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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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12176 |
1smg ![]() ![]() |
cing | 1-original | 10 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 HT1 ALA 1 66.182 13.029 15.202 2 2H ALA 1 HT3 ALA 1 65.846 11.450 14.683 3 3H ALA 1 HT2 ALA 1 65.846 11.816 16.342 4 HA ALA 1 HA ALA 1 68.164 12.105 16.406 5 1HB ALA 1 HB1 ALA 1 66.952 9.695 15.493 6 2HB ALA 1 HB3 ALA 1 68.486 9.867 14.641 7 3HB ALA 1 HB2 ALA 1 68.452 9.873 16.404 8 H SER 2 HN SER 2 67.492 11.090 13.030 9 HA SER 2 HA SER 2 69.325 13.265 12.133 10 1HB SER 2 HB2 SER 2 70.699 11.287 12.095 11 2HB SER 2 HB1 SER 2 69.420 10.345 11.335 12 HG SER 2 HG SER 2 71.149 11.227 9.935 13 H MET 3 HN MET 3 69.099 13.576 9.684 14 HA MET 3 HA MET 3 66.625 12.626 8.453 15 1HB MET 3 HB2 MET 3 65.635 14.358 9.810 16 2HB MET 3 HB1 MET 3 66.900 15.504 9.363 17 1HG MET 3 HG2 MET 3 66.071 15.780 7.196 18 2HG MET 3 HG1 MET 3 65.223 14.233 7.217 19 1HE MET 3 HE3 MET 3 65.812 17.125 9.333 20 2HE MET 3 HE2 MET 3 64.307 18.029 9.473 21 3HE MET 3 HE1 MET 3 64.608 16.663 10.545 22 H THR 4 HN THR 4 68.067 11.978 6.777 23 HA THR 4 HA THR 4 69.836 13.936 5.515 24 HB THR 4 HB THR 4 69.825 11.927 3.743 25 HG1 THR 4 HG1 THR 4 69.598 10.068 5.434 26 1HG2 THR 4 HG23 THR 4 71.733 12.686 5.135 27 2HG2 THR 4 HG22 THR 4 71.101 11.745 6.487 28 3HG2 THR 4 HG21 THR 4 71.657 10.927 5.027 29 H ASP 5 HN ASP 5 69.562 14.771 3.370 30 HA ASP 5 HA ASP 5 66.846 15.478 2.703 31 1HB ASP 5 HB2 ASP 5 69.387 15.730 1.064 32 2HB ASP 5 HB1 ASP 5 67.856 16.528 0.702 33 H GLN 6 HN GLN 6 69.041 12.950 1.640 34 HA GLN 6 HA GLN 6 67.700 12.213 -0.767 35 1HB GLN 6 HB2 GLN 6 68.824 10.059 -0.532 36 2HB GLN 6 HB1 GLN 6 69.938 11.348 -0.074 37 1HG GLN 6 HG2 GLN 6 69.765 10.863 2.212 38 2HG GLN 6 HG1 GLN 6 68.230 10.018 2.015 39 1HE2 GLN 6 HE22 GLN 6 71.369 7.905 0.444 40 2HE2 GLN 6 HE21 GLN 6 71.103 9.511 -0.040 41 H GLN 7 HN GLN 7 66.941 11.640 2.598 42 HA GLN 7 HA GLN 7 65.000 9.530 2.051 43 1HB GLN 7 HB2 GLN 7 65.605 11.224 4.484 44 2HB GLN 7 HB1 GLN 7 64.312 10.024 4.460 45 1HG GLN 7 HG2 GLN 7 65.833 8.232 4.117 46 2HG GLN 7 HG1 GLN 7 67.144 9.326 3.675 47 1HE2 GLN 7 HE22 GLN 7 68.109 8.685 7.081 48 2HE2 GLN 7 HE21 GLN 7 68.347 8.151 5.487 49 H ALA 8 HN ALA 8 64.991 13.001 2.060 50 HA ALA 8 HA ALA 8 62.154 13.366 2.481 51 1HB ALA 8 HB1 ALA 8 64.187 15.135 1.087 52 2HB ALA 8 HB3 ALA 8 62.555 15.631 1.534 53 3HB ALA 8 HB2 ALA 8 63.727 15.222 2.787 54 H GLU 9 HN GLU 9 64.190 13.023 -0.420 55 HA GLU 9 HA GLU 9 61.902 13.313 -2.218 56 1HB GLU 9 HB2 GLU 9 64.817 12.654 -2.552 57 2HB GLU 9 HB1 GLU 9 63.696 12.374 -3.885 58 1HG GLU 9 HG2 GLU 9 63.280 14.620 -4.194 59 2HG GLU 9 HG1 GLU 9 63.550 15.011 -2.495 60 H ALA 10 HN ALA 10 63.730 10.663 -0.775 61 HA ALA 10 HA ALA 10 62.771 8.533 -2.385 62 1HB ALA 10 HB3 ALA 10 63.742 8.745 0.449 63 2HB ALA 10 HB2 ALA 10 63.043 7.227 -0.114 64 3HB ALA 10 HB1 ALA 10 64.465 7.894 -0.915 65 H ARG 11 HN ARG 11 61.496 9.545 0.815 66 HA ARG 11 HA ARG 11 59.127 7.949 0.614 67 1HB ARG 11 HB2 ARG 11 59.941 10.307 2.295 68 2HB ARG 11 HB1 ARG 11 58.283 9.710 2.358 69 1HG ARG 11 HG2 ARG 11 58.878 7.782 3.427 70 2HG ARG 11 HG1 ARG 11 60.388 7.632 2.528 71 1HD ARG 11 HD2 ARG 11 60.648 8.129 5.010 72 2HD ARG 11 HD1 ARG 11 61.481 9.244 3.927 73 HE ARG 11 HE ARG 11 58.877 9.869 5.262 74 1HH1 ARG 11 HH21 ARG 11 59.109 11.778 3.210 75 2HH1 ARG 11 HH22 ARG 11 60.175 12.998 3.821 76 1HH2 ARG 11 HH11 ARG 11 61.464 10.987 6.334 77 2HH2 ARG 11 HH12 ARG 11 61.509 12.550 5.590 78 H ALA 12 HN ALA 12 60.001 10.975 -0.805 79 HA ALA 12 HA ALA 12 57.300 11.966 -1.196 80 1HB ALA 12 HB3 ALA 12 60.022 12.677 -2.219 81 2HB ALA 12 HB2 ALA 12 58.615 13.280 -3.095 82 3HB ALA 12 HB1 ALA 12 58.837 13.690 -1.394 83 H PHE 13 HN PHE 13 59.501 9.897 -3.022 84 HA PHE 13 HA PHE 13 57.673 9.841 -5.335 85 1HB PHE 13 HB2 PHE 13 60.118 9.783 -5.700 86 2HB PHE 13 HB1 PHE 13 60.215 8.276 -4.789 87 HD1 PHE 13 HD1 PHE 13 58.828 9.859 -7.849 88 HD2 PHE 13 HD2 PHE 13 59.596 6.183 -5.765 89 HE1 PHE 13 HE1 PHE 13 58.266 8.581 -9.899 90 HE2 PHE 13 HE2 PHE 13 59.035 4.904 -7.816 91 HZ PHE 13 HZ PHE 13 58.370 6.102 -9.883 92 H LEU 14 HN LEU 14 58.435 7.919 -2.510 93 HA LEU 14 HA LEU 14 56.939 5.590 -3.521 94 1HB LEU 14 HB2 LEU 14 58.019 6.068 -0.730 95 2HB LEU 14 HB1 LEU 14 57.553 4.523 -1.443 96 HG LEU 14 HG LEU 14 59.694 6.236 -2.699 97 1HD1 LEU 14 HD12 LEU 14 60.228 5.744 -0.274 98 2HD1 LEU 14 HD11 LEU 14 60.161 4.028 -0.678 99 3HD1 LEU 14 HD13 LEU 14 61.374 5.064 -1.429 100 1HD2 LEU 14 HD23 LEU 14 58.552 3.529 -3.031 101 2HD2 LEU 14 HD22 LEU 14 59.356 4.562 -4.212 102 3HD2 LEU 14 HD21 LEU 14 60.314 3.598 -3.087 103 H SER 15 HN SER 15 54.801 5.230 -3.108 104 HA SER 15 HA SER 15 53.261 7.301 -1.744 105 1HB SER 15 HB2 SER 15 51.315 5.934 -2.353 106 2HB SER 15 HB1 SER 15 52.386 6.109 -3.739 107 HG SER 15 HG SER 15 51.669 3.931 -3.348 108 H GLU 16 HN GLU 16 51.971 6.949 0.167 109 HA GLU 16 HA GLU 16 53.242 5.698 2.325 110 1HB GLU 16 HB2 GLU 16 50.523 6.722 1.783 111 2HB GLU 16 HB1 GLU 16 50.619 5.522 3.074 112 1HG GLU 16 HG2 GLU 16 52.708 7.633 3.095 113 2HG GLU 16 HG1 GLU 16 51.071 8.157 3.488 114 H GLU 17 HN GLU 17 50.966 4.320 -0.001 115 HA GLU 17 HA GLU 17 50.574 1.834 1.407 116 1HB GLU 17 HB2 GLU 17 49.973 2.913 -1.289 117 2HB GLU 17 HB1 GLU 17 50.140 1.159 -1.189 118 1HG GLU 17 HG2 GLU 17 48.464 1.048 0.570 119 2HG GLU 17 HG1 GLU 17 48.368 2.808 0.635 120 H MET 18 HN MET 18 52.903 2.928 -1.034 121 HA MET 18 HA MET 18 54.096 0.345 -1.477 122 1HB MET 18 HB2 MET 18 54.403 2.916 -2.532 123 2HB MET 18 HB1 MET 18 55.954 2.572 -1.763 124 1HG MET 18 HG2 MET 18 56.216 0.538 -3.023 125 2HG MET 18 HG1 MET 18 54.566 0.640 -3.636 126 1HE MET 18 HE2 MET 18 53.635 2.240 -5.038 127 2HE MET 18 HE1 MET 18 54.475 2.972 -6.403 128 3HE MET 18 HE3 MET 18 54.428 1.212 -6.230 129 H ILE 19 HN ILE 19 55.301 3.141 0.418 130 HA ILE 19 HA ILE 19 57.515 1.970 1.612 131 HB ILE 19 HB ILE 19 55.482 3.902 2.745 132 1HG1 ILE 19 HG12 ILE 19 58.194 4.847 2.413 133 2HG1 ILE 19 HG11 ILE 19 57.621 4.118 0.911 134 1HG2 ILE 19 HG23 ILE 19 57.871 2.630 4.023 135 2HG2 ILE 19 HG22 ILE 19 57.561 4.336 4.344 136 3HG2 ILE 19 HG21 ILE 19 56.343 3.127 4.750 137 1HD1 ILE 19 HD11 ILE 19 55.620 5.813 2.239 138 2HD1 ILE 19 HD13 ILE 19 57.061 6.689 1.724 139 3HD1 ILE 19 HD12 ILE 19 56.117 5.775 0.547 140 H ALA 20 HN ALA 20 54.110 1.522 2.489 141 HA ALA 20 HA ALA 20 54.494 0.099 4.916 142 1HB ALA 20 HB1 ALA 20 52.336 0.040 2.810 143 2HB ALA 20 HB3 ALA 20 52.268 -1.034 4.207 144 3HB ALA 20 HB2 ALA 20 52.266 0.715 4.438 145 H GLU 21 HN GLU 21 54.279 -1.118 1.563 146 HA GLU 21 HA GLU 21 54.600 -3.878 2.221 147 1HB GLU 21 HB2 GLU 21 55.075 -2.236 -0.255 148 2HB GLU 21 HB1 GLU 21 55.581 -3.925 -0.212 149 1HG GLU 21 HG2 GLU 21 53.116 -4.251 0.764 150 2HG GLU 21 HG1 GLU 21 52.828 -2.767 -0.145 151 H PHE 22 HN PHE 22 57.017 -1.432 1.237 152 HA PHE 22 HA PHE 22 59.307 -3.063 1.301 153 1HB PHE 22 HB2 PHE 22 59.092 -0.179 2.221 154 2HB PHE 22 HB1 PHE 22 60.576 -1.002 1.741 155 HD1 PHE 22 HD1 PHE 22 59.366 -2.646 -0.534 156 HD2 PHE 22 HD2 PHE 22 59.040 1.509 0.506 157 HE1 PHE 22 HE1 PHE 22 58.910 -2.087 -2.907 158 HE2 PHE 22 HE2 PHE 22 58.583 2.067 -1.866 159 HZ PHE 22 HZ PHE 22 58.519 0.270 -3.573 160 H LYS 23 HN LYS 23 57.426 -1.759 3.959 161 HA LYS 23 HA LYS 23 59.376 -2.151 6.028 162 1HB LYS 23 HB2 LYS 23 57.332 -0.789 6.339 163 2HB LYS 23 HB1 LYS 23 56.349 -2.248 6.212 164 1HG LYS 23 HG2 LYS 23 56.659 -1.785 8.562 165 2HG LYS 23 HG1 LYS 23 57.646 -3.191 8.162 166 1HD LYS 23 HD2 LYS 23 59.640 -1.804 7.998 167 2HD LYS 23 HD1 LYS 23 58.682 -0.343 8.252 168 1HE LYS 23 HE2 LYS 23 58.205 -2.304 10.349 169 2HE LYS 23 HE1 LYS 23 59.915 -1.882 10.237 170 1HZ LYS 23 HZ1 LYS 23 58.633 0.502 9.969 171 2HZ LYS 23 HZ3 LYS 23 57.704 -0.301 11.140 172 3HZ LYS 23 HZ2 LYS 23 59.370 -0.075 11.387 173 H ALA 24 HN ALA 24 56.888 -4.267 4.635 174 HA ALA 24 HA ALA 24 57.045 -6.418 6.446 175 1HB ALA 24 HB3 ALA 24 56.584 -6.345 3.460 176 2HB ALA 24 HB2 ALA 24 56.491 -7.841 4.388 177 3HB ALA 24 HB1 ALA 24 55.382 -6.515 4.740 178 H ALA 25 HN ALA 25 59.130 -5.683 3.652 179 HA ALA 25 HA ALA 25 60.744 -8.070 3.975 180 1HB ALA 25 HB1 ALA 25 60.447 -6.294 1.955 181 2HB ALA 25 HB3 ALA 25 61.935 -5.681 2.673 182 3HB ALA 25 HB2 ALA 25 61.853 -7.349 2.107 183 H PHE 26 HN PHE 26 60.960 -4.735 5.140 184 HA PHE 26 HA PHE 26 63.613 -4.726 6.085 185 1HB PHE 26 HB2 PHE 26 61.904 -2.814 6.132 186 2HB PHE 26 HB1 PHE 26 61.308 -3.527 7.632 187 HD1 PHE 26 HD1 PHE 26 64.728 -3.013 6.166 188 HD2 PHE 26 HD2 PHE 26 62.089 -2.366 9.493 189 HE1 PHE 26 HE1 PHE 26 66.574 -1.929 7.420 190 HE2 PHE 26 HE2 PHE 26 63.934 -1.282 10.746 191 HZ PHE 26 HZ PHE 26 66.177 -1.065 9.710 192 H ASP 27 HN ASP 27 60.702 -5.557 8.012 193 HA ASP 27 HA ASP 27 62.061 -6.495 10.295 194 1HB ASP 27 HB2 ASP 27 59.389 -7.084 9.070 195 2HB ASP 27 HB1 ASP 27 59.943 -8.082 10.416 196 H MET 28 HN MET 28 61.546 -8.049 7.193 197 HA MET 28 HA MET 28 62.060 -10.743 7.918 198 1HB MET 28 HB2 MET 28 61.630 -9.375 5.547 199 2HB MET 28 HB1 MET 28 63.291 -9.945 5.379 200 1HG MET 28 HG2 MET 28 60.935 -11.692 6.152 201 2HG MET 28 HG1 MET 28 61.637 -11.606 4.537 202 1HE MET 28 HE2 MET 28 64.194 -11.652 4.231 203 2HE MET 28 HE1 MET 28 64.821 -11.086 5.777 204 3HE MET 28 HE3 MET 28 65.306 -12.666 5.147 205 H PHE 29 HN PHE 29 64.394 -8.307 6.703 206 HA PHE 29 HA PHE 29 66.654 -10.010 7.438 207 1HB PHE 29 HB2 PHE 29 66.523 -7.127 6.507 208 2HB PHE 29 HB1 PHE 29 68.013 -8.046 6.719 209 HD1 PHE 29 HD2 PHE 29 64.834 -7.865 4.806 210 HD2 PHE 29 HD1 PHE 29 68.720 -9.670 5.107 211 HE1 PHE 29 HE2 PHE 29 64.559 -8.837 2.541 212 HE2 PHE 29 HE1 PHE 29 68.446 -10.639 2.845 213 HZ PHE 29 HZ PHE 29 66.365 -10.225 1.561 214 H ASP 30 HN ASP 30 64.648 -7.837 9.106 215 HA ASP 30 HA ASP 30 66.739 -7.006 11.018 216 1HB ASP 30 HB2 ASP 30 64.700 -5.589 10.204 217 2HB ASP 30 HB1 ASP 30 63.791 -6.528 11.388 218 H ALA 31 HN ALA 31 66.826 -9.621 11.213 219 HA ALA 31 HA ALA 31 64.832 -10.829 12.922 220 1HB ALA 31 HB2 ALA 31 67.157 -11.675 11.515 221 2HB ALA 31 HB1 ALA 31 67.381 -12.120 13.206 222 3HB ALA 31 HB3 ALA 31 65.960 -12.683 12.328 223 H ASP 32 HN ASP 32 67.463 -8.695 13.507 224 HA ASP 32 HA ASP 32 67.942 -9.531 16.263 225 1HB ASP 32 HB2 ASP 32 69.048 -7.599 14.393 226 2HB ASP 32 HB1 ASP 32 68.803 -6.877 15.983 227 H GLY 33 HN GLY 33 65.824 -7.273 14.614 228 1HA GLY 33 HA2 GLY 33 63.858 -6.282 15.500 229 2HA GLY 33 HA1 GLY 33 64.296 -6.907 17.091 230 H GLY 34 HN GLY 34 66.838 -5.281 15.483 231 1HA GLY 34 HA2 GLY 34 66.573 -3.030 17.397 232 2HA GLY 34 HA1 GLY 34 68.028 -3.438 16.486 233 H GLY 35 HN GLY 35 66.199 -3.751 14.032 234 1HA GLY 35 HA2 GLY 35 65.077 -2.288 12.490 235 2HA GLY 35 HA1 GLY 35 65.456 -0.926 13.545 236 H ASP 36 HN ASP 36 67.753 -3.371 12.411 237 HA ASP 36 HA ASP 36 68.891 -1.539 10.419 238 1HB ASP 36 HB2 ASP 36 71.051 -1.299 11.478 239 2HB ASP 36 HB1 ASP 36 69.828 -0.774 12.637 240 H ILE 37 HN ILE 37 69.902 -2.719 8.834 241 HA ILE 37 HA ILE 37 70.489 -5.586 9.453 242 HB ILE 37 HB ILE 37 68.730 -5.822 7.976 243 1HG1 ILE 37 HG12 ILE 37 71.108 -5.381 6.145 244 2HG1 ILE 37 HG11 ILE 37 70.589 -6.910 6.857 245 1HG2 ILE 37 HG21 ILE 37 69.654 -3.225 6.731 246 2HG2 ILE 37 HG23 ILE 37 68.347 -4.203 6.066 247 3HG2 ILE 37 HG22 ILE 37 68.191 -3.502 7.676 248 1HD1 ILE 37 HD11 ILE 37 68.324 -6.411 5.658 249 2HD1 ILE 37 HD13 ILE 37 69.280 -5.301 4.679 250 3HD1 ILE 37 HD12 ILE 37 69.674 -7.020 4.701 251 H SER 38 HN SER 38 72.130 -6.493 7.826 252 HA SER 38 HA SER 38 74.423 -4.642 7.766 253 1HB SER 38 HB2 SER 38 74.017 -7.572 7.588 254 2HB SER 38 HB1 SER 38 75.358 -6.934 6.639 255 HG SER 38 HG SER 38 74.975 -7.027 9.390 256 H THR 39 HN THR 39 75.345 -3.822 5.892 257 HA THR 39 HA THR 39 73.741 -3.555 3.551 258 HB THR 39 HB THR 39 76.062 -2.909 2.514 259 HG1 THR 39 HG1 THR 39 77.523 -2.378 4.258 260 1HG2 THR 39 HG22 THR 39 74.836 -1.467 4.880 261 2HG2 THR 39 HG21 THR 39 75.990 -0.742 3.761 262 3HG2 THR 39 HG23 THR 39 74.406 -1.259 3.182 263 H LYS 40 HN LYS 40 76.012 -6.011 4.544 264 HA LYS 40 HA LYS 40 76.452 -7.137 1.912 265 1HB LYS 40 HB2 LYS 40 76.733 -8.315 4.693 266 2HB LYS 40 HB1 LYS 40 77.230 -9.145 3.218 267 1HG LYS 40 HG2 LYS 40 78.733 -7.234 2.683 268 2HG LYS 40 HG1 LYS 40 78.281 -6.479 4.212 269 1HD LYS 40 HD2 LYS 40 80.167 -7.594 4.922 270 2HD LYS 40 HD1 LYS 40 78.989 -8.886 5.156 271 1HE LYS 40 HE2 LYS 40 80.281 -10.134 3.786 272 2HE LYS 40 HE1 LYS 40 79.690 -9.116 2.472 273 1HZ LYS 40 HZ2 LYS 40 81.751 -7.789 3.874 274 2HZ LYS 40 HZ1 LYS 40 82.291 -9.328 3.398 275 3HZ LYS 40 HZ3 LYS 40 81.696 -8.245 2.238 276 H ALA 41 HN ALA 41 74.003 -7.511 4.399 277 HA ALA 41 HA ALA 41 72.829 -9.906 3.229 278 1HB ALA 41 HB3 ALA 41 72.572 -9.294 5.639 279 2HB ALA 41 HB2 ALA 41 71.596 -7.909 5.151 280 3HB ALA 41 HB1 ALA 41 71.024 -9.547 4.834 281 H LEU 42 HN LEU 42 72.804 -6.606 2.420 282 HA LEU 42 HA LEU 42 70.142 -6.285 1.438 283 1HB LEU 42 HB2 LEU 42 72.728 -4.915 1.125 284 2HB LEU 42 HB1 LEU 42 71.665 -4.768 -0.275 285 HG LEU 42 HG LEU 42 69.897 -3.847 1.052 286 1HD1 LEU 42 HD11 LEU 42 71.637 -4.528 3.443 287 2HD1 LEU 42 HD13 LEU 42 70.132 -3.614 3.523 288 3HD1 LEU 42 HD12 LEU 42 70.113 -5.301 3.010 289 1HD2 LEU 42 HD23 LEU 42 71.952 -2.405 0.502 290 2HD2 LEU 42 HD22 LEU 42 70.878 -1.807 1.767 291 3HD2 LEU 42 HD21 LEU 42 72.395 -2.597 2.198 292 H GLY 43 HN GLY 43 73.066 -7.636 -0.069 293 1HA GLY 43 HA2 GLY 43 72.169 -7.904 -2.714 294 2HA GLY 43 HA1 GLY 43 73.219 -9.084 -1.923 295 H THR 44 HN THR 44 71.307 -9.738 0.162 296 HA THR 44 HA THR 44 69.769 -11.747 -1.273 297 HB THR 44 HB THR 44 69.849 -10.929 1.645 298 HG1 THR 44 HG1 THR 44 70.998 -12.879 1.802 299 1HG2 THR 44 HG21 THR 44 67.797 -12.312 0.341 300 2HG2 THR 44 HG23 THR 44 68.787 -13.574 1.072 301 3HG2 THR 44 HG22 THR 44 68.109 -12.294 2.077 302 H VAL 45 HN VAL 45 69.069 -8.649 0.313 303 HA VAL 45 HA VAL 45 66.218 -8.860 0.240 304 HB VAL 45 HB VAL 45 67.872 -6.333 -0.039 305 1HG1 VAL 45 HG13 VAL 45 65.104 -6.763 -0.111 306 2HG1 VAL 45 HG12 VAL 45 65.427 -6.224 1.537 307 3HG1 VAL 45 HG11 VAL 45 65.917 -5.223 0.170 308 1HG2 VAL 45 HG23 VAL 45 68.128 -8.141 1.986 309 2HG2 VAL 45 HG22 VAL 45 68.341 -6.404 2.197 310 3HG2 VAL 45 HG21 VAL 45 66.798 -7.157 2.596 311 H MET 46 HN MET 46 68.590 -7.943 -2.200 312 HA MET 46 HA MET 46 66.835 -6.740 -4.082 313 1HB MET 46 HB2 MET 46 69.388 -8.325 -4.419 314 2HB MET 46 HB1 MET 46 68.550 -7.584 -5.783 315 1HG MET 46 HG2 MET 46 68.978 -5.813 -3.449 316 2HG MET 46 HG1 MET 46 70.440 -6.300 -4.306 317 1HE MET 46 HE1 MET 46 68.638 -3.494 -3.863 318 2HE MET 46 HE3 MET 46 70.315 -3.449 -4.425 319 3HE MET 46 HE2 MET 46 69.054 -2.622 -5.335 320 H ARG 47 HN ARG 47 68.171 -10.026 -4.519 321 HA ARG 47 HA ARG 47 66.349 -10.960 -6.385 322 1HB ARG 47 HB2 ARG 47 68.052 -12.216 -4.330 323 2HB ARG 47 HB1 ARG 47 66.683 -13.203 -4.844 324 1HG ARG 47 HG2 ARG 47 68.181 -11.842 -7.014 325 2HG ARG 47 HG1 ARG 47 69.042 -13.135 -6.178 326 1HD ARG 47 HD2 ARG 47 67.219 -14.694 -6.628 327 2HD ARG 47 HD1 ARG 47 66.264 -13.406 -7.366 328 HE ARG 47 HE ARG 47 68.526 -13.358 -8.891 329 1HH1 ARG 47 HH11 ARG 47 66.143 -15.668 -8.010 330 2HH1 ARG 47 HH12 ARG 47 66.569 -16.790 -9.258 331 1HH2 ARG 47 HH21 ARG 47 69.238 -14.900 -10.411 332 2HH2 ARG 47 HH22 ARG 47 68.322 -16.357 -10.617 333 H MET 48 HN MET 48 65.759 -10.348 -3.003 334 HA MET 48 HA MET 48 63.378 -11.966 -2.772 335 1HB MET 48 HB2 MET 48 64.345 -9.558 -1.208 336 2HB MET 48 HB1 MET 48 62.920 -10.501 -0.773 337 1HG MET 48 HG2 MET 48 65.448 -12.004 -1.264 338 2HG MET 48 HG1 MET 48 65.346 -11.062 0.223 339 1HE MET 48 HE2 MET 48 64.328 -11.563 2.135 340 2HE MET 48 HE1 MET 48 62.688 -11.210 1.598 341 3HE MET 48 HE3 MET 48 63.031 -12.705 2.479 342 H LEU 49 HN LEU 49 63.775 -8.418 -3.130 343 HA LEU 49 HA LEU 49 60.963 -8.010 -3.661 344 1HB LEU 49 HB2 LEU 49 63.100 -6.101 -4.580 345 2HB LEU 49 HB1 LEU 49 61.499 -5.744 -3.936 346 HG LEU 49 HG LEU 49 63.933 -6.702 -2.421 347 1HD1 LEU 49 HD12 LEU 49 62.609 -4.171 -2.854 348 2HD1 LEU 49 HD11 LEU 49 62.589 -4.583 -1.140 349 3HD1 LEU 49 HD13 LEU 49 64.121 -4.500 -2.009 350 1HD2 LEU 49 HD21 LEU 49 61.878 -7.964 -1.726 351 2HD2 LEU 49 HD23 LEU 49 62.516 -6.925 -0.453 352 3HD2 LEU 49 HD22 LEU 49 61.100 -6.421 -1.376 353 H GLY 50 HN GLY 50 63.697 -7.350 -5.876 354 1HA GLY 50 HA2 GLY 50 63.180 -9.020 -7.985 355 2HA GLY 50 HA1 GLY 50 61.949 -7.773 -8.186 356 H GLN 51 HN GLN 51 65.449 -8.308 -8.002 357 HA GLN 51 HA GLN 51 65.895 -6.208 -9.979 358 1HB GLN 51 HB2 GLN 51 66.252 -5.683 -7.101 359 2HB GLN 51 HB1 GLN 51 67.664 -5.293 -8.083 360 1HG GLN 51 HG2 GLN 51 65.728 -4.242 -9.649 361 2HG GLN 51 HG1 GLN 51 64.967 -4.048 -8.070 362 1HE2 GLN 51 HE22 GLN 51 67.186 -1.500 -7.012 363 2HE2 GLN 51 HE21 GLN 51 65.910 -2.531 -6.578 364 H ASN 52 HN ASN 52 67.826 -6.586 -11.054 365 HA ASN 52 HA ASN 52 69.862 -8.319 -9.783 366 1HB ASN 52 HB2 ASN 52 68.906 -9.045 -12.542 367 2HB ASN 52 HB1 ASN 52 69.777 -10.037 -11.372 368 1HD2 ASN 52 HD22 ASN 52 65.734 -10.005 -11.336 369 2HD2 ASN 52 HD21 ASN 52 66.626 -9.166 -12.512 370 HA PRO 53 HA PRO 53 71.417 -4.966 -12.623 371 1HB PRO 53 HB2 PRO 53 72.607 -3.446 -10.666 372 2HB PRO 53 HB1 PRO 53 70.937 -3.208 -11.211 373 1HG PRO 53 HG2 PRO 53 71.929 -4.444 -8.683 374 2HG PRO 53 HG1 PRO 53 70.389 -3.628 -9.004 375 1HD PRO 53 HD2 PRO 53 70.781 -6.427 -8.863 376 2HD PRO 53 HD1 PRO 53 69.343 -5.606 -9.506 377 H THR 54 HN THR 54 73.902 -4.107 -12.434 378 HA THR 54 HA THR 54 75.527 -6.519 -12.413 379 HB THR 54 HB THR 54 75.868 -4.557 -13.973 380 HG1 THR 54 HG1 THR 54 77.892 -5.618 -12.340 381 1HG2 THR 54 HG21 THR 54 75.767 -3.070 -11.666 382 2HG2 THR 54 HG23 THR 54 77.502 -3.142 -11.976 383 3HG2 THR 54 HG22 THR 54 76.413 -2.495 -13.203 384 H LYS 55 HN LYS 55 77.149 -7.072 -10.922 385 HA LYS 55 HA LYS 55 76.733 -6.547 -8.199 386 1HB LYS 55 HB2 LYS 55 78.164 -8.382 -9.096 387 2HB LYS 55 HB1 LYS 55 79.395 -7.187 -9.506 388 1HG LYS 55 HG2 LYS 55 78.442 -6.971 -6.736 389 2HG LYS 55 HG1 LYS 55 79.221 -8.514 -7.091 390 1HD LYS 55 HD2 LYS 55 80.997 -6.925 -8.290 391 2HD LYS 55 HD1 LYS 55 80.371 -5.755 -7.127 392 1HE LYS 55 HE2 LYS 55 80.932 -8.423 -5.995 393 2HE LYS 55 HE1 LYS 55 82.356 -7.562 -6.578 394 1HZ LYS 55 HZ2 LYS 55 81.240 -5.589 -5.309 395 2HZ LYS 55 HZ1 LYS 55 80.493 -6.839 -4.434 396 3HZ LYS 55 HZ3 LYS 55 82.184 -6.729 -4.475 397 H GLU 56 HN GLU 56 78.442 -4.627 -10.572 398 HA GLU 56 HA GLU 56 79.997 -3.029 -8.782 399 1HB GLU 56 HB2 GLU 56 80.005 -3.161 -11.403 400 2HB GLU 56 HB1 GLU 56 78.787 -1.890 -11.287 401 1HG GLU 56 HG2 GLU 56 81.197 -1.523 -9.596 402 2HG GLU 56 HG1 GLU 56 81.452 -1.388 -11.337 403 H GLU 57 HN GLU 57 76.953 -2.085 -10.427 404 HA GLU 57 HA GLU 57 76.403 0.225 -8.971 405 1HB GLU 57 HB2 GLU 57 74.592 -1.869 -10.163 406 2HB GLU 57 HB1 GLU 57 73.923 -0.476 -9.313 407 1HG GLU 57 HG2 GLU 57 74.961 1.062 -10.831 408 2HG GLU 57 HG1 GLU 57 75.942 -0.214 -11.552 409 H LEU 58 HN LEU 58 76.267 -3.073 -7.872 410 HA LEU 58 HA LEU 58 74.518 -2.674 -5.622 411 1HB LEU 58 HB2 LEU 58 75.488 -4.881 -6.722 412 2HB LEU 58 HB1 LEU 58 76.763 -4.659 -5.524 413 HG LEU 58 HG LEU 58 73.969 -4.361 -4.551 414 1HD1 LEU 58 HD13 LEU 58 74.573 -6.561 -6.149 415 2HD1 LEU 58 HD12 LEU 58 74.838 -7.150 -4.509 416 3HD1 LEU 58 HD11 LEU 58 73.274 -6.473 -4.959 417 1HD2 LEU 58 HD21 LEU 58 76.206 -4.235 -3.238 418 2HD2 LEU 58 HD23 LEU 58 74.903 -5.203 -2.547 419 3HD2 LEU 58 HD22 LEU 58 76.232 -5.992 -3.396 420 H ASP 59 HN ASP 59 78.091 -3.026 -5.659 421 HA ASP 59 HA ASP 59 78.540 -2.232 -2.998 422 1HB ASP 59 HB2 ASP 59 80.213 -3.087 -4.804 423 2HB ASP 59 HB1 ASP 59 80.399 -1.381 -5.212 424 H ALA 60 HN ALA 60 78.524 -0.157 -5.917 425 HA ALA 60 HA ALA 60 78.972 2.311 -4.610 426 1HB ALA 60 HB1 ALA 60 77.644 1.486 -7.161 427 2HB ALA 60 HB3 ALA 60 77.404 3.141 -6.601 428 3HB ALA 60 HB2 ALA 60 79.033 2.543 -6.914 429 H ILE 61 HN ILE 61 75.999 0.451 -5.047 430 HA ILE 61 HA ILE 61 74.151 2.420 -4.146 431 HB ILE 61 HB ILE 61 74.167 -0.587 -4.223 432 1HG1 ILE 61 HG12 ILE 61 72.063 1.223 -5.353 433 2HG1 ILE 61 HG11 ILE 61 73.640 1.160 -6.142 434 1HG2 ILE 61 HG22 ILE 61 72.513 1.088 -2.473 435 2HG2 ILE 61 HG21 ILE 61 71.566 0.073 -3.560 436 3HG2 ILE 61 HG23 ILE 61 72.740 -0.660 -2.468 437 1HD1 ILE 61 HD12 ILE 61 72.766 -1.514 -5.507 438 2HD1 ILE 61 HD11 ILE 61 71.511 -0.681 -6.423 439 3HD1 ILE 61 HD13 ILE 61 73.140 -0.820 -7.085 440 H ILE 62 HN ILE 62 76.058 0.006 -2.352 441 HA ILE 62 HA ILE 62 74.947 0.565 0.221 442 HB ILE 62 HB ILE 62 77.653 -0.496 -0.627 443 1HG1 ILE 62 HG12 ILE 62 75.453 -1.979 0.798 444 2HG1 ILE 62 HG11 ILE 62 75.386 -1.759 -0.951 445 1HG2 ILE 62 HG23 ILE 62 76.499 0.057 2.095 446 2HG2 ILE 62 HG22 ILE 62 77.600 -1.301 1.865 447 3HG2 ILE 62 HG21 ILE 62 78.138 0.341 1.506 448 1HD1 ILE 62 HD11 ILE 62 77.800 -2.665 -0.976 449 2HD1 ILE 62 HD13 ILE 62 77.482 -3.205 0.672 450 3HD1 ILE 62 HD12 ILE 62 76.511 -3.826 -0.663 451 H GLU 63 HN GLU 63 77.953 1.789 -1.297 452 HA GLU 63 HA GLU 63 78.525 3.644 0.826 453 1HB GLU 63 HB2 GLU 63 80.086 4.672 -0.819 454 2HB GLU 63 HB1 GLU 63 80.268 2.919 -0.732 455 1HG GLU 63 HG2 GLU 63 79.022 2.600 -2.755 456 2HG GLU 63 HG1 GLU 63 78.502 4.285 -2.774 457 H GLU 64 HN GLU 64 76.158 3.678 -1.621 458 HA GLU 64 HA GLU 64 75.979 6.649 -1.591 459 1HB GLU 64 HB2 GLU 64 75.186 4.526 -3.458 460 2HB GLU 64 HB1 GLU 64 73.927 5.736 -3.202 461 1HG GLU 64 HG2 GLU 64 75.678 7.513 -3.613 462 2HG GLU 64 HG1 GLU 64 76.778 6.223 -4.100 463 H VAL 65 HN VAL 65 74.609 3.879 -0.122 464 HA VAL 65 HA VAL 65 72.080 5.288 0.527 465 HB VAL 65 HB VAL 65 73.029 2.490 1.222 466 1HG1 VAL 65 HG13 VAL 65 71.007 4.052 2.394 467 2HG1 VAL 65 HG12 VAL 65 70.167 2.969 1.282 468 3HG1 VAL 65 HG11 VAL 65 71.209 2.305 2.540 469 1HG2 VAL 65 HG22 VAL 65 72.380 3.351 -1.246 470 2HG2 VAL 65 HG21 VAL 65 71.954 1.740 -0.670 471 3HG2 VAL 65 HG23 VAL 65 70.758 3.036 -0.629 472 H ASP 66 HN ASP 66 75.132 4.342 1.960 473 HA ASP 66 HA ASP 66 74.220 4.999 4.684 474 1HB ASP 66 HB2 ASP 66 76.482 3.624 3.482 475 2HB ASP 66 HB1 ASP 66 77.020 4.802 4.679 476 H GLU 67 HN GLU 67 73.639 7.253 3.740 477 HA GLU 67 HA GLU 67 75.721 9.099 3.052 478 1HB GLU 67 HB2 GLU 67 72.867 9.305 3.910 479 2HB GLU 67 HB1 GLU 67 73.861 10.757 4.031 480 1HG GLU 67 HG2 GLU 67 73.532 9.067 1.534 481 2HG GLU 67 HG1 GLU 67 72.739 10.615 1.829 482 H ASP 68 HN ASP 68 74.965 7.607 6.002 483 HA ASP 68 HA ASP 68 76.185 9.822 7.580 484 1HB ASP 68 HB2 ASP 68 75.489 8.237 9.526 485 2HB ASP 68 HB1 ASP 68 74.222 9.119 8.674 486 H GLY 69 HN GLY 69 76.677 6.502 6.540 487 1HA GLY 69 HA2 GLY 69 78.709 5.300 6.469 488 2HA GLY 69 HA1 GLY 69 79.511 6.690 7.203 489 H SER 70 HN SER 70 76.662 5.186 8.611 490 HA SER 70 HA SER 70 78.035 4.820 11.140 491 1HB SER 70 HB2 SER 70 75.926 3.942 11.936 492 2HB SER 70 HB1 SER 70 75.575 5.316 10.892 493 HG SER 70 HG SER 70 75.545 3.491 9.206 494 H GLY 71 HN GLY 71 77.270 2.763 8.394 495 1HA GLY 71 HA2 GLY 71 78.640 0.785 7.956 496 2HA GLY 71 HA1 GLY 71 78.852 0.597 9.698 497 H THR 72 HN THR 72 75.676 1.437 8.724 498 HA THR 72 HA THR 72 74.758 -1.335 8.405 499 HB THR 72 HB THR 72 73.073 -0.577 10.435 500 HG1 THR 72 HG1 THR 72 74.792 -0.003 12.064 501 1HG2 THR 72 HG21 THR 72 75.564 -2.249 10.311 502 2HG2 THR 72 HG23 THR 72 74.720 -2.055 11.848 503 3HG2 THR 72 HG22 THR 72 73.884 -2.763 10.466 504 H ILE 73 HN ILE 73 72.557 -1.410 7.652 505 HA ILE 73 HA ILE 73 71.637 1.198 6.563 506 HB ILE 73 HB ILE 73 70.827 -1.651 5.915 507 1HG1 ILE 73 HG12 ILE 73 73.120 -0.797 5.187 508 2HG1 ILE 73 HG11 ILE 73 72.064 -1.341 3.883 509 1HG2 ILE 73 HG21 ILE 73 69.749 1.018 5.104 510 2HG2 ILE 73 HG23 ILE 73 69.829 -0.250 3.880 511 3HG2 ILE 73 HG22 ILE 73 68.898 -0.507 5.356 512 1HD1 ILE 73 HD12 ILE 73 71.554 1.442 4.441 513 2HD1 ILE 73 HD11 ILE 73 73.279 1.200 4.158 514 3HD1 ILE 73 HD13 ILE 73 72.107 0.701 2.938 515 H ASP 74 HN ASP 74 69.585 2.017 7.033 516 HA ASP 74 HA ASP 74 68.056 0.547 9.146 517 1HB ASP 74 HB2 ASP 74 68.529 3.525 8.822 518 2HB ASP 74 HB1 ASP 74 67.346 2.839 9.937 519 H PHE 75 HN PHE 75 65.713 0.882 9.058 520 HA PHE 75 HA PHE 75 64.499 0.523 6.605 521 1HB PHE 75 HB2 PHE 75 63.447 0.498 8.966 522 2HB PHE 75 HB1 PHE 75 63.164 2.220 8.713 523 HD1 PHE 75 HD2 PHE 75 62.985 -0.762 6.445 524 HD2 PHE 75 HD1 PHE 75 60.925 2.588 8.170 525 HE1 PHE 75 HE2 PHE 75 60.982 -1.292 5.081 526 HE2 PHE 75 HE1 PHE 75 58.922 2.060 6.806 527 HZ PHE 75 HZ PHE 75 58.950 0.119 5.261 528 H GLU 76 HN GLU 76 65.157 3.660 8.168 529 HA GLU 76 HA GLU 76 63.929 5.323 6.228 530 1HB GLU 76 HB2 GLU 76 66.475 5.892 7.779 531 2HB GLU 76 HB1 GLU 76 65.408 7.092 7.049 532 1HG GLU 76 HG2 GLU 76 63.659 6.635 8.580 533 2HG GLU 76 HG1 GLU 76 64.391 5.112 9.088 534 H GLU 77 HN GLU 77 67.283 4.092 6.366 535 HA GLU 77 HA GLU 77 68.055 5.312 3.864 536 1HB GLU 77 HB2 GLU 77 69.259 2.930 5.306 537 2HB GLU 77 HB1 GLU 77 70.033 3.855 4.018 538 1HG GLU 77 HG2 GLU 77 70.020 5.866 5.394 539 2HG GLU 77 HG1 GLU 77 69.126 5.028 6.663 540 H PHE 78 HN PHE 78 66.209 2.519 4.650 541 HA PHE 78 HA PHE 78 66.810 0.902 2.356 542 1HB PHE 78 HB2 PHE 78 65.192 0.658 4.607 543 2HB PHE 78 HB1 PHE 78 64.039 0.722 3.272 544 HD1 PHE 78 HD2 PHE 78 64.170 -0.915 1.417 545 HD2 PHE 78 HD1 PHE 78 66.708 -1.195 4.867 546 HE1 PHE 78 HE2 PHE 78 64.726 -3.257 0.815 547 HE2 PHE 78 HE1 PHE 78 67.268 -3.537 4.268 548 HZ PHE 78 HZ PHE 78 66.277 -4.567 2.241 549 H LEU 79 HN LEU 79 63.956 2.979 2.972 550 HA LEU 79 HA LEU 79 62.731 2.900 0.500 551 1HB LEU 79 HB2 LEU 79 63.213 5.438 2.095 552 2HB LEU 79 HB1 LEU 79 61.924 5.174 0.919 553 HG LEU 79 HG LEU 79 62.309 3.668 3.522 554 1HD1 LEU 79 HD13 LEU 79 61.368 6.041 3.576 555 2HD1 LEU 79 HD12 LEU 79 60.001 5.418 2.651 556 3HD1 LEU 79 HD11 LEU 79 60.333 4.789 4.266 557 1HD2 LEU 79 HD22 LEU 79 60.230 3.385 1.330 558 2HD2 LEU 79 HD21 LEU 79 61.449 2.189 1.769 559 3HD2 LEU 79 HD23 LEU 79 60.153 2.582 2.899 560 H VAL 80 HN VAL 80 65.758 4.488 1.309 561 HA VAL 80 HA VAL 80 65.978 6.019 -1.131 562 HB VAL 80 HB VAL 80 68.227 4.989 0.621 563 1HG1 VAL 80 HG11 VAL 80 67.929 7.150 -1.453 564 2HG1 VAL 80 HG13 VAL 80 69.151 7.291 -0.189 565 3HG1 VAL 80 HG12 VAL 80 69.189 5.925 -1.305 566 1HG2 VAL 80 HG23 VAL 80 66.227 6.310 1.710 567 2HG2 VAL 80 HG22 VAL 80 67.886 6.778 2.088 568 3HG2 VAL 80 HG21 VAL 80 66.957 7.700 0.904 569 H MET 81 HN MET 81 67.353 2.883 -0.097 570 HA MET 81 HA MET 81 68.808 2.265 -2.417 571 1HB MET 81 HB2 MET 81 68.463 0.934 -0.169 572 2HB MET 81 HB1 MET 81 67.183 0.126 -1.074 573 1HG MET 81 HG2 MET 81 68.662 -0.822 -2.594 574 2HG MET 81 HG1 MET 81 69.875 0.436 -2.354 575 1HE MET 81 HE2 MET 81 70.328 1.048 -0.006 576 2HE MET 81 HE1 MET 81 70.286 -0.017 1.397 577 3HE MET 81 HE3 MET 81 71.731 0.054 0.379 578 H MET 82 HN MET 82 65.328 1.997 -1.827 579 HA MET 82 HA MET 82 64.724 0.548 -4.242 580 1HB MET 82 HB2 MET 82 62.871 2.477 -2.827 581 2HB MET 82 HB1 MET 82 62.434 1.059 -3.780 582 1HG MET 82 HG2 MET 82 63.807 1.108 -1.081 583 2HG MET 82 HG1 MET 82 62.222 0.440 -1.464 584 1HE MET 82 HE3 MET 82 62.137 -0.793 -3.740 585 2HE MET 82 HE2 MET 82 63.089 -2.240 -4.065 586 3HE MET 82 HE1 MET 82 61.981 -2.211 -2.694 587 H VAL 83 HN VAL 83 64.319 4.026 -3.458 588 HA VAL 83 HA VAL 83 63.775 4.729 -6.213 589 HB VAL 83 HB VAL 83 64.818 6.705 -4.203 590 1HG1 VAL 83 HG12 VAL 83 63.374 6.717 -6.714 591 2HG1 VAL 83 HG11 VAL 83 62.439 7.535 -5.462 592 3HG1 VAL 83 HG13 VAL 83 64.076 8.073 -5.832 593 1HG2 VAL 83 HG23 VAL 83 62.309 5.073 -4.047 594 2HG2 VAL 83 HG22 VAL 83 63.338 5.669 -2.743 595 3HG2 VAL 83 HG21 VAL 83 62.237 6.769 -3.571 596 H ARG 84 HN ARG 84 66.601 3.759 -4.733 597 HA ARG 84 HA ARG 84 68.503 5.592 -5.869 598 1HB ARG 84 HB2 ARG 84 68.630 2.816 -4.738 599 2HB ARG 84 HB1 ARG 84 70.021 3.443 -5.624 600 1HG ARG 84 HG2 ARG 84 69.161 5.521 -3.898 601 2HG ARG 84 HG1 ARG 84 69.191 4.044 -2.935 602 1HD ARG 84 HD2 ARG 84 71.465 3.776 -3.159 603 2HD ARG 84 HD1 ARG 84 71.500 4.518 -4.759 604 HE ARG 84 HE ARG 84 72.025 5.894 -2.320 605 1HH1 ARG 84 HH11 ARG 84 71.130 6.241 -5.569 606 2HH1 ARG 84 HH12 ARG 84 70.751 7.927 -5.453 607 1HH2 ARG 84 HH21 ARG 84 71.138 8.047 -2.009 608 2HH2 ARG 84 HH22 ARG 84 70.755 8.950 -3.436 609 H GLN 85 HN GLN 85 67.463 2.330 -6.931 610 HA GLN 85 HA GLN 85 68.713 2.828 -9.567 611 1HB GLN 85 HB2 GLN 85 67.172 0.371 -8.706 612 2HB GLN 85 HB1 GLN 85 68.362 0.505 -10.002 613 1HG GLN 85 HG2 GLN 85 69.465 1.372 -7.452 614 2HG GLN 85 HG1 GLN 85 68.870 -0.286 -7.368 615 1HE2 GLN 85 HE22 GLN 85 72.163 0.568 -9.611 616 2HE2 GLN 85 HE21 GLN 85 71.284 1.808 -8.856 617 H MET 86 HN MET 86 65.574 2.763 -8.047 618 HA MET 86 HA MET 86 64.003 2.457 -10.440 619 1HB MET 86 HB2 MET 86 63.528 3.223 -7.623 620 2HB MET 86 HB1 MET 86 62.393 3.914 -8.783 621 1HG MET 86 HG2 MET 86 62.686 1.257 -9.602 622 2HG MET 86 HG1 MET 86 62.615 1.169 -7.842 623 1HE MET 86 HE2 MET 86 61.145 1.857 -6.440 624 2HE MET 86 HE1 MET 86 59.485 2.402 -6.663 625 3HE MET 86 HE3 MET 86 59.902 0.700 -6.906 626 H LYS 87 HN LYS 87 65.633 5.173 -8.952 627 HA LYS 87 HA LYS 87 64.764 6.848 -11.257 628 1HB LYS 87 HB2 LYS 87 64.389 7.396 -8.348 629 2HB LYS 87 HB1 LYS 87 64.860 8.752 -9.374 630 1HG LYS 87 HG2 LYS 87 62.554 6.909 -10.041 631 2HG LYS 87 HG1 LYS 87 62.354 8.405 -9.130 632 1HD LYS 87 HD2 LYS 87 62.251 9.521 -11.081 633 2HD LYS 87 HD1 LYS 87 63.931 9.070 -11.379 634 1HE LYS 87 HE2 LYS 87 63.253 7.777 -13.089 635 2HE LYS 87 HE1 LYS 87 62.349 6.781 -11.948 636 1HZ LYS 87 HZ1 LYS 87 61.236 9.332 -12.913 637 2HZ LYS 87 HZ3 LYS 87 61.095 7.929 -13.855 638 3HZ LYS 87 HZ2 LYS 87 60.422 7.975 -12.296 639 H GLU 88 HN GLU 88 67.197 5.569 -11.198 640 HA GLU 88 HA GLU 88 69.312 7.014 -9.926 641 1HB GLU 88 HB2 GLU 88 69.317 4.701 -11.175 642 2HB GLU 88 HB1 GLU 88 69.687 5.682 -12.594 643 1HG GLU 88 HG2 GLU 88 71.765 6.272 -11.816 644 2HG GLU 88 HG1 GLU 88 71.252 6.255 -10.129 645 H ASP 89 HN ASP 89 68.446 7.068 -13.407 646 HA ASP 89 HA ASP 89 68.830 10.006 -13.406 647 1HB ASP 89 HB2 ASP 89 70.822 8.169 -14.336 648 2HB ASP 89 HB1 ASP 89 70.152 9.014 -15.731 649 H ALA 90 HN ALA 90 66.396 8.849 -13.661 650 HA ALA 90 HA ALA 90 65.652 9.567 -16.398 651 1HB ALA 90 HB3 ALA 90 65.805 6.740 -15.502 652 2HB ALA 90 HB2 ALA 90 64.335 7.198 -16.361 653 3HB ALA 90 HB1 ALA 90 65.908 7.412 -17.129 No H/Q in entry = 653 Start of MODEL 2 1 1H ALA 1 HT3 ALA 1 62.496 14.079 12.744 2 2H ALA 1 HT2 ALA 1 62.861 12.470 12.338 3 3H ALA 1 HT1 ALA 1 63.222 13.060 13.890 4 HA ALA 1 HA ALA 1 65.066 14.174 13.222 5 1HB ALA 1 HB2 ALA 1 64.637 11.917 11.255 6 2HB ALA 1 HB1 ALA 1 66.142 12.837 11.315 7 3HB ALA 1 HB3 ALA 1 65.617 11.910 12.721 8 H SER 2 HN SER 2 66.323 15.047 11.169 9 HA SER 2 HA SER 2 64.428 16.841 9.787 10 1HB SER 2 HB2 SER 2 66.474 17.992 9.008 11 2HB SER 2 HB1 SER 2 66.489 17.785 10.756 12 HG SER 2 HG SER 2 68.236 16.898 8.944 13 H MET 3 HN MET 3 63.444 15.287 8.351 14 HA MET 3 HA MET 3 64.625 13.427 6.682 15 1HB MET 3 HB2 MET 3 62.846 14.127 4.966 16 2HB MET 3 HB1 MET 3 62.259 13.660 6.562 17 1HG MET 3 HG2 MET 3 62.109 16.009 7.231 18 2HG MET 3 HG1 MET 3 62.783 16.515 5.682 19 1HE MET 3 HE3 MET 3 60.037 14.971 7.667 20 2HE MET 3 HE2 MET 3 58.681 14.705 6.574 21 3HE MET 3 HE1 MET 3 60.082 13.640 6.503 22 H THR 4 HN THR 4 66.467 13.681 5.506 23 HA THR 4 HA THR 4 67.346 16.257 4.516 24 HB THR 4 HB THR 4 69.177 15.013 3.494 25 HG1 THR 4 HG1 THR 4 68.716 13.124 2.751 26 1HG2 THR 4 HG23 THR 4 69.091 15.328 6.003 27 2HG2 THR 4 HG22 THR 4 68.476 13.679 6.118 28 3HG2 THR 4 HG21 THR 4 70.087 13.975 5.464 29 H ASP 5 HN ASP 5 68.106 16.097 1.982 30 HA ASP 5 HA ASP 5 65.642 16.253 0.490 31 1HB ASP 5 HB2 ASP 5 68.487 16.122 -0.558 32 2HB ASP 5 HB1 ASP 5 67.073 16.708 -1.437 33 H GLN 6 HN GLN 6 68.244 13.838 0.685 34 HA GLN 6 HA GLN 6 67.422 12.147 -1.426 35 1HB GLN 6 HB2 GLN 6 69.054 11.888 1.007 36 2HB GLN 6 HB1 GLN 6 68.283 10.381 0.511 37 1HG GLN 6 HG2 GLN 6 69.403 10.316 -1.522 38 2HG GLN 6 HG1 GLN 6 69.626 12.063 -1.574 39 1HE2 GLN 6 HE22 GLN 6 72.166 9.913 0.859 40 2HE2 GLN 6 HE21 GLN 6 70.571 9.371 0.652 41 H GLN 7 HN GLN 7 66.422 12.104 2.005 42 HA GLN 7 HA GLN 7 64.462 9.998 1.544 43 1HB GLN 7 HB2 GLN 7 65.316 11.701 3.839 44 2HB GLN 7 HB1 GLN 7 63.689 11.021 3.905 45 1HG GLN 7 HG2 GLN 7 64.469 8.933 4.282 46 2HG GLN 7 HG1 GLN 7 65.685 9.075 3.013 47 1HE2 GLN 7 HE22 GLN 7 68.120 9.148 5.573 48 2HE2 GLN 7 HE21 GLN 7 67.528 8.352 4.195 49 H ALA 8 HN ALA 8 64.532 13.391 1.076 50 HA ALA 8 HA ALA 8 61.724 13.933 1.510 51 1HB ALA 8 HB1 ALA 8 63.780 15.573 1.254 52 2HB ALA 8 HB3 ALA 8 63.364 15.493 -0.459 53 3HB ALA 8 HB2 ALA 8 62.178 16.072 0.711 54 H GLU 9 HN GLU 9 63.605 13.615 -1.529 55 HA GLU 9 HA GLU 9 61.212 13.391 -3.143 56 1HB GLU 9 HB2 GLU 9 64.132 13.294 -3.572 57 2HB GLU 9 HB1 GLU 9 63.195 12.297 -4.688 58 1HG GLU 9 HG2 GLU 9 63.444 14.550 -5.611 59 2HG GLU 9 HG1 GLU 9 61.755 14.264 -5.191 60 H ALA 10 HN ALA 10 63.390 11.087 -1.592 61 HA ALA 10 HA ALA 10 62.532 8.727 -2.922 62 1HB ALA 10 HB3 ALA 10 63.686 9.297 -0.206 63 2HB ALA 10 HB2 ALA 10 63.110 7.673 -0.584 64 3HB ALA 10 HB1 ALA 10 64.396 8.399 -1.549 65 H ARG 11 HN ARG 11 61.498 9.741 0.358 66 HA ARG 11 HA ARG 11 59.253 8.013 0.478 67 1HB ARG 11 HB2 ARG 11 60.421 9.888 2.166 68 2HB ARG 11 HB1 ARG 11 58.826 10.567 1.842 69 1HG ARG 11 HG2 ARG 11 58.028 9.139 3.396 70 2HG ARG 11 HG1 ARG 11 58.338 7.847 2.236 71 1HD ARG 11 HD2 ARG 11 60.335 7.231 3.246 72 2HD ARG 11 HD1 ARG 11 60.610 8.837 3.920 73 HE ARG 11 HE ARG 11 58.527 8.176 5.409 74 1HH1 ARG 11 HH11 ARG 11 58.008 5.512 5.176 75 2HH1 ARG 11 HH12 ARG 11 59.224 4.661 6.068 76 1HH2 ARG 11 HH21 ARG 11 61.414 7.347 6.161 77 2HH2 ARG 11 HH22 ARG 11 61.153 5.700 6.626 78 H ALA 12 HN ALA 12 59.638 11.195 -0.975 79 HA ALA 12 HA ALA 12 56.905 11.879 -1.311 80 1HB ALA 12 HB3 ALA 12 59.452 12.770 -2.335 81 2HB ALA 12 HB2 ALA 12 58.273 12.710 -3.645 82 3HB ALA 12 HB1 ALA 12 57.941 13.670 -2.201 83 H PHE 13 HN PHE 13 59.041 9.851 -3.305 84 HA PHE 13 HA PHE 13 56.933 9.349 -5.273 85 1HB PHE 13 HB2 PHE 13 59.150 9.283 -6.141 86 2HB PHE 13 HB1 PHE 13 59.710 8.238 -4.837 87 HD1 PHE 13 HD1 PHE 13 57.354 8.345 -7.741 88 HD2 PHE 13 HD2 PHE 13 59.661 5.895 -5.071 89 HE1 PHE 13 HE1 PHE 13 56.805 6.345 -9.100 90 HE2 PHE 13 HE2 PHE 13 59.112 3.895 -6.431 91 HZ PHE 13 HZ PHE 13 57.683 4.120 -8.444 92 H LEU 14 HN LEU 14 58.084 7.882 -2.322 93 HA LEU 14 HA LEU 14 56.581 5.389 -2.856 94 1HB LEU 14 HB2 LEU 14 58.061 6.166 -0.332 95 2HB LEU 14 HB1 LEU 14 57.587 4.545 -0.843 96 HG LEU 14 HG LEU 14 59.408 6.247 -2.542 97 1HD1 LEU 14 HD11 LEU 14 59.998 5.273 0.064 98 2HD1 LEU 14 HD13 LEU 14 60.849 4.237 -1.082 99 3HD1 LEU 14 HD12 LEU 14 61.115 5.981 -1.102 100 1HD2 LEU 14 HD23 LEU 14 58.607 3.355 -2.346 101 2HD2 LEU 14 HD22 LEU 14 58.681 4.392 -3.770 102 3HD2 LEU 14 HD21 LEU 14 60.169 3.780 -3.047 103 H SER 15 HN SER 15 54.533 5.083 -2.121 104 HA SER 15 HA SER 15 53.366 7.184 -0.370 105 1HB SER 15 HB2 SER 15 52.391 5.596 -2.572 106 2HB SER 15 HB1 SER 15 51.382 5.321 -1.154 107 HG SER 15 HG SER 15 51.019 7.509 -1.015 108 H GLU 16 HN GLU 16 51.691 6.277 1.256 109 HA GLU 16 HA GLU 16 53.001 4.650 3.162 110 1HB GLU 16 HB2 GLU 16 50.099 5.363 2.734 111 2HB GLU 16 HB1 GLU 16 50.599 4.315 4.063 112 1HG GLU 16 HG2 GLU 16 51.521 6.031 5.230 113 2HG GLU 16 HG1 GLU 16 52.225 6.755 3.783 114 H GLU 17 HN GLU 17 50.985 3.780 0.424 115 HA GLU 17 HA GLU 17 50.493 1.052 1.228 116 1HB GLU 17 HB2 GLU 17 49.538 2.636 -0.766 117 2HB GLU 17 HB1 GLU 17 50.684 1.644 -1.669 118 1HG GLU 17 HG2 GLU 17 48.584 0.510 0.198 119 2HG GLU 17 HG1 GLU 17 48.368 0.662 -1.546 120 H MET 18 HN MET 18 53.020 2.605 -0.737 121 HA MET 18 HA MET 18 54.319 0.122 -1.450 122 1HB MET 18 HB2 MET 18 55.025 3.029 -1.587 123 2HB MET 18 HB1 MET 18 56.314 1.842 -1.773 124 1HG MET 18 HG2 MET 18 55.106 0.764 -3.604 125 2HG MET 18 HG1 MET 18 53.747 1.867 -3.388 126 1HE MET 18 HE1 MET 18 54.007 1.901 -5.806 127 2HE MET 18 HE3 MET 18 54.938 3.122 -6.685 128 3HE MET 18 HE2 MET 18 55.653 1.551 -6.328 129 H ILE 19 HN ILE 19 55.268 2.686 0.875 130 HA ILE 19 HA ILE 19 57.452 1.367 2.040 131 HB ILE 19 HB ILE 19 55.400 3.229 3.257 132 1HG1 ILE 19 HG12 ILE 19 58.119 4.184 3.088 133 2HG1 ILE 19 HG11 ILE 19 57.602 3.580 1.514 134 1HG2 ILE 19 HG21 ILE 19 56.395 1.835 5.036 135 2HG2 ILE 19 HG23 ILE 19 58.009 2.243 4.453 136 3HG2 ILE 19 HG22 ILE 19 56.975 3.496 5.139 137 1HD1 ILE 19 HD12 ILE 19 55.979 5.507 3.197 138 2HD1 ILE 19 HD11 ILE 19 57.055 6.006 1.890 139 3HD1 ILE 19 HD13 ILE 19 55.644 5.007 1.540 140 H ALA 20 HN ALA 20 54.086 0.590 2.272 141 HA ALA 20 HA ALA 20 54.156 -0.839 4.768 142 1HB ALA 20 HB2 ALA 20 52.085 -0.083 3.478 143 2HB ALA 20 HB1 ALA 20 52.352 -1.470 2.422 144 3HB ALA 20 HB3 ALA 20 52.024 -1.717 4.137 145 H GLU 21 HN GLU 21 54.602 -1.875 1.384 146 HA GLU 21 HA GLU 21 55.081 -4.648 2.153 147 1HB GLU 21 HB2 GLU 21 55.456 -3.125 -0.436 148 2HB GLU 21 HB1 GLU 21 55.827 -4.839 -0.269 149 1HG GLU 21 HG2 GLU 21 53.628 -4.974 -0.989 150 2HG GLU 21 HG1 GLU 21 53.379 -4.924 0.757 151 H PHE 22 HN PHE 22 57.100 -1.867 1.237 152 HA PHE 22 HA PHE 22 59.599 -3.141 1.057 153 1HB PHE 22 HB2 PHE 22 58.714 -0.401 1.884 154 2HB PHE 22 HB1 PHE 22 60.398 -0.856 2.148 155 HD1 PHE 22 HD1 PHE 22 61.414 -2.250 0.027 156 HD2 PHE 22 HD2 PHE 22 58.260 0.664 -0.130 157 HE1 PHE 22 HE1 PHE 22 61.895 -1.856 -2.373 158 HE2 PHE 22 HE2 PHE 22 58.743 1.058 -2.531 159 HZ PHE 22 HZ PHE 22 60.560 -0.204 -3.652 160 H LYS 23 HN LYS 23 57.944 -1.920 3.975 161 HA LYS 23 HA LYS 23 59.986 -2.553 5.842 162 1HB LYS 23 HB2 LYS 23 57.977 -1.211 6.398 163 2HB LYS 23 HB1 LYS 23 56.982 -2.659 6.252 164 1HG LYS 23 HG2 LYS 23 57.433 -2.445 8.580 165 2HG LYS 23 HG1 LYS 23 58.521 -3.711 8.010 166 1HD LYS 23 HD2 LYS 23 60.051 -2.424 9.154 167 2HD LYS 23 HD1 LYS 23 60.123 -1.608 7.591 168 1HE LYS 23 HE2 LYS 23 59.138 0.271 8.394 169 2HE LYS 23 HE1 LYS 23 57.959 -0.642 9.337 170 1HZ LYS 23 HZ1 LYS 23 60.324 -1.144 10.582 171 2HZ LYS 23 HZ3 LYS 23 60.461 0.489 10.152 172 3HZ LYS 23 HZ2 LYS 23 59.148 -0.031 11.097 173 H ALA 24 HN ALA 24 57.528 -4.577 4.328 174 HA ALA 24 HA ALA 24 57.596 -6.839 5.983 175 1HB ALA 24 HB2 ALA 24 56.348 -6.326 3.686 176 2HB ALA 24 HB1 ALA 24 57.691 -7.257 3.023 177 3HB ALA 24 HB3 ALA 24 56.621 -7.985 4.224 178 H ALA 25 HN ALA 25 59.848 -5.968 3.355 179 HA ALA 25 HA ALA 25 61.496 -8.329 3.783 180 1HB ALA 25 HB2 ALA 25 62.073 -5.751 2.291 181 2HB ALA 25 HB1 ALA 25 63.063 -7.208 2.220 182 3HB ALA 25 HB3 ALA 25 61.417 -7.230 1.586 183 H PHE 26 HN PHE 26 62.028 -4.836 4.385 184 HA PHE 26 HA PHE 26 64.475 -4.896 5.654 185 1HB PHE 26 HB2 PHE 26 63.002 -2.873 5.276 186 2HB PHE 26 HB1 PHE 26 62.110 -3.337 6.727 187 HD1 PHE 26 HD2 PHE 26 63.153 -3.242 8.938 188 HD2 PHE 26 HD1 PHE 26 65.288 -2.066 5.407 189 HE1 PHE 26 HE2 PHE 26 64.880 -2.154 10.348 190 HE2 PHE 26 HE1 PHE 26 67.018 -0.976 6.814 191 HZ PHE 26 HZ PHE 26 66.812 -1.021 9.286 192 H ASP 27 HN ASP 27 61.461 -4.957 7.593 193 HA ASP 27 HA ASP 27 62.641 -5.817 9.992 194 1HB ASP 27 HB2 ASP 27 60.190 -5.099 9.493 195 2HB ASP 27 HB1 ASP 27 59.922 -6.810 9.155 196 H MET 28 HN MET 28 61.809 -7.679 7.138 197 HA MET 28 HA MET 28 61.825 -10.290 8.243 198 1HB MET 28 HB2 MET 28 61.738 -9.165 5.669 199 2HB MET 28 HB1 MET 28 63.160 -10.208 5.667 200 1HG MET 28 HG2 MET 28 61.116 -11.620 7.036 201 2HG MET 28 HG1 MET 28 60.386 -10.963 5.571 202 1HE MET 28 HE3 MET 28 62.685 -10.591 3.731 203 2HE MET 28 HE2 MET 28 62.897 -12.088 2.825 204 3HE MET 28 HE1 MET 28 61.276 -11.452 3.096 205 H PHE 29 HN PHE 29 64.522 -8.269 7.089 206 HA PHE 29 HA PHE 29 66.418 -10.301 8.168 207 1HB PHE 29 HB2 PHE 29 67.223 -7.873 6.582 208 2HB PHE 29 HB1 PHE 29 68.043 -9.430 6.714 209 HD1 PHE 29 HD1 PHE 29 65.803 -11.315 6.305 210 HD2 PHE 29 HD2 PHE 29 66.752 -7.652 4.276 211 HE1 PHE 29 HE1 PHE 29 64.606 -12.124 4.287 212 HE2 PHE 29 HE2 PHE 29 65.553 -8.459 2.258 213 HZ PHE 29 HZ PHE 29 64.482 -10.695 2.266 214 H ASP 30 HN ASP 30 65.016 -8.776 10.058 215 HA ASP 30 HA ASP 30 67.104 -6.850 10.999 216 1HB ASP 30 HB2 ASP 30 65.379 -5.665 12.187 217 2HB ASP 30 HB1 ASP 30 64.786 -5.925 10.546 218 H ALA 31 HN ALA 31 67.728 -9.415 11.525 219 HA ALA 31 HA ALA 31 66.566 -10.356 14.029 220 1HB ALA 31 HB1 ALA 31 67.773 -11.703 12.111 221 2HB ALA 31 HB3 ALA 31 69.233 -11.283 13.007 222 3HB ALA 31 HB2 ALA 31 67.955 -12.214 13.789 223 H ASP 32 HN ASP 32 68.518 -7.784 13.408 224 HA ASP 32 HA ASP 32 70.544 -8.099 15.451 225 1HB ASP 32 HB2 ASP 32 69.841 -6.155 13.473 226 2HB ASP 32 HB1 ASP 32 69.956 -5.337 15.031 227 H GLY 33 HN GLY 33 67.216 -7.028 15.427 228 1HA GLY 33 HA2 GLY 33 65.864 -6.980 17.425 229 2HA GLY 33 HA1 GLY 33 67.334 -6.806 18.383 230 H GLY 34 HN GLY 34 68.417 -4.683 16.643 231 1HA GLY 34 HA2 GLY 34 66.982 -2.441 17.883 232 2HA GLY 34 HA1 GLY 34 68.480 -2.328 16.957 233 H GLY 35 HN GLY 35 66.455 -4.197 15.141 234 1HA GLY 35 HA2 GLY 35 64.983 -3.751 13.350 235 2HA GLY 35 HA1 GLY 35 64.777 -2.116 13.982 236 H ASP 36 HN ASP 36 67.436 -4.065 12.565 237 HA ASP 36 HA ASP 36 67.818 -2.054 10.467 238 1HB ASP 36 HB2 ASP 36 70.048 -1.397 11.076 239 2HB ASP 36 HB1 ASP 36 69.042 -1.158 12.506 240 H ILE 37 HN ILE 37 68.939 -2.931 8.709 241 HA ILE 37 HA ILE 37 69.694 -5.802 9.012 242 HB ILE 37 HB ILE 37 68.068 -5.820 7.371 243 1HG1 ILE 37 HG12 ILE 37 70.613 -5.175 5.855 244 2HG1 ILE 37 HG11 ILE 37 70.007 -6.775 6.285 245 1HG2 ILE 37 HG22 ILE 37 69.111 -3.142 6.410 246 2HG2 ILE 37 HG21 ILE 37 67.716 -3.994 5.747 247 3HG2 ILE 37 HG23 ILE 37 67.676 -3.395 7.406 248 1HD1 ILE 37 HD11 ILE 37 68.515 -4.824 4.515 249 2HD1 ILE 37 HD13 ILE 37 69.545 -6.117 3.901 250 3HD1 ILE 37 HD12 ILE 37 68.097 -6.507 4.828 251 H SER 38 HN SER 38 71.489 -6.461 7.449 252 HA SER 38 HA SER 38 73.688 -4.476 7.717 253 1HB SER 38 HB2 SER 38 73.931 -7.366 6.860 254 2HB SER 38 HB1 SER 38 75.197 -6.316 7.489 255 HG SER 38 HG SER 38 74.363 -6.483 9.480 256 H THR 39 HN THR 39 74.872 -3.767 5.907 257 HA THR 39 HA THR 39 73.510 -3.523 3.428 258 HB THR 39 HB THR 39 75.828 -2.921 2.534 259 HG1 THR 39 HG1 THR 39 77.278 -2.605 4.461 260 1HG2 THR 39 HG23 THR 39 74.771 -1.616 5.054 261 2HG2 THR 39 HG22 THR 39 75.996 -0.893 4.010 262 3HG2 THR 39 HG21 THR 39 74.372 -1.189 3.389 263 H LYS 40 HN LYS 40 75.601 -6.040 4.673 264 HA LYS 40 HA LYS 40 76.134 -7.294 2.127 265 1HB LYS 40 HB2 LYS 40 77.646 -8.160 3.601 266 2HB LYS 40 HB1 LYS 40 76.604 -7.858 4.987 267 1HG LYS 40 HG2 LYS 40 75.302 -9.860 4.490 268 2HG LYS 40 HG1 LYS 40 76.247 -10.146 3.028 269 1HD LYS 40 HD2 LYS 40 78.053 -9.819 5.230 270 2HD LYS 40 HD1 LYS 40 76.831 -11.008 5.679 271 1HE LYS 40 HE2 LYS 40 77.678 -11.426 2.945 272 2HE LYS 40 HE1 LYS 40 79.071 -11.431 4.026 273 1HZ LYS 40 HZ2 LYS 40 76.773 -12.868 5.017 274 2HZ LYS 40 HZ1 LYS 40 77.456 -13.534 3.612 275 3HZ LYS 40 HZ3 LYS 40 78.410 -13.318 4.998 276 H ALA 41 HN ALA 41 73.588 -7.530 4.555 277 HA ALA 41 HA ALA 41 72.304 -9.829 3.295 278 1HB ALA 41 HB2 ALA 41 72.135 -8.855 5.780 279 2HB ALA 41 HB1 ALA 41 70.788 -7.961 5.074 280 3HB ALA 41 HB3 ALA 41 70.789 -9.725 5.043 281 H LEU 42 HN LEU 42 72.483 -6.506 2.617 282 HA LEU 42 HA LEU 42 69.874 -5.953 1.635 283 1HB LEU 42 HB2 LEU 42 72.458 -4.709 1.566 284 2HB LEU 42 HB1 LEU 42 71.764 -4.667 -0.056 285 HG LEU 42 HG LEU 42 69.757 -3.609 0.753 286 1HD1 LEU 42 HD12 LEU 42 70.854 -4.461 3.393 287 2HD1 LEU 42 HD11 LEU 42 69.916 -2.968 3.344 288 3HD1 LEU 42 HD13 LEU 42 69.190 -4.483 2.810 289 1HD2 LEU 42 HD23 LEU 42 72.323 -2.436 1.823 290 2HD2 LEU 42 HD22 LEU 42 71.447 -1.989 0.361 291 3HD2 LEU 42 HD21 LEU 42 70.789 -1.574 1.944 292 H GLY 43 HN GLY 43 72.720 -7.340 -0.026 293 1HA GLY 43 HA2 GLY 43 71.760 -7.540 -2.625 294 2HA GLY 43 HA1 GLY 43 72.743 -8.804 -1.880 295 H THR 44 HN THR 44 70.740 -9.334 0.213 296 HA THR 44 HA THR 44 69.141 -11.273 -1.249 297 HB THR 44 HB THR 44 69.231 -10.422 1.653 298 HG1 THR 44 HG1 THR 44 70.931 -11.670 1.239 299 1HG2 THR 44 HG23 THR 44 67.248 -12.036 0.188 300 2HG2 THR 44 HG22 THR 44 67.913 -12.823 1.619 301 3HG2 THR 44 HG21 THR 44 67.120 -11.255 1.764 302 H VAL 45 HN VAL 45 68.453 -8.222 0.478 303 HA VAL 45 HA VAL 45 65.619 -8.311 0.159 304 HB VAL 45 HB VAL 45 67.247 -5.767 0.121 305 1HG1 VAL 45 HG11 VAL 45 64.497 -6.595 1.061 306 2HG1 VAL 45 HG13 VAL 45 65.256 -5.103 1.615 307 3HG1 VAL 45 HG12 VAL 45 64.922 -5.336 -0.100 308 1HG2 VAL 45 HG21 VAL 45 67.406 -7.859 2.048 309 2HG2 VAL 45 HG23 VAL 45 68.093 -6.238 2.156 310 3HG2 VAL 45 HG22 VAL 45 66.472 -6.552 2.773 311 H MET 46 HN MET 46 68.052 -6.574 -1.815 312 HA MET 46 HA MET 46 66.394 -5.540 -3.792 313 1HB MET 46 HB2 MET 46 69.112 -6.828 -4.184 314 2HB MET 46 HB1 MET 46 68.326 -5.750 -5.336 315 1HG MET 46 HG2 MET 46 68.158 -4.245 -3.084 316 2HG MET 46 HG1 MET 46 69.655 -5.120 -2.762 317 1HE MET 46 HE1 MET 46 68.473 -2.311 -3.308 318 2HE MET 46 HE3 MET 46 70.108 -1.651 -3.469 319 3HE MET 46 HE2 MET 46 68.953 -1.485 -4.789 320 H ARG 47 HN ARG 47 68.122 -8.653 -4.218 321 HA ARG 47 HA ARG 47 66.654 -9.543 -6.443 322 1HB ARG 47 HB2 ARG 47 68.318 -10.807 -4.357 323 2HB ARG 47 HB1 ARG 47 67.148 -11.889 -5.114 324 1HG ARG 47 HG2 ARG 47 68.053 -10.706 -7.332 325 2HG ARG 47 HG1 ARG 47 69.483 -10.477 -6.325 326 1HD ARG 47 HD2 ARG 47 68.108 -13.151 -6.673 327 2HD ARG 47 HD1 ARG 47 69.471 -12.628 -7.660 328 HE ARG 47 HE ARG 47 69.621 -13.027 -4.700 329 1HH1 ARG 47 HH21 ARG 47 71.937 -11.739 -4.854 330 2HH1 ARG 47 HH22 ARG 47 73.090 -12.740 -5.672 331 1HH2 ARG 47 HH11 ARG 47 70.692 -14.824 -7.062 332 2HH2 ARG 47 HH12 ARG 47 72.385 -14.487 -6.922 333 H MET 48 HN MET 48 65.755 -9.500 -3.058 334 HA MET 48 HA MET 48 63.585 -11.366 -3.197 335 1HB MET 48 HB2 MET 48 64.740 -9.699 -1.237 336 2HB MET 48 HB1 MET 48 63.051 -9.202 -1.352 337 1HG MET 48 HG2 MET 48 63.406 -12.114 -1.412 338 2HG MET 48 HG1 MET 48 63.976 -11.374 0.083 339 1HE MET 48 HE3 MET 48 62.872 -9.346 0.898 340 2HE MET 48 HE2 MET 48 61.521 -8.674 -0.011 341 3HE MET 48 HE1 MET 48 61.224 -9.467 1.533 342 H LEU 49 HN LEU 49 63.762 -7.856 -3.743 343 HA LEU 49 HA LEU 49 60.909 -7.575 -4.186 344 1HB LEU 49 HB2 LEU 49 62.880 -5.654 -5.368 345 2HB LEU 49 HB1 LEU 49 61.351 -5.329 -4.550 346 HG LEU 49 HG LEU 49 64.012 -6.058 -3.319 347 1HD1 LEU 49 HD13 LEU 49 63.141 -3.643 -3.829 348 2HD1 LEU 49 HD12 LEU 49 62.095 -3.915 -2.436 349 3HD1 LEU 49 HD11 LEU 49 63.846 -3.982 -2.250 350 1HD2 LEU 49 HD23 LEU 49 61.293 -6.706 -2.391 351 2HD2 LEU 49 HD22 LEU 49 62.846 -7.334 -1.839 352 3HD2 LEU 49 HD21 LEU 49 62.243 -5.799 -1.213 353 H GLY 50 HN GLY 50 63.558 -8.650 -6.119 354 1HA GLY 50 HA2 GLY 50 62.884 -9.894 -8.185 355 2HA GLY 50 HA1 GLY 50 61.779 -8.560 -8.524 356 H GLN 51 HN GLN 51 64.855 -7.724 -7.199 357 HA GLN 51 HA GLN 51 65.599 -6.528 -9.816 358 1HB GLN 51 HB2 GLN 51 66.379 -6.002 -6.957 359 2HB GLN 51 HB1 GLN 51 67.412 -5.442 -8.273 360 1HG GLN 51 HG2 GLN 51 64.511 -4.879 -8.563 361 2HG GLN 51 HG1 GLN 51 65.356 -3.979 -7.302 362 1HE2 GLN 51 HE22 GLN 51 66.925 -1.832 -9.600 363 2HE2 GLN 51 HE21 GLN 51 66.490 -2.152 -7.990 364 H ASN 52 HN ASN 52 67.634 -6.972 -10.779 365 HA ASN 52 HA ASN 52 69.356 -9.000 -9.472 366 1HB ASN 52 HB2 ASN 52 69.389 -10.118 -11.875 367 2HB ASN 52 HB1 ASN 52 68.140 -10.546 -10.705 368 1HD2 ASN 52 HD22 ASN 52 66.847 -7.709 -13.364 369 2HD2 ASN 52 HD21 ASN 52 68.273 -7.450 -12.479 370 HA PRO 53 HA PRO 53 71.538 -5.715 -11.971 371 1HB PRO 53 HB2 PRO 53 72.653 -4.382 -9.843 372 2HB PRO 53 HB1 PRO 53 71.086 -3.954 -10.550 373 1HG PRO 53 HG2 PRO 53 71.664 -5.353 -7.981 374 2HG PRO 53 HG1 PRO 53 70.260 -4.372 -8.433 375 1HD PRO 53 HD2 PRO 53 70.352 -7.201 -8.357 376 2HD PRO 53 HD1 PRO 53 69.082 -6.216 -9.111 377 H THR 54 HN THR 54 74.078 -5.076 -11.287 378 HA THR 54 HA THR 54 75.376 -7.725 -11.056 379 HB THR 54 HB THR 54 77.455 -6.383 -11.640 380 HG1 THR 54 HG1 THR 54 77.150 -4.333 -11.302 381 1HG2 THR 54 HG21 THR 54 75.016 -6.611 -13.368 382 2HG2 THR 54 HG23 THR 54 76.441 -5.784 -14.002 383 3HG2 THR 54 HG22 THR 54 76.554 -7.467 -13.487 384 H LYS 55 HN LYS 55 76.765 -8.270 -9.360 385 HA LYS 55 HA LYS 55 76.342 -7.357 -6.786 386 1HB LYS 55 HB2 LYS 55 77.771 -9.330 -7.479 387 2HB LYS 55 HB1 LYS 55 79.076 -8.186 -7.796 388 1HG LYS 55 HG2 LYS 55 79.585 -8.088 -5.607 389 2HG LYS 55 HG1 LYS 55 77.923 -7.653 -5.205 390 1HD LYS 55 HD2 LYS 55 77.464 -10.215 -5.615 391 2HD LYS 55 HD1 LYS 55 79.195 -10.369 -5.313 392 1HE LYS 55 HE2 LYS 55 78.986 -9.862 -3.100 393 2HE LYS 55 HE1 LYS 55 77.741 -8.648 -3.397 394 1HZ LYS 55 HZ3 LYS 55 76.925 -11.354 -3.968 395 2HZ LYS 55 HZ2 LYS 55 77.294 -11.076 -2.333 396 3HZ LYS 55 HZ1 LYS 55 76.114 -10.134 -3.113 397 H GLU 56 HN GLU 56 78.478 -5.933 -9.217 398 HA GLU 56 HA GLU 56 79.814 -4.088 -7.484 399 1HB GLU 56 HB2 GLU 56 79.473 -4.464 -10.383 400 2HB GLU 56 HB1 GLU 56 79.678 -2.779 -9.904 401 1HG GLU 56 HG2 GLU 56 81.503 -5.027 -9.010 402 2HG GLU 56 HG1 GLU 56 81.848 -3.958 -10.369 403 H GLU 57 HN GLU 57 76.904 -3.693 -9.530 404 HA GLU 57 HA GLU 57 76.318 -1.015 -8.960 405 1HB GLU 57 HB2 GLU 57 74.994 -3.110 -10.213 406 2HB GLU 57 HB1 GLU 57 73.930 -2.705 -8.865 407 1HG GLU 57 HG2 GLU 57 73.515 -0.572 -9.650 408 2HG GLU 57 HG1 GLU 57 75.075 -0.456 -10.465 409 H LEU 58 HN LEU 58 75.835 -3.866 -6.936 410 HA LEU 58 HA LEU 58 74.219 -2.536 -4.945 411 1HB LEU 58 HB2 LEU 58 75.673 -5.121 -5.179 412 2HB LEU 58 HB1 LEU 58 75.364 -4.542 -3.541 413 HG LEU 58 HG LEU 58 72.992 -4.128 -5.080 414 1HD1 LEU 58 HD12 LEU 58 74.369 -6.168 -6.260 415 2HD1 LEU 58 HD11 LEU 58 73.460 -7.050 -5.032 416 3HD1 LEU 58 HD13 LEU 58 72.609 -6.065 -6.222 417 1HD2 LEU 58 HD22 LEU 58 73.246 -4.514 -2.607 418 2HD2 LEU 58 HD21 LEU 58 72.014 -5.530 -3.354 419 3HD2 LEU 58 HD23 LEU 58 73.591 -6.208 -2.953 420 H ASP 59 HN ASP 59 77.694 -3.440 -4.964 421 HA ASP 59 HA ASP 59 78.461 -2.281 -2.543 422 1HB ASP 59 HB2 ASP 59 79.842 -3.465 -4.504 423 2HB ASP 59 HB1 ASP 59 80.228 -1.791 -4.905 424 H ALA 60 HN ALA 60 77.932 -0.659 -5.663 425 HA ALA 60 HA ALA 60 78.789 1.941 -4.729 426 1HB ALA 60 HB2 ALA 60 77.504 0.823 -7.143 427 2HB ALA 60 HB1 ALA 60 77.065 2.492 -6.782 428 3HB ALA 60 HB3 ALA 60 78.759 2.054 -7.005 429 H ILE 61 HN ILE 61 75.636 0.319 -4.975 430 HA ILE 61 HA ILE 61 73.995 2.510 -4.231 431 HB ILE 61 HB ILE 61 73.736 -0.479 -3.890 432 1HG1 ILE 61 HG12 ILE 61 71.939 1.371 -5.442 433 2HG1 ILE 61 HG11 ILE 61 73.496 0.886 -6.115 434 1HG2 ILE 61 HG23 ILE 61 72.266 1.598 -2.478 435 2HG2 ILE 61 HG22 ILE 61 71.199 0.639 -3.505 436 3HG2 ILE 61 HG21 ILE 61 72.191 -0.152 -2.281 437 1HD1 ILE 61 HD12 ILE 61 71.333 -1.014 -5.155 438 2HD1 ILE 61 HD11 ILE 61 71.688 -0.640 -6.842 439 3HD1 ILE 61 HD13 ILE 61 72.883 -1.484 -5.855 440 H ILE 62 HN ILE 62 75.124 -0.124 -2.076 441 HA ILE 62 HA ILE 62 74.351 1.016 0.364 442 HB ILE 62 HB ILE 62 76.714 -0.733 -0.346 443 1HG1 ILE 62 HG12 ILE 62 74.523 -1.687 1.387 444 2HG1 ILE 62 HG11 ILE 62 74.029 -1.276 -0.255 445 1HG2 ILE 62 HG21 ILE 62 77.236 0.544 1.704 446 2HG2 ILE 62 HG23 ILE 62 75.701 0.036 2.409 447 3HG2 ILE 62 HG22 ILE 62 76.954 -1.159 2.069 448 1HD1 ILE 62 HD12 ILE 62 76.485 -2.951 0.218 449 2HD1 ILE 62 HD11 ILE 62 74.885 -3.693 0.214 450 3HD1 ILE 62 HD13 ILE 62 75.471 -2.856 -1.223 451 H GLU 63 HN GLU 63 77.245 1.677 -1.574 452 HA GLU 63 HA GLU 63 78.575 3.284 0.404 453 1HB GLU 63 HB2 GLU 63 78.825 2.863 -2.541 454 2HB GLU 63 HB1 GLU 63 79.584 4.299 -1.852 455 1HG GLU 63 HG2 GLU 63 80.843 2.936 -0.275 456 2HG GLU 63 HG1 GLU 63 80.013 1.479 -0.826 457 H GLU 64 HN GLU 64 76.159 4.024 -2.070 458 HA GLU 64 HA GLU 64 76.309 6.905 -1.381 459 1HB GLU 64 HB2 GLU 64 74.657 5.432 -3.458 460 2HB GLU 64 HB1 GLU 64 74.693 7.184 -3.247 461 1HG GLU 64 HG2 GLU 64 77.262 5.672 -3.641 462 2HG GLU 64 HG1 GLU 64 76.263 6.086 -5.034 463 H VAL 65 HN VAL 65 74.777 4.219 -0.178 464 HA VAL 65 HA VAL 65 72.223 5.620 0.393 465 HB VAL 65 HB VAL 65 73.172 2.786 0.880 466 1HG1 VAL 65 HG12 VAL 65 71.186 4.303 2.301 467 2HG1 VAL 65 HG11 VAL 65 70.381 3.060 1.341 468 3HG1 VAL 65 HG13 VAL 65 71.627 2.608 2.506 469 1HG2 VAL 65 HG21 VAL 65 72.396 3.653 -1.433 470 2HG2 VAL 65 HG23 VAL 65 71.620 2.196 -0.812 471 3HG2 VAL 65 HG22 VAL 65 70.790 3.749 -0.709 472 H ASP 66 HN ASP 66 74.843 3.968 2.196 473 HA ASP 66 HA ASP 66 73.904 4.968 4.753 474 1HB ASP 66 HB2 ASP 66 75.707 3.018 3.929 475 2HB ASP 66 HB1 ASP 66 76.738 4.256 4.648 476 H GLU 67 HN GLU 67 73.749 7.275 4.266 477 HA GLU 67 HA GLU 67 76.028 8.827 3.445 478 1HB GLU 67 HB2 GLU 67 74.715 10.756 4.053 479 2HB GLU 67 HB1 GLU 67 73.612 9.572 3.353 480 1HG GLU 67 HG2 GLU 67 73.525 8.824 5.962 481 2HG GLU 67 HG1 GLU 67 73.802 10.556 6.140 482 H ASP 68 HN ASP 68 75.299 7.251 6.370 483 HA ASP 68 HA ASP 68 77.006 9.111 7.950 484 1HB ASP 68 HB2 ASP 68 76.269 7.492 9.846 485 2HB ASP 68 HB1 ASP 68 75.064 8.598 9.183 486 H GLY 69 HN GLY 69 77.060 6.051 6.354 487 1HA GLY 69 HA2 GLY 69 78.718 4.395 6.219 488 2HA GLY 69 HA1 GLY 69 79.848 5.684 6.639 489 H SER 70 HN SER 70 77.192 4.658 8.718 490 HA SER 70 HA SER 70 78.999 4.286 10.953 491 1HB SER 70 HB2 SER 70 76.817 3.266 11.974 492 2HB SER 70 HB1 SER 70 76.861 4.988 11.605 493 HG SER 70 HG SER 70 75.310 3.031 10.564 494 H GLY 71 HN GLY 71 77.756 2.225 8.459 495 1HA GLY 71 HA2 GLY 71 78.915 0.095 8.038 496 2HA GLY 71 HA1 GLY 71 79.111 -0.085 9.783 497 H THR 72 HN THR 72 76.056 1.142 9.019 498 HA THR 72 HA THR 72 74.790 -1.490 8.632 499 HB THR 72 HB THR 72 73.257 -0.804 10.690 500 HG1 THR 72 HG1 THR 72 74.915 1.074 10.830 501 1HG2 THR 72 HG21 THR 72 74.786 -2.847 10.326 502 2HG2 THR 72 HG23 THR 72 75.977 -1.964 11.281 503 3HG2 THR 72 HG22 THR 72 74.424 -2.397 11.992 504 H ILE 73 HN ILE 73 72.780 -1.278 7.645 505 HA ILE 73 HA ILE 73 71.970 1.511 6.985 506 HB ILE 73 HB ILE 73 71.490 -1.160 5.668 507 1HG1 ILE 73 HG12 ILE 73 72.827 1.456 4.984 508 2HG1 ILE 73 HG11 ILE 73 73.501 -0.170 4.928 509 1HG2 ILE 73 HG22 ILE 73 70.085 1.476 5.124 510 2HG2 ILE 73 HG21 ILE 73 70.029 0.076 4.055 511 3HG2 ILE 73 HG23 ILE 73 69.328 -0.019 5.670 512 1HD1 ILE 73 HD13 ILE 73 71.313 0.864 3.107 513 2HD1 ILE 73 HD12 ILE 73 73.012 0.714 2.659 514 3HD1 ILE 73 HD11 ILE 73 72.065 -0.728 3.025 515 H ASP 74 HN ASP 74 69.667 2.044 7.075 516 HA ASP 74 HA ASP 74 68.087 0.267 8.877 517 1HB ASP 74 HB2 ASP 74 69.190 2.441 9.908 518 2HB ASP 74 HB1 ASP 74 67.834 3.242 9.116 519 H PHE 75 HN PHE 75 65.689 1.042 8.844 520 HA PHE 75 HA PHE 75 64.647 0.799 6.247 521 1HB PHE 75 HB2 PHE 75 63.458 0.636 8.552 522 2HB PHE 75 HB1 PHE 75 63.214 2.375 8.381 523 HD1 PHE 75 HD2 PHE 75 63.214 -0.350 5.818 524 HD2 PHE 75 HD1 PHE 75 60.952 2.691 7.837 525 HE1 PHE 75 HE2 PHE 75 61.297 -0.768 4.299 526 HE2 PHE 75 HE1 PHE 75 59.036 2.275 6.320 527 HZ PHE 75 HZ PHE 75 59.209 0.546 4.550 528 H GLU 76 HN GLU 76 65.242 3.781 8.118 529 HA GLU 76 HA GLU 76 64.187 5.651 6.304 530 1HB GLU 76 HB2 GLU 76 66.451 5.738 8.277 531 2HB GLU 76 HB1 GLU 76 66.185 7.112 7.203 532 1HG GLU 76 HG2 GLU 76 63.734 7.029 7.956 533 2HG GLU 76 HG1 GLU 76 64.278 5.946 9.237 534 H GLU 77 HN GLU 77 67.602 4.545 6.441 535 HA GLU 77 HA GLU 77 68.250 5.818 3.921 536 1HB GLU 77 HB2 GLU 77 69.755 3.559 5.265 537 2HB GLU 77 HB1 GLU 77 70.399 4.756 4.141 538 1HG GLU 77 HG2 GLU 77 70.173 6.519 5.727 539 2HG GLU 77 HG1 GLU 77 69.152 5.540 6.781 540 H PHE 78 HN PHE 78 66.567 2.976 4.691 541 HA PHE 78 HA PHE 78 67.413 1.284 2.525 542 1HB PHE 78 HB2 PHE 78 65.666 1.050 4.679 543 2HB PHE 78 HB1 PHE 78 64.605 0.980 3.272 544 HD1 PHE 78 HD1 PHE 78 67.631 -0.527 4.828 545 HD2 PHE 78 HD2 PHE 78 64.586 -0.914 1.824 546 HE1 PHE 78 HE1 PHE 78 68.357 -2.858 4.392 547 HE2 PHE 78 HE2 PHE 78 65.312 -3.245 1.388 548 HZ PHE 78 HZ PHE 78 67.197 -4.217 2.671 549 H LEU 79 HN LEU 79 64.351 3.119 2.841 550 HA LEU 79 HA LEU 79 63.433 2.857 0.227 551 1HB LEU 79 HB2 LEU 79 63.296 5.376 1.914 552 2HB LEU 79 HB1 LEU 79 62.246 4.986 0.552 553 HG LEU 79 HG LEU 79 62.500 3.198 2.980 554 1HD1 LEU 79 HD12 LEU 79 60.679 5.543 2.440 555 2HD1 LEU 79 HD11 LEU 79 60.186 4.227 3.507 556 3HD1 LEU 79 HD13 LEU 79 61.612 5.189 3.895 557 1HD2 LEU 79 HD23 LEU 79 61.206 3.015 0.419 558 2HD2 LEU 79 HD22 LEU 79 61.220 1.833 1.728 559 3HD2 LEU 79 HD21 LEU 79 59.974 3.080 1.679 560 H VAL 80 HN VAL 80 66.068 4.859 1.393 561 HA VAL 80 HA VAL 80 66.319 6.589 -0.863 562 HB VAL 80 HB VAL 80 68.449 5.509 1.010 563 1HG1 VAL 80 HG13 VAL 80 68.527 7.353 -1.305 564 2HG1 VAL 80 HG12 VAL 80 69.330 7.943 0.151 565 3HG1 VAL 80 HG11 VAL 80 69.825 6.412 -0.569 566 1HG2 VAL 80 HG21 VAL 80 66.615 7.906 1.034 567 2HG2 VAL 80 HG23 VAL 80 66.913 6.737 2.320 568 3HG2 VAL 80 HG22 VAL 80 68.147 7.928 1.908 569 H MET 81 HN MET 81 68.267 3.666 -0.130 570 HA MET 81 HA MET 81 69.584 3.477 -2.592 571 1HB MET 81 HB2 MET 81 70.160 1.293 -1.984 572 2HB MET 81 HB1 MET 81 69.787 2.021 -0.425 573 1HG MET 81 HG2 MET 81 67.405 1.141 -0.750 574 2HG MET 81 HG1 MET 81 68.056 0.179 -2.078 575 1HE MET 81 HE3 MET 81 68.832 1.532 1.196 576 2HE MET 81 HE2 MET 81 69.002 0.182 2.315 577 3HE MET 81 HE1 MET 81 70.396 0.725 1.384 578 H MET 82 HN MET 82 66.339 2.315 -1.743 579 HA MET 82 HA MET 82 65.760 0.841 -4.076 580 1HB MET 82 HB2 MET 82 64.192 2.273 -2.012 581 2HB MET 82 HB1 MET 82 63.357 2.001 -3.543 582 1HG MET 82 HG2 MET 82 63.084 0.138 -1.861 583 2HG MET 82 HG1 MET 82 63.744 -0.373 -3.415 584 1HE MET 82 HE2 MET 82 64.667 -2.399 -2.854 585 2HE MET 82 HE1 MET 82 66.024 -1.631 -3.672 586 3HE MET 82 HE3 MET 82 66.296 -2.600 -2.218 587 H VAL 83 HN VAL 83 64.416 4.100 -3.563 588 HA VAL 83 HA VAL 83 63.943 4.606 -6.311 589 HB VAL 83 HB VAL 83 64.494 6.640 -4.133 590 1HG1 VAL 83 HG11 VAL 83 63.186 6.770 -6.856 591 2HG1 VAL 83 HG13 VAL 83 62.874 7.979 -5.611 592 3HG1 VAL 83 HG12 VAL 83 64.509 7.757 -6.235 593 1HG2 VAL 83 HG22 VAL 83 62.002 5.135 -4.965 594 2HG2 VAL 83 HG21 VAL 83 62.728 5.223 -3.361 595 3HG2 VAL 83 HG23 VAL 83 61.934 6.639 -4.047 596 H ARG 84 HN ARG 84 66.911 4.525 -4.631 597 HA ARG 84 HA ARG 84 68.369 6.539 -6.050 598 1HB ARG 84 HB2 ARG 84 68.917 4.683 -4.035 599 2HB ARG 84 HB1 ARG 84 69.971 4.207 -5.364 600 1HG ARG 84 HG2 ARG 84 70.819 6.511 -5.534 601 2HG ARG 84 HG1 ARG 84 69.753 7.006 -4.219 602 1HD ARG 84 HD2 ARG 84 71.896 6.611 -3.224 603 2HD ARG 84 HD1 ARG 84 70.887 5.232 -2.791 604 HE ARG 84 HE ARG 84 72.686 4.044 -3.773 605 1HH1 ARG 84 HH11 ARG 84 73.521 6.863 -5.029 606 2HH1 ARG 84 HH12 ARG 84 73.684 6.369 -6.682 607 1HH2 ARG 84 HH21 ARG 84 72.099 3.322 -6.202 608 2HH2 ARG 84 HH22 ARG 84 72.878 4.364 -7.345 609 H GLN 85 HN GLN 85 67.521 3.210 -6.871 610 HA GLN 85 HA GLN 85 69.069 3.545 -9.410 611 1HB GLN 85 HB2 GLN 85 68.837 1.345 -7.530 612 2HB GLN 85 HB1 GLN 85 68.377 0.843 -9.157 613 1HG GLN 85 HG2 GLN 85 70.727 2.542 -9.229 614 2HG GLN 85 HG1 GLN 85 70.990 1.150 -8.177 615 1HE2 GLN 85 HE22 GLN 85 71.365 0.508 -12.032 616 2HE2 GLN 85 HE21 GLN 85 71.649 1.972 -11.220 617 H MET 86 HN MET 86 65.967 2.462 -8.050 618 HA MET 86 HA MET 86 64.670 1.451 -10.265 619 1HB MET 86 HB2 MET 86 62.645 1.979 -9.229 620 2HB MET 86 HB1 MET 86 63.765 2.034 -7.871 621 1HG MET 86 HG2 MET 86 63.965 4.488 -8.146 622 2HG MET 86 HG1 MET 86 62.818 4.424 -9.483 623 1HE MET 86 HE1 MET 86 60.858 2.961 -9.333 624 2HE MET 86 HE3 MET 86 59.686 2.967 -8.007 625 3HE MET 86 HE2 MET 86 59.967 4.432 -8.946 626 H LYS 87 HN LYS 87 65.093 4.931 -9.560 627 HA LYS 87 HA LYS 87 63.694 5.987 -11.750 628 1HB LYS 87 HB2 LYS 87 66.268 6.964 -10.481 629 2HB LYS 87 HB1 LYS 87 65.297 7.912 -11.609 630 1HG LYS 87 HG2 LYS 87 63.899 6.706 -9.264 631 2HG LYS 87 HG1 LYS 87 64.944 8.095 -8.965 632 1HD LYS 87 HD2 