 -7.498 5 HA3 GLY 1 2HA GLY 1 6.998 27.171 -6.729 6 H SER 2 HN SER 2 8.607 26.473 -9.773 7 HA SER 2 HA SER 2 6.297 26.021 -11.319 8 HB2 SER 2 2HB SER 2 7.891 24.779 -12.819 9 HB3 SER 2 1HB SER 2 8.412 26.410 -12.402 10 HG SER 2 HG SER 2 10.118 25.588 -11.495 11 H HIS 3 HN HIS 3 8.449 23.817 -9.605 12 HA HIS 3 HA HIS 3 6.367 21.766 -9.805 13 HB2 HIS 3 2HB HIS 3 8.214 20.084 -9.556 14 HB3 HIS 3 1HB HIS 3 8.288 21.018 -11.040 15 HD1 HIS 3 1HD HIS 3 10.144 23.001 -11.044 16 HD2 HIS 3 2HD HIS 3 10.497 20.128 -8.052 17 HE1 HIS 3 1HE HIS 3 12.485 23.218 -10.168 18 HE2 HIS 3 2HE HIS 3 12.717 21.386 -8.459 19 H MET 4 HN MET 4 5.263 22.038 -7.980 20 HA MET 4 HA MET 4 6.756 21.709 -5.478 21 HB2 MET 4 2HB MET 4 6.117 24.063 -5.660 22 HB3 MET 4 1HB MET 4 4.441 23.602 -5.922 23 HG2 MET 4 2HG MET 4 4.394 22.593 -3.675 24 HG3 MET 4 1HG MET 4 6.047 23.140 -3.417 25 HE1 MET 4 3HE MET 4 6.757 25.675 -3.185 26 HE2 MET 4 1HE MET 4 5.646 27.028 -3.398 27 HE3 MET 4 2HE MET 4 6.064 26.009 -4.773 28 H GLU 5 HN GLU 5 6.201 19.871 -4.649 29 HA GLU 5 HA GLU 5 3.924 18.384 -5.326 30 HB2 GLU 5 2HB GLU 5 5.502 18.089 -2.767 31 HB3 GLU 5 1HB GLU 5 4.612 16.844 -3.626 32 HG2 GLU 5 2HG GLU 5 6.768 16.316 -4.196 33 HG3 GLU 5 1HG GLU 5 6.316 17.355 -5.543 34 HA PRO 6 HA PRO 6 0.730 20.246 -2.861 35 HB2 PRO 6 2HB PRO 6 -0.796 17.999 -2.413 36 HB3 PRO 6 1HB PRO 6 -0.834 18.938 -3.909 37 HG2 PRO 6 2HG PRO 6 0.645 16.410 -3.297 38 HG3 PRO 6 1HG PRO 6 -0.237 16.865 -4.766 39 HD2 PRO 6 2HD PRO 6 2.437 16.984 -4.639 40 HD3 PRO 6 1HD PRO 6 1.496 18.190 -5.542 41 H ALA 7 HN ALA 7 0.606 20.717 -0.746 42 HA ALA 7 HA ALA 7 2.213 19.356 1.155 43 HB1 ALA 7 1HB ALA 7 1.298 20.914 2.782 44 HB2 ALA 7 2HB ALA 7 0.041 21.389 1.643 45 HB3 ALA 7 3HB ALA 7 1.729 21.764 1.296 46 H ARG 8 HN ARG 8 -1.295 19.571 0.702 47 HA ARG 8 HA ARG 8 -1.577 17.214 2.438 48 HB2 ARG 8 2HB ARG 8 -3.659 19.263 1.648 49 HB3 ARG 8 1HB ARG 8 -3.945 17.866 2.674 50 HG2 ARG 8 2HG ARG 8 -2.372 18.775 4.323 51 HG3 ARG 8 1HG ARG 8 -2.141 20.192 3.295 52 HD2 ARG 8 2HD ARG 8 -4.541 20.684 3.467 53 HD3 ARG 8 1HD ARG 8 -4.738 19.292 4.529 54 HE ARG 8 HE ARG 8 -2.797 21.253 5.389 55 HH11 ARG 8 1HH1 ARG 8 -6.115 20.142 5.589 56 HH12 ARG 8 2HH1 ARG 8 -6.438 20.953 7.080 57 HH21 ARG 8 1HH2 ARG 8 -3.211 22.341 7.360 58 HH22 ARG 8 2HH2 ARG 8 -4.771 22.223 8.093 59 H VAL 9 HN VAL 9 -1.283 15.587 1.018 60 HA VAL 9 HA VAL 9 -2.923 15.624 -1.419 61 HB VAL 9 HB VAL 9 -0.486 15.514 -1.810 62 HG11 VAL 9 1HG1 VAL 9 -0.620 12.889 -0.341 63 HG12 VAL 9 2HG1 VAL 9 0.215 14.350 0.189 64 HG13 VAL 9 3HG1 VAL 9 0.772 13.486 -1.245 65 HG21 VAL 9 3HG2 VAL 9 -0.487 13.591 -3.336 66 HG22 VAL 9 1HG2 VAL 9 -1.977 14.528 -3.451 67 HG23 VAL 9 2HG2 VAL 9 -1.962 12.998 -2.572 68 H ARG 10 HN ARG 10 -4.154 13.841 -1.957 69 HA ARG 10 HA ARG 10 -4.593 11.927 0.224 70 HB2 ARG 10 2HB ARG 10 -6.556 13.280 -0.223 71 HB3 ARG 10 1HB ARG 10 -6.465 12.891 -1.935 72 HG2 ARG 10 2HG ARG 10 -6.941 10.554 -1.443 73 HG3 ARG 10 1HG ARG 10 -7.011 10.929 0.279 74 HD2 ARG 10 2HD ARG 10 -8.892 12.428 -0.122 75 HD3 ARG 10 1HD ARG 10 -8.812 12.078 -1.848 76 HE ARG 10 HE ARG 10 -9.072 9.673 -0.384 77 HH11 ARG 10 1HH1 ARG 10 -10.945 12.505 -1.308 78 HH12 ARG 10 2HH1 ARG 10 -12.454 11.672 -1.307 79 HH21 ARG 10 1HH2 ARG 10 -11.076 8.569 -0.384 80 HH22 ARG 10 2HH2 ARG 10 -12.533 9.410 -0.781 81 H CYS 11 HN CYS 11 -3.923 9.949 -0.133 82 HA CYS 11 HA CYS 11 -3.931 8.912 -2.872 83 HB2 CYS 11 2HB CYS 11 -1.673 8.535 -0.892 84 HB3 CYS 11 1HB CYS 11 -1.751 7.878 -2.521 85 HG CYS 11 HG CYS 11 -0.449 10.675 -1.552 86 H SER 12 HN SER 12 -4.098 6.637 -3.009 87 HA SER 12 HA SER 12 -5.253 5.395 -0.628 88 HB2 SER 12 2HB SER 12 -5.233 4.451 -3.512 89 HB3 SER 12 1HB SER 12 -6.129 3.713 -2.182 90 HG SER 12 HG SER 12 -6.581 6.414 -2.542 91 H HIS 13 HN HIS 13 -4.453 3.315 0.063 92 HA HIS 13 HA HIS 13 -1.921 2.491 -1.079 93 HB2 HIS 13 2HB HIS 13 -0.645 2.670 0.982 94 HB3 HIS 13 1HB HIS 13 -1.245 4.244 0.488 95 HD1 HIS 13 1HD HIS 13 -0.357 3.446 3.430 96 HD2 HIS 13 2HD HIS 13 -4.274 3.683 2.055 97 HE1 HIS 13 1HE HIS 13 -1.762 3.787 5.465 98 HE2 HIS 13 2HE HIS 13 -4.130 3.666 4.641 99 H LEU 14 HN LEU 14 -1.493 0.431 -0.874 100 HA LEU 14 HA LEU 14 -3.312 -1.208 0.753 101 HB2 LEU 14 2HB LEU 14 -3.269 -1.570 -1.734 102 HB3 LEU 14 1HB LEU 14 -1.585 -2.020 -1.604 103 HG LEU 14 HG LEU 14 -3.677 -3.569 -0.095 104 HD11 LEU 14 1HD1 LEU 14 -2.880 -3.978 -2.975 105 HD12 LEU 14 2HD1 LEU 14 -4.466 -3.469 -2.395 106 HD13 LEU 14 3HD1 LEU 14 -3.861 -5.081 -2.012 107 HD21 LEU 14 3HD2 LEU 14 -2.067 -5.393 -0.385 108 HD22 LEU 14 1HD2 LEU 14 -1.316 -4.006 0.403 109 HD23 LEU 14 2HD2 LEU 14 -1.010 -4.323 -1.305 110 H LEU 15 HN LEU 15 -2.472 -2.622 2.234 111 HA LEU 15 HA LEU 15 0.455 -2.786 2.472 112 HB2 LEU 15 2HB LEU 15 -0.346 -1.119 4.092 113 HB3 LEU 15 1HB LEU 15 -1.491 -2.271 4.734 114 HG LEU 15 HG LEU 15 0.627 -1.805 6.103 115 HD11 LEU 15 1HD1 LEU 15 -0.036 -4.657 5.434 116 HD12 LEU 15 2HD1 LEU 15 -0.843 -3.645 6.632 117 HD13 LEU 15 3HD1 LEU 15 0.843 -4.106 6.859 118 HD21 LEU 15 3HD2 LEU 15 2.608 -3.104 5.521 119 HD22 LEU 15 1HD2 LEU 15 2.238 -1.904 4.283 120 HD23 LEU 15 2HD2 LEU 15 1.841 -3.601 4.013 121 H VAL 16 HN VAL 16 1.131 -4.809 2.590 122 HA VAL 16 HA VAL 16 -0.737 -6.823 