LYS 87 63.521 9.532 -9.990 633 2HD LYS 87 HD1 LYS 87 63.211 8.412 -11.317 634 1HE LYS 87 HE2 LYS 87 61.355 7.551 -10.322 635 2HE LYS 87 HE1 LYS 87 62.095 7.566 -8.720 636 1HZ LYS 87 HZ1 LYS 87 61.837 10.180 -9.208 637 2HZ LYS 87 HZ3 LYS 87 60.483 9.580 -10.035 638 3HZ LYS 87 HZ2 LYS 87 60.678 9.252 -8.380 639 H GLU 88 HN GLU 88 67.151 6.439 -12.049 640 HA GLU 88 HA GLU 88 67.682 4.533 -14.097 641 1HB GLU 88 HB2 GLU 88 67.652 6.165 -16.052 642 2HB GLU 88 HB1 GLU 88 66.066 5.657 -15.470 643 1HG GLU 88 HG2 GLU 88 66.232 7.764 -13.932 644 2HG GLU 88 HG1 GLU 88 67.461 8.293 -15.082 645 H ASP 89 HN ASP 89 69.880 4.534 -14.442 646 HA ASP 89 HA ASP 89 71.384 7.039 -13.851 647 1HB ASP 89 HB2 ASP 89 71.272 4.932 -12.068 648 2HB ASP 89 HB1 ASP 89 72.743 4.584 -12.977 649 H ALA 90 HN ALA 90 70.767 6.046 -16.415 650 HA ALA 90 HA ALA 90 72.668 4.300 -17.569 651 1HB ALA 90 HB3 ALA 90 70.882 6.454 -18.554 652 2HB ALA 90 HB2 ALA 90 72.251 6.060 -19.595 653 3HB ALA 90 HB1 ALA 90 71.094 4.807 -19.148 No H/Q in entry = 653 Start of MODEL 3 1 1H ALA 1 HT2 ALA 1 68.202 11.118 11.865 2 2H ALA 1 HT1 ALA 1 68.488 10.638 10.259 3 3H ALA 1 HT3 ALA 1 68.892 9.600 11.537 4 HA ALA 1 HA ALA 1 70.709 10.857 12.188 5 1HB ALA 1 HB3 ALA 1 70.334 10.626 9.232 6 2HB ALA 1 HB2 ALA 1 71.717 11.552 9.815 7 3HB ALA 1 HB1 ALA 1 71.532 9.858 10.273 8 H SER 2 HN SER 2 70.227 12.863 9.355 9 HA SER 2 HA SER 2 69.658 15.197 11.127 10 1HB SER 2 HB2 SER 2 71.268 16.249 9.141 11 2HB SER 2 HB1 SER 2 71.795 15.867 10.778 12 HG SER 2 HG SER 2 73.139 14.768 9.422 13 H MET 3 HN MET 3 67.705 13.886 9.663 14 HA MET 3 HA MET 3 66.156 14.160 7.907 15 1HB MET 3 HB2 MET 3 66.398 16.483 9.440 16 2HB MET 3 HB1 MET 3 66.442 17.056 7.773 17 1HG MET 3 HG2 MET 3 64.387 15.725 7.299 18 2HG MET 3 HG1 MET 3 64.320 15.273 9.002 19 1HE MET 3 HE3 MET 3 64.089 16.392 10.737 20 2HE MET 3 HE2 MET 3 64.169 18.135 10.982 21 3HE MET 3 HE1 MET 3 62.606 17.355 10.759 22 H THR 4 HN THR 4 68.710 13.586 6.885 23 HA THR 4 HA THR 4 69.730 15.437 4.996 24 HB THR 4 HB THR 4 70.784 13.541 3.926 25 HG1 THR 4 HG1 THR 4 68.882 12.005 5.362 26 1HG2 THR 4 HG23 THR 4 70.685 13.839 6.817 27 2HG2 THR 4 HG22 THR 4 71.076 12.183 6.352 28 3HG2 THR 4 HG21 THR 4 72.071 13.520 5.774 29 H ASP 5 HN ASP 5 69.272 15.745 2.766 30 HA ASP 5 HA ASP 5 66.497 15.537 2.028 31 1HB ASP 5 HB2 ASP 5 68.973 16.589 0.851 32 2HB ASP 5 HB1 ASP 5 67.864 15.923 -0.348 33 H GLN 6 HN GLN 6 69.118 13.327 1.854 34 HA GLN 6 HA GLN 6 68.500 11.821 -0.454 35 1HB GLN 6 HB2 GLN 6 69.524 10.878 2.241 36 2HB GLN 6 HB1 GLN 6 69.525 9.897 0.776 37 1HG GLN 6 HG2 GLN 6 70.761 12.621 0.662 38 2HG GLN 6 HG1 GLN 6 71.660 11.324 1.450 39 1HE2 GLN 6 HE22 GLN 6 72.257 9.533 -1.577 40 2HE2 GLN 6 HE21 GLN 6 72.237 9.421 0.117 41 H GLN 7 HN GLN 7 67.216 11.466 2.866 42 HA GLN 7 HA GLN 7 65.365 9.363 2.065 43 1HB GLN 7 HB2 GLN 7 65.110 11.059 4.550 44 2HB GLN 7 HB1 GLN 7 64.625 9.380 4.315 45 1HG GLN 7 HG2 GLN 7 67.100 8.866 3.930 46 2HG GLN 7 HG1 GLN 7 67.429 10.484 4.550 47 1HE2 GLN 7 HE22 GLN 7 67.550 8.203 7.479 48 2HE2 GLN 7 HE21 GLN 7 68.460 8.428 6.063 49 H ALA 8 HN ALA 8 65.337 12.823 2.040 50 HA ALA 8 HA ALA 8 62.468 13.177 2.137 51 1HB ALA 8 HB1 ALA 8 64.640 14.949 0.977 52 2HB ALA 8 HB3 ALA 8 62.964 15.438 1.231 53 3HB ALA 8 HB2 ALA 8 63.985 15.041 2.613 54 H GLU 9 HN GLU 9 64.795 12.553 -0.441 55 HA GLU 9 HA GLU 9 62.823 13.006 -2.557 56 1HB GLU 9 HB2 GLU 9 65.631 12.783 -2.424 57 2HB GLU 9 HB1 GLU 9 65.088 11.409 -3.388 58 1HG GLU 9 HG2 GLU 9 63.608 13.115 -4.641 59 2HG GLU 9 HG1 GLU 9 64.626 14.346 -3.891 60 H ALA 10 HN ALA 10 64.223 10.217 -0.870 61 HA ALA 10 HA ALA 10 63.028 8.206 -2.534 62 1HB ALA 10 HB2 ALA 10 64.884 7.831 -0.862 63 2HB ALA 10 HB1 ALA 10 63.678 7.972 0.417 64 3HB ALA 10 HB3 ALA 10 63.568 6.661 -0.756 65 H ARG 11 HN ARG 11 61.982 9.597 0.593 66 HA ARG 11 HA ARG 11 59.489 8.155 0.648 67 1HB ARG 11 HB2 ARG 11 60.892 9.931 2.355 68 2HB ARG 11 HB1 ARG 11 59.313 10.662 2.060 69 1HG ARG 11 HG2 ARG 11 58.155 8.805 2.927 70 2HG ARG 11 HG1 ARG 11 59.548 7.737 2.750 71 1HD ARG 11 HD2 ARG 11 60.399 8.337 4.760 72 2HD ARG 11 HD1 ARG 11 60.081 10.048 4.477 73 HE ARG 11 HE ARG 11 58.127 9.799 5.758 74 1HH1 ARG 11 HH11 ARG 11 59.371 6.753 4.752 75 2HH1 ARG 11 HH12 ARG 11 58.041 5.846 5.391 76 1HH2 ARG 11 HH21 ARG 11 56.294 8.646 6.454 77 2HH2 ARG 11 HH22 ARG 11 56.301 6.917 6.355 78 H ALA 12 HN ALA 12 60.543 11.047 -0.966 79 HA ALA 12 HA ALA 12 57.890 12.167 -1.358 80 1HB ALA 12 HB2 ALA 12 60.035 13.486 -1.480 81 2HB ALA 12 HB1 ALA 12 60.389 12.664 -3.000 82 3HB ALA 12 HB3 ALA 12 58.976 13.711 -2.873 83 H PHE 13 HN PHE 13 59.980 9.952 -3.144 84 HA PHE 13 HA PHE 13 58.126 9.900 -5.437 85 1HB PHE 13 HB2 PHE 13 60.536 9.730 -5.865 86 2HB PHE 13 HB1 PHE 13 60.633 8.297 -4.843 87 HD1 PHE 13 HD1 PHE 13 59.098 9.656 -7.954 88 HD2 PHE 13 HD2 PHE 13 60.071 6.145 -5.677 89 HE1 PHE 13 HE1 PHE 13 58.480 8.230 -9.887 90 HE2 PHE 13 HE2 PHE 13 59.454 4.720 -7.613 91 HZ PHE 13 HZ PHE 13 58.658 5.763 -9.717 92 H LEU 14 HN LEU 14 58.750 8.114 -2.519 93 HA LEU 14 HA LEU 14 57.145 5.809 -3.461 94 1HB LEU 14 HB2 LEU 14 58.398 6.239 -0.736 95 2HB LEU 14 HB1 LEU 14 57.828 4.717 -1.423 96 HG LEU 14 HG LEU 14 59.981 6.342 -2.774 97 1HD1 LEU 14 HD11 LEU 14 60.198 5.154 -0.223 98 2HD1 LEU 14 HD13 LEU 14 60.992 4.044 -1.342 99 3HD1 LEU 14 HD12 LEU 14 61.515 5.725 -1.248 100 1HD2 LEU 14 HD23 LEU 14 59.040 3.465 -2.860 101 2HD2 LEU 14 HD22 LEU 14 59.020 4.645 -4.172 102 3HD2 LEU 14 HD21 LEU 14 60.553 3.994 -3.592 103 H SER 15 HN SER 15 55.088 5.363 -2.681 104 HA SER 15 HA SER 15 53.774 7.569 -1.192 105 1HB SER 15 HB2 SER 15 52.963 6.051 -3.367 106 2HB SER 15 HB1 SER 15 52.086 5.322 -2.025 107 HG SER 15 HG SER 15 51.458 7.506 -1.461 108 H GLU 16 HN GLU 16 52.273 6.959 0.592 109 HA GLU 16 HA GLU 16 53.519 5.394 2.586 110 1HB GLU 16 HB2 GLU 16 51.047 6.844 2.286 111 2HB GLU 16 HB1 GLU 16 50.729 5.300 3.079 112 1HG GLU 16 HG2 GLU 16 53.005 6.073 4.367 113 2HG GLU 16 HG1 GLU 16 52.254 7.638 4.053 114 H GLU 17 HN GLU 17 51.287 4.464 0.031 115 HA GLU 17 HA GLU 17 50.651 1.858 1.093 116 1HB GLU 17 HB2 GLU 17 50.676 2.770 -1.802 117 2HB GLU 17 HB1 GLU 17 49.827 1.365 -1.156 118 1HG GLU 17 HG2 GLU 17 48.819 3.248 0.480 119 2HG GLU 17 HG1 GLU 17 49.152 4.256 -0.928 120 H MET 18 HN MET 18 53.247 3.115 -0.945 121 HA MET 18 HA MET 18 54.308 0.500 -1.624 122 1HB MET 18 HB2 MET 18 55.265 3.334 -1.874 123 2HB MET 18 HB1 MET 18 56.417 2.016 -2.091 124 1HG MET 18 HG2 MET 18 53.836 1.698 -3.509 125 2HG MET 18 HG1 MET 18 54.875 2.993 -4.102 126 1HE MET 18 HE3 MET 18 55.942 2.573 -6.050 127 2HE MET 18 HE2 MET 18 57.361 2.633 -5.007 128 3HE MET 18 HE1 MET 18 57.259 1.415 -6.275 129 H ILE 19 HN ILE 19 55.537 3.076 0.550 130 HA ILE 19 HA ILE 19 57.617 1.593 1.727 131 HB ILE 19 HB ILE 19 55.828 3.743 2.887 132 1HG1 ILE 19 HG12 ILE 19 58.606 4.417 2.565 133 2HG1 ILE 19 HG11 ILE 19 58.004 3.732 1.054 134 1HG2 ILE 19 HG23 ILE 19 58.366 2.544 4.039 135 2HG2 ILE 19 HG22 ILE 19 57.520 3.954 4.677 136 3HG2 ILE 19 HG21 ILE 19 56.746 2.369 4.716 137 1HD1 ILE 19 HD12 ILE 19 56.077 5.303 1.141 138 2HD1 ILE 19 HD11 ILE 19 56.754 6.021 2.602 139 3HD1 ILE 19 HD13 ILE 19 57.622 6.151 1.073 140 H ALA 20 HN ALA 20 54.177 1.309 2.173 141 HA ALA 20 HA ALA 20 54.223 -0.031 4.720 142 1HB ALA 20 HB3 ALA 20 52.234 0.008 2.443 143 2HB ALA 20 HB2 ALA 20 51.957 -0.918 3.918 144 3HB ALA 20 HB1 ALA 20 52.123 0.836 3.996 145 H GLU 21 HN GLU 21 54.299 -1.211 1.359 146 HA GLU 21 HA GLU 21 54.357 -4.006 2.157 147 1HB GLU 21 HB2 GLU 21 54.803 -2.519 -0.424 148 2HB GLU 21 HB1 GLU 21 55.188 -4.238 -0.306 149 1HG GLU 21 HG2 GLU 21 52.613 -3.751 0.891 150 2HG GLU 21 HG1 GLU 21 52.642 -3.074 -0.739 151 H PHE 22 HN PHE 22 56.829 -1.731 0.919 152 HA PHE 22 HA PHE 22 59.038 -3.468 0.968 153 1HB PHE 22 HB2 PHE 22 58.819 -0.503 1.519 154 2HB PHE 22 HB1 PHE 22 60.371 -1.337 1.476 155 HD1 PHE 22 HD1 PHE 22 60.553 -3.048 -0.645 156 HD2 PHE 22 HD2 PHE 22 58.155 0.512 -0.460 157 HE1 PHE 22 HE1 PHE 22 60.545 -2.922 -3.123 158 HE2 PHE 22 HE2 PHE 22 58.149 0.636 -2.937 159 HZ PHE 22 HZ PHE 22 59.343 -1.081 -4.268 160 H LYS 23 HN LYS 23 57.568 -1.643 3.638 161 HA LYS 23 HA LYS 23 59.473 -2.033 5.647 162 1HB LYS 23 HB2 LYS 23 57.511 -0.744 6.143 163 2HB LYS 23 HB1 LYS 23 56.451 -2.110 5.794 164 1HG LYS 23 HG2 LYS 23 56.751 -1.764 8.239 165 2HG LYS 23 HG1 LYS 23 57.354 -3.336 7.714 166 1HD LYS 23 HD2 LYS 23 59.483 -2.827 8.283 167 2HD LYS 23 HD1 LYS 23 59.382 -1.229 7.542 168 1HE LYS 23 HE2 LYS 23 59.710 -1.276 10.083 169 2HE LYS 23 HE1 LYS 23 58.384 -0.279 9.488 170 1HZ LYS 23 HZ3 LYS 23 57.577 -2.979 9.921 171 2HZ LYS 23 HZ2 LYS 23 58.203 -2.283 11.338 172 3HZ LYS 23 HZ1 LYS 23 56.905 -1.545 10.526 173 H ALA 24 HN ALA 24 57.003 -4.324 4.507 174 HA ALA 24 HA ALA 24 57.437 -6.370 6.412 175 1HB ALA 24 HB3 ALA 24 55.853 -6.086 4.196 176 2HB ALA 24 HB2 ALA 24 57.007 -7.299 3.644 177 3HB ALA 24 HB1 ALA 24 56.044 -7.592 5.093 178 H ALA 25 HN ALA 25 59.115 -5.748 3.324 179 HA ALA 25 HA ALA 25 60.836 -8.043 3.488 180 1HB ALA 25 HB2 ALA 25 60.416 -6.661 1.417 181 2HB ALA 25 HB1 ALA 25 61.442 -5.409 2.118 182 3HB ALA 25 HB3 ALA 25 62.120 -6.992 1.733 183 H PHE 26 HN PHE 26 61.133 -4.713 4.671 184 HA PHE 26 HA PHE 26 63.859 -4.770 5.432 185 1HB PHE 26 HB2 PHE 26 62.213 -2.795 5.510 186 2HB PHE 26 HB1 PHE 26 61.702 -3.433 7.073 187 HD1 PHE 26 HD1 PHE 26 65.011 -3.044 5.335 188 HD2 PHE 26 HD2 PHE 26 62.662 -2.280 8.851 189 HE1 PHE 26 HE1 PHE 26 66.973 -1.981 6.416 190 HE2 PHE 26 HE2 PHE 26 64.626 -1.216 9.931 191 HZ PHE 26 HZ PHE 26 66.780 -1.066 8.714 192 H ASP 27 HN ASP 27 61.031 -5.416 7.543 193 HA ASP 27 HA ASP 27 62.503 -6.374 9.759 194 1HB ASP 27 HB2 ASP 27 60.421 -7.497 10.441 195 2HB ASP 27 HB1 ASP 27 60.080 -5.875 9.837 196 H MET 28 HN MET 28 61.994 -7.807 6.674 197 HA MET 28 HA MET 28 62.260 -10.575 7.455 198 1HB MET 28 HB2 MET 28 61.832 -9.142 5.052 199 2HB MET 28 HB1 MET 28 63.309 -10.078 4.813 200 1HG MET 28 HG2 MET 28 62.230 -12.109 5.070 201 2HG MET 28 HG1 MET 28 60.975 -11.431 6.106 202 1HE MET 28 HE2 MET 28 62.173 -9.552 3.064 203 2HE MET 28 HE1 MET 28 62.480 -11.180 2.467 204 3HE MET 28 HE3 MET 28 61.240 -10.174 1.705 205 H PHE 29 HN PHE 29 64.568 -8.059 6.466 206 HA PHE 29 HA PHE 29 66.838 -9.902 6.594 207 1HB PHE 29 HB2 PHE 29 67.210 -6.935 6.717 208 2HB PHE 29 HB1 PHE 29 68.117 -8.141 5.805 209 HD1 PHE 29 HD1 PHE 29 66.312 -9.576 4.199 210 HD2 PHE 29 HD2 PHE 29 66.098 -5.438 5.330 211 HE1 PHE 29 HE1 PHE 29 64.930 -9.100 2.195 212 HE2 PHE 29 HE2 PHE 29 64.715 -4.962 3.326 213 HZ PHE 29 HZ PHE 29 64.131 -6.792 1.759 214 H ASP 30 HN ASP 30 64.979 -8.237 8.875 215 HA ASP 30 HA ASP 30 67.234 -8.099 10.818 216 1HB ASP 30 HB2 ASP 30 64.646 -6.692 10.502 217 2HB ASP 30 HB1 ASP 30 65.097 -7.083 12.162 218 H ALA 31 HN ALA 31 67.250 -10.484 10.999 219 HA ALA 31 HA ALA 31 64.915 -11.898 11.971 220 1HB ALA 31 HB2 ALA 31 67.589 -12.553 11.159 221 2HB ALA 31 HB1 ALA 31 67.284 -13.275 12.739 222 3HB ALA 31 HB3 ALA 31 66.215 -13.636 11.382 223 H ASP 32 HN ASP 32 67.674 -10.298 13.492 224 HA ASP 32 HA ASP 32 66.895 -11.241 16.166 225 1HB ASP 32 HB2 ASP 32 69.289 -10.858 15.524 226 2HB ASP 32 HB1 ASP 32 68.936 -9.134 15.400 227 H GLY 33 HN GLY 33 65.982 -8.732 14.065 228 1HA GLY 33 HA2 GLY 33 64.398 -7.019 14.416 229 2HA GLY 33 HA1 GLY 33 64.250 -7.560 16.088 230 H GLY 34 HN GLY 34 67.075 -6.378 14.243 231 1HA GLY 34 HA2 GLY 34 67.767 -4.633 16.519 232 2HA GLY 34 HA1 GLY 34 68.766 -4.918 15.093 233 H GLY 35 HN GLY 35 65.691 -4.330 13.996 234 1HA GLY 35 HA2 GLY 35 64.618 -2.433 13.113 235 2HA GLY 35 HA1 GLY 35 65.582 -1.448 14.216 236 H ASP 36 HN ASP 36 67.610 -3.469 12.463 237 HA ASP 36 HA ASP 36 67.811 -1.899 10.028 238 1HB ASP 36 HB2 ASP 36 70.096 -0.994 10.539 239 2HB ASP 36 HB1 ASP 36 68.822 -0.268 11.522 240 H ILE 37 HN ILE 37 69.175 -2.928 8.521 241 HA ILE 37 HA ILE 37 70.480 -5.425 9.515 242 HB ILE 37 HB ILE 37 68.924 -6.437 8.218 243 1HG1 ILE 37 HG12 ILE 37 71.186 -6.466 6.889 244 2HG1 ILE 37 HG11 ILE 37 69.720 -7.054 6.116 245 1HG2 ILE 37 HG23 ILE 37 68.626 -3.742 6.922 246 2HG2 ILE 37 HG22 ILE 37 67.882 -5.163 6.189 247 3HG2 ILE 37 HG21 ILE 37 67.436 -4.679 7.826 248 1HD1 ILE 37 HD13 ILE 37 69.403 -4.806 5.078 249 2HD1 ILE 37 HD12 ILE 37 70.937 -4.294 5.778 250 3HD1 ILE 37 HD11 ILE 37 70.904 -5.581 4.574 251 H SER 38 HN SER 38 72.411 -6.057 8.358 252 HA SER 38 HA SER 38 74.068 -3.755 7.676 253 1HB SER 38 HB2 SER 38 75.762 -5.643 7.156 254 2HB SER 38 HB1 SER 38 75.226 -5.462 8.824 255 HG SER 38 HG SER 38 74.703 -7.455 6.965 256 H THR 39 HN THR 39 75.089 -3.401 5.613 257 HA THR 39 HA THR 39 73.368 -3.873 3.359 258 HB THR 39 HB THR 39 74.886 -2.606 2.116 259 HG1 THR 39 HG1 THR 39 76.933 -3.030 2.167 260 1HG2 THR 39 HG22 THR 39 74.392 -1.835 4.792 261 2HG2 THR 39 HG21 THR 39 76.070 -1.410 4.454 262 3HG2 THR 39 HG23 THR 39 74.779 -0.787 3.428 263 H LYS 40 HN LYS 40 75.695 -5.824 4.890 264 HA LYS 40 HA LYS 40 76.724 -7.270 2.638 265 1HB LYS 40 HB2 LYS 40 76.238 -8.304 5.448 266 2HB LYS 40 HB1 LYS 40 77.354 -8.978 4.260 267 1HG LYS 40 HG2 LYS 40 77.811 -6.130 4.662 268 2HG LYS 40 HG1 LYS 40 77.955 -7.031 6.173 269 1HD LYS 40 HD2 LYS 40 79.248 -8.623 4.256 270 2HD LYS 40 HD1 LYS 40 79.762 -6.974 3.901 271 1HE LYS 40 HE2 LYS 40 81.062 -6.904 5.740 272 2HE LYS 40 HE1 LYS 40 79.737 -7.457 6.764 273 1HZ LYS 40 HZ1 LYS 40 80.932 -9.454 5.024 274 2HZ LYS 40 HZ3 LYS 40 81.914 -8.896 6.290 275 3HZ LYS 40 HZ2 LYS 40 80.400 -9.588 6.634 276 H ALA 41 HN ALA 41 73.732 -7.469 4.463 277 HA ALA 41 HA ALA 41 72.941 -9.974 3.111 278 1HB ALA 41 HB3 ALA 41 71.936 -8.338 5.372 279 2HB ALA 41 HB2 ALA 41 70.700 -9.150 4.412 280 3HB ALA 41 HB1 ALA 41 71.979 -10.090 5.182 281 H LEU 42 HN LEU 42 72.655 -6.571 2.652 282 HA LEU 42 HA LEU 42 70.226 -6.166 1.397 283 1HB LEU 42 HB2 LEU 42 72.899 -5.012 1.163 284 2HB LEU 42 HB1 LEU 42 72.013 -4.939 -0.360 285 HG LEU 42 HG LEU 42 71.497 -2.932 0.882 286 1HD1 LEU 42 HD11 LEU 42 69.607 -4.588 -0.123 287 2HD1 LEU 42 HD13 LEU 42 69.057 -4.484 1.549 288 3HD1 LEU 42 HD12 LEU 42 69.232 -3.017 0.586 289 1HD2 LEU 42 HD21 LEU 42 71.691 -4.722 3.120 290 2HD2 LEU 42 HD23 LEU 42 71.597 -2.961 3.129 291 3HD2 LEU 42 HD22 LEU 42 70.119 -3.923 3.164 292 H GLY 43 HN GLY 43 72.955 -8.033 0.195 293 1HA GLY 43 HA2 GLY 43 72.159 -8.305 -2.519 294 2HA GLY 43 HA1 GLY 43 73.107 -9.500 -1.632 295 H THR 44 HN THR 44 71.486 -10.497 0.238 296 HA THR 44 HA THR 44 69.667 -12.165 -1.218 297 HB THR 44 HB THR 44 70.030 -11.607 1.736 298 HG1 THR 44 HG1 THR 44 70.435 -14.007 0.319 299 1HG2 THR 44 HG22 THR 44 67.975 -13.253 0.301 300 2HG2 THR 44 HG21 THR 44 68.621 -13.837 1.836 301 3HG2 THR 44 HG23 THR 44 67.805 -12.275 1.760 302 H VAL 45 HN VAL 45 69.322 -9.087 0.391 303 HA VAL 45 HA VAL 45 66.480 -9.054 0.689 304 HB VAL 45 HB VAL 45 68.496 -6.833 0.268 305 1HG1 VAL 45 HG13 VAL 45 65.529 -6.799 0.418 306 2HG1 VAL 45 HG12 VAL 45 66.372 -5.602 1.402 307 3HG1 VAL 45 HG11 VAL 45 66.632 -5.651 -0.342 308 1HG2 VAL 45 HG22 VAL 45 67.766 -8.466 2.484 309 2HG2 VAL 45 HG21 VAL 45 68.855 -7.080 2.479 310 3HG2 VAL 45 HG23 VAL 45 67.136 -6.849 2.798 311 H MET 46 HN MET 46 68.597 -8.154 -2.021 312 HA MET 46 HA MET 46 66.565 -7.071 -3.707 313 1HB MET 46 HB2 MET 46 69.163 -8.479 -4.387 314 2HB MET 46 HB1 MET 46 68.159 -7.641 -5.570 315 1HG MET 46 HG2 MET 46 69.111 -6.261 -3.060 316 2HG MET 46 HG1 MET 46 70.104 -6.307 -4.518 317 1HE MET 46 HE1 MET 46 70.160 -4.033 -3.988 318 2HE MET 46 HE3 MET 46 69.304 -2.907 -5.051 319 3HE MET 46 HE2 MET 46 68.744 -3.164 -3.401 320 H ARG 47 HN ARG 47 68.070 -10.321 -3.925 321 HA ARG 47 HA ARG 47 66.266 -11.436 -5.761 322 1HB ARG 47 HB2 ARG 47 67.421 -12.938 -3.397 323 2HB ARG 47 HB1 ARG 47 66.978 -13.595 -4.971 324 1HG ARG 47 HG2 ARG 47 68.772 -11.484 -5.503 325 2HG ARG 47 HG1 ARG 47 69.470 -12.383 -4.156 326 1HD ARG 47 HD2 ARG 47 69.630 -14.362 -5.379 327 2HD ARG 47 HD1 ARG 47 68.362 -13.884 -6.508 328 HE ARG 47 HE ARG 47 70.735 -12.186 -6.653 329 1HH1 ARG 47 HH21 ARG 47 69.219 -12.553 -9.078 330 2HH1 ARG 47 HH22 ARG 47 70.088 -13.775 -9.945 331 1HH2 ARG 47 HH11 ARG 47 71.857 -14.861 -7.169 332 2HH2 ARG 47 HH12 ARG 47 71.581 -15.082 -8.864 333 H MET 48 HN MET 48 65.777 -10.644 -2.411 334 HA MET 48 HA MET 48 63.486 -12.361 -1.983 335 1HB MET 48 HB2 MET 48 64.405 -9.835 -0.582 336 2HB MET 48 HB1 MET 48 63.065 -10.838 -0.029 337 1HG MET 48 HG2 MET 48 65.526 -12.350 -0.598 338 2HG MET 48 HG1 MET 48 65.688 -11.187 0.717 339 1HE MET 48 HE1 MET 48 64.799 -11.219 2.802 340 2HE MET 48 HE3 MET 48 64.205 -12.670 3.621 341 3HE MET 48 HE2 MET 48 65.808 -12.661 2.888 342 H LEU 49 HN LEU 49 63.809 -8.872 -2.716 343 HA LEU 49 HA LEU 49 60.942 -8.539 -3.053 344 1HB LEU 49 HB2 LEU 49 62.989 -6.674 -4.233 345 2HB LEU 49 HB1 LEU 49 61.418 -6.292 -3.530 346 HG LEU 49 HG LEU 49 63.940 -7.119 -2.081 347 1HD1 LEU 49 HD11 LEU 49 62.170 -4.675 -2.145 348 2HD1 LEU 49 HD13 LEU 49 63.264 -4.984 -0.795 349 3HD1 LEU 49 HD12 LEU 49 63.908 -4.777 -2.423 350 1HD2 LEU 49 HD21 LEU 49 61.894 -8.324 -1.217 351 2HD2 LEU 49 HD23 LEU 49 62.640 -7.243 -0.041 352 3HD2 LEU 49 HD22 LEU 49 61.176 -6.746 -0.889 353 H GLY 50 HN GLY 50 63.530 -8.023 -5.477 354 1HA GLY 50 HA2 GLY 50 62.765 -9.882 -7.400 355 2HA GLY 50 HA1 GLY 50 61.691 -8.509 -7.665 356 H GLN 51 HN GLN 51 63.602 -6.477 -6.893 357 HA GLN 51 HA GLN 51 64.769 -5.775 -9.305 358 1HB GLN 51 HB2 GLN 51 65.130 -5.020 -6.517 359 2HB GLN 51 HB1 GLN 51 66.644 -4.915 -7.415 360 1HG GLN 51 HG2 GLN 51 65.685 -2.810 -7.799 361 2HG GLN 51 HG1 GLN 51 65.197 -3.717 -9.230 362 1HE2 GLN 51 HE22 GLN 51 62.331 -2.116 -7.017 363 2HE2 GLN 51 HE21 GLN 51 63.947 -1.597 -7.043 364 H ASN 52 HN ASN 52 66.600 -6.365 -10.439 365 HA ASN 52 HA ASN 52 68.509 -8.232 -9.115 366 1HB ASN 52 HB2 ASN 52 67.406 -8.633 -11.910 367 2HB ASN 52 HB1 ASN 52 68.497 -9.709 -11.036 368 1HD2 ASN 52 HD22 ASN 52 65.741 -10.473 -8.624 369 2HD2 ASN 52 HD21 ASN 52 67.288 -9.786 -8.494 370 HA PRO 53 HA PRO 53 70.524 -4.837 -11.572 371 1HB PRO 53 HB2 PRO 53 71.789 -3.657 -9.435 372 2HB PRO 53 HB1 PRO 53 70.173 -3.191 -9.996 373 1HG PRO 53 HG2 PRO 53 70.940 -4.774 -7.587 374 2HG PRO 53 HG1 PRO 53 69.506 -3.771 -7.860 375 1HD PRO 53 HD2 PRO 53 69.603 -6.597 -8.004 376 2HD PRO 53 HD1 PRO 53 68.281 -5.567 -8.593 377 H THR 54 HN THR 54 73.068 -4.284 -11.272 378 HA THR 54 HA THR 54 74.407 -6.915 -11.169 379 HB THR 54 HB THR 54 75.007 -5.584 -13.066 380 HG1 THR 54 HG1 THR 54 77.119 -5.035 -11.297 381 1HG2 THR 54 HG23 THR 54 75.215 -3.394 -11.020 382 2HG2 THR 54 HG22 THR 54 76.114 -3.273 -12.532 383 3HG2 THR 54 HG21 THR 54 74.356 -3.397 -12.560 384 H LYS 55 HN LYS 55 76.146 -7.374 -9.748 385 HA LYS 55 HA LYS 55 75.976 -6.407 -7.108 386 1HB LYS 55 HB2 LYS 55 78.239 -7.408 -6.793 387 2HB LYS 55 HB1 LYS 55 77.140 -8.490 -7.650 388 1HG LYS 55 HG2 LYS 55 78.121 -7.411 -9.806 389 2HG LYS 55 HG1 LYS 55 79.432 -6.878 -8.753 390 1HD LYS 55 HD2 LYS 55 78.519 -9.757 -8.857 391 2HD LYS 55 HD1 LYS 55 79.775 -9.128 -9.923 392 1HE LYS 55 HE2 LYS 55 80.866 -8.240 -7.732 393 2HE LYS 55 HE1 LYS 55 79.814 -9.401 -6.924 394 1HZ LYS 55 HZ2 LYS 55 80.727 -11.119 -8.436 395 2HZ LYS 55 HZ1 LYS 55 81.848 -9.975 -9.006 396 3HZ LYS 55 HZ3 LYS 55 81.882 -10.457 -7.381 397 H GLU 56 HN GLU 56 78.216 -5.404 -9.704 398 HA GLU 56 HA GLU 56 79.728 -3.528 -8.241 399 1HB GLU 56 HB2 GLU 56 80.290 -4.147 -10.545 400 2HB GLU 56 HB1 GLU 56 78.816 -3.376 -11.132 401 1HG GLU 56 HG2 GLU 56 79.736 -1.250 -9.931 402 2HG GLU 56 HG1 GLU 56 81.286 -2.093 -9.984 403 H GLU 57 HN GLU 57 76.930 -2.728 -10.339 404 HA GLU 57 HA GLU 57 76.611 -0.066 -9.500 405 1HB GLU 57 HB2 GLU 57 75.360 -1.279 -11.364 406 2HB GLU 57 HB1 GLU 57 74.298 -1.918 -10.109 407 1HG GLU 57 HG2 GLU 57 73.401 0.169 -9.608 408 2HG GLU 57 HG1 GLU 57 74.819 1.034 -10.204 409 H LEU 58 HN LEU 58 75.813 -3.019 -7.820 410 HA LEU 58 HA LEU 58 73.972 -1.841 -5.926 411 1HB LEU 58 HB2 LEU 58 74.743 -4.408 -6.534 412 2HB LEU 58 HB1 LEU 58 75.553 -4.145 -4.989 413 HG LEU 58 HG LEU 58 72.690 -3.307 -5.275 414 1HD1 LEU 58 HD11 LEU 58 73.632 -6.143 -4.748 415 2HD1 LEU 58 HD13 LEU 58 71.970 -5.572 -4.598 416 3HD1 LEU 58 HD12 LEU 58 72.752 -5.602 -6.178 417 1HD2 LEU 58 HD22 LEU 58 74.203 -2.881 -3.250 418 2HD2 LEU 58 HD21 LEU 58 72.660 -3.667 -2.914 419 3HD2 LEU 58 HD23 LEU 58 74.142 -4.621 -2.969 420 H ASP 59 HN ASP 59 77.474 -2.519 -5.855 421 HA ASP 59 HA ASP 59 77.952 -1.697 -3.181 422 1HB ASP 59 HB2 ASP 59 79.537 -2.723 -5.072 423 2HB ASP 59 HB1 ASP 59 79.969 -1.025 -5.281 424 H ALA 60 HN ALA 60 77.965 0.213 -6.198 425 HA ALA 60 HA ALA 60 78.645 2.700 -4.934 426 1HB ALA 60 HB1 ALA 60 77.205 2.058 -7.520 427 2HB ALA 60 HB3 ALA 60 77.597 3.705 -7.025 428 3HB ALA 60 HB2 ALA 60 78.889 2.540 -7.319 429 H ILE 61 HN ILE 61 75.703 0.881 -5.125 430 HA ILE 61 HA ILE 61 73.928 3.125 -4.568 431 HB ILE 61 HB ILE 61 73.595 0.119 -4.485 432 1HG1 ILE 61 HG12 ILE 61 72.085 2.086 -6.190 433 2HG1 ILE 61 HG11 ILE 61 73.717 1.597 -6.650 434 1HG2 ILE 61 HG23 ILE 61 72.192 1.242 -2.731 435 2HG2 ILE 61 HG22 ILE 61 71.454 2.212 -4.006 436 3HG2 ILE 61 HG21 ILE 61 71.243 0.460 -3.995 437 1HD1 ILE 61 HD13 ILE 61 72.361 -0.777 -5.934 438 2HD1 ILE 61 HD12 ILE 61 71.246 0.139 -6.949 439 3HD1 ILE 61 HD11 ILE 61 72.852 -0.273 -7.552 440 H ILE 62 HN ILE 62 75.481 0.561 -2.660 441 HA ILE 62 HA ILE 62 74.222 1.104 -0.170 442 HB ILE 62 HB ILE 62 76.978 0.045 -0.847 443 1HG1 ILE 62 HG12 ILE 62 75.106 -1.716 0.508 444 2HG1 ILE 62 HG11 ILE 62 74.402 -1.065 -0.970 445 1HG2 ILE 62 HG23 ILE 62 75.711 0.704 1.773 446 2HG2 ILE 62 HG22 ILE 62 76.597 -0.818 1.665 447 3HG2 ILE 62 HG21 ILE 62 77.415 0.705 1.315 448 1HD1 ILE 62 HD12 ILE 62 77.201 -1.885 -1.286 449 2HD1 ILE 62 HD11 ILE 62 76.131 -3.216 -0.849 450 3HD1 ILE 62 HD13 ILE 62 75.801 -2.257 -2.292 451 H GLU 63 HN GLU 63 76.826 2.739 -1.863 452 HA GLU 63 HA GLU 63 77.804 4.272 0.365 453 1HB GLU 63 HB2 GLU 63 78.216 4.162 -2.515 454 2HB GLU 63 HB1 GLU 63 78.199 5.825 -1.925 455 1HG GLU 63 HG2 GLU 63 79.692 4.085 -0.135 456 2HG GLU 63 HG1 GLU 63 80.344 4.033 -1.774 457 H GLU 64 HN GLU 64 75.476 5.078 -2.232 458 HA GLU 64 HA GLU 64 74.860 7.679 -1.152 459 1HB GLU 64 HB2 GLU 64 73.432 5.863 -3.106 460 2HB GLU 64 HB1 GLU 64 72.805 7.451 -2.657 461 1HG GLU 64 HG2 GLU 64 75.458 7.988 -3.220 462 2HG GLU 64 HG1 GLU 64 75.046 6.764 -4.421 463 H VAL 65 HN VAL 65 74.037 4.550 -0.118 464 HA VAL 65 HA VAL 65 71.486 5.414 1.113 465 HB VAL 65 HB VAL 65 72.893 2.738 1.325 466 1HG1 VAL 65 HG11 VAL 65 70.849 3.710 2.839 467 2HG1 VAL 65 HG13 VAL 65 69.948 3.012 1.494 468 3HG1 VAL 65 HG12 VAL 65 71.040 2.002 2.442 469 1HG2 VAL 65 HG23 VAL 65 72.073 3.773 -1.017 470 2HG2 VAL 65 HG22 VAL 65 71.887 2.061 -0.633 471 3HG2 VAL 65 HG21 VAL 65 70.524 3.164 -0.436 472 H ASP 66 HN ASP 66 74.805 4.618 1.996 473 HA ASP 66 HA ASP 66 74.189 4.894 4.872 474 1HB ASP 66 HB2 ASP 66 76.202 3.584 3.352 475 2HB ASP 66 HB1 ASP 66 77.009 4.818 4.321 476 H GLU 67 HN GLU 67 73.465 7.236 4.051 477 HA GLU 67 HA GLU 67 75.456 9.197 3.473 478 1HB GLU 67 HB2 GLU 67 73.770 10.839 4.219 479 2HB GLU 67 HB1 GLU 67 73.035 9.609 3.190 480 1HG GLU 67 HG2 GLU 67 72.736 8.426 5.611 481 2HG GLU 67 HG1 GLU 67 72.653 10.123 6.088 482 H ASP 68 HN ASP 68 74.811 7.455 6.342 483 HA ASP 68 HA ASP 68 76.019 9.526 8.084 484 1HB ASP 68 HB2 ASP 68 75.345 6.772 9.053 485 2HB ASP 68 HB1 ASP 68 75.199 8.317 9.889 486 H GLY 69 HN GLY 69 76.643 6.154 7.076 487 1HA GLY 69 HA2 GLY 69 78.875 5.393 6.482 488 2HA GLY 69 HA1 GLY 69 79.544 6.683 7.484 489 H SER 70 HN SER 70 76.884 4.987 8.847 490 HA SER 70 HA SER 70 78.574 3.970 10.996 491 1HB SER 70 HB2 SER 70 76.208 2.831 11.529 492 2HB SER 70 HB1 SER 70 76.519 4.530 11.873 493 HG SER 70 HG SER 70 74.567 3.866 10.561 494 H GLY 71 HN GLY 71 77.623 2.796 7.950 495 1HA GLY 71 HA2 GLY 71 78.223 0.745 6.940 496 2HA GLY 71 HA1 GLY 71 78.877 0.214 8.491 497 H THR 72 HN THR 72 75.649 1.474 8.432 498 HA THR 72 HA THR 72 74.488 -1.254 8.286 499 HB THR 72 HB THR 72 73.085 -0.389 10.392 500 HG1 THR 72 HG1 THR 72 74.074 1.505 10.775 501 1HG2 THR 72 HG21 THR 72 75.698 -1.839 10.201 502 2HG2 THR 72 HG23 THR 72 75.043 -1.479 11.800 503 3HG2 THR 72 HG22 THR 72 74.109 -2.452 10.662 504 H ILE 73 HN ILE 73 72.398 -1.237 7.453 505 HA ILE 73 HA ILE 73 71.414 1.411 6.529 506 HB ILE 73 HB ILE 73 70.434 -1.350 5.765 507 1HG1 ILE 73 HG12 ILE 73 72.899 -0.822 5.267 508 2HG1 ILE 73 HG11 ILE 73 71.900 -1.285 3.890 509 1HG2 ILE 73 HG23 ILE 73 70.000 1.438 4.685 510 2HG2 ILE 73 HG22 ILE 73 69.683 0.000 3.715 511 3HG2 ILE 73 HG21 ILE 73 68.786 0.270 5.210 512 1HD1 ILE 73 HD13 ILE 73 71.718 1.564 4.302 513 2HD1 ILE 73 HD12 ILE 73 73.411 1.085 4.186 514 3HD1 ILE 73 HD11 ILE 73 72.292 0.687 2.883 515 H ASP 74 HN ASP 74 69.531 2.275 7.307 516 HA ASP 74 HA ASP 74 68.001 0.628 9.283 517 1HB ASP 74 HB2 ASP 74 68.460 3.618 9.094 518 2HB ASP 74 HB1 ASP 74 67.255 2.896 10.163 519 H PHE 75 HN PHE 75 65.668 0.798 9.194 520 HA PHE 75 HA PHE 75 64.422 0.596 6.757 521 1HB PHE 75 HB2 PHE 75 63.393 0.316 9.083 522 2HB PHE 75 HB1 PHE 75 63.102 2.056 9.051 523 HD1 PHE 75 HD2 PHE 75 62.927 -0.509 6.337 524 HD2 PHE 75 HD1 PHE 75 60.800 2.370 8.707 525 HE1 PHE 75 HE2 PHE 75 60.899 -0.870 4.954 526 HE2 PHE 75 HE1 PHE 75 58.772 2.013 7.325 527 HZ PHE 75 HZ PHE 75 58.821 0.392 5.448 528 H GLU 76 HN GLU 76 65.480 3.572 8.276 529 HA GLU 76 HA GLU 76 63.910 5.332 6.594 530 1HB GLU 76 HB2 GLU 76 66.150 5.629 8.535 531 2HB GLU 76 HB1 GLU 76 65.941 6.920 7.352 532 1HG GLU 76 HG2 GLU 76 63.398 6.725 8.046 533 2HG GLU 76 HG1 GLU 76 64.073 6.014 9.514 534 H GLU 77 HN GLU 77 67.330 4.269 6.491 535 HA GLU 77 HA GLU 77 67.763 5.652 3.950 536 1HB GLU 77 HB2 GLU 77 69.548 3.542 5.174 537 2HB GLU 77 HB1 GLU 77 70.004 4.852 4.087 538 1HG GLU 77 HG2 GLU 77 69.653 6.506 5.772 539 2HG GLU 77 HG1 GLU 77 68.817 5.360 6.821 540 H PHE 78 HN PHE 78 66.375 2.672 4.823 541 HA PHE 78 HA PHE 78 67.274 1.076 2.604 542 1HB PHE 78 HB2 PHE 78 66.356 -0.287 4.217 543 2HB PHE 78 HB1 PHE 78 65.149 0.907 4.690 544 HD1 PHE 78 HD2 PHE 78 63.196 1.334 3.135 545 HD2 PHE 78 HD1 PHE 78 65.821 -2.031 2.706 546 HE1 PHE 78 HE2 PHE 78 61.488 0.180 1.743 547 HE2 PHE 78 HE1 PHE 78 64.123 -3.188 1.316 548 HZ PHE 78 HZ PHE 78 61.956 -2.082 0.834 549 H LEU 79 HN LEU 79 64.433 3.159 3.146 550 HA LEU 79 HA LEU 79 63.111 2.655 0.686 551 1HB LEU 79 HB2 LEU 79 63.247 5.292 2.180 552 2HB LEU 79 HB1 LEU 79 61.997 4.799 1.037 553 HG LEU 79 HG LEU 79 62.582 3.092 3.442 554 1HD1 LEU 79 HD12 LEU 79 62.207 5.499 4.159 555 2HD1 LEU 79 HD11 LEU 79 60.607 5.388 3.423 556 3HD1 LEU 79 HD13 LEU 79 61.028 4.345 4.782 557 1HD2 LEU 79 HD21 LEU 79 60.290 3.569 1.541 558 2HD2 LEU 79 HD23 LEU 79 61.092 2.049 1.939 559 3HD2 LEU 79 HD22 LEU 79 60.014 2.811 3.109 560 H VAL 80 HN VAL 80 65.934 4.578 1.443 561 HA VAL 80 HA VAL 80 65.979 6.106 -1.010 562 HB VAL 80 HB VAL 80 68.134 5.352 0.983 563 1HG1 VAL 80 HG13 VAL 80 68.299 6.657 -1.672 564 2HG1 VAL 80 HG12 VAL 80 69.145 7.483 -0.364 565 3HG1 VAL 80 HG11 VAL 80 69.545 5.811 -0.752 566 1HG2 VAL 80 HG21 VAL 80 66.151 7.499 0.697 567 2HG2 VAL 80 HG23 VAL 80 67.069 7.002 2.118 568 3HG2 VAL 80 HG22 VAL 80 67.792 8.098 0.941 569 H MET 81 HN MET 81 67.471 3.046 0.020 570 HA MET 81 HA MET 81 68.973 2.570 -2.358 571 1HB MET 81 HB2 MET 81 68.967 1.326 -0.049 572 2HB MET 81 HB1 MET 81 67.715 0.333 -0.794 573 1HG MET 81 HG2 MET 81 69.198 -0.267 -2.617 574 2HG MET 81 HG1 MET 81 70.433 0.847 -2.028 575 1HE MET 81 HE2 MET 81 70.749 0.986 0.391 576 2HE MET 81 HE1 MET 81 70.210 -0.217 1.557 577 3HE MET 81 HE3 MET 81 71.865 -0.263 0.933 578 H MET 82 HN MET 82 65.589 2.035 -1.565 579 HA MET 82 HA MET 82 64.984 0.316 -3.793 580 1HB MET 82 HB2 MET 82 63.008 2.241 -2.569 581 2HB MET 82 HB1 MET 82 62.712 0.631 -3.225 582 1HG MET 82 HG2 MET 82 64.138 1.334 -0.649 583 2HG MET 82 HG1 MET 82 62.643 0.420 -0.835 584 1HE MET 82 HE2 MET 82 62.725 -1.275 -2.905 585 2HE MET 82 HE1 MET 82 63.738 -2.707 -2.751 586 3HE MET 82 HE3 MET 82 62.601 -2.281 -1.463 587 H VAL 83 HN VAL 83 64.420 3.829 -3.333 588 HA VAL 83 HA VAL 83 63.693 4.207 -6.119 589 HB VAL 83 HB VAL 83 64.580 6.311 -4.126 590 1HG1 VAL 83 HG11 VAL 83 63.445 6.307 -6.846 591 2HG1 VAL 83 HG13 VAL 83 62.599 7.362 -5.714 592 3HG1 VAL 83 HG12 VAL 83 64.326 7.576 -5.996 593 1HG2 VAL 83 HG23 VAL 83 62.407 4.534 -3.904 594 2HG2 VAL 83 HG22 VAL 83 62.646 6.030 -2.998 595 3HG2 VAL 83 HG21 VAL 83 61.714 6.045 -4.495 596 H ARG 84 HN ARG 84 66.666 3.828 -4.514 597 HA ARG 84 HA ARG 84 68.309 5.592 -6.078 598 1HB ARG 84 HB2 ARG 84 68.709 3.815 -3.955 599 2HB ARG 84 HB1 ARG 84 69.658 3.138 -5.280 600 1HG ARG 84 HG2 ARG 84 71.235 4.643 -4.635 601 2HG ARG 84 HG1 ARG 84 70.239 5.805 -5.512 602 1HD ARG 84 HD2 ARG 84 69.031 5.544 -2.984 603 2HD ARG 84 HD1 ARG 84 70.762 5.638 -2.668 604 HE ARG 84 HE ARG 84 70.777 7.797 -3.885 605 1HH1 ARG 84 HH21 ARG 84 67.731 6.496 -4.354 606 2HH1 ARG 84 HH22 ARG 84 66.855 7.926 -3.920 607 1HH2 ARG 84 HH11 ARG 84 69.657 9.613 -2.766 608 2HH2 ARG 84 HH12 ARG 84 67.945 9.690 -3.019 609 H GLN 85 HN GLN 85 67.159 2.279 -6.572 610 HA GLN 85 HA GLN 85 68.616 2.207 -9.166 611 1HB GLN 85 HB2 GLN 85 69.105 0.200 -8.100 612 2HB GLN 85 HB1 GLN 85 67.547 0.135 -7.282 613 1HG GLN 85 HG2 GLN 85 67.628 -1.587 -9.008 614 2HG GLN 85 HG1 GLN 85 66.457 -0.351 -9.465 615 1HE2 GLN 85 HE22 GLN 85 69.137 -1.175 -12.174 616 2HE2 GLN 85 HE21 GLN 85 68.434 -2.237 -11.051 617 H MET 86 HN MET 86 65.403 2.081 -7.708 618 HA MET 86 HA MET 86 63.862 1.334 -9.943 619 1HB MET 86 HB2 MET 86 63.385 2.982 -7.507 620 2HB MET 86 HB1 MET 86 62.219 3.143 -8.819 621 1HG MET 86 HG2 MET 86 61.376 1.066 -8.477 622 2HG MET 86 HG1 MET 86 62.975 0.359 -8.255 623 1HE MET 86 HE1 MET 86 60.409 2.806 -6.695 624 2HE MET 86 HE3 MET 86 59.724 1.175 -6.696 625 3HE MET 86 HE2 MET 86 60.062 1.992 -5.172 626 H LYS 87 HN LYS 87 64.316 4.736 -8.904 627 HA LYS 87 HA LYS 87 63.390 5.989 -11.209 628 1HB LYS 87 HB2 LYS 87 65.305 6.695 -9.073 629 2HB LYS 87 HB1 LYS 87 65.508 7.600 -10.573 630 1HG LYS 87 HG2 LYS 87 62.931 7.919 -10.474 631 2HG LYS 87 HG1 LYS 87 63.090 7.452 -8.781 632 1HD LYS 87 HD2 LYS 87 63.925 9.470 -8.221 633 2HD LYS 87 HD1 LYS 87 65.109 9.407 -9.525 634 1HE LYS 87 HE2 LYS 87 63.861 10.743 -10.852 635 2HE LYS 87 HE1 LYS 87 62.396 9.820 -10.523 636 1HZ LYS 87 HZ3 LYS 87 63.411 11.464 -8.349 637 2HZ LYS 87 HZ2 LYS 87 62.758 12.299 -9.677 638 3HZ LYS 87 HZ1 LYS 87 61.812 11.169 -8.832 639 H GLU 88 HN GLU 88 66.907 5.975 -10.735 640 HA GLU 88 HA GLU 88 67.727 4.361 -12.860 641 1HB GLU 88 HB2 GLU 88 66.376 6.733 -13.792 642 2HB GLU 88 HB1 GLU 88 68.069 6.784 -14.284 643 1HG GLU 88 HG2 GLU 88 67.732 4.333 -15.027 644 2HG GLU 88 HG1 GLU 88 66.006 4.670 -14.899 645 H ASP 89 HN ASP 89 68.836 5.026 -10.446 646 HA ASP 89 HA ASP 89 70.766 5.901 -9.415 647 1HB ASP 89 HB2 ASP 89 71.934 5.659 -12.197 648 2HB ASP 89 HB1 ASP 89 72.777 5.502 -10.655 649 H ALA 90 HN ALA 90 69.647 8.045 -9.256 650 HA ALA 90 HA ALA 90 71.044 10.068 -10.960 651 1HB ALA 90 HB2 ALA 90 68.456 9.663 -11.285 652 2HB ALA 90 HB1 ALA 90 68.327 10.612 -9.803 653 3HB ALA 90 HB3 ALA 90 69.090 11.309 -11.233 No H/Q in entry = 653 Start of MODEL 4 1 1H ALA 1 HT1 ALA 1 68.360 12.341 16.103 2 2H ALA 1 HT3 ALA 1 68.386 10.782 15.437 3 3H ALA 1 HT2 ALA 1 69.346 11.140 16.791 4 HA ALA 1 HA ALA 1 70.938 12.183 15.596 5 1HB ALA 1 HB1 ALA 1 69.716 9.956 14.210 6 2HB ALA 1 HB3 ALA 1 70.414 11.089 13.051 7 3HB ALA 1 HB2 ALA 1 71.422 10.390 14.320 8 H SER 2 HN SER 2 68.764 11.960 12.815 9 HA SER 2 HA SER 2 67.808 14.613 12.745 10 1HB SER 2 HB2 SER 2 69.718 15.062 10.765 11 2HB SER 2 HB1 SER 2 69.681 15.813 12.358 12 HG SER 2 HG SER 2 71.654 14.613 11.711 13 H MET 3 HN MET 3 67.986 15.211 10.020 14 HA MET 3 HA MET 3 67.047 12.711 8.683 15 1HB MET 3 HB2 MET 3 65.130 13.838 7.771 16 2HB MET 3 HB1 MET 3 65.127 14.163 9.505 17 1HG MET 3 HG2 MET 3 66.626 16.247 8.670 18 2HG MET 3 HG1 MET 3 65.634 16.012 7.231 19 1HE MET 3 HE1 MET 3 65.931 16.306 10.852 20 2HE MET 3 HE3 MET 3 64.511 17.175 11.454 21 3HE MET 3 HE2 MET 3 64.436 15.435 11.181 22 H THR 4 HN THR 4 67.400 12.687 6.403 23 HA THR 4 HA THR 4 69.288 14.810 5.468 24 HB THR 4 HB THR 4 69.744 12.834 3.716 25 HG1 THR 4 HG1 THR 4 69.119 10.952 4.409 26 1HG2 THR 4 HG22 THR 4 71.321 13.951 5.366 27 2HG2 THR 4 HG21 THR 4 70.862 12.701 6.523 28 3HG2 THR 4 HG23 THR 4 71.670 12.259 5.020 29 H ASP 5 HN ASP 5 69.100 15.416 3.178 30 HA ASP 5 HA ASP 5 66.357 15.829 2.385 31 1HB ASP 5 HB2 ASP 5 68.631 16.087 0.444 32 2HB ASP 5 HB1 ASP 5 67.222 17.127 0.655 33 H GLN 6 HN GLN 6 68.678 13.322 1.769 34 HA GLN 6 HA GLN 6 67.672 12.313 -0.696 35 1HB GLN 6 HB2 GLN 6 68.674 10.148 0.031 36 2HB GLN 6 HB1 GLN 6 69.776 11.507 0.254 37 1HG GLN 6 HG2 GLN 6 68.740 11.628 2.651 38 2HG GLN 6 HG1 GLN 6 68.234 9.970 2.328 39 1HE2 GLN 6 HE22 GLN 6 71.449 8.648 2.873 40 2HE2 GLN 6 HE21 GLN 6 69.792 8.355 2.653 41 H GLN 7 HN GLN 7 66.647 11.754 2.658 42 HA GLN 7 HA GLN 7 64.653 9.769 1.908 43 1HB GLN 7 HB2 GLN 7 64.530 11.359 4.457 44 2HB GLN 7 HB1 GLN 7 64.133 9.662 4.187 45 1HG GLN 7 HG2 GLN 7 66.688 9.467 3.566 46 2HG GLN 7 HG1 GLN 7 66.825 10.942 4.524 47 1HE2 GLN 7 HE22 GLN 7 67.194 8.638 7.235 48 2HE2 GLN 7 HE21 GLN 7 68.043 9.644 6.163 49 H ALA 8 HN ALA 8 64.800 13.205 1.896 50 HA ALA 8 HA ALA 8 61.979 13.731 2.254 51 1HB ALA 8 HB1 ALA 8 64.224 15.298 2.140 52 2HB ALA 8 HB3 ALA 8 63.503 15.607 0.560 53 3HB ALA 8 HB2 ALA 8 62.576 15.916 2.029 54 H GLU 9 HN GLU 9 64.055 13.224 -0.591 55 HA GLU 9 HA GLU 9 61.758 13.529 -2.406 56 1HB GLU 9 HB2 GLU 9 64.568 13.728 -2.656 57 2HB GLU 9 HB1 GLU 9 64.078 12.363 -3.661 58 1HG GLU 9 HG2 GLU 9 63.754 14.103 -5.157 59 2HG GLU 9 HG1 GLU 9 62.157 14.034 -4.409 60 H ALA 10 HN ALA 10 63.657 10.947 -0.952 61 HA ALA 10 HA ALA 10 62.701 8.825 -2.639 62 1HB ALA 10 HB3 ALA 10 63.918 8.937 0.114 63 2HB ALA 10 HB2 ALA 10 63.307 7.415 -0.534 64 3HB ALA 10 HB1 ALA 10 64.603 8.274 -1.368 65 H ARG 11 HN ARG 11 61.642 9.949 0.589 66 HA ARG 11 HA ARG 11 59.443 8.122 0.789 67 1HB ARG 11 HB2 ARG 11 60.607 9.900 2.493 68 2HB ARG 11 HB1 ARG 11 59.130 10.769 2.077 69 1HG ARG 11 HG2 ARG 11 57.864 9.373 3.314 70 2HG ARG 11 HG1 ARG 11 58.593 7.954 2.562 71 1HD ARG 11 HD2 ARG 11 59.191 7.777 4.849 72 2HD ARG 11 HD1 ARG 11 60.632 8.426 4.067 73 HE ARG 11 HE ARG 11 59.886 10.688 4.891 74 1HH1 ARG 11 HH11 ARG 11 57.477 10.927 6.008 75 2HH1 ARG 11 HH12 ARG 11 57.541 10.292 7.618 76 1HH2 ARG 11 HH21 ARG 11 60.472 8.517 7.088 77 2HH2 ARG 11 HH22 ARG 11 59.236 8.927 8.230 78 H ALA 12 HN ALA 12 59.769 11.326 -0.661 79 HA ALA 12 HA ALA 12 56.930 11.707 -1.090 80 1HB ALA 12 HB1 ALA 12 59.236 13.266 -1.374 81 2HB ALA 12 HB3 ALA 12 58.628 13.073 -3.019 82 3HB ALA 12 HB2 ALA 12 57.588 13.755 -1.768 83 H PHE 13 HN PHE 13 59.496 10.094 -2.853 84 HA PHE 13 HA PHE 13 57.834 9.835 -5.274 85 1HB PHE 13 HB2 PHE 13 60.269 10.137 -5.510 86 2HB PHE 13 HB1 PHE 13 60.545 8.657 -4.591 87 HD1 PHE 13 HD2 PHE 13 59.915 6.454 -5.522 88 HD2 PHE 13 HD1 PHE 13 59.501 10.069 -7.804 89 HE1 PHE 13 HE2 PHE 13 59.669 5.117 -7.597 90 HE2 PHE 13 HE1 PHE 13 59.255 8.733 -9.878 91 HZ PHE 13 HZ PHE 13 59.339 6.256 -9.775 92 H LEU 14 HN LEU 14 58.484 8.067 -2.373 93 HA LEU 14 HA LEU 14 57.519 5.526 -3.550 94 1HB LEU 14 HB2 LEU 14 58.419 6.208 -0.732 95 2HB LEU 14 HB1 LEU 14 57.991 4.594 -1.298 96 HG LEU 14 HG LEU 14 60.182 6.300 -2.512 97 1HD1 LEU 14 HD12 LEU 14 60.153 4.767 -0.092 98 2HD1 LEU 14 HD11 LEU 14 61.163 3.929 -1.270 99 3HD1 LEU 14 HD13 LEU 14 61.514 5.602 -0.839 100 1HD2 LEU 14 HD23 LEU 14 58.784 3.985 -3.415 101 2HD2 LEU 14 HD22 LEU 14 60.186 4.760 -4.154 102 3HD2 LEU 14 HD21 LEU 14 60.412 3.477 -2.966 103 H SER 15 HN SER 15 55.439 4.824 -3.311 104 HA SER 15 HA SER 15 53.495 6.616 -2.050 105 1HB SER 15 HB2 SER 15 53.438 4.331 -3.889 106 2HB SER 15 HB1 SER 15 52.137 4.292 -2.703 107 HG SER 15 HG SER 15 51.806 6.565 -3.310 108 H GLU 16 HN GLU 16 51.871 5.691 -0.475 109 HA GLU 16 HA GLU 16 53.164 4.661 1.840 110 1HB GLU 16 HB2 GLU 16 50.800 4.219 2.640 111 2HB GLU 16 HB1 GLU 16 51.098 5.870 2.092 112 1HG GLU 16 HG2 GLU 16 49.971 5.517 0.041 113 2HG GLU 16 HG1 GLU 16 50.034 3.762 0.212 114 H GLU 17 HN GLU 17 51.436 3.045 -0.786 115 HA GLU 17 HA GLU 17 51.337 0.454 0.477 116 1HB GLU 17 HB2 GLU 17 50.782 -0.388 -1.744 117 2HB GLU 17 HB1 GLU 17 49.916 1.125 -1.470 118 1HG GLU 17 HG2 GLU 17 52.488 1.744 -2.571 119 2HG GLU 17 HG1 GLU 17 51.730 0.509 -3.579 120 H MET 18 HN MET 18 53.840 2.222 -1.159 121 HA MET 18 HA MET 18 55.444 -0.182 -1.697 122 1HB MET 18 HB2 MET 18 55.383 2.368 -2.777 123 2HB MET 18 HB1 MET 18 56.848 2.386 -1.794 124 1HG MET 18 HG2 MET 18 57.928 1.070 -3.269 125 2HG MET 18 HG1 MET 18 56.628 -0.120 -3.227 126 1HE MET 18 HE2 MET 18 58.575 2.246 -4.782 127 2HE MET 18 HE1 MET 18 57.960 2.507 -6.412 128 3HE MET 18 HE3 MET 18 57.451 3.566 -5.089 129 H ILE 19 HN ILE 19 55.928 2.755 0.312 130 HA ILE 19 HA ILE 19 58.180 1.823 1.730 131 HB ILE 19 HB ILE 19 55.935 3.663 2.595 132 1HG1 ILE 19 HG12 ILE 19 58.607 4.771 2.242 133 2HG1 ILE 19 HG11 ILE 19 58.044 3.968 0.776 134 1HG2 ILE 19 HG22 ILE 19 58.575 3.023 3.945 135 2HG2 ILE 19 HG21 ILE 19 57.555 4.399 4.367 136 3HG2 ILE 19 HG23 ILE 19 56.961 2.755 4.601 137 1HD1 ILE 19 HD12 ILE 19 55.901 5.509 1.965 138 2HD1 ILE 19 HD11 ILE 19 57.311 6.530 1.687 139 3HD1 ILE 19 HD13 ILE 19 56.593 5.634 0.348 140 H ALA 20 HN ALA 20 54.748 1.178 2.259 141 HA ALA 20 HA ALA 20 55.057 -0.082 4.828 142 1HB ALA 20 HB2 ALA 20 52.933 0.301 2.856 143 2HB ALA 20 HB1 ALA 20 52.839 -1.270 3.651 144 3HB ALA 20 HB3 ALA 20 52.826 0.207 4.613 145 H GLU 21 HN GLU 21 54.944 -1.379 1.504 146 HA GLU 21 HA GLU 21 55.188 -4.133 2.317 147 1HB GLU 21 HB2 GLU 21 55.630 -4.588 -0.031 148 2HB GLU 21 HB1 GLU 21 54.353 -3.375 0.078 149 1HG GLU 21 HG2 GLU 21 55.738 -1.651 -0.631 150 2HG GLU 21 HG1 GLU 21 57.206 -2.468 -0.102 151 H PHE 22 HN PHE 22 57.491 -1.554 1.849 152 HA PHE 22 HA PHE 22 59.829 -3.208 1.512 153 1HB PHE 22 HB2 PHE 22 59.362 -0.350 2.336 154 2HB PHE 22 HB1 PHE 22 60.974 -1.054 2.444 155 HD1 PHE 22 HD1 PHE 22 61.138 -2.822 0.147 156 HD2 PHE 22 HD2 PHE 22 59.324 1.059 0.462 157 HE1 PHE 22 HE1 PHE 22 61.458 -2.475 -2.287 158 HE2 PHE 22 HE2 PHE 22 59.645 1.406 -1.972 159 HZ PHE 22 HZ PHE 22 60.711 -0.360 -3.347 160 H LYS 23 HN LYS 23 58.084 -1.981 4.325 161 HA LYS 23 HA LYS 23 60.074 -2.593 6.287 162 1HB LYS 23 HB2 LYS 23 58.255 -1.194 6.956 163 2HB LYS 23 HB1 LYS 23 57.060 -2.381 6.431 164 1HG LYS 23 HG2 LYS 23 57.299 -2.425 8.881 165 2HG LYS 23 HG1 LYS 23 57.852 -3.946 8.176 166 1HD LYS 23 HD2 LYS 23 59.594 -3.450 9.652 167 2HD LYS 23 HD1 LYS 23 60.196 -2.763 8.143 168 1HE LYS 23 HE2 LYS 23 59.031 -0.580 8.903 169 2HE LYS 23 HE1 LYS 23 58.975 -1.330 10.499 170 1HZ LYS 23 HZ1 LYS 23 61.413 -1.712 10.259 171 2HZ LYS 23 HZ3 LYS 23 61.380 -0.743 8.867 172 3HZ LYS 23 HZ2 LYS 23 60.963 -0.077 10.374 173 H ALA 24 HN ALA 24 57.842 -4.594 4.514 174 HA ALA 24 HA ALA 24 57.702 -6.828 6.273 175 1HB ALA 24 HB2 ALA 24 56.486 -6.350 3.990 176 2HB ALA 24 HB1 ALA 24 57.870 -7.193 3.294 177 3HB ALA 24 HB3 ALA 24 56.830 -8.015 4.459 178 H ALA 25 HN ALA 25 59.992 -6.145 3.611 179 HA ALA 25 HA ALA 25 61.604 -8.489 4.160 180 1HB ALA 25 HB2 ALA 25 61.469 -6.525 2.142 181 2HB ALA 25 HB1 ALA 25 63.075 -6.365 2.852 182 3HB ALA 25 HB3 ALA 25 62.552 -7.917 2.197 183 H PHE 26 HN PHE 26 61.480 -5.254 5.438 184 HA PHE 26 HA PHE 26 64.130 -4.992 6.420 185 1HB PHE 26 HB2 PHE 26 62.191 -3.278 6.434 186 2HB PHE 26 HB1 PHE 26 61.711 -4.039 7.951 187 HD1 PHE 26 HD1 PHE 26 64.349 -2.109 6.237 188 HD2 PHE 26 HD2 PHE 26 63.060 -3.823 9.956 189 HE1 PHE 26 HE1 PHE 26 66.084 -0.805 7.437 190 HE2 PHE 26 HE2 PHE 26 64.795 -2.519 11.160 191 HZ PHE 26 HZ PHE 26 66.306 -1.010 9.898 192 H ASP 27 HN ASP 27 61.339 -5.782 8.514 193 HA ASP 27 HA ASP 27 62.855 -6.844 10.635 194 1HB ASP 27 HB2 ASP 27 60.096 -7.767 9.779 195 2HB ASP 27 HB1 ASP 27 60.795 -7.894 11.394 196 H MET 28 HN MET 28 62.223 -8.213 7.535 197 HA MET 28 HA MET 28 62.505 -10.994 8.284 198 1HB MET 28 HB2 MET 28 61.874 -9.587 5.944 199 2HB MET 28 HB1 MET 28 63.394 -10.406 5.579 200 1HG MET 28 HG2 MET 28 62.168 -12.445 6.776 201 2HG MET 28 HG1 MET 28 60.727 -11.573 6.255 202 1HE MET 28 HE2 MET 28 60.872 -10.303 3.904 203 2HE MET 28 HE1 MET 28 62.612 -10.149 3.676 204 3HE MET 28 HE3 MET 28 61.627 -10.978 2.464 205 H PHE 29 HN PHE 29 64.770 -8.623 6.848 206 HA PHE 29 HA PHE 29 67.007 -10.502 7.269 207 1HB PHE 29 HB2 PHE 29 67.369 -7.664 6.357 208 2HB PHE 29 HB1 PHE 29 68.260 -9.111 5.880 209 HD1 PHE 29 HD1 PHE 29 66.016 -10.974 5.303 210 HD2 PHE 29 HD2 PHE 29 66.535 -6.829 4.296 211 HE1 PHE 29 HE1 PHE 29 64.500 -11.260 3.363 212 HE2 PHE 29 HE2 PHE 29 65.010 -7.116 2.356 213 HZ PHE 29 HZ PHE 29 63.996 -9.330 1.891 214 H ASP 30 HN ASP 30 65.400 -8.979 9.451 215 HA ASP 30 HA ASP 30 67.705 -7.602 10.751 216 1HB ASP 30 HB2 ASP 30 65.659 -6.262 10.616 217 2HB ASP 30 HB1 ASP 30 64.740 -7.550 11.396 218 H ALA 31 HN ALA 31 67.897 -10.367 10.688 219 HA ALA 31 HA ALA 31 66.695 -11.779 12.830 220 1HB ALA 31 HB3 ALA 31 69.101 -12.110 11.137 221 2HB ALA 31 HB2 ALA 31 69.164 -12.929 12.699 222 3HB ALA 31 HB1 ALA 31 67.857 -13.285 11.570 223 H ASP 32 HN ASP 32 69.026 -9.254 12.885 224 HA ASP 32 HA ASP 32 70.271 -9.962 15.409 225 1HB ASP 32 HB2 ASP 32 70.717 -8.052 13.408 226 2HB ASP 32 HB1 ASP 32 70.274 -7.112 14.834 227 H GLY 33 HN GLY 33 67.504 -7.979 14.441 228 1HA GLY 33 HA2 GLY 33 65.638 -7.405 15.791 229 2HA GLY 33 HA1 GLY 33 66.459 -8.121 17.178 230 H GLY 34 HN GLY 34 68.799 -6.270 15.947 231 1HA GLY 34 HA2 GLY 34 68.631 -4.268 17.976 232 2HA GLY 34 HA1 GLY 34 69.706 -4.200 16.580 233 H GLY 35 HN GLY 35 66.985 -4.563 15.010 234 1HA GLY 35 HA2 GLY 35 65.175 -3.084 14.400 235 2HA GLY 35 HA1 GLY 35 65.954 -1.796 15.321 236 H ASP 36 HN ASP 36 67.790 -3.806 13.121 237 HA ASP 36 HA ASP 36 67.587 -1.977 10.867 238 1HB ASP 36 HB2 ASP 36 70.011 -1.279 10.986 239 2HB ASP 36 HB1 ASP 36 68.993 -0.569 12.241 240 H ILE 37 HN ILE 37 68.698 -2.820 9.017 241 HA ILE 37 HA ILE 37 69.609 -5.635 9.392 242 HB ILE 37 HB ILE 37 67.883 -5.773 7.857 243 1HG1 ILE 37 HG12 ILE 37 70.306 -5.126 6.153 244 2HG1 ILE 37 HG11 ILE 37 69.804 -6.722 6.716 245 1HG2 ILE 37 HG23 ILE 37 68.791 -3.089 6.791 246 2HG2 ILE 37 HG22 ILE 37 67.457 -4.026 6.120 247 3HG2 ILE 37 HG21 ILE 37 67.358 -3.406 7.769 248 1HD1 ILE 37 HD12 ILE 37 67.533 -5.751 5.457 249 2HD1 ILE 37 HD11 ILE 37 68.843 -5.164 4.432 250 3HD1 ILE 37 HD13 ILE 37 68.685 -6.891 4.759 251 H SER 38 HN SER 38 71.333 -6.302 7.764 252 HA SER 38 HA SER 38 73.487 -4.260 7.838 253 1HB SER 38 HB2 SER 38 73.988 -6.528 8.690 254 2HB SER 38 HB1 SER 38 73.579 -7.208 7.117 255 HG SER 38 HG SER 38 75.669 -5.391 7.747 256 H THR 39 HN THR 39 74.656 -3.680 5.909 257 HA THR 39 HA THR 39 73.010 -3.498 3.553 258 HB THR 39 HB THR 39 74.795 -2.318 2.553 259 HG1 THR 39 HG1 THR 39 76.927 -2.547 3.314 260 1HG2 THR 39 HG23 THR 39 74.293 -1.916 5.407 261 2HG2 THR 39 HG22 THR 39 75.856 -1.280 4.895 262 3HG2 THR 39 HG21 THR 39 74.380 -0.731 4.103 263 H LYS 40 HN LYS 40 75.007 -5.961 4.784 264 HA LYS 40 HA LYS 40 75.843 -7.127 2.261 265 1HB LYS 40 HB2 LYS 40 75.484 -8.548 4.914 266 2HB LYS 40 HB1 LYS 40 76.537 -9.021 3.579 267 1HG LYS 40 HG2 LYS 40 76.996 -6.281 4.565 268 2HG LYS 40 HG1 LYS 40 77.353 -7.544 5.742 269 1HD LYS 40 HD2 LYS 40 79.307 -7.897 4.686 270 2HD LYS 40 HD1 LYS 40 78.392 -8.472 3.291 271 1HE LYS 40 HE2 LYS 40 78.480 -5.540 3.529 272 2HE LYS 40 HE1 LYS 40 80.058 -6.283 3.274 273 1HZ LYS 40 HZ3 LYS 40 77.796 -7.185 1.642 274 2HZ LYS 40 HZ2 LYS 40 78.519 -5.694 1.268 275 3HZ LYS 40 HZ1 LYS 40 79.446 -7.117 1.255 276 H ALA 41 HN ALA 41 72.984 -7.303 4.271 277 HA ALA 41 HA ALA 41 71.899 -9.630 2.843 278 1HB ALA 41 HB2 ALA 41 71.398 -9.184 5.258 279 2HB ALA 41 HB1 ALA 41 70.517 -7.736 4.770 280 3HB ALA 41 HB3 ALA 41 69.945 -9.328 4.268 281 H LEU 42 HN LEU 42 72.292 -6.448 2.030 282 HA LEU 42 HA LEU 42 69.739 -5.714 0.985 283 1HB LEU 42 HB2 LEU 42 72.547 -4.828 0.614 284 2HB LEU 42 HB1 LEU 42 71.425 -4.426 -0.689 285 HG LEU 42 HG LEU 42 71.518 -2.655 1.068 286 1HD1 LEU 42 HD12 LEU 42 69.404 -3.378 -0.295 287 2HD1 LEU 42 HD11 LEU 42 68.828 -3.984 1.258 288 3HD1 LEU 42 HD13 LEU 42 69.211 -2.273 1.065 289 1HD2 LEU 42 HD22 LEU 42 71.670 -4.735 2.828 290 2HD2 LEU 42 HD21 LEU 42 71.198 -3.097 3.283 291 3HD2 LEU 42 HD23 LEU 42 69.963 -4.315 2.960 292 H GLY 43 HN GLY 43 72.496 -7.407 -0.518 293 1HA GLY 43 HA2 GLY 43 71.465 -7.619 -3.138 294 2HA GLY 43 HA1 GLY 43 72.542 -8.809 -2.403 295 H THR 44 HN THR 44 70.547 -9.280 -0.207 296 HA THR 44 HA THR 44 69.083 -11.419 -1.527 297 HB THR 44 HB THR 44 68.797 -10.345 1.297 298 HG1 THR 44 HG1 THR 44 70.538 -11.424 1.732 299 1HG2 THR 44 HG21 THR 44 67.382 -12.350 -0.185 300 2HG2 THR 44 HG23 THR 44 68.330 -13.141 1.075 301 3HG2 THR 44 HG22 THR 44 67.173 -11.881 1.501 302 H VAL 45 HN VAL 45 68.228 -8.270 -0.112 303 HA VAL 45 HA VAL 45 65.395 -8.527 -0.451 304 HB VAL 45 HB VAL 45 66.776 -5.873 -0.706 305 1HG1 VAL 45 HG12 VAL 45 64.181 -6.975 0.203 306 2HG1 VAL 45 HG11 VAL 45 64.830 -5.663 1.187 307 3HG1 VAL 45 HG13 VAL 45 64.546 -5.414 -0.536 308 1HG2 VAL 45 HG21 VAL 45 67.023 -7.818 1.516 309 2HG2 VAL 45 HG23 VAL 45 68.063 -6.464 1.086 310 3HG2 VAL 45 HG22 VAL 45 66.579 -6.179 1.992 311 H MET 46 HN MET 46 67.769 -6.750 -2.470 312 HA MET 46 HA MET 46 66.096 -6.000 -4.564 313 1HB MET 46 HB2 MET 46 68.977 -6.871 -4.502 314 2HB MET 46 HB1 MET 46 68.204 -6.478 -6.039 315 1HG MET 46 HG2 MET 46 68.357 -4.272 -5.616 316 2HG MET 46 HG1 MET 46 67.559 -4.473 -4.057 317 1HE MET 46 HE3 MET 46 68.929 -2.401 -4.084 318 2HE MET 46 HE2 MET 46 70.288 -2.356 -2.963 319 3HE MET 46 HE1 MET 46 70.587 -2.414 -4.699 320 H ARG 47 HN ARG 47 67.144 -9.203 -3.700 321 HA ARG 47 HA ARG 47 66.475 -10.426 -6.256 322 1HB ARG 47 HB2 ARG 47 66.970 -11.547 -3.487 323 2HB ARG 47 HB1 ARG 47 66.590 -12.563 -4.879 324 1HG ARG 47 HG2 ARG 47 68.641 -10.703 -5.632 325 2HG ARG 47 HG1 ARG 47 69.125 -11.507 -4.138 326 1HD ARG 47 HD2 ARG 47 68.113 -13.610 -5.561 327 2HD ARG 47 HD1 ARG 47 68.794 -12.621 -6.852 328 HE ARG 47 HE ARG 47 70.333 -14.204 -5.085 329 1HH1 ARG 47 HH11 ARG 47 71.091 -11.774 -3.695 330 2HH1 ARG 47 HH12 ARG 47 72.365 -11.118 -4.665 331 1HH2 ARG 47 HH21 ARG 47 71.578 -13.017 -7.458 332 2HH2 ARG 47 HH22 ARG 47 72.642 -11.821 -6.795 333 H MET 48 HN MET 48 64.865 -10.198 -3.074 334 HA MET 48 HA MET 48 62.503 -11.626 -3.924 335 1HB MET 48 HB2 MET 48 63.243 -9.906 -1.583 336 2HB MET 48 HB1 MET 48 61.537 -10.253 -1.869 337 1HG MET 48 HG2 MET 48 62.527 -11.935 -0.364 338 2HG MET 48 HG1 MET 48 62.033 -12.673 -1.889 339 1HE MET 48 HE2 MET 48 64.125 -12.329 0.668 340 2HE MET 48 HE1 MET 48 65.518 -13.336 0.282 341 3HE MET 48 HE3 MET 48 65.624 -11.577 0.129 342 H LEU 49 HN LEU 49 62.957 -8.136 -3.229 343 HA LEU 49 HA LEU 49 60.551 -7.143 -4.161 344 1HB LEU 49 HB2 LEU 49 63.147 -5.826 -4.968 345 2HB LEU 49 HB1 LEU 49 61.624 -5.060 -4.517 346 HG LEU 49 HG LEU 49 63.605 -6.469 -2.720 347 1HD1 LEU 49 HD11 LEU 49 62.739 -3.712 -3.257 348 2HD1 LEU 49 HD13 LEU 49 62.753 -4.124 -1.542 349 3HD1 LEU 49 HD12 LEU 49 64.222 -4.298 -2.503 350 1HD2 LEU 49 HD23 LEU 49 61.325 -7.279 -2.183 351 2HD2 LEU 49 HD22 LEU 49 61.947 -6.230 -0.907 352 3HD2 LEU 49 HD21 LEU 49 60.767 -5.610 -2.061 353 H GLY 50 HN GLY 50 63.417 -7.145 -6.310 354 1HA GLY 50 HA2 GLY 50 62.504 -8.670 -8.423 355 2HA GLY 50 HA1 GLY 50 61.704 -7.117 -8.669 356 H GLN 51 HN GLN 51 63.435 -5.211 -8.208 357 HA GLN 51 HA GLN 51 65.164 -5.032 -10.355 358 1HB GLN 51 HB2 GLN 51 66.307 -3.263 -9.195 359 2HB GLN 51 HB1 GLN 51 64.627 -3.216 -8.661 360 1HG GLN 51 HG2 GLN 51 65.479 -4.834 -6.771 361 2HG GLN 51 HG1 GLN 51 67.057 -4.156 -7.171 362 1HE2 GLN 51 HE22 GLN 51 64.644 -2.024 -4.834 363 2HE2 GLN 51 HE21 GLN 51 64.475 -3.689 -5.115 364 H ASN 52 HN ASN 52 66.785 -6.375 -10.968 365 HA ASN 52 HA ASN 52 68.446 -7.626 -8.816 366 1HB ASN 52 HB2 ASN 52 68.236 -8.735 -11.607 367 2HB ASN 52 HB1 ASN 52 68.647 -9.573 -10.110 368 1HD2 ASN 52 HD22 ASN 52 65.249 -10.077 -9.142 369 2HD2 ASN 52 HD21 ASN 52 66.852 -10.036 -8.585 370 HA PRO 53 HA PRO 53 71.212 -4.857 -11.219 371 1HB PRO 53 HB2 PRO 53 72.422 -3.788 -8.993 372 2HB PRO 53 HB1 PRO 53 70.945 -3.127 -9.718 373 1HG PRO 53 HG2 PRO 53 71.258 -4.718 -7.215 374 2HG PRO 53 HG1 PRO 53 70.006 -3.542 -7.648 375 1HD PRO 53 HD2 PRO 53 69.730 -6.359 -7.722 376 2HD PRO 53 HD1 PRO 53 68.622 -5.181 -8.460 377 H THR 54 HN THR 54 73.612 -4.964 -11.310 378 HA THR 54 HA THR 54 74.599 -7.626 -10.693 379 HB THR 54 HB THR 54 76.565 -6.985 -11.864 380 HG1 THR 54 HG1 THR 54 77.151 -5.136 -10.855 381 1HG2 THR 54 HG22 THR 54 74.400 -6.977 -13.189 382 2HG2 THR 54 HG21 THR 54 74.416 -5.219 -13.052 383 3HG2 THR 54 HG23 THR 54 75.718 -6.050 -13.902 384 H LYS 55 HN LYS 55 76.148 -8.197 -9.132 385 HA LYS 55 HA LYS 55 76.090 -7.084 -6.605 386 1HB LYS 55 HB2 LYS 55 78.438 -8.052 -6.316 387 2HB LYS 55 HB1 LYS 55 77.210 -9.179 -6.895 388 1HG LYS 55 HG2 LYS 55 78.003 -8.390 -9.273 389 2HG LYS 55 HG1 LYS 55 79.461 -7.894 -8.414 390 1HD LYS 55 HD2 LYS 55 80.136 -10.037 -8.071 391 2HD LYS 55 HD1 LYS 55 78.501 -10.592 -7.708 392 1HE LYS 55 HE2 LYS 55 79.014 -11.674 -9.743 393 2HE LYS 55 HE1 LYS 55 78.052 -10.281 -10.242 394 1HZ LYS 55 HZ3 LYS 55 81.017 -10.278 -10.132 395 2HZ LYS 55 HZ2 LYS 55 80.129 -10.623 -11.538 396 3HZ LYS 55 HZ1 LYS 55 80.012 -9.092 -10.811 397 H GLU 56 HN GLU 56 78.317 -6.181 -9.237 398 HA GLU 56 HA GLU 56 79.904 -4.325 -7.824 399 1HB GLU 56 HB2 GLU 56 78.953 -4.140 -10.700 400 2HB GLU 56 HB1 GLU 56 80.331 -3.279 -10.015 401 1HG GLU 56 HG2 GLU 56 81.622 -5.057 -10.499 402 2HG GLU 56 HG1 GLU 56 80.690 -6.000 -9.335 403 H GLU 57 HN GLU 57 76.844 -3.740 -9.586 404 HA GLU 57 HA GLU 57 76.707 -0.952 -8.915 405 1HB GLU 57 HB2 GLU 57 74.674 -2.990 -9.813 406 2HB GLU 57 HB1 GLU 57 74.186 -1.349 -9.391 407 1HG GLU 57 HG2 GLU 57 76.506 -1.207 -11.070 408 2HG GLU 57 HG1 GLU 57 75.313 -2.251 -11.844 409 H LEU 58 HN LEU 58 75.906 -3.854 -7.159 410 HA LEU 58 HA LEU 58 74.118 -2.616 -5.251 411 1HB LEU 58 HB2 LEU 58 74.097 -5.032 -5.536 412 2HB LEU 58 HB1 LEU 58 75.800 -5.135 -5.086 413 HG LEU 58 HG LEU 58 75.078 -4.004 -2.872 414 1HD1 LEU 58 HD13 LEU 58 72.424 -4.900 -4.017 415 2HD1 LEU 58 HD12 LEU 58 72.674 -4.596 -2.298 416 3HD1 LEU 58 HD11 LEU 58 72.864 -3.285 -3.463 417 1HD2 LEU 58 HD21 LEU 58 75.635 -6.504 -3.377 418 2HD2 LEU 58 HD23 LEU 58 74.797 -6.117 -1.875 419 3HD2 LEU 58 HD22 LEU 58 73.892 -6.750 -3.250 420 H ASP 59 HN ASP 59 77.600 -3.414 -5.175 421 HA ASP 59 HA ASP 59 78.101 -2.437 -2.550 422 1HB ASP 59 HB2 ASP 59 79.679 -3.210 -4.887 423 2HB ASP 59 HB1 ASP 59 80.422 -1.891 -3.982 424 H ALA 60 HN ALA 60 78.176 -0.776 -5.703 425 HA ALA 60 HA ALA 60 79.045 1.753 -4.628 426 1HB ALA 60 HB1 ALA 60 77.860 0.807 -7.204 427 2HB ALA 60 HB3 ALA 60 77.806 2.535 -6.858 428 3HB ALA 60 HB2 ALA 60 79.356 1.695 -6.918 429 H ILE 61 HN ILE 61 75.937 0.174 -4.884 430 HA ILE 61 HA ILE 61 74.373 2.590 -4.439 431 HB ILE 61 HB ILE 61 73.767 -0.368 -4.362 432 1HG1 ILE 61 HG12 ILE 61 72.735 1.924 -6.064 433 2HG1 ILE 61 HG11 ILE 61 73.991 0.787 -6.553 434 1HG2 ILE 61 HG21 ILE 61 72.337 1.761 -3.008 435 2HG2 ILE 61 HG23 ILE 61 71.339 1.047 -4.274 436 3HG2 ILE 61 HG22 ILE 61 72.013 0.028 -3.005 437 1HD1 ILE 61 HD13 ILE 61 72.213 -1.039 -5.963 438 2HD1 ILE 61 HD12 ILE 61 71.057 0.285 -6.113 439 3HD1 ILE 61 HD11 ILE 61 72.066 -0.166 -7.489 440 H ILE 62 HN ILE 62 75.802 0.083 -2.412 441 HA ILE 62 HA ILE 62 74.439 0.723 0.018 442 HB ILE 62 HB ILE 62 77.190 -0.445 -0.489 443 1HG1 ILE 62 HG12 ILE 62 74.938 -1.994 0.686 444 2HG1 ILE 62 HG11 ILE 62 74.773 -1.548 -1.012 445 1HG2 ILE 62 HG21 ILE 62 76.032 0.573 1.945 446 2HG2 ILE 62 HG23 ILE 62 76.190 -1.180 2.061 447 3HG2 ILE 62 HG22 ILE 62 77.605 -0.189 1.708 448 1HD1 ILE 62 HD12 ILE 62 77.439 -2.572 -0.255 449 2HD1 ILE 62 HD11 ILE 62 76.133 -3.752 -0.143 450 3HD1 ILE 62 HD13 ILE 62 76.454 -2.937 -1.672 451 H GLU 63 HN GLU 63 77.549 1.881 -1.309 452 HA GLU 63 HA GLU 63 78.126 3.649 0.880 453 1HB GLU 63 HB2 GLU 63 79.341 2.913 -1.586 454 2HB GLU 63 HB1 GLU 63 79.200 4.672 -1.580 455 1HG GLU 63 HG2 GLU 63 81.219 4.398 -0.460 456 2HG GLU 63 HG1 GLU 63 80.092 4.421 0.896 457 H GLU 64 HN GLU 64 76.121 3.959 -1.980 458 HA GLU 64 HA GLU 64 75.872 6.865 -1.731 459 1HB GLU 64 HB2 GLU 64 74.781 4.747 -3.516 460 2HB GLU 64 HB1 GLU 64 73.811 6.208 -3.334 461 1HG GLU 64 HG2 GLU 64 75.696 7.599 -3.999 462 2HG GLU 64 HG1 GLU 64 76.755 6.188 -4.061 463 H VAL 65 HN VAL 65 74.540 4.203 -0.114 464 HA VAL 65 HA VAL 65 72.016 5.629 0.527 465 HB VAL 65 HB VAL 65 73.024 2.839 1.126 466 1HG1 VAL 65 HG12 VAL 65 70.887 4.451 2.406 467 2HG1 VAL 65 HG11 VAL 65 70.432 2.815 1.929 468 3HG1 VAL 65 HG13 VAL 65 71.783 3.067 3.036 469 1HG2 VAL 65 HG23 VAL 65 71.067 4.112 -0.733 470 2HG2 VAL 65 HG22 VAL 65 72.119 2.719 -0.991 471 3HG2 VAL 65 HG21 VAL 65 70.634 2.541 -0.057 472 H ASP 66 HN ASP 66 74.889 4.277 2.151 473 HA ASP 66 HA ASP 66 74.105 5.420 4.730 474 1HB ASP 66 HB2 ASP 66 76.271 3.698 3.692 475 2HB ASP 66 HB1 ASP 66 76.749 4.775 5.005 476 H GLU 67 HN GLU 67 73.910 7.662 3.749 477 HA GLU 67 HA GLU 67 76.249 9.065 2.839 478 1HB GLU 67 HB2 GLU 67 73.482 9.763 3.640 479 2HB GLU 67 HB1 GLU 67 74.672 11.051 3.826 480 1HG GLU 67 HG2 GLU 67 74.964 9.600 1.298 481 2HG GLU 67 HG1 GLU 67 73.389 10.377 1.461 482 H ASP 68 HN ASP 68 75.376 7.926 5.905 483 HA ASP 68 HA ASP 68 76.903 10.047 7.319 484 1HB ASP 68 HB2 ASP 68 76.169 8.631 9.361 485 2HB ASP 68 HB1 ASP 68 74.920 9.529 8.498 486 H GLY 69 HN GLY 69 77.197 6.786 6.172 487 1HA GLY 69 HA2 GLY 69 79.113 5.418 6.098 488 2HA GLY 69 HA1 GLY 69 80.017 6.729 6.856 489 H SER 70 HN SER 70 77.096 5.177 8.136 490 HA SER 70 HA SER 70 78.446 4.738 10.693 491 1HB SER 70 HB2 SER 70 76.195 3.646 11.264 492 2HB SER 70 HB1 SER 70 76.155 5.360 10.857 493 HG SER 70 HG SER 70 75.005 3.252 9.608 494 H GLY 71 HN GLY 71 77.370 2.763 7.962 495 1HA GLY 71 HA2 GLY 71 78.594 0.717 7.400 496 2HA GLY 71 HA1 GLY 71 78.940 0.504 9.116 497 H THR 72 HN THR 72 75.766 1.548 8.675 498 HA THR 72 HA THR 72 74.687 -1.206 8.407 499 HB THR 72 HB THR 72 73.128 -0.274 10.439 500 HG1 THR 72 HG1 THR 72 74.201 1.416 11.136 501 1HG2 THR 72 HG23 THR 72 75.592 -1.976 10.336 502 2HG2 THR 72 HG22 THR 72 74.860 -1.627 11.902 503 3HG2 THR 72 HG21 THR 72 73.922 -2.446 10.654 504 H ILE 73 HN ILE 73 72.298 -1.160 8.061 505 HA ILE 73 HA ILE 73 71.461 1.436 6.827 506 HB ILE 73 HB ILE 73 70.697 -1.402 6.077 507 1HG1 ILE 73 HG12 ILE 73 73.002 -0.471 5.427 508 2HG1 ILE 73 HG11 ILE 73 71.994 -1.060 4.106 509 1HG2 ILE 73 HG22 ILE 73 69.680 1.298 5.222 510 2HG2 ILE 73 HG21 ILE 73 69.661 -0.052 4.087 511 3HG2 ILE 73 HG23 ILE 73 68.765 -0.163 5.602 512 1HD1 ILE 73 HD13 ILE 73 71.461 1.745 4.699 513 2HD1 ILE 73 HD12 ILE 73 73.153 1.475 4.285 514 3HD1 ILE 73 HD11 ILE 73 71.882 0.989 3.162 515 H ASP 74 HN ASP 74 69.403 2.205 7.328 516 HA ASP 74 HA ASP 74 67.864 0.619 9.346 517 1HB ASP 74 HB2 ASP 74 67.710 3.614 9.245 518 2HB ASP 74 HB1 ASP 74 67.465 2.530 10.616 519 H PHE 75 HN PHE 75 65.480 1.202 9.321 520 HA PHE 75 HA PHE 75 64.346 0.879 6.771 521 1HB PHE 75 HB2 PHE 75 63.248 0.688 9.120 522 2HB PHE 75 HB1 PHE 75 62.908 2.408 8.932 523 HD1 PHE 75 HD2 PHE 75 62.901 -0.500 6.564 524 HD2 PHE 75 HD1 PHE 75 60.686 2.745 8.298 525 HE1 PHE 75 HE2 PHE 75 60.967 -1.043 5.108 526 HE2 PHE 75 HE1 PHE 75 58.754 2.205 6.842 527 HZ PHE 75 HZ PHE 75 58.894 0.310 5.248 528 H GLU 76 HN GLU 76 65.254 3.849 8.446 529 HA GLU 76 HA GLU 76 63.899 5.656 6.666 530 1HB GLU 76 HB2 GLU 76 66.198 5.914 8.592 531 2HB GLU 76 HB1 GLU 76 65.795 7.251 7.514 532 1HG GLU 76 HG2 GLU 76 63.411 7.080 8.348 533 2HG GLU 76 HG1 GLU 76 63.992 5.942 9.564 534 H GLU 77 HN GLU 77 67.212 4.333 6.691 535 HA GLU 77 HA GLU 77 67.912 5.736 4.221 536 1HB GLU 77 HB2 GLU 77 69.304 3.539 5.784 537 2HB GLU 77 HB1 GLU 77 69.986 4.320 4.357 538 1HG GLU 77 HG2 GLU 77 69.923 6.494 5.466 539 2HG GLU 77 HG1 GLU 77 69.131 5.782 6.872 540 H PHE 78 HN PHE 78 66.168 2.928 4.973 541 HA PHE 78 HA PHE 78 66.926 1.250 2.760 542 1HB PHE 78 HB2 PHE 78 65.236 1.004 4.948 543 2HB PHE 78 HB1 PHE 78 64.122 1.035 3.581 544 HD1 PHE 78 HD1 PHE 78 67.057 -0.698 5.041 545 HD2 PHE 78 HD2 PHE 78 64.037 -0.761 1.989 546 HE1 PHE 78 HE1 PHE 78 67.664 -3.038 4.492 547 HE2 PHE 78 HE2 PHE 78 64.643 -3.103 1.438 548 HZ PHE 78 HZ PHE 78 66.456 -4.241 2.689 549 H LEU 79 HN LEU 79 63.980 3.237 3.203 550 HA LEU 79 HA LEU 79 62.929 3.075 0.638 551 1HB LEU 79 HB2 LEU 79 63.106 5.629 2.271 552 2HB LEU 79 HB1 LEU 79 61.920 5.268 1.015 553 HG LEU 79 HG LEU 79 62.248 3.715 3.600 554 1HD1 LEU 79 HD12 LEU 79 60.490 5.979 2.748 555 2HD1 LEU 79 HD11 LEU 79 59.801 4.735 3.792 556 3HD1 LEU 79 HD13 LEU 79 61.211 5.652 4.324 557 1HD2 LEU 79 HD21 LEU 79 61.436 2.390 1.646 558 2HD2 LEU 79 HD23 LEU 79 60.205 2.569 2.895 559 3HD2 LEU 79 HD22 LEU 79 60.128 3.553 1.435 560 H VAL 80 HN VAL 80 65.797 4.782 1.692 561 HA VAL 80 HA VAL 80 66.103 6.419 -0.669 562 HB VAL 80 HB VAL 80 68.051 5.477 1.448 563 1HG1 VAL 80 HG12 VAL 80 68.478 7.016 -1.088 564 2HG1 VAL 80 HG11 VAL 80 69.392 7.484 0.347 565 3HG1 VAL 80 HG13 VAL 80 69.537 5.848 -0.298 566 1HG2 VAL 80 HG21 VAL 80 66.639 8.088 0.837 567 2HG2 VAL 80 HG23 VAL 80 66.460 7.085 2.276 568 3HG2 VAL 80 HG22 VAL 80 67.966 7.955 1.990 569 H MET 81 HN MET 81 67.709 3.380 0.352 570 HA MET 81 HA MET 81 69.203 2.957 -2.002 571 1HB MET 81 HB2 MET 81 69.050 1.606 0.279 572 2HB MET 81 HB1 MET 81 67.935 0.607 -0.652 573 1HG MET 81 HG2 MET 81 69.616 0.208 -2.353 574 2HG MET 81 HG1 MET 81 70.725 1.341 -1.580 575 1HE MET 81 HE3 MET 81 71.175 1.116 1.062 576 2HE MET 81 HE2 MET 81 72.143 -0.316 1.405 577 3HE MET 81 HE1 MET 81 72.501 0.660 -0.015 578 H MET 82 HN MET 82 65.817 2.197 -1.296 579 HA MET 82 HA MET 82 65.303 0.642 -3.637 580 1HB MET 82 HB2 MET 82 63.405 2.439 -2.094 581 2HB MET 82 HB1 MET 82 62.932 1.165 -3.220 582 1HG MET 82 HG2 MET 82 64.654 0.647 -0.786 583 2HG MET 82 HG1 MET 82 62.896 0.503 -0.765 584 1HE MET 82 HE1 MET 82 66.111 -0.280 -2.211 585 2HE MET 82 HE3 MET 82 66.092 -1.810 -1.325 586 3HE MET 82 HE2 MET 82 66.009 -1.807 -3.084 587 H VAL 83 HN VAL 83 64.211 4.013 -3.089 588 HA VAL 83 HA VAL 83 63.653 4.577 -5.800 589 HB VAL 83 HB VAL 83 64.631 6.503 -3.669 590 1HG1 VAL 83 HG13 VAL 83 63.434 6.827 -6.402 591 2HG1 VAL 83 HG12 VAL 83 63.059 8.015 -5.156 592 3HG1 VAL 83 HG11 VAL 83 64.733 7.744 -5.638 593 1HG2 VAL 83 HG23 VAL 83 61.849 5.577 -4.456 594 2HG2 VAL 83 HG22 VAL 83 62.658 5.275 -2.919 595 3HG2 VAL 83 HG21 VAL 83 62.181 6.915 -3.355 596 H ARG 84 HN ARG 84 66.687 4.199 -4.224 597 HA ARG 84 HA ARG 84 68.292 5.872 -5.927 598 1HB ARG 84 HB2 ARG 84 68.795 3.619 -4.033 599 2HB ARG 84 HB1 ARG 84 70.062 4.000 -5.198 600 1HG ARG 84 HG2 ARG 84 69.263 6.497 -4.269 601 2HG ARG 84 HG1 ARG 84 69.220 5.485 -2.825 602 1HD ARG 84 HD2 ARG 84 71.468 5.452 -2.719 603 2HD ARG 84 HD1 ARG 84 71.578 4.881 -4.384 604 HE ARG 84 HE ARG 84 72.373 7.058 -4.805 605 1HH1 ARG 84 HH11 ARG 84 71.418 7.581 -1.777 606 2HH1 ARG 84 HH12 ARG 84 70.587 9.078 -2.037 607 1HH2 ARG 84 HH21 ARG 84 70.583 8.782 -5.492 608 2HH2 ARG 84 HH22 ARG 84 70.112 9.757 -4.140 609 H GLN 85 HN GLN 85 67.571 2.365 -6.034 610 HA GLN 85 HA GLN 85 68.985 1.943 -8.512 611 1HB GLN 85 HB2 GLN 85 67.668 0.335 -6.612 612 2HB GLN 85 HB1 GLN 85 66.803 0.076 -8.128 613 1HG GLN 85 HG2 GLN 85 69.618 0.141 -8.678 614 2HG GLN 85 HG1 GLN 85 69.327 -0.993 -7.359 615 1HE2 GLN 