3.618 123 HB VAL 16 HB VAL 16 -0.427 -7.073 1.174 124 HG11 VAL 16 1HG1 VAL 16 2.471 -7.569 1.826 125 HG12 VAL 16 2HG1 VAL 16 1.825 -6.162 0.987 126 HG13 VAL 16 3HG1 VAL 16 1.715 -7.758 0.243 127 HG21 VAL 16 3HG2 VAL 16 0.176 -9.457 1.171 128 HG22 VAL 16 1HG2 VAL 16 -0.904 -9.048 2.505 129 HG23 VAL 16 2HG2 VAL 16 0.819 -9.286 2.805 130 H LYS 17 HN LYS 17 -0.048 -7.939 5.296 131 HA LYS 17 HA LYS 17 2.705 -7.573 6.167 132 HB2 LYS 17 2HB LYS 17 0.259 -8.653 7.546 133 HB3 LYS 17 1HB LYS 17 1.865 -8.806 8.242 134 HG2 LYS 17 2HG LYS 17 2.075 -6.324 8.125 135 HG3 LYS 17 1HG LYS 17 0.384 -6.261 7.619 136 HD2 LYS 17 2HD LYS 17 -0.318 -7.287 9.687 137 HD3 LYS 17 1HD LYS 17 1.359 -7.527 10.178 138 HE2 LYS 17 2HE LYS 17 0.478 -5.619 11.344 139 HE3 LYS 17 1HE LYS 17 1.665 -5.066 10.164 140 HZ1 LYS 17 3HZ LYS 17 -0.281 -3.664 10.146 141 HZ2 LYS 17 1HZ LYS 17 -1.287 -4.986 9.836 142 HZ3 LYS 17 2HZ LYS 17 -0.169 -4.487 8.677 143 H HIS 18 HN HIS 18 3.650 -9.577 7.332 144 HA HIS 18 HA HIS 18 3.108 -12.067 5.998 145 HB2 HIS 18 2HB HIS 18 5.729 -12.115 5.449 146 HB3 HIS 18 1HB HIS 18 4.544 -11.536 4.288 147 HD1 HIS 18 1HD HIS 18 7.204 -10.248 6.677 148 HD2 HIS 18 2HD HIS 18 4.795 -8.872 3.577 149 HE1 HIS 18 1HE HIS 18 8.073 -7.978 6.106 150 HE2 HIS 18 2HE HIS 18 6.807 -7.321 4.046 151 H SER 19 HN SER 19 4.504 -13.816 6.864 152 HA SER 19 HA SER 19 4.495 -13.844 9.632 153 HB2 SER 19 2HB SER 19 4.591 -15.850 8.119 154 HB3 SER 19 1HB SER 19 6.302 -15.512 7.862 155 HG SER 19 HG SER 19 6.700 -16.459 9.678 156 H GLN 20 HN GLN 20 7.141 -13.119 7.418 157 HA GLN 20 HA GLN 20 8.978 -12.559 9.569 158 HB2 GLN 20 2HB GLN 20 9.265 -12.008 6.611 159 HB3 GLN 20 1HB GLN 20 10.550 -11.965 7.805 160 HG2 GLN 20 2HG GLN 20 10.267 -14.368 8.180 161 HG3 GLN 20 1HG GLN 20 9.002 -14.398 6.952 162 HE21 GLN 20 1HE2 GLN 20 12.390 -14.109 7.564 163 HE22 GLN 20 2HE2 GLN 20 12.919 -14.297 5.930 164 H SER 21 HN SER 21 7.103 -10.986 10.284 165 HA SER 21 HA SER 21 7.966 -8.314 9.441 166 HB2 SER 21 2HB SER 21 5.774 -8.838 8.368 167 HB3 SER 21 1HB SER 21 5.087 -9.112 9.967 168 HG SER 21 HG SER 21 6.023 -6.698 8.827 169 H ARG 22 HN ARG 22 7.340 -6.659 11.108 170 HA ARG 22 HA ARG 22 8.280 -7.438 13.648 171 HB2 ARG 22 2HB ARG 22 6.702 -4.955 12.957 172 HB3 ARG 22 1HB ARG 22 7.720 -5.184 14.370 173 HG2 ARG 22 2HG ARG 22 9.678 -5.388 12.876 174 HG3 ARG 22 1HG ARG 22 8.625 -5.034 11.505 175 HD2 ARG 22 2HD ARG 22 9.205 -3.242 13.859 176 HD3 ARG 22 1HD ARG 22 9.750 -3.012 12.199 177 HE ARG 22 HE ARG 22 6.947 -3.148 12.210 178 HH11 ARG 22 1HH1 ARG 22 9.518 -1.011 13.291 179 HH12 ARG 22 2HH1 ARG 22 8.551 0.420 13.192 180 HH21 ARG 22 1HH2 ARG 22 5.655 -1.253 12.088 181 HH22 ARG 22 2HH2 ARG 22 6.337 0.278 12.503 182 H ARG 23 HN ARG 23 5.086 -7.065 12.300 183 HA ARG 23 HA ARG 23 3.999 -8.247 14.751 184 HB2 ARG 23 2HB ARG 23 3.432 -5.839 14.651 185 HB3 ARG 23 1HB ARG 23 2.652 -6.108 13.099 186 HG2 ARG 23 2HG ARG 23 1.074 -7.657 14.205 187 HG3 ARG 23 1HG ARG 23 1.820 -7.259 15.755 188 HD2 ARG 23 2HD ARG 23 0.454 -5.333 13.885 189 HD3 ARG 23 1HD ARG 23 -0.200 -5.949 15.402 190 HE ARG 23 HE ARG 23 2.101 -4.825 16.196 191 HH11 ARG 23 1HH1 ARG 23 -0.503 -3.624 14.172 192 HH12 ARG 23 2HH1 ARG 23 -0.262 -1.972 14.627 193 HH21 ARG 23 1HH2 ARG 23 2.426 -2.645 16.784 194 HH22 ARG 23 2HH2 ARG 23 1.423 -1.409 16.102 195 HA PRO 24 HA PRO 24 2.717 -10.874 11.239 196 HB2 PRO 24 2HB PRO 24 3.061 -13.100 13.064 197 HB3 PRO 24 1HB PRO 24 3.964 -12.742 11.591 198 HG2 PRO 24 2HG PRO 24 5.048 -12.600 14.099 199 HG3 PRO 24 1HG PRO 24 5.624 -11.643 12.723 200 HD2 PRO 24 2HD PRO 24 3.824 -10.839 14.975 201 HD3 PRO 24 1HD PRO 24 5.138 -9.927 14.198 202 H SER 25 HN SER 25 0.708 -9.645 11.992 203 HA SER 25 HA SER 25 -1.282 -11.593 12.716 204 HB2 SER 25 2HB SER 25 -0.850 -9.138 14.443 205 HB3 SER 25 1HB SER 25 -2.260 -10.192 14.535 206 HG SER 25 HG SER 25 -0.019 -11.659 14.669 207 H SER 26 HN SER 26 -3.310 -11.044 11.899 208 HA SER 26 HA SER 26 -3.667 -8.364 10.826 209 HB2 SER 26 2HB SER 26 -4.292 -9.169 8.621 210 HB3 SER 26 1HB SER 26 -2.659 -9.718 8.999 211 H TRP 27 HN TRP 27 -5.947 -8.187 9.874 212 HA TRP 27 HA TRP 27 -7.815 -9.353 11.771 213 HB2 TRP 27 2HB TRP 27 -9.442 -7.790 10.801 214 HB3 TRP 27 1HB TRP 27 -7.961 -6.939 11.225 215 HD1 TRP 27 1HD TRP 27 -6.406 -6.094 9.149 216 HE1 TRP 27 1HE TRP 27 -7.008 -5.551 6.701 217 HE3 TRP 27 3HE TRP 27 -10.947 -8.436 8.860 218 HZ2 TRP 27 2HZ TRP 27 -9.105 -6.036 4.904 219 HZ3 TRP 27 3HZ TRP 27 -12.182 -8.345 6.737 220 HH2 TRP 27 2HH TRP 27 -11.279 -7.168 4.801 221 H ARG 28 HN ARG 28 -6.470 -10.222 8.938 222 HA ARG 28 HA ARG 28 -8.862 -11.380 7.725 223 HB2 ARG 28 2HB ARG 28 -6.030 -11.171 6.706 224 HB3 ARG 28 1HB ARG 28 -7.400 -11.793 5.800 225 HG2 ARG 28 2HG ARG 28 -8.404 -9.668 5.663 226 HG3 ARG 28 1HG ARG 28 -7.325 -8.997 6.889 227 HD2 ARG 28 2HD ARG 28 -6.722 -8.303 4.601 228 HD3 ARG 28 1HD ARG 28 -5.439 -9.207 5.404 229 HE ARG 28 HE ARG 28 -7.283 -10.475 3.488 230 HH11 ARG 28 1HH1 ARG 28 -4.015 -9.804 4.616 231 HH12 ARG 28 2HH1 ARG 28 -3.278 -10.861 3.459 232 HH21 ARG 28 1HH2 ARG 28 -6.296 -11.868 1.983 233 HH22 ARG 28 2HH2 ARG 28 -4.571 -12.047 1.965 234 H GLN 29 HN GLN 29 -5.602 -12.278 8.809 235 HA GLN 29 HA GLN 29 -6.441 -15.097 8.738 236 HB2 GLN 29 2HB GLN 29 -4.653 -14.377 7.137 237 HB3 GLN 29 1HB GLN 29 -3.649 -13.972 8.515 238 HG2 GLN 29 2HG GLN 29 -3.532 -16.254 9.185 239 HG3 GLN 29 1HG GLN 29 -4.738 -16.719 7.982 240 HE21 GLN 29 1HE2 GLN 29 -3.368 -18.163 6.990 241 HE22 GLN 29 2HE2 GLN 29 -2.039 -17.660 6.006 242 H GLU 30 HN GLU 30 -5.869 -16.424 10.493 243 HA GLU 30 HA GLU 30 -5.613 -15.001 12.998 244 HB2 GLU 30 2HB GLU 30 -5.779 -17.988 12.581 245 HB3 GLU 30 1HB GLU 30 -6.087 -17.103 14.066 246 HG2 GLU 30 2HG GLU 30 -7.758 -17.155 11.572 247 HG3 GLU 30 1HG GLU 30 -8.186 -17.737 13.180 248 H LYS 31 HN LYS 31 -3.832 -17.487 11.230 249 HA LYS 31 HA LYS 31 -1.441 -16.707 12.751 250 HB2 LYS 31 2HB LYS 31 -0.598 -19.042 12.339 251 HB3 LYS 31 1HB LYS 31 -1.965 -18.940 13.436 252 HG2 LYS 31 2HG LYS 31 -3.466 -19.675 11.688 253 HG3 LYS 31 1HG LYS 31 -2.141 -19.682 10.521 254 HD2 LYS 31 2HD LYS 31 -1.007 -21.418 11.798 255 HD3 LYS 31 1HD LYS 31 -2.294 -21.389 13.005 256 HE2 LYS 31 2HE LYS 31 -2.655 -22.089 10.095 257 HE3 LYS 31 1HE LYS 31 -2.513 -23.254 11.407 258 HZ1 LYS 31 3HZ LYS 31 -4.814 -22.864 10.800 259 HZ2 LYS 31 1HZ LYS 31 -4.660 -21.218 11.143 260 HZ3 LYS 31 2HZ LYS 31 -4.527 -22.359 12.385 261 H ILE 32 HN ILE 32 -0.018 -15.716 11.534 262 HA ILE 32 HA ILE 32 -0.415 -15.572 8.703 263 HB ILE 32 HB ILE 32 1.866 -14.405 10.303 264 HG12 ILE 32 2HG1 ILE 32 -0.281 -13.666 11.233 265 HG13 ILE 32 1HG1 ILE 32 0.533 -12.342 10.406 266 HG21 ILE 32 1HG2 ILE 32 0.693 -13.645 7.632 267 HG22 ILE 32 2HG2 ILE 32 2.238 -14.454 7.895 268 HG23 ILE 32 3HG2 ILE 32 1.999 -12.800 8.461 269 HD11 ILE 32 3HD1 ILE 32 -1.844 -12.330 9.947 270 HD12 ILE 32 1HD1 ILE 32 -1.750 -13.976 9.324 271 HD13 ILE 32 2HD1 ILE 32 -0.935 -12.664 8.473 272 H THR 33 HN THR 33 0.013 -17.560 7.814 273 HA THR 33 HA THR 33 2.583 -18.835 8.248 274 HB THR 33 HB THR 33 0.543 -19.638 6.173 275 HG1 THR 33 1HG THR 33 0.539 -20.159 8.981 276 HG21 THR 33 3HG2 THR 33 1.420 -21.883 6.638 277 HG22 THR 33 1HG2 THR 33 2.522 -21.206 7.837 278 HG23 THR 33 2HG2 THR 33 2.707 -20.788 6.134 279 H ARG 34 HN ARG 34 1.037 -16.746 5.993 280 HA ARG 34 HA ARG 34 2.590 -17.114 3.701 281 HB2 ARG 34 2HB ARG 34 1.940 -14.627 3.296 282 HB3 ARG 34 1HB ARG 34 0.685 -15.856 3.332 283 HG2 ARG 34 2HG ARG 34 0.124 -15.259 5.614 284 HG3 ARG 34 1HG ARG 34 1.435 -14.078 5.642 285 HD2 ARG 34 2HD ARG 34 0.345 -12.666 4.144 286 HD3 ARG 34 1HD ARG 34 -0.739 -13.940 3.591 287 HE ARG 34 HE ARG 34 -1.641 -13.816 5.979 288 HH11 ARG 34 1HH1 ARG 34 -0.358 -11.033 4.262 289 HH12 ARG 34 2HH1 ARG 34 -1.412 -9.896 5.037 290 HH21 ARG 34 1HH2 ARG 34 -3.055 -12.299 7.005 291 HH22 ARG 34 2HH2 ARG 34 -2.958 -10.621 6.580 292 H THR 35 HN THR 35 4.648 -16.834 3.371 293 HA THR 35 HA THR 35 6.268 -15.331 5.223 294 HB THR 35 HB THR 35 7.118 -17.452 4.289 295 HG1 THR 35 1HG THR 35 9.007 -16.570 4.553 296 HG21 THR 35 3HG2 THR 35 7.873 -17.547 1.939 297 HG22 THR 35 1HG2 THR 35 7.124 -15.975 1.654 298 HG23 THR 35 2HG2 THR 35 6.123 -17.367 2.073 299 H LYS 36 HN LYS 36 8.163 -14.071 3.890 300 HA LYS 36 HA LYS 36 6.884 -11.682 3.044 301 HB2 LYS 36 2HB LYS 36 9.044 -11.699 4.238 302 HB3 LYS 36 1HB LYS 36 9.799 -12.477 2.859 303 HG2 LYS 36 2HG LYS 36 8.426 -9.914 2.323 304 HG3 LYS 36 1HG LYS 36 9.886 -9.836 3.309 305 HD2 LYS 36 2HD LYS 36 9.744 -11.233 0.638 306 HD3 LYS 36 1HD LYS 36 10.249 -9.553 0.835 307 HE2 LYS 36 2HE LYS 36 12.073 -10.271 2.300 308 HE3 LYS 36 1HE LYS 36 11.567 -11.948 2.119 309 HZ1 LYS 36 3HZ LYS 36 13.441 -11.297 0.672 310 HZ2 LYS 36 1HZ LYS 36 12.415 -10.222 -0.138 311 HZ3 LYS 36 2HZ LYS 36 12.107 -11.891 -0.183 312 H GLU 37 HN GLU 37 8.398 -14.363 1.359 313 HA GLU 37 HA GLU 37 8.485 -13.205 -1.207 314 HB2 GLU 37 2HB GLU 37 8.235 -16.102 -0.398 315 HB3 GLU 37 1HB GLU 37 8.563 -15.548 -2.032 316 HG2 GLU 37 2HG GLU 37 10.309 -15.173 0.383 317 HG3 GLU 37 1HG GLU 37 10.606 -16.238 -0.991 318 H GLU 38 HN GLU 38 5.994 -15.112 0.431 319 HA GLU 38 HA GLU 38 4.222 -15.303 -1.740 320 HB2 GLU 38 2HB GLU 38 3.704 -15.352 1.233 321 HB3 GLU 38 1HB GLU 38 2.485 -15.717 0.019 322 HG2 GLU 38 2HG GLU 38 3.735 -17.613 -0.746 323 HG3 GLU 38 1HG GLU 38 5.078 -17.206 0.318 324 H ALA 39 HN ALA 39 4.555 -12.906 0.826 325 HA ALA 39 HA ALA 39 2.324 -11.337 0.133 326 HB1 ALA 39 1HB ALA 39 3.404 -9.558 1.423 327 HB2 ALA 39 2HB ALA 39 4.912 -10.473 1.429 328 HB3 ALA 39 3HB ALA 39 3.495 -11.103 2.271 329 H LEU 40 HN LEU 40 5.683 -11.312 -0.928 330 HA LEU 40 HA LEU 40 5.523 -9.008 -2.550 331 HB2 LEU 40 2HB LEU 40 7.626 -10.090 -1.697 332 HB3 LEU 40 1HB LEU 40 7.379 -11.383 -2.847 333 HG LEU 40 HG LEU 40 9.096 -9.574 -3.423 334 HD11 LEU 40 1HD1 LEU 40 6.932 -10.201 -5.415 335 HD12 LEU 40 2HD1 LEU 40 8.330 -11.208 -5.041 336 HD13 LEU 40 3HD1 LEU 40 8.555 -9.631 -5.798 337 HD21 LEU 40 3HD2 LEU 40 8.252 -7.558 -4.479 338 HD22 LEU 40 1HD2 LEU 40 7.714 -7.645 -2.802 339 HD23 LEU 40 2HD2 LEU 40 6.595 -8.034 -4.110 340 H GLU 41 HN GLU 41 5.083 -12.469 -3.225 341 HA GLU 41 HA GLU 41 4.639 -12.298 -5.985 342 HB2 GLU 41 2HB GLU 41 3.568 -14.226 -3.931 343 HB3 GLU 41 1HB GLU 41 3.256 -14.398 -5.649 344 HG2 GLU 41 2HG GLU 41 5.717 -14.496 -6.015 345 HG3 GLU 41 1HG GLU 41 5.920 -14.512 -4.262 346 H LEU 42 HN LEU 42 2.410 -11.992 -3.263 347 HA LEU 42 HA LEU 42 