85 HE22 GLN 85 67.424 -1.733 -10.941 616 2HE2 GLN 85 HE21 GLN 85 67.715 -0.124 -10.482 617 H MET 86 HN MET 86 65.754 3.024 -7.717 618 HA MET 86 HA MET 86 64.545 2.511 -10.273 619 1HB MET 86 HB2 MET 86 63.931 4.517 -8.089 620 2HB MET 86 HB1 MET 86 62.940 4.344 -9.538 621 1HG MET 86 HG2 MET 86 62.312 2.130 -8.985 622 2HG MET 86 HG1 MET 86 63.614 1.967 -7.807 623 1HE MET 86 HE2 MET 86 62.494 1.025 -6.331 624 2HE MET 86 HE1 MET 86 62.340 2.060 -4.914 625 3HE MET 86 HE3 MET 86 60.895 1.387 -5.684 626 H LYS 87 HN LYS 87 66.262 5.331 -8.935 627 HA LYS 87 HA LYS 87 66.816 6.210 -11.709 628 1HB LYS 87 HB2 LYS 87 66.230 8.598 -10.971 629 2HB LYS 87 HB1 LYS 87 64.872 7.517 -11.289 630 1HG LYS 87 HG2 LYS 87 64.405 7.220 -9.010 631 2HG LYS 87 HG1 LYS 87 66.021 7.728 -8.516 632 1HD LYS 87 HD2 LYS 87 65.066 9.948 -9.865 633 2HD LYS 87 HD1 LYS 87 63.634 9.352 -9.025 634 1HE LYS 87 HE2 LYS 87 65.873 9.189 -7.241 635 2HE LYS 87 HE1 LYS 87 65.817 10.813 -7.928 636 1HZ LYS 87 HZ2 LYS 87 63.204 10.028 -7.317 637 2HZ LYS 87 HZ1 LYS 87 64.169 9.709 -5.955 638 3HZ LYS 87 HZ3 LYS 87 64.120 11.273 -6.610 639 H GLU 88 HN GLU 88 69.025 5.823 -11.391 640 HA GLU 88 HA GLU 88 70.382 6.864 -9.009 641 1HB GLU 88 HB2 GLU 88 70.968 4.966 -11.080 642 2HB GLU 88 HB1 GLU 88 72.258 6.168 -11.034 643 1HG GLU 88 HG2 GLU 88 72.550 5.807 -8.631 644 2HG GLU 88 HG1 GLU 88 71.206 4.665 -8.619 645 H ASP 89 HN ASP 89 69.847 7.840 -12.335 646 HA ASP 89 HA ASP 89 70.574 9.744 -13.518 647 1HB ASP 89 HB2 ASP 89 69.215 10.492 -11.248 648 2HB ASP 89 HB1 ASP 89 70.722 11.391 -11.081 649 H ALA 90 HN ALA 90 72.712 9.175 -14.076 650 HA ALA 90 HA ALA 90 74.797 10.797 -12.950 651 1HB ALA 90 HB3 ALA 90 74.323 8.268 -11.654 652 2HB ALA 90 HB2 ALA 90 75.892 8.227 -12.455 653 3HB ALA 90 HB1 ALA 90 75.539 9.488 -11.274 No H/Q in entry = 653 Start of MODEL 5 1 1H ALA 1 HT2 ALA 1 70.835 10.678 9.513 2 2H ALA 1 HT1 ALA 1 72.411 10.109 9.233 3 3H ALA 1 HT3 ALA 1 71.580 9.643 10.636 4 HA ALA 1 HA ALA 1 72.802 11.270 11.575 5 1HB ALA 1 HB1 ALA 1 72.899 12.339 8.761 6 2HB ALA 1 HB3 ALA 1 73.392 13.354 10.116 7 3HB ALA 1 HB2 ALA 1 74.233 11.837 9.799 8 H SER 2 HN SER 2 70.878 13.107 9.182 9 HA SER 2 HA SER 2 69.070 13.933 11.404 10 1HB SER 2 HB2 SER 2 70.541 15.796 11.269 11 2HB SER 2 HB1 SER 2 70.598 15.726 9.510 12 HG SER 2 HG SER 2 69.110 17.228 9.771 13 H MET 3 HN MET 3 69.151 15.328 8.174 14 HA MET 3 HA MET 3 66.890 13.603 7.326 15 1HB MET 3 HB2 MET 3 66.471 16.156 8.415 16 2HB MET 3 HB1 MET 3 66.341 16.378 6.670 17 1HG MET 3 HG2 MET 3 64.171 15.728 7.140 18 2HG MET 3 HG1 MET 3 64.899 14.149 6.847 19 1HE MET 3 HE3 MET 3 64.094 16.874 9.148 20 2HE MET 3 HE2 MET 3 62.608 15.970 9.430 21 3HE MET 3 HE1 MET 3 63.767 16.180 10.741 22 H THR 4 HN THR 4 69.051 13.090 6.070 23 HA THR 4 HA THR 4 70.077 14.852 4.106 24 HB THR 4 HB THR 4 70.720 12.743 2.882 25 HG1 THR 4 HG1 THR 4 70.130 10.804 3.822 26 1HG2 THR 4 HG23 THR 4 72.011 13.752 4.823 27 2HG2 THR 4 HG22 THR 4 71.223 12.562 5.858 28 3HG2 THR 4 HG21 THR 4 72.283 12.030 4.553 29 H ASP 5 HN ASP 5 69.600 14.973 1.805 30 HA ASP 5 HA ASP 5 66.779 15.130 1.239 31 1HB ASP 5 HB2 ASP 5 69.105 15.132 -0.707 32 2HB ASP 5 HB1 ASP 5 67.473 15.716 -1.032 33 H GLN 6 HN GLN 6 68.922 12.509 1.282 34 HA GLN 6 HA GLN 6 67.951 10.961 -0.922 35 1HB GLN 6 HB2 GLN 6 69.032 10.003 1.747 36 2HB GLN 6 HB1 GLN 6 68.894 9.030 0.282 37 1HG GLN 6 HG2 GLN 6 70.323 10.894 -0.829 38 2HG GLN 6 HG1 GLN 6 70.728 11.359 0.824 39 1HE2 GLN 6 HE22 GLN 6 71.924 7.717 1.162 40 2HE2 GLN 6 HE21 GLN 6 70.485 8.442 1.700 41 H GLN 7 HN GLN 7 66.967 11.039 2.514 42 HA GLN 7 HA GLN 7 64.770 9.175 2.046 43 1HB GLN 7 HB2 GLN 7 65.252 11.005 4.418 44 2HB GLN 7 HB1 GLN 7 64.194 9.594 4.377 45 1HG GLN 7 HG2 GLN 7 66.002 8.089 4.245 46 2HG GLN 7 HG1 GLN 7 67.125 9.342 3.717 47 1HE2 GLN 7 HE22 GLN 7 67.970 8.904 7.255 48 2HE2 GLN 7 HE21 GLN 7 68.208 8.106 5.776 49 H ALA 8 HN ALA 8 65.235 12.592 1.787 50 HA ALA 8 HA ALA 8 62.477 13.379 2.168 51 1HB ALA 8 HB1 ALA 8 64.832 14.701 0.803 52 2HB ALA 8 HB3 ALA 8 63.244 15.461 0.911 53 3HB ALA 8 HB2 ALA 8 64.142 15.084 2.381 54 H GLU 9 HN GLU 9 64.398 13.329 -0.861 55 HA GLU 9 HA GLU 9 62.100 13.454 -2.558 56 1HB GLU 9 HB2 GLU 9 64.482 13.977 -3.229 57 2HB GLU 9 HB1 GLU 9 64.784 12.239 -3.263 58 1HG GLU 9 HG2 GLU 9 62.357 12.904 -4.716 59 2HG GLU 9 HG1 GLU 9 63.743 13.792 -5.354 60 H ALA 10 HN ALA 10 64.098 10.676 -1.527 61 HA ALA 10 HA ALA 10 62.769 8.661 -2.979 62 1HB ALA 10 HB3 ALA 10 64.851 8.413 -1.542 63 2HB ALA 10 HB2 ALA 10 63.777 8.336 -0.144 64 3HB ALA 10 HB1 ALA 10 63.681 7.101 -1.400 65 H ARG 11 HN ARG 11 61.951 10.013 0.220 66 HA ARG 11 HA ARG 11 59.688 8.277 0.634 67 1HB ARG 11 HB2 ARG 11 60.971 9.709 2.367 68 2HB ARG 11 HB1 ARG 11 59.951 11.040 1.816 69 1HG ARG 11 HG2 ARG 11 57.936 9.755 2.357 70 2HG ARG 11 HG1 ARG 11 58.926 8.379 2.850 71 1HD ARG 11 HD2 ARG 11 59.926 9.705 4.647 72 2HD ARG 11 HD1 ARG 11 59.026 11.129 4.127 73 HE ARG 11 HE ARG 11 57.044 9.268 4.593 74 1HH1 ARG 11 HH21 ARG 11 59.549 8.579 6.487 75 2HH1 ARG 11 HH22 ARG 11 58.906 9.185 7.976 76 1HH2 ARG 11 HH11 ARG 11 56.282 10.872 6.465 77 2HH2 ARG 11 HH12 ARG 11 57.056 10.483 7.963 78 H ALA 12 HN ALA 12 60.093 11.429 -0.913 79 HA ALA 12 HA ALA 12 57.310 12.075 -1.116 80 1HB ALA 12 HB3 ALA 12 59.574 13.426 -1.682 81 2HB ALA 12 HB2 ALA 12 59.131 12.920 -3.312 82 3HB ALA 12 HB1 ALA 12 58.007 13.880 -2.351 83 H PHE 13 HN PHE 13 59.479 10.199 -3.209 84 HA PHE 13 HA PHE 13 57.451 9.852 -5.276 85 1HB PHE 13 HB2 PHE 13 59.933 9.773 -5.702 86 2HB PHE 13 HB1 PHE 13 59.980 8.237 -4.833 87 HD1 PHE 13 HD1 PHE 13 57.903 9.875 -7.503 88 HD2 PHE 13 HD2 PHE 13 59.870 6.313 -6.128 89 HE1 PHE 13 HE1 PHE 13 57.188 8.685 -9.560 90 HE2 PHE 13 HE2 PHE 13 59.155 5.123 -8.185 91 HZ PHE 13 HZ PHE 13 57.814 6.310 -9.900 92 H LEU 14 HN LEU 14 58.483 8.109 -2.407 93 HA LEU 14 HA LEU 14 56.785 5.791 -3.133 94 1HB LEU 14 HB2 LEU 14 58.394 6.202 -0.602 95 2HB LEU 14 HB1 LEU 14 57.776 4.680 -1.247 96 HG LEU 14 HG LEU 14 59.740 6.424 -2.750 97 1HD1 LEU 14 HD11 LEU 14 60.316 5.151 -0.383 98 2HD1 LEU 14 HD13 LEU 14 60.707 3.904 -1.567 99 3HD1 LEU 14 HD12 LEU 14 61.491 5.481 -1.654 100 1HD2 LEU 14 HD22 LEU 14 58.401 3.798 -3.156 101 2HD2 LEU 14 HD21 LEU 14 58.935 4.985 -4.348 102 3HD2 LEU 14 HD23 LEU 14 60.102 3.885 -3.614 103 H SER 15 HN SER 15 54.819 5.389 -2.172 104 HA SER 15 HA SER 15 53.833 7.461 -0.264 105 1HB SER 15 HB2 SER 15 52.519 5.738 -2.333 106 2HB SER 15 HB1 SER 15 51.573 6.250 -0.939 107 HG SER 15 HG SER 15 52.646 8.414 -1.564 108 H GLU 16 HN GLU 16 52.142 6.500 1.333 109 HA GLU 16 HA GLU 16 53.430 4.588 3.001 110 1HB GLU 16 HB2 GLU 16 50.491 5.340 2.896 111 2HB GLU 16 HB1 GLU 16 51.289 4.511 4.233 112 1HG GLU 16 HG2 GLU 16 52.922 6.549 4.198 113 2HG GLU 16 HG1 GLU 16 51.632 7.352 3.302 114 H GLU 17 HN GLU 17 51.599 4.158 0.142 115 HA GLU 17 HA GLU 17 50.484 1.558 0.706 116 1HB GLU 17 HB2 GLU 17 50.198 3.353 -1.329 117 2HB GLU 17 HB1 GLU 17 51.236 2.147 -2.091 118 1HG GLU 17 HG2 GLU 17 48.984 1.058 -0.507 119 2HG GLU 17 HG1 GLU 17 48.527 1.934 -1.968 120 H MET 18 HN MET 18 53.143 2.301 -1.576 121 HA MET 18 HA MET 18 54.155 -0.392 -1.500 122 1HB MET 18 HB2 MET 18 55.515 2.183 -2.356 123 2HB MET 18 HB1 MET 18 56.113 0.559 -2.694 124 1HG MET 18 HG2 MET 18 54.129 0.047 -4.004 125 2HG MET 18 HG1 MET 18 53.402 1.595 -3.570 126 1HE MET 18 HE1 MET 18 55.845 -0.431 -5.103 127 2HE MET 18 HE3 MET 18 55.661 0.148 -6.765 128 3HE MET 18 HE2 MET 18 57.085 0.590 -5.827 129 H ILE 19 HN ILE 19 55.228 2.632 0.050 130 HA ILE 19 HA ILE 19 57.519 1.666 1.363 131 HB ILE 19 HB ILE 19 55.472 3.703 2.281 132 1HG1 ILE 19 HG12 ILE 19 58.156 3.901 0.877 133 2HG1 ILE 19 HG11 ILE 19 56.578 4.315 0.202 134 1HG2 ILE 19 HG22 ILE 19 58.168 2.908 3.391 135 2HG2 ILE 19 HG21 ILE 19 57.476 4.504 3.678 136 3HG2 ILE 19 HG23 ILE 19 56.635 3.062 4.252 137 1HD1 ILE 19 HD12 ILE 19 56.679 5.793 2.551 138 2HD1 ILE 19 HD11 ILE 19 58.327 5.897 1.931 139 3HD1 ILE 19 HD13 ILE 19 56.972 6.418 0.929 140 H ALA 20 HN ALA 20 54.136 1.108 2.081 141 HA ALA 20 HA ALA 20 54.507 0.168 4.784 142 1HB ALA 20 HB1 ALA 20 52.332 -0.300 2.728 143 2HB ALA 20 HB3 ALA 20 52.261 -0.954 4.366 144 3HB ALA 20 HB2 ALA 20 52.286 0.792 4.113 145 H GLU 21 HN GLU 21 54.415 -1.415 1.615 146 HA GLU 21 HA GLU 21 54.697 -4.092 2.650 147 1HB GLU 21 HB2 GLU 21 53.888 -4.121 0.481 148 2HB GLU 21 HB1 GLU 21 54.884 -2.759 -0.022 149 1HG GLU 21 HG2 GLU 21 55.687 -4.793 -1.101 150 2HG GLU 21 HG1 GLU 21 56.887 -4.237 0.065 151 H PHE 22 HN PHE 22 56.978 -1.574 1.662 152 HA PHE 22 HA PHE 22 59.336 -3.186 1.641 153 1HB PHE 22 HB2 PHE 22 58.838 -0.246 2.107 154 2HB PHE 22 HB1 PHE 22 60.462 -0.925 2.209 155 HD1 PHE 22 HD1 PHE 22 60.530 -2.954 0.141 156 HD2 PHE 22 HD2 PHE 22 58.673 0.920 0.080 157 HE1 PHE 22 HE1 PHE 22 60.707 -2.908 -2.330 158 HE2 PHE 22 HE2 PHE 22 58.852 0.965 -2.393 159 HZ PHE 22 HZ PHE 22 59.868 -0.948 -3.599 160 H LYS 23 HN LYS 23 57.496 -1.724 4.249 161 HA LYS 23 HA LYS 23 59.448 -1.854 6.312 162 1HB LYS 23 HB2 LYS 23 56.654 -1.331 6.112 163 2HB LYS 23 HB1 LYS 23 56.876 -2.549 7.369 164 1HG LYS 23 HG2 LYS 23 58.403 0.066 7.203 165 2HG LYS 23 HG1 LYS 23 57.035 -0.237 8.273 166 1HD LYS 23 HD2 LYS 23 58.288 -2.110 9.319 167 2HD LYS 23 HD1 LYS 23 59.670 -1.738 8.285 168 1HE LYS 23 HE2 LYS 23 60.207 0.167 9.450 169 2HE LYS 23 HE1 LYS 23 58.526 0.521 9.850 170 1HZ LYS 23 HZ3 LYS 23 58.760 -1.635 11.261 171 2HZ LYS 23 HZ2 LYS 23 60.419 -1.275 11.194 172 3HZ LYS 23 HZ1 LYS 23 59.330 -0.156 11.864 173 H ALA 24 HN ALA 24 57.504 -4.346 4.805 174 HA ALA 24 HA ALA 24 57.904 -6.340 6.864 175 1HB ALA 24 HB1 ALA 24 56.210 -6.228 4.818 176 2HB ALA 24 HB3 ALA 24 57.501 -7.109 3.999 177 3HB ALA 24 HB2 ALA 24 56.761 -7.780 5.453 178 H ALA 25 HN ALA 25 59.593 -5.522 3.843 179 HA ALA 25 HA ALA 25 61.434 -7.720 3.917 180 1HB ALA 25 HB2 ALA 25 60.964 -6.116 1.968 181 2HB ALA 25 HB1 ALA 25 62.048 -4.988 2.780 182 3HB ALA 25 HB3 ALA 25 62.652 -6.552 2.235 183 H PHE 26 HN PHE 26 61.668 -4.380 5.147 184 HA PHE 26 HA PHE 26 64.313 -4.443 6.094 185 1HB PHE 26 HB2 PHE 26 62.711 -2.471 6.096 186 2HB PHE 26 HB1 PHE 26 62.003 -3.150 7.562 187 HD1 PHE 26 HD1 PHE 26 65.460 -2.582 6.208 188 HD2 PHE 26 HD2 PHE 26 62.774 -2.211 9.537 189 HE1 PHE 26 HE1 PHE 26 67.274 -1.558 7.555 190 HE2 PHE 26 HE2 PHE 26 64.587 -1.187 10.887 191 HZ PHE 26 HZ PHE 26 66.837 -0.860 9.895 192 H ASP 27 HN ASP 27 61.422 -5.036 8.127 193 HA ASP 27 HA ASP 27 62.818 -6.057 10.358 194 1HB ASP 27 HB2 ASP 27 60.693 -7.003 11.069 195 2HB ASP 27 HB1 ASP 27 60.400 -5.426 10.332 196 H MET 28 HN MET 28 62.380 -7.498 7.280 197 HA MET 28 HA MET 28 62.481 -10.263 8.183 198 1HB MET 28 HB2 MET 28 62.190 -8.847 5.671 199 2HB MET 28 HB1 MET 28 63.352 -10.165 5.518 200 1HG MET 28 HG2 MET 28 61.776 -11.785 5.924 201 2HG MET 28 HG1 MET 28 60.847 -10.756 7.015 202 1HE MET 28 HE2 MET 28 61.973 -11.376 3.392 203 2HE MET 28 HE1 MET 28 60.961 -10.294 2.440 204 3HE MET 28 HE3 MET 28 62.183 -9.633 3.536 205 H PHE 29 HN PHE 29 64.880 -7.859 7.181 206 HA PHE 29 HA PHE 29 66.994 -9.945 7.386 207 1HB PHE 29 HB2 PHE 29 67.058 -7.107 6.331 208 2HB PHE 29 HB1 PHE 29 68.479 -8.143 6.449 209 HD1 PHE 29 HD2 PHE 29 65.024 -8.039 5.020 210 HD2 PHE 29 HD1 PHE 29 68.990 -9.653 4.718 211 HE1 PHE 29 HE2 PHE 29 64.427 -9.097 2.859 212 HE2 PHE 29 HE1 PHE 29 68.395 -10.714 2.557 213 HZ PHE 29 HZ PHE 29 66.113 -10.435 1.627 214 H ASP 30 HN ASP 30 65.461 -8.174 9.574 215 HA ASP 30 HA ASP 30 67.984 -7.504 11.040 216 1HB ASP 30 HB2 ASP 30 66.819 -5.701 12.151 217 2HB ASP 30 HB1 ASP 30 66.568 -5.518 10.415 218 H ALA 31 HN ALA 31 67.612 -9.946 11.544 219 HA ALA 31 HA ALA 31 65.467 -10.690 13.315 220 1HB ALA 31 HB1 ALA 31 68.213 -11.931 12.963 221 2HB ALA 31 HB3 ALA 31 66.848 -12.688 13.783 222 3HB ALA 31 HB2 ALA 31 66.765 -12.361 12.052 223 H ASP 32 HN ASP 32 68.110 -8.667 13.800 224 HA ASP 32 HA ASP 32 68.749 -9.374 16.539 225 1HB ASP 32 HB2 ASP 32 69.980 -7.277 16.583 226 2HB ASP 32 HB1 ASP 32 70.269 -8.068 15.033 227 H GLY 33 HN GLY 33 65.969 -8.120 15.212 228 1HA GLY 33 HA2 GLY 33 64.144 -6.946 16.110 229 2HA GLY 33 HA1 GLY 33 64.688 -7.586 17.661 230 H GLY 34 HN GLY 34 66.900 -5.614 15.869 231 1HA GLY 34 HA2 GLY 34 66.609 -3.506 17.947 232 2HA GLY 34 HA1 GLY 34 68.024 -3.736 16.918 233 H GLY 35 HN GLY 35 66.360 -4.060 14.486 234 1HA GLY 35 HA2 GLY 35 64.825 -2.646 13.184 235 2HA GLY 35 HA1 GLY 35 65.278 -1.289 14.215 236 H ASP 36 HN ASP 36 67.524 -3.622 12.786 237 HA ASP 36 HA ASP 36 68.348 -1.723 10.704 238 1HB ASP 36 HB2 ASP 36 70.750 -1.761 11.584 239 2HB ASP 36 HB1 ASP 36 69.613 -0.760 12.488 240 H ILE 37 HN ILE 37 69.600 -2.746 9.093 241 HA ILE 37 HA ILE 37 70.086 -5.666 9.519 242 HB ILE 37 HB ILE 37 68.345 -5.802 8.010 243 1HG1 ILE 37 HG12 ILE 37 70.733 -5.222 6.229 244 2HG1 ILE 37 HG11 ILE 37 70.203 -6.802 6.810 245 1HG2 ILE 37 HG21 ILE 37 69.267 -3.123 6.949 246 2HG2 ILE 37 HG23 ILE 37 67.937 -4.046 6.247 247 3HG2 ILE 37 HG22 ILE 37 67.824 -3.457 7.905 248 1HD1 ILE 37 HD11 ILE 37 67.947 -5.640 5.576 249 2HD1 ILE 37 HD13 ILE 37 69.304 -5.325 4.494 250 3HD1 ILE 37 HD12 ILE 37 68.921 -6.980 4.969 251 H SER 38 HN SER 38 71.727 -6.493 7.845 252 HA SER 38 HA SER 38 74.061 -4.712 7.949 253 1HB SER 38 HB2 SER 38 74.234 -7.263 6.450 254 2HB SER 38 HB1 SER 38 75.310 -6.607 7.680 255 HG SER 38 HG SER 38 74.111 -8.454 8.387 256 H THR 39 HN THR 39 75.098 -3.822 6.133 257 HA THR 39 HA THR 39 73.428 -3.228 3.862 258 HB THR 39 HB THR 39 75.670 -2.356 2.912 259 HG1 THR 39 HG1 THR 39 76.897 -3.751 4.330 260 1HG2 THR 39 HG22 THR 39 74.523 -1.398 5.544 261 2HG2 THR 39 HG21 THR 39 75.691 -0.475 4.599 262 3HG2 THR 39 HG23 THR 39 74.101 -0.838 3.925 263 H LYS 40 HN LYS 40 75.700 -5.764 4.579 264 HA LYS 40 HA LYS 40 76.130 -6.553 1.809 265 1HB LYS 40 HB2 LYS 40 77.302 -8.437 2.710 266 2HB LYS 40 HB1 LYS 40 77.672 -7.078 3.773 267 1HG LYS 40 HG2 LYS 40 75.924 -7.812 5.342 268 2HG LYS 40 HG1 LYS 40 75.527 -9.162 4.279 269 1HD LYS 40 HD2 LYS 40 78.271 -8.718 5.486 270 2HD LYS 40 HD1 LYS 40 77.053 -9.788 6.179 271 1HE LYS 40 HE2 LYS 40 76.995 -11.074 4.063 272 2HE LYS 40 HE1 LYS 40 78.248 -10.023 3.401 273 1HZ LYS 40 HZ3 LYS 40 78.549 -11.641 5.872 274 2HZ LYS 40 HZ2 LYS 40 79.113 -12.115 4.342 275 3HZ LYS 40 HZ1 LYS 40 79.756 -10.736 5.097 276 H ALA 41 HN ALA 41 73.512 -6.813 3.926 277 HA ALA 41 HA ALA 41 72.538 -9.377 2.840 278 1HB ALA 41 HB1 ALA 41 71.959 -7.718 5.144 279 2HB ALA 41 HB3 ALA 41 70.474 -8.114 4.279 280 3HB ALA 41 HB2 ALA 41 71.530 -9.403 4.857 281 H LEU 42 HN LEU 42 72.370 -6.044 2.072 282 HA LEU 42 HA LEU 42 69.772 -5.834 0.943 283 1HB LEU 42 HB2 LEU 42 72.404 -4.493 0.365 284 2HB LEU 42 HB1 LEU 42 71.007 -4.172 -0.655 285 HG LEU 42 HG LEU 42 70.120 -2.778 0.885 286 1HD1 LEU 42 HD11 LEU 42 70.689 -4.967 2.905 287 2HD1 LEU 42 HD13 LEU 42 69.893 -3.449 3.320 288 3HD1 LEU 42 HD12 LEU 42 69.135 -4.560 2.179 289 1HD2 LEU 42 HD23 LEU 42 72.840 -3.334 2.007 290 2HD2 LEU 42 HD22 LEU 42 72.218 -1.859 1.267 291 3HD2 LEU 42 HD21 LEU 42 71.734 -2.297 2.906 292 H GLY 43 HN GLY 43 72.841 -6.885 -0.570 293 1HA GLY 43 HA2 GLY 43 71.966 -7.316 -3.182 294 2HA GLY 43 HA1 GLY 43 73.132 -8.373 -2.379 295 H THR 44 HN THR 44 71.382 -9.276 -0.301 296 HA THR 44 HA THR 44 69.994 -11.391 -1.739 297 HB THR 44 HB THR 44 70.226 -10.646 1.184 298 HG1 THR 44 HG1 THR 44 72.017 -11.649 0.492 299 1HG2 THR 44 HG21 THR 44 68.717 -12.968 -0.050 300 2HG2 THR 44 HG23 THR 44 69.045 -12.769 1.671 301 3HG2 THR 44 HG22 THR 44 68.002 -11.620 0.835 302 H VAL 45 HN VAL 45 69.044 -8.442 -0.006 303 HA VAL 45 HA VAL 45 66.217 -8.982 -0.047 304 HB VAL 45 HB VAL 45 67.531 -6.254 -0.076 305 1HG1 VAL 45 HG11 VAL 45 64.889 -6.908 -0.179 306 2HG1 VAL 45 HG13 VAL 45 65.143 -6.869 1.566 307 3HG1 VAL 45 HG12 VAL 45 65.502 -5.444 0.592 308 1HG2 VAL 45 HG22 VAL 45 68.110 -8.270 1.721 309 2HG2 VAL 45 HG21 VAL 45 68.244 -6.544 2.061 310 3HG2 VAL 45 HG23 VAL 45 66.785 -7.423 2.519 311 H MET 46 HN MET 46 68.442 -7.981 -2.490 312 HA MET 46 HA MET 46 66.671 -6.526 -4.195 313 1HB MET 46 HB2 MET 46 69.012 -8.304 -4.952 314 2HB MET 46 HB1 MET 46 68.258 -7.098 -5.997 315 1HG MET 46 HG2 MET 46 69.634 -6.542 -3.350 316 2HG MET 46 HG1 MET 46 70.280 -6.172 -4.950 317 1HE MET 46 HE2 MET 46 70.457 -3.997 -3.190 318 2HE MET 46 HE1 MET 46 70.556 -3.621 -4.908 319 3HE MET 46 HE3 MET 46 69.566 -2.621 -3.837 320 H ARG 47 HN ARG 47 67.814 -9.850 -4.858 321 HA ARG 47 HA ARG 47 65.844 -10.588 -6.675 322 1HB ARG 47 HB2 ARG 47 67.652 -12.005 -4.858 323 2HB ARG 47 HB1 ARG 47 66.166 -12.902 -5.173 324 1HG ARG 47 HG2 ARG 47 67.351 -11.647 -7.563 325 2HG ARG 47 HG1 ARG 47 68.352 -12.899 -6.830 326 1HD ARG 47 HD2 ARG 47 65.426 -13.425 -7.215 327 2HD ARG 47 HD1 ARG 47 66.505 -13.550 -8.604 328 HE ARG 47 HE ARG 47 66.283 -15.506 -6.548 329 1HH1 ARG 47 HH11 ARG 47 67.887 -15.168 -9.310 330 2HH1 ARG 47 HH12 ARG 47 69.429 -15.747 -8.774 331 1HH2 ARG 47 HH21 ARG 47 68.599 -15.630 -5.410 332 2HH2 ARG 47 HH22 ARG 47 69.832 -16.008 -6.565 333 H MET 48 HN MET 48 65.580 -10.376 -3.168 334 HA MET 48 HA MET 48 63.105 -11.760 -2.859 335 1HB MET 48 HB2 MET 48 64.322 -9.471 -1.289 336 2HB MET 48 HB1 MET 48 62.863 -10.331 -0.789 337 1HG MET 48 HG2 MET 48 65.241 -11.986 -1.490 338 2HG MET 48 HG1 MET 48 65.304 -11.089 0.027 339 1HE MET 48 HE2 MET 48 65.644 -13.233 1.168 340 2HE MET 48 HE1 MET 48 64.574 -12.263 2.179 341 3HE MET 48 HE3 MET 48 64.278 -13.996 1.979 342 H LEU 49 HN LEU 49 63.353 -8.221 -2.499 343 HA LEU 49 HA LEU 49 60.707 -7.576 -2.978 344 1HB LEU 49 HB2 LEU 49 62.970 -5.961 -4.176 345 2HB LEU 49 HB1 LEU 49 61.420 -5.372 -3.576 346 HG LEU 49 HG LEU 49 63.730 -6.475 -1.966 347 1HD1 LEU 49 HD12 LEU 49 62.406 -3.836 -2.374 348 2HD1 LEU 49 HD11 LEU 49 62.967 -4.210 -0.744 349 3HD1 LEU 49 HD13 LEU 49 64.106 -4.209 -2.091 350 1HD2 LEU 49 HD22 LEU 49 60.900 -5.867 -1.050 351 2HD2 LEU 49 HD21 LEU 49 61.626 -7.472 -1.142 352 3HD2 LEU 49 HD23 LEU 49 62.250 -6.286 0.006 353 H GLY 50 HN GLY 50 63.105 -7.191 -5.604 354 1HA GLY 50 HA2 GLY 50 61.966 -8.872 -7.522 355 2HA GLY 50 HA1 GLY 50 61.060 -7.363 -7.640 356 H GLN 51 HN GLN 51 62.923 -5.429 -7.273 357 HA GLN 51 HA GLN 51 64.205 -5.165 -9.753 358 1HB GLN 51 HB2 GLN 51 65.644 -3.453 -8.626 359 2HB GLN 51 HB1 GLN 51 63.930 -3.259 -8.257 360 1HG GLN 51 HG2 GLN 51 64.248 -4.480 -6.133 361 2HG GLN 51 HG1 GLN 51 65.964 -4.664 -6.497 362 1HE2 GLN 51 HE21 GLN 51 63.826 -1.797 -6.933 363 2HE2 GLN 51 HE22 GLN 51 64.757 -0.769 -5.955 364 H ASN 52 HN ASN 52 66.392 -5.499 -10.433 365 HA ASN 52 HA ASN 52 68.154 -7.061 -8.637 366 1HB ASN 52 HB2 ASN 52 67.706 -8.098 -11.423 367 2HB ASN 52 HB1 ASN 52 68.306 -8.954 -10.002 368 1HD2 ASN 52 HD22 ASN 52 65.075 -9.818 -8.823 369 2HD2 ASN 52 HD21 ASN 52 66.739 -9.797 -8.483 370 HA PRO 53 HA PRO 53 70.441 -4.030 -11.193 371 1HB PRO 53 HB2 PRO 53 71.935 -3.085 -9.087 372 2HB PRO 53 HB1 PRO 53 70.342 -2.443 -9.522 373 1HG PRO 53 HG2 PRO 53 71.091 -4.214 -7.243 374 2HG PRO 53 HG1 PRO 53 69.745 -3.071 -7.381 375 1HD PRO 53 HD2 PRO 53 69.567 -5.882 -7.659 376 2HD PRO 53 HD1 PRO 53 68.317 -4.705 -8.118 377 H THR 54 HN THR 54 72.883 -3.903 -11.475 378 HA THR 54 HA THR 54 74.026 -6.571 -11.441 379 HB THR 54 HB THR 54 76.103 -5.304 -12.251 380 HG1 THR 54 HG1 THR 54 76.029 -3.233 -12.063 381 1HG2 THR 54 HG22 THR 54 73.432 -5.090 -13.654 382 2HG2 THR 54 HG21 THR 54 74.960 -4.679 -14.435 383 3HG2 THR 54 HG23 THR 54 74.672 -6.326 -13.875 384 H LYS 55 HN LYS 55 75.456 -7.431 -9.965 385 HA LYS 55 HA LYS 55 75.645 -6.539 -7.339 386 1HB LYS 55 HB2 LYS 55 77.174 -8.392 -9.034 387 2HB LYS 55 HB1 LYS 55 78.116 -7.712 -7.707 388 1HG LYS 55 HG2 LYS 55 75.349 -8.729 -7.152 389 2HG LYS 55 HG1 LYS 55 76.672 -9.885 -7.313 390 1HD LYS 55 HD2 LYS 55 77.534 -9.324 -5.303 391 2HD LYS 55 HD1 LYS 55 77.400 -7.599 -5.645 392 1HE LYS 55 HE2 LYS 55 75.806 -7.661 -4.013 393 2HE LYS 55 HE1 LYS 55 74.776 -8.238 -5.324 394 1HZ LYS 55 HZ3 LYS 55 76.401 -10.121 -3.738 395 2HZ LYS 55 HZ2 LYS 55 74.885 -9.596 -3.176 396 3HZ LYS 55 HZ1 LYS 55 75.007 -10.428 -4.653 397 H GLU 56 HN GLU 56 77.519 -5.482 -10.122 398 HA GLU 56 HA GLU 56 79.579 -4.091 -8.709 399 1HB GLU 56 HB2 GLU 56 79.607 -4.586 -11.165 400 2HB GLU 56 HB1 GLU 56 78.360 -3.357 -11.388 401 1HG GLU 56 HG2 GLU 56 79.861 -1.678 -11.250 402 2HG GLU 56 HG1 GLU 56 80.596 -2.362 -9.799 403 H GLU 57 HN GLU 57 76.862 -2.535 -10.444 404 HA GLU 57 HA GLU 57 77.038 -0.034 -9.202 405 1HB GLU 57 HB2 GLU 57 75.006 -1.510 -10.695 406 2HB GLU 57 HB1 GLU 57 74.297 -0.425 -9.498 407 1HG GLU 57 HG2 GLU 57 75.412 1.476 -10.416 408 2HG GLU 57 HG1 GLU 57 76.466 0.465 -11.408 409 H LEU 58 HN LEU 58 75.879 -3.037 -7.884 410 HA LEU 58 HA LEU 58 74.275 -1.982 -5.754 411 1HB LEU 58 HB2 LEU 58 74.163 -4.343 -6.330 412 2HB LEU 58 HB1 LEU 58 75.871 -4.553 -5.946 413 HG LEU 58 HG LEU 58 74.319 -3.345 -3.761 414 1HD1 LEU 58 HD12 LEU 58 72.980 -5.339 -5.129 415 2HD1 LEU 58 HD11 LEU 58 73.826 -6.238 -3.871 416 3HD1 LEU 58 HD13 LEU 58 72.730 -4.928 -3.433 417 1HD2 LEU 58 HD23 LEU 58 76.655 -4.934 -4.195 418 2HD2 LEU 58 HD22 LEU 58 76.101 -4.210 -2.685 419 3HD2 LEU 58 HD21 LEU 58 75.583 -5.838 -3.126 420 H ASP 59 HN ASP 59 77.711 -2.982 -5.832 421 HA ASP 59 HA ASP 59 78.350 -2.342 -3.157 422 1HB ASP 59 HB2 ASP 59 79.771 -3.036 -5.519 423 2HB ASP 59 HB1 ASP 59 80.534 -1.586 -4.864 424 H ALA 60 HN ALA 60 78.441 -0.256 -6.054 425 HA ALA 60 HA ALA 60 79.344 2.092 -4.674 426 1HB ALA 60 HB3 ALA 60 78.503 1.390 -7.333 427 2HB ALA 60 HB2 ALA 60 77.677 2.869 -6.842 428 3HB ALA 60 HB1 ALA 60 79.439 2.793 -6.812 429 H ILE 61 HN ILE 61 76.206 0.593 -5.040 430 HA ILE 61 HA ILE 61 74.665 2.913 -4.235 431 HB ILE 61 HB ILE 61 74.067 -0.050 -4.377 432 1HG1 ILE 61 HG12 ILE 61 72.647 2.140 -5.859 433 2HG1 ILE 61 HG11 ILE 61 74.259 1.661 -6.393 434 1HG2 ILE 61 HG22 ILE 61 72.549 2.153 -3.076 435 2HG2 ILE 61 HG21 ILE 61 71.622 1.071 -4.113 436 3HG2 ILE 61 HG23 ILE 61 72.524 0.421 -2.746 437 1HD1 ILE 61 HD13 ILE 61 72.696 -0.697 -5.852 438 2HD1 ILE 61 HD12 ILE 61 71.803 0.358 -6.948 439 3HD1 ILE 61 HD11 ILE 61 73.426 -0.184 -7.374 440 H ILE 62 HN ILE 62 76.335 0.328 -2.546 441 HA ILE 62 HA ILE 62 75.065 0.520 -0.015 442 HB ILE 62 HB ILE 62 78.013 0.027 -0.525 443 1HG1 ILE 62 HG12 ILE 62 75.614 -1.824 -0.619 444 2HG1 ILE 62 HG11 ILE 62 76.752 -1.484 -1.924 445 1HG2 ILE 62 HG21 ILE 62 77.298 0.421 1.846 446 2HG2 ILE 62 HG23 ILE 62 76.188 -0.942 1.693 447 3HG2 ILE 62 HG22 ILE 62 77.927 -1.204 1.570 448 1HD1 ILE 62 HD12 ILE 62 78.537 -2.351 -0.185 449 2HD1 ILE 62 HD11 ILE 62 77.142 -3.145 0.544 450 3HD1 ILE 62 HD13 ILE 62 77.588 -3.504 -1.125 451 H GLU 63 HN GLU 63 78.000 2.220 -1.173 452 HA GLU 63 HA GLU 63 78.204 3.907 1.146 453 1HB GLU 63 HB2 GLU 63 79.716 3.449 -1.175 454 2HB GLU 63 HB1 GLU 63 79.247 5.148 -1.264 455 1HG GLU 63 HG2 GLU 63 79.933 4.974 1.360 456 2HG GLU 63 HG1 GLU 63 81.031 3.779 0.666 457 H GLU 64 HN GLU 64 75.998 3.892 -1.437 458 HA GLU 64 HA GLU 64 75.481 6.804 -1.288 459 1HB GLU 64 HB2 GLU 64 74.172 4.607 -2.919 460 2HB GLU 64 HB1 GLU 64 73.770 6.322 -3.035 461 1HG GLU 64 HG2 GLU 64 76.650 5.645 -3.268 462 2HG GLU 64 HG1 GLU 64 75.626 5.136 -4.611 463 H VAL 65 HN VAL 65 74.304 3.822 0.029 464 HA VAL 65 HA VAL 65 71.740 5.041 0.865 465 HB VAL 65 HB VAL 65 72.793 2.318 1.651 466 1HG1 VAL 65 HG13 VAL 65 70.158 3.740 1.632 467 2HG1 VAL 65 HG12 VAL 65 70.171 1.994 1.384 468 3HG1 VAL 65 HG11 VAL 65 70.848 2.680 2.862 469 1HG2 VAL 65 HG21 VAL 65 72.083 3.308 -0.989 470 2HG2 VAL 65 HG23 VAL 65 72.740 1.738 -0.530 471 3HG2 VAL 65 HG22 VAL 65 70.999 2.012 -0.482 472 H ASP 66 HN ASP 66 74.841 4.030 2.221 473 HA ASP 66 HA ASP 66 74.000 4.607 4.969 474 1HB ASP 66 HB2 ASP 66 76.340 3.446 3.632 475 2HB ASP 66 HB1 ASP 66 76.765 4.496 4.983 476 H GLU 67 HN GLU 67 73.311 6.867 4.436 477 HA GLU 67 HA GLU 67 75.146 8.864 3.548 478 1HB GLU 67 HB2 GLU 67 73.557 10.443 4.788 479 2HB GLU 67 HB1 GLU 67 72.824 9.420 3.552 480 1HG GLU 67 HG2 GLU 67 71.407 8.650 5.123 481 2HG GLU 67 HG1 GLU 67 72.785 7.891 5.919 482 H ASP 68 HN ASP 68 74.421 7.595 6.780 483 HA ASP 68 HA ASP 68 76.403 9.448 7.971 484 1HB ASP 68 HB2 ASP 68 75.673 8.210 10.115 485 2HB ASP 68 HB1 ASP 68 74.469 9.233 9.328 486 H GLY 69 HN GLY 69 76.564 6.589 6.362 487 1HA GLY 69 HA2 GLY 69 78.035 4.745 6.427 488 2HA GLY 69 HA1 GLY 69 79.208 5.970 6.914 489 H SER 70 HN SER 70 76.350 4.937 8.745 490 HA SER 70 HA SER 70 77.948 4.596 11.145 491 1HB SER 70 HB2 SER 70 75.757 3.692 12.072 492 2HB SER 70 HB1 SER 70 75.686 5.331 11.434 493 HG SER 70 HG SER 70 75.217 3.259 9.642 494 H GLY 71 HN GLY 71 77.488 2.644 8.460 495 1HA GLY 71 HA2 GLY 71 78.402 0.470 8.143 496 2HA GLY 71 HA1 GLY 71 78.604 0.328 9.890 497 H THR 72 HN THR 72 75.517 1.456 9.236 498 HA THR 72 HA THR 72 74.358 -1.266 8.951 499 HB THR 72 HB THR 72 72.701 -0.202 10.846 500 HG1 THR 72 HG1 THR 72 73.902 0.847 12.337 501 1HG2 THR 72 HG23 THR 72 73.920 -2.469 10.670 502 2HG2 THR 72 HG22 THR 72 75.198 -1.708 11.619 503 3HG2 THR 72 HG21 THR 72 73.573 -1.861 12.288 504 H ILE 73 HN ILE 73 72.116 -1.201 8.241 505 HA ILE 73 HA ILE 73 71.417 1.414 6.972 506 HB ILE 73 HB ILE 73 70.768 -1.442 6.208 507 1HG1 ILE 73 HG12 ILE 73 72.985 -0.335 5.569 508 2HG1 ILE 73 HG11 ILE 73 72.021 -0.953 4.228 509 1HG2 ILE 73 HG22 ILE 73 69.331 1.066 5.644 510 2HG2 ILE 73 HG21 ILE 73 69.763 0.150 4.200 511 3HG2 ILE 73 HG23 ILE 73 68.793 -0.604 5.465 512 1HD1 ILE 73 HD11 ILE 73 71.295 1.788 4.915 513 2HD1 ILE 73 HD13 ILE 73 72.998 1.645 4.480 514 3HD1 ILE 73 HD12 ILE 73 71.753 1.112 3.351 515 H ASP 74 HN ASP 74 69.260 2.171 7.164 516 HA ASP 74 HA ASP 74 67.591 0.727 9.186 517 1HB ASP 74 HB2 ASP 74 68.261 3.654 8.933 518 2HB ASP 74 HB1 ASP 74 66.759 3.146 9.706 519 H PHE 75 HN PHE 75 65.242 1.136 8.921 520 HA PHE 75 HA PHE 75 64.216 0.664 6.406 521 1HB PHE 75 HB2 PHE 75 62.972 0.787 8.654 522 2HB PHE 75 HB1 PHE 75 62.787 2.509 8.323 523 HD1 PHE 75 HD2 PHE 75 62.670 -0.522 6.121 524 HD2 PHE 75 HD1 PHE 75 60.602 2.930 7.617 525 HE1 PHE 75 HE2 PHE 75 60.758 -1.016 4.618 526 HE2 PHE 75 HE1 PHE 75 58.688 2.438 6.117 527 HZ PHE 75 HZ PHE 75 58.767 0.463 4.617 528 H GLU 76 HN GLU 76 64.811 3.879 7.835 529 HA GLU 76 HA GLU 76 63.792 5.438 5.698 530 1HB GLU 76 HB2 GLU 76 66.153 6.033 7.511 531 2HB GLU 76 HB1 GLU 76 65.288 7.222 6.536 532 1HG GLU 76 HG2 GLU 76 63.187 6.161 7.820 533 2HG GLU 76 HG1 GLU 76 64.430 5.830 9.028 534 H GLU 77 HN GLU 77 67.108 4.202 6.217 535 HA GLU 77 HA GLU 77 68.102 5.263 3.719 536 1HB GLU 77 HB2 GLU 77 69.211 2.943 5.325 537 2HB GLU 77 HB1 GLU 77 70.087 3.947 4.168 538 1HG GLU 77 HG2 GLU 77 69.719 5.923 5.601 539 2HG GLU 77 HG1 GLU 77 68.849 4.919 6.761 540 H PHE 78 HN PHE 78 66.164 2.550 4.510 541 HA PHE 78 HA PHE 78 66.975 0.771 2.396 542 1HB PHE 78 HB2 PHE 78 65.167 0.666 4.510 543 2HB PHE 78 HB1 PHE 78 64.134 0.641 3.080 544 HD1 PHE 78 HD1 PHE 78 66.888 -1.077 4.853 545 HD2 PHE 78 HD2 PHE 78 64.176 -1.210 1.526 546 HE1 PHE 78 HE1 PHE 78 67.487 -3.452 4.463 547 HE2 PHE 78 HE2 PHE 78 64.772 -3.586 1.135 548 HZ PHE 78 HZ PHE 78 66.428 -4.706 2.605 549 H LEU 79 HN LEU 79 64.046 2.824 2.626 550 HA LEU 79 HA LEU 79 63.100 2.602 0.037 551 1HB LEU 79 HB2 LEU 79 63.312 5.199 1.597 552 2HB LEU 79 HB1 LEU 79 62.188 4.869 0.276 553 HG LEU 79 HG LEU 79 62.286 3.383 2.918 554 1HD1 LEU 79 HD13 LEU 79 61.192 5.876 2.355 555 2HD1 LEU 79 HD12 LEU 79 59.825 4.776 2.175 556 3HD1 LEU 79 HD11 LEU 79 60.725 4.823 3.691 557 1HD2 LEU 79 HD22 LEU 79 61.120 2.768 0.325 558 2HD2 LEU 79 HD21 LEU 79 61.210 1.762 1.771 559 3HD2 LEU 79 HD23 LEU 79 59.875 2.897 1.568 560 H VAL 80 HN VAL 80 66.015 4.216 1.099 561 HA VAL 80 HA VAL 80 66.456 5.811 -1.250 562 HB VAL 80 HB VAL 80 68.487 4.604 0.655 563 1HG1 VAL 80 HG12 VAL 80 68.627 6.570 -1.598 564 2HG1 VAL 80 HG11 VAL 80 69.648 6.846 -0.188 565 3HG1 VAL 80 HG13 VAL 80 69.797 5.347 -1.106 566 1HG2 VAL 80 HG22 VAL 80 66.727 7.030 0.735 567 2HG2 VAL 80 HG21 VAL 80 67.209 5.954 2.047 568 3HG2 VAL 80 HG23 VAL 80 68.349 7.145 1.419 569 H MET 81 HN MET 81 67.722 2.588 -0.322 570 HA MET 81 HA MET 81 69.195 2.082 -2.670 571 1HB MET 81 HB2 MET 81 69.282 0.636 -0.675 572 2HB MET 81 HB1 MET 81 67.626 0.112 -0.979 573 1HG MET 81 HG2 MET 81 68.215 -1.148 -2.825 574 2HG MET 81 HG1 MET 81 69.621 -0.151 -3.186 575 1HE MET 81 HE2 MET 81 71.197 0.350 -1.412 576 2HE MET 81 HE1 MET 81 71.095 -0.393 0.183 577 3HE MET 81 HE3 MET 81 72.298 -0.957 -0.985 578 H MET 82 HN MET 82 65.737 1.715 -2.021 579 HA MET 82 HA MET 82 65.057 0.311 -4.418 580 1HB MET 82 HB2 MET 82 63.633 1.840 -2.325 581 2HB MET 82 HB1 MET 82 62.827 1.801 -3.896 582 1HG MET 82 HG2 MET 82 62.007 -0.151 -2.964 583 2HG MET 82 HG1 MET 82 63.443 -0.767 -3.780 584 1HE MET 82 HE3 MET 82 65.621 -0.690 -2.902 585 2HE MET 82 HE2 MET 82 66.103 -1.107 -1.259 586 3HE MET 82 HE1 MET 82 65.291 -2.306 -2.261 587 H VAL 83 HN VAL 83 64.241 3.715 -3.759 588 HA VAL 83 HA VAL 83 63.809 4.471 -6.433 589 HB VAL 83 HB VAL 83 65.029 6.305 -4.361 590 1HG1 VAL 83 HG11 VAL 83 64.703 7.206 -6.639 591 2HG1 VAL 83 HG13 VAL 83 63.007 6.731 -6.581 592 3HG1 VAL 83 HG12 VAL 83 63.609 7.977 -5.489 593 1HG2 VAL 83 HG22 VAL 83 62.662 4.721 -4.121 594 2HG2 VAL 83 HG21 VAL 83 63.244 5.976 -3.026 595 3HG2 VAL 83 HG23 VAL 83 62.169 6.397 -4.359 596 H ARG 84 HN ARG 84 66.796 3.774 -4.853 597 HA ARG 84 HA ARG 84 68.537 5.388 -6.476 598 1HB ARG 84 HB2 ARG 84 68.822 3.531 -4.359 599 2HB ARG 84 HB1 ARG 84 69.785 2.905 -5.698 600 1HG ARG 84 HG2 ARG 84 71.377 4.374 -5.054 601 2HG ARG 84 HG1 ARG 84 70.335 5.627 -5.732 602 1HD ARG 84 HD2 ARG 84 69.135 5.544 -3.418 603 2HD ARG 84 HD1 ARG 84 70.611 4.755 -2.865 604 HE ARG 84 HE ARG 84 71.402 6.973 -2.726 605 1HH1 ARG 84 HH21 ARG 84 72.180 6.784 -5.607 606 2HH1 ARG 84 HH22 ARG 84 71.408 8.176 -6.287 607 1HH2 ARG 84 HH11 ARG 84 69.277 8.641 -3.593 608 2HH2 ARG 84 HH12 ARG 84 69.764 9.227 -5.148 609 H GLN 85 HN GLN 85 67.306 2.068 -6.803 610 HA GLN 85 HA GLN 85 68.788 1.590 -9.265 611 1HB GLN 85 HB2 GLN 85 67.313 0.028 -7.417 612 2HB GLN 85 HB1 GLN 85 66.514 -0.151 -8.978 613 1HG GLN 85 HG2 GLN 85 69.507 -0.426 -8.630 614 2HG GLN 85 HG1 GLN 85 68.402 -1.798 -8.533 615 1HE2 GLN 85 HE22 GLN 85 69.552 -0.537 -12.142 616 2HE2 GLN 85 HE21 GLN 85 70.331 -0.101 -10.697 617 H MET 86 HN MET 86 65.297 2.029 -8.540 618 HA MET 86 HA MET 86 64.360 2.050 -11.183 619 1HB MET 86 HB2 MET 86 62.396 3.039 -10.362 620 2HB MET 86 HB1 MET 86 63.060 2.262 -8.927 621 1HG MET 86 HG2 MET 86 62.632 4.373 -8.074 622 2HG MET 86 HG1 MET 86 64.285 4.608 -8.647 623 1HE MET 86 HE2 MET 86 63.498 7.197 -8.397 624 2HE MET 86 HE1 MET 86 62.202 7.919 -9.346 625 3HE MET 86 HE3 MET 86 61.828 6.724 -8.096 626 H LYS 87 HN LYS 87 66.061 4.564 -9.415 627 HA LYS 87 HA LYS 87 65.564 6.862 -10.867 628 1HB LYS 87 HB2 LYS 87 67.962 5.749 -9.523 629 2HB LYS 87 HB1 LYS 87 68.268 7.044 -10.680 630 1HG LYS 87 HG2 LYS 87 66.877 8.568 -9.514 631 2HG LYS 87 HG1 LYS 87 66.118 7.283 -8.574 632 1HD LYS 87 HD2 LYS 87 67.619 7.757 -6.956 633 2HD LYS 87 HD1 LYS 87 68.823 6.999 -7.999 634 1HE LYS 87 HE2 LYS 87 69.754 9.117 -7.602 635 2HE LYS 87 HE1 LYS 87 68.942 9.337 -9.151 636 1HZ LYS 87 HZ3 LYS 87 67.111 9.800 -7.072 637 2HZ LYS 87 HZ2 LYS 87 68.504 10.726 -6.780 638 3HZ LYS 87 HZ1 LYS 87 67.667 10.884 -8.251 639 H GLU 88 HN GLU 88 68.431 4.918 -11.736 640 HA GLU 88 HA GLU 88 67.926 5.665 -14.576 641 1HB GLU 88 HB2 GLU 88 70.320 5.284 -12.930 642 2HB GLU 88 HB1 GLU 88 70.410 4.434 -14.473 643 1HG GLU 88 HG2 GLU 88 70.549 6.363 -15.659 644 2HG GLU 88 HG1 GLU 88 69.306 7.151 -14.686 645 H ASP 89 HN ASP 89 68.694 3.868 -16.161 646 HA ASP 89 HA ASP 89 68.173 1.756 -17.051 647 1HB ASP 89 HB2 ASP 89 69.370 1.240 -14.354 648 2HB ASP 89 HB1 ASP 89 68.660 -0.118 -15.228 649 H ALA 90 HN ALA 90 65.852 2.867 -16.628 650 HA ALA 90 HA ALA 90 64.223 0.721 -15.382 651 1HB ALA 90 HB3 ALA 90 64.679 3.132 -14.064 652 2HB ALA 90 HB2 ALA 90 63.113 3.368 -14.839 653 3HB ALA 90 HB1 ALA 90 63.357 2.010 -13.740 No H/Q in entry = 653 Start of MODEL 6 1 1H ALA 1 HT3 ALA 1 66.936 19.259 7.194 2 2H ALA 1 HT2 ALA 1 66.805 20.646 8.167 3 3H ALA 1 HT1 ALA 1 68.179 20.413 7.196 4 HA ALA 1 HA ALA 1 68.837 18.505 8.499 5 1HB ALA 1 HB1 ALA 1 68.940 21.167 9.277 6 2HB ALA 1 HB3 ALA 1 68.312 20.354 10.710 7 3HB ALA 1 HB2 ALA 1 69.851 19.849 10.013 8 H SER 2 HN SER 2 67.392 16.776 8.748 9 HA SER 2 HA SER 2 66.081 16.518 11.286 10 1HB SER 2 HB2 SER 2 64.515 17.683 9.120 11 2HB SER 2 HB1 SER 2 63.800 16.184 9.709 12 HG SER 2 HG SER 2 63.785 17.037 11.773 13 H MET 3 HN MET 3 66.031 15.446 7.884 14 HA MET 3 HA MET 3 66.598 12.700 8.776 15 1HB MET 3 HB2 MET 3 64.671 11.704 7.666 16 2HB MET 3 HB1 MET 3 64.104 12.882 8.852 17 1HG MET 3 HG2 MET 3 64.608 14.127 6.267 18 2HG MET 3 HG1 MET 3 63.434 12.817 6.139 19 1HE MET 3 HE1 MET 3 64.304 16.053 6.667 20 2HE MET 3 HE3 MET 3 62.701 16.423 6.020 21 3HE MET 3 HE2 MET 3 63.134 16.922 7.654 22 H THR 4 HN THR 4 67.973 14.735 7.185 23 HA THR 4 HA THR 4 69.206 14.870 5.201 24 HB THR 4 HB THR 4 68.852 12.310 4.046 25 HG1 THR 4 HG1 THR 4 69.354 11.070 5.977 26 1HG2 THR 4 HG21 THR 4 70.974 13.431 5.896 27 2HG2 THR 4 HG23 THR 4 71.165 11.977 4.915 28 3HG2 THR 4 HG22 THR 4 70.952 13.544 4.136 29 H ASP 5 HN ASP 5 68.820 15.417 3.044 30 HA ASP 5 HA ASP 5 66.062 15.715 2.251 31 1HB ASP 5 HB2 ASP 5 68.657 16.058 0.722 32 2HB ASP 5 HB1 ASP 5 67.073 16.459 0.059 33 H GLN 6 HN GLN 6 68.473 13.251 1.738 34 HA GLN 6 HA GLN 6 67.443 12.025 -0.610 35 1HB GLN 6 HB2 GLN 6 69.236 11.281 1.586 36 2HB GLN 6 HB1 GLN 6 68.325 9.910 0.950 37 1HG GLN 6 HG2 GLN 6 69.228 10.131 -1.192 38 2HG GLN 6 HG1 GLN 6 69.626 11.833 -0.955 39 1HE2 GLN 6 HE22 GLN 6 72.348 8.999 0.001 40 2HE2 GLN 6 HE21 GLN 6 70.859 8.606 -0.714 41 H GLN 7 HN GLN 7 66.431 11.805 2.768 42 HA GLN 7 HA GLN 7 64.531 9.648 2.256 43 1HB GLN 7 HB2 GLN 7 64.471 11.532 4.617 44 2HB GLN 7 HB1 GLN 7 63.936 9.854 4.544 45 1HG GLN 7 HG2 GLN 7 66.804 10.810 4.306 46 2HG GLN 7 HG1 GLN 7 66.095 10.011 5.710 47 1HE2 GLN 7 HE22 GLN 7 67.756 7.333 3.764 48 2HE2 GLN 7 HE21 GLN 7 68.243 8.689 4.662 49 H ALA 8 HN ALA 8 64.474 13.156 2.244 50 HA ALA 8 HA ALA 8 61.595 13.422 2.312 51 1HB ALA 8 HB3 ALA 8 63.628 15.185 2.580 52 2HB ALA 8 HB2 ALA 8 63.208 15.477 0.894 53 3HB ALA 8 HB1 ALA 8 61.989 15.676 2.153 54 H GLU 9 HN GLU 9 63.978 12.970 -0.252 55 HA GLU 9 HA GLU 9 61.961 13.387 -2.355 56 1HB GLU 9 HB2 GLU 9 64.812 13.386 -2.212 57 2HB GLU 9 HB1 GLU 9 64.331 12.136 -3.360 58 1HG GLU 9 HG2 GLU 9 63.462 15.041 -3.398 59 2HG GLU 9 HG1 GLU 9 64.556 14.257 -4.541 60 H ALA 10 HN ALA 10 64.063 10.644 -1.387 61 HA ALA 10 HA ALA 10 62.922 8.658 -2.980 62 1HB ALA 10 HB2 ALA 10 64.889 8.370 -1.436 63 2HB ALA 10 HB1 ALA 10 63.753 8.268 -0.091 64 3HB ALA 10 HB3 ALA 10 63.726 7.046 -1.360 65 H ARG 11 HN ARG 11 61.868 9.555 0.328 66 HA ARG 11 HA ARG 11 59.575 7.808 0.274 67 1HB ARG 11 HB2 ARG 11 60.847 9.333 2.204 68 2HB ARG 11 HB1 ARG 11 59.313 10.177 1.984 69 1HG ARG 11 HG2 ARG 11 58.055 8.182 2.447 70 2HG ARG 11 HG1 ARG 11 59.507 7.184 2.392 71 1HD ARG 11 HD2 ARG 11 59.090 7.497 4.706 72 2HD ARG 11 HD1 ARG 11 60.374 8.643 4.327 73 HE ARG 11 HE ARG 11 58.444 10.351 4.105 74 1HH1 ARG 11 HH21 ARG 11 56.199 8.552 4.742 75 2HH1 ARG 11 HH22 ARG 11 56.006 8.756 6.450 76 1HH2 ARG 11 HH11 ARG 11 59.134 10.186 6.899 77 2HH2 ARG 11 HH12 ARG 11 57.667 9.683 7.673 78 H ALA 12 HN ALA 12 60.174 11.036 -0.908 79 HA ALA 12 HA ALA 12 57.456 11.935 -1.047 80 1HB ALA 12 HB2 ALA 12 60.046 12.709 -2.288 81 2HB ALA 12 HB1 ALA 12 58.587 13.222 -3.135 82 3HB ALA 12 HB3 ALA 12 58.852 13.709 -1.461 83 H PHE 13 HN PHE 13 59.444 9.968 -3.217 84 HA PHE 13 HA PHE 13 57.305 9.893 -5.242 85 1HB PHE 13 HB2 PHE 13 59.549 9.907 -6.109 86 2HB PHE 13 HB1 PHE 13 60.026 8.575 -5.055 87 HD1 PHE 13 HD1 PHE 13 57.568 9.429 -7.754 88 HD2 PHE 13 HD2 PHE 13 59.905 6.373 -5.843 89 HE1 PHE 13 HE1 PHE 13 56.856 7.802 -9.483 90 HE2 PHE 13 HE2 PHE 13 59.192 4.746 -7.573 91 HZ PHE 13 HZ PHE 13 57.668 5.460 -9.394 92 H LEU 14 HN LEU 14 58.287 8.113 -2.466 93 HA LEU 14 HA LEU 14 56.901 5.653 -3.344 94 1HB LEU 14 HB2 LEU 14 58.248 6.325 -0.709 95 2HB LEU 14 HB1 LEU 14 57.653 4.734 -1.187 96 HG LEU 14 HG LEU 14 59.690 6.259 -2.820 97 1HD1 LEU 14 HD12 LEU 14 60.107 4.257 -0.583 98 2HD1 LEU 14 HD11 LEU 14 61.355 4.689 -1.752 99 3HD1 LEU 14 HD13 LEU 14 60.710 5.912 -0.659 100 1HD2 LEU 14 HD23 LEU 14 58.714 3.394 -2.710 101 2HD2 LEU 14 HD22 LEU 14 58.596 4.520 -4.063 102 3HD2 LEU 14 HD21 LEU 14 60.168 3.877 -3.585 103 H SER 15 HN SER 15 54.945 4.947 -2.443 104 HA SER 15 HA SER 15 53.393 7.057 -1.042 105 1HB SER 15 HB2 SER 15 52.141 4.494 -1.915 106 2HB SER 15 HB1 SER 15 51.494 6.130 -1.964 107 HG SER 15 HG SER 15 52.162 5.118 -4.030 108 H GLU 16 HN GLU 16 52.084 6.450 0.835 109 HA GLU 16 HA GLU 16 53.497 5.044 2.839 110 1HB GLU 16 HB2 GLU 16 50.979 6.393 2.600 111 2HB GLU 16 HB1 GLU 16 50.711 4.852 3.415 112 1HG GLU 16 HG2 GLU 16 52.400 5.360 5.072 113 2HG GLU 16 HG1 GLU 16 52.876 6.819 4.201 114 H GLU 17 HN GLU 17 51.018 3.915 0.571 115 HA GLU 17 HA GLU 17 50.719 1.302 1.749 116 1HB GLU 17 HB2 GLU 17 49.653 2.740 -0.484 117 2HB GLU 17 HB1 GLU 17 50.239 1.180 -1.061 118 1HG GLU 17 HG2 GLU 17 48.371 0.240 -0.229 119 2HG GLU 17 HG1 GLU 17 48.949 0.648 1.387 120 H MET 18 HN MET 18 52.905 2.658 -0.672 121 HA MET 18 HA MET 18 54.015 0.080 -1.435 122 1HB MET 18 HB2 MET 18 54.962 2.929 -1.839 123 2HB MET 18 HB1 MET 18 55.819 1.524 -2.476 124 1HG MET 18 HG2 MET 18 52.984 1.382 -3.090 125 2HG MET 18 HG1 MET 18 53.690 2.877 -3.702 126 1HE MET 18 HE3 MET 18 56.023 2.881 -4.294 127 2HE MET 18 HE2 MET 18 57.013 1.473 -4.670 128 3HE MET 18 HE1 MET 18 56.189 2.334 -5.969 129 H ILE 19 HN ILE 19 54.552 2.322 1.152 130 HA ILE 19 HA ILE 19 57.241 1.297 1.753 131 HB ILE 19 HB ILE 19 55.386 3.247 3.130 132 1HG1 ILE 19 HG12 ILE 19 58.069 4.137 2.517 133 2HG1 ILE 19 HG11 ILE 19 57.310 3.459 1.076 134 1HG2 ILE 19 HG21 ILE 19 58.071 2.179 4.039 135 2HG2 ILE 19 HG23 ILE 19 57.334 3.648 4.679 136 3HG2 ILE 19 HG22 ILE 19 56.540 2.090 4.910 137 1HD1 ILE 19 HD13 ILE 19 55.350 5.029 2.429 138 2HD1 ILE 19 HD12 ILE 19 56.821 5.995 2.305 139 3HD1 ILE 19 HD11 ILE 19 56.079 5.326 0.850 140 H ALA 20 HN ALA 20 53.944 0.625 2.646 141 HA ALA 20 HA ALA 20 54.502 -0.744 5.126 142 1HB ALA 20 HB3 ALA 20 52.211 0.011 3.773 143 2HB ALA 20 HB2 ALA 20 52.204 -1.742 3.589 144 3HB ALA 20 HB1 ALA 20 52.250 -1.026 5.199 145 H GLU 21 HN GLU 21 54.611 -1.601 1.752 146 HA GLU 21 HA GLU 21 54.773 -4.475 2.215 147 1HB GLU 21 HB2 GLU 21 53.961 -4.042 0.087 148 2HB GLU 21 HB1 GLU 21 54.985 -2.625 -0.130 149 1HG GLU 21 HG2 GLU 21 55.733 -4.450 -1.589 150 2HG GLU 21 HG1 GLU 21 56.955 -4.104 -0.367 151 H PHE 22 HN PHE 22 57.126 -1.973 1.179 152 HA PHE 22 HA PHE 22 59.424 -3.617 1.191 153 1HB PHE 22 HB2 PHE 22 59.072 -0.672 1.791 154 2HB PHE 22 HB1 PHE 22 60.657 -1.441 1.698 155 HD1 PHE 22 HD1 PHE 22 60.272 -3.402 -0.463 156 HD2 PHE 22 HD2 PHE 22 58.915 0.661 -0.149 157 HE1 PHE 22 HE1 PHE 22 60.215 -3.230 -2.936 158 HE2 PHE 22 HE2 PHE 22 58.857 0.834 -2.623 159 HZ PHE 22 HZ PHE 22 59.508 -1.112 -4.017 160 H LYS 23 HN LYS 23 57.733 -2.041 3.858 161 HA LYS 23 HA LYS 23 59.726 -2.372 5.866 162 1HB LYS 23 HB2 LYS 23 57.740 -0.999 6.246 163 2HB LYS 23 HB1 LYS 23 56.702 -2.419 6.108 164 1HG LYS 23 HG2 LYS 23 57.161 -1.787 8.481 165 2HG LYS 23 HG1 LYS 23 57.725 -3.411 8.086 166 1HD LYS 23 HD2 LYS 23 59.947 -2.821 8.207 167 2HD LYS 23 HD1 LYS 23 59.645 -1.163 7.685 168 1HE LYS 23 HE2 LYS 23 58.643 -0.652 9.882 169 2HE LYS 23 HE1 LYS 23 58.948 -2.307 10.407 170 1HZ LYS 23 HZ2 LYS 23 61.325 -1.266 9.370 171 2HZ LYS 23 HZ1 LYS 23 60.697 -0.122 10.457 172 3HZ LYS 23 HZ3 LYS 23 60.985 -1.712 10.973 173 H ALA 24 HN ALA 24 57.298 -4.602 4.587 174 HA ALA 24 HA ALA 24 57.501 -6.643 6.541 175 1HB ALA 24 HB2 ALA 24 55.833 -6.615 4.693 176 2HB ALA 24 HB1 ALA 24 57.125 -6.989 3.552 177 3HB ALA 24 HB3 ALA 24 56.686 -8.156 4.798 178 H ALA 25 HN ALA 25 59.462 -6.079 3.614 179 HA ALA 25 HA ALA 25 61.131 -8.401 4.020 180 1HB ALA 25 HB2 ALA 25 60.796 -6.489 2.007 181 2HB ALA 25 HB1 ALA 25 62.438 -6.225 2.593 182 3HB ALA 25 HB3 ALA 25 61.958 -7.816 2.004 183 H PHE 26 HN PHE 26 61.321 -5.016 5.029 184 HA PHE 26 HA PHE 26 63.991 -4.905 5.907 185 1HB PHE 26 HB2 PHE 26 62.217 -3.046 5.937 186 2HB PHE 26 HB1 PHE 26 61.697 -3.723 7.481 187 HD1 PHE 26 HD1 PHE 26 64.883 -2.756 5.740 188 HD2 PHE 26 HD2 PHE 26 62.660 -2.855 9.415 189 HE1 PHE 26 HE1 PHE 26 66.726 -1.558 6.887 190 HE2 PHE 26 HE2 PHE 26 64.505 -1.657 10.562 191 HZ PHE 26 HZ PHE 26 66.537 -1.009 9.299 192 H ASP 27 HN ASP 27 61.220 -5.542 8.084 193 HA ASP 27 HA ASP 27 62.760 -6.532 10.238 194 1HB ASP 27 HB2 ASP 27 59.920 -7.149 9.386 195 2HB ASP 27 HB1 ASP 27 60.616 -7.710 10.907 196 H MET 28 HN MET 28 62.075 -7.983 7.198 197 HA MET 28 HA MET 28 62.221 -10.747 7.986 198 1HB MET 28 HB2 MET 28 61.930 -9.275 5.561 199 2HB MET 28 HB1 MET 28 63.276 -10.394 5.350 200 1HG MET 28 HG2 MET 28 61.036 -11.637 6.745 201 2HG MET 28 HG1 MET 28 60.572 -11.036 5.154 202 1HE MET 28 HE3 MET 28 62.109 -11.005 3.361 203 2HE MET 28 HE2 MET 28 63.346 -12.190 2.948 204 3HE MET 28 HE1 MET 28 61.646 -12.571 2.683 205 H PHE 29 HN PHE 29 64.683 -8.489 6.706 206 HA PHE 29 HA PHE 29 66.781 -10.482 7.386 207 1HB PHE 29 HB2 PHE 29 67.513 -7.850 6.202 208 2HB PHE 29 HB1 PHE 29 68.122 -9.460 5.822 209 HD1 PHE 29 HD1 PHE 29 66.652 -11.048 4.491 210 HD2 PHE 29 HD2 PHE 29 65.760 -6.870 4.938 211 HE1 PHE 29 HE1 PHE 29 65.115 -11.170 2.547 212 HE2 PHE 29 HE2 PHE 29 64.221 -6.992 2.995 213 HZ PHE 29 HZ PHE 29 63.899 -9.141 1.800 214 H ASP 30 HN ASP 30 65.185 -8.657 9.288 215 HA ASP 30 HA ASP 30 67.314 -6.948 10.397 216 1HB ASP 30 HB2 ASP 30 65.638 -6.168 11.945 217 2HB ASP 30 HB1 ASP 30 64.875 -6.271 10.359 218 H ALA 31 HN ALA 31 68.050 -9.658 10.402 219 HA ALA 31 HA ALA 31 67.447 -11.145 12.719 220 1HB ALA 31 HB3 ALA 31 69.171 -11.460 10.609 221 2HB ALA 31 HB2 ALA 31 70.292 -11.181 11.942 222 3HB ALA 31 HB1 ALA 31 69.132 -12.507 12.028 223 H ASP 32 HN ASP 32 69.233 -8.199 12.393 224 HA ASP 32 HA ASP 32 70.739 -8.451 14.868 225 1HB ASP 32 HB2 ASP 32 70.700 -6.672 12.688 226 2HB ASP 32 HB1 ASP 32 70.219 -5.707 14.084 227 H GLY 33 HN GLY 33 67.835 -6.566 13.942 228 1HA GLY 33 HA2 GLY 33 65.902 -6.268 15.333 229 2HA GLY 33 HA1 GLY 33 66.823 -6.890 16.702 230 H GLY 34 HN GLY 34 68.631 -4.645 14.942 231 1HA GLY 34 HA2 GLY 34 68.156 -2.610 17.057 232 2HA GLY 34 HA1 GLY 34 69.565 -2.674 15.997 233 H GLY 35 HN GLY 35 66.499 -3.176 14.501 234 1HA GLY 35 HA2 GLY 35 65.196 -1.805 13.102 235 2HA GLY 35 HA1 GLY 35 65.878 -0.408 13.939 236 H ASP 36 HN ASP 36 67.986 -2.780 12.486 237 HA ASP 36 HA ASP 36 68.271 -1.390 9.948 238 1HB ASP 36 HB2 ASP 36 70.587 -0.590 10.354 239 2HB ASP 36 HB1 ASP 36 69.423 0.226 11.396 240 H ILE 37 HN ILE 37 69.195 -2.797 8.491 241 HA ILE 37 HA ILE 37 70.485 -5.232 9.643 242 HB ILE 37 HB ILE 37 69.013 -6.416 8.418 243 1HG1 ILE 37 HG12 ILE 37 70.925 -6.196 6.696 244 2HG1 ILE 37 HG11 ILE 37 69.349 -6.698 6.086 245 1HG2 ILE 37 HG22 ILE 37 68.208 -3.791 7.137 246 2HG2 ILE 37 HG21 ILE 37 67.324 -5.308 6.974 247 3HG2 ILE 37 HG23 ILE 37 67.467 -4.535 8.552 248 1HD1 ILE 37 HD13 ILE 37 69.582 -3.798 6.142 249 2HD1 ILE 37 HD12 ILE 37 70.863 -4.527 5.174 250 3HD1 ILE 37 HD11 ILE 37 69.174 -4.858 4.794 251 H SER 38 HN SER 38 72.390 -6.021 8.607 252 HA SER 38 HA SER 38 74.216 -4.026 7.708 253 1HB SER 38 HB2 SER 38 74.465 -6.961 7.040 254 2HB SER 38 HB1 SER 38 75.754 -5.801 7.350 255 HG SER 38 HG SER 38 74.438 -5.662 9.495 256 H THR 39 HN THR 39 74.848 -3.410 5.620 257 HA THR 39 HA THR 39 72.896 -3.682 3.537 258 HB THR 39 HB THR 39 74.267 -2.302 2.253 259 HG1 THR 39 HG1 THR 39 76.500 -3.242 3.720 260 1HG2 THR 39 HG22 THR 39 74.127 -1.792 5.033 261 2HG2 THR 39 HG21 THR 39 75.752 -1.337 4.521 262 3HG2 THR 39 HG23 THR 39 74.347 -0.618 3.736 263 H LYS 40 HN LYS 40 75.563 -5.661 4.502 264 HA LYS 40 HA LYS 40 76.229 -6.932 2.064 265 1HB LYS 40 HB2 LYS 40 76.861 -8.882 3.464 266 2HB LYS 40 HB1 LYS 40 77.444 -7.371 4.161 267 1HG LYS 40 HG2 LYS 40 76.217 -7.673 6.026 268 2HG LYS 40 HG1 LYS 40 74.756 -7.963 5.080 269 1HD LYS 40 HD2 LYS 40 75.073 -10.257 5.031 270 2HD LYS 40 HD1 LYS 40 76.824 -10.123 5.193 271 1HE LYS 40 HE2 LYS 40 76.520 -9.371 7.547 272 2HE LYS 40 HE1 LYS 40 74.780 -9.612 7.374 273 1HZ LYS 40 HZ3 LYS 40 76.839 -11.720 6.998 274 2HZ LYS 40 HZ2 LYS 40 75.886 -11.524 8.391 275 3HZ LYS 40 HZ1 LYS 40 75.159 -11.934 6.911 276 H ALA 41 HN ALA 41 73.368 -7.129 4.029 277 HA ALA 41 HA ALA 41 72.380 -9.534 2.629 278 1HB ALA 41 HB1 ALA 41 71.862 -8.319 5.131 279 2HB ALA 41 HB3 ALA 41 70.371 -8.179 4.198 280 3HB ALA 41 HB2 ALA 41 71.096 -9.764 4.466 281 H LEU 42 HN LEU 42 72.011 -6.046 2.554 282 HA LEU 42 HA LEU 42 69.598 -5.650 1.265 283 1HB LEU 42 HB2 LEU 42 72.227 -4.309 1.185 284 2HB LEU 42 HB1 LEU 42 71.231 -4.024 -0.239 285 HG LEU 42 HG LEU 42 70.669 -2.288 1.295 286 1HD1 LEU 42 HD13 LEU 42 68.773 -4.061 0.397 287 2HD1 LEU 42 HD12 LEU 42 68.430 -4.009 2.128 288 3HD1 LEU 42 HD11 LEU 42 68.419 -2.520 1.179 289 1HD2 LEU 42 HD23 LEU 42 71.067 -4.438 3.267 290 2HD2 LEU 42 HD22 LEU 42 71.316 -2.698 3.429 291 3HD2 LEU 42 HD21 LEU 42 69.700 -3.381 3.623 292 H GLY 43 HN GLY 43 72.419 -7.269 -0.005 293 1HA GLY 43 HA2 GLY 43 71.769 -7.148 -2.787 294 2HA GLY 43 HA1 GLY 43 72.766 -8.394 -2.034 295 H THR 44 HN THR 44 71.099 -9.717 -0.378 296 HA THR 44 HA THR 44 69.470 -11.263 -2.186 297 HB THR 44 HB THR 44 69.730 -11.222 0.828 298 HG1 THR 44 HG1 THR 44 71.359 -12.073 -0.789 299 1HG2 THR 44 HG21 THR 44 67.625 -12.346 -0.789 300 2HG2 THR 44 HG23 THR 44 68.553 -13.642 -0.035 301 3HG2 THR 44 HG22 THR 44 67.815 -12.389 0.964 302 H VAL 45 HN VAL 45 68.716 -8.891 0.355 303 HA VAL 45 HA VAL 45 65.930 -9.041 0.394 304 HB VAL 45 HB VAL 45 67.627 -6.527 0.447 305 1HG1 VAL 45 HG11 VAL 45 64.748 -7.104 0.940 306 2HG1 VAL 45 HG13 VAL 45 65.545 -6.003 2.062 307 3HG1 VAL 45 HG12 VAL 45 65.513 -5.635 0.336 308 1HG2 VAL 45 HG22 VAL 45 66.849 -8.571 2.524 309 2HG2 VAL 45 HG21 VAL 45 68.446 -7.906 2.179 310 3HG2 VAL 45 HG23 VAL 45 67.234 -6.913 2.986 311 H MET 46 HN MET 46 67.890 -6.969 -1.772 312 HA MET 46 HA MET 46 65.833 -5.866 -3.308 313 1HB MET 46 HB2 MET 46 68.688 -6.519 -3.785 314 2HB MET 46 HB1 MET 46 67.705 -6.270 -5.229 315 1HG MET 46 HG2 MET 46 66.889 -4.206 -3.585 316 2HG MET 46 HG1 MET 46 68.613 -4.322 -3.231 317 1HE MET 46 HE3 MET 46 67.800 -1.958 -3.959 318 2HE MET 46 HE2 MET 46 69.435 -1.871 -4.613 319 3HE MET 46 HE1 MET 46 68.072 -1.336 -5.594 320 H ARG 47 HN ARG 47 67.608 -8.881 -4.098 321 HA ARG 47 HA ARG 47 66.178 -9.694 -6.332 322 1HB ARG 47 HB2 ARG 47 67.119 -11.437 -4.034 323 2HB ARG 47 HB1 ARG 47 66.665 -12.033 -5.632 324 1HG ARG 47 HG2 ARG 47 68.420 -10.210 -6.437 325 2HG ARG 47 HG1 ARG 47 69.067 -10.444 -4.812 326 1HD ARG 47 HD2 ARG 47 70.115 -12.286 -5.575 327 2HD ARG 47 HD1 ARG 47 68.529 -13.031 -5.778 328 HE ARG 47 HE ARG 47 68.547 -12.133 -8.121 329 1HH1 ARG 47 HH11 ARG 47 70.446 -10.332 -8.750 330 2HH1 ARG 47 HH12 ARG 47 71.922 -11.185 -9.059 331 1HH2 ARG 47 HH21 ARG 47 70.893 -14.084 -7.458 332 2HH2 ARG 47 HH22 ARG 47 72.176 -13.308 -8.328 333 H MET 48 HN MET 48 65.174 -9.946 -2.939 334 HA MET 48 HA MET 48 62.782 -11.472 -3.512 335 1HB MET 48 HB2 MET 48 64.111 -10.424 -1.193 336 2HB MET 48 HB1 MET 48 62.414 -9.946 -1.142 337 1HG MET 48 HG2 MET 48 61.653 -12.139 -1.083 338 2HG MET 48 HG1 MET 48 63.090 -12.767 -1.891 339 1HE MET 48 HE3 MET 48 65.155 -12.748 -1.217 340 2HE MET 48 HE2 MET 48 65.838 -12.171 0.299 341 3HE MET 48 HE1 MET 48 65.378 -13.862 0.138 342 H LEU 49 HN LEU 49 63.491 -8.010 -3.178 343 HA LEU 49 HA LEU 49 60.748 -7.149 -3.320 344 1HB LEU 49 HB2 LEU 49 63.102 -5.522 -4.282 345 2HB LEU 49 HB1 LEU 49 61.612 -4.953 -3.526 346 HG LEU 49 HG LEU 49 63.909 -6.429 -2.223 347 1HD1 LEU 49 HD12 LEU 49 63.853 -3.875 -2.498 348 2HD1 LEU 49 HD11 LEU 49 62.502 -3.895 -1.364 349 3HD1 LEU 49 HD13 LEU 49 64.085 -4.486 -0.860 350 1HD2 LEU 49 HD22 LEU 49 61.735 -7.422 -1.513 351 2HD2 LEU 49 HD21 LEU 49 62.533 -6.560 -0.197 352 3HD2 LEU 49 HD23 LEU 49 61.179 -5.814 -1.047 353 H GLY 50 HN GLY 50 63.041 -8.215 -5.694 354 1HA GLY 50 HA2 GLY 50 61.998 -8.951 -7.856 355 2HA GLY 50 HA1 GLY 50 61.103 -7.432 -7.836 356 H GLN 51 HN GLN 51 63.889 -6.423 -6.642 357 HA GLN 51 HA GLN 51 64.875 -5.574 -9.298 358 1HB GLN 51 HB2 GLN 51 64.818 -4.430 -6.665 359 2HB GLN 51 HB1 GLN 51 66.495 -4.526 -7.206 360 1HG GLN 51 HG2 GLN 51 66.092 -2.658 -8.408 361 2HG GLN 51 HG1 GLN 51 65.105 -3.665 -9.467 362 1HE2 GLN 51 HE22 GLN 51 63.090 -0.784 -7.978 363 2HE2 GLN 51 HE21 GLN 51 64.616 -0.814 -8.721 364 H ASN 52 HN ASN 52 66.617 -6.529 -10.236 365 HA ASN 52 HA ASN 52 68.500 -8.041 -8.473 366 1HB ASN 52 HB2 ASN 52 67.352 -8.875 -11.152 367 2HB ASN 52 HB1 ASN 52 68.725 -9.675 -10.387 368 1HD2 ASN 52 HD22 ASN 52 65.146 -10.934 -9.343 369 2HD2 ASN 52 HD21 ASN 52 65.562 -10.215 -10.824 370 HA PRO 53 HA PRO 53 70.730 -5.018 -11.174 371 1HB PRO 53 HB2 PRO 53 72.014 -3.744 -9.104 372 2HB PRO 53 HB1 PRO 53 70.430 -3.250 -9.725 373 1HG PRO 53 HG2 PRO 53 71.089 -4.690 -7.198 374 2HG PRO 53 HG1 PRO 53 69.705 -3.648 -7.567 375 1HD PRO 53 HD2 PRO 53 69.676 -6.476 -7.507 376 2HD PRO 53 HD1 PRO 53 68.413 -5.434 -8.198 377 H THR 54 HN THR 54 73.263 -4.604 -10.995 378 HA THR 54 HA THR 54 74.505 -7.245 -10.692 379 HB THR 54 HB THR 54 76.588 -5.673 -11.311 380 HG1 THR 54 HG1 THR 54 74.517 -4.295 -12.588 381 1HG2 THR 54 HG21 THR 54 74.353 -6.608 -13.121 382 2HG2 THR 54 HG23 THR 54 75.881 -5.975 -13.733 383 3HG2 THR 54 HG22 THR 54 75.863 -7.442 -12.754 384 H LYS 55 HN LYS 55 75.664 -7.892 -8.931 385 HA LYS 55 HA LYS 55 75.649 -6.547 -6.473 386 1HB LYS 55 HB2 LYS 55 77.062 -8.834 -7.622 387 2HB LYS 55 HB1 LYS 55 78.032 -7.986 -6.417 388 1HG LYS 55 HG2 LYS 55 76.094 -8.089 -4.845 389 2HG LYS 55 HG1 LYS 55 75.219 -9.050 -6.037 390 1HD LYS 55 HD2 LYS 55 76.897 -10.805 -5.934 391 2HD LYS 55 HD1 LYS 55 77.907 -9.824 -4.873 392 1HE LYS 55 HE2 LYS 55 75.799 -9.776 -3.326 393 2HE LYS 55 HE1 LYS 55 75.295 -11.183 -4.261 394 1HZ LYS 55 HZ2 LYS 55 78.008 -11.442 -3.549 395 2HZ LYS 55 HZ1 LYS 55 77.100 -11.104 -2.154 396 3HZ LYS 55 HZ3 LYS 55 76.698 -12.436 -3.123 397 H GLU 56 HN GLU 56 78.033 -6.349 -9.094 398 HA GLU 56 HA GLU 56 80.067 -4.895 -7.825 399 1HB GLU 56 HB2 GLU 56 78.985 -4.522 -10.636 400 2HB GLU 56 HB1 GLU 56 80.540 -3.918 -10.062 401 1HG GLU 56 HG2 GLU 56 79.973 -6.808 -9.621 402 2HG GLU 56 HG1 GLU 56 80.296 -6.301 -11.279 403 H GLU 57 HN GLU 57 77.246 -3.506 -9.551 404 HA GLU 57 HA GLU 57 77.798 -0.825 -8.635 405 1HB GLU 57 HB2 GLU 57 75.569 -2.201 -10.059 406 2HB GLU 57 HB1 GLU 57 75.190 -0.677 -9.256 407 1HG GLU 57 HG2 GLU 57 76.659 0.548 -10.591 408 2HG GLU 57 HG1 GLU 57 77.643 -0.864 -10.980 409 H LEU 58 HN LEU 58 76.209 -3.567 -7.232 410 HA LEU 58 HA LEU 58 74.470 -2.225 -5.403 411 1HB LEU 58 HB2 LEU 58 74.673 -4.763 -5.957 412 2HB LEU 58 HB1 LEU 58 75.918 -4.774 -4.707 413 HG LEU 58 HG LEU 58 73.940 -3.366 -3.456 414 1HD1 LEU 58 HD11 LEU 58 72.645 -4.307 -5.685 415 2HD1 LEU 58 HD13 LEU 58 72.316 -5.587 -4.518 416 3HD1 LEU 58 HD12 LEU 58 71.851 -3.925 -4.158 417 1HD2 LEU 58 HD22 LEU 58 75.327 -5.571 -2.922 418 2HD2 LEU 58 HD21 LEU 58 73.850 -5.198 -2.034 419 3HD2 LEU 58 HD23 LEU 58 73.812 -6.358 -3.363 420 H ASP 59 HN ASP 59 77.830 -3.389 -4.983 421 HA ASP 59 HA ASP 59 78.203 -2.489 -2.330 422 1HB ASP 59 HB2 ASP 59 79.786 -3.798 -4.032 423 2HB ASP 59 HB1 ASP 59 80.448 -2.182 -4.284 424 H ALA 60 HN ALA 60 78.707 -0.754 -5.407 425 HA ALA 60 HA ALA 60 79.605 1.694 -4.216 426 1HB ALA 60 HB2 ALA 60 79.038 0.720 -6.838 427 2HB ALA 60 HB1 ALA 60 78.148 2.227 -6.626 428 3HB ALA 60 HB3 ALA 60 79.896 2.194 -6.392 429 H ILE 61 HN ILE 61 76.445 0.285 -4.667 430 HA ILE 61 HA ILE 61 74.975 2.764 -4.251 431 HB ILE 61 HB ILE 61 74.212 -0.161 -4.243 432 1HG1 ILE 61 HG12 ILE 61 73.520 2.197 -6.023 433 2HG1 ILE 61 HG11 ILE 61 74.636 0.892 -6.424 434 1HG2 ILE 61 HG23 ILE 61 72.726 2.192 -3.216 435 2HG2 ILE 61 HG22 ILE 61 71.825 1.130 -4.300 436 3HG2 ILE 61 HG21 ILE 61 72.541 0.483 -2.824 437 1HD1 ILE 61 HD12 ILE 61 72.768 -0.738 -6.186 438 2HD1 ILE 61 HD11 ILE 61 71.666 0.606 -5.889 439 3HD1 ILE 61 HD13 ILE 61 72.463 0.449 -7.454 440 H ILE 62 HN ILE 62 76.229 0.182 -2.217 441 HA ILE 62 HA ILE 62 74.753 0.765 0.159 442 HB ILE 62 HB ILE 62 77.536 -0.370 -0.241 443 1HG1 ILE 62 HG12 ILE 62 75.035 -1.809 0.642 444 2HG1 ILE 62 HG11 ILE 62 75.387 -1.568 -1.068 445 1HG2 ILE 62 HG21 ILE 62 75.841 -0.074 2.250 446 2HG2 ILE 62 HG23 ILE 62 77.185 -1.210 2.132 447 3HG2 ILE 62 HG22 ILE 62 77.479 0.523 1.987 448 1HD1 ILE 62 HD13 ILE 62 77.738 -2.535 -0.467 449 2HD1 ILE 62 HD12 ILE 62 76.925 -3.164 0.966 450 3HD1 ILE 62 HD11 ILE 62 76.380 -3.648 -0.640 451 H GLU 63 HN GLU 63 77.816 2.064 -1.106 452 HA GLU 63 HA GLU 63 78.373 3.731 1.173 453 1HB GLU 63 HB2 GLU 63 79.741 3.049 -1.110 454 2HB GLU 63 HB1 GLU 63 79.297 4.723 -1.446 455 1HG GLU 63 HG2 GLU 63 80.732 5.528 0.108 456 2HG GLU 63 HG1 GLU 63 80.247 4.320 1.299 457 H GLU 64 HN GLU 64 76.558 4.237 -1.827 458 HA GLU 64 HA GLU 64 76.126 7.065 -1.366 459 1HB GLU 64 HB2 GLU 64 74.814 5.023 -3.168 460 2HB GLU 64 HB1 GLU 64 74.278 6.702 -3.105 461 1HG GLU 64 HG2 GLU 64 76.799 7.269 -3.470 462 2HG GLU 64 HG1 GLU 64 76.921 5.602 -4.035 463 H VAL 65 HN VAL 65 74.577 4.141 -0.273 464 HA VAL 65 HA VAL 65 72.125 5.538 0.557 465 HB VAL 65 HB VAL 65 73.078 2.727 1.188 466 1HG1 VAL 65 HG13 VAL 65 71.192 4.039 2.544 467 2HG1 VAL 65 HG12 VAL 65 70.212 3.573 1.154 468 3HG1 VAL 65 HG11 VAL 65 71.005 2.336 2.129 469 1HG2 VAL 65 HG21 VAL 65 72.323 3.808 -1.278 470 2HG2 VAL 65 HG23 VAL 65 72.350 2.096 -0.856 471 3HG2 VAL 65 HG22 VAL 65 70.860 3.023 -0.681 472 H ASP 66 HN ASP 66 75.175 4.518 1.946 473 HA ASP 66 HA ASP 66 74.267 5.101 4.691 474 1HB ASP 66 HB2 ASP 66 76.575 3.783 3.431 475 2HB ASP 66 HB1 ASP 66 77.005 4.789 4.815 476 H GLU 67 HN GLU 67 73.774 7.404 3.829 477 HA GLU 67 HA GLU 67 75.821 9.235 3.131 478 1HB GLU 67 HB2 GLU 67 74.205 10.922 4.316 479 2HB GLU 67 HB1 GLU 67 73.648 10.075 2.872 480 1HG GLU 67 HG2 GLU 67 73.177 8.526 5.303 481 2HG GLU 67 HG1 GLU 67 72.369 10.094 5.346 482 H ASP 68 HN ASP 68 75.224 7.646 6.112 483 HA ASP 68 HA ASP 68 76.839 9.660 7.603 484 1HB ASP 68 HB2 ASP 68 76.155 8.037 9.563 485 2HB ASP 68 HB1 ASP 68 74.979 9.189 8.929 486 H GLY 69 HN GLY 69 76.890 6.395 6.362 487 1HA GLY 69 HA2 GLY 69 78.764 4.985 6.078 488 2HA GLY 69 HA1 GLY 69 79.761 6.224 6.843 489 H SER 70 HN SER 70 76.854 4.921 8.335 490 HA SER 70 HA SER 70 78.405 4.154 10.694 491 1HB SER 70 HB2 SER 70 76.144 3.419 11.548 492 2HB SER 70 HB1 SER 70 76.221 5.111 11.066 493 HG SER 70 HG SER 70 74.420 3.638 10.268 494 H GLY 71 HN GLY 71 77.818 2.659 7.776 495 1HA GLY 71 HA2 GLY 71 78.205 0.447 7.079 496 2HA GLY 71 HA1 GLY 71 78.794 0.109 8.709 497 H THR 72 HN THR 72 75.626 1.480 8.303 498 HA THR 72 HA THR 72 74.327 -1.173 8.505 499 HB THR 72 HB THR 72 72.988 -0.268 10.502 500 HG1 THR 72 HG1 THR 72 74.292 1.277 11.711 501 1HG2 THR 72 HG21 THR 72 75.114 -1.884 10.405 502 2HG2 THR 72 HG23 THR 72 75.842 -0.560 11.315 503 3HG2 THR 72 HG22 THR 72 74.408 -1.375 11.937 504 H ILE 73 HN ILE 73 72.220 -1.135 7.692 505 HA ILE 73 HA ILE 73 71.320 1.500 6.605 506 HB ILE 73 HB ILE 73 70.646 -1.308 5.688 507 1HG1 ILE 73 HG12 ILE 73 73.016 -0.322 5.290 508 2HG1 ILE 73 HG11 ILE 73 72.152 -0.977 3.901 509 1HG2 ILE 73 HG23 ILE 73 69.828 1.432 4.703 510 2HG2 ILE 73 HG22 ILE 73 69.702 -0.014 3.702 511 3HG2 ILE 73 HG21 ILE 73 68.780 0.103 5.201 512 1HD1 ILE 73 HD13 ILE 73 71.493 1.826 4.338 513 2HD1 ILE 73 HD12 ILE 73 73.227 1.595 4.118 514 3HD1 ILE 73 HD11 ILE 73 72.101 1.034 2.883 515 H ASP 74 HN ASP 74 69.262 2.218 7.108 516 HA ASP 74 HA ASP 74 67.666 0.474 8.946 517 1HB ASP 74 HB2 ASP 74 67.745 3.507 8.888 518 2HB ASP 74 HB1 ASP 74 66.892 2.498 10.058 519 H PHE 75 HN PHE 75 65.246 1.245 8.906 520 HA PHE 75 HA PHE 75 64.165 0.769 6.355 521 1HB PHE 75 HB2 PHE 75 63.004 0.816 8.684 522 2HB PHE 75 HB1 PHE 75 62.744 2.528 8.346 523 HD1 PHE 75 HD2 PHE 75 62.755 -0.422 6.049 524 HD2 PHE 75 HD1 PHE 75 60.469 2.761 7.805 525 HE1 PHE 75 HE2 PHE 75 60.829 -1.000 4.594 526 HE2 PHE 75 HE1 PHE 75 58.545 2.185 6.351 527 HZ PHE 75 HZ PHE 75 58.725 0.302 4.745 528 H GLU 76 HN GLU 76 65.101 3.834 7.853 529 HA GLU 76 HA GLU 76 63.908 5.536 5.869 530 1HB GLU 76 HB2 GLU 76 66.443 6.282 7.301 531 2HB GLU 76 HB1 GLU 76 65.048 7.289 6.911 532 1HG GLU 76 HG2 GLU 76 64.285 6.918 8.996 533 2HG GLU 76 HG1 GLU 76 64.048 5.230 8.549 534 H GLU 77 HN GLU 77 67.266 4.354 6.244 535 HA GLU 77 HA GLU 77 68.148 5.481 3.737 536 1HB GLU 77 HB2 GLU 77 69.294 3.252 5.446 537 2HB GLU 77 HB1 GLU 77 70.118 3.967 4.059 538 1HG GLU 77 HG2 GLU 77 70.136 6.148 5.122 539 2HG GLU 77 HG1 GLU 77 69.159 5.546 6.461 540 H PHE 78 HN PHE 78 66.247 2.754 4.509 541 HA PHE 78 HA PHE 78 67.011 1.003 2.354 542 1HB PHE 78 HB2 PHE 78 65.226 0.898 4.500 543 2HB PHE 78 HB1 PHE 78 64.188 0.863 3.075 544 HD1 PHE 78 HD1 PHE 78 67.022 -0.812 4.781 545 HD2 PHE 78 HD2 PHE 78 64.160 -1.022 1.586 546 HE1 PHE 78 HE1 PHE 78 67.622 -3.188 4.400 547 HE2 PHE 78 HE2 PHE 78 64.760 -3.398 1.205 548 HZ PHE 78 HZ PHE 78 66.492 -4.481 2.611 549 H LEU 79 HN LEU 79 64.067 3.012 2.672 550 HA LEU 79 HA LEU 79 63.102 2.847 0.082 551 1HB LEU 79 HB2 LEU 79 63.253 5.386 1.738 552 2HB LEU 79 HB1 LEU 79 62.129 5.079 0.414 553 HG LEU 79 HG LEU 79 62.293 3.472 2.983 554 1HD1 LEU 79 HD11 LEU 79 60.310 5.537 1.992 555 2HD1 LEU 79 HD13 LEU 79 60.025 4.482 3.375 556 3HD1 LEU 79 HD12 LEU 79 61.340 5.657 3.417 557 1HD2 LEU 79 HD22 LEU 79 61.267 2.814 0.422 558 2HD2 LEU 79 HD21 LEU 79 61.042 1.924 1.927 559 3HD2 LEU 79 HD23 LEU 79 59.874 3.155 1.448 560 H VAL 80 HN VAL 80 65.947 4.570 1.188 561 HA VAL 80 HA VAL 80 66.325 6.220 -1.128 562 HB VAL 80 HB VAL 80 68.364 5.066 0.799 563 1HG1 VAL 80 HG13 VAL 80 68.525 7.025 -1.464 564 2HG1 VAL 80 HG12 VAL 80 69.538 7.283 -0.043 565 3HG1 VAL 80 HG11 VAL 80 69.685 5.790 -0.972 566 1HG2 VAL 80 HG23 VAL 80 66.559 6.503 1.795 567 2HG2 VAL 80 HG22 VAL 80 68.170 7.200 1.945 568 3HG2 VAL 80 HG21 VAL 80 67.060 7.804 0.715 569 H MET 81 HN MET 81 67.842 3.093 -0.245 570 HA MET 81 HA MET 81 69.245 2.692 -2.661 571 1HB MET 81 HB2 MET 81 69.120 1.287 -0.406 572 2HB MET 81 HB1 MET 81 67.950 0.346 -1.331 573 1HG MET 81 HG2 MET 81 69.566 -0.079 -3.075 574 2HG MET 81 HG1 MET 81 70.721 1.033 -2.341 575 1HE MET 81 HE2 MET 81 71.081 0.988 0.076 576 2HE MET 81 HE1 MET 81 70.108 -0.118 1.042 577 3HE MET 81 HE3 MET 81 71.839 -0.415 0.826 578 H MET 82 HN MET 82 65.868 1.987 -1.845 579 HA MET 82 HA MET 82 65.198 0.518 -4.186 580 1HB MET 82 HB2 MET 82 63.406 2.444 -2.676 581 2HB MET 82 HB1 MET 82 62.890 1.092 -3.685 582 1HG MET 82 HG2 MET 82 64.777 0.509 -1.444 583 2HG MET 82 HG1 MET 82 63.095 0.845 -1.035 584 1HE MET 82 HE1 MET 82 65.609 -0.837 -2.888 585 2HE MET 82 HE3 MET 82 65.217 -2.556 -2.726 586 3HE MET 82 HE2 MET 82 64.740 -1.672 -4.174 587 H VAL 83 HN VAL 83 64.740 4.016 -3.541 588 HA VAL 83 HA VAL 83 64.059 4.584 -6.296 589 HB VAL 83 HB VAL 83 65.081 6.553 -4.237 590 1HG1 VAL 83 HG13 VAL 83 64.814 7.301 -6.617 591 2HG1 VAL 83 HG12 VAL 83 63.109 6.861 -6.521 592 3HG1 VAL 83 HG11 VAL 83 63.749 8.148 -5.497 593 1HG2 VAL 83 HG23 VAL 83 63.258 5.143 -3.293 594 2HG2 VAL 83 HG22 VAL 83 62.744 6.813 -3.529 595 3HG2 VAL 83 HG21 VAL 83 62.242 5.567 -4.670 596 H ARG 84 HN ARG 84 66.961 3.743 -4.891 597 HA ARG 84 HA ARG 84 68.776 5.563 -6.177 598 1HB ARG 84 HB2 ARG 84 68.985 3.392 -4.412 599 2HB ARG 84 HB1 ARG 84 69.873 2.895 -5.853 600 1HG ARG 84 HG2 ARG 84 71.588 4.179 -5.165 601 2HG ARG 84 HG1 ARG 84 70.567 5.593 -5.428 602 1HD ARG 84 HD2 ARG 84 69.633 5.278 -3.122 603 2HD ARG 84 HD1 ARG 84 70.804 3.984 -2.870 604 HE ARG 84 HE ARG 84 72.357 5.680 -2.399 605 1HH1 ARG 84 HH11 ARG 84 73.160 6.795 -4.774 606 2HH1 ARG 84 HH12 ARG 84 72.438 8.367 -4.871 607 1HH2 ARG 84 HH21 ARG 84 70.043 7.706 -2.453 608 2HH2 ARG 84 HH22 ARG 84 70.674 8.882 -3.556 609 H GLN 85 HN GLN 85 67.042 2.730 -7.301 610 HA GLN 85 HA GLN 85 68.139 3.236 -10.006 611 1HB GLN 85 HB2 GLN 85 68.516 0.720 -8.415 612 2HB GLN 85 HB1 GLN 85 68.326 0.611 -10.166 613 1HG GLN 85 HG2 GLN 85 70.135 2.483 -10.248 614 2HG GLN 85 HG1 GLN 85 70.489 1.993 -8.591 615 1HE2 GLN 85 HE22 GLN 85 71.362 -0.573 -11.674 616 2HE2 GLN 85 HE21 GLN 85 70.299 0.724 -11.939 617 H MET 86 HN MET 86 65.458 3.268 -8.412 618 HA MET 86 HA MET 86 63.941 1.396 -10.160 619 1HB MET 86 HB2 MET 86 62.219 1.430 -8.590 620 2HB MET 86 HB1 MET 86 63.627 1.637 -7.553 621 1HG MET 86 HG2 MET 86 63.238 4.183 -7.904 622 2HG MET 86 HG1 MET 86 61.631 3.710 -8.451 623 1HE MET 86 HE3 MET 86 60.261 2.230 -7.497 624 2HE MET 86 HE2 MET 86 60.147 1.683 -5.826 625 3HE MET 86 HE1 MET 86 59.544 3.278 -6.266 626 H LYS 87 HN LYS 87 64.400 4.807 -9.447 627 HA LYS 87 HA LYS 87 62.294 5.556 -11.395 628 1HB LYS 87 HB2 LYS 87 63.285 6.745 -9.049 629 2HB LYS 87 HB1 LYS 87 63.865 7.768 -10.362 630 1HG LYS 87 HG2 LYS 87 61.306 7.319 -11.176 631 2HG LYS 87 HG1 LYS 87 61.099 7.289 -9.424 632 1HD LYS 87 HD2 LYS 87 62.781 9.451 -9.798 633 2HD LYS 87 HD1 LYS 87 61.705 9.552 -11.190 634 1HE LYS 87 HE2 LYS 87 60.060 8.908 -8.987 635 2HE LYS 87 HE1 LYS 87 61.146 10.180 -8.428 636 1HZ LYS 87 HZ2 LYS 87 60.564 11.402 -10.507 637 2HZ LYS 87 HZ1 LYS 87 59.354 10.244 -10.788 638 3HZ LYS 87 HZ3 LYS 87 59.282 11.227 -9.408 639 H GLU 88 HN GLU 88 65.666 5.006 -11.265 640 HA GLU 88 HA GLU 88 65.981 6.405 -13.892 641 1HB GLU 88 HB2 GLU 88 67.460 6.758 -11.456 642 2HB GLU 88 HB1 GLU 88 68.528 6.053 -12.671 643 1HG GLU 88 HG2 GLU 88 68.751 8.140 -13.506 644 2HG GLU 88 HG1 GLU 88 67.093 7.977 -14.086 645 H ASP 89 HN ASP 89 66.859 5.163 -15.529 646 HA ASP 89 HA ASP 89 67.730 3.271 -16.614 647 1HB ASP 89 HB2 ASP 89 68.641 2.244 -13.928 648 2HB ASP 89 HB1 ASP 89 69.381 1.996 -15.509 649 H ALA 90 HN ALA 90 65.012 3.329 -15.578 650 HA ALA 90 HA ALA 90 64.558 0.548 -14.649 651 1HB ALA 90 HB2 ALA 90 63.072 3.083 -14.542 652 2HB ALA 90 HB1 ALA 90 62.068 1.695 -14.962 653 3HB ALA 90 HB3 ALA 90 62.997 1.691 -13.462 No H/Q in entry = 653 Start of MODEL 7 1 1H ALA 1 HT3 ALA 1 67.492 12.652 12.813 2 2H ALA 1 HT2 ALA 1 68.643 11.403 12.880 3 3H ALA 1 HT1 ALA 1 68.203 12.232 14.295 4 HA ALA 1 HA ALA 1 69.555 13.956 13.893 5 1HB ALA 1 HB2 ALA 1 70.569 11.625 12.315 6 2HB ALA 1 HB1 ALA 1 71.405 13.170 12.149 7 3HB ALA 1 HB3 ALA 1 71.268 12.407 13.733 8 H SER 2 HN SER 2 68.257 15.566 12.914 9 HA SER 2 HA SER 2 67.422 16.908 11.166 10 1HB SER 2 HB2 SER 2 70.095 16.083 9.995 11 2HB SER 2 HB1 SER 2 69.122 17.447 9.452 12 HG SER 2 HG SER 2 69.453 18.444 11.389 13 H MET 3 HN MET 3 67.754 16.717 8.382 14 HA MET 3 HA MET 3 66.734 13.991 7.729 15 1HB MET 3 HB2 MET 3 65.228 16.458 7.732 16 2HB MET 3 HB1 MET 3 65.335 15.821 6.090 17 1HG MET 3 HG2 MET 3 64.241 13.839 6.640 18 2HG MET 3 HG1 MET 3 64.686 13.949 8.343 19 1HE MET 3 HE2 MET 3 64.172 15.950 9.683 20 2HE MET 3 HE1 MET 3 62.540 16.593 9.851 21 3HE MET 3 HE3 MET 3 62.864 14.887 10.196 22 H THR 4 HN THR 4 67.921 13.184 6.078 23 HA THR 4 HA THR 4 69.748 14.867 4.573 24 HB THR 4 HB THR 4 70.405 12.819 3.456 25 HG1 THR 4 HG1 THR 4 67.920 11.944 4.442 26 1HG2 THR 4 HG22 THR 4 70.402 13.173 6.230 27 2HG2 THR 4 HG21 THR 4 69.876 11.506 5.995 28 3HG2 THR 4 HG23 THR 4 71.412 12.050 5.318 29 H ASP 5 HN ASP 5 69.634 15.346 2.317 30 HA ASP 5 HA ASP 5 66.986 15.906 1.328 31 1HB ASP 5 HB2 ASP 5 69.393 15.783 -0.468 32 2HB ASP 5 HB1 ASP 5 68.053 16.929 -0.483 33 H GLN 6 HN GLN 6 69.352 13.347 0.669 34 HA GLN 6 HA GLN 6 68.110 12.165 -1.578 35 1HB GLN 6 HB2 GLN 6 69.236 10.082 -0.890 36 2HB GLN 6 HB1 GLN 6 70.320 11.462 -0.713 37 1HG GLN 6 HG2 GLN 6 69.659 11.593 1.705 38 2HG GLN 6 HG1 GLN 6 68.739 10.103 1.488 39 1HE2 GLN 6 HE22 GLN 6 71.596 8.018 1.554 40 2HE2 GLN 6 HE21 GLN 6 69.912 8.110 1.354 41 H GLN 7 HN GLN 7 67.460 11.693 1.891 42 HA GLN 7 HA GLN 7 65.371 9.723 1.395 43 1HB GLN 7 HB2 GLN 7 66.113 11.330 3.857 44 2HB GLN 7 HB1 GLN 7 64.871 10.077 3.835 45 1HG GLN 7 HG2 GLN 7 66.749 8.576 2.816 46 2HG GLN 7 HG1 GLN 7 67.845 9.791 3.475 47 1HE2 GLN 7 HE22 GLN 7 67.459 7.344 6.198 48 2HE2 GLN 7 HE21 GLN 7 68.225 7.435 4.685 49 H ALA 8 HN ALA 8 65.554 13.176 1.452 50 HA ALA 8 HA ALA 8 62.783 13.695 2.095 51 1HB ALA 8 HB3 ALA 8 64.995 15.264 1.869 52 2HB ALA 8 HB2 ALA 8 64.193 15.616 0.338 53 3HB ALA 8 HB1 ALA 8 63.348 15.893 1.862 54 H GLU 9 HN GLU 9 64.554 13.093 -0.909 55 HA GLU 9 HA GLU 9 62.170 13.643 -2.544 56 1HB GLU 9 HB2 GLU 9 64.917 12.563 -3.238 57 2HB GLU 9 HB1 GLU 9 63.647 12.864 -4.424 58 1HG GLU 9 HG2 GLU 9 63.587 15.230 -3.811 59 2HG GLU 9 HG1 GLU 9 64.785 14.956 -2.547 60 H ALA 10 HN ALA 10 63.949 10.838 -1.324 61 HA ALA 10 HA ALA 10 62.581 8.857 -2.877 62 1HB ALA 10 HB2 ALA 10 63.831 8.647 -0.121 63 2HB ALA 10 HB1 ALA 10 63.341 7.276 -1.114 64 3HB ALA 10 HB3 ALA 10 64.642 8.336 -1.656 65 H ARG 11 HN ARG 11 61.894 10.267 0.321 66 HA ARG 11 HA ARG 11 59.586 8.614 0.826 67 1HB ARG 11 HB2 ARG 11 60.997 10.111 2.458 68 2HB ARG 11 HB1 ARG 11 59.880 11.381 1.961 69 1HG ARG 11 HG2 ARG 11 58.247 10.543 3.263 70 2HG ARG 11 HG1 ARG 11 58.435 8.943 2.544 71 1HD ARG 11 HD2 ARG 11 59.383 8.225 4.451 72 2HD ARG 11 HD1 ARG 11 60.700 9.370 4.203 73 HE ARG 11 HE ARG 11 58.639 9.635 6.173 74 1HH1 ARG 11 HH21 ARG 11 61.372 11.114 5.179 75 2HH1 ARG 11 HH22 ARG 11 60.838 12.745 5.406 76 1HH2 ARG 11 HH11 ARG 11 57.516 11.873 5.881 77 2HH2 ARG 11 HH12 ARG 11 58.656 13.176 5.803 78 H ALA 12 HN ALA 12 60.108 11.545 -0.998 79 HA ALA 12 HA ALA 12 57.322 12.348 -1.085 80 1HB ALA 12 HB1 ALA 12 59.859 13.180 -2.364 81 2HB ALA 12 HB3 ALA 12 58.404 13.474 -3.316 82 3HB ALA 12 HB2 ALA 12 58.558 14.167 -1.702 83 H PHE 13 HN PHE 13 59.376 10.245 -3.036 84 HA PHE 13 HA PHE 13 57.285 9.931 -5.085 85 1HB PHE 13 HB2 PHE 13 59.626 9.912 -5.794 86 2HB PHE 13 HB1 PHE 13 59.964 8.558 -4.714 87 HD1 PHE 13 HD1 PHE 13 57.313 9.401 -7.240 88 HD2 PHE 13 HD2 PHE 13 60.147 6.515 -5.797 89 HE1 PHE 13 HE1 PHE 13 56.592 7.812 -9.005 90 HE2 PHE 13 HE2 PHE 13 59.428 4.924 -7.560 91 HZ PHE 13 HZ PHE 13 57.650 5.574 -9.165 92 H LEU 14 HN LEU 14 58.411 8.300 -2.209 93 HA LEU 14 HA LEU 14 56.838 5.876 -2.865 94 1HB LEU 14 HB2 LEU 14 58.466 6.499 -0.382 95 2HB LEU 14 HB1 LEU 14 57.822 4.925 -0.849 96 HG LEU 14 HG LEU 14 59.799 6.519 -2.504 97 1HD1 LEU 14 HD12 LEU 14 60.356 5.287 -0.126 98 2HD1 LEU 14 HD11 LEU 14 60.618 3.966 -1.262 99 3HD1 LEU 14 HD13 LEU 14 61.519 5.472 -1.439 100 1HD2 LEU 14 HD21 LEU 14 58.067 4.455 -3.217 101 2HD2 LEU 14 HD23 LEU 14 59.523 4.928 -4.093 102 3HD2 LEU 14 HD22 LEU 14 59.594 3.628 -2.903 103 H SER 15 HN SER 15 54.797 5.579 -2.091 104 HA SER 15 HA SER 15 53.717 7.626 -0.232 105 1HB SER 15 HB2 SER 15 51.520 6.785 -0.895 106 2HB SER 15 HB1 SER 15 52.481 7.107 -2.335 107 HG SER 15 HG SER 15 53.098 4.722 -1.904 108 H GLU 16 HN GLU 16 52.057 6.668 1.408 109 HA GLU 16 HA GLU 16 53.448 4.984 3.230 110 1HB GLU 16 HB2 GLU 16 50.521 5.717 2.995 111 2HB GLU 16 HB1 GLU 16 51.161 4.755 4.328 112 1HG GLU 16 HG2 GLU 16 52.642 6.545 4.996 113 2HG GLU 16 HG1 GLU 16 52.229 7.485 3.562 114 H GLU 17 HN GLU 17 51.155 4.227 0.657 115 HA GLU 17 HA GLU 17 50.679 1.502 1.460 116 1HB GLU 17 HB2 GLU 17 49.680 1.217 -0.706 117 2HB GLU 17 HB1 GLU 17 49.286 2.852 -0.177 118 1HG GLU 17 HG2 GLU 17 50.183 3.588 -2.110 119 2HG GLU 17 HG1 GLU 17 51.755 3.111 -1.467 120 H MET 18 HN MET 18 53.270 3.078 -0.272 121 HA MET 18 HA MET 18 54.331 0.535 -1.310 122 1HB MET 18 HB2 MET 18 55.045 3.426 -1.543 123 2HB MET 18 HB1 MET 18 56.336 2.245 -1.777 124 1HG MET 18 HG2 MET 18 55.456 1.478 -3.736 125 2HG MET 18 HG1 MET 18 53.795 1.620 -3.160 126 1HE MET 18 HE1 MET 18 56.923 3.204 -4.084 127 2HE MET 18 HE3 MET 18 56.324 3.408 -5.736 128 3HE MET 18 HE2 MET 18 56.594 4.816 -4.713 129 H ILE 19 HN ILE 19 55.629 3.082 0.860 130 HA ILE 19 HA ILE 19 57.848 1.686 1.828 131 HB ILE 19 HB ILE 19 56.003 3.621 3.251 132 1HG1 ILE 19 HG12 ILE 19 58.716 4.480 2.693 133 2HG1 ILE 19 HG11 ILE 19 57.926 3.926 1.217 134 1HG2 ILE 19 HG21 ILE 19 57.221 2.182 4.876 135 2HG2 ILE 19 HG23 ILE 19 58.743 2.636 4.106 136 3HG2 ILE 19 HG22 ILE 19 57.771 3.856 4.930 137 1HD1 ILE 19 HD11 ILE 19 56.793 5.957 3.163 138 2HD1 ILE 19 HD13 ILE 19 57.502 6.328 1.591 139 3HD1 ILE 19 HD12 ILE 19 56.006 5.401 1.686 140 H ALA 20 HN ALA 20 54.469 1.180 2.564 141 HA ALA 20 HA ALA 20 54.818 -0.317 4.990 142 1HB ALA 20 HB2 ALA 20 52.654 0.208 3.070 143 2HB ALA 20 HB1 ALA 20 52.560 -1.385 3.818 144 3HB ALA 20 HB3 ALA 20 52.587 0.061 4.826 145 H GLU 21 HN GLU 21 54.633 -1.308 1.571 146 HA GLU 21 HA GLU 21 54.783 -4.121 2.046 147 1HB GLU 21 HB2 GLU 21 55.734 -2.490 -0.329 148 2HB GLU 21 HB1 GLU 21 55.571 -4.246 -0.316 149 1HG GLU 21 HG2 GLU 21 53.304 -2.316 0.253 150 2HG GLU 21 HG1 GLU 21 53.583 -3.095 -1.305 151 H PHE 22 HN PHE 22 57.382 -1.814 1.180 152 HA PHE 22 HA PHE 22 59.536 -3.634 1.327 153 1HB PHE 22 HB2 PHE 22 59.787 -0.786 2.283 154 2HB PHE 22 HB1 PHE 22 60.953 -1.752 1.378 155 HD1 PHE 22 HD1 PHE 22 59.225 -2.935 -0.720 156 HD2 PHE 22 HD2 PHE 22 59.342 1.055 0.866 157 HE1 PHE 22 HE1 PHE 22 58.301 -2.062 -2.850 158 HE2 PHE 22 HE2 PHE 22 58.418 1.928 -1.264 159 HZ PHE 22 HZ PHE 22 57.897 0.369 -3.120 160 H LYS 23 HN LYS 23 57.874 -1.874 3.907 161 HA LYS 23 HA LYS 23 59.690 -2.314 6.021 162 1HB LYS 23 HB2 LYS 23 57.183 -1.221 5.813 163 2HB LYS 23 HB1 LYS 23 56.854 -2.687 6.738 164 1HG LYS 23 HG2 LYS 23 59.141 -0.863 7.475 165 2HG LYS 23 HG1 LYS 23 57.505 -0.555 8.058 166 1HD LYS 23 HD2 LYS 23 57.443 -2.895 8.958 167 2HD LYS 23 HD1 LYS 23 59.138 -3.070 8.499 168 1HE LYS 23 HE2 LYS 23 59.705 -2.145 10.470 169 2HE LYS 23 HE1 LYS 23 58.975 -0.637 9.918 170 1HZ LYS 23 HZ1 LYS 23 56.803 -1.590 10.692 171 2HZ LYS 23 HZ3 LYS 23 57.689 -2.823 11.450 172 3HZ LYS 23 HZ2 LYS 23 57.909 -1.206 11.924 173 H ALA 24 HN ALA 24 57.147 -4.466 4.762 174 HA ALA 24 HA ALA 24 57.363 -6.520 6.689 175 1HB ALA 24 HB2 ALA 24 56.147 -6.173 4.126 176 2HB ALA 24 HB1 ALA 24 56.994 -7.719 4.123 177 3HB ALA 24 HB3 ALA 24 55.774 -7.383 5.353 178 H ALA 25 HN ALA 25 59.166 -6.152 3.617 179 HA ALA 25 HA ALA 25 60.793 -8.495 4.070 180 1HB ALA 25 HB3 ALA 25 60.488 -6.487 2.029 181 2HB ALA 25 HB2 ALA 25 62.201 -6.686 2.402 182 3HB ALA 25 HB1 ALA 25 61.238 -8.078 1.904 183 H PHE 26 HN PHE 26 60.956 -5.213 5.189 184 HA PHE 26 HA PHE 26 63.743 -4.975 5.686 185 1HB PHE 26 HB2 PHE 26 61.893 -3.202 5.951 186 2HB PHE 26 HB1 PHE 26 61.619 -3.902 7.545 187 HD1 PHE 26 HD1 PHE 26 64.716 -3.199 5.531 188 HD2 PHE 26 HD2 PHE 26 62.569 -2.573 9.200 189 HE1 PHE 26 HE1 PHE 26 66.631 -1.909 6.432 190 HE2 PHE 26 HE2 PHE 26 64.486 -1.284 10.100 191 HZ PHE 26 HZ PHE 26 66.515 -0.950 8.716 192 H ASP 27 HN ASP 27 61.344 -5.608 8.266 193 HA ASP 27 HA ASP 27 63.170 -6.634 10.143 194 1HB ASP 27 HB2 ASP 27 60.230 -7.089 9.686 195 2HB ASP 27 HB1 ASP 27 61.077 -7.975 10.953 196 H MET 28 HN MET 28 61.989 -8.093 7.243 197 HA MET 28 HA MET 28 62.218 -10.847 7.874 198 1HB MET 28 HB2 MET 28 61.721 -9.350 5.580 199 2HB MET 28 HB1 MET 28 63.226 -10.193 5.211 200 1HG MET 28 HG2 MET 28 61.689 -12.145 6.452 201 2HG MET 28 HG1 MET 28 60.517 -11.264 5.473 202 1HE MET 28 HE2 MET 28 63.913 -12.622 5.753 203 2HE MET 28 HE1 MET 28 64.309 -13.429 4.236 204 3HE MET 28 HE3 MET 28 64.485 -11.674 4.381 205 H PHE 29 HN PHE 29 64.701 -8.680 6.460 206 HA PHE 29 HA PHE 29 66.773 -10.714 6.901 207 1HB PHE 29 HB2 PHE 29 67.260 -7.840 6.120 208 2HB PHE 29 HB1 PHE 29 68.232 -9.260 5.733 209 HD1 PHE 29 HD2 PHE 29 65.174 -7.373 4.926 210 HD2 PHE 29 HD1 PHE 29 67.561 -10.815 3.976 211 HE1 PHE 29 HE2 PHE 29 63.895 -7.679 2.823 212 HE2 PHE 29 HE1 PHE 29 66.282 -11.121 1.872 213 HZ PHE 29 HZ PHE 29 64.450 -9.553 1.296 214 H ASP 30 HN ASP 30 65.205 -8.887 9.030 215 HA ASP 30 HA ASP 30 67.673 -8.205 10.580 216 1HB ASP 30 HB2 ASP 30 65.750 -6.451 9.886 217 2HB ASP 30 HB1 ASP 30 65.038 -7.068 11.378 218 H ALA 31 HN ALA 31 67.766 -10.420 11.377 219 HA ALA 31 HA ALA 31 65.517 -11.514 12.881 220 1HB ALA 31 HB1 ALA 31 68.394 -12.344 12.486 221 2HB ALA 31 HB3 ALA 31 67.338 -13.186 13.621 222 3HB ALA 31 HB2 ALA 31 66.935 -13.145 11.906 223 H ASP 32 HN ASP 32 68.417 -9.665 13.602 224 HA ASP 32 HA ASP 32 68.349 -10.084 16.461 225 1HB ASP 32 HB2 ASP 32 69.981 -8.324 16.582 226 2HB ASP 32 HB1 ASP 32 70.332 -9.235 15.113 227 H GLY 33 HN GLY 33 66.733 -7.887 14.260 228 1HA GLY 33 HA2 GLY 33 64.879 -6.492 14.677 229 2HA GLY 33 HA1 GLY 33 64.851 -7.105 16.331 230 H GLY 34 HN GLY 34 67.442 -5.413 14.552 231 1HA GLY 34 HA2 GLY 34 67.643 -3.529 16.842 232 2HA GLY 34 HA1 GLY 34 68.875 -3.769 15.603 233 H GLY 35 HN GLY 35 66.099 -3.677 13.891 234 1HA GLY 35 HA2 GLY 35 64.791 -1.885 12.976 235 2HA GLY 35 HA1 GLY 35 65.804 -0.734 13.849 236 H ASP 36 HN ASP 36 67.722 -3.059 12.348 237 HA ASP 36 HA ASP 36 67.827 -1.842 9.698 238 1HB ASP 36 HB2 ASP 36 70.356 -1.251 10.156 239 2HB ASP 36 HB1 ASP 36 69.093 -0.100 10.588 240 H ILE 37 HN ILE 37 68.819 -3.243 8.266 241 HA ILE 37 HA ILE 37 70.003 -5.700 9.473 242 HB ILE 37 HB ILE 37 68.484 -6.709 8.138 243 1HG1 ILE 37 HG12 ILE 37 70.713 -6.834 6.785 244 2HG1 ILE 37 HG11 ILE 37 69.215 -7.305 5.988 245 1HG2 ILE 37 HG23 ILE 37 67.298 -4.541 7.858 246 2HG2 ILE 37 HG22 ILE 37 68.295 -4.204 6.442 247 3HG2 ILE 37 HG21 ILE 37 67.174 -5.565 6.428 248 1HD1 ILE 37 HD12 ILE 37 70.370 -4.510 5.816 249 2HD1 ILE 37 HD11 ILE 37 70.696 -5.767 4.623 250 3HD1 ILE 37 HD13 ILE 37 69.048 -5.183 4.865 251 H SER 38 HN SER 38 71.921 -6.589 8.439 252 HA SER 38 HA SER 38 73.869 -4.555 7.804 253 1HB SER 38 HB2 SER 38 75.188 -6.741 7.086 254 2HB SER 38 HB1 SER 38 74.875 -6.400 8.785 255 HG SER 38 HG SER 38 74.279 -8.568 7.760 256 H THR 39 HN THR 39 74.682 -3.938 5.801 257 HA THR 39 HA THR 39 73.032 -4.177 3.502 258 HB THR 39 HB THR 39 74.821 -3.119 2.292 259 HG1 THR 39 HG1 THR 39 76.393 -4.236 4.348 260 1HG2 THR 39 HG21 THR 39 74.153 -2.296 5.012 261 2HG2 THR 39 HG23 THR 39 75.718 -1.672 4.490 262 3HG2 THR 39 HG22 THR 39 74.270 -1.325 3.544 263 H LYS 40 HN LYS 40 75.465 -6.300 4.794 264 HA LYS 40 HA LYS 40 76.235 -7.725 2.474 265 1HB LYS 40 HB2 LYS 40 75.698 -9.056 5.134 266 2HB LYS 40 HB1 LYS 40 76.928 -9.465 3.936 267 1HG LYS 40 HG2 LYS 40 77.320 -6.738 4.640 268 2HG LYS 40 HG1 LYS 40 77.130 -7.641 6.144 269 1HD LYS 40 HD2 LYS 40 79.204 -8.478 5.923 270 2HD LYS 40 HD1 LYS 40 78.769 -9.176 4.362 271 1HE LYS 40 HE2 LYS 40 79.787 -7.514 3.197 272 2HE LYS 40 HE1 LYS 40 79.203 -6.263 4.296 273 1HZ LYS 40 HZ3 LYS 40 81.223 -8.108 5.314 274 2HZ LYS 40 HZ2 LYS 40 81.733 -6.957 4.175 275 3HZ LYS 40 HZ1 LYS 40 81.008 -6.454 5.626 276 H ALA 41 HN ALA 41 73.373 -8.110 4.552 277 HA ALA 41 HA ALA 41 72.363 -10.359 2.986 278 1HB ALA 41 HB3 ALA 41 71.845 -9.386 5.514 279 2HB ALA 41 HB2 ALA 41 70.417 -8.871 4.615 280 3HB ALA 41 HB1 ALA 41 70.856 -10.578 4.671 281 H LEU 42 HN LEU 42 72.237 -6.916 2.784 282 HA LEU 42 HA LEU 42 69.775 -6.502 1.456 283 1HB LEU 42 HB2 LEU 42 72.124 -4.997 1.989 284 2HB LEU 42 HB1 LEU 42 71.825 -4.874 0.255 285 HG LEU 42 HG LEU 42 69.645 -3.977 0.588 286 1HD1 LEU 42 HD12 LEU 42 69.770 -5.496 3.027 287 2HD1 LEU 42 HD11 LEU 42 69.353 -3.827 3.414 288 3HD1 LEU 42 HD13 LEU 42 68.365 -4.743 2.276 289 1HD2 LEU 42 HD21 LEU 42 71.609 -2.466 1.135 290 2HD2 LEU 42 HD23 LEU 42 70.078 -1.986 1.865 291 3HD2 LEU 42 HD22 LEU 42 71.297 -2.804 2.838 292 H GLY 43 HN GLY 43 72.881 -7.658 0.204 293 1HA GLY 43 HA2 GLY 43 72.423 -7.510 -2.553 294 2HA GLY 43 HA1 GLY 43 73.313 -8.833 -1.793 295 H THR 44 HN THR 44 71.333 -10.024 -0.276 296 HA THR 44 HA THR 44 69.853 -11.475 -2.316 297 HB THR 44 HB THR 44 69.888 -11.601 0.708 298 HG1 THR 44 HG1 THR 44 71.680 -12.484 -0.240 299 1HG2 THR 44 HG23 THR 44 68.199 -13.078 -1.305 300 2HG2 THR 44 HG22 THR 44 68.610 -13.802 0.251 301 3HG2 THR 44 HG21 THR 44 67.692 -12.297 0.193 302 H VAL 45 HN VAL 45 69.184 -8.819 -0.142 303 HA VAL 45 HA VAL 45 66.331 -8.999 -0.102 304 HB VAL 45 HB VAL 45 68.072 -6.516 0.003 305 1HG1 VAL 45 HG11 VAL 45 65.318 -6.701 -0.227 306 2HG1 VAL 45 HG13 VAL 45 65.562 -6.586 1.516 307 3HG1 VAL 45 HG12 VAL 45 66.196 -5.330 0.452 308 1HG2 VAL 45 HG22 VAL 45 68.504 -8.419 1.689 309 2HG2 VAL 45 HG21 VAL 45 68.167 -6.822 2.358 310 3HG2 VAL 45 HG23 VAL 45 66.904 -8.050 2.330 311 H MET 46 HN MET 46 68.580 -7.524 -2.411 312 HA MET 46 HA MET 46 66.673 -6.131 -3.994 313 1HB MET 46 HB2 MET 46 69.391 -7.293 -4.500 314 2HB MET 46 HB1 MET 46 68.441 -6.723 -5.872 315 1HG MET 46 HG2 MET 46 68.381 -4.838 -3.644 316 2HG MET 46 HG1 MET 46 70.023 -5.142 -4.210 317 1HE MET 46 HE1 MET 46 67.560 -3.023 -4.111 318 2HE MET 46 HE3 MET 46 68.858 -2.030 -4.787 319 3HE MET 46 HE2 MET 46 67.322 -2.177 -5.638 320 H ARG 47 HN ARG 47 68.082 -9.375 -4.609 321 HA ARG 47 HA ARG 47 66.304 -10.024 -6.742 322 1HB ARG 47 HB2 ARG 47 68.499 -11.205 -5.839 323 2HB ARG 47 HB1 ARG 47 67.338 -12.171 -4.928 324 1HG ARG 47 HG2 ARG 47 66.246 -12.912 -6.921 325 2HG ARG 47 HG1 ARG 47 67.092 -11.721 -7.908 326 1HD ARG 47 HD2 ARG 47 68.011 -14.083 -8.060 327 2HD ARG 47 HD1 ARG 47 69.192 -12.849 -7.624 328 HE ARG 47 HE ARG 47 68.831 -13.610 -5.221 329 1HH1 ARG 47 HH11 ARG 47 67.033 -15.485 -4.710 330 2HH1 ARG 47 HH12 ARG 47 67.637 -17.019 -5.242 331 1HH2 ARG 47 HH21 ARG 47 70.070 -15.647 -7.297 332 2HH2 ARG 47 HH22 ARG 47 69.357 -17.110 -6.706 333 H MET 48 HN MET 48 65.812 -9.926 -3.322 334 HA MET 48 HA MET 48 63.637 -11.835 -3.216 335 1HB MET 48 HB2 MET 48 65.072 -10.202 -1.367 336 2HB MET 48 HB1 MET 48 63.353 -9.846 -1.179 337 1HG MET 48 HG2 MET 48 64.284 -12.700 -1.382 338 2HG MET 48 HG1 MET 48 64.380 -11.847 0.159 339 1HE MET 48 HE2 MET 48 62.910 -10.828 1.284 340 2HE MET 48 HE1 MET 48 61.310 -10.316 0.756 341 3HE MET 48 HE3 MET 48 61.495 -11.764 1.754 342 H LEU 49 HN LEU 49 63.784 -8.275 -3.463 343 HA LEU 49 HA LEU 49 60.923 -7.934 -3.531 344 1HB LEU 49 HB2 LEU 49 62.884 -6.047 -4.830 345 2HB LEU 49 HB1 LEU 49 61.360 -5.667 -4.028 346 HG LEU 49 HG LEU 49 63.959 -6.546 -2.752 347 1HD1 LEU 49 HD13 LEU 49 63.192 -4.066 -3.337 348 2HD1 LEU 49 HD12 LEU 49 62.250 -4.256 -1.858 349 3HD1 LEU 49 HD11 LEU 49 64.004 -4.428 -1.813 350 1HD2 LEU 49 HD22 LEU 49 61.202 -6.326 -1.495 351 2HD2 LEU 49 HD21 LEU 49 62.111 -7.820 -1.734 352 3HD2 LEU 49 HD23 LEU 49 62.705 -6.594 -0.612 353 H GLY 50 HN GLY 50 63.392 -8.350 -6.049 354 1HA GLY 50 HA2 GLY 50 62.126 -9.732 -7.951 355 2HA GLY 50 HA1 GLY 50 61.303 -8.185 -8.142 356 H GLN 51 HN GLN 51 63.864 -6.776 -7.333 357 HA GLN 51 HA GLN 51 65.153 -6.962 -10.017 358 1HB GLN 51 HB2 GLN 51 65.940 -4.689 -9.625 359 2HB GLN 51 HB1 GLN 51 64.204 -4.751 -9.320 360 1HG GLN 51 HG2 GLN 51 65.183 -5.381 -6.849 361 2HG GLN 51 HG1 GLN 51 66.430 -4.278 -7.435 362 1HE2 GLN 51 HE22 GLN 51 62.997 -2.726 -6.134 363 2HE2 GLN 51 HE21 GLN 51 63.515 -4.306 -5.793 364 H ASN 52 HN ASN 52 67.189 -7.778 -10.131 365 HA ASN 52 HA ASN 52 68.879 -7.714 -7.674 366 1HB ASN 52 HB2 ASN 52 67.937 -9.953 -7.762 367 2HB ASN 52 HB1 ASN 52 68.376 -10.110 -9.464 368 1HD2 ASN 52 HD22 ASN 52 71.662 -9.814 -7.030 369 2HD2 ASN 52 HD21 ASN 52 70.436 -8.643 -6.939 370 HA PRO 53 HA PRO 53 71.308 -6.164 -11.192 371 1HB PRO 53 HB2 PRO 53 72.666 -4.318 -9.673 372 2HB PRO 53 HB1 PRO 53 71.085 -4.007 -10.410 373 1HG PRO 53 HG2 PRO 53 71.750 -4.548 -7.553 374 2HG PRO 53 HG1 PRO 53 70.390 -3.642 -8.236 375 1HD PRO 53 HD2 PRO 53 70.281 -6.288 -7.241 376 2HD PRO 53 HD1 PRO 53 69.036 -5.492 -8.228 377 H THR 54 HN THR 54 73.888 -5.690 -11.065 378 HA THR 54 HA THR 54 75.064 -8.185 -10.093 379 HB THR 54 HB THR 54 75.916 -7.402 -12.180 380 HG1 THR 54 HG1 THR 54 78.042 -7.313 -11.705 381 1HG2 THR 54 HG22 THR 54 75.739 -4.791 -10.822 382 2HG2 THR 54 HG21 THR 54 77.159 -4.988 -11.850 383 3HG2 THR 54 HG23 THR 54 75.543 -5.190 -12.528 384 H LYS 55 HN LYS 55 76.819 -8.287 -8.554 385 HA LYS 55 HA LYS 55 76.443 -6.834 -6.170 386 1HB LYS 55 HB2 LYS 55 79.039 -8.070 -7.137 387 2HB LYS 55 HB1 LYS 55 78.610 -7.717 -5.464 388 1HG LYS 55 HG2 LYS 55 77.092 -9.621 -7.273 389 2HG LYS 55 HG1 LYS 55 78.254 -10.113 -6.039 390 1HD LYS 55 HD2 LYS 55 76.757 -8.644 -4.450 391 2HD LYS 55 HD1 LYS 55 75.531 -8.895 -5.695 392 1HE LYS 55 HE2 LYS 55 77.095 -11.160 -4.434 393 2HE LYS 55 HE1 LYS 55 75.526 -10.622 -3.838 394 1HZ LYS 55 HZ1 LYS 55 75.365 -10.941 -6.615 395 2HZ LYS 55 HZ3 LYS 55 76.063 -12.345 -5.971 396 3HZ LYS 55 HZ2 LYS 55 74.551 -11.814 -5.406 397 H GLU 56 HN GLU 56 78.387 -6.063 -8.999 398 HA GLU 56 HA GLU 56 80.053 -4.051 -7.924 399 1HB GLU 56 HB2 GLU 56 79.743 -5.057 -10.393 400 2HB GLU 56 HB1 GLU 56 78.826 -3.564 -10.599 401 1HG GLU 56 HG2 GLU 56 80.725 -2.232 -9.889 402 2HG GLU 56 HG1 GLU 56 81.643 -3.684 -9.486 403 H GLU 57 HN GLU 57 76.806 -3.669 -9.393 404 HA GLU 57 HA GLU 57 76.603 -0.873 -8.773 405 1HB GLU 57 HB2 GLU 57 74.941 -2.918 -9.953 406 2HB GLU 57 HB1 GLU 57 73.997 -1.964 -8.809 407 1HG GLU 57 HG2 GLU 57 74.566 0.088 -9.918 408 2HG GLU 57 HG1 GLU 57 75.775 -0.719 -10.917 409 H LEU 58 HN LEU 58 76.133 -3.751 -6.879 410 HA LEU 58 HA LEU 58 74.414 -2.614 -4.867 411 1HB LEU 58 HB2 LEU 58 74.857 -5.081 -5.223 412 2HB LEU 58 HB1 LEU 58 76.439 -4.834 -4.484 413 HG LEU 58 HG LEU 58 74.027 -3.822 -3.031 414 1HD1 LEU 58 HD13 LEU 58 73.816 -6.325 -3.916 415 2HD1 LEU 58 HD12 LEU 58 74.898 -6.646 -2.561 416 3HD1 LEU 58 HD11 LEU 58 73.328 -5.895 -2.277 417 1HD2 LEU 58 HD21 LEU 58 76.838 -4.600 -2.490 418 2HD2 LEU 58 HD23 LEU 58 75.854 -3.345 -1.737 419 3HD2 LEU 58 HD22 LEU 58 75.680 -5.026 -1.232 420 H ASP 59 HN ASP 59 77.942 -3.262 -4.799 421 HA ASP 59 HA ASP 59 78.573 -2.054 -2.375 422 1HB ASP 59 HB2 ASP 59 80.072 -3.136 -4.307 423 2HB ASP 59 HB1 ASP 59 80.366 -1.438 -4.682 424 H ALA 60 HN ALA 60 78.435 -0.398 -5.550 425 HA ALA 60 HA ALA 60 78.961 2.213 -4.566 426 1HB ALA 60 HB1 ALA 60 77.364 1.260 -6.954 427 2HB ALA 60 HB3 ALA 60 77.703 2.962 -6.643 428 3HB ALA 60 HB2 ALA 60 79.029 1.839 -6.937 429 H ILE 61 HN ILE 61 75.949 0.374 -4.782 430 HA ILE 61 HA ILE 61 74.168 2.509 -4.130 431 HB ILE 61 HB ILE 61 74.047 -0.491 -3.873 432 1HG1 ILE 61 HG12 ILE 61 72.488 1.592 -5.436 433 2HG1 ILE 61 HG11 ILE 61 73.719 0.508 -6.083 434 1HG2 ILE 61 HG22 ILE 61 72.836 0.413 -1.917 435 2HG2 ILE 61 HG21 ILE 61 71.901 1.462 -2.983 436 3HG2 ILE 61 HG23 ILE 61 71.720 -0.289 -3.087 437 1HD1 ILE 61 HD11 ILE 61 71.908 -1.173 -4.755 438 2HD1 ILE 61 HD13 ILE 61 70.901 -0.002 -5.609 439 3HD1 ILE 61 HD12 ILE 61 72.074 -0.974 -6.501 440 H ILE 62 HN ILE 62 76.094 0.323 -2.112 441 HA ILE 62 HA ILE 62 74.935 1.044 0.400 442 HB ILE 62 HB ILE 62 77.742 0.114 -0.277 443 1HG1 ILE 62 HG12 ILE 62 75.274 -1.343 0.726 444 2HG1 ILE 62 HG11 ILE 62 75.974 -1.482 -0.887 445 1HG2 ILE 62 HG22 ILE 62 76.447 0.907 2.256 446 2HG2 ILE 62 HG21 ILE 62 77.243 -0.667 2.300 447 3HG2 ILE 62 HG23 ILE 62 78.161 0.774 1.862 448 1HD1 ILE 62 HD13 ILE 62 78.157 -2.144 0.376 449 2HD1 ILE 62 HD12 ILE 62 77.083 -2.454 1.739 450 3HD1 ILE 62 HD11 ILE 62 76.873 -3.344 0.230 451 H GLU 63 HN GLU 63 77.608 2.453 -1.470 452 HA GLU 63 HA GLU 63 78.389 4.361 0.533 453 1HB GLU 63 HB2 GLU 63 79.299 3.607 -1.998 454 2HB GLU 63 HB1 GLU 63 78.789 5.284 -2.202 455 1HG GLU 63 HG2 GLU 63 80.695 4.242 -0.085 456 2HG GLU 63 HG1 GLU 63 81.135 5.209 -1.493 457 H GLU 64 HN GLU 64 75.990 4.428 -2.067 458 HA GLU 64 HA GLU 64 75.388 7.263 -1.612 459 1HB GLU 64 HB2 GLU 64 74.244 5.103 -3.373 460 2HB GLU 64 HB1 GLU 64 73.402 6.640 -3.172 461 1HG GLU 64 HG2 GLU 64 75.795 7.650 -3.684 462 2HG GLU 64 HG1 GLU 64 76.051 6.086 -4.459 463 H VAL 65 HN VAL 65 74.466 4.282 -0.209 464 HA VAL 65 HA VAL 65 71.885 5.374 0.768 465 HB VAL 65 HB VAL 65 73.146 2.654 1.234 466 1HG1 VAL 65 HG12 VAL 65 70.836 4.012 2.340 467 2HG1 VAL 65 HG11 VAL 65 70.340 2.574 1.449 468 3HG1 VAL 65 HG13 VAL 65 71.507 2.438 2.766 469 1HG2 VAL 65 HG21 VAL 65 72.240 3.613 -1.159 470 2HG2 VAL 65 HG23 VAL 65 72.168 1.915 -0.692 471 3HG2 VAL 65 HG22 VAL 65 70.754 2.949 -0.483 472 H ASP 66 HN ASP 66 75.161 4.945 1.761 473 HA ASP 66 HA ASP 66 74.519 5.092 4.634 474 1HB ASP 66 HB2 ASP 66 76.906 4.549 2.991 475 2HB ASP 66 HB1 ASP 66 77.229 5.499 4.443 476 H GLU 67 HN GLU 67 73.339 7.239 4.017 477 HA GLU 67 HA GLU 67 74.857 9.572 3.362 478 1HB GLU 67 HB2 GLU 67 72.930 10.833 4.112 479 2HB GLU 67 HB1 GLU 67 72.348 9.389 3.283 480 1HG GLU 67 HG2 GLU 67 72.630 8.507 5.884 481 2HG GLU 67 HG1 GLU 67 72.067 10.165 6.101 482 H ASP 68 HN ASP 68 74.325 7.866 6.381 483 HA ASP 68 HA ASP 68 75.723 10.042 7.857 484 1HB ASP 68 HB2 ASP 68 75.066 8.512 9.862 485 2HB ASP 68 HB1 ASP 68 73.795 9.439 9.065 486 H GLY 69 HN GLY 69 76.499 7.300 6.186 487 1HA GLY 69 HA2 GLY 69 78.351 5.859 6.217 488 2HA GLY 69 HA1 GLY 69 79.175 7.171 7.062 489 H SER 70 HN SER 70 76.327 5.414 8.230 490 HA SER 70 HA SER 70 77.642 4.915 10.780 491 1HB SER 70 HB2 SER 70 75.539 3.846 11.411 492 2HB SER 70 HB1 SER 70 75.197 5.360 10.579 493 HG SER 70 HG SER 70 74.110 3.212 9.950 494 H GLY 71 HN GLY 71 77.190 3.152 7.812 495 1HA GLY 71 HA2 GLY 71 78.539 1.230 7.245 496 2HA GLY 71 HA1 GLY 71 78.771 0.920 8.966 497 H THR 72 HN THR 72 75.559 1.669 8.508 498 HA THR 72 HA THR 72 74.782 -1.132 7.871 499 HB THR 72 HB THR 72 73.081 -0.895 9.806 500 HG1 THR 72 HG1 THR 72 73.363 1.225 10.327 501 1HG2 THR 72 HG21 THR 72 75.490 -2.115 9.634 502 2HG2 THR 72 HG23 THR 72 75.799 -1.025 10.985 503 3HG2 THR 72 HG22 THR 72 74.474 -2.187 11.074 504 H ILE 73 HN ILE 73 72.223 -1.164 7.766 505 HA ILE 73 HA ILE 73 71.337 1.383 6.468 506 HB ILE 73 HB ILE 73 70.452 -1.396 5.662 507 1HG1 ILE 73 HG12 ILE 73 72.954 -0.889 5.330 508 2HG1 ILE 73 HG11 ILE 73 72.048 -1.365 3.894 509 1HG2 ILE 73 HG22 ILE 73 70.049 1.399 4.621 510 2HG2 ILE 73 HG21 ILE 73 69.938 0.019 3.528 511 3HG2 ILE 73 HG23 ILE 73 68.848 0.139 4.910 512 1HD1 ILE 73 HD13 ILE 73 72.027 1.535 4.443 513 2HD1 ILE 73 HD12 ILE 73 73.616 0.877 4.054 514 3HD1 ILE 73 HD11 ILE 73 72.279 0.679 2.920 515 H ASP 74 HN ASP 74 69.449 2.194 7.248 516 HA ASP 74 HA ASP 74 67.863 0.453 9.092 517 1HB ASP 74 HB2 ASP 74 68.302 3.449 9.027 518 2HB ASP 74 HB1 ASP 74 67.024 2.700 9.984 519 H PHE 75 HN PHE 75 65.475 0.853 9.020 520 HA PHE 75 HA PHE 75 64.335 0.567 6.514 521 1HB PHE 75 HB2 PHE 75 63.204 0.451 8.833 522 2HB PHE 75 HB1 PHE 75 62.936 2.185 8.644 523 HD1 PHE 75 HD2 PHE 75 62.822 -0.710 6.263 524 HD2 PHE 75 HD1 PHE 75 60.727 2.601 8.018 525 HE1 PHE 75 HE2 PHE 75 60.873 -1.168 4.799 526 HE2 PHE 75 HE1 PHE 75 58.777 2.145 6.555 527 HZ PHE 75 HZ PHE 75 58.850 0.258 4.946 528 H GLU 76 HN GLU 76 65.197 3.595 8.130 529 HA GLU 76 HA GLU 76 63.924 5.368 6.285 530 1HB GLU 76 HB2 GLU 76 66.510 5.867 7.788 531 2HB GLU 76 HB1 GLU 76 65.375 7.079 7.192 532 1HG GLU 76 HG2 GLU 76 64.144 6.910 9.066 533 2HG GLU 76 HG1 GLU 76 63.968 5.171 8.832 534 H GLU 77 HN GLU 77 67.244 4.047 6.354 535 HA GLU 77 HA GLU 77 67.977 5.324 3.850 536 1HB GLU 77 HB2 GLU 77 69.243 3.047 5.404 537 2HB GLU 77 HB1 GLU 77 69.965 3.801 3.982 538 1HG GLU 77 HG2 GLU 77 69.970 5.981 5.124 539 2HG GLU 77 HG1 GLU 77 69.223 5.247 6.543 540 H PHE 78 HN PHE 78 66.138 2.558 4.648 541 HA PHE 78 HA PHE 78 66.766 0.864 2.420 542 1HB PHE 78 HB2 PHE 78 65.120 0.680 4.626 543 2HB PHE 78 HB1 PHE 78 63.962 0.829 3.306 544 HD1 PHE 78 HD1 PHE 78 66.875 -1.119 4.541 545 HD2 PHE 78 HD2 PHE 78 63.619 -0.945 1.746 546 HE1 PHE 78 HE1 PHE 78 67.283 -3.485 3.919 547 HE2 PHE 78 HE2 PHE 78 64.026 -3.311 1.123 548 HZ PHE 78 HZ PHE 78 65.858 -4.582 2.211 549 H LEU 79 HN LEU 79 63.973 3.051 2.898 550 HA LEU 79 HA LEU 79 62.833 2.926 0.371 551 1HB LEU 79 HB2 LEU 79 63.253 5.477 1.960 552 2HB LEU 79 HB1 LEU 79 62.012 5.200 0.739 553 HG LEU 79 HG LEU 79 62.288 3.653 3.335 554 1HD1 LEU 79 HD11 LEU 79 61.518 6.031 3.569 555 2HD1 LEU 79 HD13 LEU 79 60.177 5.655 2.487 556 3HD1 LEU 79 HD12 LEU 79 60.302 4.847 4.049 557 1HD2 LEU 79 HD22 LEU 79 61.339 2.392 1.375 558 2HD2 LEU 79 HD21 LEU 79 60.191 2.608 2.697 559 3HD2 LEU 79 HD23 LEU 79 60.079 3.620 1.256 560 H VAL 80 HN VAL 80 65.825 4.504 1.311 561 HA VAL 80 HA VAL 80 66.166 6.026 -1.121 562 HB VAL 80 HB VAL 80 68.205 5.019 0.890 563 1HG1 VAL 80 HG13 VAL 80 68.396 6.901 -1.464 564 2HG1 VAL 80 HG12 VAL 80 69.524 6.995 -0.112 565 3HG1 VAL 80 HG11 VAL 80 69.428 5.523 -1.076 566 1HG2 VAL 80 HG21 VAL 80 66.186 6.952 1.130 567 2HG2 VAL 80 HG23 VAL 80 67.592 6.767 2.180 568 3HG2 VAL 80 HG22 VAL 80 67.654 7.876 0.809 569 H MET 81 HN MET 81 67.573 2.925 -0.009 570 HA MET 81 HA MET 81 69.033 2.336 -2.352 571 1HB MET 81 HB2 MET 81 69.011 1.082 -0.107 572 2HB MET 81 HB1 MET 81 67.597 0.231 -0.733 573 1HG MET 81 HG2 MET 81 68.827 -0.668 -2.569 574 2HG MET 81 HG1 MET 81 70.185 0.417 -2.276 575 1HE MET 81 HE1 MET 81 70.919 0.740 0.053 576 2HE MET 81 HE3 MET 81 70.181 -0.193 1.361 577 3HE MET 81 HE2 MET 81 71.811 -0.574 0.812 578 H MET 82 HN MET 82 65.588 2.043 -1.696 579 HA MET 82 HA MET 82 65.012 0.362 -3.965 580 1HB MET 82 HB2 MET 82 63.346 0.276 -2.344 581 2HB MET 82 HB1 MET 82 63.454 1.999 -1.995 582 1HG MET 82 HG2 MET 82 61.901 2.510 -3.531 583 2HG MET 82 HG1 MET 82 62.628 1.460 -4.743 584 1HE MET 82 HE3 MET 82 62.995 -0.883 -4.038 585 2HE MET 82 HE2 MET 82 62.141 -1.690 -2.725 586 3HE MET 82 HE1 MET 82 61.550 -1.843 -4.377 587 H VAL 83 HN VAL 83 64.691 3.880 -3.357 588 HA VAL 83 HA VAL 83 63.869 4.463 -6.066 589 HB VAL 83 HB VAL 83 65.189 6.357 -4.104 590 1HG1 VAL 83 HG12 VAL 83 64.024 6.603 -6.744 591 2HG1 VAL 83 HG11 VAL 83 63.129 7.581 -5.582 592 3HG1 VAL 83 HG13 VAL 83 64.864 7.822 -5.785 593 1HG2 VAL 83 HG22 VAL 83 62.579 5.007 -4.047 594 2HG2 VAL 83 HG21 VAL 83 63.420 5.877 -2.764 595 3HG2 VAL 83 HG23 VAL 83 62.461 6.763 -3.949 596 H ARG 84 HN ARG 84 66.871 3.656 -4.672 597 HA ARG 84 HA ARG 84 68.676 5.197 -6.247 598 1HB ARG 84 HB2 ARG 84 68.872 3.122 -4.365 599 2HB ARG 84 HB1 ARG 84 69.622 2.483 -5.827 600 1HG ARG 84 HG2 ARG 84 71.435 3.591 -4.910 601 2HG ARG 84 HG1 ARG 84 70.748 4.891 -5.885 602 1HD ARG 84 HD2 ARG 84 69.906 4.464 -3.018 603 2HD ARG 84 HD1 ARG 84 71.319 5.436 -3.427 604 HE ARG 84 HE ARG 84 68.514 6.162 -3.945 605 1HH1 ARG 84 HH11 ARG 84 71.398 7.472 -3.157 606 2HH1 ARG 84 HH12 ARG 84 71.401 8.731 -4.347 607 1HH2 ARG 84 HH21 ARG 84 68.705 7.441 -6.105 608 2HH2 ARG 84 HH22 ARG 84 69.876 8.714 -6.017 609 H GLN 85 HN GLN 85 67.029 2.116 -6.911 610 HA GLN 85 HA GLN 85 68.239 2.064 -9.621 611 1HB GLN 85 HB2 GLN 85 66.747 0.086 -7.922 612 2HB GLN 85 HB1 GLN 85 66.780 -0.132 -9.673 613 1HG GLN 85 HG2 GLN 85 69.195 0.117 -7.855 614 2HG GLN 85 HG1 GLN 85 68.642 -1.353 -8.659 615 1HE2 GLN 85 HE22 GLN 85 69.368 0.583 -11.903 616 2HE2 GLN 85 HE21 GLN 85 67.889 0.274 -11.129 617 H MET 86 HN MET 86 64.986 1.918 -8.127 618 HA MET 86 HA MET 86 63.389 2.019 -10.394 619 1HB MET 86 HB2 MET 86 63.134 3.093 -7.633 620 2HB MET 86 HB1 MET 86 62.024 3.754 -8.834 621 1HG MET 86 HG2 MET 86 62.027 1.007 -9.343 622 2HG MET 86 HG1 MET 86 62.032 1.121 -7.583 623 1HE MET 86 HE2 MET 86 60.698 1.791 -6.234 624 2HE MET 86 HE1 MET 86 59.589 3.147 -6.422 625 3HE MET 86 HE3 MET 86 58.978 1.488 -6.467 626 H LYS 87 HN LYS 87 65.165 4.709 -8.905 627 HA LYS 87 HA LYS 87 64.145 6.883 -10.322 628 1HB LYS 87 HB2 LYS 87 66.752 6.204 -9.112 629 2HB LYS 87 HB1 LYS 87 66.827 7.434 -10.374 630 1HG LYS 87 HG2 LYS 87 64.749 7.587 -8.196 631 2HG LYS 87 HG1 LYS 87 66.376 8.219 -7.941 632 1HD LYS 87 HD2 LYS 87 65.110 9.018 -10.492 633 2HD LYS 87 HD1 LYS 87 64.346 9.669 -9.042 634 1HE LYS 87 HE2 LYS 87 65.965 11.276 -9.290 635 2HE LYS 87 HE1 LYS 87 66.930 10.098 -8.400 636 1HZ LYS 87 HZ3 LYS 87 67.207 9.218 -10.904 637 2HZ LYS 87 HZ2 LYS 87 67.072 10.889 -11.184 638 3HZ LYS 87 HZ1 LYS 87 68.288 10.290 -10.157 639 H GLU 88 HN GLU 88 66.998 4.986 -11.395 640 HA GLU 88 HA GLU 88 66.007 5.162 -14.177 641 1HB GLU 88 HB2 GLU 88 68.452 6.544 -13.125 642 2HB GLU 88 HB1 GLU 88 68.493 5.872 -14.755 643 1HG GLU 88 HG2 GLU 88 66.181 7.099 -15.014 644 2HG GLU 88 HG1 GLU 88 66.762 8.067 -13.658 645 H ASP 89 HN ASP 89 66.322 3.193 -15.093 646 HA ASP 89 HA ASP 89 68.356 1.393 -13.861 647 1HB ASP 89 HB2 ASP 89 65.729 0.963 -15.218 648 2HB ASP 89 HB1 ASP 89 66.960 -0.286 -15.405 649 H ALA 90 HN ALA 90 69.626 3.138 -15.416 650 HA ALA 90 HA ALA 90 71.001 3.340 -17.306 651 1HB ALA 90 HB1 ALA 90 70.532 0.393 -17.038 652 2HB ALA 90 HB3 ALA 90 71.326 0.990 -18.495 653 3HB ALA 90 HB2 ALA 90 72.038 1.301 -16.911 No H/Q in entry = 653 Start of MODEL 8 1 1H ALA 1 HT1 ALA 1 70.097 12.468 14.185 2 2H ALA 1 HT3 ALA 1 71.140 13.602 14.893 3 3H ALA 1 HT2 ALA 1 70.295 12.501 15.873 4 HA ALA 1 HA ALA 1 68.213 13.517 15.368 5 1HB ALA 1 HB2 ALA 1 70.229 14.691 16.848 6 2HB ALA 1 HB1 ALA 1 69.729 16.001 15.779 7 3HB ALA 1 HB3 ALA 1 68.546 15.220 16.828 8 H SER 2 HN SER 2 68.403 13.110 12.861 9 HA SER 2 HA SER 2 67.571 15.457 11.512 10 1HB SER 2 HB2 SER 2 69.587 15.732 9.989 11 2HB SER 2 HB1 SER 2 69.818 16.294 11.643 12 HG SER 2 HG SER 2 71.150 14.670 12.019 13 H MET 3 HN MET 3 67.611 15.050 9.022 14 HA MET 3 HA MET 3 67.706 12.151 8.383 15 1HB MET 3 HB2 MET 3 65.416 12.907 7.065 16 2HB MET 3 HB1 MET 3 65.446 12.036 8.596 17 1HG MET 3 HG2 MET 3 63.980 13.977 8.802 18 2HG MET 3 HG1 MET 3 65.413 14.225 9.799 19 1HE MET 3 HE1 MET 3 63.887 14.367 6.559 20 2HE MET 3 HE3 MET 3 63.512 16.094 6.487 21 3HE MET 3 HE2 MET 3 64.859 15.443 5.556 22 H THR 4 HN THR 4 69.351 12.397 6.880 23 HA THR 4 HA THR 4 69.839 14.509 5.133 24 HB THR 4 HB THR 4 70.946 12.873 3.659 25 HG1 THR 4 HG1 THR 4 70.721 10.614 4.566 26 1HG2 THR 4 HG21 THR 4 71.582 13.435 6.258 27 2HG2 THR 4 HG23 THR 4 71.544 11.672 6.285 28 3HG2 THR 4 HG22 THR 4 72.611 12.513 5.161 29 H ASP 5 HN ASP 5 69.264 14.854 2.873 30 HA ASP 5 HA ASP 5 66.448 14.526 2.364 31 1HB ASP 5 HB2 ASP 5 68.693 15.310 0.479 32 2HB ASP 5 HB1 ASP 5 66.970 15.503 0.149 33 H GLN 6 HN GLN 6 69.038 12.385 2.027 34 HA GLN 6 HA GLN 6 68.388 11.013 -0.385 35 1HB GLN 6 HB2 GLN 6 69.576 9.946 2.195 36 2HB GLN 6 HB1 GLN 6 69.560 9.077 0.659 37 1HG GLN 6 HG2 GLN 6 70.701 11.858 0.802 38 2HG GLN 6 HG1 GLN 6 71.680 10.474 1.296 39 1HE2 GLN 6 HE22 GLN 6 71.371 9.019 -2.110 40 2HE2 GLN 6 HE21 GLN 6 71.016 8.511 -0.529 41 H GLN 7 HN GLN 7 67.354 10.349 2.977 42 HA GLN 7 HA GLN 7 65.476 8.293 2.099 43 1HB GLN 7 HB2 GLN 7 64.792 8.232 4.460 44 2HB GLN 7 HB1 GLN 7 66.551 8.212 4.333 45 1HG GLN 7 HG2 GLN 7 66.128 10.885 4.428 46 2HG GLN 7 HG1 GLN 7 64.757 10.328 5.387 47 1HE2 GLN 7 HE22 GLN 7 68.534 9.417 6.762 48 2HE2 GLN 7 HE21 GLN 7 68.277 9.541 5.089 49 H ALA 8 HN ALA 8 65.401 11.730 2.541 50 HA ALA 8 HA ALA 8 62.545 11.990 2.920 51 1HB ALA 8 HB3 ALA 8 64.741 13.716 2.952 52 2HB ALA 8 HB2 ALA 8 63.794 14.248 1.562 53 3HB ALA 8 HB1 ALA 8 63.051 14.178 3.160 54 H GLU 9 HN GLU 9 64.404 13.093 0.072 55 HA GLU 9 HA GLU 9 62.295 13.226 -1.736 56 1HB GLU 9 HB2 GLU 9 65.179 12.424 -2.168 57 2HB GLU 9 HB1 GLU 9 64.049 12.647 -3.504 58 1HG GLU 9 HG2 GLU 9 63.568 14.939 -2.205 59 2HG GLU 9 HG1 GLU 9 65.225 14.673 -1.656 60 H ALA 10 HN ALA 10 64.290 10.352 -1.007 61 HA ALA 10 HA ALA 10 63.107 8.554 -2.822 62 1HB ALA 10 HB2 ALA 10 64.984 8.343 -0.835 63 2HB ALA 10 HB1 ALA 10 63.644 7.427 -0.147 64 3HB ALA 10 HB3 ALA 10 64.311 6.970 -1.714 65 H ARG 11 HN ARG 11 62.061 9.386 0.488 66 HA ARG 11 HA ARG 11 59.782 7.619 0.460 67 1HB ARG 11 HB2 ARG 11 61.019 9.404 2.301 68 2HB ARG 11 HB1 ARG 11 59.325 9.883 2.164 69 1HG ARG 11 HG2 ARG 11 58.632 7.549 2.589 70 2HG ARG 11 HG1 ARG 11 60.326 7.077 2.742 71 1HD ARG 11 HD2 ARG 11 59.308 7.455 4.961 72 2HD ARG 11 HD1 ARG 11 60.593 8.621 4.643 73 HE ARG 11 HE ARG 11 58.367 9.964 3.780 74 1HH1 ARG 11 HH11 ARG 11 59.953 9.832 6.594 75 2HH1 ARG 11 HH12 ARG 11 58.594 10.053 7.644 76 1HH2 ARG 11 HH21 ARG 11 56.245 9.548 5.143 77 2HH2 ARG 11 HH22 ARG 11 56.494 9.892 6.822 78 H ALA 12 HN ALA 12 60.367 10.808 -0.806 79 HA ALA 12 HA ALA 12 57.615 11.656 -0.961 80 1HB ALA 12 HB1 ALA 12 59.899 12.980 -1.295 81 2HB ALA 12 HB3 ALA 12 59.623 12.562 -2.986 82 3HB ALA 12 HB2 ALA 12 58.421 13.503 -2.102 83 H PHE 13 HN PHE 13 59.744 9.828 -3.121 84 HA PHE 13 HA PHE 13 57.749 9.759 -5.263 85 1HB PHE 13 HB2 PHE 13 60.110 9.673 -5.859 86 2HB PHE 13 HB1 PHE 13 60.340 8.236 -4.860 87 HD1 PHE 13 HD1 PHE 13 58.202 9.480 -7.683 88 HD2 PHE 13 HD2 PHE 13 60.174 6.131 -5.853 89 HE1 PHE 13 HE1 PHE 13 57.530 8.042 -9.588 90 HE2 PHE 13 HE2 PHE 13 59.501 4.692 -7.757 91 HZ PHE 13 HZ PHE 13 58.179 5.649 -9.626 92 H LEU 14 HN LEU 14 58.722 7.728 -2.566 93 HA LEU 14 HA LEU 14 57.050 5.488 -3.507 94 1HB LEU 14 HB2 LEU 14 58.495 5.819 -0.862 95 2HB LEU 14 HB1 LEU 14 57.852 4.319 -1.533 96 HG LEU 14 HG LEU 14 59.986 5.991 -2.888 97 1HD1 LEU 14 HD12 LEU 14 60.139 4.062 -0.694 98 2HD1 LEU 14 HD11 LEU 14 61.114 3.580 -2.082 99 3HD1 LEU 14 HD13 LEU 14 61.380 5.148 -1.318 100 1HD2 LEU 14 HD23 LEU 14 58.593 4.528 -4.348 101 2HD2 LEU 14 HD22 LEU 14 60.271 3.987 -4.275 102 3HD2 LEU 14 HD21 LEU 14 59.031 3.145 -3.344 103 H SER 15 HN SER 15 54.915 5.366 -3.025 104 HA SER 15 HA SER 15 53.713 7.304 -1.191 105 1HB SER 15 HB2 SER 15 52.462 4.966 -2.664 106 2HB SER 15 HB1 SER 15 51.586 6.256 -1.848 107 HG SER 15 HG SER 15 51.707 7.022 -3.849 108 H GLU 16 HN GLU 16 52.331 6.603 0.640 109 HA GLU 16 HA GLU 16 53.685 4.848 2.424 110 1HB GLU 16 HB2 GLU 16 50.912 6.029 2.381 111 2HB GLU 16 HB1 GLU 16 51.387 4.897 3.646 112 1HG GLU 16 HG2 GLU 16 51.962 6.954 4.599 113 2HG GLU 16 HG1 GLU 16 53.489 6.448 3.874 114 H GLU 17 HN GLU 17 51.427 4.202 -0.117 115 HA GLU 17 HA GLU 17 50.414 1.690 0.871 116 1HB GLU 17 HB2 GLU 17 50.035 3.314 -1.417 117 2HB GLU 17 HB1 GLU 17 50.562 1.739 -2.007 118 1HG GLU 17 HG2 GLU 17 48.126 1.754 -1.787 119 2HG GLU 17 HG1 GLU 17 48.821 0.659 -0.591 120 H MET 18 HN MET 18 53.106 2.515 -1.327 121 HA MET 18 HA MET 18 53.897 -0.279 -1.608 122 1HB MET 18 HB2 MET 18 55.134 2.354 -2.416 123 2HB MET 18 HB1 MET 18 55.999 0.832 -2.620 124 1HG MET 18 HG2 MET 18 53.304 0.527 -3.583 125 2HG MET 18 HG1 MET 18 54.036 1.943 -4.338 126 1HE MET 18 HE2 MET 18 56.512 1.931 -5.138 127 2HE MET 18 HE1 MET 18 56.826 0.801 -6.452 128 3HE MET 18 HE3 MET 18 55.345 1.767 -6.449 129 H ILE 19 HN ILE 19 54.803 2.425 0.460 130 HA ILE 19 HA ILE 19 57.215 1.229 1.493 131 HB ILE 19 HB ILE 19 55.366 3.382 2.542 132 1HG1 ILE 19 HG12 ILE 19 58.183 3.970 1.962 133 2HG1 ILE 19 HG11 ILE 19 57.296 3.384 0.554 134 1HG2 ILE 19 HG23 ILE 19 57.834 2.148 3.763 135 2HG2 ILE 19 HG22 ILE 19 57.389 3.821 4.102 136 3HG2 ILE 19 HG21 ILE 19 56.290 2.511 4.535 137 1HD1 ILE 19 HD11 ILE 19 55.458 5.088 1.396 138 2HD1 ILE 19 HD13 ILE 19 56.835 5.852 2.189 139 3HD1 ILE 19 HD12 ILE 19 56.825 5.654 0.438 140 H ALA 20 HN ALA 20 53.807 0.950 2.308 141 HA ALA 20 HA ALA 20 54.076 -0.211 4.895 142 1HB ALA 20 HB1 ALA 20 51.988 -0.305 2.744 143 2HB ALA 20 HB3 ALA 20 51.858 -1.420 4.105 144 3HB ALA 20 HB2 ALA 20 51.870 0.321 4.389 145 H GLU 21 HN GLU 21 54.210 -1.647 1.651 146 HA GLU 21 HA GLU 21 54.447 -4.367 2.685 147 1HB GLU 21 HB2 GLU 21 54.435 -3.052 0.026 148 2HB GLU 21 HB1 GLU 21 55.367 -4.546 0.135 149 1HG GLU 21 HG2 GLU 21 53.486 -5.780 0.169 150 2HG GLU 21 HG1 GLU 21 52.851 -4.847 1.525 151 H PHE 22 HN PHE 22 56.658 -1.825 1.621 152 HA PHE 22 HA PHE 22 59.028 -3.432 1.511 153 1HB PHE 22 HB2 PHE 22 58.642 -0.481 2.096 154 2HB PHE 22 HB1 PHE 22 60.215 -1.234 1.843 155 HD1 PHE 22 HD1 PHE 22 57.865 -2.995 -0.100 156 HD2 PHE 22 HD2 PHE 22 60.061 0.698 -0.018 157 HE1 PHE 22 HE1 PHE 22 57.578 -2.768 -2.552 158 HE2 PHE 22 HE2 PHE 22 59.774 0.921 -2.469 159 HZ PHE 22 HZ PHE 22 58.532 -0.811 -3.737 160 H LYS 23 HN LYS 23 57.314 -1.887 4.168 161 HA LYS 23 HA LYS 23 59.392 -2.083 6.130 162 1HB LYS 23 HB2 LYS 23 56.943 -0.963 6.140 163 2HB LYS 23 HB1 LYS 23 56.569 -2.461 6.992 164 1HG LYS 23 HG2 LYS 23 59.063 -1.238 7.912 165 2HG LYS 23 HG1 LYS 23 57.665 -0.185 8.140 166 1HD LYS 23 HD2 LYS 23 56.525 -1.804 9.456 167 2HD LYS 23 HD1 LYS 23 57.622 -3.093 8.958 168 1HE LYS 23 HE2 LYS 23 59.282 -1.122 10.070 169 2HE LYS 23 HE1 LYS 23 57.891 -1.213 11.151 170 1HZ LYS 23 HZ1 LYS 23 58.184 -3.607 11.271 171 2HZ LYS 23 HZ3 LYS 23 59.526 -3.516 10.237 172 3HZ LYS 23 HZ2 LYS 23 59.592 -2.803 11.778 173 H ALA 24 HN ALA 24 57.368 -4.469 4.664 174 HA ALA 24 HA ALA 24 57.568 -6.404 6.837 175 1HB ALA 24 HB1 ALA 24 56.613 -6.486 3.986 176 2HB ALA 24 HB3 ALA 24 56.865 -7.989 4.872 177 3HB ALA 24 HB2 ALA 24 55.709 -6.798 5.468 178 H ALA 25 HN ALA 25 59.430 -5.580 3.978 179 HA ALA 25 HA ALA 25 61.050 -8.006 4.056 180 1HB ALA 25 HB2 ALA 25 60.688 -5.802 2.279 181 2HB ALA 25 HB1 ALA 25 62.399 -5.876 2.702 182 3HB ALA 25 HB3 ALA 25 61.602 -7.284 1.998 183 H PHE 26 HN PHE 26 61.299 -4.716 5.316 184 HA PHE 26 HA PHE 26 64.033 -4.733 6.068 185 1HB PHE 26 HB2 PHE 26 62.278 -2.820 6.202 186 2HB PHE 26 HB1 PHE 26 61.896 -3.484 7.790 187 HD1 PHE 26 HD1 PHE 26 64.886 -2.525 5.728 188 HD2 PHE 26 HD2 PHE 26 63.096 -2.706 9.630 189 HE1 PHE 26 HE1 PHE 26 66.859 -1.367 6.687 190 HE2 PHE 26 HE2 PHE 26 65.069 -1.549 10.588 191 HZ PHE 26 HZ PHE 26 66.950 -0.879 9.117 192 H ASP 27 HN ASP 27 61.222 -5.473 8.175 193 HA ASP 27 HA ASP 27 62.719 -6.457 10.363 194 1HB ASP 27 HB2 ASP 27 60.626 -7.744 10.928 195 2HB ASP 27 HB1 ASP 27 60.348 -6.033 10.603 196 H MET 28 HN MET 28 62.205 -7.838 7.253 197 HA MET 28 HA MET 28 62.608 -10.610 8.042 198 1HB MET 28 HB2 MET 28 61.863 -9.237 5.686 199 2HB MET 28 HB1 MET 28 63.361 -10.085 5.302 200 1HG MET 28 HG2 MET 28 62.025 -12.002 6.722 201 2HG MET 28 HG1 MET 28 60.688 -11.176 5.920 202 1HE MET 28 HE1 MET 28 64.208 -11.744 5.491 203 2HE MET 28 HE3 MET 28 64.272 -13.300 4.653 204 3HE MET 28 HE2 MET 28 64.445 -11.799 3.747 205 H PHE 29 HN PHE 29 64.678 -8.074 6.618 206 HA PHE 29 HA PHE 29 67.038 -9.800 6.703 207 1HB PHE 29 HB2 PHE 29 67.167 -6.810 6.428 208 2HB PHE 29 HB1 PHE 29 68.169 -8.041 5.657 209 HD1 PHE 29 HD1 PHE 29 66.448 -9.891 4.404 210 HD2 PHE 29 HD2 PHE 29 65.874 -5.662 4.872 211 HE1 PHE 29 HE1 PHE 29 64.951 -9.876 2.427 212 HE2 PHE 29 HE2 PHE 29 64.378 -5.644 2.893 213 HZ PHE 29 HZ PHE 29 63.917 -7.753 1.669 214 H ASP 30 HN ASP 30 65.322 -8.292 9.081 215 HA ASP 30 HA ASP 30 67.631 -7.309 10.629 216 1HB ASP 30 HB2 ASP 30 64.666 -7.489 11.225 217 2HB ASP 30 HB1 ASP 30 65.850 -6.894 12.388 218 H ALA 31 HN ALA 31 68.777 -9.349 10.821 219 HA ALA 31 HA ALA 31 67.584 -11.701 11.962 220 1HB ALA 31 HB1 ALA 31 70.011 -11.109 10.812 221 2HB ALA 31 HB3 ALA 31 70.449 -11.294 12.510 222 3HB ALA 31 HB2 ALA 31 69.644 -12.612 11.658 223 H ASP 32 HN ASP 32 69.479 -9.035 13.394 224 HA ASP 32 HA ASP 32 69.115 -10.136 16.092 225 1HB ASP 32 HB2 ASP 32 70.618 -7.901 14.851 226 2HB ASP 32 HB1 ASP 32 70.069 -7.625 16.504 227 H GLY 33 HN GLY 33 66.962 -8.818 14.113 228 1HA GLY 33 HA2 GLY 33 65.072 -7.427 14.364 229 2HA GLY 33 HA1 GLY 33 64.983 -8.207 15.943 230 H GLY 34 HN GLY 34 67.635 -6.120 14.915 231 1HA GLY 34 HA2 GLY 34 67.152 -4.410 17.261 232 2HA GLY 34 HA1 GLY 34 68.534 -4.304 16.171 233 H GLY 35 HN GLY 35 66.583 -4.347 13.833 234 1HA GLY 35 HA2 GLY 35 64.890 -2.776 12.977 235 2HA GLY 35 HA1 GLY 35 65.486 -1.585 14.134 236 H ASP 36 HN ASP 36 67.869 -3.479 12.516 237 HA ASP 36 HA ASP 36 68.217 -1.628 10.276 238 1HB ASP 36 HB2 ASP 36 69.967 -1.517 12.724 239 2HB ASP 36 HB1 ASP 36 70.632 -1.122 11.140 240 H ILE 37 HN ILE 37 68.995 -2.874 8.645 241 HA ILE 37 HA ILE 37 70.479 -5.347 9.398 242 HB ILE 37 HB ILE 37 68.861 -6.252 8.105 243 1HG1 ILE 37 HG12 ILE 37 71.050 -6.176 6.659 244 2HG1 ILE 37 HG11 ILE 37 69.544 -6.709 5.923 245 1HG2 ILE 37 HG23 ILE 37 68.534 -3.508 6.881 246 2HG2 ILE 37 HG22 ILE 37 67.614 -4.910 6.335 247 3HG2 ILE 37 HG21 ILE 37 67.444 -4.338 7.993 248 1HD1 ILE 37 HD12 ILE 37 69.171 -4.406 5.065 249 2HD1 ILE 37 HD11 ILE 37 70.723 -3.918 5.745 250 3HD1 ILE 37 HD13 ILE 37 70.664 -5.111 4.449 251 H SER 38 HN SER 38 72.346 -5.920 8.130 252 HA SER 38 HA SER 38 74.019 -3.609 7.525 253 1HB SER 38 HB2 SER 38 75.794 -5.170 7.285 254 2HB SER 38 HB1 SER 38 74.771 -5.847 8.549 255 HG SER 38 HG SER 38 73.711 -6.853 6.519 256 H THR 39 HN THR 39 75.043 -3.228 5.432 257 HA THR 39 HA THR 39 73.193 -3.432 3.233 258 HB THR 39 HB THR 39 74.799 -2.256 1.959 259 HG1 THR 39 HG1 THR 39 76.698 -3.297 3.789 260 1HG2 THR 39 HG23 THR 39 74.456 -1.565 4.753 261 2HG2 THR 39 HG22 THR 39 76.009 -0.986 4.150 262 3HG2 THR 39 HG21 THR 39 74.515 -0.507 3.345 263 H LYS 40 HN LYS 40 75.537 -5.581 4.512 264 HA LYS 40 HA LYS 40 76.315 -6.965 2.133 265 1HB LYS 40 HB2 LYS 40 76.043 -7.867 5.012 266 2HB LYS 40 HB1 LYS 40 76.676 -8.911 3.739 267 1HG LYS 40 HG2 LYS 40 77.916 -6.270 3.700 268 2HG LYS 40 HG1 LYS 40 78.154 -7.090 5.243 269 1HD LYS 40 HD2 LYS 40 79.676 -8.466 4.322 270 2HD LYS 40 HD1 LYS 40 78.513 -8.975 3.095 271 1HE LYS 40 HE2 LYS 40 79.096 -7.091 1.681 272 2HE LYS 40 HE1 LYS 40 80.134 -6.417 2.938 273 1HZ LYS 40 HZ3 LYS 40 81.529 -8.387 2.786 274 2HZ LYS 40 HZ2 LYS 40 80.533 -9.023 1.567 275 3HZ LYS 40 HZ1 LYS 40 81.425 -7.604 1.286 276 H ALA 41 HN ALA 41 73.418 -7.061 4.104 277 HA ALA 41 HA ALA 41 72.395 -9.443 2.691 278 1HB ALA 41 HB2 ALA 41 71.897 -8.244 5.204 279 2HB ALA 41 HB1 ALA 41 70.408 -8.069 4.277 280 3HB ALA 41 HB3 ALA 41 71.107 -9.668 4.527 281 H LEU 42 HN LEU 42 72.317 -6.011 2.399 282 HA LEU 42 HA LEU 42 69.849 -5.433 1.260 283 1HB LEU 42 HB2 LEU 42 72.573 -4.369 0.987 284 2HB LEU 42 HB1 LEU 42 71.576 -4.104 -0.442 285 HG LEU 42 HG LEU 42 71.292 -2.227 1.087 286 1HD1 LEU 42 HD11 LEU 42 69.227 -3.814 0.063 287 2HD1 LEU 42 HD13 LEU 42 68.739 -3.472 1.723 288 3HD1 LEU 42 HD12 LEU 42 69.088 -2.145 0.614 289 1HD2 LEU 42 HD21 LEU 42 71.526 -4.249 3.055 290 2HD2 LEU 42 HD23 LEU 42 71.326 -2.518 3.320 291 3HD2 LEU 42 HD22 LEU 42 69.910 -3.567 3.237 292 H GLY 43 HN GLY 43 72.576 -7.133 -0.229 293 1HA GLY 43 HA2 GLY 43 71.686 -7.238 -2.896 294 2HA GLY 43 HA1 GLY 43 72.624 -8.519 -2.126 295 H THR 44 HN THR 44 70.902 -9.486 -0.223 296 HA THR 44 HA THR 44 69.087 -11.081 -1.792 297 HB THR 44 HB THR 44 69.382 -10.672 1.195 298 HG1 THR 44 HG1 THR 44 69.913 -12.955 -0.377 299 1HG2 THR 44 HG22 THR 44 67.290 -12.024 -0.371 300 2HG2 THR 44 HG21 THR 44 68.043 -13.049 0.851 301 3HG2 THR 44 HG23 THR 44 67.286 -11.528 1.322 302 H VAL 45 HN VAL 45 68.707 -8.205 0.224 303 HA VAL 45 HA VAL 45 65.876 -8.122 0.351 304 HB VAL 45 HB VAL 45 67.825 -5.804 0.125 305 1HG1 VAL 45 HG13 VAL 45 64.915 -6.031 0.862 306 2HG1 VAL 45 HG12 VAL 45 65.910 -4.749 1.554 307 3HG1 VAL 45 HG11 VAL 45 65.703 -4.859 -0.194 308 1HG2 VAL 45 HG23 VAL 45 66.972 -7.618 2.348 309 2HG2 VAL 45 HG22 VAL 45 68.545 -6.883 2.043 310 3HG2 VAL 45 HG21 VAL 45 67.239 -5.917 2.726 311 H MET 46 HN MET 46 68.112 -7.153 -2.211 312 HA MET 46 HA MET 46 66.165 -5.810 -3.849 313 1HB MET 46 HB2 MET 46 68.911 -6.913 -4.229 314 2HB MET 46 HB1 MET 46 67.946 -6.639 -5.679 315 1HG MET 46 HG2 MET 46 67.682 -4.396 -3.875 316 2HG MET 46 HG1 MET 46 69.385 -4.710 -4.209 317 1HE MET 46 HE3 MET 46 69.491 -2.334 -5.265 318 2HE MET 46 HE2 MET 46 68.464 -1.766 -6.577 319 3HE MET 46 HE1 MET 46 67.759 -2.092 -4.996 320 H ARG 47 HN ARG 47 67.684 -9.011 -4.396 321 HA ARG 47 HA ARG 47 65.817 -9.879 -6.342 322 1HB ARG 47 HB2 ARG 47 67.987 -11.026 -4.837 323 2HB ARG 47 HB1 ARG 47 66.634 -12.157 -4.864 324 1HG ARG 47 HG2 ARG 47 66.583 -11.387 -7.441 325 2HG ARG 47 HG1 ARG 47 68.299 -11.142 -7.114 326 1HD ARG 47 HD2 ARG 47 66.911 -13.699 -6.320 327 2HD ARG 47 HD1 ARG 47 67.564 -13.481 -7.943 328 HE ARG 47 HE ARG 47 69.572 -12.793 -6.022 329 1HH1 ARG 47 HH11 ARG 47 69.161 -14.888 -8.443 330 2HH1 ARG 47 HH12 ARG 47 69.829 -16.284 -7.666 331 1HH2 ARG 47 HH21 ARG 47 69.857 -14.843 -4.511 332 2HH2 ARG 47 HH22 ARG 47 70.220 -16.260 -5.439 333 H MET 48 HN MET 48 65.440 -9.466 -2.960 334 HA MET 48 HA MET 48 63.388 -11.459 -2.530 335 1HB MET 48 HB2 MET 48 64.395 -9.057 -1.043 336 2HB MET 48 HB1 MET 48 62.844 -9.755 -0.574 337 1HG MET 48 HG2 MET 48 65.271 -11.504 -0.934 338 2HG MET 48 HG1 MET 48 64.987 -10.656 0.587 339 1HE MET 48 HE2 MET 48 63.039 -10.859 2.056 340 2HE MET 48 HE1 MET 48 61.843 -10.558 0.797 341 3HE MET 48 HE3 MET 48 61.667 -11.950 1.875 342 H LEU 49 HN LEU 49 63.379 -8.038 -3.466 343 HA LEU 49 HA LEU 49 60.435 -7.972 -3.523 344 1HB LEU 49 HB2 LEU 49 62.028 -5.807 -4.804 345 2HB LEU 49 HB1 LEU 49 60.633 -5.691 -3.733 346 HG LEU 49 HG LEU 49 63.512 -6.223 -2.975 347 1HD1 LEU 49 HD11 LEU 49 61.670 -3.957 -2.888 348 2HD1 LEU 49 HD13 LEU 49 62.357 -4.316 -1.303 349 3HD1 LEU 49 HD12 LEU 49 63.421 -3.986 -2.672 350 1HD2 LEU 49 HD21 LEU 49 61.020 -7.072 -1.671 351 2HD2 LEU 49 HD23 LEU 49 62.677 -7.590 -1.367 352 3HD2 LEU 49 HD22 LEU 49 62.063 -6.114 -0.621 353 H GLY 50 HN GLY 50 63.082 -7.621 -5.910 354 1HA GLY 50 HA2 GLY 50 62.077 -9.300 -7.884 355 2HA GLY 50 HA1 GLY 50 61.264 -7.760 -8.167 356 H GLN 51 HN GLN 51 63.608 -6.230 -7.146 357 HA GLN 51 HA GLN 51 64.945 -5.777 -9.616 358 1HB GLN 51 HB2 GLN 51 65.967 -5.180 -6.822 359 2HB GLN 51 HB1 GLN 51 66.509 -4.416 -8.317 360 1HG GLN 51 HG2 GLN 51 63.763 -4.083 -8.420 361 2HG GLN 51 HG1 GLN 51 64.121 -3.869 -6.705 362 1HE2 GLN 51 HE22 GLN 51 65.546 -0.689 -7.185 363 2HE2 GLN 51 HE21 GLN 51 64.938 -1.846 -6.101 364 H ASN 52 HN ASN 52 66.969 -6.481 -10.388 365 HA ASN 52 HA ASN 52 68.533 -8.395 -8.775 366 1HB ASN 52 HB2 ASN 52 66.588 -9.472 -10.320 367 2HB ASN 52 HB1 ASN 52 67.889 -9.371 -11.507 368 1HD2 ASN 52 HD22 ASN 52 68.376 -12.627 -9.839 369 2HD2 ASN 52 HD21 ASN 52 67.265 -11.928 -10.917 370 HA PRO 53 HA PRO 53 70.862 -5.699 -11.779 371 1HB PRO 53 HB2 PRO 53 72.139 -4.171 -9.886 372 2HB PRO 53 HB1 PRO 53 70.578 -3.737 -10.605 373 1HG PRO 53 HG2 PRO 53 71.155 -4.812 -7.884 374 2HG PRO 53 HG1 PRO 53 69.804 -3.805 -8.429 375 1HD PRO 53 HD2 PRO 53 69.713 -6.597 -7.966 376 2HD PRO 53 HD1 PRO 53 68.482 -5.638 -8.815 377 H THR 54 HN THR 54 73.454 -5.129 -11.246 378 HA THR 54 HA THR 54 74.614 -7.800 -10.703 379 HB THR 54 HB THR 54 76.750 -6.369 -11.438 380 HG1 THR 54 HG1 THR 54 75.986 -4.811 -12.985 381 1HG2 THR 54 HG22 THR 54 75.556 -8.314 -12.600 382 2HG2 THR 54 HG21 THR 54 74.658 -7.088 -13.495 383 3HG2 THR 54 HG23 THR 54 76.412 -7.182 -13.648 384 H LYS 55 HN LYS 55 76.157 -8.153 -9.072 385 HA LYS 55 HA LYS 55 75.900 -6.756 -6.636 386 1HB LYS 55 HB2 LYS 55 77.180 -9.034 -7.404 387 2HB LYS 55 HB1 LYS 55 78.557 -7.959 -7.156 388 1HG LYS 55 HG2 LYS 55 78.085 -7.652 -4.892 389 2HG LYS 55 HG1 LYS 55 76.381 -8.067 -5.089 390 1HD LYS 55 HD2 LYS 55 77.852 -10.341 -5.913 391 2HD LYS 55 HD1 LYS 55 78.588 -9.793 -4.407 392 1HE LYS 55 HE2 LYS 55 76.540 -9.959 -3.218 393 2HE LYS 55 HE1 LYS 55 75.596 -10.065 -4.702 394 1HZ LYS 55 HZ3 LYS 55 77.412 -12.134 -4.815 395 2HZ LYS 55 HZ2 LYS 55 76.834 -12.140 -3.218 396 3HZ LYS 55 HZ1 LYS 55 75.746 -12.254 -4.518 397 H GLU 56 HN GLU 56 77.807 -5.996 -9.445 398 HA GLU 56 HA GLU 56 79.772 -4.315 -8.225 399 1HB GLU 56 HB2 GLU 56 78.603 -4.580 -10.969 400 2HB GLU 56 HB1 GLU 56 79.570 -3.151 -10.604 401 1HG GLU 56 HG2 GLU 56 81.211 -4.984 -9.565 402 2HG GLU 56 HG1 GLU 56 80.400 -6.017 -10.743 403 H GLU 57 HN GLU 57 76.975 -3.148 -10.133 404 HA GLU 57 HA GLU 57 77.017 -0.504 -9.201 405 1HB GLU 57 HB2 GLU 57 74.855 -2.293 -10.255 406 2HB GLU 57 HB1 GLU 57 74.406 -0.724 -9.587 407 1HG GLU 57 HG2 GLU 57 74.951 0.173 -11.581 408 2HG GLU 57 HG1 GLU 57 76.634 -0.191 -11.195 409 H LEU 58 HN LEU 58 75.865 -3.386 -7.581 410 HA LEU 58 HA LEU 58 74.282 -2.051 -5.575 411 1HB LEU 58 HB2 LEU 58 74.742 -4.677 -6.263 412 2HB LEU 58 HB1 LEU 58 75.610 -4.534 -4.734 413 HG LEU 58 HG LEU 58 73.183 -3.156 -4.353 414 1HD1 LEU 58 HD11 LEU 58 72.772 -4.862 -6.479 415 2HD1 LEU 58 HD13 LEU 58 72.290 -5.856 -5.103 416 3HD1 LEU 58 HD12 LEU 58 71.513 -4.297 -5.381 417 1HD2 LEU 58 HD23 LEU 58 74.723 -5.253 -3.195 418 2HD2 LEU 58 HD22 LEU 58 73.417 -4.333 -2.447 419 3HD2 LEU 58 HD21 LEU 58 73.060 -5.830 -3.309 420 H ASP 59 HN ASP 59 77.689 -3.054 -5.722 421 HA ASP 59 HA ASP 59 78.379 -2.391 -3.041 422 1HB ASP 59 HB2 ASP 59 79.742 -3.169 -5.432 423 2HB ASP 59 HB1 ASP 59 80.574 -1.765 -4.759 424 H ALA 60 HN ALA 60 78.544 -0.405 -6.012 425 HA ALA 60 HA ALA 60 79.530 1.947 -4.702 426 1HB ALA 60 HB3 ALA 60 79.005 1.208 -7.320 427 2HB ALA 60 HB2 ALA 60 77.797 2.456 -7.010 428 3HB ALA 60 HB1 ALA 60 79.511 2.813 -6.794 429 H ILE 61 HN ILE 61 76.297 0.637 -5.127 430 HA ILE 61 HA ILE 61 74.886 3.051 -4.417 431 HB ILE 61 HB ILE 61 74.152 0.125 -4.480 432 1HG1 ILE 61 HG12 ILE 61 72.690 2.270 -5.941 433 2HG1 ILE 61 HG11 ILE 61 74.341 1.941 -6.467 434 1HG2 ILE 61 HG22 ILE 61 72.442 2.455 -3.559 435 2HG2 ILE 61 HG21 ILE 61 71.806 0.867 -3.990 436 3HG2 ILE 61 HG23 ILE 61 72.894 1.037 -2.610 437 1HD1 ILE 61 HD13 ILE 61 73.595 -0.562 -6.404 438 2HD1 ILE 61 HD12 ILE 61 71.962 0.097 -6.454 439 3HD1 ILE 61 HD11 ILE 61 73.092 0.439 -7.764 440 H ILE 62 HN ILE 62 76.015 0.241 -2.546 441 HA ILE 62 HA ILE 62 74.854 0.818 -0.060 442 HB ILE 62 HB ILE 62 77.577 -0.329 -0.716 443 1HG1 ILE 62 HG12 ILE 62 74.904 -1.539 0.060 444 2HG1 ILE 62 HG11 ILE 62 75.703 -1.672 -1.508 445 1HG2 ILE 62 HG21 ILE 62 77.492 0.651 1.584 446 2HG2 ILE 62 HG23 ILE 62 76.099 -0.375 1.931 447 3HG2 ILE 62 HG22 ILE 62 77.669 -1.105 1.591 448 1HD1 ILE 62 HD13 ILE 62 77.600 -2.513 0.412 449 2HD1 ILE 62 HD12 ILE 62 76.080 -3.291 0.851 450 3HD1 ILE 62 HD11 ILE 62 76.751 -3.517 -0.764 451 H GLU 63 HN GLU 63 77.698 2.289 -1.572 452 HA GLU 63 HA GLU 63 78.566 3.743 0.749 453 1HB GLU 63 HB2 GLU 63 79.065 3.934 -2.198 454 2HB GLU 63 HB1 GLU 63 79.557 5.277 -1.167 455 1HG GLU 63 HG2 GLU 63 80.944 3.832 0.179 456 2HG GLU 63 HG1 GLU 63 80.317 2.396 -0.630 457 H GLU 64 HN GLU 64 76.363 4.582 -1.924 458 HA GLU 64 HA GLU 64 75.965 7.294 -0.954 459 1HB GLU 64 HB2 GLU 64 74.046 7.271 -2.612 460 2HB GLU 64 HB1 GLU 64 75.629 6.908 -3.300 461 1HG GLU 64 HG2 GLU 64 75.169 4.567 -3.374 462 2HG GLU 64 HG1 GLU 64 73.740 4.745 -2.357 463 H VAL 65 HN VAL 65 74.570 4.204 -0.196 464 HA VAL 65 HA VAL 65 72.091 5.327 0.880 465 HB VAL 65 HB VAL 65 73.097 2.632 1.705 466 1HG1 VAL 65 HG13 VAL 65 70.720 3.995 1.963 467 2HG1 VAL 65 HG12 VAL 65 70.419 2.995 0.541 468 3HG1 VAL 65 HG11 VAL 65 70.890 2.244 2.066 469 1HG2 VAL 65 HG21 VAL 65 72.837 3.558 -1.060 470 2HG2 VAL 65 HG23 VAL 65 73.519 2.054 -0.442 471 3HG2 VAL 65 HG22 VAL 65 71.781 2.190 -0.704 472 H ASP 66 HN ASP 66 75.222 4.278 2.165 473 HA ASP 66 HA ASP 66 74.354 4.957 4.913 474 1HB ASP 66 HB2 ASP 66 76.692 3.544 3.695 475 2HB ASP 66 HB1 ASP 66 76.921 4.320 5.263 476 H GLU 67 HN GLU 67 74.129 7.268 3.813 477 HA GLU 67 HA GLU 67 76.527 8.777 3.323 478 1HB GLU 67 HB2 GLU 67 73.693 9.565 4.021 479 2HB GLU 67 HB1 GLU 67 74.963 10.762 3.768 480 1HG GLU 67 HG2 GLU 67 74.877 8.716 1.668 481 2HG GLU 67 HG1 GLU 67 73.394 9.665 1.775 482 H ASP 68 HN ASP 68 74.838 7.857 6.229 483 HA ASP 68 HA ASP 68 76.169 9.875 7.888 484 1HB ASP 68 HB2 ASP 68 75.189 8.394 9.767 485 2HB ASP 68 HB1 ASP 68 74.045 9.224 8.713 486 H GLY 69 HN GLY 69 77.027 6.879 6.545 487 1HA GLY 69 HA2 GLY 69 78.905 5.511 6.862 488 2HA GLY 69 HA1 GLY 69 79.623 6.875 7.719 489 H SER 70 HN SER 70 76.624 5.263 8.666 490 HA SER 70 HA SER 70 77.698 4.845 11.356 491 1HB SER 70 HB2 SER 70 75.206 3.464 10.880 492 2HB SER 70 HB1 SER 70 75.518 4.852 11.917 493 HG SER 70 HG SER 70 74.241 4.788 9.603 494 H GLY 71 HN GLY 71 77.234 2.940 8.464 495 1HA GLY 71 HA2 GLY 71 78.435 0.876 8.088 496 2HA GLY 71 HA1 GLY 71 78.554 0.662 9.835 497 H THR 72 HN THR 72 75.458 1.669 8.895 498 HA THR 72 HA THR 72 74.430 -1.053 8.419 499 HB THR 72 HB THR 72 72.716 -0.235 10.415 500 HG1 THR 72 HG1 THR 72 74.005 0.477 12.086 501 1HG2 THR 72 HG21 THR 72 73.786 -2.488 9.986 502 2HG2 THR 72 HG23 THR 72 75.202 -1.902 10.857 503 3HG2 THR 72 HG22 THR 72 73.654 -2.046 11.688 504 H ILE 73 HN ILE 73 72.162 -1.001 7.741 505 HA ILE 73 HA ILE 73 71.401 1.686 6.686 506 HB ILE 73 HB ILE 73 70.456 -1.052 5.791 507 1HG1 ILE 73 HG12 ILE 73 72.929 -0.503 5.426 508 2HG1 ILE 73 HG11 ILE 73 72.003 -0.878 3.973 509 1HG2 ILE 73 HG21 ILE 73 68.895 0.836 5.354 510 2HG2 ILE 73 HG23 ILE 73 70.187 1.682 4.505 511 3HG2 ILE 73 HG22 ILE 73 69.557 0.164 3.866 512 1HD1 ILE 73 HD13 ILE 73 71.646 1.596 3.652 513 2HD1 ILE 73 HD12 ILE 73 72.761 1.875 4.990 514 3HD1 ILE 73 HD11 ILE 73 73.332 1.093 3.516 515 H ASP 74 HN ASP 74 69.449 2.573 7.280 516 HA ASP 74 HA ASP 74 67.829 1.013 9.242 517 1HB ASP 74 HB2 ASP 74 68.882 3.395 9.705 518 2HB ASP 74 HB1 ASP 74 67.478 3.960 8.799 519 H PHE 75 HN PHE 75 65.396 1.648 9.130 520 HA PHE 75 HA PHE 75 64.299 0.805 6.686 521 1HB PHE 75 HB2 PHE 75 63.164 1.055 8.994 522 2HB PHE 75 HB1 PHE 75 62.856 2.725 8.512 523 HD1 PHE 75 HD2 PHE 75 62.881 -0.446 6.533 524 HD2 PHE 75 HD1 PHE 75 60.584 2.889 7.953 525 HE1 PHE 75 HE2 PHE 75 60.950 -1.197 5.168 526 HE2 PHE 75 HE1 PHE 75 58.650 2.141 6.591 527 HZ PHE 75 HZ PHE 75 58.834 0.098 5.198 528 H GLU 76 HN GLU 76 65.072 4.091 7.769 529 HA GLU 76 HA GLU 76 63.788 5.396 5.529 530 1HB GLU 76 HB2 GLU 76 65.004 7.392 6.262 531 2HB GLU 76 HB1 GLU 76 64.317 6.562 7.659 532 1HG GLU 76 HG2 GLU 76 66.561 5.382 7.907 533 2HG GLU 76 HG1 GLU 76 67.190 6.517 6.713 534 H GLU 77 HN GLU 77 66.973 4.005 6.065 535 HA GLU 77 HA GLU 77 68.078 5.217 3.631 536 1HB GLU 77 HB2 GLU 77 69.145 3.089 5.508 537 2HB GLU 77 HB1 GLU 77 70.041 3.741 4.135 538 1HG GLU 77 HG2 GLU 77 69.949 5.984 5.083 539 2HG GLU 77 HG1 GLU 77 68.935 5.414 6.409 540 H PHE 78 HN PHE 78 66.325 2.350 4.471 541 HA PHE 78 HA PHE 78 67.232 0.687 2.303 542 1HB PHE 78 HB2 PHE 78 66.129 -0.611 3.854 543 2HB PHE 78 HB1 PHE 78 64.999 0.672 4.276 544 HD1 PHE 78 HD2 PHE 78 63.157 1.257 2.638 545 HD2 PHE 78 HD1 PHE 78 65.525 -2.306 2.307 546 HE1 PHE 78 HE2 PHE 78 61.431 0.247 1.165 547 HE2 PHE 78 HE1 PHE 78 63.804 -3.319 0.832 548 HZ PHE 78 HZ PHE 78 61.757 -2.040 0.261 549 H LEU 79 HN LEU 79 64.460 2.895 2.705 550 HA LEU 79 HA LEU 79 63.274 2.501 0.165 551 1HB LEU 79 HB2 LEU 79 63.464 5.118 1.689 552 2HB LEU 79 HB1 LEU 79 62.257 4.697 0.476 553 HG LEU 79 HG LEU 79 62.654 3.176 3.068 554 1HD1 LEU 79 HD12 LEU 79 61.824 5.587 3.283 555 2HD1 LEU 79 HD11 LEU 79 60.396 5.069 2.387 556 3HD1 LEU 79 HD13 LEU 79 60.767 4.341 3.950 557 1HD2 LEU 79 HD22 LEU 79 61.616 2.096 0.935 558 2HD2 LEU 79 HD21 LEU 79 60.734 1.951 2.456 559 3HD2 LEU 79 HD23 LEU 79 60.239 3.149 1.260 560 H VAL 80 HN VAL 80 66.233 4.048 1.065 561 HA VAL 80 HA VAL 80 66.541 5.778 -1.207 562 HB VAL 80 HB VAL 80 68.718 4.386 0.381 563 1HG1 VAL 80 HG11 VAL 80 68.612 6.631 -1.593 564 2HG1 VAL 80 HG13 VAL 80 69.760 6.752 -0.259 565 3HG1 VAL 80 HG12 VAL 80 69.844 5.388 -1.373 566 1HG2 VAL 80 HG21 VAL 80 67.117 5.597 1.841 567 2HG2 VAL 80 HG23 VAL 80 68.691 6.390 1.807 568 3HG2 VAL 80 HG22 VAL 80 67.350 7.050 0.871 569 H MET 81 HN MET 81 67.710 2.460 -0.565 570 HA MET 81 HA MET 81 68.972 2.055 -3.077 571 1HB MET 81 HB2 MET 81 67.539 0.005 -1.358 572 2HB MET 81 HB1 MET 81 68.731 -0.346 -2.610 573 1HG MET 81 HG2 MET 81 70.055 1.500 -1.052 574 2HG MET 81 HG1 MET 81 69.135 0.592 0.147 575 1HE MET 81 HE3 MET 81 71.671 0.767 0.561 576 2HE MET 81 HE2 MET 81 72.517 -0.778 0.606 577 3HE MET 81 HE1 MET 81 72.814 0.343 -0.720 578 H MET 82 HN MET 82 65.596 1.802 -2.092 579 HA MET 82 HA MET 82 64.624 0.475 -4.442 580 1HB MET 82 HB2 MET 82 63.433 2.089 -2.232 581 2HB MET 