0.046 -11.736 -4.753 348 HB2 LEU 42 2HB LEU 42 0.747 -10.561 -2.062 349 HB3 LEU 42 1HB LEU 42 -0.869 -10.615 -2.736 350 HG LEU 42 HG LEU 42 0.809 -13.006 -1.974 351 HD11 LEU 42 1HD1 LEU 42 -0.861 -13.321 -0.221 352 HD12 LEU 42 2HD1 LEU 42 -1.658 -11.826 -0.707 353 HD13 LEU 42 3HD1 LEU 42 -0.023 -11.779 -0.047 354 HD21 LEU 42 3HD2 LEU 42 -1.239 -14.297 -2.427 355 HD22 LEU 42 1HD2 LEU 42 -0.599 -13.526 -3.879 356 HD23 LEU 42 2HD2 LEU 42 -2.001 -12.838 -3.060 357 H ILE 43 HN ILE 43 2.312 -9.300 -3.534 358 HA ILE 43 HA ILE 43 0.973 -7.015 -4.386 359 HB ILE 43 HB ILE 43 3.952 -7.504 -4.187 360 HG12 ILE 43 2HG1 ILE 43 2.721 -7.758 -2.077 361 HG13 ILE 43 1HG1 ILE 43 3.766 -6.345 -2.041 362 HG21 ILE 43 1HG2 ILE 43 2.451 -4.916 -4.542 363 HG22 ILE 43 2HG2 ILE 43 3.635 -5.622 -5.642 364 HG23 ILE 43 3HG2 ILE 43 4.142 -5.028 -4.061 365 HD11 ILE 43 3HD1 ILE 43 1.634 -5.861 -1.011 366 HD12 ILE 43 1HD1 ILE 43 0.788 -6.343 -2.480 367 HD13 ILE 43 2HD1 ILE 43 1.827 -4.918 -2.484 368 H ASN 44 HN ASN 44 3.504 -8.838 -6.121 369 HA ASN 44 HA ASN 44 3.388 -7.348 -8.497 370 HB2 ASN 44 2HB ASN 44 4.219 -10.196 -7.959 371 HB3 ASN 44 1HB ASN 44 4.268 -9.508 -9.578 372 HD21 ASN 44 1HD2 ASN 44 6.437 -10.494 -7.946 373 HD22 ASN 44 2HD2 ASN 44 7.531 -9.173 -7.737 374 H GLY 45 HN GLY 45 1.616 -10.235 -7.490 375 HA2 GLY 45 2HA GLY 45 0.247 -10.734 -9.874 376 HA3 GLY 45 1HA GLY 45 -0.325 -11.168 -8.269 377 H TYR 46 HN TYR 46 -0.772 -8.799 -7.066 378 HA TYR 46 HA TYR 46 -3.239 -7.999 -8.137 379 HB2 TYR 46 2HB TYR 46 -1.495 -6.575 -6.115 380 HB3 TYR 46 1HB TYR 46 -3.168 -6.159 -6.466 381 HD1 TYR 46 2HD TYR 46 -4.218 -9.014 -6.711 382 HD2 TYR 46 1HD TYR 46 -1.711 -7.142 -3.826 383 HE1 TYR 46 2HE TYR 46 -4.958 -10.633 -5.028 384 HE2 TYR 46 1HE TYR 46 -2.449 -8.764 -2.130 385 HH TYR 46 HH TYR 46 -4.259 -10.262 -1.685 386 H ILE 47 HN ILE 47 -0.117 -6.283 -8.089 387 HA ILE 47 HA ILE 47 -0.926 -4.002 -9.459 388 HB ILE 47 HB ILE 47 1.774 -5.372 -9.460 389 HG12 ILE 47 2HG1 ILE 47 0.728 -2.975 -7.936 390 HG13 ILE 47 1HG1 ILE 47 0.986 -4.584 -7.269 391 HG21 ILE 47 1HG2 ILE 47 2.686 -3.196 -10.223 392 HG22 ILE 47 2HG2 ILE 47 1.036 -2.637 -10.497 393 HG23 ILE 47 3HG2 ILE 47 1.675 -3.992 -11.427 394 HD11 ILE 47 3HD1 ILE 47 2.781 -3.069 -6.656 395 HD12 ILE 47 1HD1 ILE 47 3.116 -2.755 -8.359 396 HD13 ILE 47 2HD1 ILE 47 3.381 -4.366 -7.691 397 H GLN 48 HN GLN 48 0.242 -7.087 -10.766 398 HA GLN 48 HA GLN 48 0.209 -6.303 -13.472 399 HB2 GLN 48 2HB GLN 48 -0.037 -9.029 -12.201 400 HB3 GLN 48 1HB GLN 48 0.065 -8.782 -13.937 401 HG2 GLN 48 2HG GLN 48 2.152 -8.089 -11.883 402 HG3 GLN 48 1HG GLN 48 2.226 -9.375 -13.086 403 HE21 GLN 48 1HE2 GLN 48 2.577 -8.829 -15.256 404 HE22 GLN 48 2HE2 GLN 48 3.209 -7.284 -15.715 405 H LYS 49 HN LYS 49 -2.272 -7.869 -11.462 406 HA LYS 49 HA LYS 49 -4.126 -8.147 -13.596 407 HB2 LYS 49 2HB LYS 49 -4.508 -8.232 -10.605 408 HB3 LYS 49 1HB LYS 49 -5.791 -8.571 -11.759 409 HG2 LYS 49 2HG LYS 49 -4.464 -10.415 -12.678 410 HG3 LYS 49 1HG LYS 49 -3.203 -10.085 -11.490 411 HD2 LYS 49 2HD LYS 49 -4.755 -10.593 -9.683 412 HD3 LYS 49 1HD LYS 49 -6.049 -10.866 -10.854 413 HE2 LYS 49 2HE LYS 49 -4.744 -12.705 -11.838 414 HE3 LYS 49 1HE LYS 49 -3.487 -12.445 -10.633 415 HZ1 LYS 49 3HZ LYS 49 -4.946 -14.261 -10.022 416 HZ2 LYS 49 1HZ LYS 49 -6.291 -13.239 -10.058 417 HZ3 LYS 49 2HZ LYS 49 -5.073 -13.007 -8.904 418 H ILE 50 HN ILE 50 -3.591 -5.632 -11.190 419 HA ILE 50 HA ILE 50 -5.924 -4.140 -11.654 420 HB ILE 50 HB ILE 50 -3.179 -3.224 -10.755 421 HG12 ILE 50 2HG1 ILE 50 -5.736 -3.677 -9.198 422 HG13 ILE 50 1HG1 ILE 50 -4.382 -4.799 -9.257 423 HG21 ILE 50 1HG2 ILE 50 -5.771 -1.676 -10.740 424 HG22 ILE 50 2HG2 ILE 50 -4.361 -1.336 -11.743 425 HG23 ILE 50 3HG2 ILE 50 -4.261 -1.156 -9.992 426 HD11 ILE 50 3HD1 ILE 50 -4.369 -3.495 -7.208 427 HD12 ILE 50 1HD1 ILE 50 -4.310 -2.002 -8.146 428 HD13 ILE 50 2HD1 ILE 50 -2.954 -3.128 -8.196 429 H LYS 51 HN LYS 51 -2.691 -3.843 -13.112 430 HA LYS 51 HA LYS 51 -3.342 -1.720 -14.848 431 HB2 LYS 51 2HB LYS 51 -1.209 -3.831 -15.103 432 HB3 LYS 51 1HB LYS 51 -1.296 -2.380 -16.086 433 HG2 LYS 51 2HG LYS 51 -1.008 -1.003 -14.090 434 HG3 LYS 51 1HG LYS 51 -0.933 -2.458 -13.097 435 HD2 LYS 51 2HD LYS 51 0.981 -1.759 -15.324 436 HD3 LYS 51 1HD LYS 51 1.303 -1.561 -13.600 437 HE2 LYS 51 2HE LYS 51 1.072 -3.965 -13.273 438 HE3 LYS 51 1HE LYS 51 0.696 -4.173 -14.977 439 HZ1 LYS 51 3HZ LYS 51 3.001 -4.699 -14.457 440 HZ2 LYS 51 1HZ LYS 51 3.259 -3.115 -13.928 441 HZ3 LYS 51 2HZ LYS 51 2.888 -3.415 -15.549 442 H SER 52 HN SER 52 -3.603 -5.200 -15.188 443 HA SER 52 HA SER 52 -4.055 -5.261 -17.969 444 HB2 SER 52 2HB SER 52 -4.972 -7.214 -15.851 445 HB3 SER 52 1HB SER 52 -4.915 -7.528 -17.587 446 HG SER 52 HG SER 52 -2.827 -7.300 -15.734 447 H GLY 53 HN GLY 53 -6.163 -4.637 -15.260 448 HA2 GLY 53 2HA GLY 53 -8.184 -3.384 -15.597 449 HA3 GLY 53 1HA GLY 53 -8.340 -4.142 -17.175 450 H GLU 54 HN GLU 54 -7.430 -6.032 -14.431 451 HA GLU 54 HA GLU 54 -9.882 -7.574 -14.670 452 HB2 GLU 54 2HB GLU 54 -7.379 -8.016 -13.036 453 HB3 GLU 54 1HB GLU 54 -8.742 -9.122 -13.090 454 HG2 GLU 54 2HG GLU 54 -7.031 -8.345 -15.439 455 HG3 GLU 54 1HG GLU 54 -6.888 -9.840 -14.515 456 H GLU 55 HN GLU 55 -8.001 -6.708 -11.814 457 HA GLU 55 HA