82 HB1 MET 82 62.471 1.884 -3.696 582 1HG MET 82 HG2 MET 82 61.981 0.088 -2.096 583 2HG MET 82 HG1 MET 82 62.762 -0.565 -3.534 584 1HE MET 82 HE1 MET 82 64.483 -1.580 -3.816 585 2HE MET 82 HE3 MET 82 65.992 -0.862 -3.232 586 3HE MET 82 HE2 MET 82 65.461 -2.425 -2.618 587 H VAL 83 HN VAL 83 63.878 3.852 -3.618 588 HA VAL 83 HA VAL 83 63.272 4.686 -6.231 589 HB VAL 83 HB VAL 83 64.447 6.286 -3.941 590 1HG1 VAL 83 HG11 VAL 83 63.289 7.092 -6.610 591 2HG1 VAL 83 HG13 VAL 83 63.246 8.183 -5.226 592 3HG1 VAL 83 HG12 VAL 83 64.794 7.625 -5.862 593 1HG2 VAL 83 HG21 VAL 83 62.025 4.991 -4.104 594 2HG2 VAL 83 HG23 VAL 83 62.329 6.421 -3.118 595 3HG2 VAL 83 HG22 VAL 83 61.620 6.593 -4.723 596 H ARG 84 HN ARG 84 66.365 3.980 -4.871 597 HA ARG 84 HA ARG 84 68.032 5.681 -6.422 598 1HB ARG 84 HB2 ARG 84 68.381 3.442 -4.696 599 2HB ARG 84 HB1 ARG 84 69.255 3.099 -6.187 600 1HG ARG 84 HG2 ARG 84 70.675 4.321 -4.565 601 2HG ARG 84 HG1 ARG 84 70.409 5.262 -6.032 602 1HD ARG 84 HD2 ARG 84 68.292 5.777 -4.135 603 2HD ARG 84 HD1 ARG 84 69.860 6.055 -3.378 604 HE ARG 84 HE ARG 84 70.191 7.392 -5.708 605 1HH1 ARG 84 HH21 ARG 84 67.548 7.858 -6.507 606 2HH1 ARG 84 HH22 ARG 84 66.980 9.175 -5.535 607 1HH2 ARG 84 HH11 ARG 84 69.470 8.831 -3.146 608 2HH2 ARG 84 HH12 ARG 84 68.069 9.727 -3.633 609 H GLN 85 HN GLN 85 67.296 2.237 -7.113 610 HA GLN 85 HA GLN 85 68.051 2.656 -9.925 611 1HB GLN 85 HB2 GLN 85 66.837 0.166 -8.704 612 2HB GLN 85 HB1 GLN 85 67.816 0.285 -10.166 613 1HG GLN 85 HG2 GLN 85 68.718 0.699 -7.306 614 2HG GLN 85 HG1 GLN 85 69.262 -0.543 -8.436 615 1HE2 GLN 85 HE22 GLN 85 71.102 1.948 -10.432 616 2HE2 GLN 85 HE21 GLN 85 69.978 0.705 -10.702 617 H MET 86 HN MET 86 65.251 3.039 -8.079 618 HA MET 86 HA MET 86 63.396 2.294 -10.251 619 1HB MET 86 HB2 MET 86 63.198 2.862 -7.390 620 2HB MET 86 HB1 MET 86 61.942 3.678 -8.322 621 1HG MET 86 HG2 MET 86 62.033 1.154 -9.465 622 2HG MET 86 HG1 MET 86 62.272 0.826 -7.749 623 1HE MET 86 HE3 MET 86 61.309 2.601 -6.236 624 2HE MET 86 HE2 MET 86 59.684 3.274 -6.320 625 3HE MET 86 HE1 MET 86 59.913 1.610 -5.790 626 H LYS 87 HN LYS 87 65.275 4.971 -9.411 627 HA LYS 87 HA LYS 87 63.370 6.924 -10.571 628 1HB LYS 87 HB2 LYS 87 64.402 7.847 -8.668 629 2HB LYS 87 HB1 LYS 87 65.966 7.129 -9.052 630 1HG LYS 87 HG2 LYS 87 66.536 8.811 -10.490 631 2HG LYS 87 HG1 LYS 87 64.883 9.018 -11.067 632 1HD LYS 87 HD2 LYS 87 64.403 10.595 -9.497 633 2HD LYS 87 HD1 LYS 87 65.291 9.742 -8.233 634 1HE LYS 87 HE2 LYS 87 66.957 11.235 -8.471 635 2HE LYS 87 HE1 LYS 87 67.230 10.607 -10.096 636 1HZ LYS 87 HZ2 LYS 87 64.989 12.419 -9.840 637 2HZ LYS 87 HZ1 LYS 87 66.510 13.124 -9.561 638 3HZ LYS 87 HZ3 LYS 87 66.197 12.343 -11.033 639 H GLU 88 HN GLU 88 66.891 6.396 -10.980 640 HA GLU 88 HA GLU 88 66.619 7.196 -13.813 641 1HB GLU 88 HB2 GLU 88 68.876 6.892 -11.877 642 2HB GLU 88 HB1 GLU 88 69.235 6.713 -13.596 643 1HG GLU 88 HG2 GLU 88 67.603 8.944 -13.546 644 2HG GLU 88 HG1 GLU 88 68.563 9.129 -12.076 645 H ASP 89 HN ASP 89 66.751 5.766 -15.498 646 HA ASP 89 HA ASP 89 67.496 2.943 -14.847 647 1HB ASP 89 HB2 ASP 89 64.968 3.567 -15.319 648 2HB ASP 89 HB1 ASP 89 65.502 3.560 -17.001 649 H ALA 90 HN ALA 90 69.085 5.185 -15.996 650 HA ALA 90 HA ALA 90 69.510 4.165 -18.767 651 1HB ALA 90 HB3 ALA 90 69.131 6.608 -18.520 652 2HB ALA 90 HB2 ALA 90 70.540 6.704 -17.464 653 3HB ALA 90 HB1 ALA 90 70.736 6.254 -19.158 No H/Q in entry = 653 Start of MODEL 9 1 1H ALA 1 HT3 ALA 1 65.900 13.939 12.744 2 2H ALA 1 HT2 ALA 1 67.008 14.440 13.931 3 3H ALA 1 HT1 ALA 1 65.709 13.428 14.350 4 HA ALA 1 HA ALA 1 64.176 15.096 14.305 5 1HB ALA 1 HB2 ALA 1 66.685 15.718 15.511 6 2HB ALA 1 HB1 ALA 1 66.049 17.205 14.808 7 3HB ALA 1 HB3 ALA 1 65.087 16.299 15.975 8 H SER 2 HN SER 2 66.759 15.509 12.027 9 HA SER 2 HA SER 2 65.384 17.838 10.788 10 1HB SER 2 HB2 SER 2 68.060 17.318 11.158 11 2HB SER 2 HB1 SER 2 67.818 16.800 9.493 12 HG SER 2 HG SER 2 66.810 19.255 10.470 13 H MET 3 HN MET 3 66.230 17.340 8.116 14 HA MET 3 HA MET 3 64.931 14.754 7.423 15 1HB MET 3 HB2 MET 3 63.772 16.167 5.530 16 2HB MET 3 HB1 MET 3 63.055 16.114 7.140 17 1HG MET 3 HG2 MET 3 64.355 18.213 7.690 18 2HG MET 3 HG1 MET 3 64.808 18.301 5.988 19 1HE MET 3 HE2 MET 3 63.408 19.866 8.202 20 2HE MET 3 HE1 MET 3 62.565 20.989 7.138 21 3HE MET 3 HE3 MET 3 61.647 19.928 8.217 22 H THR 4 HN THR 4 66.484 13.748 6.238 23 HA THR 4 HA THR 4 68.535 15.213 4.799 24 HB THR 4 HB THR 4 68.775 12.718 3.809 25 HG1 THR 4 HG1 THR 4 67.790 12.131 6.342 26 1HG2 THR 4 HG22 THR 4 69.987 14.254 5.786 27 2HG2 THR 4 HG21 THR 4 69.597 12.744 6.610 28 3HG2 THR 4 HG23 THR 4 70.588 12.723 5.152 29 H ASP 5 HN ASP 5 68.727 15.481 2.544 30 HA ASP 5 HA ASP 5 66.256 15.732 1.080 31 1HB ASP 5 HB2 ASP 5 69.126 15.781 0.097 32 2HB ASP 5 HB1 ASP 5 67.723 16.290 -0.840 33 H GLN 6 HN GLN 6 68.934 13.380 0.955 34 HA GLN 6 HA GLN 6 68.042 11.874 -1.265 35 1HB GLN 6 HB2 GLN 6 69.380 10.843 1.259 36 2HB GLN 6 HB1 GLN 6 69.309 9.998 -0.288 37 1HG GLN 6 HG2 GLN 6 70.805 11.450 -1.309 38 2HG GLN 6 HG1 GLN 6 70.412 12.783 -0.222 39 1HE2 GLN 6 HE22 GLN 6 73.400 10.217 0.751 40 2HE2 GLN 6 HE21 GLN 6 72.517 10.036 -0.688 41 H GLN 7 HN GLN 7 67.097 11.672 2.158 42 HA GLN 7 HA GLN 7 65.274 9.444 1.666 43 1HB GLN 7 HB2 GLN 7 65.427 11.309 4.055 44 2HB GLN 7 HB1 GLN 7 64.621 9.741 3.999 45 1HG GLN 7 HG2 GLN 7 66.771 8.630 3.569 46 2HG GLN 7 HG1 GLN 7 67.590 10.194 3.580 47 1HE2 GLN 7 HE22 GLN 7 68.026 8.906 7.003 48 2HE2 GLN 7 HE21 GLN 7 68.617 8.567 5.448 49 H ALA 8 HN ALA 8 65.133 12.898 1.473 50 HA ALA 8 HA ALA 8 62.272 13.174 1.806 51 1HB ALA 8 HB2 ALA 8 64.269 14.956 0.375 52 2HB ALA 8 HB1 ALA 8 62.614 15.409 0.779 53 3HB ALA 8 HB3 ALA 8 63.780 15.097 2.063 54 H GLU 9 HN GLU 9 64.393 12.529 -0.944 55 HA GLU 9 HA GLU 9 62.219 12.811 -2.886 56 1HB GLU 9 HB2 GLU 9 63.841 12.266 -4.536 57 2HB GLU 9 HB1 GLU 9 64.728 13.194 -3.327 58 1HG GLU 9 HG2 GLU 9 65.246 10.888 -2.254 59 2HG GLU 9 HG1 GLU 9 64.764 10.220 -3.812 60 H ALA 10 HN ALA 10 63.729 10.221 -1.052 61 HA ALA 10 HA ALA 10 62.621 8.045 -2.581 62 1HB ALA 10 HB1 ALA 10 64.417 8.262 -0.495 63 2HB ALA 10 HB3 ALA 10 63.013 7.532 0.283 64 3HB ALA 10 HB2 ALA 10 63.755 6.747 -1.110 65 H ARG 11 HN ARG 11 61.668 9.275 0.653 66 HA ARG 11 HA ARG 11 59.185 7.836 0.684 67 1HB ARG 11 HB2 ARG 11 60.608 9.634 2.412 68 2HB ARG 11 HB1 ARG 11 58.936 10.180 2.279 69 1HG ARG 11 HG2 ARG 11 58.075 8.138 3.086 70 2HG ARG 11 HG1 ARG 11 59.578 7.273 2.760 71 1HD ARG 11 HD2 ARG 11 60.284 7.704 4.850 72 2HD ARG 11 HD1 ARG 11 60.180 9.434 4.527 73 HE ARG 11 HE ARG 11 57.558 8.664 5.060 74 1HH1 ARG 11 HH11 ARG 11 59.912 7.057 6.706 75 2HH1 ARG 11 HH12 ARG 11 59.574 7.733 8.265 76 1HH2 ARG 11 HH21 ARG 11 57.413 10.154 7.042 77 2HH2 ARG 11 HH22 ARG 11 58.161 9.487 8.455 78 H ALA 12 HN ALA 12 60.068 11.076 -0.434 79 HA ALA 12 HA ALA 12 57.409 12.065 -0.793 80 1HB ALA 12 HB3 ALA 12 60.005 12.727 -2.205 81 2HB ALA 12 HB2 ALA 12 58.503 13.611 -2.471 82 3HB ALA 12 HB1 ALA 12 59.256 13.611 -0.875 83 H PHE 13 HN PHE 13 59.446 9.984 -2.774 84 HA PHE 13 HA PHE 13 57.569 10.124 -5.042 85 1HB PHE 13 HB2 PHE 13 60.087 9.904 -5.300 86 2HB PHE 13 HB1 PHE 13 59.925 8.256 -4.693 87 HD1 PHE 13 HD1 PHE 13 58.346 10.531 -7.226 88 HD2 PHE 13 HD2 PHE 13 59.611 6.547 -6.240 89 HE1 PHE 13 HE1 PHE 13 57.684 9.763 -9.490 90 HE2 PHE 13 HE2 PHE 13 58.949 5.776 -8.505 91 HZ PHE 13 HZ PHE 13 57.985 7.385 -10.129 92 H LEU 14 HN LEU 14 58.249 8.053 -2.306 93 HA LEU 14 HA LEU 14 56.530 5.905 -3.404 94 1HB LEU 14 HB2 LEU 14 57.916 6.011 -0.713 95 2HB LEU 14 HB1 LEU 14 57.266 4.586 -1.526 96 HG LEU 14 HG LEU 14 59.413 6.291 -2.792 97 1HD1 LEU 14 HD11 LEU 14 59.673 4.025 -0.811 98 2HD1 LEU 14 HD13 LEU 14 60.955 4.408 -1.960 99 3HD1 LEU 14 HD12 LEU 14 60.452 5.608 -0.769 100 1HD2 LEU 14 HD23 LEU 14 57.973 4.566 -4.063 101 2HD2 LEU 14 HD22 LEU 14 59.723 4.419 -4.220 102 3HD2 LEU 14 HD21 LEU 14 58.842 3.345 -3.136 103 H SER 15 HN SER 15 54.675 5.134 -2.163 104 HA SER 15 HA SER 15 53.380 7.350 -0.636 105 1HB SER 15 HB2 SER 15 51.799 5.001 -1.554 106 2HB SER 15 HB1 SER 15 51.360 6.706 -1.520 107 HG SER 15 HG SER 15 52.622 5.217 -3.474 108 H GLU 16 HN GLU 16 51.997 6.648 1.215 109 HA GLU 16 HA GLU 16 53.429 5.016 3.055 110 1HB GLU 16 HB2 GLU 16 50.849 6.421 2.985 111 2HB GLU 16 HB1 GLU 16 50.830 4.969 3.987 112 1HG GLU 16 HG2 GLU 16 52.754 5.752 5.251 113 2HG GLU 16 HG1 GLU 16 52.926 7.149 4.187 114 H GLU 17 HN GLU 17 50.907 4.240 0.726 115 HA GLU 17 HA GLU 17 50.228 1.660 1.786 116 1HB GLU 17 HB2 GLU 17 49.030 3.080 -0.041 117 2HB GLU 17 HB1 GLU 17 50.156 2.305 -1.156 118 1HG GLU 17 HG2 GLU 17 48.877 0.456 -1.171 119 2HG GLU 17 HG1 GLU 17 49.097 0.289 0.571 120 H MET 18 HN MET 18 52.855 2.792 -0.253 121 HA MET 18 HA MET 18 53.678 0.039 -0.917 122 1HB MET 18 HB2 MET 18 54.695 2.787 -1.607 123 2HB MET 18 HB1 MET 18 55.697 1.365 -1.899 124 1HG MET 18 HG2 MET 18 52.868 1.713 -2.927 125 2HG MET 18 HG1 MET 18 54.322 1.989 -3.885 126 1HE MET 18 HE2 MET 18 55.806 0.584 -4.693 127 2HE MET 18 HE1 MET 18 55.653 -1.151 -4.960 128 3HE MET 18 HE3 MET 18 54.532 -0.028 -5.746 129 H ILE 19 HN ILE 19 55.325 2.817 0.651 130 HA ILE 19 HA ILE 19 57.514 1.501 1.721 131 HB ILE 19 HB ILE 19 55.795 3.656 2.973 132 1HG1 ILE 19 HG12 ILE 19 58.498 4.346 2.166 133 2HG1 ILE 19 HG11 ILE 19 57.602 3.645 0.817 134 1HG2 ILE 19 HG22 ILE 19 58.241 2.249 3.958 135 2HG2 ILE 19 HG21 ILE 19 58.138 3.991 4.207 136 3HG2 ILE 19 HG23 ILE 19 56.895 2.932 4.872 137 1HD1 ILE 19 HD11 ILE 19 56.351 5.762 2.558 138 2HD1 ILE 19 HD13 ILE 19 57.405 6.206 1.218 139 3HD1 ILE 19 HD12 ILE 19 55.926 5.296 0.912 140 H ALA 20 HN ALA 20 54.175 1.163 2.671 141 HA ALA 20 HA ALA 20 54.634 -0.019 5.254 142 1HB ALA 20 HB2 ALA 20 52.402 0.699 3.714 143 2HB ALA 20 HB1 ALA 20 52.270 -1.047 3.916 144 3HB ALA 20 HB3 ALA 20 52.381 -0.003 5.332 145 H GLU 21 HN GLU 21 53.994 -1.481 2.047 146 HA GLU 21 HA GLU 21 54.268 -4.185 2.947 147 1HB GLU 21 HB2 GLU 21 54.206 -4.797 0.669 148 2HB GLU 21 HB1 GLU 21 53.296 -3.288 0.713 149 1HG GLU 21 HG2 GLU 21 55.610 -2.169 0.231 150 2HG GLU 21 HG1 GLU 21 56.084 -3.779 -0.307 151 H PHE 22 HN PHE 22 56.619 -1.790 1.867 152 HA PHE 22 HA PHE 22 58.822 -3.608 1.545 153 1HB PHE 22 HB2 PHE 22 58.846 -0.663 2.270 154 2HB PHE 22 HB1 PHE 22 60.229 -1.587 1.688 155 HD1 PHE 22 HD1 PHE 22 58.316 -3.307 -0.210 156 HD2 PHE 22 HD2 PHE 22 59.046 0.891 0.342 157 HE1 PHE 22 HE1 PHE 22 57.617 -2.878 -2.548 158 HE2 PHE 22 HE2 PHE 22 58.345 1.319 -1.998 159 HZ PHE 22 HZ PHE 22 57.631 -0.565 -3.443 160 H LYS 23 HN LYS 23 57.573 -1.793 4.328 161 HA LYS 23 HA LYS 23 59.662 -2.161 6.156 162 1HB LYS 23 HB2 LYS 23 57.009 -1.317 6.302 163 2HB LYS 23 HB1 LYS 23 57.068 -2.715 7.376 164 1HG LYS 23 HG2 LYS 23 59.204 -0.595 7.502 165 2HG LYS 23 HG1 LYS 23 57.679 -0.385 8.361 166 1HD LYS 23 HD2 LYS 23 58.096 -2.724 9.341 167 2HD LYS 23 HD1 LYS 23 59.745 -2.556 8.739 168 1HE LYS 23 HE2 LYS 23 58.360 -0.637 10.637 169 2HE LYS 23 HE1 LYS 23 59.593 -1.816 11.086 170 1HZ LYS 23 HZ1 LYS 23 60.609 -0.374 8.949 171 2HZ LYS 23 HZ3 LYS 23 59.926 0.770 10.000 172 3HZ LYS 23 HZ2 LYS 23 61.109 -0.307 10.573 173 H ALA 24 HN ALA 24 57.527 -4.538 4.785 174 HA ALA 24 HA ALA 24 57.937 -6.569 6.810 175 1HB ALA 24 HB2 ALA 24 57.062 -6.742 3.912 176 2HB ALA 24 HB1 ALA 24 57.086 -8.119 5.014 177 3HB ALA 24 HB3 ALA 24 56.022 -6.748 5.336 178 H ALA 25 HN ALA 25 59.373 -5.999 3.584 179 HA ALA 25 HA ALA 25 61.194 -8.190 3.668 180 1HB ALA 25 HB3 ALA 25 60.583 -6.154 1.866 181 2HB ALA 25 HB2 ALA 25 62.262 -5.840 2.305 182 3HB ALA 25 HB1 ALA 25 61.803 -7.407 1.638 183 H PHE 26 HN PHE 26 61.523 -4.819 4.762 184 HA PHE 26 HA PHE 26 64.244 -4.777 5.423 185 1HB PHE 26 HB2 PHE 26 62.493 -2.910 5.673 186 2HB PHE 26 HB1 PHE 26 62.129 -3.622 7.245 187 HD1 PHE 26 HD1 PHE 26 65.313 -3.058 5.332 188 HD2 PHE 26 HD2 PHE 26 63.111 -2.391 8.960 189 HE1 PHE 26 HE1 PHE 26 67.277 -1.905 6.313 190 HE2 PHE 26 HE2 PHE 26 65.075 -1.238 9.940 191 HZ PHE 26 HZ PHE 26 67.158 -0.995 8.617 192 H ASP 27 HN ASP 27 61.748 -5.331 7.928 193 HA ASP 27 HA ASP 27 63.506 -6.492 9.810 194 1HB ASP 27 HB2 ASP 27 61.536 -7.292 10.951 195 2HB ASP 27 HB1 ASP 27 61.134 -5.731 10.237 196 H MET 28 HN MET 28 62.263 -7.798 6.882 197 HA MET 28 HA MET 28 62.208 -10.572 7.461 198 1HB MET 28 HB2 MET 28 61.908 -9.010 5.191 199 2HB MET 28 HB1 MET 28 63.368 -9.938 4.846 200 1HG MET 28 HG2 MET 28 61.614 -11.790 6.002 201 2HG MET 28 HG1 MET 28 60.601 -10.830 4.922 202 1HE MET 28 HE2 MET 28 60.694 -10.458 2.859 203 2HE MET 28 HE1 MET 28 62.229 -10.344 2.001 204 3HE MET 28 HE3 MET 28 61.118 -11.678 1.661 205 H PHE 29 HN PHE 29 64.930 -8.461 6.566 206 HA PHE 29 HA PHE 29 66.768 -10.759 7.070 207 1HB PHE 29 HB2 PHE 29 67.647 -8.134 5.897 208 2HB PHE 29 HB1 PHE 29 68.328 -9.743 5.652 209 HD1 PHE 29 HD2 PHE 29 65.338 -7.629 4.940 210 HD2 PHE 29 HD1 PHE 29 67.601 -11.118 3.868 211 HE1 PHE 29 HE2 PHE 29 63.933 -7.919 2.916 212 HE2 PHE 29 HE1 PHE 29 66.196 -11.408 1.844 213 HZ PHE 29 HZ PHE 29 64.363 -9.808 1.369 214 H ASP 30 HN ASP 30 65.496 -9.287 9.230 215 HA ASP 30 HA ASP 30 67.597 -7.513 10.297 216 1HB ASP 30 HB2 ASP 30 66.063 -7.157 12.162 217 2HB ASP 30 HB1 ASP 30 65.172 -7.010 10.647 218 H ALA 31 HN ALA 31 69.383 -8.711 10.897 219 HA ALA 31 HA ALA 31 69.233 -11.353 12.037 220 1HB ALA 31 HB2 ALA 31 71.466 -9.302 12.175 221 2HB ALA 31 HB1 ALA 31 71.625 -11.013 12.568 222 3HB ALA 31 HB3 ALA 31 71.264 -10.520 10.915 223 H ASP 32 HN ASP 32 69.817 -8.140 13.499 224 HA ASP 32 HA ASP 32 69.751 -9.245 16.202 225 1HB ASP 32 HB2 ASP 32 69.969 -6.495 15.014 226 2HB ASP 32 HB1 ASP 32 69.572 -6.671 16.722 227 H GLY 33 HN GLY 33 67.547 -7.316 14.168 228 1HA GLY 33 HA2 GLY 33 65.143 -7.619 14.244 229 2HA GLY 33 HA1 GLY 33 65.306 -8.267 15.877 230 H GLY 34 HN GLY 34 67.246 -5.530 15.413 231 1HA GLY 34 HA2 GLY 34 65.466 -3.950 17.150 232 2HA GLY 34 HA1 GLY 34 67.111 -3.516 16.686 233 H GLY 35 HN GLY 35 65.566 -4.452 13.907 234 1HA GLY 35 HA2 GLY 35 64.197 -3.235 12.344 235 2HA GLY 35 HA1 GLY 35 64.319 -1.815 13.383 236 H ASP 36 HN ASP 36 66.897 -3.906 12.076 237 HA ASP 36 HA ASP 36 67.758 -1.909 10.146 238 1HB ASP 36 HB2 ASP 36 70.037 -1.654 11.361 239 2HB ASP 36 HB1 ASP 36 68.678 -0.702 11.957 240 H ILE 37 HN ILE 37 68.594 -3.133 8.531 241 HA ILE 37 HA ILE 37 69.847 -5.737 9.280 242 HB ILE 37 HB ILE 37 68.240 -6.424 7.827 243 1HG1 ILE 37 HG12 ILE 37 70.587 -6.591 6.654 244 2HG1 ILE 37 HG11 ILE 37 69.129 -6.969 5.749 245 1HG2 ILE 37 HG22 ILE 37 67.280 -4.129 7.653 246 2HG2 ILE 37 HG21 ILE 37 68.398 -3.795 6.330 247 3HG2 ILE 37 HG23 ILE 37 67.159 -5.038 6.146 248 1HD1 ILE 37 HD12 ILE 37 69.102 -4.667 4.835 249 2HD1 ILE 37 HD11 ILE 37 70.588 -4.308 5.712 250 3HD1 ILE 37 HD13 ILE 37 70.595 -5.511 4.426 251 H SER 38 HN SER 38 71.759 -6.372 8.098 252 HA SER 38 HA SER 38 73.581 -4.105 7.693 253 1HB SER 38 HB2 SER 38 73.993 -7.101 7.485 254 2HB SER 38 HB1 SER 38 75.276 -5.912 7.284 255 HG SER 38 HG SER 38 74.515 -6.955 9.509 256 H THR 39 HN THR 39 74.546 -3.542 5.699 257 HA THR 39 HA THR 39 72.967 -3.812 3.363 258 HB THR 39 HB THR 39 74.925 -2.934 2.150 259 HG1 THR 39 HG1 THR 39 76.684 -3.829 2.943 260 1HG2 THR 39 HG23 THR 39 74.079 -1.796 4.779 261 2HG2 THR 39 HG22 THR 39 75.440 -1.037 3.952 262 3HG2 THR 39 HG21 THR 39 73.870 -1.142 3.153 263 H LYS 40 HN LYS 40 75.318 -5.954 4.759 264 HA LYS 40 HA LYS 40 76.126 -7.423 2.474 265 1HB LYS 40 HB2 LYS 40 76.662 -9.222 4.000 266 2HB LYS 40 HB1 LYS 40 77.024 -7.700 4.817 267 1HG LYS 40 HG2 LYS 40 74.723 -7.814 5.858 268 2HG LYS 40 HG1 LYS 40 74.577 -9.443 5.195 269 1HD LYS 40 HD2 LYS 40 75.410 -9.864 7.341 270 2HD LYS 40 HD1 LYS 40 76.883 -9.846 6.370 271 1HE LYS 40 HE2 LYS 40 76.741 -7.227 6.944 272 2HE LYS 40 HE1 LYS 40 75.899 -7.858 8.359 273 1HZ LYS 40 HZ2 LYS 40 77.772 -9.322 8.779 274 2HZ LYS 40 HZ1 LYS 40 78.584 -8.710 7.417 275 3HZ LYS 40 HZ3 LYS 40 78.277 -7.700 8.745 276 H ALA 41 HN ALA 41 73.290 -7.893 4.596 277 HA ALA 41 HA ALA 41 72.263 -10.094 2.997 278 1HB ALA 41 HB3 ALA 41 71.764 -9.426 5.502 279 2HB ALA 41 HB2 ALA 41 70.512 -8.421 4.772 280 3HB ALA 41 HB1 ALA 41 70.500 -10.166 4.520 281 H LEU 42 HN LEU 42 72.139 -6.646 2.806 282 HA LEU 42 HA LEU 42 69.698 -6.214 1.455 283 1HB LEU 42 HB2 LEU 42 71.973 -4.698 2.056 284 2HB LEU 42 HB1 LEU 42 71.873 -4.661 0.297 285 HG LEU 42 HG LEU 42 69.614 -3.819 0.366 286 1HD1 LEU 42 HD12 LEU 42 69.586 -5.080 2.917 287 2HD1 LEU 42 HD11 LEU 42 69.267 -3.367 3.184 288 3HD1 LEU 42 HD13 LEU 42 68.243 -4.295 2.089 289 1HD2 LEU 42 HD21 LEU 42 71.710 -2.338 1.027 290 2HD2 LEU 42 HD23 LEU 42 70.079 -1.675 1.117 291 3HD2 LEU 42 HD22 LEU 42 70.879 -2.250 2.581 292 H GLY 43 HN GLY 43 72.778 -7.465 0.250 293 1HA GLY 43 HA2 GLY 43 72.323 -7.312 -2.521 294 2HA GLY 43 HA1 GLY 43 73.228 -8.617 -1.752 295 H THR 44 HN THR 44 71.286 -9.848 -0.237 296 HA THR 44 HA THR 44 69.802 -11.299 -2.274 297 HB THR 44 HB THR 44 69.788 -11.454 0.752 298 HG1 THR 44 HG1 THR 44 70.938 -13.382 0.282 299 1HG2 THR 44 HG23 THR 44 68.034 -12.650 -1.269 300 2HG2 THR 44 HG22 THR 44 68.803 -13.844 -0.223 301 3HG2 THR 44 HG21 THR 44 67.829 -12.552 0.480 302 H VAL 45 HN VAL 45 69.131 -8.637 -0.125 303 HA VAL 45 HA VAL 45 66.268 -8.899 -0.059 304 HB VAL 45 HB VAL 45 68.018 -6.430 0.176 305 1HG1 VAL 45 HG12 VAL 45 65.489 -6.176 -0.388 306 2HG1 VAL 45 HG11 VAL 45 65.222 -6.749 1.259 307 3HG1 VAL 45 HG13 VAL 45 66.134 -5.266 0.978 308 1HG2 VAL 45 HG22 VAL 45 67.011 -8.512 2.099 309 2HG2 VAL 45 HG21 VAL 45 68.615 -7.791 1.984 310 3HG2 VAL 45 HG23 VAL 45 67.279 -6.863 2.664 311 H MET 46 HN MET 46 68.499 -7.311 -2.308 312 HA MET 46 HA MET 46 66.485 -5.982 -3.863 313 1HB MET 46 HB2 MET 46 69.191 -6.988 -4.793 314 2HB MET 46 HB1 MET 46 68.225 -5.717 -5.544 315 1HG MET 46 HG2 MET 46 69.499 -5.650 -2.796 316 2HG MET 46 HG1 MET 46 69.931 -4.659 -4.190 317 1HE MET 46 HE2 MET 46 69.180 -2.705 -4.786 318 2HE MET 46 HE1 MET 46 67.626 -3.185 -5.459 319 3HE MET 46 HE3 MET 46 67.721 -1.828 -4.329 320 H ARG 47 HN ARG 47 67.810 -9.247 -3.920 321 HA ARG 47 HA ARG 47 66.599 -9.953 -6.467 322 1HB ARG 47 HB2 ARG 47 68.573 -11.080 -5.073 323 2HB ARG 47 HB1 ARG 47 67.241 -12.031 -4.415 324 1HG ARG 47 HG2 ARG 47 66.590 -12.782 -6.609 325 2HG ARG 47 HG1 ARG 47 67.708 -11.660 -7.384 326 1HD ARG 47 HD2 ARG 47 68.538 -13.929 -5.551 327 2HD ARG 47 HD1 ARG 47 68.601 -13.986 -7.312 328 HE ARG 47 HE ARG 47 70.124 -11.840 -6.939 329 1HH1 ARG 47 HH11 ARG 47 70.269 -15.036 -5.806 330 2HH1 ARG 47 HH12 ARG 47 71.740 -14.822 -4.916 331 1HH2 ARG 47 HH21 ARG 47 71.879 -11.400 -5.461 332 2HH2 ARG 47 HH22 ARG 47 72.652 -12.763 -4.722 333 H MET 48 HN MET 48 65.590 -9.997 -3.109 334 HA MET 48 HA MET 48 63.321 -11.753 -3.502 335 1HB MET 48 HB2 MET 48 63.701 -9.656 -1.347 336 2HB MET 48 HB1 MET 48 62.649 -11.071 -1.277 337 1HG MET 48 HG2 MET 48 65.504 -11.611 -1.876 338 2HG MET 48 HG1 MET 48 65.153 -11.043 -0.245 339 1HE MET 48 HE2 MET 48 63.807 -11.742 1.220 340 2HE MET 48 HE1 MET 48 62.673 -13.090 1.220 341 3HE MET 48 HE3 MET 48 64.356 -13.343 1.703 342 H LEU 49 HN LEU 49 63.463 -8.209 -2.936 343 HA LEU 49 HA LEU 49 60.730 -7.740 -3.577 344 1HB LEU 49 HB2 LEU 49 62.834 -5.695 -4.223 345 2HB LEU 49 HB1 LEU 49 61.240 -5.462 -3.505 346 HG LEU 49 HG LEU 49 63.749 -6.510 -2.197 347 1HD1 LEU 49 HD11 LEU 49 62.520 -4.018 -2.291 348 2HD1 LEU 49 HD13 LEU 49 61.991 -4.683 -0.745 349 3HD1 LEU 49 HD12 LEU 49 63.713 -4.535 -1.099 350 1HD2 LEU 49 HD21 LEU 49 60.875 -7.020 -1.494 351 2HD2 LEU 49 HD23 LEU 49 62.265 -8.096 -1.351 352 3HD2 LEU 49 HD22 LEU 49 62.044 -6.784 -0.194 353 H GLY 50 HN GLY 50 63.621 -7.286 -5.650 354 1HA GLY 50 HA2 GLY 50 62.864 -8.491 -7.965 355 2HA GLY 50 HA1 GLY 50 61.898 -7.016 -8.019 356 H GLN 51 HN GLN 51 65.165 -8.301 -8.114 357 HA GLN 51 HA GLN 51 66.160 -6.294 -9.834 358 1HB GLN 51 HB2 GLN 51 65.764 -5.186 -7.355 359 2HB GLN 51 HB1 GLN 51 67.448 -5.703 -7.246 360 1HG GLN 51 HG2 GLN 51 67.929 -3.773 -8.330 361 2HG GLN 51 HG1 GLN 51 67.327 -4.594 -9.772 362 1HE2 GLN 51 HE22 GLN 51 65.080 -1.662 -8.029 363 2HE2 GLN 51 HE21 GLN 51 66.478 -2.240 -7.259 364 H ASN 52 HN ASN 52 68.010 -7.137 -10.690 365 HA ASN 52 HA ASN 52 69.722 -8.852 -8.963 366 1HB ASN 52 HB2 ASN 52 69.141 -9.733 -11.773 367 2HB ASN 52 HB1 ASN 52 69.648 -10.696 -10.385 368 1HD2 ASN 52 HD22 ASN 52 66.343 -11.531 -9.539 369 2HD2 ASN 52 HD21 ASN 52 67.997 -11.897 -9.437 370 HA PRO 53 HA PRO 53 72.030 -5.916 -11.737 371 1HB PRO 53 HB2 PRO 53 73.146 -4.429 -9.712 372 2HB PRO 53 HB1 PRO 53 71.598 -4.033 -10.478 373 1HG PRO 53 HG2 PRO 53 72.112 -5.220 -7.790 374 2HG PRO 53 HG1 PRO 53 70.735 -4.254 -8.346 375 1HD PRO 53 HD2 PRO 53 70.768 -7.068 -8.028 376 2HD PRO 53 HD1 PRO 53 69.528 -6.127 -8.885 377 H THR 54 HN THR 54 74.570 -5.274 -11.110 378 HA THR 54 HA THR 54 75.846 -7.899 -10.724 379 HB THR 54 HB THR 54 77.934 -6.233 -11.034 380 HG1 THR 54 HG1 THR 54 75.913 -4.946 -12.507 381 1HG2 THR 54 HG22 THR 54 76.847 -8.116 -12.535 382 2HG2 THR 54 HG21 THR 54 76.257 -6.739 -13.466 383 3HG2 THR 54 HG23 THR 54 77.989 -6.970 -13.237 384 H LYS 55 HN LYS 55 77.221 -8.415 -8.996 385 HA LYS 55 HA LYS 55 76.667 -7.401 -6.441 386 1HB LYS 55 HB2 LYS 55 78.042 -9.502 -7.190 387 2HB LYS 55 HB1 LYS 55 79.424 -8.408 -7.099 388 1HG LYS 55 HG2 LYS 55 78.982 -7.925 -4.777 389 2HG LYS 55 HG1 LYS 55 77.448 -8.793 -4.836 390 1HD LYS 55 HD2 LYS 55 78.826 -10.856 -5.504 391 2HD LYS 55 HD1 LYS 55 80.239 -9.936 -4.985 392 1HE LYS 55 HE2 LYS 55 79.737 -10.187 -2.790 393 2HE LYS 55 HE1 LYS 55 78.023 -9.861 -3.057 394 1HZ LYS 55 HZ2 LYS 55 79.198 -12.404 -3.960 395 2HZ LYS 55 HZ1 LYS 55 78.766 -12.206 -2.328 396 3HZ LYS 55 HZ3 LYS 55 77.590 -12.053 -3.542 397 H GLU 56 HN GLU 56 79.173 -6.373 -8.742 398 HA GLU 56 HA GLU 56 80.485 -4.521 -6.998 399 1HB GLU 56 HB2 GLU 56 80.605 -5.269 -9.775 400 2HB GLU 56 HB1 GLU 56 80.597 -3.509 -9.648 401 1HG GLU 56 HG2 GLU 56 82.374 -5.156 -7.858 402 2HG GLU 56 HG1 GLU 56 82.883 -4.756 -9.500 403 H GLU 57 HN GLU 57 77.679 -4.203 -9.140 404 HA GLU 57 HA GLU 57 77.403 -1.364 -8.927 405 1HB GLU 57 HB2 GLU 57 75.713 -3.635 -9.785 406 2HB GLU 57 HB1 GLU 57 74.826 -2.220 -9.214 407 1HG GLU 57 HG2 GLU 57 76.959 -1.285 -10.856 408 2HG GLU 57 HG1 GLU 57 76.150 -2.588 -11.728 409 H LEU 58 HN LEU 58 76.276 -4.028 -6.884 410 HA LEU 58 HA LEU 58 74.579 -2.452 -5.194 411 1HB LEU 58 HB2 LEU 58 75.125 -5.117 -5.401 412 2HB LEU 58 HB1 LEU 58 76.012 -4.710 -3.931 413 HG LEU 58 HG LEU 58 73.282 -3.568 -4.157 414 1HD1 LEU 58 HD13 LEU 58 72.946 -5.848 -5.046 415 2HD1 LEU 58 HD12 LEU 58 73.768 -6.517 -3.637 416 3HD1 LEU 58 HD11 LEU 58 72.226 -5.681 -3.444 417 1HD2 LEU 58 HD23 LEU 58 75.266 -4.217 -2.156 418 2HD2 LEU 58 HD22 LEU 58 73.817 -3.226 -1.993 419 3HD2 LEU 58 HD21 LEU 58 73.726 -4.968 -1.742 420 H ASP 59 HN ASP 59 78.037 -3.268 -5.027 421 HA ASP 59 HA ASP 59 78.625 -2.219 -2.477 422 1HB ASP 59 HB2 ASP 59 80.100 -2.995 -4.814 423 2HB ASP 59 HB1 ASP 59 80.741 -1.461 -4.225 424 H ALA 60 HN ALA 60 78.657 -0.504 -5.619 425 HA ALA 60 HA ALA 60 79.248 2.070 -4.543 426 1HB ALA 60 HB2 ALA 60 78.834 1.034 -7.074 427 2HB ALA 60 HB1 ALA 60 77.439 2.092 -6.857 428 3HB ALA 60 HB3 ALA 60 79.072 2.742 -6.703 429 H ILE 61 HN ILE 61 76.230 0.286 -4.893 430 HA ILE 61 HA ILE 61 74.413 2.420 -4.381 431 HB ILE 61 HB ILE 61 74.303 -0.563 -3.920 432 1HG1 ILE 61 HG12 ILE 61 72.800 1.346 -5.741 433 2HG1 ILE 61 HG11 ILE 61 74.130 0.293 -6.228 434 1HG2 ILE 61 HG21 ILE 61 72.272 1.538 -3.146 435 2HG2 ILE 61 HG23 ILE 61 71.809 -0.130 -3.482 436 3HG2 ILE 61 HG22 ILE 61 72.915 0.228 -2.156 437 1HD1 ILE 61 HD12 ILE 61 72.376 -1.438 -4.945 438 2HD1 ILE 61 HD11 ILE 61 71.305 -0.351 -5.827 439 3HD1 ILE 61 HD13 ILE 61 72.549 -1.257 -6.690 440 H ILE 62 HN ILE 62 76.090 0.195 -2.157 441 HA ILE 62 HA ILE 62 74.922 1.212 0.245 442 HB ILE 62 HB ILE 62 77.506 -0.236 -0.353 443 1HG1 ILE 62 HG12 ILE 62 75.372 -1.275 1.442 444 2HG1 ILE 62 HG11 ILE 62 74.969 -1.154 -0.270 445 1HG2 ILE 62 HG21 ILE 62 76.843 1.302 2.009 446 2HG2 ILE 62 HG23 ILE 62 76.964 -0.412 2.407 447 3HG2 ILE 62 HG22 ILE 62 78.321 0.414 1.641 448 1HD1 ILE 62 HD11 ILE 62 77.636 -2.262 0.144 449 2HD1 ILE 62 HD13 ILE 62 76.389 -3.230 0.930 450 3HD1 ILE 62 HD12 ILE 62 76.291 -2.905 -0.799 451 H GLU 63 HN GLU 63 77.766 2.215 -1.623 452 HA GLU 63 HA GLU 63 78.754 4.085 0.324 453 1HB GLU 63 HB2 GLU 63 79.169 3.652 -2.615 454 2HB GLU 63 HB1 GLU 63 79.770 5.135 -1.872 455 1HG GLU 63 HG2 GLU 63 80.354 2.576 -0.458 456 2HG GLU 63 HG1 GLU 63 81.241 2.892 -1.950 457 H GLU 64 HN GLU 64 75.982 4.161 -1.655 458 HA GLU 64 HA GLU 64 75.879 7.142 -1.540 459 1HB GLU 64 HB2 GLU 64 74.322 5.133 -3.189 460 2HB GLU 64 HB1 GLU 64 73.958 6.858 -3.153 461 1HG GLU 64 HG2 GLU 64 76.193 7.388 -3.977 462 2HG GLU 64 HG1 GLU 64 76.646 5.684 -3.920 463 H VAL 65 HN VAL 65 74.334 4.226 -0.366 464 HA VAL 65 HA VAL 65 71.982 5.659 0.643 465 HB VAL 65 HB VAL 65 72.934 2.853 1.291 466 1HG1 VAL 65 HG12 VAL 65 70.917 4.385 2.435 467 2HG1 VAL 65 HG11 VAL 65 70.066 3.424 1.224 468 3HG1 VAL 65 HG13 VAL 65 71.020 2.624 2.473 469 1HG2 VAL 65 HG21 VAL 65 71.627 4.035 -1.088 470 2HG2 VAL 65 HG23 VAL 65 72.557 2.544 -0.939 471 3HG2 VAL 65 HG22 VAL 65 70.861 2.577 -0.459 472 H ASP 66 HN ASP 66 74.992 4.329 1.972 473 HA ASP 66 HA ASP 66 74.313 5.026 4.714 474 1HB ASP 66 HB2 ASP 66 76.426 3.621 3.350 475 2HB ASP 66 HB1 ASP 66 77.127 4.821 4.438 476 H GLU 67 HN GLU 67 73.713 7.304 4.317 477 HA GLU 67 HA GLU 67 75.604 9.226 3.324 478 1HB GLU 67 HB2 GLU 67 74.114 10.903 4.351 479 2HB GLU 67 HB1 GLU 67 73.181 9.692 3.472 480 1HG GLU 67 HG2 GLU 67 73.081 8.455 5.770 481 2HG GLU 67 HG1 GLU 67 73.505 10.029 6.445 482 H ASP 68 HN ASP 68 74.764 8.168 6.624 483 HA ASP 68 HA ASP 68 76.829 9.891 7.796 484 1HB ASP 68 HB2 ASP 68 76.191 8.547 9.903 485 2HB ASP 68 HB1 ASP 68 74.936 9.563 9.191 486 H GLY 69 HN GLY 69 76.849 6.937 6.206 487 1HA GLY 69 HA2 GLY 69 78.459 5.239 6.032 488 2HA GLY 69 HA1 GLY 69 79.599 6.432 6.658 489 H SER 70 HN SER 70 76.732 5.170 8.322 490 HA SER 70 HA SER 70 78.320 4.597 10.696 491 1HB SER 70 HB2 SER 70 76.084 3.593 11.482 492 2HB SER 70 HB1 SER 70 76.094 5.316 11.115 493 HG SER 70 HG SER 70 74.741 3.281 9.924 494 H GLY 71 HN GLY 71 77.227 2.801 7.924 495 1HA GLY 71 HA2 GLY 71 78.203 0.682 7.297 496 2HA GLY 71 HA1 GLY 71 78.629 0.410 8.988 497 H THR 72 HN THR 72 75.481 1.618 8.654 498 HA THR 72 HA THR 72 74.281 -1.096 8.480 499 HB THR 72 HB THR 72 72.791 -0.228 10.492 500 HG1 THR 72 HG1 THR 72 74.515 0.821 11.912 501 1HG2 THR 72 HG21 THR 72 75.320 -1.722 10.335 502 2HG2 THR 72 HG23 THR 72 74.952 -1.100 11.944 503 3HG2 THR 72 HG22 THR 72 73.803 -2.156 11.122 504 H ILE 73 HN ILE 73 72.188 -1.066 7.613 505 HA ILE 73 HA ILE 73 71.291 1.590 6.601 506 HB ILE 73 HB ILE 73 70.443 -1.190 5.741 507 1HG1 ILE 73 HG12 ILE 73 72.888 -0.460 5.326 508 2HG1 ILE 73 HG11 ILE 73 71.961 -1.002 3.928 509 1HG2 ILE 73 HG21 ILE 73 69.748 1.595 4.872 510 2HG2 ILE 73 HG23 ILE 73 69.765 0.300 3.676 511 3HG2 ILE 73 HG22 ILE 73 68.696 0.195 5.074 512 1HD1 ILE 73 HD12 ILE 73 71.655 1.866 4.456 513 2HD1 ILE 73 HD11 ILE 73 73.323 1.403 4.114 514 3HD1 ILE 73 HD13 ILE 73 72.050 1.038 2.949 515 H ASP 74 HN ASP 74 69.307 2.405 7.203 516 HA ASP 74 HA ASP 74 67.713 0.745 9.113 517 1HB ASP 74 HB2 ASP 74 68.659 3.490 9.213 518 2HB ASP 74 HB1 ASP 74 66.902 3.424 9.352 519 H PHE 75 HN PHE 75 65.367 0.927 8.922 520 HA PHE 75 HA PHE 75 64.256 0.570 6.438 521 1HB PHE 75 HB2 PHE 75 63.099 0.425 8.708 522 2HB PHE 75 HB1 PHE 75 62.821 2.162 8.570 523 HD1 PHE 75 HD2 PHE 75 62.757 -0.589 6.037 524 HD2 PHE 75 HD1 PHE 75 60.569 2.515 8.037 525 HE1 PHE 75 HE2 PHE 75 60.804 -1.019 4.565 526 HE2 PHE 75 HE1 PHE 75 58.616 2.087 6.568 527 HZ PHE 75 HZ PHE 75 58.733 0.320 4.831 528 H GLU 76 HN GLU 76 64.916 3.705 7.968 529 HA GLU 76 HA GLU 76 63.575 5.302 6.000 530 1HB GLU 76 HB2 GLU 76 65.902 5.930 7.837 531 2HB GLU 76 HB1 GLU 76 65.076 7.136 6.850 532 1HG GLU 76 HG2 GLU 76 63.049 5.678 8.186 533 2HG GLU 76 HG1 GLU 76 64.281 6.041 9.396 534 H GLU 77 HN GLU 77 66.998 4.302 6.289 535 HA GLU 77 HA GLU 77 67.728 5.585 3.784 536 1HB GLU 77 HB2 GLU 77 69.170 3.487 5.431 537 2HB GLU 77 HB1 GLU 77 69.874 4.373 4.079 538 1HG GLU 77 HG2 GLU 77 69.529 6.496 5.259 539 2HG GLU 77 HG1 GLU 77 68.761 5.643 6.598 540 H PHE 78 HN PHE 78 66.131 2.674 4.551 541 HA PHE 78 HA PHE 78 67.114 1.034 2.398 542 1HB PHE 78 HB2 PHE 78 66.005 -0.296 3.910 543 2HB PHE 78 HB1 PHE 78 64.857 0.967 4.339 544 HD1 PHE 78 HD2 PHE 78 62.927 1.454 2.859 545 HD2 PHE 78 HD1 PHE 78 65.528 -1.890 2.174 546 HE1 PHE 78 HE2 PHE 78 61.224 0.438 1.364 547 HE2 PHE 78 HE1 PHE 78 63.830 -2.909 0.678 548 HZ PHE 78 HZ PHE 78 61.678 -1.745 0.274 549 H LEU 79 HN LEU 79 64.233 3.122 2.747 550 HA LEU 79 HA LEU 79 63.165 2.725 0.156 551 1HB LEU 79 HB2 LEU 79 63.155 5.303 1.756 552 2HB LEU 79 HB1 LEU 79 62.027 4.865 0.474 553 HG LEU 79 HG LEU 79 62.383 3.251 3.012 554 1HD1 LEU 79 HD11 LEU 79 60.644 5.595 2.347 555 2HD1 LEU 79 HD13 LEU 79 59.964 4.303 3.337 556 3HD1 LEU 79 HD12 LEU 79 61.403 5.164 3.879 557 1HD2 LEU 79 HD23 LEU 79 61.436 2.277 0.776 558 2HD2 LEU 79 HD22 LEU 79 60.543 1.992 2.270 559 3HD2 LEU 79 HD21 LEU 79 60.014 3.249 1.152 560 H VAL 80 HN VAL 80 65.880 4.653 1.250 561 HA VAL 80 HA VAL 80 66.173 6.329 -1.042 562 HB VAL 80 HB VAL 80 68.251 5.205 0.861 563 1HG1 VAL 80 HG11 VAL 80 68.569 6.600 -1.626 564 2HG1 VAL 80 HG13 VAL 80 69.050 7.673 -0.312 565 3HG1 VAL 80 HG12 VAL 80 69.816 6.094 -0.487 566 1HG2 VAL 80 HG21 VAL 80 66.325 7.426 0.932 567 2HG2 VAL 80 HG23 VAL 80 67.199 6.654 2.255 568 3HG2 VAL 80 HG22 VAL 80 67.979 7.914 1.299 569 H MET 81 HN MET 81 67.616 3.149 -0.287 570 HA MET 81 HA MET 81 69.125 2.846 -2.653 571 1HB MET 81 HB2 MET 81 68.904 1.320 -0.513 572 2HB MET 81 HB1 MET 81 67.682 0.491 -1.478 573 1HG MET 81 HG2 MET 81 69.242 -0.052 -3.185 574 2HG MET 81 HG1 MET 81 70.431 1.094 -2.569 575 1HE MET 81 HE1 MET 81 70.454 0.809 0.410 576 2HE MET 81 HE3 MET 81 71.691 -0.426 0.688 577 3HE MET 81 HE2 MET 81 71.920 0.788 -0.568 578 H MET 82 HN MET 82 65.710 2.080 -2.026 579 HA MET 82 HA MET 82 65.116 0.810 -4.488 580 1HB MET 82 HB2 MET 82 63.567 2.244 -2.395 581 2HB MET 82 HB1 MET 82 62.786 2.073 -3.967 582 1HG MET 82 HG2 MET 82 62.231 0.158 -2.545 583 2HG MET 82 HG1 MET 82 63.231 -0.367 -3.901 584 1HE MET 82 HE1 MET 82 65.098 -1.085 -4.045 585 2HE MET 82 HE3 MET 82 66.492 -0.940 -2.966 586 3HE MET 82 HE2 MET 82 65.444 -2.353 -2.872 587 H VAL 83 HN VAL 83 63.982 4.106 -3.771 588 HA VAL 83 HA VAL 83 63.679 4.857 -6.486 589 HB VAL 83 HB VAL 83 64.284 6.711 -4.167 590 1HG1 VAL 83 HG11 VAL 83 63.902 7.212 -6.893 591 2HG1 VAL 83 HG13 VAL 83 62.335 7.557 -6.160 592 3HG1 VAL 83 HG12 VAL 83 63.780 8.391 -5.588 593 1HG2 VAL 83 HG22 VAL 83 61.674 5.480 -5.105 594 2HG2 VAL 83 HG21 VAL 83 62.466 5.202 -3.554 595 3HG2 VAL 83 HG23 VAL 83 61.794 6.789 -3.928 596 H ARG 84 HN ARG 84 66.567 4.440 -4.708 597 HA ARG 84 HA ARG 84 68.226 6.456 -5.823 598 1HB ARG 84 HB2 ARG 84 69.003 5.073 -3.978 599 2HB ARG 84 HB1 ARG 84 68.890 3.622 -4.976 600 1HG ARG 84 HG2 ARG 84 70.902 4.008 -5.908 601 2HG ARG 84 HG1 ARG 84 70.478 5.681 -6.271 602 1HD ARG 84 HD2 ARG 84 70.905 5.211 -3.411 603 2HD ARG 84 HD1 ARG 84 72.338 4.878 -4.384 604 HE ARG 84 HE ARG 84 72.543 7.230 -4.355 605 1HH1 ARG 84 HH21 ARG 84 71.061 7.674 -6.754 606 2HH1 ARG 84 HH22 ARG 84 69.705 8.633 -6.267 607 1HH2 ARG 84 HH11 ARG 84 70.024 7.853 -2.903 608 2HH2 ARG 84 HH12 ARG 84 69.117 8.737 -4.086 609 H GLN 85 HN GLN 85 67.565 3.137 -6.988 610 HA GLN 85 HA GLN 85 68.812 3.914 -9.587 611 1HB GLN 85 HB2 GLN 85 68.772 1.425 -10.027 612 2HB GLN 85 HB1 GLN 85 69.787 1.904 -8.668 613 1HG GLN 85 HG2 GLN 85 67.071 1.466 -7.776 614 2HG GLN 85 HG1 GLN 85 67.673 0.043 -8.627 615 1HE2 GLN 85 HE22 GLN 85 70.056 1.252 -5.504 616 2HE2 GLN 85 HE21 GLN 85 69.497 2.405 -6.618 617 H MET 86 HN MET 86 65.805 3.417 -8.075 618 HA MET 86 HA MET 86 64.293 2.348 -10.267 619 1HB MET 86 HB2 MET 86 63.769 3.384 -7.634 620 2HB MET 86 HB1 MET 86 62.639 4.113 -8.778 621 1HG MET 86 HG2 MET 86 62.967 1.294 -9.345 622 2HG MET 86 HG1 MET 86 62.488 1.529 -7.664 623 1HE MET 86 HE1 MET 86 60.681 2.080 -6.798 624 2HE MET 86 HE3 MET 86 60.162 3.690 -7.318 625 3HE MET 86 HE2 MET 86 59.086 2.307 -7.512 626 H LYS 87 HN LYS 87 65.336 5.607 -9.425 627 HA LYS 87 HA LYS 87 63.781 6.732 -11.688 628 1HB LYS 87 HB2 LYS 87 64.646 7.734 -9.174 629 2HB LYS 87 HB1 LYS 87 65.498 8.656 -10.412 630 1HG LYS 87 HG2 LYS 87 63.508 9.429 -11.389 631 2HG LYS 87 HG1 LYS 87 62.544 8.139 -10.668 632 1HD LYS 87 HD2 LYS 87 62.665 9.131 -8.498 633 2HD LYS 87 HD1 LYS 87 63.932 10.247 -9.002 634 1HE LYS 87 HE2 LYS 87 62.344 11.340 -10.554 635 2HE LYS 87 HE1 LYS 87 61.075 10.238 -10.020 636 1HZ LYS 87 HZ2 LYS 87 61.623 11.088 -7.700 637 2HZ LYS 87 HZ1 LYS 87 62.441 12.358 -8.480 638 3HZ LYS 87 HZ3 LYS 87 60.779 12.139 -8.734 639 H GLU 88 HN GLU 88 65.555 5.075 -12.781 640 HA GLU 88 HA GLU 88 67.489 4.892 -14.111 641 1HB GLU 88 HB2 GLU 88 66.967 7.843 -14.571 642 2HB GLU 88 HB1 GLU 88 67.746 6.707 -15.675 643 1HG GLU 88 HG2 GLU 88 65.366 5.442 -15.230 644 2HG GLU 88 HG1 GLU 88 64.872 7.134 -15.131 645 H ASP 89 HN ASP 89 69.269 7.223 -14.639 646 HA ASP 89 HA ASP 89 70.388 7.905 -12.009 647 1HB ASP 89 HB2 ASP 89 71.261 5.558 -13.231 648 2HB ASP 89 HB1 ASP 89 72.490 6.744 -13.671 649 H ALA 90 HN ALA 90 69.337 9.562 -14.005 650 HA ALA 90 HA ALA 90 71.477 10.578 -15.706 651 1HB ALA 90 HB2 ALA 90 68.679 10.867 -15.577 652 2HB ALA 90 HB1 ALA 90 69.332 12.474 -15.255 653 3HB ALA 90 HB3 ALA 90 69.769 11.625 -16.738 No H/Q in entry = 653 Start of MODEL 10 1 1H ALA 1 HT3 ALA 1 62.135 16.053 11.693 2 2H ALA 1 HT2 ALA 1 60.764 16.435 12.622 3 3H ALA 1 HT1 ALA 1 60.590 15.960 11.000 4 HA ALA 1 HA ALA 1 60.314 18.278 10.988 5 1HB ALA 1 HB1 ALA 1 62.634 18.166 12.903 6 2HB ALA 1 HB3 ALA 1 62.310 19.642 11.993 7 3HB ALA 1 HB2 ALA 1 61.087 18.991 13.084 8 H SER 2 HN SER 2 63.842 18.056 11.163 9 HA SER 2 HA SER 2 63.988 18.736 8.301 10 1HB SER 2 HB2 SER 2 66.453 18.134 9.860 11 2HB SER 2 HB1 SER 2 66.129 19.448 8.733 12 HG SER 2 HG SER 2 64.755 20.343 10.371 13 H MET 3 HN MET 3 65.452 17.467 6.859 14 HA MET 3 HA MET 3 66.172 14.750 7.600 15 1HB MET 3 HB2 MET 3 64.613 13.564 6.178 16 2HB MET 3 HB1 MET 3 63.677 14.584 7.272 17 1HG MET 3 HG2 MET 3 63.618 16.338 5.463 18 2HG MET 3 HG1 MET 3 64.364 15.165 4.377 19 1HE MET 3 HE2 MET 3 61.618 15.607 7.014 20 2HE MET 3 HE1 MET 3 61.136 16.621 5.657 21 3HE MET 3 HE3 MET 3 60.147 15.230 6.121 22 H THR 4 HN THR 4 67.737 14.007 6.192 23 HA THR 4 HA THR 4 69.074 15.702 4.425 24 HB THR 4 HB THR 4 69.965 13.596 3.360 25 HG1 THR 4 HG1 THR 4 69.062 11.727 3.821 26 1HG2 THR 4 HG23 THR 4 69.821 13.721 6.383 27 2HG2 THR 4 HG22 THR 4 70.962 12.721 5.483 28 3HG2 THR 4 HG21 THR 4 71.036 14.479 5.355 29 H ASP 5 HN ASP 5 69.110 15.789 2.064 30 HA ASP 5 HA ASP 5 66.469 15.954 0.916 31 1HB ASP 5 HB2 ASP 5 69.195 15.998 -0.420 32 2HB ASP 5 HB1 ASP 5 67.676 16.454 -1.195 33 H GLN 6 HN GLN 6 69.034 13.532 0.830 34 HA GLN 6 HA GLN 6 68.080 11.942 -1.315 35 1HB GLN 6 HB2 GLN 6 69.439 11.058 1.250 36 2HB GLN 6 HB1 GLN 6 69.277 10.073 -0.205 37 1HG GLN 6 HG2 GLN 6 70.674 11.525 -1.471 38 2HG GLN 6 HG1 GLN 6 70.581 12.800 -0.254 39 1HE2 GLN 6 HE22 GLN 6 72.749 9.502 0.907 40 2HE2 GLN 6 HE21 GLN 6 71.243 9.282 0.158 41 H GLN 7 HN GLN 7 67.219 11.880 2.145 42 HA GLN 7 HA GLN 7 65.310 9.709 1.790 43 1HB GLN 7 HB2 GLN 7 65.729 11.682 4.056 44 2HB GLN 7 HB1 GLN 7 64.620 10.313 4.121 45 1HG GLN 7 HG2 GLN 7 66.446 8.744 3.816 46 2HG GLN 7 HG1 GLN 7 67.587 10.064 3.558 47 1HE2 GLN 7 HE22 GLN 7 67.757 8.958 7.157 48 2HE2 GLN 7 HE21 GLN 7 67.941 8.147 5.676 49 H ALA 8 HN ALA 8 65.262 13.081 1.212 50 HA ALA 8 HA ALA 8 62.453 13.559 1.705 51 1HB ALA 8 HB1 ALA 8 64.585 14.987 0.118 52 2HB ALA 8 HB3 ALA 8 62.905 15.524 0.079 53 3HB ALA 8 HB2 ALA 8 63.789 15.505 1.605 54 H GLU 9 HN GLU 9 64.193 13.378 -1.425 55 HA GLU 9 HA GLU 9 61.812 13.007 -2.964 56 1HB GLU 9 HB2 GLU 9 64.740 12.672 -3.444 57 2HB GLU 9 HB1 GLU 9 63.632 11.916 -4.588 58 1HG GLU 9 HG2 GLU 9 63.850 14.032 -5.531 59 2HG GLU 9 HG1 GLU 9 62.435 14.272 -4.506 60 H ALA 10 HN ALA 10 63.560 10.856 -0.946 61 HA ALA 10 HA ALA 10 62.974 8.379 -2.284 62 1HB ALA 10 HB1 ALA 10 64.618 8.797 -0.341 63 2HB ALA 10 HB3 ALA 10 63.205 8.701 0.711 64 3HB ALA 10 HB2 ALA 10 63.665 7.314 -0.277 65 H ARG 11 HN ARG 11 61.445 9.713 0.674 66 HA ARG 11 HA ARG 11 59.151 7.979 0.447 67 1HB ARG 11 HB2 ARG 11 59.796 10.425 2.082 68 2HB ARG 11 HB1 ARG 11 58.174 9.733 2.107 69 1HG ARG 11 HG2 ARG 11 58.837 8.021 3.418 70 2HG ARG 11 HG1 ARG 11 60.220 7.678 2.380 71 1HD ARG 11 HD2 ARG 11 61.100 8.300 4.531 72 2HD ARG 11 HD1 ARG 11 61.384 9.660 3.447 73 HE ARG 11 HE ARG 11 59.690 10.901 4.618 74 1HH1 ARG 11 HH11 ARG 11 57.570 9.046 5.186 75 2HH1 ARG 11 HH12 ARG 11 57.763 8.670 6.865 76 1HH2 ARG 11 HH21 ARG 11 61.030 9.822 7.022 77 2HH2 ARG 11 HH22 ARG 11 59.721 9.108 7.905 78 H ALA 12 HN ALA 12 59.969 11.102 -0.873 79 HA ALA 12 HA ALA 12 57.315 12.016 -1.460 80 1HB ALA 12 HB3 ALA 12 59.934 12.952 -1.870 81 2HB ALA 12 HB2 ALA 12 59.245 12.794 -3.484 82 3HB ALA 12 HB1 ALA 12 58.439 13.793 -2.275 83 H PHE 13 HN PHE 13 59.538 9.847 -3.139 84 HA PHE 13 HA PHE 13 57.744 9.640 -5.470 85 1HB PHE 13 HB2 PHE 13 60.277 9.540 -5.627 86 2HB PHE 13 HB1 PHE 13 60.189 7.966 -4.835 87 HD1 PHE 13 HD1 PHE 13 58.013 9.586 -7.423 88 HD2 PHE 13 HD2 PHE 13 60.609 6.312 -6.432 89 HE1 PHE 13 HE1 PHE 13 57.496 8.517 -9.601 90 HE2 PHE 13 HE2 PHE 13 60.094 5.243 -8.611 91 HZ PHE 13 HZ PHE 13 58.538 6.346 -10.195 92 H LEU 14 HN LEU 14 58.559 7.846 -2.559 93 HA LEU 14 HA LEU 14 56.888 5.558 -3.421 94 1HB LEU 14 HB2 LEU 14 58.405 5.976 -0.828 95 2HB LEU 14 HB1 LEU 14 57.695 4.464 -1.396 96 HG LEU 14 HG LEU 14 59.819 5.987 -2.925 97 1HD1 LEU 14 HD13 LEU 14 60.324 4.879 -0.537 98 2HD1 LEU 14 HD12 LEU 14 60.411 3.420 -1.525 99 3HD1 LEU 14 HD11 LEU 14 61.475 4.782 -1.869 100 1HD2 LEU 14 HD21 LEU 14 58.216 3.537 -3.341 101 2HD2 LEU 14 HD23 LEU 14 59.009 4.577 -4.525 102 3HD2 LEU 14 HD22 LEU 14 59.941 3.354 -3.659 103 H SER 15 HN SER 15 54.882 5.109 -2.522 104 HA SER 15 HA SER 15 53.729 7.253 -0.805 105 1HB SER 15 HB2 SER 15 52.392 5.074 -2.437 106 2HB SER 15 HB1 SER 15 51.539 6.280 -1.478 107 HG SER 15 HG SER 15 52.734 7.858 -2.777 108 H GLU 16 HN GLU 16 52.207 6.490 0.938 109 HA GLU 16 HA GLU 16 53.492 4.665 2.706 110 1HB GLU 16 HB2 GLU 16 50.789 5.960 2.601 111 2HB GLU 16 HB1 GLU 16 51.058 4.655 3.757 112 1HG GLU 16 HG2 GLU 16 51.860 6.310 5.096 113 2HG GLU 16 HG1 GLU 16 53.319 6.151 4.117 114 H GLU 17 HN GLU 17 51.325 4.123 0.060 115 HA GLU 17 HA GLU 17 50.281 1.575 0.913 116 1HB GLU 17 HB2 GLU 17 49.589 3.204 -1.074 117 2HB GLU 17 HB1 GLU 17 50.694 2.176 -1.988 118 1HG GLU 17 HG2 GLU 17 49.422 0.184 -0.996 119 2HG GLU 17 HG1 GLU 17 48.202 1.354 -0.489 120 H MET 18 HN MET 18 52.908 2.399 -1.382 121 HA MET 18 HA MET 18 53.778 -0.363 -1.586 122 1HB MET 18 HB2 MET 18 54.156 1.380 -3.358 123 2HB MET 18 HB1 MET 18 55.325 2.151 -2.283 124 1HG MET 18 HG2 MET 18 56.917 0.686 -2.894 125 2HG MET 18 HG1 MET 18 55.883 -0.671 -2.442 126 1HE MET 18 HE1 MET 18 58.064 -0.145 -4.473 127 2HE MET 18 HE3 MET 18 57.482 -1.721 -5.026 128 3HE MET 18 HE2 MET 18 57.626 -0.383 -6.163 129 H ILE 19 HN ILE 19 55.292 2.524 -0.090 130 HA ILE 19 HA ILE 19 57.487 1.353 1.126 131 HB ILE 19 HB ILE 19 55.606 3.402 2.339 132 1HG1 ILE 19 HG12 ILE 19 58.114 3.607 0.646 133 2HG1 ILE 19 HG11 ILE 19 56.495 4.167 0.225 134 1HG2 ILE 19 HG22 ILE 19 57.693 2.012 3.578 135 2HG2 ILE 19 HG21 ILE 19 58.414 3.547 3.099 136 3HG2 ILE 19 HG23 ILE 19 56.980 3.529 4.125 137 1HD1 ILE 19 HD11 ILE 19 58.179 5.228 2.514 138 2HD1 ILE 19 HD13 ILE 19 57.918 6.046 0.973 139 3HD1 ILE 19 HD12 ILE 19 56.567 5.791 2.077 140 H ALA 20 HN ALA 20 54.120 0.900 1.939 141 HA ALA 20 HA ALA 20 54.492 -0.186 4.571 142 1HB ALA 20 HB3 ALA 20 52.323 -0.268 2.510 143 2HB ALA 20 HB2 ALA 20 52.247 -1.411 3.851 144 3HB ALA 20 HB1 ALA 20 52.268 0.324 4.170 145 H GLU 21 HN GLU 21 54.139 -1.780 1.384 146 HA GLU 21 HA GLU 21 54.546 -4.430 2.404 147 1HB GLU 21 HB2 GLU 21 54.597 -5.127 0.153 148 2HB GLU 21 HB1 GLU 21 53.594 -3.677 0.106 149 1HG GLU 21 HG2 GLU 21 55.892 -2.456 -0.317 150 2HG GLU 21 HG1 GLU 21 56.419 -4.057 -0.838 151 H PHE 22 HN PHE 22 56.740 -1.861 1.493 152 HA PHE 22 HA PHE 22 59.093 -3.525 1.237 153 1HB PHE 22 HB2 PHE 22 58.606 -0.577 1.616 154 2HB PHE 22 HB1 PHE 22 60.241 -1.229 1.727 155 HD1 PHE 22 HD1 PHE 22 57.916 -3.007 -0.425 156 HD2 PHE 22 HD2 PHE 22 60.799 0.176 -0.297 157 HE1 PHE 22 HE1 PHE 22 58.070 -3.048 -2.899 158 HE2 PHE 22 HE2 PHE 22 60.952 0.134 -2.770 159 HZ PHE 22 HZ PHE 22 59.588 -1.477 -4.072 160 H LYS 23 HN LYS 23 57.443 -1.982 3.930 161 HA LYS 23 HA LYS 23 59.582 -2.191 5.835 162 1HB LYS 23 HB2 LYS 23 57.031 -1.138 5.858 163 2HB LYS 23 HB1 LYS 23 56.878 -2.533 6.928 164 1HG LYS 23 HG2 LYS 23 59.325 -0.926 7.327 165 2HG LYS 23 HG1 LYS 23 57.821 -0.098 7.728 166 1HD LYS 23 HD2 LYS 23 57.164 -2.029 9.151 167 2HD LYS 23 HD1 LYS 23 58.712 -2.795 8.791 168 1HE LYS 23 HE2 LYS 23 58.526 -1.421 10.984 169 2HE LYS 23 HE1 LYS 23 59.936 -1.152 9.958 170 1HZ LYS 23 HZ1 LYS 23 57.467 0.470 9.752 171 2HZ LYS 23 HZ3 LYS 23 58.762 0.898 10.760 172 3HZ LYS 23 HZ2 LYS 23 58.992 0.801 9.079 173 H ALA 24 HN ALA 24 57.481 -4.539 4.431 174 HA ALA 24 HA ALA 24 57.627 -6.471 6.595 175 1HB ALA 24 HB2 ALA 24 56.159 -6.242 4.250 176 2HB ALA 24 HB1 ALA 24 57.247 -7.588 3.915 177 3HB ALA 24 HB3 ALA 24 56.177 -7.647 5.315 178 H ALA 25 HN ALA 25 59.667 -5.607 3.894 179 HA ALA 25 HA ALA 25 61.216 -8.078 3.943 180 1HB ALA 25 HB2 ALA 25 61.136 -5.641 2.368 181 2HB ALA 25 HB1 ALA 25 62.795 -6.051 2.802 182 3HB ALA 25 HB3 ALA 25 61.794 -7.219 1.939 183 H PHE 26 HN PHE 26 62.296 -4.729 4.619 184 HA PHE 26 HA PHE 26 64.601 -5.427 6.066 185 1HB PHE 26 HB2 PHE 26 64.382 -3.151 5.481 186 2HB PHE 26 HB1 PHE 26 62.761 -3.037 6.164 187 HD1 PHE 26 HD2 PHE 26 62.440 -3.001 8.627 188 HD2 PHE 26 HD1 PHE 26 66.342 -2.879 6.844 189 HE1 PHE 26 HE2 PHE 26 63.394 -2.206 10.775 190 HE2 PHE 26 HE1 PHE 26 67.300 -2.080 8.989 191 HZ PHE 26 HZ PHE 26 65.825 -1.744 10.954 192 H ASP 27 HN ASP 27 61.251 -5.539 7.021 193 HA ASP 27 HA ASP 27 61.488 -5.490 9.840 194 1HB ASP 27 HB2 ASP 27 59.516 -6.349 7.888 195 2HB ASP 27 HB1 ASP 27 59.553 -7.436 9.277 196 H MET 28 HN MET 28 61.775 -8.256 7.596 197 HA MET 28 HA MET 28 62.397 -10.105 9.761 198 1HB MET 28 HB2 MET 28 62.789 -11.733 7.976 199 2HB MET 28 HB1 MET 28 61.296 -10.847 7.663 200 1HG MET 28 HG2 MET 28 62.285 -9.536 5.973 201 2HG MET 28 HG1 MET 28 63.920 -9.918 6.511 202 1HE MET 28 HE2 MET 28 61.174 -10.346 4.424 203 2HE MET 28 HE1 MET 28 62.519 -10.380 3.288 204 3HE MET 28 HE3 MET 28 61.420 -11.762 3.405 205 H PHE 29 HN PHE 29 64.234 -7.960 7.727 206 HA PHE 29 HA PHE 29 66.762 -9.369 8.341 207 1HB PHE 29 HB2 PHE 29 66.091 -6.948 6.657 208 2HB PHE 29 HB1 PHE 29 67.752 -7.435 6.990 209 HD1 PHE 29 HD1 PHE 29 65.893 -10.384 7.049 210 HD2 PHE 29 HD2 PHE 29 67.401 -7.467 4.267 211 HE1 PHE 29 HE1 PHE 29 65.766 -12.054 5.227 212 HE2 PHE 29 HE2 PHE 29 67.269 -9.149 2.450 213 HZ PHE 29 HZ PHE 29 66.454 -11.438 2.928 214 H ASP 30 HN ASP 30 64.804 -7.200 9.925 215 HA ASP 30 HA ASP 30 67.161 -6.034 11.355 216 1HB ASP 30 HB2 ASP 30 65.948 -4.027 11.748 217 2HB ASP 30 HB1 ASP 30 65.651 -4.413 10.052 218 H ALA 31 HN ALA 31 64.848 -8.330 11.605 219 HA ALA 31 HA ALA 31 63.904 -7.803 14.319 220 1HB ALA 31 HB1 ALA 31 63.272 -9.624 12.196 221 2HB ALA 31 HB3 ALA 31 63.602 -10.553 13.658 222 3HB ALA 31 HB2 ALA 31 62.361 -9.299 13.672 223 H ASP 32 HN ASP 32 66.930 -8.241 13.571 224 HA ASP 32 HA ASP 32 67.651 -10.640 15.041 225 1HB ASP 32 HB2 ASP 32 68.990 -8.679 13.426 226 2HB ASP 32 HB1 ASP 32 69.849 -8.841 14.958 227 H GLY 33 HN GLY 33 66.328 -7.842 16.127 228 1HA GLY 33 HA2 GLY 33 66.026 -7.454 18.509 229 2HA GLY 33 HA1 GLY 33 67.605 -8.187 18.792 230 H GLY 34 HN GLY 34 68.455 -6.500 16.292 231 1HA GLY 34 HA2 GLY 34 69.254 -4.152 17.912 232 2HA GLY 34 HA1 GLY 34 69.949 -4.617 16.358 233 H GLY 35 HN GLY 35 67.289 -4.999 15.119 234 1HA GLY 35 HA2 GLY 35 65.486 -3.701 14.255 235 2HA GLY 35 HA1 GLY 35 66.035 -2.338 15.232 236 H ASP 36 HN ASP 36 68.071 -4.225 13.039 237 HA ASP 36 HA ASP 36 67.946 -2.243 10.906 238 1HB ASP 36 HB2 ASP 36 70.325 -1.528 11.131 239 2HB ASP 36 HB1 ASP 36 69.336 -0.999 12.493 240 H ILE 37 HN ILE 37 69.587 -2.807 9.168 241 HA ILE 37 HA ILE 37 70.366 -5.687 9.336 242 HB ILE 37 HB ILE 37 68.580 -5.855 7.872 243 1HG1 ILE 37 HG12 ILE 37 70.885 -5.027 6.084 244 2HG1 ILE 37 HG11 ILE 37 70.515 -6.661 6.634 245 1HG2 ILE 37 HG21 ILE 37 68.019 -3.458 7.923 246 2HG2 ILE 37 HG23 ILE 37 69.318 -3.126 6.777 247 3HG2 ILE 37 HG22 ILE 37 67.925 -4.087 6.278 248 1HD1 ILE 37 HD11 ILE 37 68.219 -6.324 5.509 249 2HD1 ILE 37 HD13 ILE 37 68.960 -4.938 4.705 250 3HD1 ILE 37 HD12 ILE 37 69.609 -6.559 4.448 251 H SER 38 HN SER 38 72.047 -6.203 7.607 252 HA SER 38 HA SER 38 74.072 -4.025 7.627 253 1HB SER 38 HB2 SER 38 74.380 -6.954 6.902 254 2HB SER 38 HB1 SER 38 75.687 -5.788 7.088 255 HG SER 38 HG SER 38 75.526 -6.811 9.023 256 H THR 39 HN THR 39 75.254 -3.547 5.619 257 HA THR 39 HA THR 39 73.494 -3.373 3.339 258 HB THR 39 HB THR 39 75.240 -2.228 2.239 259 HG1 THR 39 HG1 THR 39 77.422 -2.438 3.357 260 1HG2 THR 39 HG23 THR 39 74.927 -1.786 5.125 261 2HG2 THR 39 HG22 THR 39 76.429 -1.134 4.472 262 3HG2 THR 39 HG21 THR 39 74.881 -0.628 3.797 263 H LYS 40 HN LYS 40 75.754 -5.745 4.447 264 HA LYS 40 HA LYS 40 76.330 -6.987 1.915 265 1HB LYS 40 HB2 LYS 40 77.128 -8.860 3.210 266 2HB LYS 40 HB1 LYS 40 77.565 -7.398 4.096 267 1HG LYS 40 HG2 LYS 40 75.630 -7.659 5.560 268 2HG LYS 40 HG1 LYS 40 75.087 -9.059 4.635 269 1HD LYS 40 HD2 LYS 40 77.461 -10.018 5.179 270 2HD LYS 40 HD1 LYS 40 77.456 -8.816 6.471 271 1HE LYS 40 HE2 LYS 40 75.661 -9.812 7.577 272 2HE LYS 40 HE1 LYS 40 75.072 -10.606 6.117 273 1HZ LYS 40 HZ2 LYS 40 77.713 -11.442 6.770 274 2HZ LYS 40 HZ1 LYS 40 76.648 -11.721 8.065 275 3HZ LYS 40 HZ3 LYS 40 76.314 -12.378 6.536 276 H ALA 41 HN ALA 41 73.627 -7.104 4.122 277 HA ALA 41 HA ALA 41 72.436 -9.438 2.763 278 1HB ALA 41 HB3 ALA 41 72.244 -8.969 5.274 279 2HB ALA 41 HB2 ALA 41 71.129 -7.672 4.843 280 3HB ALA 41 HB1 ALA 41 70.737 -9.343 4.438 281 H LEU 42 HN LEU 42 72.664 -6.167 2.139 282 HA LEU 42 HA LEU 42 69.995 -5.501 1.356 283 1HB LEU 42 HB2 LEU 42 72.724 -4.450 0.777 284 2HB LEU 42 HB1 LEU 42 71.435 -3.991 -0.337 285 HG LEU 42 HG LEU 42 71.727 -2.400 1.598 286 1HD1 LEU 42 HD11 LEU 42 69.506 -3.028 0.319 287 2HD1 LEU 42 HD13 LEU 42 69.050 -3.724 1.876 288 3HD1 LEU 42 HD12 LEU 42 69.440 -2.006 1.755 289 1HD2 LEU 42 HD22 LEU 42 71.959 -4.699 3.086 290 2HD2 LEU 42 HD21 LEU 42 71.617 -3.106 3.757 291 3HD2 LEU 42 HD23 LEU 42 70.294 -4.222 3.420 292 H GLY 43 HN GLY 43 72.740 -6.771 -0.568 293 1HA GLY 43 HA2 GLY 43 71.402 -6.972 -3.047 294 2HA GLY 43 HA1 GLY 43 72.704 -8.052 -2.542 295 H THR 44 HN THR 44 71.092 -8.850 -0.136 296 HA THR 44 HA THR 44 69.731 -11.112 -1.352 297 HB THR 44 HB THR 44 70.202 -10.118 1.444 298 HG1 THR 44 HG1 THR 44 70.839 -12.472 1.456 299 1HG2 THR 44 HG21 THR 44 67.966 -11.852 0.554 300 2HG2 THR 44 HG23 THR 44 68.895 -12.439 1.934 301 3HG2 THR 44 HG22 THR 44 68.114 -10.858 2.004 302 H VAL 45 HN VAL 45 68.734 -8.081 0.196 303 HA VAL 45 HA VAL 45 65.917 -8.659 0.219 304 HB VAL 45 HB VAL 45 67.187 -5.917 -0.013 305 1HG1 VAL 45 HG13 VAL 45 64.522 -6.791 0.136 306 2HG1 VAL 45 HG12 VAL 45 64.915 -6.236 1.764 307 3HG1 VAL 45 HG11 VAL 45 65.107 -5.147 0.390 308 1HG2 VAL 45 HG22 VAL 45 68.058 -7.579 1.842 309 2HG2 VAL 45 HG21 VAL 45 67.646 -5.922 2.277 310 3HG2 VAL 45 HG23 VAL 45 66.506 -7.227 2.600 311 H MET 46 HN MET 46 67.950 -6.802 -2.060 312 HA MET 46 HA MET 46 65.936 -6.099 -3.904 313 1HB MET 46 HB2 MET 46 68.843 -6.810 -4.388 314 2HB MET 46 HB1 MET 46 67.795 -6.072 -5.599 315 1HG MET 46 HG2 MET 46 67.952 -4.786 -2.904 316 2HG MET 46 HG1 MET 46 69.313 -4.576 -4.006 317 1HE MET 46 HE1 MET 46 69.542 -2.673 -5.095 318 2HE MET 46 HE3 MET 46 68.319 -1.468 -5.518 319 3HE MET 46 HE2 MET 46 68.653 -1.836 -3.827 320 H ARG 47 HN ARG 47 67.472 -9.187 -3.329 321 HA ARG 47 HA ARG 47 66.614 -10.386 -5.837 322 1HB ARG 47 HB2 ARG 47 67.763 -11.415 -3.255 323 2HB ARG 47 HB1 ARG 47 67.078 -12.548 -4.421 324 1HG ARG 47 HG2 ARG 47 68.588 -11.772 -6.151 325 2HG ARG 47 HG1 ARG 47 69.185 -10.480 -5.109 326 1HD ARG 47 HD2 ARG 47 70.497 -11.896 -3.871 327 2HD ARG 47 HD1 ARG 47 69.364 -13.241 -4.019 328 HE ARG 47 HE ARG 47 70.285 -13.670 -6.267 329 1HH1 ARG 47 HH11 ARG 47 72.336 -12.661 -3.861 330 2HH1 ARG 47 HH12 ARG 47 73.637 -12.187 -4.900 331 1HH2 ARG 47 HH21 ARG 47 71.777 -12.497 -7.810 332 2HH2 ARG 47 HH22 ARG 47 73.321 -12.094 -7.137 333 H MET 48 HN MET 48 65.313 -10.185 -2.548 334 HA MET 48 HA MET 48 63.138 -12.035 -3.032 335 1HB MET 48 HB2 MET 48 63.608 -9.906 -0.932 336 2HB MET 48 HB1 MET 48 62.175 -10.934 -0.947 337 1HG MET 48 HG2 MET 48 63.704 -12.937 -0.960 338 2HG MET 48 HG1 MET 48 65.059 -11.835 -0.722 339 1HE MET 48 HE1 MET 48 64.209 -9.638 0.971 340 2HE MET 48 HE3 MET 48 64.414 -10.175 2.644 341 3HE MET 48 HE2 MET 48 65.623 -10.583 1.430 342 H LEU 49 HN LEU 49 63.178 -8.465 -2.697 343 HA LEU 49 HA LEU 49 60.522 -7.960 -3.420 344 1HB LEU 49 HB2 LEU 49 62.737 -6.220 -4.490 345 2HB LEU 49 HB1 LEU 49 61.165 -5.739 -3.856 346 HG LEU 49 HG LEU 49 63.586 -6.691 -2.320 347 1HD1 LEU 49 HD12 LEU 49 62.046 -4.182 -2.664 348 2HD1 LEU 49 HD11 LEU 49 62.536 -4.553 -1.010 349 3HD1 LEU 49 HD13 LEU 49 63.752 -4.415 -2.279 350 1HD2 LEU 49 HD23 LEU 49 60.678 -6.617 -1.487 351 2HD2 LEU 49 HD22 LEU 49 61.825 -7.946 -1.319 352 3HD2 LEU 49 HD21 LEU 49 61.988 -6.508 -0.309 353 H GLY 50 HN GLY 50 63.326 -8.428 -5.573 354 1HA GLY 50 HA2 GLY 50 62.599 -9.843 -7.622 355 2HA GLY 50 HA1 GLY 50 61.425 -8.549 -7.872 356 H GLN 51 HN GLN 51 63.126 -6.365 -7.126 357 HA GLN 51 HA GLN 51 64.345 -5.732 -9.589 358 1HB GLN 51 HB2 GLN 51 64.673 -4.690 -6.788 359 2HB GLN 51 HB1 GLN 51 65.732 -4.101 -8.069 360 1HG GLN 51 HG2 GLN 51 64.081 -2.635 -8.559 361 2HG GLN 51 HG1 GLN 51 63.216 -4.015 -9.237 362 1HE2 GLN 51 HE22 GLN 51 62.122 -2.587 -5.544 363 2HE2 GLN 51 HE21 GLN 51 63.642 -2.180 -6.181 364 H ASN 52 HN ASN 52 66.178 -6.493 -10.527 365 HA ASN 52 HA ASN 52 68.297 -7.617 -8.742 366 1HB ASN 52 HB2 ASN 52 66.811 -8.888 -10.905 367 2HB ASN 52 HB1 ASN 52 68.551 -8.933 -11.190 368 1HD2 ASN 52 HD22 ASN 52 67.487 -10.503 -7.550 369 2HD2 ASN 52 HD21 ASN 52 66.921 -8.967 -8.001 370 HA PRO 53 HA PRO 53 70.173 -4.370 -11.355 371 1HB PRO 53 HB2 PRO 53 71.691 -3.331 -9.311 372 2HB PRO 53 HB1 PRO 53 70.026 -2.829 -9.647 373 1HG PRO 53 HG2 PRO 53 71.054 -4.562 -7.450 374 2HG PRO 53 HG1 PRO 53 69.604 -3.546 -7.492 375 1HD PRO 53 HD2 PRO 53 69.670 -6.358 -7.825 376 2HD PRO 53 HD1 PRO 53 68.293 -5.294 -8.185 377 H THR 54 HN THR 54 72.785 -3.789 -11.133 378 HA THR 54 HA THR 54 74.094 -6.405 -11.545 379 HB THR 54 HB THR 54 75.946 -5.090 -12.467 380 HG1 THR 54 HG1 THR 54 74.530 -3.043 -11.209 381 1HG2 THR 54 HG22 THR 54 73.627 -5.459 -13.676 382 2HG2 THR 54 HG21 THR 54 73.511 -3.706 -13.525 383 3HG2 THR 54 HG23 THR 54 74.858 -4.428 -14.406 384 H LYS 55 HN LYS 55 75.859 -7.129 -10.308 385 HA LYS 55 HA LYS 55 75.913 -6.533 -7.554 386 1HB LYS 55 HB2 LYS 55 78.105 -7.643 -9.333 387 2HB LYS 55 HB1 LYS 55 78.167 -7.642 -7.569 388 1HG LYS 55 HG2 LYS 55 76.178 -9.025 -7.440 389 2HG LYS 55 HG1 LYS 55 75.946 -8.920 -9.186 390 1HD LYS 55 HD2 LYS 55 78.230 -9.992 -9.448 391 2HD LYS 55 HD1 LYS 55 78.202 -10.295 -7.710 392 1HE LYS 55 HE2 LYS 55 77.292 -12.281 -8.502 393 2HE LYS 55 HE1 LYS 55 75.829 -11.332 -8.248 394 1HZ LYS 55 HZ2 LYS 55 76.329 -10.577 -10.684 395 2HZ LYS 55 HZ1 LYS 55 77.169 -12.052 -10.753 396 3HZ LYS 55 HZ3 LYS 55 75.513 -12.037 -10.379 397 H GLU 56 HN GLU 56 77.685 -5.047 -10.225 398 HA GLU 56 HA GLU 56 79.546 -3.551 -8.649 399 1HB GLU 56 HB2 GLU 56 79.785 -3.813 -11.089 400 2HB GLU 56 HB1 GLU 56 78.318 -2.863 -11.338 401 1HG GLU 56 HG2 GLU 56 80.220 -1.497 -9.595 402 2HG GLU 56 HG1 GLU 56 80.912 -1.855 -11.179 403 H GLU 57 HN GLU 57 76.703 -2.194 -10.350 404 HA GLU 57 HA GLU 57 76.551 0.240 -9.019 405 1HB GLU 57 HB2 GLU 57 74.929 -1.108 -10.788 406 2HB GLU 57 HB1 GLU 57 73.916 -1.036 -9.346 407 1HG GLU 57 HG2 GLU 57 74.380 1.423 -9.207 408 2HG GLU 57 HG1 GLU 57 75.239 1.306 -10.743 409 H LEU 58 HN LEU 58 75.577 -2.930 -7.824 410 HA LEU 58 HA LEU 58 74.072 -2.066 -5.561 411 1HB LEU 58 HB2 LEU 58 74.682 -4.495 -6.612 412 2HB LEU 58 HB1 LEU 58 75.766 -4.476 -5.222 413 HG LEU 58 HG LEU 58 73.096 -3.477 -4.567 414 1HD1 LEU 58 HD11 LEU 58 72.950 -5.453 -6.416 415 2HD1 LEU 58 HD13 LEU 58 73.098 -6.422 -4.950 416 3HD1 LEU 58 HD12 LEU 58 71.776 -5.266 -5.113 417 1HD2 LEU 58 HD22 LEU 58 75.083 -5.488 -3.524 418 2HD2 LEU 58 HD21 LEU 58 74.490 -4.015 -2.756 419 3HD2 LEU 58 HD23 LEU 58 73.448 -5.434 -2.864 420 H ASP 59 HN ASP 59 77.552 -2.825 -5.879 421 HA ASP 59 HA ASP 59 78.254 -2.293 -3.173 422 1HB ASP 59 HB2 ASP 59 79.640 -3.228 -5.261 423 2HB ASP 59 HB1 ASP 59 80.164 -1.546 -5.345 424 H ALA 60 HN ALA 60 78.384 -0.118 -6.018 425 HA ALA 60 HA ALA 60 79.192 2.191 -4.529 426 1HB ALA 60 HB2 ALA 60 78.118 1.643 -7.240 427 2HB ALA 60 HB1 ALA 60 77.851 3.275 -6.626 428 3HB ALA 60 HB3 ALA 60 79.490 2.637 -6.752 429 H ILE 61 HN ILE 61 76.143 0.592 -4.873 430 HA ILE 61 HA ILE 61 74.524 2.906 -4.144 431 HB ILE 61 HB ILE 61 73.980 -0.058 -4.379 432 1HG1 ILE 61 HG12 ILE 61 72.624 2.226 -5.805 433 2HG1 ILE 61 HG11 ILE 61 74.182 1.616 -6.364 434 1HG2 ILE 61 HG21 ILE 61 72.443 2.020 -2.953 435 2HG2 ILE 61 HG23 ILE 61 71.510 1.100 -4.130 436 3HG2 ILE 61 HG22 ILE 61 72.350 0.265 -2.824 437 1HD1 ILE 61 HD12 ILE 61 73.234 -0.656 -6.539 438 2HD1 ILE 61 HD11 ILE 61 71.674 -0.047 -5.984 439 3HD1 ILE 61 HD13 ILE 61 72.329 0.485 -7.533 440 H ILE 62 HN ILE 62 75.980 0.160 -2.452 441 HA ILE 62 HA ILE 62 74.675 0.544 0.061 442 HB ILE 62 HB ILE 62 77.346 -0.660 -0.700 443 1HG1 ILE 62 HG12 ILE 62 74.740 -1.871 0.282 444 2HG1 ILE 62 HG11 ILE 62 75.269 -1.838 -1.401 445 1HG2 ILE 62 HG22 ILE 62 76.039 -0.367 2.010 446 2HG2 ILE 62 HG21 ILE 62 77.201 -1.649 1.666 447 3HG2 ILE 62 HG23 ILE 62 77.691 0.041 1.546 448 1HD1 ILE 62 HD12 ILE 62 77.404 -2.870 0.217 449 2HD1 ILE 62 HD11 ILE 62 75.927 -3.760 0.589 450 3HD1 ILE 62 HD13 ILE 62 76.514 -3.680 -1.073 451 H GLU 63 HN GLU 63 77.664 1.922 -1.288 452 HA GLU 63 HA GLU 63 78.445 3.304 1.107 453 1HB GLU 63 HB2 GLU 63 79.189 3.420 -1.779 454 2HB GLU 63 HB1 GLU 63 79.609 4.810 -0.775 455 1HG GLU 63 HG2 GLU 63 80.199 2.180 0.438 456 2HG GLU 63 HG1 GLU 63 81.155 2.569 -0.993 457 H GLU 64 HN GLU 64 76.735 4.464 -1.824 458 HA GLU 64 HA GLU 64 76.335 7.116 -0.805 459 1HB GLU 64 HB2 GLU 64 74.620 7.304 -2.603 460 2HB GLU 64 HB1 GLU 64 76.153 6.660 -3.191 461 1HG GLU 64 HG2 GLU 64 75.091 4.330 -2.691 462 2HG GLU 64 HG1 GLU 64 73.562 5.209 -2.708 463 H VAL 65 HN VAL 65 74.635 4.118 -0.251 464 HA VAL 65 HA VAL 65 72.197 5.404 0.710 465 HB VAL 65 HB VAL 65 73.227 2.575 1.105 466 1HG1 VAL 65 HG11 VAL 65 71.116 3.972 2.390 467 2HG1 VAL 65 HG13 VAL 65 70.368 2.878 1.224 468 3HG1 VAL 65 HG12 VAL 65 71.459 2.244 2.457 469 1HG2 VAL 65 HG23 VAL 65 72.528 3.678 -1.251 470 2HG2 VAL 65 HG22 VAL 65 72.152 2.002 -0.845 471 3HG2 VAL 65 HG21 VAL 65 70.921 3.253 -0.658 472 H ASP 66 HN ASP 66 75.155 4.101 2.164 473 HA ASP 66 HA ASP 66 74.201 4.612 4.888 474 1HB ASP 66 HB2 ASP 66 76.214 3.033 3.751 475 2HB ASP 66 HB1 ASP 66 77.083 4.297 4.621 476 H GLU 67 HN GLU 67 73.723 6.954 4.329 477 HA GLU 67 HA GLU 67 75.853 8.799 3.775 478 1HB GLU 67 HB2 GLU 67 74.248 10.526 4.553 479 2HB GLU 67 HB1 GLU 67 73.496 9.398 3.426 480 1HG GLU 67 HG2 GLU 67 72.763 8.072 5.503 481 2HG GLU 67 HG1 GLU 67 73.202 9.508 6.429 482 H ASP 68 HN ASP 68 74.588 7.391 6.741 483 HA ASP 68 HA ASP 68 76.194 9.190 8.431 484 1HB ASP 68 HB2 ASP 68 75.267 7.892 10.299 485 2HB ASP 68 HB1 ASP 68 73.978 8.381 9.199 486 H GLY 69 HN GLY 69 76.928 6.592 6.530 487 1HA GLY 69 HA2 GLY 69 78.640 4.976 6.561 488 2HA GLY 69 HA1 GLY 69 79.546 6.228 7.414 489 H SER 70 HN SER 70 76.615 4.992 8.830 490 HA SER 70 HA SER 70 77.933 4.247 11.260 491 1HB SER 70 HB2 SER 70 75.765 3.249 11.883 492 2HB SER 70 HB1 SER 70 75.537 4.840 11.160 493 HG SER 70 HG SER 70 74.265 2.843 10.410 494 H GLY 71 HN GLY 71 77.571 2.610 8.264 495 1HA GLY 71 HA2 GLY 71 78.678 0.579 7.669 496 2HA GLY 71 HA1 GLY 71 78.950 0.257 9.383 497 H THR 72 HN THR 72 75.759 1.202 8.508 498 HA THR 72 HA THR 72 74.793 -1.536 8.075 499 HB THR 72 HB THR 72 73.155 -0.914 10.160 500 HG1 THR 72 HG1 THR 72 75.634 -0.304 11.247 501 1HG2 THR 72 HG22 THR 72 75.605 -2.559 9.818 502 2HG2 THR 72 HG21 THR 72 75.044 -2.321 11.472 503 3HG2 THR 72 HG23 THR 72 73.974 -3.050 10.275 504 H ILE 73 HN ILE 73 72.701 -1.526 7.165 505 HA ILE 73 HA ILE 73 71.718 1.172 6.403 506 HB ILE 73 HB ILE 73 70.854 -1.549 5.386 507 1HG1 ILE 73 HG12 ILE 73 73.294 -0.868 4.985 508 2HG1 ILE 73 HG11 ILE 73 72.342 -1.230 3.545 509 1HG2 ILE 73 HG21 ILE 73 70.172 1.290 4.715 510 2HG2 ILE 73 HG23 ILE 73 70.206 0.099 3.415 511 3HG2 ILE 73 HG22 ILE 73 69.121 -0.127 4.788 512 1HD1 ILE 73 HD13 ILE 73 72.013 1.550 4.233 513 2HD1 ILE 73 HD12 ILE 73 73.733 1.170 4.131 514 3HD1 ILE 73 HD11 ILE 73 72.676 0.852 2.754 515 H ASP 74 HN ASP 74 69.781 1.952 7.126 516 HA ASP 74 HA ASP 74 68.192 0.168 8.927 517 1HB ASP 74 HB2 ASP 74 69.209 2.853 9.250 518 2HB ASP 74 HB1 ASP 74 67.447 2.866 9.340 519 H PHE 75 HN PHE 75 65.788 0.728 8.920 520 HA PHE 75 HA PHE 75 64.654 0.450 6.379 521 1HB PHE 75 HB2 PHE 75 63.542 0.222 8.694 522 2HB PHE 75 HB1 PHE 75 63.260 1.960 8.590 523 HD1 PHE 75 HD2 PHE 75 63.093 -0.902 6.172 524 HD2 PHE 75 HD1 PHE 75 61.092 2.472 7.917 525 HE1 PHE 75 HE2 PHE 75 61.129 -1.311 4.709 526 HE2 PHE 75 HE1 PHE 75 59.128 2.066 6.456 527 HZ PHE 75 HZ PHE 75 59.147 0.175 4.852 528 H GLU 76 HN GLU 76 65.365 3.449 8.152 529 HA GLU 76 HA GLU 76 64.088 5.245 6.348 530 1HB GLU 76 HB2 GLU 76 65.626 6.954 7.297 531 2HB GLU 76 HB1 GLU 76 64.875 5.966 8.551 532 1HG GLU 76 HG2 GLU 76 67.007 4.463 8.265 533 2HG GLU 76 HG1 GLU 76 67.708 5.917 7.552 534 H GLU 77 HN GLU 77 67.324 3.786 6.291 535 HA GLU 77 HA GLU 77 68.062 5.336 3.897 536 1HB GLU 77 HB2 GLU 77 69.540 3.042 5.219 537 2HB GLU 77 HB1 GLU 77 70.200 4.198 4.062 538 1HG GLU 77 HG2 GLU 77 69.641 6.035 5.699 539 2HG GLU 77 HG1 GLU 77 69.222 4.783 6.869 540 H PHE 78 HN PHE 78 66.456 2.391 4.579 541 HA PHE 78 HA PHE 78 67.284 0.894 2.264 542 1HB PHE 78 HB2 PHE 78 66.280 -0.523 3.773 543 2HB PHE 78 HB1 PHE 78 65.153 0.706 4.337 544 HD1 PHE 78 HD2 PHE 78 63.176 1.312 2.921 545 HD2 PHE 78 HD1 PHE 78 65.669 -2.074 2.067 546 HE1 PHE 78 HE2 PHE 78 61.389 0.361 1.478 547 HE2 PHE 78 HE1 PHE 78 63.889 -3.027 0.625 548 HZ PHE 78 HZ PHE 78 61.748 -1.810 0.332 549 H LEU 79 HN LEU 79 64.418 2.927 2.944 550 HA LEU 79 HA LEU 79 63.132 2.717 0.462 551 1HB LEU 79 HB2 LEU 79 63.436 5.206 2.174 552 2HB LEU 79 HB1 LEU 79 62.224 4.976 0.915 553 HG LEU 79 HG LEU 79 62.522 3.171 3.331 554 1HD1 LEU 79 HD13 LEU 79 60.880 5.633 2.821 555 2HD1 LEU 79 HD12 LEU 79 60.220 4.347 3.831 556 3HD1 LEU 79 HD11 LEU 79 61.725 5.145 4.289 557 1HD2 LEU 79 HD21 LEU 79 61.505 2.206 1.239 558 2HD2 LEU 79 HD23 LEU 79 60.395 2.252 2.609 559 3HD2 LEU 79 HD22 LEU 79 60.264 3.455 1.326 560 H VAL 80 HN VAL 80 65.984 4.599 1.350 561 HA VAL 80 HA VAL 80 66.151 6.167 -1.042 562 HB VAL 80 HB VAL 80 68.385 5.153 0.745 563 1HG1 VAL 80 HG11 VAL 80 69.154 