GLU 55 -10.492 -6.000 -10.430 458 HB2 GLU 55 2HB GLU 55 -7.840 -6.992 -9.372 459 HB3 GLU 55 1HB GLU 55 -9.167 -6.452 -8.355 460 HG2 GLU 55 2HG GLU 55 -9.419 -8.709 -10.322 461 HG3 GLU 55 1HG GLU 55 -8.931 -8.936 -8.644 462 H ASP 56 HN ASP 56 -10.541 -4.081 -9.236 463 HA ASP 56 HA ASP 56 -8.612 -2.085 -10.109 464 HB2 ASP 56 2HB ASP 56 -11.045 -1.570 -10.154 465 HB3 ASP 56 1HB ASP 56 -11.098 -1.762 -8.406 466 H PHE 57 HN PHE 57 -7.638 -0.610 -8.519 467 HA PHE 57 HA PHE 57 -6.178 -1.916 -6.568 468 HB2 PHE 57 2HB PHE 57 -5.600 0.290 -7.541 469 HB3 PHE 57 1HB PHE 57 -6.904 1.021 -6.615 470 HD1 PHE 57 2HD PHE 57 -3.625 -0.634 -6.385 471 HD2 PHE 57 1HD PHE 57 -6.635 1.542 -4.310 472 HE1 PHE 57 2HE PHE 57 -2.085 -0.302 -4.503 473 HE2 PHE 57 1HE PHE 57 -5.094 1.877 -2.422 474 HZ PHE 57 HZ PHE 57 -2.816 0.955 -2.519 475 H GLU 58 HN GLU 58 -9.231 -0.133 -6.240 476 HA GLU 58 HA GLU 58 -9.313 -0.341 -3.394 477 HB2 GLU 58 2HB GLU 58 -11.545 0.234 -5.344 478 HB3 GLU 58 1HB GLU 58 -11.644 0.432 -3.601 479 HG2 GLU 58 2HG GLU 58 -9.761 2.080 -3.788 480 HG3 GLU 58 1HG GLU 58 -9.951 1.985 -5.539 481 H SER 59 HN SER 59 -9.875 -2.603 -5.835 482 HA SER 59 HA SER 59 -11.895 -4.110 -4.447 483 HB2 SER 59 2HB SER 59 -10.129 -4.973 -6.748 484 HB3 SER 59 1HB SER 59 -11.636 -5.729 -6.230 485 HG SER 59 HG SER 59 -12.189 -3.199 -6.623 486 H LEU 60 HN LEU 60 -8.419 -4.018 -4.629 487 HA LEU 60 HA LEU 60 -8.207 -6.521 -3.144 488 HB2 LEU 60 2HB LEU 60 -6.063 -4.769 -4.344 489 HB3 LEU 60 1HB LEU 60 -5.739 -6.216 -3.418 490 HG LEU 60 HG LEU 60 -5.500 -6.910 -5.610 491 HD11 LEU 60 1HD1 LEU 60 -8.366 -7.549 -4.962 492 HD12 LEU 60 2HD1 LEU 60 -6.946 -8.424 -4.388 493 HD13 LEU 60 3HD1 LEU 60 -7.338 -8.412 -6.106 494 HD21 LEU 60 3HD2 LEU 60 -7.026 -6.370 -7.437 495 HD22 LEU 60 1HD2 LEU 60 -6.327 -4.922 -6.710 496 HD23 LEU 60 2HD2 LEU 60 -7.988 -5.384 -6.336 497 H ALA 61 HN ALA 61 -7.342 -3.102 -2.821 498 HA ALA 61 HA ALA 61 -5.998 -3.311 -0.366 499 HB1 ALA 61 1HB ALA 61 -6.217 -0.906 -0.218 500 HB2 ALA 61 2HB ALA 61 -7.468 -0.923 -1.461 501 HB3 ALA 61 3HB ALA 61 -5.815 -1.384 -1.868 502 H SER 62 HN SER 62 -9.388 -3.260 -1.045 503 HA SER 62 HA SER 62 -10.092 -2.495 1.662 504 HB2 SER 62 2HB SER 62 -11.894 -3.385 -0.584 505 HB3 SER 62 1HB SER 62 -12.365 -2.544 0.894 506 HG SER 62 HG SER 62 -11.373 -1.551 -1.431 507 H GLN 63 HN GLN 63 -9.095 -5.345 0.311 508 HA GLN 63 HA GLN 63 -10.663 -6.894 2.265 509 HB2 GLN 63 2HB GLN 63 -10.131 -7.717 -0.589 510 HB3 GLN 63 1HB GLN 63 -10.827 -8.760 0.640 511 HG2 GLN 63 2HG GLN 63 -12.737 -7.224 0.835 512 HG3 GLN 63 1HG GLN 63 -12.040 -6.223 -0.437 513 HE21 GLN 63 1HE2 GLN 63 -11.061 -8.545 -1.921 514 HE22 GLN 63 2HE2 GLN 63 -12.444 -9.254 -2.670 515 H PHE 64 HN PHE 64 -7.832 -6.912 0.131 516 HA PHE 64 HA PHE 64 -6.658 -9.042 1.756 517 HB2 PHE 64 2HB PHE 64 -5.838 -7.959 -0.942 518 HB3 PHE 64 1HB PHE 64 -5.063 -9.299 -0.107 519 HD1 PHE 64 1HD PHE 64 -6.212 -11.444 0.129 520 HD2 PHE 64 2HD PHE 64 -7.944 -8.231 -2.052 521 HE1 PHE 64 1HE PHE 64 -7.802 -13.009 -0.906 522 HE2 PHE 64 2HE PHE 64 -9.538 -9.789 -3.090 523 HZ PHE 64 HZ PHE 64 -9.468 -12.182 -2.516 524 H SER 65 HN SER 65 -6.760 -6.119 2.506 525 HA SER 65 HA SER 65 -3.860 -5.741 2.740 526 HB2 SER 65 2HB SER 65 -5.053 -3.902 1.547 527 HB3 SER 65 1HB SER 65 -5.983 -3.605 3.017 528 HG SER 65 HG SER 65 -3.277 -3.736 3.421 529 H ASP 66 HN ASP 66 -2.982 -5.865 4.668 530 HA ASP 66 HA ASP 66 -4.720 -6.372 6.946 531 HB2 ASP 66 2HB ASP 66 -1.704 -6.472 6.930 532 HB3 ASP 66 1HB ASP 66 -2.812 -7.283 8.030 533 H SER 67 HN SER 67 -5.306 -3.980 6.703 534 HA SER 67 HA SER 67 -3.894 -2.549 8.756 535 HB2 SER 67 2HB SER 67 -3.551 -0.515 7.350 536 HB3 SER 67 1HB SER 67 -2.566 -1.878 6.828 537 HG SER 67 HG SER 67 -4.128 -2.272 5.186 538 H SER 68 HN SER 68 -5.035 -0.382 9.152 539 HA SER 68 HA SER 68 -7.810 -0.895 9.456 540 HB2 SER 68 2HB SER 68 -6.398 1.758 9.781 541 HB3 SER 68 1HB SER 68 -7.894 1.234 10.554 542 HG SER 68 HG SER 68 -5.991 1.090 11.896 543 H SER 69 HN SER 69 -5.899 0.642 7.034 544 HA SER 69 HA SER 69 -7.869 2.318 5.901 545 HB2 SER 69 2HB SER 69 -5.435 1.077 4.615 546 HB3 SER 69 1HB SER 69 -6.375 2.418 3.960 547 HG SER 69 HG SER 69 -5.636 2.870 6.533 548 H ALA 70 HN ALA 70 -7.517 -1.074 5.862 549 HA ALA 70 HA ALA 70 -8.588 -1.704 3.339 550 HB1 ALA 70 1HB ALA 70 -9.101 -3.889 4.288 551 HB2 ALA 70 2HB ALA 70 -8.846 -3.255 5.915 552 HB3 ALA 70 3HB ALA 70 -7.495 -3.358 4.785 553 H LYS 71 HN LYS 71 -10.060 -0.687 6.325 554 HA LYS 71 HA LYS 71 -12.755 -1.289 5.448 555 HB2 LYS 71 2HB LYS 71 -11.830 0.343 7.824 556 HB3 LYS 71 1HB LYS 71 -13.448 -0.287 7.558 557 HG2 LYS 71 2HG LYS 71 -10.969 -1.941 8.013 558 HG3 LYS 71 1HG LYS 71 -12.225 -1.606 9.205 559 HD2 LYS 71 2HD LYS 71 -13.866 -2.753 7.776 560 HD3 LYS 71 1HD LYS 71 -12.590 -3.101 6.608 561 HE2 LYS 71 2HE LYS 71 -12.971 -5.048 7.985 562 HE3 LYS 71 1HE LYS 71 -11.385 -4.371 8.350 563 HZ1 LYS 71 3HZ LYS 71 -12.612 -5.015 10.342 564 HZ2 LYS 71 1HZ LYS 71 -13.843 -3.919 9.957 565 HZ3 LYS 71 2HZ LYS 71 -12.290 -3.354 10.326 566 H ALA 72 HN ALA 72 -10.519 1.053 4.801 567 HA ALA 72 HA ALA 72 -12.531 3.149 4.350 568 HB1 ALA 72 1HB ALA 72 -9.535 3.401 4.615 569 HB2 ALA 72 2HB ALA 72 -10.714 3.779 5.870 570 HB3 ALA 72 3HB ALA 72 -10.670 4.729 4.385 571 H ARG 73 HN ARG 73 -11.715 0.751 2.666 572 HA ARG 73 HA ARG 73 -11.647 0.267 0.436 573 HB2 ARG 73 2HB ARG 73 -11.868 3.259 0.075 574 HB3 ARG 73 1HB ARG 73 -11.977 2.082 -1.223 575 HG2 ARG 73 2HG ARG 73 -14.000 1.192 -0.341 576 HG3 ARG 73 1HG ARG 73 -13.839 2.150 1.133 577 HD2 ARG 73 2HD ARG 73 -15.466 3.108 -0.443 578 HD3 ARG 73 1HD ARG 73 -14.116 4.191 -0.117 579 HE ARG 73 HE ARG 73 -13.244 3.060 -2.334 580 HH11 ARG 73 1HH1 ARG 73 -16.465 4.195 -1.574 581 HH12 ARG 73 2HH1 ARG 73 -16.850 4.606 -3.210 582 HH21 ARG 73 1HH2 ARG 73 -13.750 3.577 -4.504 583 HH22 ARG 73 2HH2 ARG 73 -15.308 4.238 -4.885 584 H GLY 74 HN GLY 74 -9.244 1.303 2.107 585 HA2 GLY 74 2HA GLY 74 -6.968 1.052 1.627 586 HA3 GLY 74 1HA GLY 74 -7.345 1.128 -0.092 587 H ASP 75 HN ASP 75 -9.077 3.544 0.932 588 HA ASP 75 HA ASP 75 -7.238 5.540 0.079 589 HB2 ASP 75 2HB ASP 75 -9.517 5.888 -0.477 590 HB3 ASP 75 1HB ASP 75 -10.041 5.632 1.182 591 H LEU 76 HN LEU 76 -5.927 6.773 1.223 592 HA LEU 76 HA LEU 76 -5.780 6.377 4.104 593 HB2 LEU 76 2HB LEU 76 -3.807 6.385 2.421 594 HB3 LEU 76 1HB LEU 76 -3.990 8.121 2.411 595 HG LEU 76 HG LEU 76 -3.343 6.497 4.884 596 HD11 LEU 76 1HD1 LEU 76 -1.538 8.057 3.050 597 HD12 LEU 76 2HD1 LEU 76 -1.546 6.309 3.286 598 HD13 LEU 76 3HD1 LEU 76 -1.065 7.375 4.605 599 HD21 LEU 76 3HD2 LEU 76 -2.701 8.656 5.842 600 HD22 LEU 76 1HD2 LEU 76 -4.401 8.650 5.375 601 HD23 LEU 76 2HD2 LEU 76 -3.213 9.469 4.363 602 H GLY 77 HN GLY 77 -6.543 8.802 1.720 603 HA2 GLY 77 2HA GLY 77 -7.916 10.670 2.118 604 HA3 GLY 77 1HA GLY 77 -7.521 10.564 3.832 605 H ALA 78 HN ALA 78 -7.281 12.989 3.073 606 HA ALA 78 HA ALA 78 -4.771 13.619 1.849 607 HB1 ALA 78 1HB ALA 78 -5.289 15.930 2.455 608 HB2 ALA 78 2HB ALA 78 -6.636 15.372 3.448 609 HB3 ALA 78 3HB ALA 78 -6.676 15.146 1.699 610 H PHE 79 HN PHE 79 -2.893 13.274 2.827 611 HA PHE 79 HA PHE 79 -2.782 13.623 5.749 612 HB2 PHE 79 2HB PHE 79 -0.959 11.969 5.789 613 HB3 PHE 79 1HB PHE 79 -2.442 11.289 5.134 614 HD1 PHE 79 2HD PHE 79 -2.618 10.828 2.705 615 HD2 PHE 79 1HD PHE 79 1.025 12.130 4.480 616 HE1 PHE 79 2HE PHE 79 -1.381 10.070 0.718 617 HE2 PHE 79 1HE PHE 79 2.267 11.372 2.498 618 HZ PHE 79 HZ PHE 79 1.062 10.340 0.613 619 H SER 80 HN SER 80 -0.923 14.532 6.664 620 HA SER 80 HA SER 80 1.246 15.532 5.137 621 HB2 SER 80 2HB SER 80 -0.708 17.095 4.525 622 HB3 SER 80 1HB SER 80 -0.629 17.660 6.193 623 HG SER 80 HG SER 80 1.163 18.009 4.082 624 H ARG 81 HN ARG 81 2.136 17.545 6.720 625 HA ARG 81 HA ARG 81 3.123 18.094 8.697 626 HB2 ARG 81 2HB ARG 81 0.762 16.640 9.887 627 HB3 ARG 81 1HB ARG 81 1.904 17.601 10.810 628 HG2 ARG 81 2HG ARG 81 0.078 18.604 8.637 629 HG3 ARG 81 1HG ARG 81 -0.125 18.847 10.373 630 HD2 ARG 81 2HD ARG 81 2.135 19.887 8.665 631 HD3 ARG 81 1HD ARG 81 0.815 20.835 9.342 632 HE ARG 81 HE ARG 81 2.195 19.488 11.409 633 HH11 ARG 81 1HH1 ARG 81 2.571 22.168 9.182 634 HH12 ARG 81 2HH1 ARG 81 3.635 23.051 10.218 635 HH21 ARG 81 1HH2 ARG 81 3.614 20.641 12.782 636 HH22 ARG 81 2HH2 ARG 81 4.232 22.179 12.280 637 H GLY 82 HN GLY 82 3.557 15.375 7.398 638 HA2 GLY 82 2HA GLY 82 5.008 13.642 7.750 639 HA3 GLY 82 1HA GLY 82 5.564 14.498 9.178 640 H GLN 83 HN GLN 83 2.259 13.446 8.657 641 HA GLN 83 HA GLN 83 2.376 11.934 11.117 642 HB2 GLN 83 2HB GLN 83 0.156 12.661 9.233 643 HB3 GLN 83 1HB GLN 83 -0.087 11.477 10.511 644 HG2 GLN 83 2HG GLN 83 0.811 14.322 10.910 645 HG3 GLN 83 1HG GLN 83 -0.822 13.707 11.177 646 HE21 GLN 83 1HE2 GLN 83 -1.215 12.360 12.928 647 HE22 GLN 83 2HE2 GLN 83 -0.121 12.238 14.259 648 H MET 84 HN MET 84 2.845 11.306 7.857 649 HA MET 84 HA MET 84 2.467 8.432 8.329 650 HB2 MET 84 2HB MET 84 0.986 9.328 6.567 651 HB3 MET 84 1HB MET 84 2.389 9.925 5.697 652 HG2 MET 84 2HG MET 84 1.422 7.813 4.805 653 HG3 MET 84 1HG MET 84 3.133 7.729 5.212 654 HE1 MET 84 3HE MET 84 -0.163 5.965 7.946 655 HE2 MET 84 1HE MET 84 -0.526 6.809 6.442 656 HE3 MET 84 2HE MET 84 0.164 7.691 7.803 657 H GLN 85 HN GLN 85 4.065 7.028 7.399 658 HA GLN 85 HA GLN 85 6.662 7.667 8.065 659 HB2 GLN 85 2HB GLN 85 5.836 5.620 6.006 660 HB3 GLN 85 1HB GLN 85 7.340 5.642 6.913 661 HG2 GLN 85 2HG GLN 85 4.570 5.175 7.992 662 HG3 GLN 85 1HG GLN 85 5.881 4.005 7.869 663 HE21 GLN 85 1HE2 GLN 85 7.610 4.143 9.309 664 HE22 GLN 85 2HE2 GLN 85 7.503 5.038 10.783 665 H LYS 86 HN LYS 86 8.379 8.553 7.097 666 HA LYS 86 HA LYS 86 8.042 10.314 4.983 667 HB2 LYS 86 2HB LYS 86 9.821 10.490 6.700 668 HB3 LYS 86 1HB LYS 86 10.673 9.167 5.916 669 HG2 LYS 86 2HG LYS 86 11.661 11.242 5.235 670 HG3 LYS 86 1HG LYS 86 10.818 10.536 3.859 671 HD2 LYS 86 2HD LYS 86 8.875 12.011 4.367 672 HD3 LYS 86 1HD LYS 86 9.847 12.783 5.622 673 HE2 LYS 86 2HE LYS 86 11.492 13.435 3.923 674 HE3 LYS 86 1HE LYS 86 10.499 12.681 2.679 675 HZ1 LYS 86 3HZ LYS 86 10.005 14.962 2.630 676 HZ2 LYS 86 1HZ LYS 86 9.857 15.057 4.317 677 HZ3 LYS 86 2HZ LYS 86 8.689 14.238 3.415 678 HA PRO 87 HA PRO 87 10.369 6.980 2.102 679 HB2 PRO 87 2HB PRO 87 9.412 4.435 2.769 680 HB3 PRO 87 1HB PRO 87 11.038 5.040 3.097 681 HG2 PRO 87 2HG PRO 87 8.662 4.913 4.903 682 HG3 PRO 87 1HG PRO 87 10.371 4.624 5.274 683 HD2 PRO 87 2HD PRO 87 9.191 6.900 5.985 684 HD3 PRO 87 1HD PRO 87 10.859 6.899 5.370 685 H PHE 88 HN PHE 88 