5.960 -1.464 564 2HG1 VAL 80 HG13 VAL 80 68.286 7.473 -1.207 565 3HG1 VAL 80 HG12 VAL 80 69.652 7.054 -0.173 566 1HG2 VAL 80 HG22 VAL 80 66.334 6.691 1.566 567 2HG2 VAL 80 HG21 VAL 80 67.980 6.931 2.150 568 3HG2 VAL 80 HG23 VAL 80 67.348 7.946 0.856 569 H MET 81 HN MET 81 67.621 3.042 -0.144 570 HA MET 81 HA MET 81 69.039 2.578 -2.546 571 1HB MET 81 HB2 MET 81 68.859 1.205 -0.278 572 2HB MET 81 HB1 MET 81 67.652 0.296 -1.190 573 1HG MET 81 HG2 MET 81 69.217 -0.342 -2.848 574 2HG MET 81 HG1 MET 81 70.377 0.887 -2.343 575 1HE MET 81 HE3 MET 81 70.702 1.181 0.060 576 2HE MET 81 HE2 MET 81 70.766 -0.066 1.303 577 3HE MET 81 HE1 MET 81 72.155 0.189 0.248 578 H MET 82 HN MET 82 65.633 2.047 -1.749 579 HA MET 82 HA MET 82 64.926 0.554 -4.077 580 1HB MET 82 HB2 MET 82 63.317 2.435 -2.331 581 2HB MET 82 HB1 MET 82 62.605 1.466 -3.620 582 1HG MET 82 HG2 MET 82 64.199 0.338 -1.301 583 2HG MET 82 HG1 MET 82 62.437 0.359 -1.390 584 1HE MET 82 HE3 MET 82 65.282 -1.631 -1.548 585 2HE MET 82 HE2 MET 82 65.299 -2.639 -2.994 586 3HE MET 82 HE1 MET 82 65.756 -0.940 -3.107 587 H VAL 83 HN VAL 83 64.177 4.012 -3.494 588 HA VAL 83 HA VAL 83 63.662 4.564 -6.254 589 HB VAL 83 HB VAL 83 64.601 6.582 -4.205 590 1HG1 VAL 83 HG13 VAL 83 64.056 6.943 -6.822 591 2HG1 VAL 83 HG12 VAL 83 62.424 7.089 -6.169 592 3HG1 VAL 83 HG11 VAL 83 63.700 8.165 -5.602 593 1HG2 VAL 83 HG21 VAL 83 62.363 4.815 -4.035 594 2HG2 VAL 83 HG23 VAL 83 62.762 6.165 -2.972 595 3HG2 VAL 83 HG22 VAL 83 61.746 6.429 -4.389 596 H ARG 84 HN ARG 84 66.588 3.977 -4.646 597 HA ARG 84 HA ARG 84 68.326 5.768 -6.073 598 1HB ARG 84 HB2 ARG 84 68.659 3.282 -4.457 599 2HB ARG 84 HB1 ARG 84 69.980 3.721 -5.541 600 1HG ARG 84 HG2 ARG 84 69.170 6.114 -4.265 601 2HG ARG 84 HG1 ARG 84 69.273 4.888 -3.002 602 1HD ARG 84 HD2 ARG 84 71.540 4.509 -3.361 603 2HD ARG 84 HD1 ARG 84 71.475 5.077 -5.029 604 HE ARG 84 HE ARG 84 71.641 6.804 -2.623 605 1HH1 ARG 84 HH11 ARG 84 69.857 7.929 -4.812 606 2HH1 ARG 84 HH12 ARG 84 70.989 8.879 -5.716 607 1HH2 ARG 84 HH21 ARG 84 73.779 7.375 -4.312 608 2HH2 ARG 84 HH22 ARG 84 73.209 8.565 -5.433 609 H GLN 85 HN GLN 85 67.207 2.451 -6.719 610 HA GLN 85 HA GLN 85 68.701 2.400 -9.265 611 1HB GLN 85 HB2 GLN 85 67.306 0.439 -7.557 612 2HB GLN 85 HB1 GLN 85 67.102 0.171 -9.288 613 1HG GLN 85 HG2 GLN 85 69.130 -0.818 -9.253 614 2HG GLN 85 HG1 GLN 85 69.804 0.797 -9.028 615 1HE2 GLN 85 HE22 GLN 85 69.636 0.208 -5.306 616 2HE2 GLN 85 HE21 GLN 85 68.836 1.278 -6.352 617 H MET 86 HN MET 86 65.405 2.813 -8.094 618 HA MET 86 HA MET 86 63.850 2.401 -10.342 619 1HB MET 86 HB2 MET 86 63.771 4.524 -8.215 620 2HB MET 86 HB1 MET 86 62.628 4.592 -9.559 621 1HG MET 86 HG2 MET 86 61.793 2.378 -9.040 622 2HG MET 86 HG1 MET 86 63.038 2.150 -7.812 623 1HE MET 86 HE3 MET 86 59.671 3.154 -8.723 624 2HE MET 86 HE2 MET 86 59.743 1.902 -7.484 625 3HE MET 86 HE1 MET 86 58.941 3.433 -7.137 626 H LYS 87 HN LYS 87 64.700 5.782 -9.695 627 HA LYS 87 HA LYS 87 65.537 6.016 -12.559 628 1HB LYS 87 HB2 LYS 87 64.598 8.463 -12.185 629 2HB LYS 87 HB1 LYS 87 63.503 7.146 -12.609 630 1HG LYS 87 HG2 LYS 87 62.510 8.300 -10.750 631 2HG LYS 87 HG1 LYS 87 63.152 6.783 -10.122 632 1HD LYS 87 HD2 LYS 87 64.604 7.855 -8.768 633 2HD LYS 87 HD1 LYS 87 65.154 8.901 -10.080 634 1HE LYS 87 HE2 LYS 87 64.051 10.135 -8.176 635 2HE LYS 87 HE1 LYS 87 63.294 10.408 -9.745 636 1HZ LYS 87 HZ1 LYS 87 62.319 8.195 -8.095 637 2HZ LYS 87 HZ3 LYS 87 61.881 9.773 -7.653 638 3HZ LYS 87 HZ2 LYS 87 61.477 9.180 -9.194 639 H GLU 88 HN GLU 88 66.875 5.872 -9.722 640 HA GLU 88 HA GLU 88 68.736 6.848 -8.686 641 1HB GLU 88 HB2 GLU 88 69.265 7.990 -11.443 642 2HB GLU 88 HB1 GLU 88 70.451 7.657 -10.180 643 1HG GLU 88 HG2 GLU 88 70.677 5.546 -10.916 644 2HG GLU 88 HG1 GLU 88 68.952 5.263 -10.682 645 H ASP 89 HN ASP 89 69.989 9.349 -9.386 646 HA ASP 89 HA ASP 89 68.086 11.161 -8.085 647 1HB ASP 89 HB2 ASP 89 69.959 12.752 -8.076 648 2HB ASP 89 HB1 ASP 89 70.499 11.179 -7.494 649 H ALA 90 HN ALA 90 68.715 10.264 -11.268 650 HA ALA 90 HA ALA 90 67.782 11.118 -13.258 651 1HB ALA 90 HB3 ALA 90 66.195 12.251 -11.304 652 2HB ALA 90 HB2 ALA 90 66.835 13.666 -12.138 653 3HB ALA 90 HB1 ALA 90 65.948 12.436 -13.040 No H/Q in entry = 653 Start of MODEL 11 1 1H ALA 1 HT3 ALA 1 67.145 9.736 11.420 2 2H ALA 1 HT2 ALA 1 66.868 8.976 12.914 3 3H ALA 1 HT1 ALA 1 65.600 9.779 12.119 4 HA ALA 1 HA ALA 1 66.216 11.281 13.756 5 1HB ALA 1 HB2 ALA 1 68.958 10.233 13.137 6 2HB ALA 1 HB1 ALA 1 68.799 11.845 13.838 7 3HB ALA 1 HB3 ALA 1 68.170 10.441 14.701 8 H SER 2 HN SER 2 68.938 11.719 11.533 9 HA SER 2 HA SER 2 68.054 14.369 10.814 10 1HB SER 2 HB2 SER 2 70.040 14.526 9.621 11 2HB SER 2 HB1 SER 2 70.453 13.247 10.759 12 HG SER 2 HG SER 2 70.925 12.297 8.904 13 H MET 3 HN MET 3 68.543 14.357 7.997 14 HA MET 3 HA MET 3 66.904 12.450 6.610 15 1HB MET 3 HB2 MET 3 65.329 14.088 8.087 16 2HB MET 3 HB1 MET 3 65.478 15.056 6.619 17 1HG MET 3 HG2 MET 3 64.726 13.147 5.266 18 2HG MET 3 HG1 MET 3 64.614 12.149 6.716 19 1HE MET 3 HE2 MET 3 63.170 11.885 8.063 20 2HE MET 3 HE1 MET 3 62.479 13.251 8.934 21 3HE MET 3 HE3 MET 3 61.464 12.273 7.867 22 H THR 4 HN THR 4 68.910 12.757 5.346 23 HA THR 4 HA THR 4 69.607 15.260 4.140 24 HB THR 4 HB THR 4 71.083 14.004 2.754 25 HG1 THR 4 HG1 THR 4 69.738 11.616 3.379 26 1HG2 THR 4 HG23 THR 4 71.422 13.845 5.280 27 2HG2 THR 4 HG22 THR 4 70.722 12.228 5.172 28 3HG2 THR 4 HG21 THR 4 72.218 12.602 4.316 29 H ASP 5 HN ASP 5 69.477 15.580 1.675 30 HA ASP 5 HA ASP 5 66.721 15.649 0.885 31 1HB ASP 5 HB2 ASP 5 68.985 15.786 -1.095 32 2HB ASP 5 HB1 ASP 5 67.471 16.689 -1.079 33 H GLN 6 HN GLN 6 69.130 13.193 0.672 34 HA GLN 6 HA GLN 6 68.274 11.778 -1.638 35 1HB GLN 6 HB2 GLN 6 69.792 11.141 0.825 36 2HB GLN 6 HB1 GLN 6 69.034 9.761 0.027 37 1HG GLN 6 HG2 GLN 6 70.385 9.910 -1.808 38 2HG GLN 6 HG1 GLN 6 70.420 11.674 -1.765 39 1HE2 GLN 6 HE22 GLN 6 72.914 9.927 0.992 40 2HE2 GLN 6 HE21 GLN 6 71.302 9.411 0.881 41 H GLN 7 HN GLN 7 67.165 11.534 1.748 42 HA GLN 7 HA GLN 7 65.142 9.541 1.072 43 1HB GLN 7 HB2 GLN 7 65.257 11.248 3.569 44 2HB GLN 7 HB1 GLN 7 64.499 9.667 3.376 45 1HG GLN 7 HG2 GLN 7 66.829 8.781 2.798 46 2HG GLN 7 HG1 GLN 7 67.450 10.320 3.392 47 1HE2 GLN 7 HE22 GLN 7 67.581 8.448 6.466 48 2HE2 GLN 7 HE21 GLN 7 68.504 8.865 5.105 49 H ALA 8 HN ALA 8 65.341 12.998 1.068 50 HA ALA 8 HA ALA 8 62.546 13.588 1.384 51 1HB ALA 8 HB2 ALA 8 64.879 15.055 0.164 52 2HB ALA 8 HB1 ALA 8 63.244 15.707 0.042 53 3HB ALA 8 HB3 ALA 8 63.975 15.445 1.627 54 H GLU 9 HN GLU 9 64.572 13.024 -1.497 55 HA GLU 9 HA GLU 9 62.313 13.335 -3.316 56 1HB GLU 9 HB2 GLU 9 65.144 13.160 -3.542 57 2HB GLU 9 HB1 GLU 9 64.464 11.842 -4.496 58 1HG GLU 9 HG2 GLU 9 62.982 13.434 -5.654 59 2HG GLU 9 HG1 GLU 9 63.651 14.757 -4.698 60 H ALA 10 HN ALA 10 63.913 10.667 -1.668 61 HA ALA 10 HA ALA 10 62.710 8.558 -3.219 62 1HB ALA 10 HB1 ALA 10 64.181 8.777 -0.645 63 2HB ALA 10 HB3 ALA 10 63.147 7.362 -0.836 64 3HB ALA 10 HB2 ALA 10 64.436 7.674 -1.997 65 H ARG 11 HN ARG 11 61.982 9.387 0.190 66 HA ARG 11 HA ARG 11 59.486 8.070 0.275 67 1HB ARG 11 HB2 ARG 11 60.956 9.938 1.936 68 2HB ARG 11 HB1 ARG 11 59.232 10.309 1.956 69 1HG ARG 11 HG2 ARG 11 58.720 8.417 3.098 70 2HG ARG 11 HG1 ARG 11 59.823 7.434 2.134 71 1HD ARG 11 HD2 ARG 11 61.706 8.072 3.456 72 2HD ARG 11 HD1 ARG 11 60.805 9.373 4.236 73 HE ARG 11 HE ARG 11 60.750 6.563 4.998 74 1HH1 ARG 11 HH21 ARG 11 57.888 7.152 4.477 75 2HH1 ARG 11 HH22 ARG 11 57.357 7.814 5.987 76 1HH2 ARG 11 HH11 ARG 11 60.564 8.448 7.141 77 2HH2 ARG 11 HH12 ARG 11 58.871 8.546 7.495 78 H ALA 12 HN ALA 12 60.296 11.339 -0.810 79 HA ALA 12 HA ALA 12 57.664 12.386 -1.002 80 1HB ALA 12 HB2 ALA 12 60.125 12.908 -2.693 81 2HB ALA 12 HB1 ALA 12 58.639 13.850 -2.814 82 3HB ALA 12 HB3 ALA 12 59.562 13.849 -1.310 83 H PHE 13 HN PHE 13 59.495 10.321 -3.229 84 HA PHE 13 HA PHE 13 57.302 10.383 -5.198 85 1HB PHE 13 HB2 PHE 13 59.578 10.320 -6.057 86 2HB PHE 13 HB1 PHE 13 59.923 8.860 -5.128 87 HD1 PHE 13 HD1 PHE 13 57.940 10.246 -7.942 88 HD2 PHE 13 HD2 PHE 13 59.194 6.697 -5.869 89 HE1 PHE 13 HE1 PHE 13 57.061 8.852 -9.797 90 HE2 PHE 13 HE2 PHE 13 58.314 5.305 -7.722 91 HZ PHE 13 HZ PHE 13 57.248 6.381 -9.685 92 H LEU 14 HN LEU 14 58.270 8.487 -2.485 93 HA LEU 14 HA LEU 14 56.698 6.143 -3.393 94 1HB LEU 14 HB2 LEU 14 58.136 6.523 -0.753 95 2HB LEU 14 HB1 LEU 14 57.584 5.006 -1.463 96 HG LEU 14 HG LEU 14 59.524 6.762 -2.950 97 1HD1 LEU 14 HD13 LEU 14 59.999 5.212 -0.488 98 2HD1 LEU 14 HD12 LEU 14 61.094 4.818 -1.814 99 3HD1 LEU 14 HD11 LEU 14 60.980 6.478 -1.228 100 1HD2 LEU 14 HD23 LEU 14 58.428 4.881 -4.122 101 2HD2 LEU 14 HD22 LEU 14 60.158 4.591 -3.940 102 3HD2 LEU 14 HD21 LEU 14 59.011 3.772 -2.881 103 H SER 15 HN SER 15 54.809 5.449 -2.293 104 HA SER 15 HA SER 15 53.517 7.579 -0.649 105 1HB SER 15 HB2 SER 15 51.469 6.928 -1.526 106 2HB SER 15 HB1 SER 15 52.524 6.541 -2.882 107 HG SER 15 HG SER 15 51.861 4.571 -2.635 108 H GLU 16 HN GLU 16 52.152 6.803 1.174 109 HA GLU 16 HA GLU 16 53.558 5.026 2.898 110 1HB GLU 16 HB2 GLU 16 51.542 5.130 4.325 111 2HB GLU 16 HB1 GLU 16 51.977 6.732 3.727 112 1HG GLU 16 HG2 GLU 16 49.805 6.848 3.072 113 2HG GLU 16 HG1 GLU 16 50.325 5.827 1.731 114 H GLU 17 HN GLU 17 51.258 4.422 0.377 115 HA GLU 17 HA GLU 17 50.327 1.851 1.296 116 1HB GLU 17 HB2 GLU 17 49.823 3.553 -0.898 117 2HB GLU 17 HB1 GLU 17 50.416 2.041 -1.589 118 1HG GLU 17 HG2 GLU 17 48.110 2.370 0.352 119 2HG GLU 17 HG1 GLU 17 48.009 1.867 -1.337 120 H MET 18 HN MET 18 53.153 2.925 -0.507 121 HA MET 18 HA MET 18 53.945 0.131 -1.072 122 1HB MET 18 HB2 MET 18 54.491 2.686 -2.244 123 2HB MET 18 HB1 MET 18 56.020 1.982 -1.719 124 1HG MET 18 HG2 MET 18 55.268 -0.174 -2.858 125 2HG MET 18 HG1 MET 18 53.971 0.774 -3.585 126 1HE MET 18 HE1 MET 18 56.173 -0.986 -4.557 127 2HE MET 18 HE3 MET 18 55.795 -0.270 -6.130 128 3HE MET 18 HE2 MET 18 57.452 -0.263 -5.529 129 H ILE 19 HN ILE 19 55.449 2.976 0.511 130 HA ILE 19 HA ILE 19 57.653 1.761 1.676 131 HB ILE 19 HB ILE 19 55.793 3.856 2.828 132 1HG1 ILE 19 HG12 ILE 19 58.524 4.609 2.139 133 2HG1 ILE 19 HG11 ILE 19 57.680 3.907 0.758 134 1HG2 ILE 19 HG21 ILE 19 58.417 2.763 3.867 135 2HG2 ILE 19 HG23 ILE 19 57.803 4.353 4.325 136 3HG2 ILE 19 HG22 ILE 19 56.885 2.903 4.729 137 1HD1 ILE 19 HD13 ILE 19 55.792 5.590 1.973 138 2HD1 ILE 19 HD12 ILE 19 57.302 6.500 2.009 139 3HD1 ILE 19 HD11 ILE 19 56.671 5.901 0.476 140 H ALA 20 HN ALA 20 54.280 1.399 2.583 141 HA ALA 20 HA ALA 20 54.705 0.195 5.151 142 1HB ALA 20 HB2 ALA 20 52.479 0.522 3.264 143 2HB ALA 20 HB1 ALA 20 52.396 -0.976 4.189 144 3HB ALA 20 HB3 ALA 20 52.472 0.573 5.028 145 H GLU 21 HN GLU 21 54.198 -1.261 1.923 146 HA GLU 21 HA GLU 21 54.504 -3.969 2.791 147 1HB GLU 21 HB2 GLU 21 54.395 -2.523 0.237 148 2HB GLU 21 HB1 GLU 21 55.424 -3.954 0.184 149 1HG GLU 21 HG2 GLU 21 53.440 -5.132 1.403 150 2HG GLU 21 HG1 GLU 21 52.488 -3.770 0.813 151 H PHE 22 HN PHE 22 56.859 -1.680 1.382 152 HA PHE 22 HA PHE 22 59.113 -3.347 1.319 153 1HB PHE 22 HB2 PHE 22 58.882 -0.399 1.971 154 2HB PHE 22 HB1 PHE 22 60.427 -1.215 1.736 155 HD1 PHE 22 HD1 PHE 22 59.777 -3.128 -0.420 156 HD2 PHE 22 HD2 PHE 22 58.642 0.986 0.073 157 HE1 PHE 22 HE1 PHE 22 59.528 -2.902 -2.877 158 HE2 PHE 22 HE2 PHE 22 58.393 1.212 -2.384 159 HZ PHE 22 HZ PHE 22 58.836 -0.732 -3.859 160 H LYS 23 HN LYS 23 57.474 -1.968 4.076 161 HA LYS 23 HA LYS 23 59.570 -2.177 6.000 162 1HB LYS 23 HB2 LYS 23 57.501 -0.983 6.504 163 2HB LYS 23 HB1 LYS 23 56.572 -2.474 6.343 164 1HG LYS 23 HG2 LYS 23 56.973 -2.039 8.709 165 2HG LYS 23 HG1 LYS 23 57.901 -3.456 8.216 166 1HD LYS 23 HD2 LYS 23 59.737 -2.425 9.017 167 2HD LYS 23 HD1 LYS 23 59.583 -1.270 7.692 168 1HE LYS 23 HE2 LYS 23 59.545 0.145 9.546 169 2HE LYS 23 HE1 LYS 23 57.823 -0.121 9.267 170 1HZ LYS 23 HZ1 LYS 23 59.500 -1.679 11.160 171 2HZ LYS 23 HZ3 LYS 23 58.459 -0.414 11.602 172 3HZ LYS 23 HZ2 LYS 23 57.824 -1.841 10.930 173 H ALA 24 HN ALA 24 57.053 -4.518 5.043 174 HA ALA 24 HA ALA 24 57.690 -6.597 6.820 175 1HB ALA 24 HB3 ALA 24 56.595 -6.521 4.027 176 2HB ALA 24 HB2 ALA 24 56.996 -8.078 4.753 177 3HB ALA 24 HB1 ALA 24 55.804 -7.027 5.520 178 H ALA 25 HN ALA 25 59.302 -5.649 3.817 179 HA ALA 25 HA ALA 25 61.039 -7.947 3.684 180 1HB ALA 25 HB2 ALA 25 60.496 -5.768 2.051 181 2HB ALA 25 HB1 ALA 25 62.156 -5.479 2.577 182 3HB ALA 25 HB3 ALA 25 61.738 -6.985 1.759 183 H PHE 26 HN PHE 26 61.315 -4.749 5.189 184 HA PHE 26 HA PHE 26 64.061 -4.872 5.899 185 1HB PHE 26 HB2 PHE 26 62.412 -2.906 6.127 186 2HB PHE 26 HB1 PHE 26 61.929 -3.645 7.654 187 HD1 PHE 26 HD1 PHE 26 65.140 -2.911 5.829 188 HD2 PHE 26 HD2 PHE 26 62.986 -2.822 9.544 189 HE1 PHE 26 HE1 PHE 26 67.110 -1.905 6.948 190 HE2 PHE 26 HE2 PHE 26 64.957 -1.818 10.663 191 HZ PHE 26 HZ PHE 26 67.018 -1.358 9.364 192 H ASP 27 HN ASP 27 61.247 -5.658 7.987 193 HA ASP 27 HA ASP 27 62.734 -6.772 10.119 194 1HB ASP 27 HB2 ASP 27 60.220 -6.237 10.011 195 2HB ASP 27 HB1 ASP 27 60.037 -7.825 9.265 196 H MET 28 HN MET 28 62.251 -8.015 6.951 197 HA MET 28 HA MET 28 62.532 -10.823 7.663 198 1HB MET 28 HB2 MET 28 61.448 -10.641 5.630 199 2HB MET 28 HB1 MET 28 62.356 -9.209 5.157 200 1HG MET 28 HG2 MET 28 63.009 -11.103 3.761 201 2HG MET 28 HG1 MET 28 64.355 -10.621 4.791 202 1HE MET 28 HE1 MET 28 65.687 -11.915 5.526 203 2HE MET 28 HE3 MET 28 65.536 -13.475 6.344 204 3HE MET 28 HE2 MET 28 65.554 -13.397 4.584 205 H PHE 29 HN PHE 29 64.686 -8.239 6.521 206 HA PHE 29 HA PHE 29 66.989 -10.033 6.361 207 1HB PHE 29 HB2 PHE 29 67.365 -7.082 6.553 208 2HB PHE 29 HB1 PHE 29 68.126 -8.242 5.466 209 HD1 PHE 29 HD1 PHE 29 65.898 -9.617 4.211 210 HD2 PHE 29 HD2 PHE 29 66.294 -5.468 5.245 211 HE1 PHE 29 HE1 PHE 29 64.271 -9.020 2.438 212 HE2 PHE 29 HE2 PHE 29 64.666 -4.870 3.472 213 HZ PHE 29 HZ PHE 29 63.656 -6.648 2.068 214 H ASP 30 HN ASP 30 65.886 -7.476 8.593 215 HA ASP 30 HA ASP 30 67.950 -8.437 10.531 216 1HB ASP 30 HB2 ASP 30 68.137 -6.046 9.860 217 2HB ASP 30 HB1 ASP 30 66.504 -5.772 10.466 218 H ALA 31 HN ALA 31 66.273 -10.195 10.975 219 HA ALA 31 HA ALA 31 63.713 -9.783 12.007 220 1HB ALA 31 HB3 ALA 31 65.707 -11.871 12.145 221 2HB ALA 31 HB2 ALA 31 64.901 -11.710 13.705 222 3HB ALA 31 HB1 ALA 31 63.952 -12.012 12.249 223 H ASP 32 HN ASP 32 66.406 -10.392 14.266 224 HA ASP 32 HA ASP 32 65.098 -8.593 16.215 225 1HB ASP 32 HB2 ASP 32 67.491 -10.445 16.413 226 2HB ASP 32 HB1 ASP 32 66.924 -9.434 17.743 227 H GLY 33 HN GLY 33 68.583 -8.940 16.069 228 1HA GLY 33 HA2 GLY 33 70.241 -7.289 16.005 229 2HA GLY 33 HA1 GLY 33 69.364 -6.722 14.584 230 H GLY 34 HN GLY 34 70.399 -4.694 15.754 231 1HA GLY 34 HA2 GLY 34 68.777 -3.657 17.971 232 2HA GLY 34 HA1 GLY 34 70.099 -2.808 17.169 233 H GLY 35 HN GLY 35 67.937 -4.145 14.929 234 1HA GLY 35 HA2 GLY 35 65.865 -3.165 14.068 235 2HA GLY 35 HA1 GLY 35 66.335 -1.632 14.806 236 H ASP 36 HN ASP 36 68.524 -3.688 12.952 237 HA ASP 36 HA ASP 36 68.242 -2.163 10.495 238 1HB ASP 36 HB2 ASP 36 70.371 -1.010 10.544 239 2HB ASP 36 HB1 ASP 36 69.474 -0.556 11.994 240 H ILE 37 HN ILE 37 69.155 -3.309 8.803 241 HA ILE 37 HA ILE 37 70.648 -5.768 9.579 242 HB ILE 37 HB ILE 37 68.982 -6.655 8.322 243 1HG1 ILE 37 HG12 ILE 37 71.206 -6.699 6.916 244 2HG1 ILE 37 HG11 ILE 37 69.700 -7.246 6.193 245 1HG2 ILE 37 HG22 ILE 37 68.762 -3.919 7.081 246 2HG2 ILE 37 HG21 ILE 37 67.890 -5.294 6.404 247 3HG2 ILE 37 HG23 ILE 37 67.581 -4.783 8.064 248 1HD1 ILE 37 HD11 ILE 37 69.378 -5.004 5.184 249 2HD1 ILE 37 HD13 ILE 37 70.916 -4.484 5.877 250 3HD1 ILE 37 HD12 ILE 37 70.884 -5.751 4.650 251 H SER 38 HN SER 38 72.506 -6.362 8.323 252 HA SER 38 HA SER 38 74.156 -4.049 7.635 253 1HB SER 38 HB2 SER 38 74.569 -6.891 8.182 254 2HB SER 38 HB1 SER 38 75.549 -6.321 6.835 255 HG SER 38 HG SER 38 75.972 -5.959 9.403 256 H THR 39 HN THR 39 75.076 -3.641 5.545 257 HA THR 39 HA THR 39 73.294 -4.028 3.343 258 HB THR 39 HB THR 39 74.921 -2.924 2.015 259 HG1 THR 39 HG1 THR 39 76.725 -4.022 3.883 260 1HG2 THR 39 HG23 THR 39 74.483 -2.058 4.740 261 2HG2 THR 39 HG22 THR 39 76.063 -1.519 4.172 262 3HG2 THR 39 HG21 THR 39 74.607 -1.086 3.273 263 H LYS 40 HN LYS 40 75.738 -6.038 4.720 264 HA LYS 40 HA LYS 40 76.555 -7.567 2.482 265 1HB LYS 40 HB2 LYS 40 75.972 -8.759 5.202 266 2HB LYS 40 HB1 LYS 40 77.199 -9.257 4.038 267 1HG LYS 40 HG2 LYS 40 78.155 -6.865 4.332 268 2HG LYS 40 HG1 LYS 40 77.162 -6.802 5.788 269 1HD LYS 40 HD2 LYS 40 78.918 -9.190 5.340 270 2HD LYS 40 HD1 LYS 40 79.648 -7.690 5.915 271 1HE LYS 40 HE2 LYS 40 77.265 -8.095 7.416 272 2HE LYS 40 HE1 LYS 40 78.147 -9.622 7.411 273 1HZ LYS 40 HZ3 LYS 40 80.012 -7.592 7.771 274 2HZ LYS 40 HZ2 LYS 40 78.726 -7.263 8.832 275 3HZ LYS 40 HZ1 LYS 40 79.522 -8.763 8.896 276 H ALA 41 HN ALA 41 73.573 -7.613 4.346 277 HA ALA 41 HA ALA 41 72.597 -10.003 2.912 278 1HB ALA 41 HB2 ALA 41 72.023 -8.802 5.405 279 2HB ALA 41 HB1 ALA 41 70.561 -8.628 4.431 280 3HB ALA 41 HB3 ALA 41 71.254 -10.226 4.705 281 H LEU 42 HN LEU 42 72.477 -6.554 2.655 282 HA LEU 42 HA LEU 42 70.052 -6.014 1.422 283 1HB LEU 42 HB2 LEU 42 72.740 -4.872 1.311 284 2HB LEU 42 HB1 LEU 42 71.871 -4.667 -0.208 285 HG LEU 42 HG LEU 42 71.361 -2.765 1.190 286 1HD1 LEU 42 HD12 LEU 42 69.458 -4.374 0.068 287 2HD1 LEU 42 HD11 LEU 42 68.885 -4.280 1.734 288 3HD1 LEU 42 HD13 LEU 42 69.119 -2.804 0.796 289 1HD2 LEU 42 HD23 LEU 42 71.557 -4.707 3.273 290 2HD2 LEU 42 HD22 LEU 42 71.392 -2.960 3.432 291 3HD2 LEU 42 HD21 LEU 42 69.954 -3.979 3.364 292 H GLY 43 HN GLY 43 72.763 -7.838 0.124 293 1HA GLY 43 HA2 GLY 43 72.005 -7.877 -2.616 294 2HA GLY 43 HA1 GLY 43 72.918 -9.156 -1.813 295 H THR 44 HN THR 44 71.176 -10.165 0.012 296 HA THR 44 HA THR 44 69.390 -11.748 -1.581 297 HB THR 44 HB THR 44 69.638 -11.291 1.400 298 HG1 THR 44 HG1 THR 44 70.519 -13.333 1.314 299 1HG2 THR 44 HG21 THR 44 67.632 -12.905 -0.159 300 2HG2 THR 44 HG23 THR 44 68.138 -13.418 1.451 301 3HG2 THR 44 HG22 THR 44 67.363 -11.850 1.229 302 H VAL 45 HN VAL 45 68.965 -8.854 0.397 303 HA VAL 45 HA VAL 45 66.138 -8.704 0.395 304 HB VAL 45 HB VAL 45 68.162 -6.447 0.260 305 1HG1 VAL 45 HG13 VAL 45 65.210 -6.568 0.672 306 2HG1 VAL 45 HG12 VAL 45 66.126 -5.431 1.666 307 3HG1 VAL 45 HG11 VAL 45 66.187 -5.316 -0.095 308 1HG2 VAL 45 HG23 VAL 45 67.238 -8.286 2.391 309 2HG2 VAL 45 HG22 VAL 45 68.755 -7.400 2.252 310 3HG2 VAL 45 HG21 VAL 45 67.308 -6.582 2.837 311 H MET 46 HN MET 46 68.507 -7.759 -2.061 312 HA MET 46 HA MET 46 66.692 -6.354 -3.774 313 1HB MET 46 HB2 MET 46 69.195 -7.911 -4.493 314 2HB MET 46 HB1 MET 46 68.386 -6.735 -5.531 315 1HG MET 46 HG2 MET 46 68.954 -5.691 -2.851 316 2HG MET 46 HG1 MET 46 70.409 -6.156 -3.731 317 1HE MET 46 HE3 MET 46 69.951 -3.644 -2.664 318 2HE MET 46 HE2 MET 46 69.973 -2.324 -3.830 319 3HE MET 46 HE1 MET 46 68.440 -2.867 -3.154 320 H ARG 47 HN ARG 47 68.151 -9.491 -4.637 321 HA ARG 47 HA ARG 47 66.272 -10.288 -6.516 322 1HB ARG 47 HB2 ARG 47 67.668 -12.050 -4.478 323 2HB ARG 47 HB1 ARG 47 66.881 -12.631 -5.947 324 1HG ARG 47 HG2 ARG 47 68.814 -12.266 -7.044 325 2HG ARG 47 HG1 ARG 47 68.571 -10.539 -6.781 326 1HD ARG 47 HD2 ARG 47 70.785 -11.504 -5.934 327 2HD ARG 47 HD1 ARG 47 69.854 -10.562 -4.770 328 HE ARG 47 HE ARG 47 69.287 -12.610 -3.623 329 1HH1 ARG 47 HH11 ARG 47 69.401 -14.139 -6.371 330 2HH1 ARG 47 HH12 ARG 47 70.671 -15.262 -6.016 331 1HH2 ARG 47 HH21 ARG 47 71.727 -13.577 -3.176 332 2HH2 ARG 47 HH22 ARG 47 71.989 -14.944 -4.208 333 H MET 48 HN MET 48 65.888 -10.159 -3.051 334 HA MET 48 HA MET 48 63.650 -11.924 -2.801 335 1HB MET 48 HB2 MET 48 65.085 -10.106 -1.128 336 2HB MET 48 HB1 MET 48 63.366 -9.738 -0.980 337 1HG MET 48 HG2 MET 48 63.070 -12.317 -0.765 338 2HG MET 48 HG1 MET 48 64.795 -12.323 -0.396 339 1HE MET 48 HE3 MET 48 65.412 -12.699 1.374 340 2HE MET 48 HE2 MET 48 65.495 -11.496 2.658 341 3HE MET 48 HE1 MET 48 64.401 -12.867 2.816 342 H LEU 49 HN LEU 49 63.507 -8.342 -2.691 343 HA LEU 49 HA LEU 49 60.770 -8.049 -3.099 344 1HB LEU 49 HB2 LEU 49 62.722 -6.251 -4.532 345 2HB LEU 49 HB1 LEU 49 61.189 -5.825 -3.775 346 HG LEU 49 HG LEU 49 63.804 -6.519 -2.432 347 1HD1 LEU 49 HD11 LEU 49 62.797 -4.121 -3.181 348 2HD1 LEU 49 HD13 LEU 49 62.059 -4.271 -1.586 349 3HD1 LEU 49 HD12 LEU 49 63.814 -4.333 -1.755 350 1HD2 LEU 49 HD21 LEU 49 61.895 -7.782 -1.383 351 2HD2 LEU 49 HD23 LEU 49 62.636 -6.599 -0.305 352 3HD2 LEU 49 HD22 LEU 49 61.099 -6.237 -1.090 353 H GLY 50 HN GLY 50 63.248 -8.129 -5.689 354 1HA GLY 50 HA2 GLY 50 62.278 -9.856 -7.493 355 2HA GLY 50 HA1 GLY 50 61.104 -8.553 -7.684 356 H GLN 51 HN GLN 51 64.620 -8.383 -7.097 357 HA GLN 51 HA GLN 51 65.091 -7.411 -9.831 358 1HB GLN 51 HB2 GLN 51 65.854 -5.218 -9.218 359 2HB GLN 51 HB1 GLN 51 64.261 -5.418 -8.487 360 1HG GLN 51 HG2 GLN 51 65.385 -6.135 -6.366 361 2HG GLN 51 HG1 GLN 51 66.938 -5.749 -7.107 362 1HE2 GLN 51 HE22 GLN 51 66.372 -2.193 -7.012 363 2HE2 GLN 51 HE21 GLN 51 67.170 -3.406 -7.893 364 H ASN 52 HN ASN 52 67.145 -7.968 -10.438 365 HA ASN 52 HA ASN 52 69.116 -8.550 -8.267 366 1HB ASN 52 HB2 ASN 52 69.119 -10.125 -10.823 367 2HB ASN 52 HB1 ASN 52 69.714 -10.588 -9.228 368 1HD2 ASN 52 HD22 ASN 52 66.323 -12.178 -10.039 369 2HD2 ASN 52 HD21 ASN 52 67.723 -12.021 -10.988 370 HA PRO 53 HA PRO 53 71.005 -5.601 -11.191 371 1HB PRO 53 HB2 PRO 53 72.232 -4.136 -9.215 372 2HB PRO 53 HB1 PRO 53 70.572 -3.843 -9.763 373 1HG PRO 53 HG2 PRO 53 71.517 -5.131 -7.245 374 2HG PRO 53 HG1 PRO 53 70.003 -4.268 -7.564 375 1HD PRO 53 HD2 PRO 53 70.318 -7.081 -7.449 376 2HD PRO 53 HD1 PRO 53 68.905 -6.212 -8.085 377 H THR 54 HN THR 54 73.513 -4.799 -10.953 378 HA THR 54 HA THR 54 75.061 -7.308 -10.713 379 HB THR 54 HB THR 54 76.916 -5.705 -11.608 380 HG1 THR 54 HG1 THR 54 75.394 -3.886 -11.075 381 1HG2 THR 54 HG22 THR 54 74.554 -6.875 -12.965 382 2HG2 THR 54 HG21 THR 54 75.489 -5.714 -13.908 383 3HG2 THR 54 HG23 THR 54 76.272 -7.153 -13.253 384 H LYS 55 HN LYS 55 76.594 -7.656 -9.129 385 HA LYS 55 HA LYS 55 76.493 -6.324 -6.661 386 1HB LYS 55 HB2 LYS 55 77.585 -8.531 -7.031 387 2HB LYS 55 HB1 LYS 55 78.912 -7.713 -7.856 388 1HG LYS 55 HG2 LYS 55 78.823 -6.271 -5.559 389 2HG LYS 55 HG1 LYS 55 78.275 -7.837 -4.962 390 1HD LYS 55 HD2 LYS 55 80.602 -8.024 -4.762 391 2HD LYS 55 HD1 LYS 55 80.304 -8.774 -6.331 392 1HE LYS 55 HE2 LYS 55 80.978 -6.806 -7.506 393 2HE LYS 55 HE1 LYS 55 80.951 -5.834 -6.035 394 1HZ LYS 55 HZ1 LYS 55 82.770 -8.136 -6.484 395 2HZ LYS 55 HZ3 LYS 55 83.204 -6.516 -6.736 396 3HZ LYS 55 HZ2 LYS 55 82.798 -7.054 -5.176 397 H GLU 56 HN GLU 56 78.062 -5.365 -9.595 398 HA GLU 56 HA GLU 56 80.062 -3.631 -8.505 399 1HB GLU 56 HB2 GLU 56 78.746 -4.024 -11.126 400 2HB GLU 56 HB1 GLU 56 79.388 -2.406 -10.844 401 1HG GLU 56 HG2 GLU 56 81.378 -3.274 -11.495 402 2HG GLU 56 HG1 GLU 56 81.416 -4.020 -9.896 403 H GLU 57 HN GLU 57 77.009 -2.588 -10.062 404 HA GLU 57 HA GLU 57 77.056 0.009 -8.870 405 1HB GLU 57 HB2 GLU 57 75.276 -1.532 -10.565 406 2HB GLU 57 HB1 GLU 57 74.360 -0.630 -9.355 407 1HG GLU 57 HG2 GLU 57 75.248 1.448 -10.064 408 2HG GLU 57 HG1 GLU 57 76.559 0.677 -10.957 409 H LEU 58 HN LEU 58 76.305 -3.049 -7.548 410 HA LEU 58 HA LEU 58 74.357 -2.222 -5.582 411 1HB LEU 58 HB2 LEU 58 75.368 -4.640 -6.400 412 2HB LEU 58 HB1 LEU 58 76.157 -4.439 -4.837 413 HG LEU 58 HG LEU 58 73.957 -5.597 -4.653 414 1HD1 LEU 58 HD12 LEU 58 74.497 -2.947 -3.360 415 2HD1 LEU 58 HD11 LEU 58 72.968 -3.761 -3.024 416 3HD1 LEU 58 HD13 LEU 58 74.495 -4.557 -2.643 417 1HD2 LEU 58 HD23 LEU 58 73.117 -3.882 -6.577 418 2HD2 LEU 58 HD22 LEU 58 72.012 -4.710 -5.481 419 3HD2 LEU 58 HD21 LEU 58 72.507 -3.052 -5.146 420 H ASP 59 HN ASP 59 77.899 -2.720 -5.418 421 HA ASP 59 HA ASP 59 78.196 -1.943 -2.695 422 1HB ASP 59 HB2 ASP 59 79.900 -2.897 -4.559 423 2HB ASP 59 HB1 ASP 59 80.356 -1.193 -4.598 424 H ALA 60 HN ALA 60 78.531 0.020 -5.674 425 HA ALA 60 HA ALA 60 79.075 2.487 -4.368 426 1HB ALA 60 HB1 ALA 60 78.971 1.742 -6.956 427 2HB ALA 60 HB3 ALA 60 77.407 2.547 -6.835 428 3HB ALA 60 HB2 ALA 60 78.887 3.431 -6.456 429 H ILE 61 HN ILE 61 76.047 0.817 -5.038 430 HA ILE 61 HA ILE 61 74.288 2.996 -4.424 431 HB ILE 61 HB ILE 61 74.001 -0.007 -4.438 432 1HG1 ILE 61 HG12 ILE 61 72.574 2.143 -6.023 433 2HG1 ILE 61 HG11 ILE 61 74.084 1.402 -6.552 434 1HG2 ILE 61 HG22 ILE 61 72.259 1.981 -3.133 435 2HG2 ILE 61 HG21 ILE 61 71.427 0.928 -4.279 436 3HG2 ILE 61 HG23 ILE 61 72.321 0.229 -2.929 437 1HD1 ILE 61 HD13 ILE 61 71.989 -0.511 -5.724 438 2HD1 ILE 61 HD12 ILE 61 71.610 0.425 -7.169 439 3HD1 ILE 61 HD11 ILE 61 73.072 -0.559 -7.116 440 H ILE 62 HN ILE 62 75.273 0.208 -2.398 441 HA ILE 62 HA ILE 62 74.065 0.979 0.002 442 HB ILE 62 HB ILE 62 76.721 -0.393 -0.485 443 1HG1 ILE 62 HG12 ILE 62 74.249 -1.687 0.609 444 2HG1 ILE 62 HG11 ILE 62 74.315 -1.329 -1.116 445 1HG2 ILE 62 HG21 ILE 62 75.226 0.209 2.063 446 2HG2 ILE 62 HG23 ILE 62 76.264 -1.211 1.936 447 3HG2 ILE 62 HG22 ILE 62 76.945 0.402 1.722 448 1HD1 ILE 62 HD11 ILE 62 76.755 -2.580 -0.009 449 2HD1 ILE 62 HD13 ILE 62 75.321 -3.607 -0.001 450 3HD1 ILE 62 HD12 ILE 62 75.901 -2.917 -1.516 451 H GLU 63 HN GLU 63 76.992 2.240 -1.500 452 HA GLU 63 HA GLU 63 77.987 3.674 0.772 453 1HB GLU 63 HB2 GLU 63 78.307 4.042 -2.210 454 2HB GLU 63 HB1 GLU 63 79.073 5.131 -1.053 455 1HG GLU 63 HG2 GLU 63 80.017 3.021 0.067 456 2HG GLU 63 HG1 GLU 63 79.522 2.163 -1.393 457 H GLU 64 HN GLU 64 76.055 4.846 -2.013 458 HA GLU 64 HA GLU 64 75.592 7.438 -0.853 459 1HB GLU 64 HB2 GLU 64 74.010 5.939 -2.965 460 2HB GLU 64 HB1 GLU 64 73.854 7.659 -2.605 461 1HG GLU 64 HG2 GLU 64 76.488 6.393 -3.384 462 2HG GLU 64 HG1 GLU 64 75.375 7.079 -4.568 463 H VAL 65 HN VAL 65 74.300 4.367 -0.138 464 HA VAL 65 HA VAL 65 71.701 5.364 0.799 465 HB VAL 65 HB VAL 65 73.057 2.673 1.159 466 1HG1 VAL 65 HG13 VAL 65 71.260 3.384 2.860 467 2HG1 VAL 65 HG12 VAL 65 70.126 3.323 1.510 468 3HG1 VAL 65 HG11 VAL 65 70.987 1.866 2.005 469 1HG2 VAL 65 HG23 VAL 65 72.309 3.601 -1.191 470 2HG2 VAL 65 HG22 VAL 65 71.886 1.953 -0.730 471 3HG2 VAL 65 HG21 VAL 65 70.686 3.239 -0.600 472 H ASP 66 HN ASP 66 74.809 4.397 2.210 473 HA ASP 66 HA ASP 66 73.867 4.736 4.950 474 1HB ASP 66 HB2 ASP 66 76.339 3.914 3.604 475 2HB ASP 66 HB1 ASP 66 76.634 4.909 5.030 476 H GLU 67 HN GLU 67 72.992 6.916 4.831 477 HA GLU 67 HA GLU 67 74.577 9.179 4.038 478 1HB GLU 67 HB2 GLU 67 72.877 10.482 5.387 479 2HB GLU 67 HB1 GLU 67 72.179 9.420 4.164 480 1HG GLU 67 HG2 GLU 67 70.933 8.518 5.816 481 2HG GLU 67 HG1 GLU 67 72.423 7.793 6.421 482 H ASP 68 HN ASP 68 74.138 7.488 7.115 483 HA ASP 68 HA ASP 68 75.905 9.438 8.474 484 1HB ASP 68 HB2 ASP 68 75.445 7.866 10.465 485 2HB ASP 68 HB1 ASP 68 74.076 8.790 9.844 486 H GLY 69 HN GLY 69 76.264 6.684 6.615 487 1HA GLY 69 HA2 GLY 69 78.004 5.123 6.367 488 2HA GLY 69 HA1 GLY 69 79.034 6.434 6.944 489 H SER 70 HN SER 70 76.442 4.845 8.768 490 HA SER 70 HA SER 70 78.204 4.449 11.039 491 1HB SER 70 HB2 SER 70 76.109 2.982 11.749 492 2HB SER 70 HB1 SER 70 76.013 4.741 11.740 493 HG SER 70 HG SER 70 74.482 4.496 10.333 494 H GLY 71 HN GLY 71 77.300 2.557 8.271 495 1HA GLY 71 HA2 GLY 71 78.761 0.666 7.659 496 2HA GLY 71 HA1 GLY 71 78.908 0.295 9.378 497 H THR 72 HN THR 72 75.757 1.227 8.546 498 HA THR 72 HA THR 72 74.875 -1.513 7.867 499 HB THR 72 HB THR 72 73.090 -0.831 9.879 500 HG1 THR 72 HG1 THR 72 74.302 0.695 10.816 501 1HG2 THR 72 HG22 THR 72 75.352 -2.727 9.525 502 2HG2 THR 72 HG21 THR 72 74.736 -2.532 11.166 503 3HG2 THR 72 HG23 THR 72 73.654 -3.051 9.875 504 H ILE 73 HN ILE 73 72.332 -1.436 7.685 505 HA ILE 73 HA ILE 73 71.579 1.212 6.511 506 HB ILE 73 HB ILE 73 70.737 -1.544 5.565 507 1HG1 ILE 73 HG12 ILE 73 73.160 -0.792 5.137 508 2HG1 ILE 73 HG11 ILE 73 72.213 -1.242 3.719 509 1HG2 ILE 73 HG22 ILE 73 69.040 0.246 5.249 510 2HG2 ILE 73 HG21 ILE 73 70.239 1.204 4.379 511 3HG2 ILE 73 HG23 ILE 73 69.687 -0.334 3.715 512 1HD1 ILE 73 HD11 ILE 73 71.916 1.585 4.434 513 2HD1 ILE 73 HD13 ILE 73 73.577 1.145 4.040 514 3HD1 ILE 73 HD12 ILE 73 72.289 0.855 2.871 515 H ASP 74 HN ASP 74 69.565 2.000 7.092 516 HA ASP 74 HA ASP 74 67.950 0.277 8.932 517 1HB ASP 74 HB2 ASP 74 68.521 3.244 8.958 518 2HB ASP 74 HB1 ASP 74 67.129 2.568 9.806 519 H PHE 75 HN PHE 75 65.552 1.013 8.921 520 HA PHE 75 HA PHE 75 64.448 0.694 6.354 521 1HB PHE 75 HB2 PHE 75 63.308 0.590 8.695 522 2HB PHE 75 HB1 PHE 75 63.026 2.315 8.455 523 HD1 PHE 75 HD2 PHE 75 62.997 -0.613 6.111 524 HD2 PHE 75 HD1 PHE 75 60.804 2.661 7.819 525 HE1 PHE 75 HE2 PHE 75 61.072 -1.131 4.634 526 HE2 PHE 75 HE1 PHE 75 58.879 2.144 6.343 527 HZ PHE 75 HZ PHE 75 59.013 0.247 4.751 528 H GLU 76 HN GLU 76 65.243 3.688 8.092 529 HA GLU 76 HA GLU 76 64.068 5.538 6.304 530 1HB GLU 76 HB2 GLU 76 66.663 5.835 7.847 531 2HB GLU 76 HB1 GLU 76 65.711 7.156 7.171 532 1HG GLU 76 HG2 GLU 76 64.440 5.188 9.060 533 2HG GLU 76 HG1 GLU 76 65.382 6.542 9.686 534 H GLU 77 HN GLU 77 67.469 4.394 6.317 535 HA GLU 77 HA GLU 77 68.013 5.593 3.735 536 1HB GLU 77 HB2 GLU 77 69.557 3.385 5.121 537 2HB GLU 77 HB1 GLU 77 70.160 4.490 3.886 538 1HG GLU 77 HG2 GLU 77 70.046 6.361 5.352 539 2HG GLU 77 HG1 GLU 77 69.063 5.477 6.521 540 H PHE 78 HN PHE 78 66.348 2.798 4.675 541 HA PHE 78 HA PHE 78 67.070 1.022 2.529 542 1HB PHE 78 HB2 PHE 78 65.388 0.924 4.767 543 2HB PHE 78 HB1 PHE 78 64.301 0.762 3.387 544 HD1 PHE 78 HD2 PHE 78 64.645 -1.053 1.723 545 HD2 PHE 78 HD1 PHE 78 66.981 -0.791 5.316 546 HE1 PHE 78 HE2 PHE 78 65.378 -3.404 1.418 547 HE2 PHE 78 HE1 PHE 78 67.715 -3.142 5.013 548 HZ PHE 78 HZ PHE 78 66.912 -4.447 3.063 549 H LEU 79 HN LEU 79 64.070 2.926 2.956 550 HA LEU 79 HA LEU 79 62.970 2.650 0.430 551 1HB LEU 79 HB2 LEU 79 63.130 5.238 2.010 552 2HB LEU 79 HB1 LEU 79 61.963 4.879 0.738 553 HG LEU 79 HG LEU 79 62.244 3.132 3.189 554 1HD1 LEU 79 HD13 LEU 79 60.834 5.740 2.823 555 2HD1 LEU 79 HD12 LEU 79 59.999 4.476 3.726 556 3HD1 LEU 79 HD11 LEU 79 61.573 5.056 4.272 557 1HD2 LEU 79 HD23 LEU 79 60.142 3.542 1.047 558 2HD2 LEU 79 HD22 LEU 79 61.060 2.074 1.384 559 3HD2 LEU 79 HD21 LEU 79 59.838 2.632 2.528 560 H VAL 80 HN VAL 80 65.834 4.437 1.328 561 HA VAL 80 HA VAL 80 66.041 6.006 -1.090 562 HB VAL 80 HB VAL 80 68.073 5.142 0.983 563 1HG1 VAL 80 HG11 VAL 80 68.402 6.504 -1.640 564 2HG1 VAL 80 HG13 VAL 80 69.259 7.220 -0.274 565 3HG1 VAL 80 HG12 VAL 80 69.557 5.540 -0.718 566 1HG2 VAL 80 HG23 VAL 80 66.613 7.726 0.363 567 2HG2 VAL 80 HG22 VAL 80 66.479 6.747 1.824 568 3HG2 VAL 80 HG21 VAL 80 67.971 7.623 1.484 569 H MET 81 HN MET 81 67.670 2.997 -0.031 570 HA MET 81 HA MET 81 69.124 2.514 -2.402 571 1HB MET 81 HB2 MET 81 69.169 1.241 -0.143 572 2HB MET 81 HB1 MET 81 67.846 0.286 -0.817 573 1HG MET 81 HG2 MET 81 69.232 -0.330 -2.738 574 2HG MET 81 HG1 MET 81 70.546 0.682 -2.141 575 1HE MET 81 HE2 MET 81 70.918 0.724 0.273 576 2HE MET 81 HE1 MET 81 70.356 -0.493 1.417 577 3HE MET 81 HE3 MET 81 71.981 -0.606 0.727 578 H MET 82 HN MET 82 65.731 1.927 -1.659 579 HA MET 82 HA MET 82 65.162 0.220 -3.892 580 1HB MET 82 HB2 MET 82 63.341 2.153 -2.425 581 2HB MET 82 HB1 MET 82 62.806 0.864 -3.503 582 1HG MET 82 HG2 MET 82 64.553 0.310 -1.102 583 2HG MET 82 HG1 MET 82 62.794 0.335 -0.991 584 1HE MET 82 HE3 MET 82 65.785 -1.242 -1.438 585 2HE MET 82 HE2 MET 82 65.485 -2.906 -1.939 586 3HE MET 82 HE1 MET 82 65.802 -1.670 -3.154 587 H VAL 83 HN VAL 83 64.244 3.663 -3.520 588 HA VAL 83 HA VAL 83 63.721 4.037 -6.306 589 HB VAL 83 HB VAL 83 64.597 6.238 -4.435 590 1HG1 VAL 83 HG11 VAL 83 64.141 6.767 -6.824 591 2HG1 VAL 83 HG13 VAL 83 62.517 6.101 -6.641 592 3HG1 VAL 83 HG12 VAL 83 62.986 7.544 -5.740 593 1HG2 VAL 83 HG22 VAL 83 62.221 4.458 -4.298 594 2HG2 VAL 83 HG21 VAL 83 63.009 5.383 -3.019 595 3HG2 VAL 83 HG23 VAL 83 61.903 6.186 -4.133 596 H ARG 84 HN ARG 84 66.667 3.731 -4.625 597 HA ARG 84 HA ARG 84 68.314 5.477 -6.212 598 1HB ARG 84 HB2 ARG 84 68.717 3.901 -3.985 599 2HB ARG 84 HB1 ARG 84 69.616 3.032 -5.230 600 1HG ARG 84 HG2 ARG 84 71.267 4.550 -5.091 601 2HG ARG 84 HG1 ARG 84 70.136 5.813 -5.579 602 1HD ARG 84 HD2 ARG 84 69.365 5.790 -3.105 603 2HD ARG 84 HD1 ARG 84 70.868 4.922 -2.793 604 HE ARG 84 HE ARG 84 71.783 7.097 -2.789 605 1HH1 ARG 84 HH11 ARG 84 72.029 6.827 -5.779 606 2HH1 ARG 84 HH12 ARG 84 71.264 8.279 -6.330 607 1HH2 ARG 84 HH21 ARG 84 69.700 8.918 -3.302 608 2HH2 ARG 84 HH22 ARG 84 69.943 9.463 -4.928 609 H GLN 85 HN GLN 85 66.986 2.292 -6.771 610 HA GLN 85 HA GLN 85 68.642 2.103 -9.246 611 1HB GLN 85 HB2 GLN 85 69.192 0.173 -8.079 612 2HB GLN 85 HB1 GLN 85 67.615 0.067 -7.305 613 1HG GLN 85 HG2 GLN 85 67.817 -1.724 -8.936 614 2HG GLN 85 HG1 GLN 85 66.624 -0.559 -9.509 615 1HE2 GLN 85 HE22 GLN 85 68.722 -1.092 -12.460 616 2HE2 GLN 85 HE21 GLN 85 67.481 -1.877 -11.608 617 H MET 86 HN MET 86 65.371 1.638 -7.905 618 HA MET 86 HA MET 86 64.149 0.970 -10.418 619 1HB MET 86 HB2 MET 86 62.069 1.206 -9.302 620 2HB MET 86 HB1 MET 86 63.187 0.666 -8.050 621 1HG MET 86 HG2 MET 86 62.597 2.480 -6.852 622 2HG MET 86 HG1 MET 86 63.405 3.467 -8.069 623 1HE MET 86 HE3 MET 86 60.401 1.569 -7.013 624 2HE MET 86 HE2 MET 86 60.068 3.117 -6.236 625 3HE MET 86 HE1 MET 86 58.997 2.527 -7.505 626 H LYS 87 HN LYS 87 65.402 3.918 -9.245 627 HA LYS 87 HA LYS 87 63.635 5.830 -10.360 628 1HB LYS 87 HB2 LYS 87 66.154 5.890 -9.155 629 2HB LYS 87 HB1 LYS 87 66.433 6.541 -10.770 630 1HG LYS 87 HG2 LYS 87 64.909 8.301 -10.463 631 2HG LYS 87 HG1 LYS 87 64.090 7.484 -9.131 632 1HD LYS 87 HD2 LYS 87 65.440 8.496 -7.647 633 2HD LYS 87 HD1 LYS 87 66.858 7.817 -8.447 634 1HE LYS 87 HE2 LYS 87 66.943 10.290 -8.413 635 2HE LYS 87 HE1 LYS 87 66.854 9.672 -10.062 636 1HZ LYS 87 HZ1 LYS 87 64.320 10.205 -8.739 637 2HZ LYS 87 HZ3 LYS 87 65.251 11.564 -9.136 638 3HZ LYS 87 HZ2 LYS 87 64.783 10.472 -10.350 639 H GLU 88 HN GLU 88 66.456 4.233 -11.874 640 HA GLU 88 HA GLU 88 67.053 4.080 -14.145 641 1HB GLU 88 HB2 GLU 88 64.039 3.779 -14.226 642 2HB GLU 88 HB1 GLU 88 65.073 3.510 -15.629 643 1HG GLU 88 HG2 GLU 88 66.210 1.698 -14.566 644 2HG GLU 88 HG1 GLU 88 65.519 2.097 -12.992 645 H ASP 89 HN ASP 89 66.691 6.782 -13.109 646 HA ASP 89 HA ASP 89 65.713 8.151 -15.585 647 1HB ASP 89 HB2 ASP 89 65.021 8.575 -12.870 648 2HB ASP 89 HB1 ASP 89 66.018 9.948 -13.353 649 H ALA 90 HN ALA 90 68.398 7.035 -15.163 650 HA ALA 90 HA ALA 90 69.952 9.270 -16.064 651 1HB ALA 90 HB2 ALA 90 69.662 9.160 -13.265 652 2HB ALA 90 HB1 ALA 90 71.273 8.526 -13.593 653 3HB ALA 90 HB3 ALA 90 70.823 10.130 -14.170 No H/Q in entry = 653 Start of MODEL 12 1 1H ALA 1 HT1 ALA 1 68.004 18.272 11.413 2 2H ALA 1 HT3 ALA 1 69.442 19.154 11.240 3 3H ALA 1 HT2 ALA 1 68.484 18.821 9.877 4 HA ALA 1 HA ALA 1 70.207 17.291 9.707 5 1HB ALA 1 HB3 ALA 1 70.773 17.807 12.239 6 2HB ALA 1 HB2 ALA 1 69.837 16.339 12.528 7 3HB ALA 1 HB1 ALA 1 71.277 16.282 11.510 8 H SER 2 HN SER 2 70.044 14.763 9.926 9 HA SER 2 HA SER 2 68.746 12.850 9.525 10 1HB SER 2 HB2 SER 2 67.106 14.375 11.531 11 2HB SER 2 HB1 SER 2 66.442 12.926 10.782 12 HG SER 2 HG SER 2 69.050 12.899 11.829 13 H MET 3 HN MET 3 66.589 12.173 8.499 14 HA MET 3 HA MET 3 65.196 12.402 6.618 15 1HB MET 3 HB2 MET 3 64.506 14.370 8.571 16 2HB MET 3 HB1 MET 3 64.345 15.110 6.977 17 1HG MET 3 HG2 MET 3 62.419 13.993 6.664 18 2HG MET 3 HG1 MET 3 63.293 12.468 6.800 19 1HE MET 3 HE2 MET 3 63.324 11.045 8.205 20 2HE MET 3 HE1 MET 3 63.715 11.451 9.874 21 3HE MET 3 HE3 MET 3 62.131 10.775 9.473 22 H THR 4 HN THR 4 67.938 13.029 6.139 23 HA THR 4 HA THR 4 68.500 15.470 4.891 24 HB THR 4 HB THR 4 70.067 14.138 3.429 25 HG1 THR 4 HG1 THR 4 68.555 12.098 4.610 26 1HG2 THR 4 HG23 THR 4 69.968 13.620 6.406 27 2HG2 THR 4 HG22 THR 4 71.344 13.170 5.401 28 3HG2 THR 4 HG21 THR 4 70.886 14.866 5.560 29 H ASP 5 HN ASP 5 68.746 15.705 2.389 30 HA ASP 5 HA ASP 5 66.104 15.585 1.243 31 1HB ASP 5 HB2 ASP 5 68.827 16.373 0.262 32 2HB ASP 5 HB1 ASP 5 67.530 16.142 -0.912 33 H GLN 6 HN GLN 6 68.916 13.488 1.096 34 HA GLN 6 HA GLN 6 68.305 11.990 -1.221 35 1HB GLN 6 HB2 GLN 6 69.868 11.558 1.245 36 2HB GLN 6 HB1 GLN 6 69.300 10.081 0.467 37 1HG GLN 6 HG2 GLN 6 70.245 11.850 -1.571 38 2HG GLN 6 HG1 GLN 6 71.480 11.747 -0.314 39 1HE2 GLN 6 HE22 GLN 6 72.310 8.381 -1.033 40 2HE2 GLN 6 HE21 GLN 6 72.554 9.708 -0.003 41 H GLN 7 HN GLN 7 67.186 11.505 2.136 42 HA GLN 7 HA GLN 7 65.471 9.270 1.371 43 1HB GLN 7 HB2 GLN 7 65.644 10.929 3.904 44 2HB GLN 7 HB1 GLN 7 64.601 9.520 3.717 45 1HG GLN 7 HG2 GLN 7 66.434 8.043 3.505 46 2HG GLN 7 HG1 GLN 7 67.559 9.354 3.149 47 1HE2 GLN 7 HE22 GLN 7 68.487 9.495 6.535 48 2HE2 GLN 7 HE21 GLN 7 68.966 9.505 4.907 49 H ALA 8 HN ALA 8 65.201 12.709 1.395 50 HA ALA 8 HA ALA 8 62.326 12.875 1.666 51 1HB ALA 8 HB3 ALA 8 64.300 14.719 1.737 52 2HB ALA 8 HB2 ALA 8 63.759 14.937 0.072 53 3HB ALA 8 HB1 ALA 8 62.619 15.135 1.403 54 H GLU 9 HN GLU 9 64.536 12.425 -1.047 55 HA GLU 9 HA GLU 9 62.488 12.812 -3.076 56 1HB GLU 9 HB2 GLU 9 65.017 13.047 -3.396 57 2HB GLU 9 HB1 GLU 9 65.076 11.284 -3.412 58 1HG GLU 9 HG2 GLU 9 64.565 11.364 -5.604 59 2HG GLU 9 HG1 GLU 9 62.971 11.966 -5.146 60 H ALA 10 HN ALA 10 64.163 9.916 -1.790 61 HA ALA 10 HA ALA 10 62.760 7.960 -3.234 62 1HB ALA 10 HB1 ALA 10 64.163 8.047 -0.619 63 2HB ALA 10 HB3 ALA 10 63.032 6.712 -0.843 64 3HB ALA 10 HB2 ALA 10 64.371 6.935 -1.971 65 H ARG 11 HN ARG 11 61.952 8.826 0.147 66 HA ARG 11 HA ARG 11 59.420 7.618 0.212 67 1HB ARG 11 HB2 ARG 11 60.906 9.421 1.851 68 2HB ARG 11 HB1 ARG 11 59.274 10.067 1.684 69 1HG ARG 11 HG2 ARG 11 58.282 8.117 2.575 70 2HG ARG 11 HG1 ARG 11 59.738 7.155 2.316 71 1HD ARG 11 HD2 ARG 11 59.261 7.917 4.729 72 2HD ARG 11 HD1 ARG 11 60.885 8.205 4.107 73 HE ARG 11 HE ARG 11 59.429 10.524 3.509 74 1HH1 ARG 11 HH21 ARG 11 58.388 9.341 6.273 75 2HH1 ARG 11 HH22 ARG 11 59.241 10.394 7.350 76 1HH2 ARG 11 HH11 ARG 11 61.366 11.613 4.896 77 2HH2 ARG 11 HH12 ARG 11 60.928 11.681 6.570 78 H ALA 12 HN ALA 12 60.363 10.740 -1.131 79 HA ALA 12 HA ALA 12 57.780 11.875 -1.450 80 1HB ALA 12 HB2 ALA 12 60.456 12.271 -2.642 81 2HB ALA 12 HB1 ALA 12 59.108 12.781 -3.659 82 3HB ALA 12 HB3 ALA 12 59.303 13.464 -2.044 83 H PHE 13 HN PHE 13 59.620 9.693 -3.582 84 HA PHE 13 HA PHE 13 57.363 9.573 -5.478 85 1HB PHE 13 HB2 PHE 13 59.558 9.548 -6.470 86 2HB PHE 13 HB1 PHE 13 60.083 8.239 -5.410 87 HD1 PHE 13 HD1 PHE 13 57.745 9.104 -8.175 88 HD2 PHE 13 HD2 PHE 13 59.638 5.962 -5.943 89 HE1 PHE 13 HE1 PHE 13 56.925 7.441 -9.823 90 HE2 PHE 13 HE2 PHE 13 58.819 4.298 -7.589 91 HZ PHE 13 HZ PHE 13 57.463 5.037 -9.529 92 H LEU 14 HN LEU 14 58.294 8.014 -2.621 93 HA LEU 14 HA LEU 14 57.009 5.447 -3.360 94 1HB LEU 14 HB2 LEU 14 58.423 6.379 -0.846 95 2HB LEU 14 HB1 LEU 14 57.686 4.786 -1.022 96 HG LEU 14 HG LEU 14 59.906 5.931 -2.743 97 1HD1 LEU 14 HD13 LEU 14 60.607 5.183 -0.484 98 2HD1 LEU 14 HD12 LEU 14 59.864 3.612 -0.786 99 3HD1 LEU 14 HD11 LEU 14 61.251 4.131 -1.744 100 1HD2 LEU 14 HD23 LEU 14 58.054 3.636 -3.056 101 2HD2 LEU 14 HD22 LEU 14 58.945 4.539 -4.282 102 3HD2 LEU 14 HD21 LEU 14 59.756 3.282 -3.348 103 H SER 15 HN SER 15 55.059 4.755 -2.436 104 HA SER 15 HA SER 15 53.459 6.911 -1.149 105 1HB SER 15 HB2 SER 15 52.240 4.312 -1.973 106 2HB SER 15 HB1 SER 15 51.576 5.941 -2.068 107 HG SER 15 HG SER 15 53.125 6.324 -3.755 108 H GLU 16 HN GLU 16 52.341 6.492 0.825 109 HA GLU 16 HA GLU 16 53.697 5.016 2.795 110 1HB GLU 16 HB2 GLU 16 50.953 6.160 2.548 111 2HB GLU 16 HB1 GLU 16 51.227 4.994 3.842 112 1HG GLU 16 HG2 GLU 16 52.044 6.741 5.029 113 2HG GLU 16 HG1 GLU 16 53.464 6.619 3.991 114 H GLU 17 HN GLU 17 51.295 3.956 0.469 115 HA GLU 17 HA GLU 17 50.670 1.449 1.752 116 1HB GLU 17 HB2 GLU 17 49.540 2.760 -0.286 117 2HB GLU 17 HB1 GLU 17 50.582 1.689 -1.225 118 1HG GLU 17 HG2 GLU 17 49.402 -0.178 -0.649 119 2HG GLU 17 HG1 GLU 17 49.101 0.396 0.991 120 H MET 18 HN MET 18 53.069 2.411 -0.695 121 HA MET 18 HA MET 18 54.057 -0.276 -1.110 122 1HB MET 18 HB2 MET 18 55.389 2.402 -1.620 123 2HB MET 18 HB1 MET 18 55.954 0.849 -2.237 124 1HG MET 18 HG2 MET 18 53.603 0.600 -3.261 125 2HG MET 18 HG1 MET 18 53.415 2.323 -2.937 126 1HE MET 18 HE1 MET 18 53.418 3.635 -4.897 127 2HE MET 18 HE3 MET 18 54.127 3.160 -6.447 128 3HE MET 18 HE2 MET 18 52.923 2.132 -5.672 129 H ILE 19 HN ILE 19 55.471 2.520 0.637 130 HA ILE 19 HA ILE 19 57.707 1.322 1.746 131 HB ILE 19 HB ILE 19 55.758 3.257 3.020 132 1HG1 ILE 19 HG12 ILE 19 58.441 4.191 2.389 133 2HG1 ILE 19 HG11 ILE 19 57.648 3.521 0.963 134 1HG2 ILE 19 HG22 ILE 19 58.454 2.264 3.980 135 2HG2 ILE 19 HG21 ILE 19 57.707 3.751 4.567 136 3HG2 ILE 19 HG23 ILE 19 56.916 2.198 4.843 137 1HD1 ILE 19 HD11 ILE 19 55.657 4.943 1.449 138 2HD1 ILE 19 HD13 ILE 19 56.536 5.666 2.795 139 3HD1 ILE 19 HD12 ILE 19 57.109 5.895 1.143 140 H ALA 20 HN ALA 20 54.341 0.889 2.742 141 HA ALA 20 HA ALA 20 54.873 -0.542 5.165 142 1HB ALA 20 HB2 ALA 20 52.573 0.090 3.527 143 2HB ALA 20 HB1 ALA 20 52.505 -1.594 4.047 144 3HB ALA 20 HB3 ALA 20 52.633 -0.306 5.245 145 H GLU 21 HN GLU 21 54.235 -1.704 1.843 146 HA GLU 21 HA GLU 21 54.479 -4.479 2.413 147 1HB GLU 21 HB2 GLU 21 54.899 -2.820 -0.066 148 2HB GLU 21 HB1 GLU 21 55.246 -4.550 -0.078 149 1HG GLU 21 HG2 GLU 21 52.980 -5.080 0.562 150 2HG GLU 21 HG1 GLU 21 52.605 -3.377 0.831 151 H PHE 22 HN PHE 22 56.929 -2.027 1.673 152 HA PHE 22 HA PHE 22 59.124 -3.878 1.446 153 1HB PHE 22 HB2 PHE 22 59.293 -0.989 2.332 154 2HB PHE 22 HB1 PHE 22 60.542 -1.943 1.536 155 HD1 PHE 22 HD1 PHE 22 58.286 -3.313 -0.298 156 HD2 PHE 22 HD2 PHE 22 59.499 0.726 0.527 157 HE1 PHE 22 HE1 PHE 22 57.421 -2.601 -2.510 158 HE2 PHE 22 HE2 PHE 22 58.633 1.437 -1.685 159 HZ PHE 22 HZ PHE 22 57.594 -0.225 -3.203 160 H LYS 23 HN LYS 23 57.530 -2.326 4.160 161 HA LYS 23 HA LYS 23 59.592 -2.740 6.107 162 1HB LYS 23 HB2 LYS 23 57.676 -1.251 6.516 163 2HB LYS 23 HB1 LYS 23 56.583 -2.635 6.471 164 1HG LYS 23 HG2 LYS 23 57.227 -1.924 8.799 165 2HG LYS 23 HG1 LYS 23 57.627 -3.602 8.429 166 1HD LYS 23 HD2 LYS 23 59.942 -3.003 7.979 167 2HD LYS 23 HD1 LYS 23 59.572 -1.291 8.191 168 1HE LYS 23 HE2 LYS 23 59.211 -3.387 10.350 169 2HE LYS 23 HE1 LYS 23 60.619 -2.334 10.218 170 1HZ LYS 23 HZ1 LYS 23 58.279 -0.784 10.046 171 2HZ LYS 23 HZ3 LYS 23 58.173 -1.773 11.420 172 3HZ LYS 23 HZ2 LYS 23 59.501 -0.731 11.224 173 H ALA 24 HN ALA 24 57.646 -4.956 4.420 174 HA ALA 24 HA ALA 24 57.453 -6.972 6.513 175 1HB ALA 24 HB2 ALA 24 55.911 -6.837 4.523 176 2HB ALA 24 HB1 ALA 24 57.259 -7.360 3.513 177 3HB ALA 24 HB3 ALA 24 56.629 -8.430 4.764 178 H ALA 25 HN ALA 25 59.597 -6.415 3.721 179 HA ALA 25 HA ALA 25 61.180 -8.792 4.189 180 1HB ALA 25 HB2 ALA 25 61.133 -6.597 2.303 181 2HB ALA 25 HB1 ALA 25 62.782 -6.891 2.857 182 3HB ALA 25 HB3 ALA 25 61.851 -8.197 2.121 183 H PHE 26 HN PHE 26 61.431 -5.401 5.189 184 HA PHE 26 HA PHE 26 64.018 -5.335 6.238 185 1HB PHE 26 HB2 PHE 26 62.309 -3.451 6.214 186 2HB PHE 26 HB1 PHE 26 61.608 -4.178 7.662 187 HD1 PHE 26 HD1 PHE 26 64.948 -3.143 6.298 188 HD2 PHE 26 HD2 PHE 26 62.402 -3.487 9.740 189 HE1 PHE 26 HE1 PHE 26 66.679 -2.035 7.689 190 HE2 PHE 26 HE2 PHE 26 64.131 -2.380 11.132 191 HZ PHE 26 HZ PHE 26 66.271 -1.653 10.106 192 H ASP 27 HN ASP 27 61.198 -5.874 8.372 193 HA ASP 27 HA ASP 27 62.593 -6.948 10.540 194 1HB ASP 27 HB2 ASP 27 60.050 -6.427 10.248 195 2HB ASP 27 HB1 ASP 27 59.935 -8.111 9.737 196 H MET 28 HN MET 28 61.945 -8.415 7.460 197 HA MET 28 HA MET 28 62.145 -11.164 8.162 198 1HB MET 28 HB2 MET 28 61.910 -9.714 5.797 199 2HB MET 28 HB1 MET 28 63.474 -10.514 5.642 200 1HG MET 28 HG2 MET 28 61.543 -12.345 6.761 201 2HG MET 28 HG1 MET 28 60.925 -11.667 5.256 202 1HE MET 28 HE2 MET 28 62.773 -10.923 3.598 203 2HE MET 28 HE1 MET 28 63.894 -12.075 2.877 204 3HE MET 28 HE3 MET 28 62.148 -12.316 2.717 205 H PHE 29 HN PHE 29 64.766 -9.149 6.756 206 HA PHE 29 HA PHE 29 66.778 -11.033 7.744 207 1HB PHE 29 HB2 PHE 29 67.311 -8.272 6.633 208 2HB PHE 29 HB1 PHE 29 68.367 -9.684 6.598 209 HD1 PHE 29 HD1 PHE 29 67.653 -11.711 5.226 210 HD2 PHE 29 HD2 PHE 29 65.741 -7.879 4.905 211 HE1 PHE 29 HE1 PHE 29 66.695 -12.373 3.037 212 HE2 PHE 29 HE2 PHE 29 64.781 -8.541 2.715 213 HZ PHE 29 HZ PHE 29 65.258 -10.788 1.781 214 H ASP 30 HN ASP 30 65.032 -8.555 9.169 215 HA ASP 30 HA ASP 30 67.257 -7.893 11.049 216 1HB ASP 30 HB2 ASP 30 66.228 -5.928 10.031 217 2HB ASP 30 HB1 ASP 30 64.625 -6.481 10.520 218 H ALA 31 HN ALA 31 66.541 -10.295 11.694 219 HA ALA 31 HA ALA 31 64.119 -10.518 13.273 220 1HB ALA 31 HB2 ALA 31 65.973 -12.304 12.226 221 2HB ALA 31 HB1 ALA 31 66.249 -12.399 13.965 222 3HB ALA 31 HB3 ALA 31 64.644 -12.718 13.309 223 H ASP 32 HN ASP 32 67.324 -9.350 13.875 224 HA ASP 32 HA ASP 32 67.304 -9.722 16.748 225 1HB ASP 32 HB2 ASP 32 69.179 -8.907 14.856 226 2HB ASP 32 HB1 ASP 32 68.877 -7.449 15.803 227 H GLY 33 HN GLY 33 65.577 -7.667 14.688 228 1HA GLY 33 HA2 GLY 33 64.179 -5.834 15.120 229 2HA GLY 33 HA1 GLY 33 64.235 -6.327 16.814 230 H GLY 34 HN GLY 34 67.225 -5.630 15.188 231 1HA GLY 34 HA2 GLY 34 67.880 -3.561 17.100 232 2HA GLY 34 HA1 GLY 34 68.850 -4.004 15.693 233 H GLY 35 HN GLY 35 66.322 -3.581 14.004 234 1HA GLY 35 HA2 GLY 35 65.091 -1.722 13.122 235 2HA GLY 35 HA1 GLY 35 66.004 -0.647 14.181 236 H ASP 36 HN ASP 36 67.930 -2.934 12.523 237 HA ASP 36 HA ASP 36 68.339 -1.381 10.098 238 1HB ASP 36 HB2 ASP 36 70.540 -0.528 10.568 239 2HB ASP 36 HB1 ASP 36 69.495 -0.004 11.889 240 H ILE 37 HN ILE 37 69.134 -2.771 8.579 241 HA ILE 37 HA ILE 37 70.336 -5.312 9.581 242 HB ILE 37 HB ILE 37 68.620 -6.149 8.361 243 1HG1 ILE 37 HG12 ILE 37 70.815 -6.484 6.962 244 2HG1 ILE 37 HG11 ILE 37 69.262 -6.901 6.249 245 1HG2 ILE 37 HG21 ILE 37 67.585 -3.938 8.051 246 2HG2 ILE 37 HG23 ILE 37 68.629 -3.641 6.659 247 3HG2 ILE 37 HG22 ILE 37 67.417 -4.922 6.596 248 1HD1 ILE 37 HD13 ILE 37 69.182 -4.658 5.168 249 2HD1 ILE 37 HD12 ILE 37 70.786 -4.312 5.812 250 3HD1 ILE 37 HD11 ILE 37 70.569 -5.609 4.640 251 H SER 38 HN SER 38 72.123 -6.193 8.347 252 HA SER 38 HA SER 38 74.084 -4.179 7.658 253 1HB SER 38 HB2 SER 38 74.967 -6.184 8.558 254 2HB SER 38 HB1 SER 38 74.012 -7.191 7.472 255 HG SER 38 HG SER 38 75.825 -5.338 6.402 256 H THR 39 HN THR 39 74.769 -3.509 5.611 257 HA THR 39 HA THR 39 72.928 -3.584 3.457 258 HB THR 39 HB THR 39 74.694 -2.631 2.100 259 HG1 THR 39 HG1 THR 39 76.840 -2.579 3.246 260 1HG2 THR 39 HG21 THR 39 74.311 -1.783 4.900 261 2HG2 THR 39 HG23 THR 39 75.751 -1.128 4.122 262 3HG2 THR 39 HG22 THR 39 74.161 -0.852 3.410 263 H LYS 40 HN LYS 40 75.171 -5.954 4.540 264 HA LYS 40 HA LYS 40 75.716 -7.313 2.088 265 1HB LYS 40 HB2 LYS 40 75.504 -8.310 4.941 266 2HB LYS 40 HB1 LYS 40 76.022 -9.331 3.600 267 1HG LYS 40 HG2 LYS 40 77.840 -7.706 3.098 268 2HG LYS 40 HG1 LYS 40 77.352 -6.761 4.505 269 1HD LYS 40 HD2 LYS 40 79.144 -8.144 5.259 270 2HD LYS 40 HD1 LYS 40 77.673 -8.899 5.874 271 1HE LYS 40 HE2 LYS 40 77.712 -10.297 3.699 272 2HE LYS 40 HE1 LYS 40 79.384 -9.757 3.543 273 1HZ LYS 40 HZ3 LYS 40 79.191 -10.542 6.138 274 2HZ LYS 40 HZ2 LYS 40 78.254 -11.698 5.318 275 3HZ LYS 40 HZ1 LYS 40 79.875 -11.448 4.879 276 H ALA 41 HN ALA 41 73.233 -8.039 4.568 277 HA ALA 41 HA ALA 41 71.866 -9.955 2.897 278 1HB ALA 41 HB1 ALA 41 71.759 -9.670 5.474 279 2HB ALA 41 HB3 ALA 41 70.561 -8.419 5.142 280 3HB ALA 41 HB2 ALA 41 70.266 -10.081 4.630 281 H LEU 42 HN LEU 42 72.072 -6.600 2.732 282 HA LEU 42 HA LEU 42 69.404 -5.876 2.013 283 1HB LEU 42 HB2 LEU 42 71.718 -4.493 2.372 284 2HB LEU 42 HB1 LEU 42 71.624 -4.495 0.613 285 HG LEU 42 HG LEU 42 69.446 -3.460 0.651 286 1HD1 LEU 42 HD13 LEU 42 69.389 -4.568 3.322 287 2HD1 LEU 42 HD12 LEU 42 69.003 -2.850 3.372 288 3HD1 LEU 42 HD11 LEU 42 68.054 -3.938 2.360 289 1HD2 LEU 42 HD21 LEU 42 71.568 -2.078 1.160 290 2HD2 LEU 42 HD23 LEU 42 70.011 -1.336 1.529 291 3HD2 LEU 42 HD22 LEU 42 70.981 -2.037 2.824 292 H GLY 43 HN GLY 43 72.172 -6.899 -0.005 293 1HA GLY 43 HA2 GLY 43 71.095 -6.654 -2.546 294 2HA GLY 43 HA1 GLY 43 72.107 -8.023 -2.083 295 H THR 44 HN THR 44 70.315 -9.090 -0.105 296 HA THR 44 HA THR 44 68.548 -10.603 -1.852 297 HB THR 44 HB THR 44 68.813 -10.544 1.170 298 HG1 THR 44 HG1 THR 44 70.554 -11.580 0.636 299 1HG2 THR 44 HG23 THR 44 66.593 -11.359 0.317 300 2HG2 THR 44 HG22 THR 44 67.453 -12.605 -0.585 301 3HG2 THR 44 HG21 THR 44 67.519 -12.588 1.178 302 H VAL 45 HN VAL 45 68.120 -8.082 0.621 303 HA VAL 45 HA VAL 45 65.303 -8.095 0.782 304 HB VAL 45 HB VAL 45 67.128 -5.674 0.847 305 1HG1 VAL 45 HG12 VAL 45 64.320 -6.200 1.847 306 2HG1 VAL 45 HG11 VAL 45 65.300 -4.851 2.419 307 3HG1 VAL 45 HG13 VAL 45 64.846 -4.951 0.718 308 1HG2 VAL 45 HG22 VAL 45 67.219 -7.923 2.469 309 2HG2 VAL 45 HG21 VAL 45 67.820 -6.323 2.906 310 3HG2 VAL 45 HG23 VAL 45 66.195 -6.815 3.381 311 H MET 46 HN MET 46 67.353 -6.128 -1.404 312 HA MET 46 HA MET 46 65.135 -5.067 -2.889 313 1HB MET 46 HB2 MET 46 68.020 -5.449 -3.750 314 2HB MET 46 HB1 MET 46 66.838 -4.414 -4.552 315 1HG MET 46 HG2 MET 46 66.690 -3.613 -1.898 316 2HG MET 46 HG1 MET 46 68.413 -3.906 -2.139 317 1HE MET 46 HE2 MET 46 69.493 -3.474 -4.201 318 2HE MET 46 HE1 MET 46 68.583 -2.909 -5.600 319 3HE MET 46 HE3 MET 46 69.665 -1.806 -4.739 320 H ARG 47 HN ARG 47 67.337 -7.810 -3.497 321 HA ARG 47 HA ARG 47 66.446 -8.650 -5.994 322 1HB ARG 47 HB2 ARG 47 67.831 -9.834 -3.789 323 2HB ARG 47 HB1 ARG 47 66.620 -10.984 -4.353 324 1HG ARG 47 HG2 ARG 47 67.491 -10.394 -6.733 325 2HG ARG 47 HG1 ARG 47 68.900 -9.751 -5.887 326 1HD ARG 47 HD2 ARG 47 69.500 -11.989 -6.321 327 2HD ARG 47 HD1 ARG 47 68.933 -12.032 -4.650 328 HE ARG 47 HE ARG 47 67.401 -13.620 -5.471 329 1HH1 ARG 47 HH11 ARG 47 68.446 -11.820 -8.133 330 2HH1 ARG 47 HH12 ARG 47 66.995 -12.030 -9.055 331 1HH2 ARG 47 HH21 ARG 47 65.264 -13.570 -6.475 332 2HH2 ARG 47 HH22 ARG 47 65.193 -13.022 -8.116 333 H MET 48 HN MET 48 64.864 -9.134 -2.853 334 HA MET 48 HA MET 48 62.722 -10.767 -3.918 335 1HB MET 48 HB2 MET 48 63.499 -9.653 -1.341 336 2HB MET 48 HB1 MET 48 61.761 -9.522 -1.605 337 1HG MET 48 HG2 MET 48 61.459 -11.813 -1.699 338 2HG MET 48 HG1 MET 48 63.089 -12.106 -2.307 339 1HE MET 48 HE1 MET 48 61.592 -10.001 0.254 340 2HE MET 48 HE3 MET 48 61.074 -11.335 1.294 341 3HE MET 48 HE2 MET 48 62.426 -10.313 1.774 342 H LEU 49 HN LEU 49 63.146 -7.300 -3.303 343 HA LEU 49 HA LEU 49 60.764 -6.805 -5.013 344 1HB LEU 49 HB2 LEU 49 60.072 -4.981 -3.400 345 2HB LEU 49 HB1 LEU 49 59.863 -6.621 -2.783 346 HG LEU 49 HG LEU 49 62.516 -5.423 -2.261 347 1HD1 LEU 49 HD11 LEU 49 60.778 -3.535 -1.985 348 2HD1 LEU 49 HD13 LEU 49 60.162 -4.473 -0.624 349 3HD1 LEU 49 HD12 LEU 49 61.822 -3.875 -0.605 350 1HD2 LEU 49 HD22 LEU 49 60.612 -7.339 -1.111 351 2HD2 LEU 49 HD21 LEU 49 62.369 -7.281 -0.965 352 3HD2 LEU 49 HD23 LEU 49 61.361 -6.302 0.102 353 H GLY 50 HN GLY 50 62.663 -6.335 -6.476 354 1HA GLY 50 HA2 GLY 50 63.076 -3.538 -6.758 355 2HA GLY 50 HA1 GLY 50 64.501 -4.217 -5.969 356 H GLN 51 HN GLN 51 66.067 -4.929 -7.322 357 HA GLN 51 HA GLN 51 65.288 -6.097 -9.940 358 1HB GLN 51 HB2 GLN 51 67.556 -4.131 -9.879 359 2HB GLN 51 HB1 GLN 51 66.544 -4.624 -11.238 360 1HG GLN 51 HG2 GLN 51 65.480 -3.050 -8.881 361 2HG GLN 51 HG1 GLN 51 66.092 -2.285 -10.347 362 1HE2 GLN 51 HE22 GLN 51 62.362 -2.926 -10.627 363 2HE2 GLN 51 HE21 GLN 51 63.301 -2.170 -9.433 364 H ASN 52 HN ASN 52 67.958 -6.263 -10.925 365 HA ASN 52 HA ASN 52 69.533 -7.606 -8.821 366 1HB ASN 52 HB2 ASN 52 69.725 -9.636 -10.448 367 2HB ASN 52 HB1 ASN 52 68.290 -9.510 -9.428 368 1HD2 ASN 52 HD22 ASN 52 66.101 -8.740 -12.155 369 2HD2 ASN 52 HD21 ASN 52 66.297 -8.601 -10.475 370 HA PRO 53 HA PRO 53 71.926 -5.500 -12.190 371 1HB PRO 53 HB2 PRO 53 73.144 -3.667 -10.540 372 2HB PRO 53 HB1 PRO 53 71.600 -3.374 -11.357 373 1HG PRO 53 HG2 PRO 53 72.115 -3.985 -8.483 374 2HG PRO 53 HG1 PRO 53 70.769 -3.097 -9.218 375 1HD PRO 53 HD2 PRO 53 70.686 -5.777 -8.309 376 2HD PRO 53 HD1 PRO 53 69.473 -4.985 -9.339 377 H THR 54 HN THR 54 74.447 -5.117 -12.071 378 HA THR 54 HA THR 54 75.632 -7.548 -10.993 379 HB THR 54 HB THR 54 76.407 -6.559 -13.126 380 HG1 THR 54 HG1 THR 54 78.524 -6.899 -12.706 381 1HG2 THR 54 HG21 THR 54 76.995 -4.241 -11.309 382 2HG2 THR 54 HG23 THR 54 77.966 -4.486 -12.761 383 3HG2 THR 54 HG22 THR 54 76.225 -4.242 -12.895 384 H LYS 55 HN LYS 55 77.368 -7.595 -9.412 385 HA LYS 55 HA LYS 55 76.884 -6.142 -7.046 386 1HB LYS 55 HB2 LYS 55 78.857 -8.022 -8.003 387 2HB LYS 55 HB1 LYS 55 79.644 -6.758 -7.057 388 1HG LYS 55 HG2 LYS 55 78.895 -7.713 -5.166 389 2HG LYS 55 HG1 LYS 55 77.234 -7.470 -5.708 390 1HD LYS 55 HD2 LYS 55 77.306 -9.588 -6.948 391 2HD LYS 55 HD1 LYS 55 78.983 -9.830 -6.461 392 1HE LYS 55 HE2 LYS 55 77.737 -11.118 -4.914 393 2HE LYS 55 HE1 LYS 55 78.117 -9.634 -4.039 394 1HZ LYS 55 HZ2 LYS 55 75.617 -9.916 -5.587 395 2HZ LYS 55 HZ1 LYS 55 75.727 -10.457 -3.980 396 3HZ LYS 55 HZ3 LYS 55 75.974 -8.818 -4.339 397 H GLU 56 HN GLU 56 78.517 -5.158 -9.922 398 HA GLU 56 HA GLU 56 80.307 -3.208 -8.886 399 1HB GLU 56 HB2 GLU 56 80.380 -3.844 -11.230 400 2HB GLU 56 HB1 GLU 56 78.740 -3.244 -11.481 401 1HG GLU 56 HG2 GLU 56 79.616 -0.969 -10.684 402 2HG GLU 56 HG1 GLU 56 81.233 -1.647 -10.880 403 H GLU 57 HN GLU 57 76.857 -2.966 -9.741 404 HA GLU 57 HA GLU 57 76.758 -0.148 -8.931 405 1HB GLU 57 HB2 GLU 57 74.456 -2.032 -9.518 406 2HB GLU 57 HB1 GLU 57 74.408 -0.269 -9.507 407 1HG GLU 57 HG2 GLU 57 76.045 -1.976 -11.405 408 2HG GLU 57 HG1 GLU 57 74.560 -1.120 -11.815 409 H LEU 58 HN LEU 58 76.195 -3.269 -7.476 410 HA LEU 58 HA LEU 58 74.514 -2.432 -5.311 411 1HB LEU 58 HB2 LEU 58 75.971 -4.811 -6.085 412 2HB LEU 58 HB1 LEU 58 76.177 -4.504 -4.359 413 HG LEU 58 HG LEU 58 74.174 -5.887 -4.784 414 1HD1 LEU 58 HD13 LEU 58 74.094 -3.197 -3.557 415 2HD1 LEU 58 HD12 LEU 58 72.517 -3.911 -3.893 416 3HD1 LEU 58 HD11 LEU 58 73.670 -4.763 -2.866 417 1HD2 LEU 58 HD21 LEU 58 73.792 -4.790 -7.077 418 2HD2 LEU 58 HD23 LEU 58 72.351 -5.109 -6.110 419 3HD2 LEU 58 HD22 LEU 58 73.014 -3.476 -6.195 420 H ASP 59 HN ASP 59 78.049 -3.062 -5.292 421 HA ASP 59 HA ASP 59 78.600 -2.082 -2.724 422 1HB ASP 59 HB2 ASP 59 80.328 -3.164 -4.047 423 2HB ASP 59 HB1 ASP 59 80.277 -1.867 -5.243 424 H ALA 60 HN ALA 60 78.557 -0.220 -5.782 425 HA ALA 60 HA ALA 60 79.159 2.308 -4.634 426 1HB ALA 60 HB1 ALA 60 78.593 1.370 -7.179 427 2HB ALA 60 HB3 ALA 60 77.224 2.427 -6.833 428 3HB ALA 60 HB2 ALA 60 78.868 3.059 -6.751 429 H ILE 61 HN ILE 61 76.123 0.533 -4.895 430 HA ILE 61 HA ILE 61 74.385 2.684 -4.136 431 HB ILE 61 HB ILE 61 74.195 -0.320 -4.078 432 1HG1 ILE 61 HG12 ILE 61 72.641 1.886 -5.467 433 2HG1 ILE 61 HG11 ILE 61 73.874 0.866 -6.206 434 1HG2 ILE 61 HG22 ILE 61 72.471 1.643 -2.632 435 2HG2 ILE 61 HG21 ILE 61 71.668 0.324 -3.481 436 3HG2 ILE 61 HG23 ILE 61 72.853 -0.030 -2.223 437 1HD1 ILE 61 HD12 ILE 61 72.358 -1.105 -5.358 438 2HD1 ILE 61 HD11 ILE 61 71.103 0.132 -5.313 439 3HD1 ILE 61 HD13 ILE 61 71.917 -0.242 -6.832 440 H ILE 62 HN ILE 62 76.093 0.201 -2.240 441 HA ILE 62 HA ILE 62 75.023 0.946 0.304 442 HB ILE 62 HB ILE 62 77.745 -0.241 -0.320 443 1HG1 ILE 62 HG12 ILE 62 75.180 -1.689 0.394 444 2HG1 ILE 62 HG11 ILE 62 75.701 -1.438 -1.272 445 1HG2 ILE 62 HG22 ILE 62 77.413 0.654 2.000 446 2HG2 ILE 62 HG21 ILE 62 76.033 -0.429 2.177 447 3HG2 ILE 62 HG23 ILE 62 77.652 -1.094 1.955 448 1HD1 ILE 62 HD13 ILE 62 77.408 -2.776 0.842 449 2HD1 ILE 62 HD12 ILE 62 76.409 -3.655 -0.314 450 3HD1 ILE 62 HD11 ILE 62 77.752 -2.665 -0.883 451 H GLU 63 HN GLU 63 78.045 1.929 -1.338 452 HA GLU 63 HA GLU 63 78.874 3.728 0.744 453 1HB GLU 63 HB2 GLU 63 79.907 2.819 -1.722 454 2HB GLU 63 HB1 GLU 63 79.799 4.575 -1.858 455 1HG GLU 63 HG2 GLU 63 80.845 3.570 0.723 456 2HG GLU 63 HG1 GLU 63 81.883 3.285 -0.674 457 H GLU 64 HN GLU 64 76.351 3.948 -1.523 458 HA GLU 64 HA GLU 64 76.383 6.929 -1.419 459 1HB GLU 64 HB2 GLU 64 75.282 4.915 -3.308 460 2HB GLU 64 HB1 GLU 64 74.321 6.375 -3.070 461 1HG GLU 64 HG2 GLU 64 75.718 7.505 -4.419 462 2HG GLU 64 HG1 GLU 64 77.045 7.176 -3.304 463 H VAL 65 HN VAL 65 74.843 4.178 -0.075 464 HA VAL 65 HA VAL 65 72.424 5.724 0.679 465 HB VAL 65 HB VAL 65 73.148 2.832 1.243 466 1HG1 VAL 65 HG12 VAL 65 71.119 4.540 2.290 467 2HG1 VAL 65 HG11 VAL 65 70.339 3.392 1.199 468 3HG1 VAL 65 HG13 VAL 65 71.318 2.806 2.547 469 1HG2 VAL 65 HG21 VAL 65 72.690 3.829 -1.213 470 2HG2 VAL 65 HG23 VAL 65 72.110 2.239 -0.723 471 3HG2 VAL 65 HG22 VAL 65 71.020 3.624 -0.686 472 H ASP 66 HN ASP 66 75.426 4.537 2.005 473 HA ASP 66 HA ASP 66 74.571 5.022 4.782 474 1HB ASP 66 HB2 ASP 66 76.681 3.567 3.484 475 2HB ASP 66 HB1 ASP 66 77.394 4.719 4.613 476 H GLU 67 HN GLU 67 74.104 7.368 3.830 477 HA GLU 67 HA GLU 67 76.342 9.132 3.433 478 1HB GLU 67 HB2 GLU 67 74.648 10.939 3.900 479 2HB GLU 67 HB1 GLU 67 74.145 9.796 2.652 480 1HG GLU 67 HG2 GLU 67 72.363 9.148 3.866 481 2HG GLU 67 HG1 GLU 67 73.373 8.849 5.283 482 H ASP 68 HN ASP 68 74.872 7.772 6.256 483 HA ASP 68 HA ASP 68 75.989 9.815 8.061 484 1HB ASP 68 HB2 ASP 68 75.042 8.397 9.853 485 2HB ASP 68 HB1 ASP 68 73.834 8.751 8.618 486 H GLY 69 HN GLY 69 77.031 6.928 6.556 487 1HA GLY 69 HA2 GLY 69 79.031 5.717 6.762 488 2HA GLY 69 HA1 GLY 69 79.651 7.079 7.697 489 H SER 70 HN SER 70 76.764 5.295 8.619 490 HA SER 70 HA SER 70 77.918 4.741 11.241 491 1HB SER 70 HB2 SER 70 75.684 3.478 11.514 492 2HB SER 70 HB1 SER 70 75.600 5.222 11.274 493 HG SER 70 HG SER 70 74.812 3.148 9.635 494 H GLY 71 HN GLY 71 77.278 2.928 8.287 495 1HA GLY 71 HA2 GLY 71 78.610 0.972 7.717 496 2HA GLY 71 HA1 GLY 71 78.841 0.672 9.440 497 H THR 72 HN THR 72 75.650 1.565 8.746 498 HA THR 72 HA THR 72 74.758 -1.213 8.241 499 HB THR 72 HB THR 72 73.024 -0.500 10.240 500 HG1 THR 72 HG1 THR 72 74.395 1.302 10.706 501 1HG2 THR 72 HG21 THR 72 75.481 -2.184 10.066 502 2HG2 THR 72 HG23 THR 72 74.774 -1.935 11.662 503 3HG2 THR 72 HG22 THR 72 73.812 -2.661 10.374 504 H ILE 73 HN ILE 73 72.408 -1.275 7.725 505 HA ILE 73 HA ILE 73 71.515 1.346 6.593 506 HB ILE 73 HB ILE 73 70.896 -1.495 5.743 507 1HG1 ILE 73 HG12 ILE 73 73.138 -0.354 5.148 508 2HG1 ILE 73 HG11 ILE 73 72.199 -1.028 3.816 509 1HG2 ILE 73 HG21 ILE 73 69.573 1.098 5.168 510 2HG2 ILE 73 HG23 ILE 73 69.877 0.060 3.775 511 3HG2 ILE 73 HG22 ILE 73 68.914 -0.537 5.126 512 1HD1 ILE 73 HD13 ILE 73 71.577 1.783 4.529 513 2HD1 ILE 73 HD12 ILE 73 73.168 1.508 3.818 514 3HD1 ILE 73 HD11 ILE 73 71.715 1.028 2.940 515 H ASP 74 HN ASP 74 69.418 2.045 7.036 516 HA ASP 74 HA ASP 74 67.909 0.420 9.045 517 1HB ASP 74 HB2 ASP 74 68.009 3.436 8.715 518 2HB ASP 74 HB1 ASP 74 67.026 2.573 9.899 519 H PHE 75 HN PHE 75 65.550 0.551 8.860 520 HA PHE 75 HA PHE 75 64.464 0.081 6.374 521 1HB PHE 75 HB2 PHE 75 63.309 -0.043 8.656 522 2HB PHE 75 HB1 PHE 75 62.950 1.673 8.449 523 HD1 PHE 75 HD2 PHE 75 63.067 -1.104 5.953 524 HD2 PHE 75 HD1 PHE 75 60.655 1.824 7.962 525 HE1 PHE 75 HE2 PHE 75 61.147 -1.682 4.489 526 HE2 PHE 75 HE1 PHE 75 58.736 1.251 6.501 527 HZ PHE 75 HZ PHE 75 58.981 -0.503 4.764 528 H GLU 76 HN GLU 76 65.206 3.232 7.763 529 HA GLU 76 HA GLU 76 63.762 4.753 5.763 530 1HB GLU 76 HB2 GLU 76 66.043 5.532 7.603 531 2HB GLU 76 HB1 GLU 76 65.122 6.666 6.614 532 1HG GLU 76 HG2 GLU 76 63.050 5.530 7.796 533 2HG GLU 76 HG1 GLU 76 64.246 5.109 9.021 534 H GLU 77 HN GLU 77 67.190 3.838 6.160 535 HA GLU 77 HA GLU 77 68.045 5.139 3.731 536 1HB GLU 77 HB2 GLU 77 69.281 2.933 5.400 537 2HB GLU 77 HB1 GLU 77 70.082 3.665 4.008 538 1HG GLU 77 HG2 GLU 77 70.020 5.856 5.055 539 2HG GLU 77 HG1 GLU 77 69.064 5.229 6.398 540 H PHE 78 HN PHE 78 66.452 2.126 4.363 541 HA PHE 78 HA PHE 78 67.345 0.711 2.023 542 1HB PHE 78 HB2 PHE 78 66.356 -0.777 3.472 543 2HB PHE 78 HB1 PHE 78 65.195 0.408 4.063 544 HD1 PHE 78 HD2 PHE 78 63.217 1.014 2.648 545 HD2 PHE 78 HD1 PHE 78 65.796 -2.284 1.704 546 HE1 PHE 78 HE2 PHE 78 61.470 0.075 1.151 547 HE2 PHE 78 HE1 PHE 78 64.056 -3.223 0.207 548 HZ PHE 78 HZ PHE 78 61.891 -2.043 -0.069 549 H LEU 79 HN LEU 79 64.442 2.681 2.710 550 HA LEU 79 HA LEU 79 63.189 2.466 0.200 551 1HB LEU 79 HB2 LEU 79 63.354 4.939 1.954 552 2HB LEU 79 HB1 LEU 79 62.137 4.626 0.715 553 HG LEU 79 HG LEU 79 62.604 2.795 3.082 554 1HD1 LEU 79 HD12 LEU 79 60.776 5.169 2.727 555 2HD1 LEU 79 HD11 LEU 79 60.357 3.850 3.823 556 3HD1 LEU 79 HD13 LEU 79 61.829 4.785 4.090 557 1HD2 LEU 79 HD23 LEU 79 61.497 1.935 0.951 558 2HD2 LEU 79 HD22 LEU 79 60.529 1.785 2.418 559 3HD2 LEU 79 HD21 LEU 79 60.194 3.081 1.269 560 H VAL 80 HN VAL 80 65.996 4.348 1.170 561 HA VAL 80 HA VAL 80 66.099 5.997 -1.203 562 HB VAL 80 HB VAL 80 68.163 5.211 0.867 563 1HG1 VAL 80 HG12 VAL 80 68.536 6.383 -1.785 564 2HG1 VAL 80 HG11 VAL 80 69.127 7.437 -0.500 565 3HG1 VAL 80 HG13 VAL 80 69.742 5.790 -0.643 566 1HG2 VAL 80 HG23 VAL 80 66.284 6.782 1.467 567 2HG2 VAL 80 HG22 VAL 80 67.889 7.502 1.609 568 3HG2 VAL 80 HG21 VAL 80 66.873 7.878 0.216 569 H MET 81 HN MET 81 67.443 2.848 -0.307 570 HA MET 81 HA MET 81 69.176 2.510 -2.540 571 1HB MET 81 HB2 MET 81 67.629 0.483 -0.902 572 2HB MET 81 HB1 MET 81 68.849 0.047 -2.100 573 1HG MET 81 HG2 MET 81 70.075 2.016 -0.533 574 2HG MET 81 HG1 MET 81 69.212 1.002 0.623 575 1HE MET 81 HE1 MET 81 71.693 1.370 1.054 576 2HE MET 81 HE3 MET 81 72.093 -0.284 1.539 577 3HE MET 81 HE2 MET 81 73.027 0.518 0.280 578 H MET 82 HN MET 82 65.701 1.932 -2.153 579 HA MET 82 HA MET 82 65.322 0.594 -4.669 580 1HB MET 82 HB2 MET 82 63.245 2.313 -3.307 581 2HB MET 82 HB1 MET 82 62.995 0.864 -4.283 582 1HG MET 82 HG2 MET 82 64.755 0.296 -2.052 583 2HG MET 82 HG1 MET 82 63.233 0.984 -1.484 584 1HE MET 82 HE3 MET 82 65.141 -1.697 -3.176 585 2HE MET 82 HE2 MET 82 63.990 -2.895 -3.759 586 3HE MET 82 HE1 MET 82 64.167 -1.367 -4.615 587 H VAL 83 HN VAL 83 64.331 3.930 -3.795 588 HA VAL 83 HA VAL 83 64.001 4.751 -6.521 589 HB VAL 83 HB VAL 83 64.718 6.688 -4.333 590 1HG1 VAL 83 HG12 VAL 83 63.665 6.834 -6.963 591 2HG1 VAL 83 HG11 VAL 83 62.347 7.255 -5.868 592 3HG1 VAL 83 HG13 VAL 83 63.863 8.155 -5.810 593 1HG2 VAL 83 HG22 VAL 83 62.475 4.755 -4.381 594 2HG2 VAL 83 HG21 VAL 83 63.176 5.630 -3.021 595 3HG2 VAL 83 HG23 VAL 83 62.011 6.429 -4.076 596 H ARG 84 HN ARG 84 66.809 4.122 -4.735 597 HA ARG 84 HA ARG 84 68.570 6.125 -5.803 598 1HB ARG 84 HB2 ARG 84 69.316 4.900 -3.889 599 2HB ARG 84 HB1 ARG 84 69.037 3.351 -4.687 600 1HG ARG 84 HG2 ARG 84 71.103 3.384 -5.569 601 2HG ARG 84 HG1 ARG 84 70.803 4.962 -6.297 602 1HD ARG 84 HD2 ARG 84 71.117 5.608 -3.640 603 2HD ARG 84 HD1 ARG 84 72.267 4.286 -3.838 604 HE ARG 84 HE ARG 84 73.610 5.812 -5.012 605 1HH1 ARG 84 HH21 ARG 84 72.804 6.315 -7.495 606 2HH1 ARG 84 HH22 ARG 84 71.977 7.836 -7.523 607 1HH2 ARG 84 HH11 ARG 84 71.446 7.911 -4.098 608 2HH2 ARG 84 HH12 ARG 84 71.207 8.740 -5.600 609 H GLN 85 HN GLN 85 67.502 2.959 -6.961 610 HA GLN 85 HA GLN 85 68.610 3.649 -9.626 611 1HB GLN 85 HB2 GLN 85 69.509 1.314 -9.851 612 2HB GLN 85 HB1 GLN 85 70.363 2.281 -8.648 613 1HG GLN 85 HG2 GLN 85 70.002 0.415 -7.359 614 2HG GLN 85 HG1 GLN 85 68.463 1.223 -7.063 615 1HE2 GLN 85 HE22 GLN 85 66.559 -1.177 -8.838 616 2HE2 GLN 85 HE21 GLN 85 66.548 0.305 -8.010 617 H MET 86 HN MET 86 65.917 3.285 -8.202 618 HA MET 86 HA MET 86 64.620 0.948 -9.165 619 1HB MET 86 HB2 MET 86 63.861 3.405 -7.897 620 2HB MET 86 HB1 MET 86 62.772 3.116 -9.252 621 1HG MET 86 HG2 MET 86 63.432 0.807 -7.473 622 2HG MET 86 HG1 MET 86 62.315 2.028 -6.864 623 1HE MET 86 HE3 MET 86 60.704 3.158 -8.793 624 2HE MET 86 HE2 MET 86 59.389 2.070 -9.230 625 3HE MET 86 HE1 MET 86 59.862 2.237 -7.541 626 H LYS 87 HN LYS 87 65.345 4.022 -10.742 627 HA LYS 87 HA LYS 87 63.908 3.102 -13.176 628 1HB LYS 87 HB2 LYS 87 64.721 5.489 -13.957 629 2HB LYS 87 HB1 LYS 87 63.344 5.337 -12.865 630 1HG LYS 87 HG2 LYS 87 66.057 5.501 -11.634 631 2HG LYS 87 HG1 LYS 87 65.390 6.978 -12.328 632 1HD LYS 87 HD2 LYS 87 63.242 5.911 -10.934 633 2HD LYS 87 HD1 LYS 87 64.618 5.564 -9.887 634 1HE LYS 87 HE2 LYS 87 63.949 8.284 -11.052 635 2HE LYS 87 HE1 LYS 87 63.645 7.784 -9.387 636 1HZ LYS 87 HZ2 LYS 87 66.313 7.211 -10.023 637 2HZ LYS 87 HZ1 LYS 87 66.001 8.819 -10.472 638 3HZ LYS 87 HZ3 LYS 87 65.717 8.316 -8.878 639 H GLU 88 HN GLU 88 66.683 5.201 -13.461 640 HA GLU 88 HA GLU 88 68.249 2.919 -14.586 641 1HB GLU 88 HB2 GLU 88 67.732 5.644 -15.788 642 2HB GLU 88 HB1 GLU 88 69.090 4.638 -16.293 643 1HG GLU 88 HG2 GLU 88 66.331 3.454 -16.202 644 2HG GLU 88 HG1 GLU 88 66.799 4.459 -17.575 645 H ASP 89 HN ASP 89 68.644 6.411 -13.854 646 HA ASP 89 HA ASP 89 70.707 5.836 -11.875 647 1HB ASP 89 HB2 ASP 89 71.755 5.655 -14.281 648 2HB ASP 89 HB1 ASP 89 71.677 7.417 -14.239 649 H ALA 90 HN ALA 90 70.430 7.410 -10.377 650 HA ALA 90 HA ALA 90 70.272 10.216 -11.102 651 1HB ALA 90 HB3 ALA 90 67.903 9.217 -11.505 652 2HB ALA 90 HB2 ALA 90 67.800 9.151 -9.744 653 3HB ALA 90 HB1 ALA 90 68.031 10.699 -10.557 No H/Q in entry = 653 Start of MODEL 13 1 1H ALA 1 HT3 ALA 1 67.191 11.588 12.325 2 2H ALA 1 HT2 ALA 1 68.314 11.886 13.565 3 3H ALA 1 HT1 ALA 1 66.972 10.883 13.852 4 HA ALA 1 HA ALA 1 65.507 12.605 14.014 5 1HB ALA 1 HB3 ALA 1 67.206 12.793 15.811 6 2HB ALA 1 HB2 ALA 1 68.159 13.865 14.783 7 3HB ALA 1 HB1 ALA 1 66.571 14.374 15.355 8 H SER 2 HN SER 2 68.221 13.314 11.925 9 HA SER 2 HA SER 2 66.702 15.640 10.816 10 1HB SER 2 HB2 SER 2 69.063 16.061 9.727 11 2HB SER 2 HB1 SER 2 68.779 16.524 11.402 12 HG SER 2 HG SER 2 70.282 14.436 10.332 13 H MET 3 HN MET 3 65.388 14.410 9.390 14 HA MET 3 HA MET 3 66.143 12.288 7.734 15 1HB MET 3 HB2 MET 3 64.312 12.936 6.263 16 2HB MET 3 HB1 MET 3 63.823 13.217 7.936 17 1HG MET 3 HG2 MET 3 64.947 15.616 7.381 18 2HG MET 3 HG1 MET 3 64.375 15.174 5.772 19 1HE MET 3 HE2 MET 3 63.740 15.778 9.368 20 2HE MET 3 HE1 MET 3 61.997 15.877 9.600 21 3HE MET 3 HE3 MET 3 62.777 14.302 9.400 22 H THR 4 HN THR 4 67.878 12.199 6.394 23 HA THR 4 HA THR 4 69.246 14.513 5.393 24 HB THR 4 HB THR 4 70.357 12.810 3.854 25 HG1 THR 4 HG1 THR 4 69.768 10.716 4.084 26 1HG2 THR 4 HG21 THR 4 70.755 13.359 6.487 27 2HG2 THR 4 HG23 THR 4 70.475 11.620 6.559 28 3HG2 THR 4 HG22 THR 4 71.773 12.262 5.553 29 H ASP 5 HN ASP 5 69.579 14.766 2.905 30 HA ASP 5 HA ASP 5 67.019 15.412 1.744 31 1HB ASP 5 HB2 ASP 5 68.488 15.726 -0.369 32 2HB ASP 5 HB1 ASP 5 68.805 16.771 1.016 33 H GLN 6 HN GLN 6 69.375 12.803 1.163 34 HA GLN 6 HA GLN 6 68.106 11.595 -1.057 35 1HB GLN 6 HB2 GLN 6 69.891 10.625 1.138 36 2HB GLN 6 HB1 GLN 6 69.076 9.416 0.145 37 1HG GLN 6 HG2 GLN 6 70.200 11.574 -1.467 38 2HG GLN 6 HG1 GLN 6 71.434 10.750 -0.511 39 1HE2 GLN 6 HE22 GLN 6 71.463 7.977 -2.663 40 2HE2 GLN 6 HE21 GLN 6 72.282 8.935 -1.526 41 H GLN 7 HN GLN 7 67.367 11.413 2.390 42 HA GLN 7 HA GLN 7 65.364 9.316 2.047 43 1HB GLN 7 HB2 GLN 7 65.905 11.216 4.352 44 2HB GLN 7 HB1 GLN 7 64.785 9.855 4.411 45 1HG GLN 7 HG2 GLN 7 66.634 8.301 3.915 46 2HG GLN 7 HG1 GLN 7 67.759 9.659 3.844 47 1HE2 GLN 7 HE22 GLN 7 67.879 8.211 7.301 48 2HE2 GLN 7 HE21 GLN 7 68.175 7.596 5.746 49 H ALA 8 HN ALA 8 65.442 12.804 1.903 50 HA ALA 8 HA ALA 8 62.599 13.212 2.268 51 1HB ALA 8 HB3 ALA 8 64.942 14.830 1.659 52 2HB ALA 8 HB2 ALA 8 63.555 15.312 0.682 53 3HB ALA 8 HB1 ALA 8 63.434 15.301 2.441 54 H GLU 9 HN GLU 9 64.628 12.340 -0.446 55 HA GLU 9 HA GLU 9 62.509 12.892 -2.411 56 1HB GLU 9 HB2 GLU 9 64.120 11.909 -4.032 57 2HB GLU 9 HB1 GLU 9 64.847 13.202 -3.077 58 1HG GLU 9 HG2 GLU 9 66.008 11.654 -1.681 59 2HG GLU 9 HG1 GLU 9 65.060 10.293 -2.281 60 H ALA 10 HN ALA 10 63.872 10.120 -0.701 61 HA ALA 10 HA ALA 10 62.506 8.111 -2.258 62 1HB ALA 10 HB3 ALA 10 64.493 7.746 -0.701 63 2HB ALA 10 HB2 ALA 10 63.351 7.859 0.638 64 3HB ALA 10 HB1 ALA 10 63.188 6.569 -0.554 65 H ARG 11 HN ARG 11 61.804 9.463 0.989 66 HA ARG 11 HA ARG 11 59.239 8.158 1.183 67 1HB ARG 11 HB2 ARG 11 60.882 9.829 2.828 68 2HB ARG 11 HB1 ARG 11 59.264 10.528 2.770 69 1HG ARG 11 HG2 ARG 11 58.404 8.868 4.034 70 2HG ARG 11 HG1 ARG 11 59.173 7.628 3.043 71 1HD ARG 11 HD2 ARG 11 60.466 7.251 4.870 72 2HD ARG 11 HD1 ARG 11 61.327 8.705 4.367 73 HE ARG 11 HE ARG 11 59.059 8.810 6.316 74 1HH1 ARG 11 HH21 ARG 11 60.472 11.277 5.138 75 2HH1 ARG 11 HH22 ARG 11 61.542 11.683 6.439 76 1HH2 ARG 11 HH11 ARG 11 61.186 8.625 8.035 77 2HH2 ARG 11 HH12 ARG 11 61.945 10.181 8.079 78 H ALA 12 HN ALA 12 60.318 11.150 -0.263 79 HA ALA 12 HA ALA 12 57.680 12.364 -0.390 80 1HB ALA 12 HB1 ALA 12 60.318 12.930 -1.745 81 2HB ALA 12 HB3 ALA 12 58.855 13.828 -2.154 82 3HB ALA 12 HB2 ALA 12 59.495 13.885 -0.512 83 H PHE 13 HN PHE 13 59.624 10.334 -2.545 84 HA PHE 13 HA PHE 13 57.599 10.539 -4.679 85 1HB PHE 13 HB2 PHE 13 60.001 10.438 -5.265 86 2HB PHE 13 HB1 PHE 13 60.116 8.853 -4.501 87 HD1 PHE 13 HD2 PHE 13 59.067 6.885 -5.504 88 HD2 PHE 13 HD1 PHE 13 58.797 10.744 -7.371 89 HE1 PHE 13 HE2 PHE 13 58.279 5.815 -7.598 90 HE2 PHE 13 HE1 PHE 13 58.009 9.674 -9.466 91 HZ PHE 13 HZ PHE 13 57.750 7.209 -9.580 92 H LEU 14 HN LEU 14 58.300 8.539 -1.967 93 HA LEU 14 HA LEU 14 56.778 6.249 -3.068 94 1HB LEU 14 HB2 LEU 14 58.206 6.665 -0.425 95 2HB LEU 14 HB1 LEU 14 57.349 5.187 -0.865 96 HG LEU 14 HG LEU 14 59.645 6.397 -2.433 97 1HD1 LEU 14 HD11 LEU 14 59.503 4.029 -0.545 98 2HD1 LEU 14 HD13 LEU 14 60.862 4.351 -1.622 99 3HD1 LEU 14 HD12 LEU 14 60.466 5.492 -0.338 100 1HD2 LEU 14 HD21 LEU 14 57.762 4.119 -2.853 101 2HD2 LEU 14 HD23 LEU 14 58.523 5.180 -4.038 102 3HD2 LEU 14 HD22 LEU 14 59.448 3.868 -3.307 103 H SER 15 HN SER 15 54.825 5.506 -2.088 104 HA SER 15 HA SER 15 53.351 7.652 -0.637 105 1HB SER 15 HB2 SER 15 51.851 5.288 -1.561 106 2HB SER 15 HB1 SER 15 51.484 7.000 -1.760 107 HG SER 15 HG SER 15 52.028 5.884 -3.734 108 H GLU 16 HN GLU 16 51.623 6.643 0.927 109 HA GLU 16 HA GLU 16 53.001 5.339 3.046 110 1HB GLU 16 HB2 GLU 16 50.541 6.557 2.754 111 2HB GLU 16 HB1 GLU 16 50.101 4.867 2.995 112 1HG GLU 16 HG2 GLU 16 52.013 5.119 4.897 113 2HG GLU 16 HG1 GLU 16 51.394 6.770 4.871 114 H GLU 17 HN GLU 17 50.793 4.033 0.568 115 HA GLU 17 HA GLU 17 50.905 1.327 1.556 116 1HB GLU 17 HB2 GLU 17 50.099 2.566 -1.074 117 2HB GLU 17 HB1 GLU 17 50.128 0.815 -0.858 118 1HG GLU 17 HG2 GLU 17 48.822 1.858 1.420 119 2HG GLU 17 HG1 GLU 17 48.142 2.712 0.034 120 H MET 18 HN MET 18 52.812 3.151 -0.811 121 HA MET 18 HA MET 18 54.285 0.892 -1.814 122 1HB MET 18 HB2 MET 18 54.108 3.506 -2.541 123 2HB MET 18 HB1 MET 18 55.663 3.515 -1.711 124 1HG MET 18 HG2 MET 18 56.139 2.993 -3.998 125 2HG MET 18 HG1 MET 18 56.281 1.476 -3.109 126 1HE MET 18 HE1 MET 18 54.570 3.731 -5.353 127 2HE MET 18 HE3 MET 18 55.100 2.513 -6.523 128 3HE MET 18 HE2 MET 18 53.381 2.809 -6.271 129 H ILE 19 HN ILE 19 54.600 2.909 1.029 130 HA ILE 19 HA ILE 19 57.288 1.888 1.645 131 HB ILE 19 HB ILE 19 55.351 3.676 3.132 132 1HG1 ILE 19 HG12 ILE 19 58.040 4.652 2.570 133 2HG1 ILE 19 HG11 ILE 19 57.212 4.148 1.095 134 1HG2 ILE 19 HG21 ILE 19 57.808 2.263 4.042 135 2HG2 ILE 19 HG23 ILE 19 57.661 3.961 4.495 136 3HG2 ILE 19 HG22 ILE 19 56.414 2.810 4.974 137 1HD1 ILE 19 HD11 ILE 19 55.340 5.570 2.727 138 2HD1 ILE 19 HD13 ILE 19 56.810 6.536 2.603 139 3HD1 ILE 19 HD12 ILE 19 55.968 6.021 1.142 140 H ALA 20 HN ALA 20 53.956 1.180 2.451 141 HA ALA 20 HA ALA 20 54.483 -0.409 4.794 142 1HB ALA 20 HB1 ALA 20 52.226 0.523 4.044 143 2HB ALA 20 HB3 ALA 20 52.180 -0.791 2.869 144 3HB ALA 20 HB2 ALA 20 52.217 -1.151 4.595 145 H GLU 21 HN GLU 21 54.666 -1.028 1.357 146 HA GLU 21 HA GLU 21 54.685 -3.926 1.601 147 1HB GLU 21 HB2 GLU 21 55.074 -1.929 -0.556 148 2HB GLU 21 HB1 GLU 21 55.928 -3.457 -0.773 149 1HG GLU 21 HG2 GLU 21 53.998 -4.378 -1.472 150 2HG GLU 21 HG1 GLU 21 53.347 -4.136 0.151 151 H PHE 22 HN PHE 22 57.289 -1.646 0.651 152 HA PHE 22 HA PHE 22 59.436 -3.440 0.891 153 1HB PHE 22 HB2 PHE 22 59.551 -0.525 1.711 154 2HB PHE 22 HB1 PHE 22 60.872 -1.515 1.089 155 HD1 PHE 22 HD1 PHE 22 58.832 -2.936 -0.938 156 HD2 PHE 22 HD2 PHE 22 59.954 1.129 -0.115 157 HE1 PHE 22 HE1 PHE 22 58.221 -2.297 -3.254 158 HE2 PHE 22 HE2 PHE 22 59.343 1.767 -2.432 159 HZ PHE 22 HZ PHE 22 58.477 0.053 -4.002 160 H LYS 23 HN LYS 23 57.703 -1.683 3.412 161 HA LYS 23 HA LYS 23 59.476 -2.016 5.573 162 1HB LYS 23 HB2 LYS 23 57.046 -0.936 5.386 163 2HB LYS 23 HB1 LYS 23 56.562 -2.503 6.036 164 1HG LYS 23 HG2 LYS 23 58.861 -1.098 7.333 165 2HG LYS 23 HG1 LYS 23 57.234 -0.493 7.651 166 1HD LYS 23 HD2 LYS 23 56.528 -2.544 8.591 167 2HD LYS 23 HD1 LYS 23 57.885 -3.430 7.895 168 1HE LYS 23 HE2 LYS 23 59.230 -1.600 9.377 169 2HE LYS 23 HE1 LYS 23 57.771 -1.772 10.352 170 1HZ LYS 23 HZ2 LYS 23 59.208 -4.144 9.345 171 2HZ LYS 23 HZ1 LYS 23 59.705 -3.369 10.774 172 3HZ LYS 23 HZ3 LYS 23 58.143 -4.022 10.663 173 H ALA 24 HN ALA 24 56.949 -4.274 4.440 174 HA ALA 24 HA ALA 24 57.344 -6.325 6.314 175 1HB ALA 24 HB3 ALA 24 55.628 -6.202 4.414 176 2HB ALA 24 HB2 ALA 24 56.896 -6.848 3.372 177 3HB ALA 24 HB1 ALA 24 56.314 -7.792 4.744 178 H ALA 25 HN ALA 25 59.281 -5.476 3.489 179 HA ALA 25 HA ALA 25 60.921 -7.857 3.551 180 1HB ALA 25 HB3 ALA 25 60.586 -6.014 1.675 181 2HB ALA 25 HB2 ALA 25 61.956 -5.254 2.486 182 3HB ALA 25 HB1 ALA 25 62.117 -6.878 1.817 183 H PHE 26 HN PHE 26 61.199 -4.619 4.983 184 HA PHE 26 HA PHE 26 63.838 -4.725 5.928 185 1HB PHE 26 HB2 PHE 26 62.094 -2.842 6.193 186 2HB PHE 26 HB1 PHE 26 61.562 -3.708 7.635 187 HD1 PHE 26 HD1 PHE 26 64.858 -2.818 6.062 188 HD2 PHE 26 HD2 PHE 26 62.455 -2.897 9.620 189 HE1 PHE 26 HE1 PHE 26 66.732 -1.827 7.348 190 HE2 PHE 26 HE2 PHE 26 64.328 -1.906 10.908 191 HZ PHE 26 HZ PHE 26 66.467 -1.370 9.772 192 H ASP 27 HN ASP 27 61.010 -5.556 7.956 193 HA ASP 27 HA ASP 27 62.472 -6.907 9.964 194 1HB ASP 27 HB2 ASP 27 60.128 -6.235 10.250 195 2HB ASP 27 HB1 ASP 27 59.632 -7.414 9.035 196 H MET 28 HN MET 28 61.782 -7.933 6.741 197 HA MET 28 HA MET 28 61.805 -10.775 7.251 198 1HB MET 28 HB2 MET 28 60.895 -10.440 5.180 199 2HB MET 28 HB1 MET 28 61.851 -8.997 4.875 200 1HG MET 28 HG2 MET 28 62.559 -10.720 3.329 201 2HG MET 28 HG1 MET 28 63.846 -10.471 4.507 202 1HE MET 28 HE3 MET 28 65.003 -11.900 5.273 203 2HE MET 28 HE2 MET 28 64.684 -13.524 5.879 204 3HE MET 28 HE1 MET 28 64.934 -13.269 4.153 205 H PHE 29 HN PHE 29 64.347 -8.533 6.030 206 HA PHE 29 HA PHE 29 66.335 -10.680 6.454 207 1HB PHE 29 HB2 PHE 29 67.774 -8.377 5.844 208 2HB PHE 29 HB1 PHE 29 67.321 -9.644 4.713 209 HD1 PHE 29 HD2 PHE 29 65.065 -9.458 3.536 210 HD2 PHE 29 HD1 PHE 29 66.895 -6.192 5.633 211 HE1 PHE 29 HE2 PHE 29 63.622 -7.860 2.304 212 HE2 PHE 29 HE1 PHE 29 65.451 -4.592 4.409 213 HZ PHE 29 HZ PHE 29 63.814 -5.425 2.742 214 H ASP 30 HN ASP 30 64.796 -9.058 8.603 215 HA ASP 30 HA ASP 30 67.069 -7.841 10.059 216 1HB ASP 30 HB2 ASP 30 64.668 -6.867 9.932 217 2HB ASP 30 HB1 ASP 30 64.252 -8.118 11.104 218 H ALA 31 HN ALA 31 68.246 -9.824 10.469 219 HA ALA 31 HA ALA 31 66.975 -12.009 11.918 220 1HB ALA 31 HB2 ALA 31 69.415 -11.599 10.532 221 2HB ALA 31 HB1 ALA 31 69.841 -12.010 12.193 222 3HB ALA 31 HB3 ALA 31 68.826 -13.100 11.248 223 H ASP 32 HN ASP 32 68.744 -9.100 12.764 224 HA ASP 32 HA ASP 32 69.173 -9.936 15.538 225 1HB ASP 32 HB2 ASP 32 69.699 -7.476 13.919 226 2HB ASP 32 HB1 ASP 32 69.620 -7.313 15.673 227 H GLY 33 HN GLY 33 66.594 -8.570 13.734 228 1HA GLY 33 HA2 GLY 33 64.502 -7.738 14.391 229 2HA GLY 33 HA1 GLY 33 64.754 -8.637 15.888 230 H GLY 34 HN GLY 34 67.027 -6.172 14.915 231 1HA GLY 34 HA2 GLY 34 66.206 -4.585 17.292 232 2HA GLY 34 HA1 GLY 34 67.763 -4.463 16.470 233 H GLY 35 HN GLY 35 65.870 -4.602 13.918 234 1HA GLY 35 HA2 GLY 35 64.462 -2.982 12.791 235 2HA GLY 35 HA1 GLY 35 64.920 -1.786 14.005 236 H ASP 36 HN ASP 36 67.447 -3.757 12.719 237 HA ASP 36 HA ASP 36 68.154 -1.786 10.639 238 1HB ASP 36 HB2 ASP 36 70.421 -1.436 11.617 239 2HB ASP 36 HB1 ASP 36 69.138 -0.795 12.646 240 H ILE 37 HN ILE 37 69.329 -2.746 9.004 241 HA ILE 37 HA ILE 37 70.220 -5.561 9.491 242 HB ILE 37 HB ILE 37 68.564 -5.907 7.926 243 1HG1 ILE 37 HG12 ILE 37 70.911 -5.016 6.219 244 2HG1 ILE 37 HG11 ILE 37 70.563 -6.654 6.771 245 1HG2 ILE 37 HG21 ILE 37 67.906 -3.512 7.890 246 2HG2 ILE 37 HG23 ILE 37 69.175 -3.202 6.704 247 3HG2 ILE 37 HG22 ILE 37 67.819 -4.251 6.291 248 1HD1 ILE 37 HD13 ILE 37 68.633 -5.085 5.051 249 2HD1 ILE 37 HD12 ILE 37 69.890 -6.111 4.363 250 3HD1 ILE 37 HD11 ILE 37 68.635 -6.816 5.377 251 H SER 38 HN SER 38 71.997 -6.212 7.911 252 HA SER 38 HA SER 38 74.067 -4.100 7.942 253 1HB SER 38 HB2 SER 38 75.599 -5.810 7.920 254 2HB SER 38 HB1 SER 38 74.228 -6.746 8.504 255 HG SER 38 HG SER 38 75.064 -7.808 6.743 256 H THR 39 HN THR 39 75.125 -3.394 5.997 257 HA THR 39 HA THR 39 73.394 -3.281 3.703 258 HB THR 39 HB THR 39 75.054 -1.953 2.668 259 HG1 THR 39 HG1 THR 39 77.176 -2.143 3.114 260 1HG2 THR 39 HG22 THR 39 74.618 -1.646 5.555 261 2HG2 THR 39 HG21 THR 39 76.077 -0.841 4.978 262 3HG2 THR 39 HG23 THR 39 74.512 -0.448 4.267 263 H LYS 40 HN LYS 40 75.766 -5.552 4.740 264 HA LYS 40 HA LYS 40 76.404 -6.578 2.088 265 1HB LYS 40 HB2 LYS 40 76.789 -7.716 4.871 266 2HB LYS 40 HB1 LYS 40 77.353 -8.516 3.403 267 1HG LYS 40 HG2 LYS 40 78.862 -6.748 2.893 268 2HG LYS 40 HG1 LYS 40 78.101 -5.662 4.057 269 1HD LYS 40 HD2 LYS 40 78.876 -7.059 5.912 270 2HD LYS 40 HD1 LYS 40 79.577 -8.213 4.778 271 1HE LYS 40 HE2 LYS 40 80.383 -5.308 4.715 272 2HE LYS 40 HE1 LYS 40 81.149 -6.435 5.835 273 1HZ LYS 40 HZ1 LYS 40 81.020 -7.628 3.300 274 2HZ LYS 40 HZ3 LYS 40 81.683 -6.079 3.119 275 3HZ LYS 40 HZ2 LYS 40 82.398 -7.187 4.191 276 H ALA 41 HN ALA 41 73.702 -6.809 4.120 277 HA ALA 41 HA ALA 41 72.916 -9.498 3.194 278 1HB ALA 41 HB2 ALA 41 71.923 -7.538 5.202 279 2HB ALA 41 HB1 ALA 41 70.721 -8.604 4.475 280 3HB ALA 41 HB3 ALA 41 72.104 -9.287 5.331 281 H LEU 42 HN LEU 42 72.891 -6.531 1.758 282 HA LEU 42 HA LEU 42 70.207 -6.307 0.786 283 1HB LEU 42 HB2 LEU 42 72.875 -5.318 -0.197 284 2HB LEU 42 HB1 LEU 42 71.458 -5.156 -1.229 285 HG LEU 42 HG LEU 42 71.495 -3.120 -0.059 286 1HD1 LEU 42 HD11 LEU 42 69.308 -4.420 0.184 287 2HD1 LEU 42 HD13 LEU 42 69.828 -4.792 1.828 288 3HD1 LEU 42 HD12 LEU 42 69.570 -3.117 1.342 289 1HD2 LEU 42 HD23 LEU 42 72.442 -4.804 2.242 290 2HD2 LEU 42 HD22 LEU 42 73.192 -3.376 1.527 291 3HD2 LEU 42 HD21 LEU 42 71.753 -3.208 2.532 292 H GLY 43 HN GLY 43 73.086 -7.842 -0.677 293 1HA GLY 43 HA2 GLY 43 72.088 -8.754 -3.073 294 2HA GLY 43 HA1 GLY 43 73.149 -9.751 -2.077 295 H THR 44 HN THR 44 71.253 -9.976 0.134 296 HA THR 44 HA THR 44 69.709 -12.227 -0.877 297 HB THR 44 HB THR 44 69.875 -10.866 1.823 298 HG1 THR 44 HG1 THR 44 71.122 -12.554 2.304 299 1HG2 THR 44 HG23 THR 44 67.852 -12.691 0.767 300 2HG2 THR 44 HG22 THR 44 68.667 -13.339 2.191 301 3HG2 THR 44 HG21 THR 44 67.858 -11.774 2.274 302 H VAL 45 HN VAL 45 68.892 -8.994 0.400 303 HA VAL 45 HA VAL 45 66.075 -9.214 0.228 304 HB VAL 45 HB VAL 45 67.763 -6.745 -0.276 305 1HG1 VAL 45 HG13 VAL 45 64.958 -7.189 -0.367 306 2HG1 VAL 45 HG12 VAL 45 65.294 -6.303 1.120 307 3HG1 VAL 45 HG11 VAL 45 65.808 -5.646 -0.432 308 1HG2 VAL 45 HG23 VAL 45 67.171 -8.337 2.135 309 2HG2 VAL 45 HG22 VAL 45 68.453 -7.160 1.854 310 3HG2 VAL 45 HG21 VAL 45 66.839 -6.613 2.308 311 H MET 46 HN MET 46 68.298 -7.791 -2.203 312 HA MET 46 HA MET 46 66.479 -7.216 -4.218 313 1HB MET 46 HB2 MET 46 69.180 -8.525 -4.654 314 2HB MET 46 HB1 MET 46 68.300 -7.526 -5.811 315 1HG MET 46 HG2 MET 46 69.479 -6.650 -3.161 316 2HG MET 46 HG1 MET 46 69.964 -6.121 -4.774 317 1HE MET 46 HE3 MET 46 70.053 -4.063 -4.125 318 2HE MET 46 HE2 MET 46 68.968 -3.345 -5.314 319 3HE MET 46 HE1 MET 46 68.787 -2.941 -3.608 320 H ARG 47 HN ARG 47 68.149 -10.367 -3.813 321 HA ARG 47 HA ARG 47 66.856 -11.762 -5.875 322 1HB ARG 47 HB2 ARG 47 68.652 -12.462 -3.974 323 2HB ARG 47 HB1 ARG 47 67.212 -13.249 -3.330 324 1HG ARG 47 HG2 ARG 47 66.848 -14.250 -5.624 325 2HG ARG 47 HG1 ARG 47 68.436 -13.627 -6.075 326 1HD ARG 47 HD2 ARG 47 69.546 -15.000 -4.488 327 2HD ARG 47 HD1 ARG 47 68.046 -15.362 -3.634 328 HE ARG 47 HE ARG 47 68.479 -16.336 -6.424 329 1HH1 ARG 47 HH11 ARG 47 66.161 -16.690 -4.241 330 2HH1 ARG 47 HH12 ARG 47 66.375 -18.378 -3.916 331 1HH2 ARG 47 HH21 ARG 47 69.446 -18.569 -5.516 332 2HH2 ARG 47 HH22 ARG 47 68.235 -19.441 -4.637 333 H MET 48 HN MET 48 65.707 -11.077 -2.591 334 HA MET 48 HA MET 48 63.340 -12.707 -2.767 335 1HB MET 48 HB2 MET 48 64.345 -10.549 -0.974 336 2HB MET 48 HB1 MET 48 62.606 -10.849 -0.968 337 1HG MET 48 HG2 MET 48 63.057 -13.267 -0.569 338 2HG MET 48 HG1 MET 48 64.781 -12.907 -0.481 339 1HE MET 48 HE2 MET 48 65.978 -12.333 1.249 340 2HE MET 48 HE1 MET 48 65.523 -10.633 1.334 341 3HE MET 48 HE3 MET 48 65.523 -11.627 2.798 342 H LEU 49 HN LEU 49 63.431 -9.132 -2.660 343 HA LEU 49 HA LEU 49 60.894 -8.585 -3.592 344 1HB LEU 49 HB2 LEU 49 63.269 -7.069 -4.682 345 2HB LEU 49 HB1 LEU 49 61.669 -6.449 -4.276 346 HG LEU 49 HG LEU 49 63.857 -7.338 -2.391 347 1HD1 LEU 49 HD11 LEU 49 62.553 -4.807 -3.193 348 2HD1 LEU 49 HD13 LEU 49 62.801 -5.001 -1.457 349 3HD1 LEU 49 HD12 LEU 49 64.175 -5.087 -2.560 350 1HD2 LEU 49 HD21 LEU 49 60.935 -6.803 -1.759 351 2HD2 LEU 49 HD23 LEU 49 61.746 -8.363 -1.635 352 3HD2 LEU 49 HD22 LEU 49 62.206 -7.041 -0.561 353 H GLY 50 HN GLY 50 63.560 -9.887 -5.446 354 1HA GLY 50 HA2 GLY 50 62.891 -11.231 -7.444 355 2HA GLY 50 HA1 GLY 50 61.759 -9.936 -7.836 356 H GLN 51 HN GLN 51 63.278 -7.674 -7.525 357 HA GLN 51 HA GLN 51 64.876 -7.681 -9.923 358 1HB GLN 51 HB2 GLN 51 65.455 -5.365 -9.275 359 2HB GLN 51 HB1 GLN 51 63.722 -5.653 -9.119 360 1HG GLN 51 HG2 GLN 51 63.811 -5.727 -6.781 361 2HG GLN 51 HG1 GLN 51 65.534 -6.106 -6.761 362 1HE2 GLN 51 HE22 GLN 51 64.726 -2.228 -7.847 363 2HE2 GLN 51 HE21 GLN 51 63.889 -3.498 -8.601 364 H ASN 52 HN ASN 52 67.129 -7.705 -10.148 365 HA ASN 52 HA ASN 52 68.816 -7.826 -7.728 366 1HB ASN 52 HB2 ASN 52 68.086 -10.167 -8.077 367 2HB ASN 52 HB1 ASN 52 68.712 -10.107 -9.725 368 1HD2 ASN 52 HD22 ASN 52 71.315 -11.492 -7.318 369 2HD2 ASN 52 HD21 ASN 52 69.682 -11.885 -7.564 370 HA PRO 53 HA PRO 53 70.986 -5.690 -11.083 371 1HB PRO 53 HB2 PRO 53 72.381 -4.041 -9.381 372 2HB PRO 53 HB1 PRO 53 70.737 -3.699 -9.948 373 1HG PRO 53 HG2 PRO 53 71.641 -4.651 -7.269 374 2HG PRO 53 HG1 PRO 53 70.196 -3.721 -7.700 375 1HD PRO 53 HD2 PRO 53 70.274 -6.494 -7.143 376 2HD PRO 53 HD1 PRO 53 68.925 -5.619 -7.898 377 H THR 54 HN THR 54 73.544 -5.116 -11.071 378 HA THR 54 HA THR 54 74.885 -7.670 -10.520 379 HB THR 54 HB THR 54 76.870 -6.438 -11.557 380 HG1 THR 54 HG1 THR 54 75.975 -4.346 -11.032 381 1HG2 THR 54 HG23 THR 54 74.261 -6.651 -13.085 382 2HG2 THR 54 HG22 THR 54 75.848 -6.479 -13.836 383 3HG2 THR 54 HG21 THR 54 75.471 -7.920 -12.890 384 H LYS 55 HN LYS 55 76.700 -7.900 -9.116 385 HA LYS 55 HA LYS 55 76.564 -6.600 -6.620 386 1HB LYS 55 HB2 LYS 55 78.297 -8.512 -7.911 387 2HB LYS 55 HB1 LYS 55 79.267 -7.354 -7.000 388 1HG LYS 55 HG2 LYS 55 77.518 -7.746 -5.103 389 2HG LYS 55 HG1 LYS 55 77.118 -9.210 -6.000 390 1HD LYS 55 HD2 LYS 55 79.596 -9.773 -5.971 391 2HD LYS 55 HD1 LYS 55 79.802 -8.443 -4.829 392 1HE LYS 55 HE2 LYS 55 77.946 -9.580 -3.447 393 2HE LYS 55 HE1 LYS 55 78.226 -10.992 -4.466 394 1HZ LYS 55 HZ1 LYS 55 80.721 -10.127 -3.699 395 2HZ LYS 55 HZ3 LYS 55 79.775 -10.010 -2.297 396 3HZ LYS 55 HZ2 LYS 55 79.894 -11.493 -3.119 397 H GLU 56 HN GLU 56 78.073 -5.580 -9.585 398 HA GLU 56 HA GLU 56 79.957 -3.713 -8.520 399 1HB GLU 56 HB2 GLU 56 78.415 -3.689 -11.131 400 2HB GLU 56 HB1 GLU 56 79.760 -2.610 -10.763 401 1HG GLU 56 HG2 GLU 56 81.015 -4.857 -10.186 402 2HG GLU 56 HG1 GLU 56 79.784 -5.574 -11.227 403 H GLU 57 HN GLU 57 76.605 -3.195 -9.675 404 HA GLU 57 HA GLU 57 76.555 -0.437 -8.806 405 1HB GLU 57 HB2 GLU 57 74.339 -2.379 -9.516 406 2HB GLU 57 HB1 GLU 57 74.069 -0.673 -9.159 407 1HG GLU 57 HG2 GLU 57 76.218 -0.920 -11.061 408 2HG GLU 57 HG1 GLU 57 74.811 -1.812 -11.645 409 H LEU 58 HN LEU 58 75.835 -3.505 -7.274 410 HA LEU 58 HA LEU 58 74.250 -2.532 -5.106 411 1HB LEU 58 HB2 LEU 58 74.400 -4.914 -5.534 412 2HB LEU 58 HB1 LEU 58 76.144 -4.892 -5.271 413 HG LEU 58 HG LEU 58 75.717 -4.101 -2.926 414 1HD1 LEU 58 HD12 LEU 58 73.165 -3.607 -3.905 415 2HD1 LEU 58 HD11 LEU 58 72.949 -5.051 -2.916 416 3HD1 LEU 58 HD13 LEU 58 73.634 -3.590 -2.205 417 1HD2 LEU 58 HD21 LEU 58 76.084 -6.510 -3.508 418 2HD2 LEU 58 HD23 LEU 58 75.059 -6.297 -2.088 419 3HD2 LEU 58 HD22 LEU 58 74.337 -6.707 -3.645 420 H ASP 59 HN ASP 59 77.761 -3.262 -5.178 421 HA ASP 59 HA ASP 59 78.339 -2.203 -2.610 422 1HB ASP 59 HB2 ASP 59 80.104 -2.309 -5.075 423 2HB ASP 59 HB1 ASP 59 80.677 -2.021 -3.430 424 H ALA 60 HN ALA 60 78.500 -0.610 -5.809 425 HA ALA 60 HA ALA 60 79.325 1.940 -4.804 426 1HB ALA 60 HB1 ALA 60 78.308 0.851 -7.339 427 2HB ALA 60 HB3 ALA 60 77.851 2.532 -7.060 428 3HB ALA 60 HB2 ALA 60 79.553 2.068 -7.058 429 H ILE 61 HN ILE 61 76.246 0.332 -4.848 430 HA ILE 61 HA ILE 61 74.670 2.762 -4.482 431 HB ILE 61 HB ILE 61 74.087 -0.195 -4.298 432 1HG1 ILE 61 HG12 ILE 61 72.710 1.912 -5.961 433 2HG1 ILE 61 HG11 ILE 61 74.240 1.207 -6.482 434 1HG2 ILE 61 HG21 ILE 61 72.337 2.131 -3.472 435 2HG2 ILE 61 HG23 ILE 61 71.666 0.573 -3.955 436 3HG2 ILE 61 HG22 ILE 61 72.721 0.680 -2.547 437 1HD1 ILE 61 HD12 ILE 61 72.088 -0.665 -5.598 438 2HD1 ILE 61 HD11 ILE 61 71.898 0.118 -7.167 439 3HD1 ILE 61 HD13 ILE 61 73.317 -0.877 -6.845 440 H ILE 62 HN ILE 62 76.203 0.358 -2.408 441 HA ILE 62 HA ILE 62 74.892 1.062 0.034 442 HB ILE 62 HB ILE 62 77.680 -0.026 -0.463 443 1HG1 ILE 62 HG12 ILE 62 75.075 -1.365 0.337 444 2HG1 ILE 62 HG11 ILE 62 75.830 -1.463 -1.254 445 1HG2 ILE 62 HG21 ILE 62 76.553 1.041 1.915 446 2HG2 ILE 62 HG23 ILE 62 76.550 -0.715 2.092 447 3HG2 ILE 62 HG22 ILE 62 78.058 0.135 1.750 448 1HD1 ILE 62 HD13 ILE 62 77.321 -2.270 1.242 449 2HD1 ILE 62 HD12 ILE 62 76.278 -3.407 0.388 450 3HD1 ILE 62 HD11 ILE 62 77.671 -2.702 -0.432 451 H GLU 63 HN GLU 63 77.867 2.299 -1.491 452 HA GLU 63 HA GLU 63 78.540 4.120 0.621 453 1HB GLU 63 HB2 GLU 63 79.997 5.189 -1.031 454 2HB GLU 63 HB1 GLU 63 80.114 3.436 -1.187 455 1HG GLU 63 HG2 GLU 63 79.394 3.532 -3.316 456 2HG GLU 63 HG1 GLU 63 77.947 4.411 -2.822 457 H GLU 64 HN GLU 64 75.955 4.135 -1.568 458 HA GLU 64 HA GLU 64 75.695 7.099 -1.467 459 1HB GLU 64 HB2 GLU 64 74.227 4.975 -3.054 460 2HB GLU 64 HB1 GLU 64 73.782 6.681 -3.067 461 1HG GLU 64 HG2 GLU 64 76.651 6.118 -3.537 462 2HG GLU 64 HG1 GLU 64 75.556 5.578 -4.812 463 H VAL 65 HN VAL 65 74.220 4.124 -0.313 464 HA VAL 65 HA VAL 65 71.842 5.465 0.732 465 HB VAL 65 HB VAL 65 72.967 2.719 1.361 466 1HG1 VAL 65 HG13 VAL 65 70.761 4.238 2.428 467 2HG1 VAL 65 HG12 VAL 65 70.144 2.833 1.560 468 3HG1 VAL 65 HG11 VAL 65 71.303 2.620 2.872 469 1HG2 VAL 65 HG23 VAL 65 72.466 3.077 -1.053 470 2HG2 VAL 65 HG22 VAL 65 71.367 1.914 -0.313 471 3HG2 VAL 65 HG21 VAL 65 70.828 3.565 -0.619 472 H ASP 66 HN ASP 66 75.027 4.590 1.929 473 HA ASP 66 HA ASP 66 74.288 5.278 4.702 474 1HB ASP 66 HB2 ASP 66 76.568 3.972 3.350 475 2HB ASP 66 HB1 ASP 66 77.006 4.985 4.725 476 H GLU 67 HN GLU 67 73.708 7.535 3.821 477 HA GLU 67 HA GLU 67 75.799 9.315 2.969 478 1HB GLU 67 HB2 GLU 67 73.143 9.895 4.315 479 2HB GLU 67 HB1 GLU 67 74.177 11.113 3.569 480 1HG GLU 67 HG2 GLU 67 73.166 8.693 2.062 481 2HG GLU 67 HG1 GLU 67 72.293 10.224 2.099 482 H ASP 68 HN ASP 68 75.080 7.933 6.004 483 HA ASP 68 HA ASP 68 76.498 10.118 7.452 484 1HB ASP 68 HB2 ASP 68 75.764 8.685 9.487 485 2HB ASP 68 HB1 ASP 68 74.516 9.577 8.616 486 H GLY 69 HN GLY 69 76.826 6.832 6.358 487 1HA GLY 69 HA2 GLY 69 78.768 5.496 6.298 488 2HA GLY 69 HA1 GLY 69 79.650 6.824 7.053 489 H SER 70 HN SER 70 76.715 5.529 8.469 490 HA SER 70 HA SER 70 78.101 4.983 10.963 491 1HB SER 70 HB2 SER 70 75.864 4.108 11.686 492 2HB SER 70 HB1 SER 70 75.792 5.740 11.026 493 HG SER 70 HG SER 70 74.226 4.062 10.245 494 H GLY 71 HN GLY 71 77.510 3.192 8.102 495 1HA GLY 71 HA2 GLY 71 78.352 1.035 7.582 496 2HA GLY 71 HA1 GLY 71 78.807 0.838 9.274 497 H THR 72 HN THR 72 75.596 1.920 8.815 498 HA THR 72 HA THR 72 74.521 -0.851 8.865 499 HB THR 72 HB THR 72 72.934 0.213 10.747 500 HG1 THR 72 HG1 THR 72 74.771 1.277 12.099 501 1HG2 THR 72 HG22 THR 72 75.637 -1.095 11.030 502 2HG2 THR 72 HG21 THR 72 74.624 -0.756 12.434 503 3HG2 THR 72 HG23 THR 72 74.044 -1.836 11.166 504 H ILE 73 HN ILE 73 72.360 -0.982 8.101 505 HA ILE 73 HA ILE 73 71.401 1.513 6.769 506 HB ILE 73 HB ILE 73 70.803 -1.397 6.153 507 1HG1 ILE 73 HG12 ILE 73 73.120 -0.439 5.601 508 2HG1 ILE 73 HG11 ILE 73 72.219 -1.125 4.249 509 1HG2 ILE 73 HG23 ILE 73 68.911 0.143 5.669 510 2HG2 ILE 73 HG22 ILE 73 69.990 1.128 4.679 511 3HG2 ILE 73 HG21 ILE 73 69.615 -0.526 4.198 512 1HD1 ILE 73 HD12 ILE 73 71.602 1.703 4.675 513 2HD1 ILE 73 HD11 ILE 73 73.313 1.430 4.340 514 3HD1 ILE 73 HD13 ILE 73 72.091 0.874 3.196 515 H ASP 74 HN ASP 74 69.281 2.202 7.132 516 HA ASP 74 HA ASP 74 67.698 0.610 9.111 517 1HB ASP 74 HB2 ASP 74 68.231 3.585 9.009 518 2HB ASP 74 HB1 ASP 74 66.861 2.913 9.894 519 H PHE 75 HN PHE 75 65.330 1.074 8.972 520 HA PHE 75 HA PHE 75 64.228 0.717 6.462 521 1HB PHE 75 HB2 PHE 75 63.065 0.718 8.767 522 2HB PHE 75 HB1 PHE 75 62.838 2.447 8.508 523 HD1 PHE 75 HD2 PHE 75 62.772 -0.378 6.064 524 HD2 PHE 75 HD1 PHE 75 60.552 2.729 8.027 525 HE1 PHE 75 HE2 PHE 75 60.822 -0.850 4.605 526 HE2 PHE 75 HE1 PHE 75 58.602 2.259 6.569 527 HZ PHE 75 HZ PHE 75 58.736 0.468 4.859 528 H GLU 76 HN GLU 76 64.974 3.832 8.014 529 HA GLU 76 HA GLU 76 63.822 5.507 6.018 530 1HB GLU 76 HB2 GLU 76 65.870 5.820 8.154 531 2HB GLU 76 HB1 GLU 76 65.888 7.023 6.865 532 1HG GLU 76 HG2 GLU 76 63.720 7.767 7.348 533 2HG GLU 76 HG1 GLU 76 63.289 6.272 8.180 534 H GLU 77 HN GLU 77 67.117 4.165 6.304 535 HA GLU 77 HA GLU 77 68.038 5.395 3.847 536 1HB GLU 77 HB2 GLU 77 69.140 3.003 5.356 537 2HB GLU 77 HB1 GLU 77 69.987 3.909 4.102 538 1HG GLU 77 HG2 GLU 77 69.834 5.955 5.489 539 2HG GLU 77 HG1 GLU 77 69.024 5.027 6.751 540 H PHE 78 HN PHE 78 66.131 2.626 4.568 541 HA PHE 78 HA PHE 78 66.802 1.001 2.294 542 1HB PHE 78 HB2 PHE 78 65.150 0.736 4.504 543 2HB PHE 78 HB1 PHE 78 64.007 0.845 3.165 544 HD1 PHE 78 HD1 PHE 78 66.882 -1.040 4.536 545 HD2 PHE 78 HD2 PHE 78 63.866 -0.876 1.484 546 HE1 PHE 78 HE1 PHE 78 67.400 -3.380 3.900 547 HE2 PHE 78 HE2 PHE 78 64.381 -3.217 0.847 548 HZ PHE 78 HZ PHE 78 66.149 -4.470 2.056 549 H LEU 79 HN LEU 79 63.934 3.078 2.845 550 HA LEU 79 HA LEU 79 62.764 3.005 0.348 551 1HB LEU 79 HB2 LEU 79 63.216 5.521 1.984 552 2HB LEU 79 HB1 LEU 79 61.971 5.296 0.754 553 HG LEU 79 HG LEU 79 62.237 3.732 3.337 554 1HD1 LEU 79 HD11 LEU 79 60.255 5.799 2.346 555 2HD1 LEU 79 HD13 LEU 79 59.978 4.784 3.761 556 3HD1 LEU 79 HD12 LEU 79 61.321 5.928 3.745 557 1HD2 LEU 79 HD22 LEU 79 60.685 3.310 0.832 558 2HD2 LEU 79 HD21 LEU 79 61.260 2.131 2.011 559 3HD2 LEU 79 HD23 LEU 79 59.808 3.074 2.345 560 H VAL 80 HN VAL 80 65.742 4.668 1.239 561 HA VAL 80 HA VAL 80 66.009 6.135 -1.237 562 HB VAL 80 HB VAL 80 68.017 5.290 0.868 563 1HG1 VAL 80 HG11 VAL 80 68.356 6.658 -1.767 564 2HG1 VAL 80 HG13 VAL 80 69.291 7.266 -0.400 565 3HG1 VAL 80 HG12 VAL 80 69.463 5.587 -0.908 566 1HG2 VAL 80 HG22 VAL 80 66.073 7.131 1.088 567 2HG2 VAL 80 HG21 VAL 80 67.665 7.364 1.812 568 3HG2 VAL 80 HG23 VAL 80 67.281 8.119 0.264 569 H MET 81 HN MET 81 67.400 3.070 -0.052 570 HA MET 81 HA MET 81 68.989 2.395 -2.255 571 1HB MET 81 HB2 MET 81 68.437 1.128 0.014 572 2HB MET 81 HB1 MET 81 67.310 0.252 -1.020 573 1HG MET 81 HG2 MET 81 69.070 -0.453 -2.489 574 2HG MET 81 HG1 MET 81 70.226 0.638 -1.726 575 1HE MET 81 HE1 MET 81 70.267 0.797 0.714 576 2HE MET 81 HE3 MET 81 69.180 -0.209 1.679 577 3HE MET 81 HE2 MET 81 70.905 -0.564 1.632 578 H MET 82 HN MET 82 65.485 1.902 -1.848 579 HA MET 82 HA MET 82 65.167 0.544 -4.382 580 1HB MET 82 HB2 MET 82 62.970 2.077 -3.001 581 2HB MET 82 HB1 MET 82 62.852 0.592 -3.941 582 1HG MET 82 HG2 MET 82 64.045 0.930 -1.179 583 2HG MET 82 HG1 MET 82 62.641 -0.035 -1.633 584 1HE MET 82 HE2 MET 82 62.656 -1.467 -3.486 585 2HE MET 82 HE1 MET 82 64.071 -1.833 -4.469 586 3HE MET 82 HE3 MET 82 63.533 -2.973 -3.227 587 H VAL 83 HN VAL 83 64.256 3.855 -3.345 588 HA VAL 83 HA VAL 83 63.496 4.788 -5.906 589 HB VAL 83 HB VAL 83 64.867 6.502 -3.825 590 1HG1 VAL 83 HG11 VAL 83 64.254 7.514 -6.023 591 2HG1 VAL 83 HG13 VAL 83 62.578 7.039 -5.744 592 3HG1 VAL 83 HG12 VAL 83 63.350 8.216 -4.681 593 1HG2 VAL 83 HG23 VAL 83 62.628 4.801 -3.426 594 2HG2 VAL 83 HG22 VAL 83 63.216 6.071 -2.353 595 3HG2 VAL 83 HG21 VAL 83 61.996 6.442 -3.571 596 H ARG 84 HN ARG 84 66.616 3.968 -4.741 597 HA ARG 84 HA ARG 84 68.301 5.758 -6.121 598 1HB ARG 84 HB2 ARG 84 68.593 2.817 -5.479 599 2HB ARG 84 HB1 ARG 84 69.874 3.732 -6.275 600 1HG ARG 84 HG2 ARG 84 69.194 5.396 -4.191 601 2HG ARG 84 HG1 ARG 84 68.993 3.799 -3.470 602 1HD ARG 84 HD2 ARG 84 71.221 3.609 -3.270 603 2HD ARG 84 HD1 ARG 84 71.388 3.751 -5.020 604 HE ARG 84 HE ARG 84 71.857 5.881 -3.072 605 1HH1 ARG 84 HH21 ARG 84 70.463 7.720 -4.405 606 2HH1 ARG 84 HH22 ARG 84 71.255 8.038 -5.913 607 1HH2 ARG 84 HH11 ARG 84 73.137 5.126 -5.843 608 2HH2 ARG 84 HH12 ARG 84 72.768 6.569 -6.728 609 H GLN 85 HN GLN 85 66.954 2.656 -7.314 610 HA GLN 85 HA GLN 85 66.942 3.795 -10.043 611 1HB GLN 85 HB2 GLN 85 68.221 2.007 -11.021 612 2HB GLN 85 HB1 GLN 85 69.177 2.651 -9.685 613 1HG GLN 85 HG2 GLN 85 67.416 0.604 -8.687 614 2HG GLN 85 HG1 GLN 85 68.321 -0.028 -10.064 615 1HE2 GLN 85 HE22 GLN 85 70.538 1.380 -6.886 616 2HE2 GLN 85 HE21 GLN 85 69.095 2.174 -7.297 617 H MET 86 HN MET 86 64.826 3.080 -8.220 618 HA MET 86 HA MET 86 63.755 0.551 -9.359 619 1HB MET 86 HB2 MET 86 62.127 0.614 -7.589 620 2HB MET 86 HB1 MET 86 63.684 1.013 -6.863 621 1HG MET 86 HG2 MET 86 62.787 2.933 -6.107 622 2HG MET 86 HG1 MET 86 62.594 3.455 -7.782 623 1HE MET 86 HE2 MET 86 60.730 4.937 -6.748 624 2HE MET 86 HE1 MET 86 59.220 4.354 -6.057 625 3HE MET 86 HE3 MET 86 60.733 4.186 -5.155 626 H LYS 87 HN LYS 87 63.640 3.880 -9.912 627 HA LYS 87 HA LYS 87 60.877 4.170 -10.684 628 1HB LYS 87 HB2 LYS 87 63.377 5.701 -11.454 629 2HB LYS 87 HB1 LYS 87 61.755 6.171 -11.965 630 1HG LYS 87 HG2 LYS 87 61.345 5.836 -9.298 631 2HG LYS 87 HG1 LYS 87 63.026 6.375 -9.298 632 1HD LYS 87 HD2 LYS 87 61.139 7.866 -11.053 633 2HD LYS 87 HD1 LYS 87 60.970 8.107 -9.315 634 1HE LYS 87 HE2 LYS 87 63.705 8.225 -9.672 635 2HE LYS 87 HE1 LYS 87 63.094 9.013 -11.126 636 1HZ LYS 87 HZ3 LYS 87 61.653 10.366 -9.639 637 2HZ LYS 87 HZ2 LYS 87 62.481 9.710 -8.308 638 3HZ LYS 87 HZ1 LYS 87 63.313 10.657 -9.447 639 H GLU 88 HN GLU 88 63.854 3.623 -12.597 640 HA GLU 88 HA GLU 88 62.181 2.217 -14.612 641 1HB GLU 88 HB2 GLU 88 63.733 3.463 -16.347 642 2HB GLU 88 HB1 GLU 88 62.280 4.257 -15.733 643 1HG GLU 88 HG2 GLU 88 63.473 5.713 -14.390 644 2HG GLU 88 HG1 GLU 88 64.815 4.587 -14.184 645 H ASP 89 HN ASP 89 63.197 0.392 -15.354 646 HA ASP 89 HA ASP 89 65.993 -0.055 -14.437 647 1HB ASP 89 HB2 ASP 89 63.726 -1.670 -14.339 648 2HB ASP 89 HB1 ASP 89 64.651 -2.330 -15.689 649 H ALA 90 HN ALA 90 64.815 1.364 -16.989 650 HA ALA 90 HA ALA 90 66.404 -0.198 -18.980 651 1HB ALA 90 HB3 ALA 90 63.905 0.359 -19.381 652 2HB ALA 90 HB2 ALA 90 64.461 2.011 -19.653 653 3HB ALA 90 HB1 ALA 90 65.039 0.705 -20.688 No H/Q in entry = 653 Start of MODEL 14 1 1H ALA 1 HT2 ALA 1 65.691 12.179 12.978 2 2H ALA 1 HT1 ALA 1 66.174 10.864 13.940 3 3H ALA 1 HT3 ALA 1 65.236 12.106 14.614 4 HA ALA 1 HA ALA 1 67.035 13.244 15.168 5 1HB ALA 1 HB2 ALA 1 67.923 10.616 14.643 6 2HB ALA 1 HB1 ALA 1 69.124 11.685 13.918 7 3HB ALA 1 HB3 ALA 1 68.731 11.835 15.629 8 H SER 2 HN SER 2 67.459 12.011 11.838 9 HA SER 2 HA SER 2 68.158 14.800 11.037 10 1HB SER 2 HB2 SER 2 69.687 13.497 9.298 11 2HB SER 2 HB1 SER 2 70.288 13.896 10.905 12 HG SER 2 HG SER 2 69.538 11.453 9.810 13 H MET 3 HN MET 3 68.238 14.682 8.399 14 HA MET 3 HA MET 3 66.218 12.904 7.261 15 1HB MET 3 HB2 MET 3 65.510 15.587 8.229 16 2HB MET 3 HB1 MET 3 65.082 15.314 6.540 17 1HG MET 3 HG2 MET 3 63.242 14.262 7.333 18 2HG MET 3 HG1 MET 3 64.331 12.944 7.767 19 1HE MET 3 HE2 MET 3 61.530 14.633 8.883 20 2HE MET 3 HE1 MET 3 61.811 15.454 10.416 21 3HE MET 3 HE3 MET 3 62.446 16.138 8.914 22 H THR 4 HN THR 4 68.278 12.601 6.013 23 HA THR 4 HA THR 4 69.514 14.621 4.468 24 HB THR 4 HB THR 4 69.730 12.460 2.827 25 HG1 THR 4 HG1 THR 4 69.362 10.653 3.893 26 1HG2 THR 4 HG22 THR 4 71.165 13.419 5.248 27 2HG2 THR 4 HG21 THR 4 71.598 11.816 4.652 28 3HG2 THR 4 HG23 THR 4 71.751 13.221 3.596 29 H ASP 5 HN ASP 5 69.171 15.296 2.279 30 HA ASP 5 HA ASP 5 66.463 15.718 1.526 31 1HB ASP 5 HB2 ASP 5 68.719 15.666 -0.475 32 2HB ASP 5 HB1 ASP 5 67.314 16.732 -0.426 33 H GLN 6 HN GLN 6 68.790 13.220 0.553 34 HA GLN 6 HA GLN 6 67.306 12.039 -1.544 35 1HB GLN 6 HB2 GLN 6 69.053 10.666 0.523 36 2HB GLN 6 HB1 GLN 6 68.549 9.966 -1.016 37 1HG GLN 6 HG2 GLN 6 70.076 11.159 -2.195 38 2HG GLN 6 HG1 GLN 6 69.773 12.629 -1.268 39 1HE2 GLN 6 HE22 GLN 6 72.263 10.003 0.668 40 2HE2 GLN 6 HE21 GLN 6 70.781 9.451 0.049 41 H GLN 7 HN GLN 7 66.947 11.763 1.954 42 HA GLN 7 HA GLN 7 65.008 9.590 1.788 43 1HB GLN 7 HB2 GLN 7 65.424 11.481 4.113 44 2HB GLN 7 HB1 GLN 7 64.792 9.834 4.159 45 1HG GLN 7 HG2 GLN 7 67.508 10.222 2.988 46 2HG GLN 7 HG1 GLN 7 67.352 10.380 4.738 47 1HE2 GLN 7 HE22 GLN 7 67.826 6.836 4.670 48 2HE2 GLN 7 HE21 GLN 7 68.605 8.322 4.933 49 H ALA 8 HN ALA 8 64.917 13.077 1.695 50 HA ALA 8 HA ALA 8 62.116 13.361 2.357 51 1HB ALA 8 HB1 ALA 8 64.220 15.105 1.986 52 2HB ALA 8 HB3 ALA 8 63.247 15.382 0.541 53 3HB ALA 8 HB2 ALA 8 62.530 15.583 2.141 54 H GLU 9 HN GLU 9 63.903 13.178 -0.728 55 HA GLU 9 HA GLU 9 61.422 13.270 -2.280 56 1HB GLU 9 HB2 GLU 9 63.894 14.003 -2.936 57 2HB GLU 9 HB1 GLU 9 64.004 12.322 -3.461 58 1HG GLU 9 HG2 GLU 9 62.247 12.571 -5.021 59 2HG GLU 9 HG1 GLU 9 61.674 14.059 -4.269 60 H ALA 10 HN ALA 10 63.441 10.829 -0.844 61 HA ALA 10 HA ALA 10 62.660 8.621 -2.508 62 1HB ALA 10 HB1 ALA 10 63.581 8.719 0.379 63 2HB ALA 10 HB3 ALA 10 63.366 7.227 -0.536 64 3HB ALA 10 HB2 ALA 10 64.580 8.403 -1.041 65 H ARG 11 HN ARG 11 61.510 9.532 0.767 66 HA ARG 11 HA ARG 11 59.270 7.725 0.667 67 1HB ARG 11 HB2 ARG 11 58.493 8.909 2.675 68 2HB ARG 11 HB1 ARG 11 60.220 8.558 2.793 69 1HG ARG 11 HG2 ARG 11 60.659 10.856 1.862 70 2HG ARG 11 HG1 ARG 11 58.935 11.183 2.025 71 1HD ARG 11 HD2 ARG 11 59.638 10.126 4.502 72 2HD ARG 11 HD1 ARG 11 61.012 11.148 4.080 73 HE ARG 11 HE ARG 11 59.322 13.007 3.754 74 1HH1 ARG 11 HH11 ARG 11 57.248 10.617 4.326 75 2HH1 ARG 11 HH12 ARG 11 56.609 11.199 5.828 76 1HH2 ARG 11 HH21 ARG 11 59.080 13.596 6.252 77 2HH2 ARG 11 HH22 ARG 11 57.649 12.885 6.919 78 H ALA 12 HN ALA 12 59.709 11.126 -0.169 79 HA ALA 12 HA ALA 12 56.954 11.806 -0.473 80 1HB ALA 12 HB2 ALA 12 59.542 12.882 -1.516 81 2HB ALA 12 HB1 ALA 12 58.052 13.420 -2.290 82 3HB ALA 12 HB3 ALA 12 58.295 13.687 -0.563 83 H PHE 13 HN PHE 13 59.139 9.968 -2.486 84 HA PHE 13 HA PHE 13 57.336 10.103 -4.813 85 1HB PHE 13 HB2 PHE 13 59.841 10.013 -5.051 86 2HB PHE 13 HB1 PHE 13 59.791 8.372 -4.404 87 HD1 PHE 13 HD1 PHE 13 57.850 10.370 -6.926 88 HD2 PHE 13 HD2 PHE 13 59.878 6.699 -6.009 89 HE1 PHE 13 HE1 PHE 13 57.289 9.498 -9.180 90 HE2 PHE 13 HE2 PHE 13 59.318 5.825 -8.262 91 HZ PHE 13 HZ PHE 13 58.022 7.225 -9.847 92 H LEU 14 HN LEU 14 58.003 8.012 -2.099 93 HA LEU 14 HA LEU 14 56.420 5.808 -3.292 94 1HB LEU 14 HB2 LEU 14 57.679 5.933 -0.540 95 2HB LEU 14 HB1 LEU 14 57.136 4.494 -1.406 96 HG LEU 14 HG LEU 14 59.228 6.295 -2.608 97 1HD1 LEU 14 HD11 LEU 14 59.904 5.618 -0.264 98 2HD1 LEU 14 HD13 LEU 14 59.806 3.938 -0.793 99 3HD1 LEU 14 HD12 LEU 14 60.977 5.031 -1.534 100 1HD2 LEU 14 HD21 LEU 14 57.888 3.902 -3.346 101 2HD2 LEU 14 HD23 LEU 14 59.214 4.697 -4.195 102 3HD2 LEU 14 HD22 LEU 14 59.559 3.460 -2.987 103 H SER 15 HN SER 15 54.425 5.134 -2.414 104 HA SER 15 HA SER 15 52.961 7.237 -0.960 105 1HB SER 15 HB2 SER 15 51.125 5.303 -1.235 106 2HB SER 15 HB1 SER 15 51.537 6.388 -2.559 107 HG SER 15 HG SER 15 51.623 4.202 -3.203 108 H GLU 16 HN GLU 16 51.704 6.687 1.002 109 HA GLU 16 HA GLU 16 53.261 5.472 3.026 110 1HB GLU 16 HB2 GLU 16 50.673 6.696 2.817 111 2HB GLU 16 HB1 GLU 16 50.520 5.206 3.751 112 1HG GLU 16 HG2 GLU 16 52.493 5.958 5.128 113 2HG GLU 16 HG1 GLU 16 52.417 7.507 4.287 114 H GLU 17 HN GLU 17 50.605 4.114 1.077 115 HA GLU 17 HA GLU 17 50.620 1.552 2.402 116 1HB GLU 17 HB2 GLU 17 49.375 2.734 -0.010 117 2HB GLU 17 HB1 GLU 17 49.627 0.989 -0.071 118 1HG GLU 17 HG2 GLU 17 48.428 0.707 2.040 119 2HG GLU 17 HG1 GLU 17 48.244 2.455 2.195 120 H MET 18 HN MET 18 52.604 2.982 -0.069 121 HA MET 18 HA MET 18 53.584 0.473 -1.163 122 1HB MET 18 HB2 MET 18 54.011 3.320 -1.604 123 2HB MET 18 HB1 MET 18 55.533 2.428 -1.625 124 1HG MET 18 HG2 MET 18 54.604 0.854 -3.272 125 2HG MET 18 HG1 MET 18 53.067 1.717 -3.241 126 1HE MET 18 HE2 MET 18 54.101 0.993 -5.555 127 2HE MET 18 HE1 MET 18 54.349 2.348 -6.653 128 3HE MET 18 HE3 MET 18 55.738 1.484 -5.982 129 H ILE 19 HN ILE 19 54.933 2.874 1.124 130 HA ILE 19 HA ILE 19 57.310 1.358 1.677 131 HB ILE 19 HB ILE 19 55.864 3.542 3.189 132 1HG1 ILE 19 HG12 ILE 19 58.625 3.888 2.212 133 2HG1 ILE 19 HG11 ILE 19 57.437 3.619 0.937 134 1HG2 ILE 19 HG21 ILE 19 58.176 1.829 3.980 135 2HG2 ILE 19 HG23 ILE 19 58.291 3.553 4.328 136 3HG2 ILE 19 HG22 ILE 19 56.958 2.607 4.991 137 1HD1 ILE 19 HD11 ILE 19 56.015 5.413 2.010 138 2HD1 ILE 19 HD13 ILE 19 57.382 5.768 3.065 139 3HD1 ILE 19 HD12 ILE 19 57.533 5.993 1.324 140 H ALA 20 HN ALA 20 54.032 1.112 2.787 141 HA ALA 20 HA ALA 20 54.559 -0.280 5.259 142 1HB ALA 20 HB1 ALA 20 52.132 -0.258 3.440 143 2HB ALA 20 HB3 ALA 20 52.169 -1.031 5.025 144 3HB ALA 20 HB2 ALA 20 52.374 0.716 4.890 145 H GLU 21 HN GLU 21 54.140 -1.259 1.905 146 HA GLU 21 HA GLU 21 54.065 -4.098 2.444 147 1HB GLU 21 HB2 GLU 21 53.190 -3.627 0.350 148 2HB GLU 21 HB1 GLU 21 54.353 -2.343 0.036 149 1HG GLU 21 HG2 GLU 21 55.896 -3.776 -0.843 150 2HG GLU 21 HG1 GLU 21 55.495 -5.067 0.290 151 H PHE 22 HN PHE 22 56.647 -1.850 1.410 152 HA PHE 22 HA PHE 22 58.709 -3.843 1.301 153 1HB PHE 22 HB2 PHE 22 58.792 -0.842 1.686 154 2HB PHE 22 HB1 PHE 22 60.247 -1.829 1.548 155 HD1 PHE 22 HD1 PHE 22 59.442 -3.857 -0.429 156 HD2 PHE 22 HD2 PHE 22 58.667 0.368 -0.336 157 HE1 PHE 22 HE1 PHE 22 59.220 -3.843 -2.899 158 HE2 PHE 22 HE2 PHE 22 58.446 0.382 -2.806 159 HZ PHE 22 HZ PHE 22 58.721 -1.723 -4.087 160 H LYS 23 HN LYS 23 57.328 -1.971 3.930 161 HA LYS 23 HA LYS 23 59.374 -2.258 5.866 162 1HB LYS 23 HB2 LYS 23 57.506 -0.848 6.380 163 2HB LYS 23 HB1 LYS 23 56.362 -2.168 6.135 164 1HG LYS 23 HG2 LYS 23 56.662 -1.863 8.521 165 2HG LYS 23 HG1 LYS 23 57.444 -3.374 8.058 166 1HD LYS 23 HD2 LYS 23 59.404 -2.617 8.857 167 2HD LYS 23 HD1 LYS 23 59.339 -1.256 7.735 168 1HE LYS 23 HE2 LYS 23 57.708 -1.195 10.262 169 2HE LYS 23 HE1 LYS 23 59.420 -0.776 10.309 170 1HZ LYS 23 HZ1 LYS 23 57.563 0.443 8.356 171 2HZ LYS 23 HZ3 LYS 23 57.787 1.098 9.904 172 3HZ LYS 23 HZ2 LYS 23 59.099 0.988 8.831 173 H ALA 24 HN ALA 24 57.377 -4.642 4.409 174 HA ALA 24 HA ALA 24 57.496 -6.561 6.599 175 1HB ALA 24 HB2 ALA 24 55.717 -6.609 4.851 176 2HB ALA 24 HB1 ALA 24 56.939 -7.033 3.654 177 3HB ALA 24 HB3 ALA 24 56.576 -8.142 4.976 178 H ALA 25 HN ALA 25 59.291 -6.056 3.563 179 HA ALA 25 HA ALA 25 60.985 -8.372 3.909 180 1HB ALA 25 HB1 ALA 25 60.509 -6.859 1.787 181 2HB ALA 25 HB3 ALA 25 61.901 -5.958 2.385 182 3HB ALA 25 HB2 ALA 25 62.067 -7.665 1.976 183 H PHE 26 HN PHE 26 61.301 -4.935 4.755 184 HA PHE 26 HA PHE 26 63.990 -4.883 5.559 185 1HB PHE 26 HB2 PHE 26 62.323 -2.948 5.529 186 2HB PHE 26 HB1 PHE 26 61.767 -3.527 7.099 187 HD1 PHE 26 HD1 PHE 26 65.153 -3.217 5.507 188 HD2 PHE 26 HD2 PHE 26 62.611 -2.202 8.818 189 HE1 PHE 26 HE1 PHE 26 67.049 -2.059 6.609 190 HE2 PHE 26 HE2 PHE 26 64.508 -1.043 9.919 191 HZ PHE 26 HZ PHE 26 66.727 -0.972 8.814 192 H ASP 27 HN ASP 27 61.262 -5.305 7.847 193 HA ASP 27 HA ASP 27 62.832 -6.223 10.009 194 1HB ASP 27 HB2 ASP 27 60.215 -5.668 9.729 195 2HB ASP 27 HB1 ASP 27 60.130 -7.428 9.657 196 H MET 28 HN MET 28 62.010 -7.819 7.073 197 HA MET 28 HA MET 28 62.112 -10.540 7.985 198 1HB MET 28 HB2 MET 28 61.808 -9.188 5.504 199 2HB MET 28 HB1 MET 28 63.163 -10.304 5.321 200 1HG MET 28 HG2 MET 28 61.828 -12.178 5.990 201 2HG MET 28 HG1 MET 28 60.516 -11.130 6.531 202 1HE MET 28 HE1 MET 28 62.854 -11.826 3.608 203 2HE MET 28 HE3 MET 28 61.941 -11.344 2.171 204 3HE MET 28 HE2 MET 28 62.495 -10.126 3.316 205 H PHE 29 HN PHE 29 64.621 -8.338 6.724 206 HA PHE 29 HA PHE 29 66.694 -10.383 7.200 207 1HB PHE 29 HB2 PHE 29 67.160 -7.504 6.407 208 2HB PHE 29 HB1 PHE 29 68.195 -8.900 6.104 209 HD1 PHE 29 HD2 PHE 29 65.063 -7.192 5.138 210 HD2 PHE 29 HD1 PHE 29 67.738 -10.444 4.295 211 HE1 PHE 29 HE2 PHE 29 63.912 -7.578 2.975 212 HE2 PHE 29 HE1 PHE 29 66.588 -10.831 2.133 213 HZ PHE 29 HZ PHE 29 64.674 -9.398 1.473 214 H ASP 30 HN ASP 30 65.050 -8.933 9.375 215 HA ASP 30 HA ASP 30 67.377 -7.856 10.914 216 1HB ASP 30 HB2 ASP 30 64.576 -7.007 10.649 217 2HB ASP 30 HB1 ASP 30 65.115 -7.129 12.325 218 H ALA 31 HN ALA 31 67.999 -10.025 11.566 219 HA ALA 31 HA ALA 31 66.173 -11.812 12.899 220 1HB ALA 31 HB3 ALA 31 69.184 -11.596 12.793 221 2HB ALA 31 HB2 ALA 31 68.382 -12.807 13.796 222 3HB ALA 31 HB1 ALA 31 68.146 -12.811 12.048 223 H ASP 32 HN ASP 32 68.498 -9.384 14.083 224 HA ASP 32 HA ASP 32 67.680 -9.895 16.868 225 1HB ASP 32 HB2 ASP 32 69.345 -8.180 17.435 226 2HB ASP 32 HB1 ASP 32 70.046 -9.360 16.327 227 H GLY 33 HN GLY 33 66.622 -7.986 14.265 228 1HA GLY 33 HA2 GLY 33 65.070 -6.233 14.126 229 2HA GLY 33 HA1 GLY 33 64.473 -6.814 15.681 230 H GLY 34 HN GLY 34 67.538 -5.268 14.655 231 1HA GLY 34 HA2 GLY 34 67.422 -3.573 17.073 232 2HA GLY 34 HA1 GLY 34 68.787 -3.697 15.962 233 H GLY 35 HN GLY 35 66.475 -3.403 13.813 234 1HA GLY 35 HA2 GLY 35 65.122 -1.466 13.115 235 2HA GLY 35 HA1 GLY 35 66.203 -0.439 14.059 236 H ASP 36 HN ASP 36 67.950 -2.830 12.446 237 HA ASP 36 HA ASP 36 68.187 -1.516 9.863 238 1HB ASP 36 HB2 ASP 36 70.698 -1.007 10.328 239 2HB ASP 36 HB1 ASP 36 69.494 0.138 10.916 240 H ILE 37 HN ILE 37 69.171 -2.905 8.400 241 HA ILE 37 HA ILE 37 70.213 -5.451 9.554 242 HB ILE 37 HB ILE 37 68.554 -6.264 8.241 243 1HG1 ILE 37 HG12 ILE 37 70.837 -6.730 7.030 244 2HG1 ILE 37 HG11 ILE 37 69.328 -7.122 6.217 245 1HG2 ILE 37 HG22 ILE 37 67.706 -3.964 7.779 246 2HG2 ILE 37 HG21 ILE 37 68.786 -3.877 6.387 247 3HG2 ILE 37 HG23 ILE 37 67.480 -5.064 6.419 248 1HD1 ILE 37 HD11 ILE 37 69.415 -4.929 5.043 249 2HD1 ILE 37 HD13 ILE 37 70.974 -4.606 5.799 250 3HD1 ILE 37 HD12 ILE 37 70.805 -5.945 4.667 251 H SER 38 HN SER 38 72.050 -6.425 8.483 252 HA SER 38 HA SER 38 74.137 -4.520 7.900 253 1HB SER 38 HB2 SER 38 73.884 -7.454 8.098 254 2HB SER 38 HB1 SER 38 75.123 -6.903 6.974 255 HG SER 38 HG SER 38 74.923 -6.605 9.738 256 H THR 39 HN THR 39 74.890 -3.797 5.919 257 HA THR 39 HA THR 39 73.215 -3.889 3.634 258 HB THR 39 HB THR 39 75.151 -2.980 2.399 259 HG1 THR 39 HG1 THR 39 76.491 -3.862 4.719 260 1HG2 THR 39 HG22 THR 39 74.366 -1.977 5.090 261 2HG2 THR 39 HG21 THR 39 75.759 -1.214 4.322 262 3HG2 THR 39 HG23 THR 39 74.195 -1.213 3.512 263 H LYS 40 HN LYS 40 75.589 -6.147 4.796 264 HA LYS 40 HA LYS 40 76.246 -7.491 2.386 265 1HB LYS 40 HB2 LYS 40 76.177 -8.213 5.276 266 2HB LYS 40 HB1 LYS 40 76.224 -9.549 4.125 267 1HG LYS 40 HG2 LYS 40 78.103 -7.859 3.068 268 2HG LYS 40 HG1 LYS 40 78.309 -7.574 4.796 269 1HD LYS 40 HD2 LYS 40 79.653 -9.420 4.648 270 2HD LYS 40 HD1 LYS 40 78.116 -10.274 4.797 271 1HE LYS 40 HE2 LYS 40 78.853 -9.425 2.053 272 2HE LYS 40 HE1 LYS 40 79.855 -10.694 2.758 273 1HZ LYS 40 HZ3 LYS 40 76.901 -10.814 2.843 274 2HZ LYS 40 HZ2 LYS 40 77.781 -11.410 1.516 275 3HZ LYS 40 HZ1 LYS 40 78.015 -12.076 3.061 276 H ALA 41 HN ALA 41 73.578 -8.113 4.682 277 HA ALA 41 HA ALA 41 72.380 -10.171 3.043 278 1HB ALA 41 HB1 ALA 41 72.043 -9.594 5.594 279 2HB ALA 41 HB3 ALA 41 70.787 -8.518 4.980 280 3HB ALA 41 HB2 ALA 41 70.699 -10.250 4.660 281 H LEU 42 HN LEU 42 72.388 -6.730 2.925 282 HA LEU 42 HA LEU 42 69.870 -6.166 1.772 283 1HB LEU 42 HB2 LEU 42 72.131 -4.705 2.324 284 2HB LEU 42 HB1 LEU 42 72.137 -4.720 0.560 285 HG LEU 42 HG LEU 42 69.889 -3.816 0.483 286 1HD1 LEU 42 HD13 LEU 42 69.805 -4.845 3.181 287 2HD1 LEU 42 HD12 LEU 42 69.349 -3.141 3.176 288 3HD1 LEU 42 HD11 LEU 42 68.470 -4.292 2.168 289 1HD2 LEU 42 HD21 LEU 42 72.116 -2.467 1.529 290 2HD2 LEU 42 HD23 LEU 42 70.677 -1.730 0.825 291 3HD2 LEU 42 HD22 LEU 42 70.770 -1.992 2.567 292 H GLY 43 HN GLY 43 72.861 -7.344 0.254 293 1HA GLY 43 HA2 GLY 43 72.196 -7.164 -2.447 294 2HA GLY 43 HA1 GLY 43 73.117 -8.510 -1.776 295 H THR 44 HN THR 44 71.158 -9.647 -0.112 296 HA THR 44 HA THR 44 69.589 -11.102 -2.082 297 HB THR 44 HB THR 44 69.695 -11.170 0.942 298 HG1 THR 44 HG1 THR 44 71.208 -12.533 0.518 299 1HG2 THR 44 HG23 THR 44 68.014 -12.799 -0.978 300 2HG2 THR 44 HG22 THR 44 68.314 -13.262 0.697 301 3HG2 THR 44 HG21 THR 44 67.438 -11.775 0.337 302 H VAL 45 HN VAL 45 68.991 -8.476 0.177 303 HA VAL 45 HA VAL 45 66.154 -8.557 0.239 304 HB VAL 45 HB VAL 45 67.912 -6.084 0.223 305 1HG1 VAL 45 HG12 VAL 45 65.057 -6.672 0.928 306 2HG1 VAL 45 HG11 VAL 45 65.921 -5.441 1.849 307 3HG1 VAL 45 HG13 VAL 45 65.737 -5.270 0.102 308 1HG2 VAL 45 HG22 VAL 45 68.569 -7.864 1.894 309 2HG2 VAL 45 HG21 VAL 45 68.055 -6.342 2.623 310 3HG2 VAL 45 HG23 VAL 45 66.955 -7.720 2.591 311 H MET 46 HN MET 46 68.374 -7.027 -2.088 312 HA MET 46 HA MET 46 66.306 -5.831 -3.691 313 1HB MET 46 HB2 MET 46 69.212 -6.315 -3.918 314 2HB MET 46 HB1 MET 46 68.353 -6.241 -5.458 315 1HG MET 46 HG2 MET 46 67.482 -4.060 -4.965 316 2HG MET 46 HG1 MET 46 68.029 -4.154 -3.291 317 1HE MET 46 HE1 MET 46 68.202 -2.379 -5.898 318 2HE MET 46 HE3 MET 46 69.835 -1.750 -6.152 319 3HE MET 46 HE2 MET 46 69.281 -3.163 -7.049 320 H ARG 47 HN ARG 47 67.850 -9.009 -3.694 321 HA ARG 47 HA ARG 47 66.901 -9.935 -6.208 322 1HB ARG 47 HB2 ARG 47 68.480 -11.025 -4.342 323 2HB ARG 47 HB1 ARG 47 66.975 -11.838 -3.909 324 1HG ARG 47 HG2 ARG 47 66.880 -12.159 -6.583 325 2HG ARG 47 HG1 ARG 47 68.630 -12.098 -6.369 326 1HD ARG 47 HD2 ARG 47 68.007 -14.404 -6.157 327 2HD ARG 47 HD1 ARG 47 68.346 -13.828 -4.525 328 HE ARG 47 HE ARG 47 66.148 -14.559 -4.093 329 1HH1 ARG 47 HH11 ARG 47 66.011 -14.863 -7.288 330 2HH1 ARG 47 HH12 ARG 47 64.484 -14.091 -7.546 331 1HH2 ARG 47 HH21 ARG 47 64.325 -12.749 -4.352 332 2HH2 ARG 47 HH22 ARG 47 63.528 -12.894 -5.884 333 H MET 48 HN MET 48 65.408 -10.143 -2.969 334 HA MET 48 HA MET 48 63.011 -11.438 -3.944 335 1HB MET 48 HB2 MET 48 63.814 -10.083 -1.384 336 2HB MET 48 HB1 MET 48 62.119 -10.486 -1.662 337 1HG MET 48 HG2 MET 48 63.015 -12.843 -2.298 338 2HG MET 48 HG1 MET 48 64.484 -12.342 -1.462 339 1HE MET 48 HE3 MET 48 64.895 -11.957 0.580 340 2HE MET 48 HE2 MET 48 63.938 -12.217 2.036 341 3HE MET 48 HE1 MET 48 64.516 -13.601 1.112 342 H LEU 49 HN LEU 49 64.095 -8.132 -3.741 343 HA LEU 49 HA LEU 49 61.712 -7.268 -5.225 344 1HB LEU 49 HB2 LEU 49 61.339 -5.369 -3.538 345 2HB LEU 49 HB1 LEU 49 60.790 -6.972 -3.047 346 HG LEU 49 HG LEU 49 63.599 -6.419 -2.367 347 1HD1 LEU 49 HD12 LEU 49 61.397 -4.593 -1.527 348 2HD1 LEU 49 HD11 LEU 49 62.536 -5.101 -0.280 349 3HD1 LEU 49 HD13 LEU 49 63.119 -4.264 -1.718 350 1HD2 LEU 49 HD22 LEU 49 61.174 -7.349 -0.794 351 2HD2 LEU 49 HD21 LEU 49 62.349 -8.397 -1.587 352 3HD2 LEU 49 HD23 LEU 49 62.841 -7.398 -0.219 353 H GLY 50 HN GLY 50 63.629 -6.995 -6.697 354 1HA GLY 50 HA2 GLY 50 64.378 -4.297 -6.993 355 2HA GLY 50 HA1 GLY 50 65.691 -5.081 -6.114 356 H GLN 51 HN GLN 51 67.225 -6.068 -7.339 357 HA GLN 51 HA GLN 51 66.470 -7.165 -9.990 358 1HB GLN 51 HB2 GLN 51 68.922 -5.427 -9.736 359 2HB GLN 51 HB1 GLN 51 68.076 -5.930 -11.200 360 1HG GLN 51 HG2 GLN 51 66.249 -4.462 -10.772 361 2HG GLN 51 HG1 GLN 51 66.770 -4.180 -9.111 362 1HE2 GLN 51 HE22 GLN 51 68.288 -1.219 -10.325 363 2HE2 GLN 51 HE21 GLN 51 67.080 -1.882 -9.332 364 H ASN 52 HN ASN 52 69.274 -7.554 -10.718 365 HA ASN 52 HA ASN 52 70.334 -9.226 -8.512 366 1HB ASN 52 HB2 ASN 52 68.879 -10.296 -10.729 367 2HB ASN 52 HB1 ASN 52 70.572 -10.757 -10.911 368 1HD2 ASN 52 HD22 ASN 52 70.552 -12.953 -8.130 369 2HD2 ASN 52 HD21 ASN 52 71.498 -12.185 -9.310 370 HA PRO 53 HA PRO 53 73.470 -7.051 -11.196 371 1HB PRO 53 HB2 PRO 53 74.332 -5.273 -9.283 372 2HB PRO 53 HB1 PRO 53 73.028 -4.921 -10.429 373 1HG PRO 53 HG2 PRO 53 72.848 -5.571 -7.524 374 2HG PRO 53 HG1 PRO 53 71.739 -4.630 -8.535 375 1HD PRO 53 HD2 PRO 53 71.358 -7.311 -7.710 376 2HD PRO 53 HD1 PRO 53 70.442 -6.468 -8.978 377 H THR 54 HN THR 54 75.907 -6.733 -10.462 378 HA THR 54 HA THR 54 76.652 -9.184 -8.997 379 HB THR 54 HB THR 54 77.797 -8.608 -11.124 380 HG1 THR 54 HG1 THR 54 79.674 -8.267 -9.064 381 1HG2 THR 54 HG23 THR 54 77.652 -6.119 -10.746 382 2HG2 THR 54 HG22 THR 54 78.964 -6.280 -9.579 383 3HG2 THR 54 HG21 THR 54 79.238 -6.680 -11.275 384 H LYS 55 HN LYS 55 78.532 -8.960 -7.396 385 HA LYS 55 HA LYS 55 77.780 -7.373 -5.192 386 1HB LYS 55 HB2 LYS 55 80.065 -9.042 -5.929 387 2HB LYS 55 HB1 LYS 55 80.529 -7.687 -4.899 388 1HG LYS 55 HG2 LYS 55 79.848 -9.019 -3.191 389 2HG LYS 55 HG1 LYS 55 78.223 -8.537 -3.680 390 1HD LYS 55 HD2 LYS 55 78.115 -10.498 -5.197 391 2HD LYS 55 HD1 LYS 55 79.714 -10.996 -4.643 392 1HE LYS 55 HE2 LYS 55 78.723 -12.093 -2.946 393 2HE LYS 55 HE1 LYS 55 78.205 -10.533 -2.305 394 1HZ LYS 55 HZ1 LYS 55 76.445 -10.989 -4.307 395 2HZ LYS 55 HZ3 LYS 55 76.683 -12.547 -3.679 396 3HZ LYS 55 HZ2 LYS 55 76.156 -11.293 -2.660 397 H GLU 56 HN GLU 56 80.337 -6.724 -7.610 398 HA GLU 56 HA GLU 56 81.238 -4.260 -6.578 399 1HB GLU 56 HB2 GLU 56 82.367 -5.374 -8.440 400 2HB GLU 56 HB1 GLU 56 80.961 -5.118 -9.474 401 1HG GLU 56 HG2 GLU 56 81.297 -2.592 -8.858 402 2HG GLU 56 HG1 GLU 56 82.934 -3.100 -8.439 403 H GLU 57 HN GLU 57 78.307 -5.013 -8.351 404 HA GLU 57 HA GLU 57 77.661 -2.245 -8.967 405 1HB GLU 57 HB2 GLU 57 76.397 -4.893 -9.303 406 2HB GLU 57 HB1 GLU 57 75.266 -3.563 -9.064 407 1HG GLU 57 HG2 GLU 57 77.438 -2.884 -10.908 408 2HG GLU 57 HG1 GLU 57 76.460 -4.240 -11.472 409 H LEU 58 HN LEU 58 76.787 -4.530 -6.391 410 HA LEU 58 HA LEU 58 74.859 -2.769 -5.148 411 1HB LEU 58 HB2 LEU 58 75.574 -5.411 -4.827 412 2HB LEU 58 HB1 LEU 58 76.237 -4.666 -3.371 413 HG LEU 58 HG LEU 58 73.706 -3.497 -3.689 414 1HD1 LEU 58 HD11 LEU 58 73.716 -6.445 -4.358 415 2HD1 LEU 58 HD13 LEU 58 72.302 -5.647 -3.670 416 3HD1 LEU 58 HD12 LEU 58 72.930 -5.133 -5.234 417 1HD2 LEU 58 HD21 LEU 58 75.213 -4.814 -1.745 418 2HD2 LEU 58 HD23 LEU 58 73.627 -4.084 -1.504 419 3HD2 LEU 58 HD22 LEU 58 73.758 -5.800 -1.889 420 H ASP 59 HN ASP 59 78.344 -3.146 -4.904 421 HA ASP 59 HA ASP 59 78.759 -1.792 -2.433 422 1HB ASP 59 HB2 ASP 59 80.369 -2.719 -4.633 423 2HB ASP 59 HB1 ASP 59 80.878 -1.090 -4.185 424 H ALA 60 HN ALA 60 78.736 -0.487 -5.771 425 HA ALA 60 HA ALA 60 79.137 2.233 -5.039 426 1HB ALA 60 HB2 ALA 60 78.640 0.800 -7.417 427 2HB ALA 60 HB1 ALA 60 77.350 1.998 -7.304 428 3HB ALA 60 HB3 ALA 60 79.037 2.512 -7.274 429 H ILE 61 HN ILE 61 76.328 0.181 -4.894 430 HA ILE 61 HA ILE 61 74.361 2.292 -4.698 431 HB ILE 61 HB ILE 61 74.394 -0.645 -3.992 432 1HG1 ILE 61 HG12 ILE 61 72.567 0.829 -5.886 433 2HG1 ILE 61 HG11 ILE 61 74.188 0.344 -6.384 434 1HG2 ILE 61 HG23 ILE 61 72.145 1.342 -3.558 435 2HG2 ILE 61 HG22 ILE 61 71.955 -0.410 -3.504 436 3HG2 ILE 61 HG21 ILE 61 72.971 0.404 -2.315 437 1HD1 ILE 61 HD12 ILE 61 73.181 -1.937 -5.159 438 2HD1 ILE 61 HD11 ILE 61 71.789 -1.291 -6.028 439 3HD1 ILE 61 HD13 ILE 61 73.279 -1.660 -6.899 440 H ILE 62 HN ILE 62 75.715 0.108 -2.199 441 HA ILE 62 HA ILE 62 74.645 1.552 0.017 442 HB ILE 62 HB ILE 62 76.995 -0.331 -0.272 443 1HG1 ILE 62 HG12 ILE 62 74.685 -0.978 1.445 444 2HG1 ILE 62 HG11 ILE 62 74.283 -0.778 -0.262 445 1HG2 ILE 62 HG22 ILE 62 76.190 1.376 2.007 446 2HG2 ILE 62 HG21 ILE 62 76.443 -0.326 2.395 447 3HG2 ILE 62 HG23 ILE 62 77.743 0.613 1.661 448 1HD1 ILE 62 HD12 ILE 62 76.213 -2.332 -0.793 449 2HD1 ILE 62 HD11 ILE 62 76.329 -2.662 0.935 450 3HD1 ILE 62 HD13 ILE 62 74.866 -3.091 0.052 451 H GLU 63 HN GLU 63 77.120 2.395 -2.152 452 HA GLU 63 HA GLU 63 78.881 3.823 -0.391 453 1HB GLU 63 HB2 GLU 63 79.451 3.174 -2.735 454 2HB GLU 63 HB1 GLU 63 78.302 4.379 -3.315 455 1HG GLU 63 HG2 GLU 63 79.642 6.035 -1.807 456 2HG GLU 63 HG1 GLU 63 80.904 4.804 -1.864 457 H GLU 64 HN GLU 64 75.885 4.738 -2.056 458 HA GLU 64 HA GLU 64 76.146 7.465 -0.873 459 1HB GLU 64 HB2 GLU 64 75.167 6.484 -3.397 460 2HB GLU 64 HB1 GLU 64 73.874 7.340 -2.556 461 1HG GLU 64 HG2 GLU 64 76.661 8.485 -2.822 462 2HG GLU 64 HG1 GLU 64 75.402 8.778 -4.020 463 H VAL 65 HN VAL 65 74.528 4.500 -0.407 464 HA VAL 65 HA VAL 65 72.054 5.604 0.665 465 HB VAL 65 HB VAL 65 73.278 2.865 1.120 466 1HG1 VAL 65 HG13 VAL 65 70.994 4.151 2.223 467 2HG1 VAL 65 HG12 VAL 65 70.405 2.962 1.060 468 3HG1 VAL 65 HG11 VAL 65 71.459 2.457 2.382 469 1HG2 VAL 65 HG22 VAL 65 72.839 3.637 -1.305 470 2HG2 VAL 65 HG21 VAL 65 72.100 2.120 -0.796 471 3HG2 VAL 65 HG23 VAL 65 71.131 3.592 -0.876 472 H ASP 66 HN ASP 66 75.008 4.215 2.129 473 HA ASP 66 HA ASP 66 74.124 4.920 4.822 474 1HB ASP 66 HB2 ASP 66 76.073 3.219 3.718 475 2HB ASP 66 HB1 ASP 66 76.980 4.460 4.584 476 H GLU 67 HN GLU 67 73.750 7.239 4.398 477 HA GLU 67 HA GLU 67 75.886 9.000 3.613 478 1HB GLU 67 HB2 GLU 67 74.394 10.751 4.777 479 2HB GLU 67 HB1 GLU 67 73.689 9.878 3.415 480 1HG GLU 67 HG2 GLU 67 73.314 8.458 5.937 481 2HG GLU 67 HG1 GLU 67 72.597 10.069 5.971 482 H ASP 68 HN ASP 68 74.837 7.695 6.718 483 HA ASP 68 HA ASP 68 76.688 9.431 8.205 484 1HB ASP 68 HB2 ASP 68 75.950 7.900 10.139 485 2HB ASP 68 HB1 ASP 68 74.702 8.905 9.401 486 H GLY 69 HN GLY 69 77.228 6.920 6.223 487 1HA GLY 69 HA2 GLY 69 78.831 5.193 6.126 488 2HA GLY 69 HA1 GLY 69 79.854 6.391 6.921 489 H SER 70 HN SER 70 76.947 4.991 8.349 490 HA SER 70 HA SER 70 78.459 4.210 10.720 491 1HB SER 70 HB2 SER 70 76.183 3.257 11.406 492 2HB SER 70 HB1 SER 70 76.241 4.994 11.117 493 HG SER 70 HG SER 70 74.526 3.551 10.070 494 H GLY 71 HN GLY 71 77.670 2.721 7.744 495 1HA GLY 71 HA2 GLY 71 78.403 0.593 6.990 496 2HA GLY 71 HA1 GLY 71 78.898 0.213 8.640 497 H THR 72 HN THR 72 75.691 1.430 7.949 498 HA THR 72 HA THR 72 74.502 -1.261 7.940 499 HB THR 72 HB THR 72 73.043 -0.078 9.980 500 HG1 THR 72 HG1 THR 72 74.577 1.480 10.350 501 1HG2 THR 72 HG21 THR 72 75.139 -2.195 9.772 502 2HG2 THR 72 HG23 THR 72 74.628 -1.698 11.386 503 3HG2 THR 72 HG22 THR 72 73.446 -2.334 10.244 504 H ILE 73 HN ILE 73 72.213 -1.177 7.412 505 HA ILE 73 HA ILE 73 71.396 1.477 6.298 506 HB ILE 73 HB ILE 73 70.482 -1.261 5.382 507 1HG1 ILE 73 HG12 ILE 73 72.965 -0.741 5.055 508 2HG1 ILE 73 HG11 ILE 73 72.058 -1.108 3.589 509 1HG2 ILE 73 HG23 ILE 73 70.167 1.544 4.284 510 2HG2 ILE 73 HG22 ILE 73 69.789 0.090 3.360 511 3HG2 ILE 73 HG21 ILE 73 68.887 0.460 4.830 512 1HD1 ILE 73 HD12 ILE 73 71.901 1.721 4.195 513 2HD1 ILE 73 HD11 ILE 73 73.582 1.202 4.093 514 3HD1 ILE 73 HD13 ILE 73 72.492 0.932 2.733 515 H ASP 74 HN ASP 74 69.495 2.318 7.022 516 HA ASP 74 HA ASP 74 67.903 0.656 8.918 517 1HB ASP 74 HB2 ASP 74 67.885 3.666 8.527 518 2HB ASP 74 HB1 ASP 74 67.064 2.771 9.807 519 H PHE 75 HN PHE 75 65.456 1.452 8.874 520 HA PHE 75 HA PHE 75 64.276 0.585 6.480 521 1HB PHE 75 HB2 PHE 75 63.201 1.008 8.801 522 2HB PHE 75 HB1 PHE 75 62.963 2.660 8.232 523 HD1 PHE 75 HD2 PHE 75 62.807 -0.595 6.403 524 HD2 PHE 75 HD1 PHE 75 60.677 2.885 7.736 525 HE1 PHE 75 HE2 PHE 75 60.814 -1.324 5.119 526 HE2 PHE 75 HE1 PHE 75 58.682 2.157 6.454 527 HZ PHE 75 HZ PHE 75 58.751 0.052 5.146 528 H GLU 76 