7.215 6.789 3.531 686 HA PHE 88 HA PHE 88 5.915 5.900 1.100 687 HB2 PHE 88 2HB PHE 88 5.080 5.155 3.299 688 HB3 PHE 88 1HB PHE 88 4.797 6.825 3.764 689 HD1 PHE 88 1HD PHE 88 2.994 8.122 2.640 690 HD2 PHE 88 2HD PHE 88 3.517 3.948 2.009 691 HE1 PHE 88 1HE PHE 88 0.707 7.974 1.762 692 HE2 PHE 88 2HE PHE 88 1.228 3.796 1.124 693 HZ PHE 88 HZ PHE 88 -0.178 5.817 1.002 694 H GLU 89 HN GLU 89 6.203 8.791 3.090 695 HA GLU 89 HA GLU 89 4.480 10.490 1.698 696 HB2 GLU 89 2HB GLU 89 5.383 10.957 3.938 697 HB3 GLU 89 1HB GLU 89 6.979 11.187 3.244 698 HG2 GLU 89 2HG GLU 89 6.153 13.108 1.982 699 HG3 GLU 89 1HG GLU 89 4.552 12.875 2.684 700 H ASP 90 HN ASP 90 8.023 10.131 1.389 701 HA ASP 90 HA ASP 90 8.445 12.004 -0.630 702 HB2 ASP 90 2HB ASP 90 9.899 9.498 0.140 703 HB3 ASP 90 1HB ASP 90 10.373 10.365 -1.314 704 H ALA 91 HN ALA 91 7.665 8.580 -0.917 705 HA ALA 91 HA ALA 91 7.751 8.480 -3.724 706 HB1 ALA 91 1HB ALA 91 6.567 6.360 -3.507 707 HB2 ALA 91 2HB ALA 91 6.194 6.732 -1.824 708 HB3 ALA 91 3HB ALA 91 7.868 6.482 -2.322 709 H SER 92 HN SER 92 5.101 9.098 -1.462 710 HA SER 92 HA SER 92 3.026 9.114 -3.381 711 HB2 SER 92 2HB SER 92 3.134 10.543 -0.717 712 HB3 SER 92 1HB SER 92 1.679 10.177 -1.644 713 HG SER 92 HG SER 92 3.476 8.334 -0.447 714 H PHE 93 HN PHE 93 4.971 11.721 -1.969 715 HA PHE 93 HA PHE 93 3.648 13.840 -3.286 716 HB2 PHE 93 2HB PHE 93 6.317 13.575 -1.932 717 HB3 PHE 93 1HB PHE 93 5.899 15.050 -2.791 718 HD1 PHE 93 2HD PHE 93 3.679 12.892 -0.717 719 HD2 PHE 93 1HD PHE 93 5.703 16.618 -1.086 720 HE1 PHE 93 2HE PHE 93 2.500 13.726 1.274 721 HE2 PHE 93 1HE PHE 93 4.528 17.457 0.906 722 HZ PHE 93 HZ PHE 93 2.924 16.011 2.088 723 H ALA 94 HN ALA 94 6.056 11.599 -4.330 724 HA ALA 94 HA ALA 94 6.878 13.229 -6.584 725 HB1 ALA 94 1HB ALA 94 8.365 11.385 -7.133 726 HB2 ALA 94 2HB ALA 94 7.609 10.388 -5.891 727 HB3 ALA 94 3HB ALA 94 8.521 11.824 -5.433 728 H LEU 95 HN LEU 95 4.256 11.309 -5.940 729 HA LEU 95 HA LEU 95 4.018 10.270 -8.668 730 HB2 LEU 95 2HB LEU 95 2.258 9.872 -6.248 731 HB3 LEU 95 1HB LEU 95 1.987 9.139 -7.814 732 HG LEU 95 HG LEU 95 4.337 8.605 -5.999 733 HD11 LEU 95 1HD1 LEU 95 1.955 6.901 -6.709 734 HD12 LEU 95 2HD1 LEU 95 2.240 7.690 -5.157 735 HD13 LEU 95 3HD1 LEU 95 3.321 6.411 -5.707 736 HD21 LEU 95 3HD2 LEU 95 4.883 6.824 -7.579 737 HD22 LEU 95 1HD2 LEU 95 4.938 8.406 -8.358 738 HD23 LEU 95 2HD2 LEU 95 3.559 7.337 -8.621 739 H ARG 96 HN ARG 96 2.444 10.940 -10.071 740 HA ARG 96 HA ARG 96 1.093 13.429 -9.395 741 HB2 ARG 96 2HB ARG 96 1.474 11.932 -11.978 742 HB3 ARG 96 1HB ARG 96 0.367 13.286 -11.843 743 HG2 ARG 96 2HG ARG 96 2.234 14.727 -11.171 744 HG3 ARG 96 1HG ARG 96 3.338 13.363 -11.366 745 HD2 ARG 96 2HD ARG 96 2.760 13.198 -13.713 746 HD3 ARG 96 1HD ARG 96 1.580 14.493 -13.533 747 HE ARG 96 HE ARG 96 4.229 15.272 -12.771 748 HH11 ARG 96 1HH1 ARG 96 2.044 14.862 -15.485 749 HH12 ARG 96 2HH1 ARG 96 2.849 16.024 -16.481 750 HH21 ARG 96 1HH2 ARG 96 5.315 16.815 -14.094 751 HH22 ARG 96 2HH2 ARG 96 4.716 17.134 -15.686 752 H THR 97 HN THR 97 -1.171 13.512 -10.595 753 HA THR 97 HA THR 97 -2.922 11.897 -9.110 754 HB THR 97 HB THR 97 -3.563 13.435 -11.635 755 HG1 THR 97 1HG THR 97 -3.646 14.410 -8.954 756 HG21 THR 97 3HG2 THR 97 -5.763 13.700 -10.583 757 HG22 THR 97 1HG2 THR 97 -5.221 12.745 -9.203 758 HG23 THR 97 2HG2 THR 97 -5.364 11.997 -10.792 759 H GLY 98 HN GLY 98 -3.601 9.867 -9.482 760 HA2 GLY 98 2HA GLY 98 -4.348 8.029 -10.671 761 HA3 GLY 98 1HA GLY 98 -4.036 8.900 -12.166 762 H GLU 99 HN GLU 99 -1.510 8.739 -9.831 763 HA GLU 99 HA GLU 99 -0.156 6.803 -11.565 764 HB2 GLU 99 2HB GLU 99 0.816 9.101 -11.529 765 HB3 GLU 99 1HB GLU 99 1.143 8.891 -9.815 766 HG2 GLU 99 2HG GLU 99 3.125 8.486 -11.190 767 HG3 GLU 99 1HG GLU 99 2.634 7.051 -10.290 768 H MET 100 HN MET 100 0.998 5.152 -10.695 769 HA MET 100 HA MET 100 0.638 4.666 -7.813 770 HB2 MET 100 2HB MET 100 -0.925 3.291 -9.142 771 HB3 MET 100 1HB MET 100 0.426 2.648 -10.060 772 HG2 MET 100 2HG MET 100 1.308 1.583 -8.065 773 HG3 MET 100 1HG MET 100 0.007 2.278 -7.102 774 HE1 MET 100 3HE MET 100 -0.249 0.765 -10.754 775 HE2 MET 100 1HE MET 100 -0.624 -0.916 -10.382 776 HE3 MET 100 2HE MET 100 0.948 -0.246 -9.945 777 H SER 101 HN SER 101 2.429 3.993 -6.751 778 HA SER 101 HA SER 101 4.927 4.075 -8.175 779 HB2 SER 101 2HB SER 101 5.878 3.656 -5.855 780 HB3 SER 101 1HB SER 101 4.917 5.125 -6.034 781 HG SER 101 HG SER 101 4.405 3.862 -4.143 782 H GLY 102 HN GLY 102 3.713 1.708 -5.842 783 HA2 GLY 102 2HA GLY 102 3.475 -0.605 -6.973 784 HA3 GLY 102 1HA GLY 102 5.193 -0.367 -7.278 785 HA PRO 103 HA PRO 103 5.102 -2.448 -3.249 786 HB2 PRO 103 2HB PRO 103 7.434 -3.771 -3.543 787 HB3 PRO 103 1HB PRO 103 5.927 -4.346 -4.260 788 HG2 PRO 103 2HG PRO 103 8.195 -2.887 -5.538 789 HG3 PRO 103 1HG PRO 103 7.213 -4.217 -6.177 790 HD2 PRO 103 2HD PRO 103 6.848 -1.575 -6.835 791 HD3 PRO 103 1HD PRO 103 5.572 -2.804 -6.912 792 H VAL 104 HN VAL 104 5.420 -0.579 -2.014 793 HA VAL 104 HA VAL 104 8.150 0.425 -1.745 794 HB VAL 104 HB VAL 104 5.605 1.372 -0.389 795 HG11 VAL 104 1HG1 VAL 104 8.345 2.636 -0.517 796 HG12 VAL 104 2HG1 VAL 104 7.602 1.907 0.906 797 HG13 VAL 104 3HG1 VAL 104 6.908 3.365 0.200 798 HG21 VAL 104 3HG2 VAL 104 5.704 3.263 -1.953 799 HG22 VAL 104 1HG2 VAL 104 5.517 1.726 -2.800 800 HG23 VAL 104 2HG2 VAL 104 7.090 2.522 -2.752 801 H PHE 105 HN PHE 105 9.417 -0.664 -0.421 802 HA PHE 105 HA PHE 105 8.318 -2.391 1.610 803 HB2 PHE 105 2HB PHE 105 11.130 -1.889 0.652 804 HB3 PHE 105 1HB PHE 105 10.755 -2.973 1.987 805 HD1 PHE 105 1HD PHE 105 10.159 -2.382 -1.621 806 HD2 PHE 105 2HD PHE 105 10.049 -5.167 1.591 807 HE1 PHE 105 1HE PHE 105 9.751 -4.203 -3.218 808 HE2 PHE 105 2HE PHE 105 9.642 -6.994 0.000 809 HZ PHE 105 HZ PHE 105 9.493 -6.513 -2.408 810 H THR 106 HN THR 106 8.005 -1.885 3.625 811 HA THR 106 HA THR 106 9.696 0.128 4.933 812 HB THR 106 HB THR 106 7.690 1.003 6.122 813 HG1 THR 106 1HG THR 106 6.450 -0.903 4.471 814 HG21 THR 106 3HG2 THR 106 6.778 2.336 4.266 815 HG22 THR 106 1HG2 THR 106 7.523 1.229 3.110 816 HG23 THR 106 2HG2 THR 106 8.535 2.218 4.164 817 H ASP 107 HN ASP 107 9.166 0.034 7.406 818 HA ASP 107 HA ASP 107 9.722 -2.565 8.339 819 HB2 ASP 107 2HB ASP 107 8.737 -0.126 9.821 820 HB3 ASP 107 1HB ASP 107 9.246 -1.609 10.614 821 H SER 108 HN SER 108 6.743 -0.831 7.913 822 HA SER 108 HA SER 108 5.144 -2.670 9.436 823 HB2 SER 108 2HB SER 108 3.233 -1.357 8.473 824 HB3 SER 108 1HB SER 108 4.425 -0.376 9.326 825 HG SER 108 HG SER 108 5.262 -0.452 6.852 826 H GLY 109 HN GLY 109 6.577 -2.917 6.448 827 HA2 GLY 109 2HA GLY 109 6.144 -5.119 5.379 828 HA3 GLY 109 1HA GLY 109 4.439 -4.692 5.457 829 H ILE 110 HN ILE 110 4.330 -4.979 3.177 830 HA ILE 110 HA ILE 110 5.805 -3.032 1.560 831 HB ILE 110 HB ILE 110 4.022 -5.290 0.611 832 HG12 ILE 110 2HG1 ILE 110 7.044 -5.234 0.827 833 HG13 ILE 110 1HG1 ILE 110 5.977 -6.107 1.921 834 HG21 ILE 110 1HG2 ILE 110 6.056 -3.581 -0.822 835 HG22 ILE 110 2HG2 ILE 110 4.306 -3.533 -1.037 836 HG23 ILE 110 3HG2 ILE 110 5.217 -4.962 -1.526 837 HD11 ILE 110 3HD1 ILE 110 6.963 -7.591 0.271 838 HD12 ILE 110 1HD1 ILE 110 6.283 -6.616 -1.030 839 HD13 ILE 110 2HD1 ILE 110 5.213 -7.496 0.062 840 H HIS 111 HN HIS 111 4.850 -1.248 0.814 841 HA HIS 111 HA HIS 111 1.906 -1.075 0.980 842 HB2 HIS 111 2HB HIS 111 3.994 1.083 1.283 843 HB3 HIS 111 1HB HIS 111 2.287 1.422 1.068 844 HD1 HIS 111 1HD HIS 111 0.704 0.687 3.068 845 HD2 HIS 111 2HD HIS 111 4.776 0.466 3.824 846 HE1 HIS 111 1HE HIS 111 0.921 0.615 5.574 847 HE2 HIS 111 2HE HIS 111 3.389 0.324 5.999 848 H ILE 112 HN ILE 112 0.804 -0.601 -0.809 849 HA ILE 112 HA ILE 112 2.311 0.214 -3.206 850 HB ILE 112 HB ILE 112 -0.549 -0.792 -3.089 851 HG12 ILE 112 2HG1 ILE 112 1.954 -2.338 -3.810 852 HG13 ILE 112 1HG1 ILE 112 1.011 -2.554 -2.340 853 HG21 ILE 112 1HG2 ILE 112 1.370 -0.446 -5.395 854 HG22 ILE 112 2HG2 ILE 112 -0.029 0.569 -5.043 855 HG23 ILE 112 3HG2 ILE 112 -0.257 -1.118 -5.509 856 HD11 ILE 112 3HD1 ILE 112 0.504 -4.290 -3.954 857 HD12 ILE 112 1HD1 ILE 112 0.059 -3.070 -5.148 858 HD13 ILE 112 2HD1 ILE 112 -0.905 -3.266 -3.686 859 H ILE 113 HN ILE 113 2.069 2.285 -3.889 860 HA ILE 113 HA ILE 113 0.017 3.893 -2.523 861 HB ILE 113 HB ILE 113 2.516 4.926 -3.865 862 HG12 ILE 113 2HG1 ILE 113 2.050 4.397 -0.922 863 HG13 ILE 113 1HG1 ILE 113 3.056 3.407 -1.974 864 HG21 ILE 113 1HG2 ILE 113 2.060 6.946 -2.542 865 HG22 ILE 113 2HG2 ILE 113 0.595 6.195 -1.910 866 HG23 ILE 113 3HG2 ILE 113 0.723 6.564 -3.630 867 HD11 ILE 113 3HD1 ILE 113 3.523 6.299 -1.287 868 HD12 ILE 113 1HD1 ILE 113 4.536 5.312 -2.341 869 HD13 ILE 113 2HD1 ILE 113 4.396 4.916 -0.628 870 H LEU 114 HN LEU 114 -1.556 4.777 -3.643 871 HA LEU 114 HA LEU 114 -1.197 5.291 -6.518 872 HB2 LEU 114 2HB LEU 114 -2.570 3.301 -6.322 873 HB3 LEU 114 1HB LEU 114 -3.606 4.085 -5.149 874 HG LEU 114 HG LEU 114 -4.318 5.685 -6.938 875 HD11 LEU 114 1HD1 LEU 114 -2.864 3.782 -8.761 876 HD12 LEU 114 2HD1 LEU 114 -2.377 5.439 -8.403 877 HD13 LEU 114 3HD1 LEU 114 -3.889 5.129 -9.256 878 HD21 LEU 114 3HD2 LEU 114 -5.797 4.095 -8.062 879 HD22 LEU 114 1HD2 LEU 114 -5.694 3.775 -6.331 880 HD23 LEU 114 2HD2 LEU 114 -4.809 2.759 -7.469 881 H ARG 115 HN ARG 115 -1.182 7.464 -6.652 882 HA ARG 115 HA ARG 115 -2.628 9.064 -4.725 883 HB2 ARG 115 2HB ARG 115 -0.451 9.861 -5.438 884 HB3 ARG 115 1HB ARG 115 -0.971 9.877 -7.120 885 HG2 ARG 115 2HG ARG 115 -2.626 11.605 -6.583 886 HG3 ARG 115 1HG ARG 115 -2.071 11.602 -4.911 887 HD2 ARG 115 2HD ARG 115 0.090 12.406 -5.567 888 HD3 ARG 115 1HD ARG 115 -0.313 12.222 -7.276 889 HE ARG 115 HE ARG 115 -2.181 13.927 -6.000 890 HH11 ARG 115 1HH1 ARG 115 1.149 13.929 -7.149 891 HH12 ARG 115 2HH1 ARG 115 1.148 15.634 -7.473 892 HH21 ARG 115 1HH2 ARG 115 -2.173 16.129 -6.439 893 HH22 ARG 115 2HH2 ARG 115 -0.752 16.895 -7.074 894 H THR 116 HN THR 116 -4.667 9.670 -4.935 895 HA THR 116 HA THR 116 -5.912 9.444 -7.566 896 HB THR 116 HB THR 116 -8.060 9.563 -6.282 897 HG1 THR 116 1HG THR 116 -7.959 10.102 -4.251 898 HG21 THR 116 3HG2 THR 116 -7.878 7.305 -5.330 899 HG22 THR 116 1HG2 THR 116 -6.121 7.408 -5.426 900 HG23 THR 116 2HG2 THR 116 -7.086 7.403 -6.904 901 H GLU 117 HN GLU 117 -5.138 11.739 -5.064 902 HA GLU 117 HA GLU 117 -6.551 13.864 -6.517 903 HB2 GLU 117 2HB GLU 117 -5.493 13.738 -3.693 904 HB3 GLU 117 1HB GLU 117 -6.152 15.191 -4.425 905 HG2 GLU 117 2HG GLU 117 -7.694 12.628 -4.133 906 HG3 GLU 117 1HG GLU 117 -7.721 13.936 -2.951
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