HN GLU 76 64.567 3.993 7.562 529 HA GLU 76 HA GLU 76 63.617 5.180 5.183 530 1HB GLU 76 HB2 GLU 76 64.669 7.213 5.941 531 2HB GLU 76 HB1 GLU 76 64.103 6.352 7.374 532 1HG GLU 76 HG2 GLU 76 66.535 5.276 7.253 533 2HG GLU 76 HG1 GLU 76 66.898 6.775 6.398 534 H GLU 77 HN GLU 77 66.769 3.809 5.916 535 HA GLU 77 HA GLU 77 68.087 5.000 3.609 536 1HB GLU 77 HB2 GLU 77 68.862 2.607 5.303 537 2HB GLU 77 HB1 GLU 77 69.906 3.405 4.128 538 1HG GLU 77 HG2 GLU 77 69.609 5.545 5.420 539 2HG GLU 77 HG1 GLU 77 68.752 4.618 6.655 540 H PHE 78 HN PHE 78 66.249 2.066 4.215 541 HA PHE 78 HA PHE 78 67.100 0.653 1.860 542 1HB PHE 78 HB2 PHE 78 66.049 -0.820 3.278 543 2HB PHE 78 HB1 PHE 78 64.943 0.401 3.894 544 HD1 PHE 78 HD2 PHE 78 62.962 1.082 2.537 545 HD2 PHE 78 HD1 PHE 78 65.438 -2.253 1.457 546 HE1 PHE 78 HE2 PHE 78 61.164 0.232 1.045 547 HE2 PHE 78 HE1 PHE 78 63.647 -3.105 -0.034 548 HZ PHE 78 HZ PHE 78 61.509 -1.861 -0.239 549 H LEU 79 HN LEU 79 64.468 2.936 2.543 550 HA LEU 79 HA LEU 79 63.159 2.729 0.013 551 1HB LEU 79 HB2 LEU 79 63.396 5.189 1.776 552 2HB LEU 79 HB1 LEU 79 62.159 4.889 0.556 553 HG LEU 79 HG LEU 79 62.616 3.180 3.019 554 1HD1 LEU 79 HD13 LEU 79 60.589 5.327 2.359 555 2HD1 LEU 79 HD12 LEU 79 60.330 4.135 3.632 556 3HD1 LEU 79 HD11 LEU 79 61.682 5.262 3.741 557 1HD2 LEU 79 HD22 LEU 79 61.705 2.018 0.985 558 2HD2 LEU 79 HD21 LEU 79 60.578 2.040 2.342 559 3HD2 LEU 79 HD23 LEU 79 60.357 3.156 0.993 560 H VAL 80 HN VAL 80 66.026 4.467 1.071 561 HA VAL 80 HA VAL 80 66.255 6.174 -1.246 562 HB VAL 80 HB VAL 80 68.287 5.168 0.765 563 1HG1 VAL 80 HG11 VAL 80 68.590 6.939 -1.653 564 2HG1 VAL 80 HG13 VAL 80 69.630 7.160 -0.245 565 3HG1 VAL 80 HG12 VAL 80 69.630 5.624 -1.110 566 1HG2 VAL 80 HG23 VAL 80 66.370 6.864 1.311 567 2HG2 VAL 80 HG22 VAL 80 68.016 7.248 1.817 568 3HG2 VAL 80 HG21 VAL 80 67.339 7.999 0.371 569 H MET 81 HN MET 81 67.446 2.937 -0.434 570 HA MET 81 HA MET 81 69.110 2.600 -2.735 571 1HB MET 81 HB2 MET 81 69.316 1.115 -0.825 572 2HB MET 81 HB1 MET 81 67.646 0.579 -1.014 573 1HG MET 81 HG2 MET 81 68.116 -0.635 -2.955 574 2HG MET 81 HG1 MET 81 69.579 0.288 -3.296 575 1HE MET 81 HE3 MET 81 71.200 0.652 -1.518 576 2HE MET 81 HE2 MET 81 70.941 -0.040 0.081 577 3HE MET 81 HE1 MET 81 72.171 -0.724 -0.979 578 H MET 82 HN MET 82 65.656 2.197 -2.202 579 HA MET 82 HA MET 82 65.145 0.729 -4.643 580 1HB MET 82 HB2 MET 82 63.385 2.316 -2.765 581 2HB MET 82 HB1 MET 82 62.751 1.521 -4.205 582 1HG MET 82 HG2 MET 82 64.323 0.104 -2.037 583 2HG MET 82 HG1 MET 82 62.564 0.114 -2.140 584 1HE MET 82 HE2 MET 82 65.611 -1.357 -2.694 585 2HE MET 82 HE1 MET 82 65.461 -2.631 -3.903 586 3HE MET 82 HE3 MET 82 65.876 -0.981 -4.395 587 H VAL 83 HN VAL 83 64.144 4.070 -3.815 588 HA VAL 83 HA VAL 83 63.520 4.875 -6.434 589 HB VAL 83 HB VAL 83 64.800 6.745 -4.440 590 1HG1 VAL 83 HG13 VAL 83 63.755 7.196 -6.910 591 2HG1 VAL 83 HG12 VAL 83 62.309 7.384 -5.917 592 3HG1 VAL 83 HG11 VAL 83 63.727 8.389 -5.611 593 1HG2 VAL 83 HG22 VAL 83 62.240 5.213 -4.258 594 2HG2 VAL 83 HG21 VAL 83 63.312 5.762 -2.970 595 3HG2 VAL 83 HG23 VAL 83 62.218 6.902 -3.753 596 H ARG 84 HN ARG 84 66.655 5.190 -4.737 597 HA ARG 84 HA ARG 84 68.060 6.499 -6.810 598 1HB ARG 84 HB2 ARG 84 70.062 5.821 -5.721 599 2HB ARG 84 HB1 ARG 84 68.867 5.965 -4.433 600 1HG ARG 84 HG2 ARG 84 68.534 3.584 -4.363 601 2HG ARG 84 HG1 ARG 84 69.478 3.350 -5.835 602 1HD ARG 84 HD2 ARG 84 70.506 4.306 -3.152 603 2HD ARG 84 HD1 ARG 84 70.884 2.781 -3.950 604 HE ARG 84 HE ARG 84 71.659 4.775 -5.757 605 1HH1 ARG 84 HH11 ARG 84 72.085 5.199 -2.489 606 2HH1 ARG 84 HH12 ARG 84 73.816 5.176 -2.515 607 1HH2 ARG 84 HH21 ARG 84 74.019 4.173 -5.828 608 2HH2 ARG 84 HH22 ARG 84 74.912 4.605 -4.408 609 H GLN 85 HN GLN 85 67.322 3.063 -6.378 610 HA GLN 85 HA GLN 85 68.531 2.576 -9.072 611 1HB GLN 85 HB2 GLN 85 68.543 1.010 -6.547 612 2HB GLN 85 HB1 GLN 85 68.321 0.084 -8.032 613 1HG GLN 85 HG2 GLN 85 70.573 2.047 -7.498 614 2HG GLN 85 HG1 GLN 85 70.716 0.288 -7.478 615 1HE2 GLN 85 HE22 GLN 85 71.717 1.495 -10.880 616 2HE2 GLN 85 HE21 GLN 85 72.286 1.771 -9.304 617 H MET 86 HN MET 86 65.800 3.532 -8.476 618 HA MET 86 HA MET 86 64.103 1.177 -9.043 619 1HB MET 86 HB2 MET 86 63.678 3.952 -8.118 620 2HB MET 86 HB1 MET 86 62.436 3.339 -9.209 621 1HG MET 86 HG2 MET 86 63.074 1.263 -7.352 622 2HG MET 86 HG1 MET 86 62.788 2.745 -6.438 623 1HE MET 86 HE1 MET 86 61.164 2.912 -5.427 624 2HE MET 86 HE3 MET 86 59.594 3.395 -6.084 625 3HE MET 86 HE2 MET 86 59.836 1.757 -5.482 626 H LYS 87 HN LYS 87 65.147 4.198 -10.602 627 HA LYS 87 HA LYS 87 64.681 2.954 -13.232 628 1HB LYS 87 HB2 LYS 87 63.378 5.000 -13.992 629 2HB LYS 87 HB1 LYS 87 62.509 3.925 -12.897 630 1HG LYS 87 HG2 LYS 87 63.346 5.413 -10.994 631 2HG LYS 87 HG1 LYS 87 63.835 6.562 -12.241 632 1HD LYS 87 HD2 LYS 87 61.562 7.050 -11.341 633 2HD LYS 87 HD1 LYS 87 61.541 6.696 -13.069 634 1HE LYS 87 HE2 LYS 87 61.238 4.345 -11.297 635 2HE LYS 87 HE1 LYS 87 59.895 5.487 -11.268 636 1HZ LYS 87 HZ2 LYS 87 60.954 4.823 -13.891 637 2HZ LYS 87 HZ1 LYS 87 60.138 3.571 -13.084 638 3HZ LYS 87 HZ3 LYS 87 59.346 5.039 -13.388 639 H GLU 88 HN GLU 88 67.019 3.869 -11.738 640 HA GLU 88 HA GLU 88 67.832 6.318 -13.207 641 1HB GLU 88 HB2 GLU 88 68.761 4.897 -10.761 642 2HB GLU 88 HB1 GLU 88 69.996 5.724 -11.712 643 1HG GLU 88 HG2 GLU 88 67.676 7.416 -11.489 644 2HG GLU 88 HG1 GLU 88 68.167 6.883 -9.881 645 H ASP 89 HN ASP 89 69.033 6.136 -15.036 646 HA ASP 89 HA ASP 89 70.346 3.505 -15.577 647 1HB ASP 89 HB2 ASP 89 68.553 4.247 -17.176 648 2HB ASP 89 HB1 ASP 89 69.555 5.643 -17.576 649 H ALA 90 HN ALA 90 72.488 3.649 -15.090 650 HA ALA 90 HA ALA 90 74.169 5.573 -16.448 651 1HB ALA 90 HB3 ALA 90 73.108 6.802 -14.389 652 2HB ALA 90 HB2 ALA 90 74.258 5.845 -13.454 653 3HB ALA 90 HB1 ALA 90 74.839 6.965 -14.687 No H/Q in entry = 653 Start of MODEL 15 1 1H ALA 1 HT3 ALA 1 67.161 14.903 16.137 2 2H ALA 1 HT2 ALA 1 66.830 16.494 16.627 3 3H ALA 1 HT1 ALA 1 65.580 15.346 16.557 4 HA ALA 1 HA ALA 1 65.218 15.684 14.402 5 1HB ALA 1 HB2 ALA 1 67.191 17.941 14.881 6 2HB ALA 1 HB1 ALA 1 66.064 17.846 13.528 7 3HB ALA 1 HB3 ALA 1 65.453 18.006 15.175 8 H SER 2 HN SER 2 65.894 14.691 12.555 9 HA SER 2 HA SER 2 68.515 14.911 11.444 10 1HB SER 2 HB2 SER 2 69.014 12.353 11.877 11 2HB SER 2 HB1 SER 2 69.477 13.559 13.077 12 HG SER 2 HG SER 2 67.132 11.952 13.039 13 H MET 3 HN MET 3 68.167 14.526 9.313 14 HA MET 3 HA MET 3 66.689 12.193 8.396 15 1HB MET 3 HB2 MET 3 65.006 14.152 9.072 16 2HB MET 3 HB1 MET 3 65.448 14.752 7.473 17 1HG MET 3 HG2 MET 3 63.994 13.287 6.577 18 2HG MET 3 HG1 MET 3 65.011 11.977 7.171 19 1HE MET 3 HE1 MET 3 65.198 11.347 9.340 20 2HE MET 3 HE3 MET 3 64.048 11.496 10.674 21 3HE MET 3 HE2 MET 3 63.833 10.240 9.458 22 H THR 4 HN THR 4 68.498 11.770 7.098 23 HA THR 4 HA THR 4 70.025 13.559 5.594 24 HB THR 4 HB THR 4 70.500 11.657 4.076 25 HG1 THR 4 HG1 THR 4 68.916 10.334 3.780 26 1HG2 THR 4 HG23 THR 4 70.291 11.040 7.032 27 2HG2 THR 4 HG22 THR 4 71.143 10.003 5.888 28 3HG2 THR 4 HG21 THR 4 71.694 11.658 6.160 29 H ASP 5 HN ASP 5 69.772 14.590 3.610 30 HA ASP 5 HA ASP 5 67.135 15.210 2.718 31 1HB ASP 5 HB2 ASP 5 68.403 16.041 0.627 32 2HB ASP 5 HB1 ASP 5 68.823 16.782 2.173 33 H GLN 6 HN GLN 6 69.268 12.574 1.968 34 HA GLN 6 HA GLN 6 68.234 11.831 -0.585 35 1HB GLN 6 HB2 GLN 6 69.506 10.257 1.658 36 2HB GLN 6 HB1 GLN 6 68.984 9.483 0.161 37 1HG GLN 6 HG2 GLN 6 70.572 11.946 -0.211 38 2HG GLN 6 HG1 GLN 6 71.453 10.603 0.518 39 1HE2 GLN 6 HE22 GLN 6 70.550 8.482 -2.435 40 2HE2 GLN 6 HE21 GLN 6 70.234 8.402 -0.768 41 H GLN 7 HN GLN 7 67.058 11.247 2.693 42 HA GLN 7 HA GLN 7 65.024 9.338 1.875 43 1HB GLN 7 HB2 GLN 7 65.325 11.006 4.390 44 2HB GLN 7 HB1 GLN 7 64.115 9.740 4.172 45 1HG GLN 7 HG2 GLN 7 65.674 8.039 4.264 46 2HG GLN 7 HG1 GLN 7 66.967 9.048 3.614 47 1HE2 GLN 7 HE22 GLN 7 67.926 8.777 7.118 48 2HE2 GLN 7 HE21 GLN 7 68.016 7.891 5.672 49 H ALA 8 HN ALA 8 65.304 12.765 1.786 50 HA ALA 8 HA ALA 8 62.492 13.407 1.979 51 1HB ALA 8 HB1 ALA 8 64.897 14.865 0.874 52 2HB ALA 8 HB3 ALA 8 63.273 15.546 0.775 53 3HB ALA 8 HB2 ALA 8 63.994 15.210 2.350 54 H GLU 9 HN GLU 9 64.674 12.658 -0.722 55 HA GLU 9 HA GLU 9 62.520 13.081 -2.683 56 1HB GLU 9 HB2 GLU 9 65.429 12.372 -2.799 57 2HB GLU 9 HB1 GLU 9 64.408 11.968 -4.180 58 1HG GLU 9 HG2 GLU 9 64.883 14.107 -4.824 59 2HG GLU 9 HG1 GLU 9 63.588 14.515 -3.699 60 H ALA 10 HN ALA 10 64.228 10.365 -1.172 61 HA ALA 10 HA ALA 10 63.078 8.302 -2.793 62 1HB ALA 10 HB3 ALA 10 64.131 8.284 0.047 63 2HB ALA 10 HB2 ALA 10 63.621 6.826 -0.806 64 3HB ALA 10 HB1 ALA 10 64.980 7.775 -1.411 65 H ARG 11 HN ARG 11 62.139 9.412 0.487 66 HA ARG 11 HA ARG 11 59.721 7.860 0.545 67 1HB ARG 11 HB2 ARG 11 60.895 8.850 2.553 68 2HB ARG 11 HB1 ARG 11 60.272 10.425 2.061 69 1HG ARG 11 HG2 ARG 11 58.022 9.769 2.400 70 2HG ARG 11 HG1 ARG 11 58.441 8.056 2.436 71 1HD ARG 11 HD2 ARG 11 59.176 8.139 4.613 72 2HD ARG 11 HD1 ARG 11 59.736 9.805 4.470 73 HE ARG 11 HE ARG 11 57.039 8.957 5.242 74 1HH1 ARG 11 HH11 ARG 11 56.576 10.899 3.056 75 2HH1 ARG 11 HH12 ARG 11 56.608 12.420 3.882 76 1HH2 ARG 11 HH21 ARG 11 58.158 11.153 6.713 77 2HH2 ARG 11 HH22 ARG 11 57.504 12.565 5.951 78 H ALA 12 HN ALA 12 60.487 11.091 -0.640 79 HA ALA 12 HA ALA 12 57.815 12.063 -0.898 80 1HB ALA 12 HB3 ALA 12 60.465 12.736 -2.068 81 2HB ALA 12 HB2 ALA 12 59.048 13.291 -2.960 82 3HB ALA 12 HB1 ALA 12 59.283 13.783 -1.283 83 H PHE 13 HN PHE 13 59.730 9.883 -2.882 84 HA PHE 13 HA PHE 13 57.755 9.943 -5.069 85 1HB PHE 13 HB2 PHE 13 60.261 9.674 -5.419 86 2HB PHE 13 HB1 PHE 13 60.097 8.056 -4.736 87 HD1 PHE 13 HD1 PHE 13 58.271 10.203 -7.221 88 HD2 PHE 13 HD2 PHE 13 59.877 6.335 -6.276 89 HE1 PHE 13 HE1 PHE 13 57.510 9.350 -9.422 90 HE2 PHE 13 HE2 PHE 13 59.116 5.480 -8.477 91 HZ PHE 13 HZ PHE 13 57.933 6.988 -10.050 92 H LEU 14 HN LEU 14 58.636 7.917 -2.331 93 HA LEU 14 HA LEU 14 56.742 5.813 -3.207 94 1HB LEU 14 HB2 LEU 14 58.390 5.902 -0.666 95 2HB LEU 14 HB1 LEU 14 57.637 4.489 -1.410 96 HG LEU 14 HG LEU 14 59.683 6.138 -2.894 97 1HD1 LEU 14 HD13 LEU 14 60.119 3.883 -0.923 98 2HD1 LEU 14 HD12 LEU 14 61.301 4.301 -2.164 99 3HD1 LEU 14 HD11 LEU 14 60.868 5.479 -0.924 100 1HD2 LEU 14 HD22 LEU 14 58.376 3.445 -3.155 101 2HD2 LEU 14 HD21 LEU 14 58.637 4.681 -4.387 102 3HD2 LEU 14 HD23 LEU 14 59.987 3.691 -3.833 103 H SER 15 HN SER 15 54.728 5.577 -2.314 104 HA SER 15 HA SER 15 53.882 7.623 -0.338 105 1HB SER 15 HB2 SER 15 51.630 7.086 -0.985 106 2HB SER 15 HB1 SER 15 52.573 7.176 -2.470 107 HG SER 15 HG SER 15 52.717 4.922 -2.447 108 H GLU 16 HN GLU 16 52.153 6.679 1.290 109 HA GLU 16 HA GLU 16 53.485 4.872 3.030 110 1HB GLU 16 HB2 GLU 16 51.863 6.276 4.025 111 2HB GLU 16 HB1 GLU 16 50.635 5.850 2.834 112 1HG GLU 16 HG2 GLU 16 50.233 3.761 3.803 113 2HG GLU 16 HG1 GLU 16 51.794 3.729 4.618 114 H GLU 17 HN GLU 17 51.411 4.326 0.289 115 HA GLU 17 HA GLU 17 50.598 1.641 0.958 116 1HB GLU 17 HB2 GLU 17 50.573 3.368 -1.464 117 2HB GLU 17 HB1 GLU 17 50.519 1.626 -1.741 118 1HG GLU 17 HG2 GLU 17 48.739 2.109 0.390 119 2HG GLU 17 HG1 GLU 17 48.421 3.379 -0.792 120 H MET 18 HN MET 18 53.183 2.887 -1.188 121 HA MET 18 HA MET 18 54.284 0.265 -1.689 122 1HB MET 18 HB2 MET 18 54.613 2.373 -3.100 123 2HB MET 18 HB1 MET 18 55.786 2.882 -1.883 124 1HG MET 18 HG2 MET 18 57.324 1.312 -2.514 125 2HG MET 18 HG1 MET 18 56.090 0.107 -2.886 126 1HE MET 18 HE3 MET 18 58.207 -0.127 -4.566 127 2HE MET 18 HE2 MET 18 56.730 -0.781 -5.268 128 3HE MET 18 HE1 MET 18 57.803 0.206 -6.254 129 H ILE 19 HN ILE 19 55.568 2.988 0.266 130 HA ILE 19 HA ILE 19 57.738 1.742 1.453 131 HB ILE 19 HB ILE 19 55.715 3.641 2.664 132 1HG1 ILE 19 HG12 ILE 19 58.481 4.511 2.282 133 2HG1 ILE 19 HG11 ILE 19 57.734 3.979 0.774 134 1HG2 ILE 19 HG23 ILE 19 58.366 2.703 3.806 135 2HG2 ILE 19 HG22 ILE 19 57.388 4.018 4.457 136 3HG2 ILE 19 HG21 ILE 19 56.772 2.365 4.482 137 1HD1 ILE 19 HD12 ILE 19 55.723 5.460 1.976 138 2HD1 ILE 19 HD11 ILE 19 57.182 6.364 2.383 139 3HD1 ILE 19 HD13 ILE 19 56.792 6.033 0.695 140 H ALA 20 HN ALA 20 54.327 1.449 2.448 141 HA ALA 20 HA ALA 20 54.609 -0.084 4.764 142 1HB ALA 20 HB2 ALA 20 52.557 -0.072 2.568 143 2HB ALA 20 HB1 ALA 20 52.443 -1.262 3.864 144 3HB ALA 20 HB3 ALA 20 52.397 0.460 4.241 145 H GLU 21 HN GLU 21 54.490 -1.305 1.401 146 HA GLU 21 HA GLU 21 54.883 -4.051 2.085 147 1HB GLU 21 HB2 GLU 21 55.788 -2.662 -0.453 148 2HB GLU 21 HB1 GLU 21 55.434 -4.378 -0.253 149 1HG GLU 21 HG2 GLU 21 53.080 -3.542 0.526 150 2HG GLU 21 HG1 GLU 21 53.528 -2.052 -0.308 151 H PHE 22 HN PHE 22 57.261 -1.621 0.949 152 HA PHE 22 HA PHE 22 59.572 -3.200 1.128 153 1HB PHE 22 HB2 PHE 22 59.145 -0.254 1.655 154 2HB PHE 22 HB1 PHE 22 60.746 -0.991 1.669 155 HD1 PHE 22 HD1 PHE 22 60.506 -3.008 -0.477 156 HD2 PHE 22 HD2 PHE 22 59.094 1.046 -0.313 157 HE1 PHE 22 HE1 PHE 22 60.590 -2.879 -2.952 158 HE2 PHE 22 HE2 PHE 22 59.178 1.174 -2.789 159 HZ PHE 22 HZ PHE 22 59.925 -0.788 -4.108 160 H LYS 23 HN LYS 23 57.568 -2.012 3.691 161 HA LYS 23 HA LYS 23 59.504 -2.014 5.806 162 1HB LYS 23 HB2 LYS 23 57.322 -0.971 6.117 163 2HB LYS 23 HB1 LYS 23 56.516 -2.521 5.872 164 1HG LYS 23 HG2 LYS 23 56.642 -2.112 8.254 165 2HG LYS 23 HG1 LYS 23 57.768 -3.412 7.860 166 1HD LYS 23 HD2 LYS 23 59.210 -2.118 9.088 167 2HD LYS 23 HD1 LYS 23 59.414 -1.300 7.537 168 1HE LYS 23 HE2 LYS 23 58.827 0.569 8.689 169 2HE LYS 23 HE1 LYS 23 57.184 -0.049 8.524 170 1HZ LYS 23 HZ3 LYS 23 57.494 -1.230 10.639 171 2HZ LYS 23 HZ2 LYS 23 59.026 -0.516 10.805 172 3HZ LYS 23 HZ1 LYS 23 57.631 0.451 10.815 173 H ALA 24 HN ALA 24 57.191 -4.528 4.757 174 HA ALA 24 HA ALA 24 57.968 -6.526 6.600 175 1HB ALA 24 HB1 ALA 24 56.699 -6.509 3.899 176 2HB ALA 24 HB3 ALA 24 57.309 -8.050 4.504 177 3HB ALA 24 HB2 ALA 24 56.092 -7.162 5.422 178 H ALA 25 HN ALA 25 59.561 -5.380 3.700 179 HA ALA 25 HA ALA 25 61.341 -7.673 3.462 180 1HB ALA 25 HB3 ALA 25 60.646 -5.709 1.744 181 2HB ALA 25 HB2 ALA 25 62.163 -5.042 2.350 182 3HB ALA 25 HB1 ALA 25 62.141 -6.630 1.585 183 H PHE 26 HN PHE 26 61.710 -4.333 4.688 184 HA PHE 26 HA PHE 26 64.420 -4.560 5.483 185 1HB PHE 26 HB2 PHE 26 63.430 -2.388 5.450 186 2HB PHE 26 HB1 PHE 26 62.120 -2.890 6.519 187 HD1 PHE 26 HD1 PHE 26 65.788 -3.537 6.745 188 HD2 PHE 26 HD2 PHE 26 62.362 -1.621 8.470 189 HE1 PHE 26 HE1 PHE 26 67.150 -2.888 8.719 190 HE2 PHE 26 HE2 PHE 26 63.717 -0.970 10.449 191 HZ PHE 26 HZ PHE 26 66.111 -1.606 10.570 192 H ASP 27 HN ASP 27 61.583 -4.682 7.672 193 HA ASP 27 HA ASP 27 62.968 -5.743 9.895 194 1HB ASP 27 HB2 ASP 27 60.095 -5.781 9.019 195 2HB ASP 27 HB1 ASP 27 60.584 -6.725 10.427 196 H MET 28 HN MET 28 62.130 -7.274 6.932 197 HA MET 28 HA MET 28 61.947 -9.978 7.940 198 1HB MET 28 HB2 MET 28 61.005 -9.906 5.846 199 2HB MET 28 HB1 MET 28 62.088 -8.635 5.289 200 1HG MET 28 HG2 MET 28 62.547 -10.719 4.087 201 2HG MET 28 HG1 MET 28 63.918 -10.295 5.110 202 1HE MET 28 HE1 MET 28 65.067 -11.638 6.132 203 2HE MET 28 HE3 MET 28 64.710 -13.175 6.932 204 3HE MET 28 HE2 MET 28 64.829 -13.100 5.177 205 H PHE 29 HN PHE 29 64.569 -8.164 6.293 206 HA PHE 29 HA PHE 29 66.487 -10.303 6.841 207 1HB PHE 29 HB2 PHE 29 66.782 -7.502 5.725 208 2HB PHE 29 HB1 PHE 29 68.143 -8.603 5.942 209 HD1 PHE 29 HD2 PHE 29 64.924 -8.101 4.172 210 HD2 PHE 29 HD1 PHE 29 68.489 -10.475 4.472 211 HE1 PHE 29 HE2 PHE 29 64.364 -9.211 2.026 212 HE2 PHE 29 HE1 PHE 29 67.931 -11.586 2.327 213 HZ PHE 29 HZ PHE 29 65.868 -10.954 1.103 214 H ASP 30 HN ASP 30 65.091 -7.998 8.768 215 HA ASP 30 HA ASP 30 67.558 -7.657 10.419 216 1HB ASP 30 HB2 ASP 30 66.104 -5.642 9.565 217 2HB ASP 30 HB1 ASP 30 65.019 -6.113 10.873 218 H ALA 31 HN ALA 31 66.468 -10.139 10.644 219 HA ALA 31 HA ALA 31 64.404 -10.294 12.679 220 1HB ALA 31 HB3 ALA 31 65.845 -12.121 11.000 221 2HB ALA 31 HB2 ALA 31 65.961 -12.677 12.669 222 3HB ALA 31 HB1 ALA 31 64.380 -12.416 11.935 223 H ASP 32 HN ASP 32 67.654 -9.429 12.811 224 HA ASP 32 HA ASP 32 68.353 -10.664 15.343 225 1HB ASP 32 HB2 ASP 32 69.552 -8.162 14.130 226 2HB ASP 32 HB1 ASP 32 70.309 -9.264 15.279 227 H GLY 33 HN GLY 33 66.812 -7.653 14.363 228 1HA GLY 33 HA2 GLY 33 65.369 -6.359 15.769 229 2HA GLY 33 HA1 GLY 33 66.017 -7.207 17.173 230 H GLY 34 HN GLY 34 68.500 -6.217 15.107 231 1HA GLY 34 HA2 GLY 34 69.518 -4.328 17.046 232 2HA GLY 34 HA1 GLY 34 70.211 -4.640 15.454 233 H GLY 35 HN GLY 35 67.312 -4.062 14.431 234 1HA GLY 35 HA2 GLY 35 65.989 -2.064 14.090 235 2HA GLY 35 HA1 GLY 35 67.305 -1.111 14.776 236 H ASP 36 HN ASP 36 68.754 -3.289 12.772 237 HA ASP 36 HA ASP 36 68.237 -2.053 10.194 238 1HB ASP 36 HB2 ASP 36 70.749 -1.279 10.094 239 2HB ASP 36 HB1 ASP 36 69.544 -0.220 10.826 240 H ILE 37 HN ILE 37 69.360 -3.187 8.500 241 HA ILE 37 HA ILE 37 70.596 -5.728 9.452 242 HB ILE 37 HB ILE 37 68.934 -6.532 8.130 243 1HG1 ILE 37 HG12 ILE 37 71.212 -6.833 6.862 244 2HG1 ILE 37 HG11 ILE 37 69.708 -7.247 6.053 245 1HG2 ILE 37 HG23 ILE 37 67.941 -4.292 7.806 246 2HG2 ILE 37 HG22 ILE 37 69.035 -4.014 6.452 247 3HG2 ILE 37 HG21 ILE 37 67.812 -5.280 6.351 248 1HD1 ILE 37 HD12 ILE 37 69.686 -4.974 5.012 249 2HD1 ILE 37 HD11 ILE 37 71.262 -4.659 5.737 250 3HD1 ILE 37 HD13 ILE 37 71.085 -5.934 4.534 251 H SER 38 HN SER 38 72.441 -6.534 8.253 252 HA SER 38 HA SER 38 74.374 -4.433 7.701 253 1HB SER 38 HB2 SER 38 74.762 -7.338 6.999 254 2HB SER 38 HB1 SER 38 75.967 -6.161 7.520 255 HG SER 38 HG SER 38 75.498 -6.622 9.513 256 H THR 39 HN THR 39 75.133 -3.748 5.698 257 HA THR 39 HA THR 39 73.434 -3.920 3.435 258 HB THR 39 HB THR 39 75.296 -2.938 2.176 259 HG1 THR 39 HG1 THR 39 76.723 -4.004 4.331 260 1HG2 THR 39 HG21 THR 39 74.667 -2.001 4.941 261 2HG2 THR 39 HG23 THR 39 75.960 -1.182 4.066 262 3HG2 THR 39 HG22 THR 39 74.331 -1.230 3.392 263 H LYS 40 HN LYS 40 75.793 -6.138 4.649 264 HA LYS 40 HA LYS 40 76.489 -7.492 2.232 265 1HB LYS 40 HB2 LYS 40 76.373 -8.315 5.128 266 2HB LYS 40 HB1 LYS 40 76.753 -9.497 3.877 267 1HG LYS 40 HG2 LYS 40 78.771 -8.508 3.356 268 2HG LYS 40 HG1 LYS 40 78.217 -6.896 3.811 269 1HD LYS 40 HD2 LYS 40 79.133 -7.132 5.849 270 2HD LYS 40 HD1 LYS 40 78.156 -8.574 6.137 271 1HE LYS 40 HE2 LYS 40 80.202 -9.326 4.324 272 2HE LYS 40 HE1 LYS 40 80.978 -8.398 5.607 273 1HZ LYS 40 HZ2 LYS 40 79.089 -10.086 6.780 274 2HZ LYS 40 HZ1 LYS 40 80.009 -11.026 5.704 275 3HZ LYS 40 HZ3 LYS 40 80.781 -10.144 6.929 276 H ALA 41 HN ALA 41 73.838 -8.043 4.556 277 HA ALA 41 HA ALA 41 72.712 -10.243 3.037 278 1HB ALA 41 HB2 ALA 41 71.982 -8.666 5.438 279 2HB ALA 41 HB1 ALA 41 70.625 -9.342 4.537 280 3HB ALA 41 HB3 ALA 41 71.885 -10.405 5.162 281 H LEU 42 HN LEU 42 72.570 -6.801 2.804 282 HA LEU 42 HA LEU 42 70.041 -6.392 1.619 283 1HB LEU 42 HB2 LEU 42 72.370 -4.870 2.021 284 2HB LEU 42 HB1 LEU 42 72.098 -4.837 0.279 285 HG LEU 42 HG LEU 42 69.868 -3.981 0.559 286 1HD1 LEU 42 HD12 LEU 42 70.063 -5.269 3.096 287 2HD1 LEU 42 HD11 LEU 42 69.727 -3.563 3.391 288 3HD1 LEU 42 HD13 LEU 42 68.644 -4.511 2.372 289 1HD2 LEU 42 HD22 LEU 42 71.766 -2.363 0.814 290 2HD2 LEU 42 HD21 LEU 42 70.307 -1.860 1.669 291 3HD2 LEU 42 HD23 LEU 42 71.653 -2.567 2.564 292 H GLY 43 HN GLY 43 72.980 -7.781 0.269 293 1HA GLY 43 HA2 GLY 43 72.379 -7.627 -2.487 294 2HA GLY 43 HA1 GLY 43 73.288 -8.950 -1.749 295 H THR 44 HN THR 44 71.355 -10.030 -0.065 296 HA THR 44 HA THR 44 69.734 -11.522 -1.965 297 HB THR 44 HB THR 44 69.988 -11.517 1.048 298 HG1 THR 44 HG1 THR 44 70.334 -13.715 -0.637 299 1HG2 THR 44 HG22 THR 44 68.134 -13.210 -0.652 300 2HG2 THR 44 HG21 THR 44 68.442 -13.448 1.067 301 3HG2 THR 44 HG23 THR 44 67.633 -11.983 0.513 302 H VAL 45 HN VAL 45 69.312 -8.708 0.005 303 HA VAL 45 HA VAL 45 66.432 -8.774 0.187 304 HB VAL 45 HB VAL 45 68.479 -6.559 0.428 305 1HG1 VAL 45 HG11 VAL 45 66.328 -5.647 -0.430 306 2HG1 VAL 45 HG13 VAL 45 65.494 -6.392 0.932 307 3HG1 VAL 45 HG12 VAL 45 66.673 -5.111 1.215 308 1HG2 VAL 45 HG21 VAL 45 67.560 -8.587 2.160 309 2HG2 VAL 45 HG23 VAL 45 68.553 -7.194 2.589 310 3HG2 VAL 45 HG22 VAL 45 66.796 -7.100 2.720 311 H MET 46 HN MET 46 68.722 -7.535 -2.199 312 HA MET 46 HA MET 46 66.818 -6.011 -3.721 313 1HB MET 46 HB2 MET 46 69.531 -7.180 -4.275 314 2HB MET 46 HB1 MET 46 68.584 -6.508 -5.602 315 1HG MET 46 HG2 MET 46 68.440 -4.679 -3.414 316 2HG MET 46 HG1 MET 46 70.135 -5.103 -3.654 317 1HE MET 46 HE3 MET 46 68.220 -2.552 -3.956 318 2HE MET 46 HE2 MET 46 68.151 -1.859 -5.574 319 3HE MET 46 HE1 MET 46 67.033 -3.143 -5.125 320 H ARG 47 HN ARG 47 67.846 -9.400 -3.820 321 HA ARG 47 HA ARG 47 66.249 -9.960 -6.210 322 1HB ARG 47 HB2 ARG 47 66.895 -12.316 -5.773 323 2HB ARG 47 HB1 ARG 47 68.295 -11.245 -5.774 324 1HG ARG 47 HG2 ARG 47 68.545 -11.346 -3.451 325 2HG ARG 47 HG1 ARG 47 66.865 -11.821 -3.194 326 1HD ARG 47 HD2 ARG 47 68.090 -13.813 -2.830 327 2HD ARG 47 HD1 ARG 47 67.477 -13.979 -4.475 328 HE ARG 47 HE ARG 47 69.708 -13.951 -5.218 329 1HH1 ARG 47 HH21 ARG 47 70.591 -11.314 -4.509 330 2HH1 ARG 47 HH22 ARG 47 71.764 -11.568 -3.260 331 1HH2 ARG 47 HH11 ARG 47 70.716 -14.802 -2.569 332 2HH2 ARG 47 HH12 ARG 47 71.836 -13.543 -2.163 333 H MET 48 HN MET 48 65.831 -10.129 -2.732 334 HA MET 48 HA MET 48 63.584 -11.903 -2.681 335 1HB MET 48 HB2 MET 48 65.031 -10.301 -0.814 336 2HB MET 48 HB1 MET 48 63.317 -9.919 -0.635 337 1HG MET 48 HG2 MET 48 64.233 -12.781 -0.827 338 2HG MET 48 HG1 MET 48 64.280 -11.927 0.714 339 1HE MET 48 HE3 MET 48 62.586 -10.408 1.375 340 2HE MET 48 HE2 MET 48 60.842 -10.624 1.250 341 3HE MET 48 HE1 MET 48 61.784 -11.703 2.276 342 H LEU 49 HN LEU 49 63.673 -8.321 -2.591 343 HA LEU 49 HA LEU 49 60.876 -7.919 -2.768 344 1HB LEU 49 HB2 LEU 49 62.967 -6.145 -4.054 345 2HB LEU 49 HB1 LEU 49 61.383 -5.667 -3.442 346 HG LEU 49 HG LEU 49 63.754 -6.629 -1.820 347 1HD1 LEU 49 HD11 LEU 49 62.838 -4.061 -2.645 348 2HD1 LEU 49 HD13 LEU 49 62.524 -4.204 -0.915 349 3HD1 LEU 49 HD12 LEU 49 64.157 -4.437 -1.537 350 1HD2 LEU 49 HD23 LEU 49 60.897 -6.776 -1.289 351 2HD2 LEU 49 HD22 LEU 49 62.240 -7.419 -0.343 352 3HD2 LEU 49 HD21 LEU 49 61.715 -5.751 -0.109 353 H GLY 50 HN GLY 50 63.086 -7.316 -5.510 354 1HA GLY 50 HA2 GLY 50 62.021 -9.111 -7.374 355 2HA GLY 50 HA1 GLY 50 60.975 -7.691 -7.446 356 H GLN 51 HN GLN 51 64.502 -8.015 -6.981 357 HA GLN 51 HA GLN 51 64.950 -6.647 -9.569 358 1HB GLN 51 HB2 GLN 51 64.810 -5.128 -7.292 359 2HB GLN 51 HB1 GLN 51 66.531 -5.505 -7.352 360 1HG GLN 51 HG2 GLN 51 66.686 -4.645 -9.626 361 2HG GLN 51 HG1 GLN 51 64.943 -4.375 -9.676 362 1HE2 GLN 51 HE22 GLN 51 67.351 -1.677 -7.808 363 2HE2 GLN 51 HE21 GLN 51 67.992 -3.110 -8.455 364 H ASN 52 HN ASN 52 67.041 -7.057 -10.408 365 HA ASN 52 HA ASN 52 68.903 -8.646 -8.730 366 1HB ASN 52 HB2 ASN 52 69.165 -10.160 -10.852 367 2HB ASN 52 HB1 ASN 52 67.820 -10.458 -9.750 368 1HD2 ASN 52 HD22 ASN 52 65.758 -10.277 -12.632 369 2HD2 ASN 52 HD21 ASN 52 66.389 -11.280 -11.416 370 HA PRO 53 HA PRO 53 70.888 -5.543 -11.556 371 1HB PRO 53 HB2 PRO 53 71.994 -4.021 -9.552 372 2HB PRO 53 HB1 PRO 53 70.389 -3.719 -10.238 373 1HG PRO 53 HG2 PRO 53 71.109 -4.918 -7.604 374 2HG PRO 53 HG1 PRO 53 69.645 -4.039 -8.073 375 1HD PRO 53 HD2 PRO 53 69.881 -6.848 -7.821 376 2HD PRO 53 HD1 PRO 53 68.542 -5.978 -8.601 377 H THR 54 HN THR 54 73.322 -5.053 -11.597 378 HA THR 54 HA THR 54 74.788 -7.482 -10.866 379 HB THR 54 HB THR 54 75.256 -6.419 -13.018 380 HG1 THR 54 HG1 THR 54 77.515 -6.194 -12.742 381 1HG2 THR 54 HG22 THR 54 75.475 -4.026 -11.284 382 2HG2 THR 54 HG21 THR 54 76.651 -4.133 -12.594 383 3HG2 THR 54 HG23 THR 54 74.925 -4.162 -12.955 384 H LYS 55 HN LYS 55 76.595 -7.536 -9.425 385 HA LYS 55 HA LYS 55 76.340 -6.114 -7.006 386 1HB LYS 55 HB2 LYS 55 78.242 -7.955 -8.186 387 2HB LYS 55 HB1 LYS 55 79.081 -6.709 -7.262 388 1HG LYS 55 HG2 LYS 55 78.596 -7.996 -5.457 389 2HG LYS 55 HG1 LYS 55 76.974 -7.320 -5.604 390 1HD LYS 55 HD2 LYS 55 76.391 -9.534 -5.709 391 2HD LYS 55 HD1 LYS 55 76.784 -9.312 -7.415 392 1HE LYS 55 HE2 LYS 55 78.977 -10.228 -7.123 393 2HE LYS 55 HE1 LYS 55 78.835 -10.176 -5.365 394 1HZ LYS 55 HZ1 LYS 55 76.964 -11.763 -5.575 395 2HZ LYS 55 HZ3 LYS 55 77.302 -11.899 -7.232 396 3HZ LYS 55 HZ2 LYS 55 78.455 -12.399 -6.086 397 H GLU 56 HN GLU 56 77.814 -5.154 -10.003 398 HA GLU 56 HA GLU 56 79.609 -3.155 -9.090 399 1HB GLU 56 HB2 GLU 56 79.308 -3.980 -11.478 400 2HB GLU 56 HB1 GLU 56 77.887 -2.937 -11.570 401 1HG GLU 56 HG2 GLU 56 80.281 -1.602 -10.496 402 2HG GLU 56 HG1 GLU 56 80.446 -2.137 -12.168 403 H GLU 57 HN GLU 57 76.116 -2.971 -9.772 404 HA GLU 57 HA GLU 57 76.032 -0.154 -8.931 405 1HB GLU 57 HB2 GLU 57 74.563 -1.294 -10.749 406 2HB GLU 57 HB1 GLU 57 73.621 -1.904 -9.388 407 1HG GLU 57 HG2 GLU 57 72.609 0.171 -10.086 408 2HG GLU 57 HG1 GLU 57 73.443 0.480 -8.562 409 H LEU 58 HN LEU 58 75.605 -3.289 -7.508 410 HA LEU 58 HA LEU 58 73.915 -2.493 -5.310 411 1HB LEU 58 HB2 LEU 58 75.153 -4.885 -6.220 412 2HB LEU 58 HB1 LEU 58 75.682 -4.632 -4.558 413 HG LEU 58 HG LEU 58 72.819 -4.096 -5.010 414 1HD1 LEU 58 HD12 LEU 58 73.241 -6.047 -6.532 415 2HD1 LEU 58 HD11 LEU 58 73.858 -6.943 -5.143 416 3HD1 LEU 58 HD13 LEU 58 72.170 -6.432 -5.184 417 1HD2 LEU 58 HD22 LEU 58 74.278 -4.317 -2.828 418 2HD2 LEU 58 HD21 LEU 58 72.635 -4.957 -2.846 419 3HD2 LEU 58 HD23 LEU 58 74.007 -6.045 -3.054 420 H ASP 59 HN ASP 59 77.384 -3.388 -5.171 421 HA ASP 59 HA ASP 59 77.981 -2.369 -2.661 422 1HB ASP 59 HB2 ASP 59 79.581 -2.552 -5.197 423 2HB ASP 59 HB1 ASP 59 80.280 -1.754 -3.787 424 H ALA 60 HN ALA 60 78.078 -0.524 -5.727 425 HA ALA 60 HA ALA 60 78.803 1.974 -4.600 426 1HB ALA 60 HB2 ALA 60 77.395 1.104 -7.090 427 2HB ALA 60 HB1 ALA 60 77.300 2.808 -6.647 428 3HB ALA 60 HB3 ALA 60 78.872 2.052 -6.910 429 H ILE 61 HN ILE 61 75.619 0.457 -4.999 430 HA ILE 61 HA ILE 61 74.019 2.653 -4.183 431 HB ILE 61 HB ILE 61 73.687 -0.337 -4.079 432 1HG1 ILE 61 HG12 ILE 61 72.008 1.805 -5.403 433 2HG1 ILE 61 HG11 ILE 61 73.421 1.089 -6.176 434 1HG2 ILE 61 HG21 ILE 61 72.578 0.546 -2.043 435 2HG2 ILE 61 HG23 ILE 61 71.679 1.689 -3.042 436 3HG2 ILE 61 HG22 ILE 61 71.404 -0.044 -3.218 437 1HD1 ILE 61 HD11 ILE 61 71.973 -1.104 -5.229 438 2HD1 ILE 61 HD13 ILE 61 70.743 -0.009 -5.860 439 3HD1 ILE 61 HD12 ILE 61 72.057 -0.554 -6.902 440 H ILE 62 HN ILE 62 75.269 -0.049 -2.182 441 HA ILE 62 HA ILE 62 74.392 0.818 0.323 442 HB ILE 62 HB ILE 62 77.049 -0.457 -0.398 443 1HG1 ILE 62 HG12 ILE 62 74.581 -1.761 0.766 444 2HG1 ILE 62 HG11 ILE 62 74.824 -1.618 -0.976 445 1HG2 ILE 62 HG22 ILE 62 75.800 0.310 2.193 446 2HG2 ILE 62 HG21 ILE 62 76.553 -1.283 2.119 447 3HG2 ILE 62 HG23 ILE 62 77.504 0.160 1.766 448 1HD1 ILE 62 HD12 ILE 62 76.908 -2.827 0.850 449 2HD1 ILE 62 HD11 ILE 62 75.644 -3.793 0.092 450 3HD1 ILE 62 HD13 ILE 62 76.813 -2.932 -0.908 451 H GLU 63 HN GLU 63 77.147 1.989 -1.567 452 HA GLU 63 HA GLU 63 78.261 3.645 0.503 453 1HB GLU 63 HB2 GLU 63 79.003 2.938 -2.063 454 2HB GLU 63 HB1 GLU 63 78.598 4.646 -2.238 455 1HG GLU 63 HG2 GLU 63 80.284 5.336 -0.824 456 2HG GLU 63 HG1 GLU 63 80.240 3.849 0.125 457 H GLU 64 HN GLU 64 75.846 4.244 -2.038 458 HA GLU 64 HA GLU 64 75.564 7.053 -1.205 459 1HB GLU 64 HB2 GLU 64 73.961 5.417 -3.193 460 2HB GLU 64 HB1 GLU 64 73.857 7.165 -2.977 461 1HG GLU 64 HG2 GLU 64 76.600 6.605 -3.298 462 2HG GLU 64 HG1 GLU 64 75.773 5.637 -4.518 463 H VAL 65 HN VAL 65 74.483 4.156 0.014 464 HA VAL 65 HA VAL 65 71.812 5.197 0.789 465 HB VAL 65 HB VAL 65 73.057 2.510 1.441 466 1HG1 VAL 65 HG11 VAL 65 70.758 3.783 2.397 467 2HG1 VAL 65 HG13 VAL 65 70.161 2.690 1.148 468 3HG1 VAL 65 HG12 VAL 65 71.111 2.057 2.494 469 1HG2 VAL 65 HG23 VAL 65 72.399 3.475 -1.089 470 2HG2 VAL 65 HG22 VAL 65 72.538 1.776 -0.636 471 3HG2 VAL 65 HG21 VAL 65 70.964 2.575 -0.601 472 H ASP 66 HN ASP 66 74.984 4.499 2.120 473 HA ASP 66 HA ASP 66 74.055 4.957 4.883 474 1HB ASP 66 HB2 ASP 66 76.350 3.739 3.628 475 2HB ASP 66 HB1 ASP 66 76.883 4.966 4.775 476 H GLU 67 HN GLU 67 73.297 7.192 4.334 477 HA GLU 67 HA GLU 67 75.125 9.243 3.510 478 1HB GLU 67 HB2 GLU 67 72.396 9.109 4.633 479 2HB GLU 67 HB1 GLU 67 73.274 10.594 5.000 480 1HG GLU 67 HG2 GLU 67 73.369 9.561 2.194 481 2HG GLU 67 HG1 GLU 67 71.887 10.346 2.741 482 H ASP 68 HN ASP 68 74.160 8.036 6.710 483 HA ASP 68 HA ASP 68 75.835 10.007 8.087 484 1HB ASP 68 HB2 ASP 68 75.248 8.581 10.113 485 2HB ASP 68 HB1 ASP 68 73.872 9.286 9.264 486 H GLY 69 HN GLY 69 76.266 6.901 6.670 487 1HA GLY 69 HA2 GLY 69 78.204 5.583 6.486 488 2HA GLY 69 HA1 GLY 69 79.093 6.907 7.241 489 H SER 70 HN SER 70 76.301 5.419 8.762 490 HA SER 70 HA SER 70 77.781 4.891 11.182 491 1HB SER 70 HB2 SER 70 75.557 3.422 11.541 492 2HB SER 70 HB1 SER 70 75.560 5.177 11.701 493 HG SER 70 HG SER 70 73.900 4.385 10.304 494 H GLY 71 HN GLY 71 76.880 2.953 8.383 495 1HA GLY 71 HA2 GLY 71 78.318 1.046 7.782 496 2HA GLY 71 HA1 GLY 71 78.552 0.746 9.504 497 H THR 72 HN THR 72 75.356 1.591 9.003 498 HA THR 72 HA THR 72 74.496 -1.195 8.421 499 HB THR 72 HB THR 72 72.837 -0.943 10.365 500 HG1 THR 72 HG1 THR 72 73.033 1.156 10.900 501 1HG2 THR 72 HG22 THR 72 75.674 -1.631 10.368 502 2HG2 THR 72 HG21 THR 72 75.097 -1.164 11.968 503 3HG2 THR 72 HG23 THR 72 74.315 -2.484 11.098 504 H ILE 73 HN ILE 73 72.305 -1.312 7.643 505 HA ILE 73 HA ILE 73 71.334 1.293 6.579 506 HB ILE 73 HB ILE 73 70.512 -1.528 5.822 507 1HG1 ILE 73 HG12 ILE 73 72.938 -0.873 5.366 508 2HG1 ILE 73 HG11 ILE 73 71.994 -1.328 3.946 509 1HG2 ILE 73 HG23 ILE 73 68.850 0.288 5.364 510 2HG2 ILE 73 HG22 ILE 73 70.075 1.117 4.404 511 3HG2 ILE 73 HG21 ILE 73 69.475 -0.460 3.895 512 1HD1 ILE 73 HD11 ILE 73 71.665 1.490 4.468 513 2HD1 ILE 73 HD13 ILE 73 73.382 1.098 4.371 514 3HD1 ILE 73 HD12 ILE 73 72.309 0.702 3.028 515 H ASP 74 HN ASP 74 69.316 2.084 7.132 516 HA ASP 74 HA ASP 74 67.730 0.436 9.065 517 1HB ASP 74 HB2 ASP 74 67.872 3.464 8.973 518 2HB ASP 74 HB1 ASP 74 67.108 2.469 10.214 519 H PHE 75 HN PHE 75 65.353 1.271 9.108 520 HA PHE 75 HA PHE 75 64.089 0.789 6.679 521 1HB PHE 75 HB2 PHE 75 63.065 1.056 9.030 522 2HB PHE 75 HB1 PHE 75 62.982 2.779 8.662 523 HD1 PHE 75 HD2 PHE 75 62.514 -0.172 6.417 524 HD2 PHE 75 HD1 PHE 75 60.703 3.236 8.298 525 HE1 PHE 75 HE2 PHE 75 60.441 -0.553 5.107 526 HE2 PHE 75 HE1 PHE 75 58.629 2.857 6.991 527 HZ PHE 75 HZ PHE 75 58.497 0.963 5.395 528 H GLU 76 HN GLU 76 65.016 3.977 8.001 529 HA GLU 76 HA GLU 76 63.980 5.547 5.871 530 1HB GLU 76 HB2 GLU 76 66.052 5.912 7.978 531 2HB GLU 76 HB1 GLU 76 66.119 7.014 6.603 532 1HG GLU 76 HG2 GLU 76 64.084 7.982 7.100 533 2HG GLU 76 HG1 GLU 76 63.451 6.517 7.852 534 H GLU 77 HN GLU 77 67.102 3.884 6.216 535 HA GLU 77 HA GLU 77 68.134 4.943 3.704 536 1HB GLU 77 HB2 GLU 77 69.080 2.561 5.328 537 2HB GLU 77 HB1 GLU 77 69.990 3.387 4.060 538 1HG GLU 77 HG2 GLU 77 69.509 5.520 5.557 539 2HG GLU 77 HG1 GLU 77 69.334 4.314 6.832 540 H PHE 78 HN PHE 78 66.007 2.402 4.578 541 HA PHE 78 HA PHE 78 66.564 0.564 2.437 542 1HB PHE 78 HB2 PHE 78 64.873 0.598 4.632 543 2HB PHE 78 HB1 PHE 78 63.756 0.714 3.271 544 HD1 PHE 78 HD1 PHE 78 66.613 -1.260 4.629 545 HD2 PHE 78 HD2 PHE 78 63.299 -1.163 1.897 546 HE1 PHE 78 HE1 PHE 78 66.921 -3.678 4.170 547 HE2 PHE 78 HE2 PHE 78 63.607 -3.582 1.440 548 HZ PHE 78 HZ PHE 78 65.417 -4.839 2.577 549 H LEU 79 HN LEU 79 63.860 2.883 2.784 550 HA LEU 79 HA LEU 79 62.807 2.703 0.210 551 1HB LEU 79 HB2 LEU 79 63.149 5.288 1.760 552 2HB LEU 79 HB1 LEU 79 61.937 4.955 0.523 553 HG LEU 79 HG LEU 79 62.185 3.535 3.192 554 1HD1 LEU 79 HD11 LEU 79 60.255 5.589 2.095 555 2HD1 LEU 79 HD13 LEU 79 59.894 4.599 3.509 556 3HD1 LEU 79 HD12 LEU 79 61.260 5.714 3.540 557 1HD2 LEU 79 HD23 LEU 79 61.389 2.059 1.366 558 2HD2 LEU 79 HD22 LEU 79 60.101 2.406 2.519 559 3HD2 LEU 79 HD21 LEU 79 60.143 3.240 0.966 560 H VAL 80 HN VAL 80 65.815 4.166 1.210 561 HA VAL 80 HA VAL 80 66.222 5.787 -1.144 562 HB VAL 80 HB VAL 80 68.184 4.603 0.839 563 1HG1 VAL 80 HG11 VAL 80 68.559 6.612 -1.398 564 2HG1 VAL 80 HG13 VAL 80 69.718 6.386 -0.087 565 3HG1 VAL 80 HG12 VAL 80 69.382 5.064 -1.205 566 1HG2 VAL 80 HG22 VAL 80 66.415 6.329 1.568 567 2HG2 VAL 80 HG21 VAL 80 68.097 6.717 1.920 568 3HG2 VAL 80 HG23 VAL 80 67.287 7.473 0.548 569 H MET 81 HN MET 81 67.357 2.523 -0.229 570 HA MET 81 HA MET 81 68.865 2.000 -2.566 571 1HB MET 81 HB2 MET 81 68.957 0.552 -0.593 572 2HB MET 81 HB1 MET 81 67.273 0.083 -0.837 573 1HG MET 81 HG2 MET 81 67.756 -1.210 -2.696 574 2HG MET 81 HG1 MET 81 69.197 -0.278 -3.097 575 1HE MET 81 HE2 MET 81 70.712 0.225 -1.225 576 2HE MET 81 HE1 MET 81 70.831 -0.688 0.277 577 3HE MET 81 HE3 MET 81 71.878 -1.088 -1.090 578 H MET 82 HN MET 82 65.392 1.811 -1.974 579 HA MET 82 HA MET 82 64.776 0.375 -4.410 580 1HB MET 82 HB2 MET 82 63.122 2.071 -2.530 581 2HB MET 82 HB1 MET 82 62.437 1.307 -3.963 582 1HG MET 82 HG2 MET 82 63.976 -0.231 -1.862 583 2HG MET 82 HG1 MET 82 62.223 -0.038 -1.816 584 1HE MET 82 HE1 MET 82 64.841 -2.237 -2.466 585 2HE MET 82 HE3 MET 82 64.673 -3.008 -4.049 586 3HE MET 82 HE2 MET 82 65.289 -1.363 -3.928 587 H VAL 83 HN VAL 83 64.192 3.806 -3.540 588 HA VAL 83 HA VAL 83 63.604 4.615 -6.219 589 HB VAL 83 HB VAL 83 64.774 6.379 -4.057 590 1HG1 VAL 83 HG12 VAL 83 63.454 6.764 -6.664 591 2HG1 VAL 83 HG11 VAL 83 62.786 7.750 -5.364 592 3HG1 VAL 83 HG13 VAL 83 64.500 7.859 -5.761 593 1HG2 VAL 83 HG23 VAL 83 62.084 5.088 -4.330 594 2HG2 VAL 83 HG22 VAL 83 63.013 5.434 -2.873 595 3HG2 VAL 83 HG21 VAL 83 62.162 6.735 -3.706 596 H ARG 84 HN ARG 84 66.549 3.699 -4.815 597 HA ARG 84 HA ARG 84 68.347 5.477 -6.163 598 1HB ARG 84 HB2 ARG 84 68.773 3.804 -4.208 599 2HB ARG 84 HB1 ARG 84 69.046 2.629 -5.497 600 1HG ARG 84 HG2 ARG 84 71.082 3.481 -5.916 601 2HG ARG 84 HG1 ARG 84 70.405 5.100 -6.104 602 1HD ARG 84 HD2 ARG 84 70.424 4.302 -3.313 603 2HD ARG 84 HD1 ARG 84 72.043 4.212 -4.006 604 HE ARG 84 HE ARG 84 70.610 6.640 -3.427 605 1HH1 ARG 84 HH11 ARG 84 72.608 5.109 -5.790 606 2HH1 ARG 84 HH12 ARG 84 73.350 6.585 -6.307 607 1HH2 ARG 84 HH21 ARG 84 71.604 8.567 -4.063 608 2HH2 ARG 84 HH22 ARG 84 72.782 8.540 -5.330 609 H GLN 85 HN GLN 85 66.792 2.444 -7.151 610 HA GLN 85 HA GLN 85 68.088 2.816 -9.824 611 1HB GLN 85 HB2 GLN 85 67.818 0.426 -8.105 612 2HB GLN 85 HB1 GLN 85 67.435 0.171 -9.808 613 1HG GLN 85 HG2 GLN 85 69.903 1.721 -9.127 614 2HG GLN 85 HG1 GLN 85 69.936 -0.032 -8.935 615 1HE2 GLN 85 HE22 GLN 85 70.180 1.539 -12.632 616 2HE2 GLN 85 HE21 GLN 85 70.258 2.491 -11.228 617 H MET 86 HN MET 86 65.142 2.711 -8.127 618 HA MET 86 HA MET 86 63.605 1.760 -10.463 619 1HB MET 86 HB2 MET 86 61.776 1.578 -9.043 620 2HB MET 86 HB1 MET 86 63.093 1.359 -7.894 621 1HG MET 86 HG2 MET 86 62.892 4.052 -7.828 622 2HG MET 86 HG1 MET 86 61.222 3.646 -8.219 623 1HE MET 86 HE3 MET 86 59.660 2.696 -7.033 624 2HE MET 86 HE2 MET 86 59.613 2.403 -5.297 625 3HE MET 86 HE1 MET 86 59.801 4.048 -5.901 626 H LYS 87 HN LYS 87 64.747 4.715 -9.147 627 HA LYS 87 HA LYS 87 62.794 6.586 -9.869 628 1HB LYS 87 HB2 LYS 87 65.699 6.605 -9.487 629 2HB LYS 87 HB1 LYS 87 65.154 7.812 -10.652 630 1HG LYS 87 HG2 LYS 87 63.277 7.977 -8.601 631 2HG LYS 87 HG1 LYS 87 64.808 7.755 -7.755 632 1HD LYS 87 HD2 LYS 87 65.593 9.563 -9.593 633 2HD LYS 87 HD1 LYS 87 63.894 10.020 -9.455 634 1HE LYS 87 HE2 LYS 87 64.136 10.218 -7.012 635 2HE LYS 87 HE1 LYS 87 65.831 9.744 -7.136 636 1HZ LYS 87 HZ1 LYS 87 65.220 11.874 -8.917 637 2HZ LYS 87 HZ3 LYS 87 64.815 12.289 -7.322 638 3HZ LYS 87 HZ2 LYS 87 66.398 11.797 -7.695 639 H GLU 88 HN GLU 88 65.183 4.976 -11.952 640 HA GLU 88 HA GLU 88 63.980 6.327 -14.314 641 1HB GLU 88 HB2 GLU 88 66.596 5.090 -13.696 642 2HB GLU 88 HB1 GLU 88 65.987 4.778 -15.322 643 1HG GLU 88 HG2 GLU 88 65.541 7.544 -14.637 644 2HG GLU 88 HG1 GLU 88 67.240 7.135 -14.388 645 H ASP 89 HN ASP 89 65.449 3.149 -14.481 646 HA ASP 89 HA ASP 89 64.552 1.070 -15.100 647 1HB ASP 89 HB2 ASP 89 62.757 2.134 -13.223 648 2HB ASP 89 HB1 ASP 89 61.748 1.615 -14.573 649 H ALA 90 HN ALA 90 64.941 1.587 -17.343 650 HA ALA 90 HA ALA 90 62.414 2.002 -18.859 651 1HB ALA 90 HB3 ALA 90 64.119 4.080 -18.582 652 2HB ALA 90 HB2 ALA 90 64.852 3.288 -19.976 653 3HB ALA 90 HB1 ALA 90 63.171 3.815 -20.044 No H/Q in entry = 653 Start of MODEL 16 1 1H ALA 1 HT2 ALA 1 64.010 12.987 12.782 2 2H ALA 1 HT1 ALA 1 62.842 13.672 13.810 3 3H ALA 1 HT3 ALA 1 62.639 13.749 12.128 4 HA ALA 1 HA ALA 1 63.537 15.770 12.248 5 1HB ALA 1 HB1 ALA 1 63.857 14.873 14.998 6 2HB ALA 1 HB3 ALA 1 65.204 15.894 14.497 7 3HB ALA 1 HB2 ALA 1 63.551 16.497 14.385 8 H SER 2 HN SER 2 64.838 13.397 11.099 9 HA SER 2 HA SER 2 67.549 14.556 10.830 10 1HB SER 2 HB2 SER 2 68.441 12.119 10.998 11 2HB SER 2 HB1 SER 2 68.084 12.979 12.493 12 HG SER 2 HG SER 2 66.045 11.944 12.498 13 H MET 3 HN MET 3 64.970 13.986 9.229 14 HA MET 3 HA MET 3 65.819 12.078 7.189 15 1HB MET 3 HB2 MET 3 63.808 13.063 5.947 16 2HB MET 3 HB1 MET 3 63.459 12.292 7.495 17 1HG MET 3 HG2 MET 3 62.723 14.229 8.386 18 2HG MET 3 HG1 MET 3 64.158 15.097 7.837 19 1HE MET 3 HE2 MET 3 64.296 16.641 6.491 20 2HE MET 3 HE1 MET 3 63.236 17.212 5.205 21 3HE MET 3 HE3 MET 3 62.802 17.481 6.899 22 H THR 4 HN THR 4 67.424 12.605 5.790 23 HA THR 4 HA THR 4 68.193 15.357 5.278 24 HB THR 4 HB THR 4 69.437 13.926 3.313 25 HG1 THR 4 HG1 THR 4 69.295 12.137 5.473 26 1HG2 THR 4 HG23 THR 4 70.139 15.194 5.638 27 2HG2 THR 4 HG22 THR 4 70.639 13.536 5.973 28 3HG2 THR 4 HG21 THR 4 71.276 14.383 4.562 29 H ASP 5 HN ASP 5 68.517 15.879 2.753 30 HA ASP 5 HA ASP 5 65.857 16.174 1.676 31 1HB ASP 5 HB2 ASP 5 68.587 16.637 0.441 32 2HB ASP 5 HB1 ASP 5 67.065 17.081 -0.332 33 H GLN 6 HN GLN 6 68.631 14.107 0.805 34 HA GLN 6 HA GLN 6 67.516 12.889 -1.490 35 1HB GLN 6 HB2 GLN 6 69.043 11.003 -1.008 36 2HB GLN 6 HB1 GLN 6 69.859 12.552 -0.789 37 1HG GLN 6 HG2 GLN 6 69.269 12.400 1.672 38 2HG GLN 6 HG1 GLN 6 68.742 10.743 1.367 39 1HE2 GLN 6 HE22 GLN 6 72.056 9.481 0.959 40 2HE2 GLN 6 HE21 GLN 6 70.414 9.177 0.653 41 H GLN 7 HN GLN 7 67.108 12.110 1.949 42 HA GLN 7 HA GLN 7 65.427 9.790 1.391 43 1HB GLN 7 HB2 GLN 7 65.635 11.316 3.996 44 2HB GLN 7 HB1 GLN 7 65.171 9.629 3.769 45 1HG GLN 7 HG2 GLN 7 67.423 9.090 2.967 46 2HG GLN 7 HG1 GLN 7 67.898 10.783 3.109 47 1HE2 GLN 7 HE22 GLN 7 69.058 9.216 6.240 48 2HE2 GLN 7 HE21 GLN 7 69.476 9.185 4.595 49 H ALA 8 HN ALA 8 64.956 13.208 1.685 50 HA ALA 8 HA ALA 8 62.161 13.131 2.431 51 1HB ALA 8 HB3 ALA 8 64.015 15.116 2.282 52 2HB ALA 8 HB2 ALA 8 63.120 15.405 0.791 53 3HB ALA 8 HB1 ALA 8 62.278 15.411 2.341 54 H GLU 9 HN GLU 9 63.883 13.355 -0.680 55 HA GLU 9 HA GLU 9 61.418 13.460 -2.224 56 1HB GLU 9 HB2 GLU 9 64.283 13.578 -2.742 57 2HB GLU 9 HB1 GLU 9 63.453 12.561 -3.920 58 1HG GLU 9 HG2 GLU 9 61.727 14.678 -3.732 59 2HG GLU 9 HG1 GLU 9 63.284 15.476 -3.507 60 H ALA 10 HN ALA 10 63.488 10.937 -0.968 61 HA ALA 10 HA ALA 10 62.616 8.819 -2.699 62 1HB ALA 10 HB3 ALA 10 64.429 9.067 -0.603 63 2HB ALA 10 HB2 ALA 10 63.196 7.981 0.042 64 3HB ALA 10 HB1 ALA 10 64.036 7.573 -1.456 65 H ARG 11 HN ARG 11 61.576 9.668 0.627 66 HA ARG 11 HA ARG 11 59.374 7.816 0.629 67 1HB ARG 11 HB2 ARG 11 60.405 9.952 2.369 68 2HB ARG 11 HB1 ARG 11 58.649 9.783 2.419 69 1HG ARG 11 HG2 ARG 11 58.798 7.473 3.036 70 2HG ARG 11 HG1 ARG 11 60.527 7.426 2.691 71 1HD ARG 11 HD2 ARG 11 61.075 8.338 4.698 72 2HD ARG 11 HD1 ARG 11 59.749 9.498 4.634 73 HE ARG 11 HE ARG 11 58.684 6.883 5.101 74 1HH1 ARG 11 HH11 ARG 11 57.779 9.169 6.698 75 2HH1 ARG 11 HH12 ARG 11 58.493 8.883 8.249 76 1HH2 ARG 11 HH21 ARG 11 60.806 6.591 7.055 77 2HH2 ARG 11 HH22 ARG 11 60.208 7.423 8.451 78 H ALA 12 HN ALA 12 59.802 11.006 -0.673 79 HA ALA 12 HA ALA 12 56.983 11.687 -0.803 80 1HB ALA 12 HB1 ALA 12 59.362 13.054 -1.211 81 2HB ALA 12 HB3 ALA 12 58.693 12.920 -2.837 82 3HB ALA 12 HB2 ALA 12 57.749 13.680 -1.555 83 H PHE 13 HN PHE 13 59.275 10.061 -2.943 84 HA PHE 13 HA PHE 13 57.296 9.918 -5.121 85 1HB PHE 13 HB2 PHE 13 59.687 10.184 -5.667 86 2HB PHE 13 HB1 PHE 13 60.047 8.666 -4.845 87 HD1 PHE 13 HD2 PHE 13 59.131 6.512 -5.735 88 HD2 PHE 13 HD1 PHE 13 58.752 10.217 -7.874 89 HE1 PHE 13 HE2 PHE 13 58.598 5.259 -7.808 90 HE2 PHE 13 HE1 PHE 13 58.218 8.965 -9.947 91 HZ PHE 13 HZ PHE 13 58.141 6.486 -9.914 92 H LEU 14 HN LEU 14 58.206 8.080 -2.364 93 HA LEU 14 HA LEU 14 57.092 5.571 -3.480 94 1HB LEU 14 HB2 LEU 14 58.347 6.211 -0.793 95 2HB LEU 14 HB1 LEU 14 57.767 4.615 -1.268 96 HG LEU 14 HG LEU 14 59.891 6.198 -2.744 97 1HD1 LEU 14 HD11 LEU 14 60.106 4.756 -0.347 98 2HD1 LEU 14 HD13 LEU 14 60.690 3.651 -1.590 99 3HD1 LEU 14 HD12 LEU 14 61.433 5.239 -1.403 100 1HD2 LEU 14 HD21 LEU 14 58.604 3.495 -3.143 101 2HD2 LEU 14 HD23 LEU 14 58.832 4.787 -4.323 102 3HD2 LEU 14 HD22 LEU 14 60.216 3.840 -3.773 103 H SER 15 HN SER 15 55.035 4.898 -3.025 104 HA SER 15 HA SER 15 53.275 6.696 -1.528 105 1HB SER 15 HB2 SER 15 52.971 4.401 -3.345 106 2HB SER 15 HB1 SER 15 51.791 4.433 -2.038 107 HG SER 15 HG SER 15 51.279 6.562 -2.647 108 H GLU 16 HN GLU 16 52.137 6.111 0.403 109 HA GLU 16 HA GLU 16 53.652 4.718 2.361 110 1HB GLU 16 HB2 GLU 16 51.407 4.689 3.625 111 2HB GLU 16 HB1 GLU 16 52.046 6.267 3.166 112 1HG GLU 16 HG2 GLU 16 50.523 6.500 1.379 113 2HG GLU 16 HG1 GLU 16 50.156 4.775 1.352 114 H GLU 17 HN GLU 17 51.331 3.572 0.015 115 HA GLU 17 HA GLU 17 50.736 1.061 1.305 116 1HB GLU 17 HB2 GLU 17 50.422 2.183 -1.453 117 2HB GLU 17 HB1 GLU 17 50.287 0.438 -1.240 118 1HG GLU 17 HG2 GLU 17 48.679 1.029 0.719 119 2HG GLU 17 HG1 GLU 17 48.581 2.616 -0.049 120 H MET 18 HN MET 18 52.890 1.805 -1.466 121 HA MET 18 HA MET 18 54.114 -0.800 -1.456 122 1HB MET 18 HB2 MET 18 54.416 1.713 -2.909 123 2HB MET 18 HB1 MET 18 55.975 0.955 -2.579 124 1HG MET 18 HG2 MET 18 54.746 -1.236 -3.377 125 2HG MET 18 HG1 MET 18 53.661 -0.095 -4.174 126 1HE MET 18 HE3 MET 18 53.884 0.993 -5.997 127 2HE MET 18 HE2 MET 18 55.111 2.204 -5.637 128 3HE MET 18 HE1 MET 18 55.267 1.205 -7.079 129 H ILE 19 HN ILE 19 54.545 1.994 0.510 130 HA ILE 19 HA ILE 19 57.299 1.372 1.281 131 HB ILE 19 HB ILE 19 55.221 3.301 2.333 132 1HG1 ILE 19 HG12 ILE 19 57.897 3.636 0.941 133 2HG1 ILE 19 HG11 ILE 19 56.312 3.894 0.212 134 1HG2 ILE 19 HG21 ILE 19 57.611 2.247 3.642 135 2HG2 ILE 19 HG23 ILE 19 57.680 3.997 3.441 136 3HG2 ILE 19 HG22 ILE 19 56.328 3.260 4.304 137 1HD1 ILE 19 HD13 ILE 19 55.872 5.644 1.966 138 2HD1 ILE 19 HD12 ILE 19 57.546 5.462 2.490 139 3HD1 ILE 19 HD11 ILE 19 57.190 6.052 0.867 140 H ALA 20 HN ALA 20 54.051 0.770 2.539 141 HA ALA 20 HA ALA 20 54.890 -0.257 5.094 142 1HB ALA 20 HB2 ALA 20 52.447 0.234 3.811 143 2HB ALA 20 HB1 ALA 20 52.472 -1.510 4.072 144 3HB ALA 20 HB3 ALA 20 52.665 -0.410 5.439 145 H GLU 21 HN GLU 21 54.649 -1.653 1.883 146 HA GLU 21 HA GLU 21 54.861 -4.409 2.787 147 1HB GLU 21 HB2 GLU 21 55.326 -4.884 0.381 148 2HB GLU 21 HB1 GLU 21 53.869 -3.917 0.610 149 1HG GLU 21 HG2 GLU 21 54.934 -1.931 -0.097 150 2HG GLU 21 HG1 GLU 21 56.545 -2.611 0.130 151 H PHE 22 HN PHE 22 57.120 -1.865 1.892 152 HA PHE 22 HA PHE 22 59.443 -3.510 1.573 153 1HB PHE 22 HB2 PHE 22 59.023 -0.612 2.307 154 2HB PHE 22 HB1 PHE 22 60.638 -1.317 2.274 155 HD1 PHE 22 HD1 PHE 22 58.385 -2.907 -0.020 156 HD2 PHE 22 HD2 PHE 22 60.979 0.486 0.444 157 HE1 PHE 22 HE1 PHE 22 58.458 -2.627 -2.482 158 HE2 PHE 22 HE2 PHE 22 61.052 0.765 -2.018 159 HZ PHE 22 HZ PHE 22 59.792 -0.792 -3.482 160 H LYS 23 HN LYS 23 58.023 -1.915 4.420 161 HA LYS 23 HA LYS 23 60.042 -2.450 6.302 162 1HB LYS 23 HB2 LYS 23 57.548 -1.372 6.445 163 2HB LYS 23 HB1 LYS 23 57.268 -2.924 7.233 164 1HG LYS 23 HG2 LYS 23 59.427 -0.928 7.974 165 2HG LYS 23 HG1 LYS 23 57.946 -1.229 8.884 166 1HD LYS 23 HD2 LYS 23 58.713 -3.688 8.976 167 2HD LYS 23 HD1 LYS 23 60.290 -3.085 8.462 168 1HE LYS 23 HE2 LYS 23 60.482 -3.026 10.795 169 2HE LYS 23 HE1 LYS 23 59.985 -1.376 10.425 170 1HZ LYS 23 HZ2 LYS 23 57.928 -3.414 10.912 171 2HZ LYS 23 HZ1 LYS 23 58.751 -2.747 12.239 172 3HZ LYS 23 HZ3 LYS 23 57.877 -1.738 11.193 173 H ALA 24 HN ALA 24 57.885 -4.647 4.697 174 HA ALA 24 HA ALA 24 57.960 -6.811 6.566 175 1HB ALA 24 HB2 ALA 24 56.903 -6.353 3.986 176 2HB ALA 24 HB1 ALA 24 57.960 -7.757 3.837 177 3HB ALA 24 HB3 ALA 24 56.643 -7.765 5.008 178 H ALA 25 HN ALA 25 59.847 -6.452 3.535 179 HA ALA 25 HA ALA 25 61.666 -8.556 4.080 180 1HB ALA 25 HB1 ALA 25 61.316 -6.643 2.057 181 2HB ALA 25 HB3 ALA 25 62.943 -6.355 2.677 182 3HB ALA 25 HB2 ALA 25 62.500 -7.951 2.074 183 H PHE 26 HN PHE 26 61.764 -5.127 4.991 184 HA PHE 26 HA PHE 26 64.384 -4.964 5.994 185 1HB PHE 26 HB2 PHE 26 62.580 -3.128 5.864 186 2HB PHE 26 HB1 PHE 26 62.022 -3.737 7.423 187 HD1 PHE 26 HD1 PHE 26 64.943 -2.298 5.630 188 HD2 PHE 26 HD2 PHE 26 63.221 -3.285 9.438 189 HE1 PHE 26 HE1 PHE 26 66.740 -1.027 6.772 190 HE2 PHE 26 HE2 PHE 26 65.017 -2.014 10.582 191 HZ PHE 26 HZ PHE 26 66.777 -0.884 9.247 192 H ASP 27 HN ASP 27 61.480 -5.649 7.985 193 HA ASP 27 HA ASP 27 62.881 -6.450 10.306 194 1HB ASP 27 HB2 ASP 27 60.470 -6.038 10.330 195 2HB ASP 27 HB1 ASP 27 60.200 -7.417 9.265 196 H MET 28 HN MET 28 62.488 -8.083 7.288 197 HA MET 28 HA MET 28 62.792 -10.788 8.190 198 1HB MET 28 HB2 MET 28 62.558 -9.451 5.706 199 2HB MET 28 HB1 MET 28 64.056 -10.381 5.632 200 1HG MET 28 HG2 MET 28 62.964 -12.378 5.685 201 2HG MET 28 HG1 MET 28 61.774 -11.806 6.852 202 1HE MET 28 HE2 MET 28 63.077 -11.804 3.333 203 2HE MET 28 HE1 MET 28 61.792 -11.163 2.314 204 3HE MET 28 HE3 MET 28 62.718 -10.079 3.362 205 H PHE 29 HN PHE 29 65.268 -8.707 6.633 206 HA PHE 29 HA PHE 29 67.399 -10.414 7.681 207 1HB PHE 29 HB2 PHE 29 67.683 -7.699 6.370 208 2HB PHE 29 HB1 PHE 29 68.899 -8.972 6.477 209 HD1 PHE 29 HD1 PHE 29 68.085 -11.335 5.513 210 HD2 PHE 29 HD2 PHE 29 66.478 -7.515 4.389 211 HE1 PHE 29 HE1 PHE 29 67.251 -12.312 3.392 212 HE2 PHE 29 HE2 PHE 29 65.643 -8.491 2.267 213 HZ PHE 29 HZ PHE 29 66.029 -10.890 1.769 214 H ASP 30 HN ASP 30 65.547 -7.949 9.000 215 HA ASP 30 HA ASP 30 67.720 -6.789 10.626 216 1HB ASP 30 HB2 ASP 30 65.902 -5.325 9.844 217 2HB ASP 30 HB1 ASP 30 64.721 -6.328 10.688 218 H ALA 31 HN ALA 31 68.118 -9.115 11.456 219 HA ALA 31 HA ALA 31 66.174 -10.174 13.356 220 1HB ALA 31 HB3 ALA 31 68.386 -11.202 12.009 221 2HB ALA 31 HB2 ALA 31 68.912 -11.133 13.691 222 3HB ALA 31 HB1 ALA 31 67.457 -12.032 13.257 223 H ASP 32 HN ASP 32 68.303 -7.597 13.476 224 HA ASP 32 HA ASP 32 69.328 -7.886 16.161 225 1HB ASP 32 HB2 ASP 32 69.854 -6.174 14.108 226 2HB ASP 32 HB1 ASP 32 68.857 -5.147 15.138 227 H GLY 33 HN GLY 33 66.388 -6.487 14.779 228 1HA GLY 33 HA2 GLY 33 64.320 -6.208 15.932 229 2HA GLY 33 HA1 GLY 33 65.154 -6.537 17.453 230 H GLY 34 HN GLY 34 67.225 -4.458 16.290 231 1HA GLY 34 HA2 GLY 34 66.043 -2.191 17.727 232 2HA GLY 34 HA1 GLY 34 67.660 -2.242 17.021 233 H GLY 35 HN GLY 35 66.260 -3.274 14.460 234 1HA GLY 35 HA2 GLY 35 64.831 -2.242 12.764 235 2HA GLY 35 HA1 GLY 35 65.058 -0.692 13.576 236 H ASP 36 HN ASP 36 67.242 -3.219 12.271 237 HA ASP 36 HA ASP 36 68.356 -1.377 10.312 238 1HB ASP 36 HB2 ASP 36 70.718 -1.671 11.407 239 2HB ASP 36 HB1 ASP 36 69.640 -0.415 12.019 240 H ILE 37 HN ILE 37 69.137 -2.601 8.651 241 HA ILE 37 HA ILE 37 69.630 -5.492 9.212 242 HB ILE 37 HB ILE 37 67.930 -5.498 7.639 243 1HG1 ILE 37 HG12 ILE 37 70.447 -5.265 5.965 244 2HG1 ILE 37 HG11 ILE 37 69.753 -6.748 6.621 245 1HG2 ILE 37 HG21 ILE 37 69.209 -3.041 6.410 246 2HG2 ILE 37 HG23 ILE 37 67.739 -3.818 5.818 247 3HG2 ILE 37 HG22 ILE 37 67.760 -3.071 7.417 248 1HD1 ILE 37 HD13 ILE 37 67.638 -6.164 5.300 249 2HD1 ILE 37 HD12 ILE 37 68.618 -4.955 4.469 250 3HD1 ILE 37 HD11 ILE 37 69.036 -6.665 4.348 251 H SER 38 HN SER 38 71.286 -6.462 7.649 252 HA SER 38 HA SER 38 73.724 -4.819 7.801 253 1HB SER 38 HB2 SER 38 73.328 -7.643 6.770 254 2HB SER 38 HB1 SER 38 74.877 -6.866 7.083 255 HG SER 38 HG SER 38 73.157 -8.073 8.796 256 H THR 39 HN THR 39 74.782 -3.927 6.041 257 HA THR 39 HA THR 39 73.345 -3.361 3.659 258 HB THR 39 HB THR 39 75.799 -2.926 2.778 259 HG1 THR 39 HG1 THR 39 77.184 -3.655 4.168 260 1HG2 THR 39 HG22 THR 39 74.123 -1.216 3.499 261 2HG2 THR 39 HG21 THR 39 74.705 -1.399 5.154 262 3HG2 THR 39 HG23 THR 39 75.782 -0.773 3.905 263 H LYS 40 HN LYS 40 75.207 -6.142 4.575 264 HA LYS 40 HA LYS 40 75.694 -7.092 1.870 265 1HB LYS 40 HB2 LYS 40 75.730 -8.530 4.540 266 2HB LYS 40 HB1 LYS 40 76.272 -9.235 3.017 267 1HG LYS 40 HG2 LYS 40 77.790 -7.125 2.848 268 2HG LYS 40 HG1 LYS 40 77.487 -6.966 4.580 269 1HD LYS 40 HD2 LYS 40 78.168 -9.461 4.721 270 2HD LYS 40 HD1 LYS 40 78.851 -9.220 3.112 271 1HE LYS 40 HE2 LYS 40 79.588 -7.070 4.942 272 2HE LYS 40 HE1 LYS 40 80.116 -8.647 5.527 273 1HZ LYS 40 HZ2 LYS 40 80.592 -8.506 2.769 274 2HZ LYS 40 HZ1 LYS 40 81.238 -7.109 3.488 275 3HZ LYS 40 HZ3 LYS 40 81.724 -8.640 4.029 276 H ALA 41 HN ALA 41 73.181 -7.573 4.310 277 HA ALA 41 HA ALA 41 71.831 -9.706 2.902 278 1HB ALA 41 HB1 ALA 41 71.264 -7.943 5.224 279 2HB ALA 41 HB3 ALA 41 69.853 -8.588 4.385 280 3HB ALA 41 HB2 ALA 41 71.057 -9.687 5.059 281 H LEU 42 HN LEU 42 72.166 -6.407 2.247 282 HA LEU 42 HA LEU 42 69.583 -5.757 1.218 283 1HB LEU 42 HB2 LEU 42 72.308 -4.660 1.041 284 2HB LEU 42 HB1 LEU 42 71.296 -4.317 -0.364 285 HG LEU 42 HG LEU 42 69.619 -3.274 0.976 286 1HD1 LEU 42 HD13 LEU 42 71.159 -4.403 3.332 287 2HD1 LEU 42 HD12 LEU 42 69.863 -3.218 3.489 288 3HD1 LEU 42 HD11 LEU 42 69.518 -4.818 2.835 289 1HD2 LEU 42 HD21 LEU 42 71.881 -2.087 0.603 290 2HD2 LEU 42 HD23 LEU 42 70.803 -1.417 1.828 291 3HD2 LEU 42 HD22 LEU 42 72.179 -2.411 2.310 292 H GLY 43 HN GLY 43 72.423 -7.259 -0.331 293 1HA GLY 43 HA2 GLY 43 71.504 -7.294 -2.989 294 2HA GLY 43 HA1 GLY 43 72.496 -8.577 -2.285 295 H THR 44 HN THR 44 70.598 -9.304 -0.241 296 HA THR 44 HA THR 44 68.924 -11.108 -1.792 297 HB THR 44 HB THR 44 69.070 -10.542 1.183 298 HG1 THR 44 HG1 THR 44 70.361 -12.235 -0.602 299 1HG2 THR 44 HG21 THR 44 66.882 -11.539 0.170 300 2HG2 THR 44 HG23 THR 44 67.854 -12.993 -0.068 301 3HG2 THR 44 HG22 THR 44 67.619 -12.346 1.555 302 H VAL 45 HN VAL 45 68.438 -8.062 -0.059 303 HA VAL 45 HA VAL 45 65.566 -8.213 0.022 304 HB VAL 45 HB VAL 45 67.245 -5.698 -0.119 305 1HG1 VAL 45 HG12 VAL 45 64.435 -6.282 0.226 306 2HG1 VAL 45 HG11 VAL 45 65.070 -5.498 1.673 307 3HG1 VAL 45 HG13 VAL 45 65.233 -4.714 0.101 308 1HG2 VAL 45 HG22 VAL 45 67.654 -7.703 1.687 309 2HG2 VAL 45 HG21 VAL 45 67.901 -5.995 2.052 310 3HG2 VAL 45 HG23 VAL 45 66.388 -6.782 2.502 311 H MET 46 HN MET 46 67.814 -6.755 -2.333 312 HA MET 46 HA MET 46 65.747 -5.687 -4.021 313 1HB MET 46 HB2 MET 46 68.617 -6.455 -4.624 314 2HB MET 46 HB1 MET 46 67.569 -5.587 -5.745 315 1HG MET 46 HG2 MET 46 67.206 -3.986 -3.671 316 2HG MET 46 HG1 MET 46 68.753 -4.659 -3.154 317 1HE MET 46 HE3 MET 46 67.512 -1.998 -3.851 318 2HE MET 46 HE2 MET 46 68.751 -1.038 -4.654 319 3HE MET 46 HE1 MET 46 67.375 -1.636 -5.577 320 H ARG 47 HN ARG 47 67.788 -8.617 -4.456 321 HA ARG 47 HA ARG 47 66.625 -9.636 -6.760 322 1HB ARG 47 HB2 ARG 47 67.326 -11.823 -6.066 323 2HB ARG 47 HB1 ARG 47 68.498 -10.686 -5.402 324 1HG ARG 47 HG2 ARG 47 67.413 -10.754 -3.231 325 2HG ARG 47 HG1 ARG 47 66.118 -11.766 -3.869 326 1HD ARG 47 HD2 ARG 47 69.042 -12.510 -3.606 327 2HD ARG 47 HD1 ARG 47 67.688 -13.202 -2.714 328 HE ARG 47 HE ARG 47 68.127 -13.592 -5.646 329 1HH1 ARG 47 HH11 ARG 47 67.973 -15.123 -2.684 330 2HH1 ARG 47 HH12 ARG 47 66.860 -16.357 -3.172 331 1HH2 ARG 47 HH21 ARG 47 66.194 -14.909 -6.252 332 2HH2 ARG 47 HH22 ARG 47 65.852 -16.238 -5.193 333 H MET 48 HN MET 48 65.323 -9.806 -3.460 334 HA MET 48 HA MET 48 63.046 -11.440 -4.205 335 1HB MET 48 HB2 MET 48 63.917 -9.911 -1.799 336 2HB MET 48 HB1 MET 48 62.191 -10.238 -1.953 337 1HG MET 48 HG2 MET 48 62.941 -12.676 -2.485 338 2HG MET 48 HG1 MET 48 64.468 -12.197 -1.748 339 1HE MET 48 HE2 MET 48 65.062 -12.106 0.149 340 2HE MET 48 HE1 MET 48 64.216 -11.043 1.271 341 3HE MET 48 HE3 MET 48 64.268 -12.787 1.566 342 H LEU 49 HN LEU 49 63.017 -8.070 -3.010 343 HA LEU 49 HA LEU 49 60.685 -7.569 -4.794 344 1HB LEU 49 HB2 LEU 49 60.457 -5.486 -3.339 345 2HB LEU 49 HB1 LEU 49 60.190 -7.024 -2.516 346 HG LEU 49 HG LEU 49 63.004 -6.252 -2.509 347 1HD1 LEU 49 HD12 LEU 49 60.947 -4.394 -1.290 348 2HD1 LEU 49 HD11 LEU 49 62.638 -4.426 -0.792 349 3HD1 LEU 49 HD13 LEU 49 62.214 -3.977 -2.443 350 1HD2 LEU 49 HD22 LEU 49 61.167 -7.721 -0.968 351 2HD2 LEU 49 HD21 LEU 49 62.873 -7.457 -0.605 352 3HD2 LEU 49 HD23 LEU 49 61.653 -6.371 0.059 353 H GLY 50 HN GLY 50 62.881 -7.607 -6.316 354 1HA GLY 50 HA2 GLY 50 63.041 -5.013 -7.448 355 2HA GLY 50 HA1 GLY 50 64.450 -5.223 -6.407 356 H GLN 51 HN GLN 51 66.197 -6.112 -7.374 357 HA GLN 51 HA GLN 51 65.783 -8.096 -9.547 358 1HB GLN 51 HB2 GLN 51 67.563 -6.924 -10.890 359 2HB GLN 51 HB1 GLN 51 66.065 -6.006 -10.737 360 1HG GLN 51 HG2 GLN 51 67.347 -5.099 -8.547 361 2HG GLN 51 HG1 GLN 51 68.742 -5.465 -9.561 362 1HE2 GLN 51 HE22 GLN 51 66.740 -2.105 -10.282 363 2HE2 GLN 51 HE21 GLN 51 66.651 -2.980 -8.831 364 H ASN 52 HN ASN 52 68.036 -9.056 -10.144 365 HA ASN 52 HA ASN 52 69.719 -9.210 -7.675 366 1HB ASN 52 HB2 ASN 52 70.140 -11.638 -8.483 367 2HB ASN 52 HB1 ASN 52 68.595 -11.291 -7.704 368 1HD2 ASN 52 HD22 ASN 52 67.117 -12.811 -10.549 369 2HD2 ASN 52 HD21 ASN 52 67.418 -12.941 -8.883 370 HA PRO 53 HA PRO 53 72.277 -8.096 -11.354 371 1HB PRO 53 HB2 PRO 53 73.393 -5.864 -10.200 372 2HB PRO 53 HB1 PRO 53 71.884 -5.835 -11.130 373 1HG PRO 53 HG2 PRO 53 72.273 -5.648 -8.179 374 2HG PRO 53 HG1 PRO 53 70.950 -5.025 -9.178 375 1HD PRO 53 HD2 PRO 53 70.869 -7.370 -7.592 376 2HD PRO 53 HD1 PRO 53 69.689 -6.909 -8.837 377 H THR 54 HN THR 54 74.809 -7.065 -10.775 378 HA THR 54 HA THR 54 76.057 -9.368 -9.452 379 HB THR 54 HB THR 54 77.175 -8.598 -11.420 380 HG1 THR 54 HG1 THR 54 78.565 -9.070 -9.674 381 1HG2 THR 54 HG22 THR 54 76.842 -5.884 -10.151 382 2HG2 THR 54 HG21 THR 54 78.042 -6.159 -11.412 383 3HG2 THR 54 HG23 THR 54 76.332 -6.420 -11.752 384 H LYS 55 HN LYS 55 77.293 -9.261 -7.533 385 HA LYS 55 HA LYS 55 76.394 -7.572 -5.465 386 1HB LYS 55 HB2 LYS 55 77.664 -9.662 -5.077 387 2HB LYS 55 HB1 LYS 55 79.118 -8.888 -5.709 388 1HG LYS 55 HG2 LYS 55 78.926 -7.152 -3.927 389 2HG LYS 55 HG1 LYS 55 77.546 -8.026 -3.263 390 1HD LYS 55 HD2 LYS 55 80.294 -9.247 -3.646 391 2HD LYS 55 HD1 LYS 55 79.721 -8.566 -2.122 392 1HE LYS 55 HE2 LYS 55 78.866 -10.608 -1.679 393 2HE LYS 55 HE1 LYS 55 77.650 -10.250 -2.906 394 1HZ LYS 55 HZ3 LYS 55 80.201 -11.175 -3.918 395 2HZ LYS 55 HZ2 LYS 55 79.324 -12.324 -3.023 396 3HZ LYS 55 HZ1 LYS 55 78.628 -11.596 -4.390 397 H GLU 56 HN GLU 56 78.651 -6.922 -8.009 398 HA GLU 56 HA GLU 56 80.213 -4.870 -6.806 399 1HB GLU 56 HB2 GLU 56 80.143 -6.009 -9.279 400 2HB GLU 56 HB1 GLU 56 79.407 -4.443 -9.626 401 1HG GLU 56 HG2 GLU 56 81.723 -4.059 -9.908 402 2HG GLU 56 HG1 GLU 56 81.380 -3.436 -8.294 403 H GLU 57 HN GLU 57 77.537 -4.268 -9.108 404 HA GLU 57 HA GLU 57 77.115 -1.581 -8.564 405 1HB GLU 57 HB2 GLU 57 75.870 -3.075 -10.231 406 2HB GLU 57 HB1 GLU 57 74.815 -3.518 -8.889 407 1HG GLU 57 HG2 GLU 57 73.629 -1.641 -9.240 408 2HG GLU 57 HG1 GLU 57 75.061 -0.690 -8.841 409 H LEU 58 HN LEU 58 75.971 -4.360 -6.676 410 HA LEU 58 HA LEU 58 74.276 -2.997 -4.866 411 1HB LEU 58 HB2 LEU 58 75.793 -5.534 -4.874 412 2HB LEU 58 HB1 LEU 58 75.437 -4.891 -3.270 413 HG LEU 58 HG LEU 58 73.653 -6.422 -4.199 414 1HD1 LEU 58 HD13 LEU 58 72.988 -3.533 -3.574 415 2HD1 LEU 58 HD12 LEU 58 71.775 -4.809 -3.664 416 3HD1 LEU 58 HD11 LEU 58 73.047 -4.887 -2.444 417 1HD2 LEU 58 HD23 LEU 58 74.054 -5.004 -6.518 418 2HD2 LEU 58 HD22 LEU 58 72.630 -5.991 -6.188 419 3HD2 LEU 58 HD21 LEU 58 72.586 -4.253 -5.892 420 H ASP 59 HN ASP 59 77.792 -3.614 -4.619 421 HA ASP 59 HA ASP 59 78.194 -2.304 -2.131 422 1HB ASP 59 HB2 ASP 59 79.871 -3.714 -3.445 423 2HB ASP 59 HB1 ASP 59 80.169 -2.279 -4.426 424 H ALA 60 HN ALA 60 78.373 -1.004 -5.457 425 HA ALA 60 HA ALA 60 79.030 1.673 -4.697 426 1HB ALA 60 HB1 ALA 60 79.095 0.648 -7.044 427 2HB ALA 60 HB3 ALA 60 77.353 0.916 -7.099 428 3HB ALA 60 HB2 ALA 60 78.450 2.286 -6.933 429 H ILE 61 HN ILE 61 76.081 -0.130 -4.554 430 HA ILE 61 HA ILE 61 74.307 2.178 -4.473 431 HB ILE 61 HB ILE 61 73.982 -0.749 -3.789 432 1HG1 ILE 61 HG12 ILE 61 72.733 1.021 -5.915 433 2HG1 ILE 61 HG11 ILE 61 74.105 -0.056 -6.182 434 1HG2 ILE 61 HG23 ILE 61 72.582 0.686 -2.278 435 2HG2 ILE 61 HG22 ILE 61 71.832 1.386 -3.713 436 3HG2 ILE 61 HG21 ILE 61 71.631 -0.331 -3.361 437 1HD1 ILE 61 HD12 ILE 61 71.432 -1.005 -5.122 438 2HD1 ILE 61 HD11 ILE 61 71.859 -1.029 -6.833 439 3HD1 ILE 61 HD13 ILE 61 72.777 -2.000 -5.681 440 H ILE 62 HN ILE 62 75.609 -0.069 -2.015 441 HA ILE 62 HA ILE 62 74.437 1.252 0.232 442 HB ILE 62 HB ILE 62 76.878 -0.507 -0.071 443 1HG1 ILE 62 HG12 ILE 62 74.529 -1.265 1.572 444 2HG1 ILE 62 HG11 ILE 62 74.230 -1.127 -0.161 445 1HG2 ILE 62 HG23 ILE 62 77.188 1.040 1.850 446 2HG2 ILE 62 HG22 ILE 62 75.633 0.520 2.498 447 3HG2 ILE 62 HG21 ILE 62 76.967 -0.628 2.375 448 1HD1 ILE 62 HD13 ILE 62 76.513 -2.725 1.028 449 2HD1 ILE 62 HD12 ILE 62 74.962 -3.426 0.568 450 3HD1 ILE 62 HD11 ILE 62 75.998 -2.700 -0.659 451 H GLU 63 HN GLU 63 77.207 1.994 -1.738 452 HA GLU 63 HA GLU 63 78.608 3.662 0.137 453 1HB GLU 63 HB2 GLU 63 79.002 2.804 -2.501 454 2HB GLU 63 HB1 GLU 63 78.853 4.558 -2.619 455 1HG GLU 63 HG2 GLU 63 81.161 4.172 -2.205 456 2HG GLU 63 HG1 GLU 63 80.497 4.663 -0.646 457 H GLU 64 HN GLU 64 76.004 4.296 -2.187 458 HA GLU 64 HA GLU 64 76.023 7.168 -1.527 459 1HB GLU 64 HB2 GLU 64 74.770 5.440 -3.568 460 2HB GLU 64 HB1 GLU 64 73.754 6.768 -3.005 461 1HG GLU 64 HG2 GLU 64 75.487 8.389 -3.530 462 2HG GLU 64 HG1 GLU 64 76.613 7.099 -3.953 463 H VAL 65 HN VAL 65 74.502 4.289 -0.422 464 HA VAL 65 HA VAL 65 72.177 5.700 0.712 465 HB VAL 65 HB VAL 65 73.105 2.837 1.096 466 1HG1 VAL 65 HG12 VAL 65 71.036 4.433 2.322 467 2HG1 VAL 65 HG11 VAL 65 70.308 3.133 1.377 468 3HG1 VAL 65 HG13 VAL 65 71.475 2.755 2.645 469 1HG2 VAL 65 HG21 VAL 65 72.432 3.758 -1.276 470 2HG2 VAL 65 HG23 VAL 65 71.758 2.228 -0.713 471 3HG2 VAL 65 HG22 VAL 65 70.795 3.705 -0.619 472 H ASP 66 HN ASP 66 75.377 4.763 1.662 473 HA ASP 66 HA ASP 66 74.772 5.056 4.540 474 1HB ASP 66 HB2 ASP 66 76.878 3.853 2.952 475 2HB ASP 66 HB1 ASP 66 77.559 4.935 4.167 476 H GLU 67 HN GLU 67 74.062 7.393 3.779 477 HA GLU 67 HA GLU 67 76.088 9.329 3.173 478 1HB GLU 67 HB2 GLU 67 74.422 10.992 3.707 479 2HB GLU 67 HB1 GLU 67 73.593 9.654 2.909 480 1HG GLU 67 HG2 GLU 67 72.838 8.773 5.036 481 2HG GLU 67 HG1 GLU 67 73.802 9.960 5.918 482 H ASP 68 HN ASP 68 75.201 7.722 6.104 483 HA ASP 68 HA ASP 68 76.702 9.726 7.720 484 1HB ASP 68 HB2 ASP 68 75.804 8.198 9.635 485 2HB ASP 68 HB1 ASP 68 74.669 9.269 8.811 486 H GLY 69 HN GLY 69 76.777 6.415 6.571 487 1HA GLY 69 HA2 GLY 69 78.631 4.954 6.478 488 2HA GLY 69 HA1 GLY 69 79.603 6.205 7.257 489 H SER 70 HN SER 70 76.569 4.998 8.583 490 HA SER 70 HA SER 70 77.746 4.487 11.151 491 1HB SER 70 HB2 SER 70 75.482 3.084 11.336 492 2HB SER 70 HB1 SER 70 75.475 4.845 11.358 493 HG SER 70 HG SER 70 74.325 3.209 9.617 494 H GLY 71 HN GLY 71 77.339 2.540 8.284 495 1HA GLY 71 HA2 GLY 71 78.778 0.582 7.968 496 2HA GLY 71 HA1 GLY 71 78.701 0.301 9.708 497 H THR 72 HN THR 72 75.665 1.212 8.624 498 HA THR 72 HA THR 72 74.818 -1.478 7.768 499 HB THR 72 HB THR 72 72.962 -1.024 9.747 500 HG1 THR 72 HG1 THR 72 73.924 0.418 10.959 501 1HG2 THR 72 HG23 THR 72 75.426 -2.708 9.509 502 2HG2 THR 72 HG22 THR 72 74.539 -2.714 11.034 503 3HG2 THR 72 HG21 THR 72 73.733 -3.201 9.543 504 H ILE 73 HN ILE 73 72.222 -1.364 7.649 505 HA ILE 73 HA ILE 73 71.566 1.309 6.469 506 HB ILE 73 HB ILE 73 70.587 -1.436 5.635 507 1HG1 ILE 73 HG12 ILE 73 72.975 -0.716 5.042 508 2HG1 ILE 73 HG11 ILE 73 71.939 -1.166 3.688 509 1HG2 ILE 73 HG21 ILE 73 68.889 0.377 5.401 510 2HG2 ILE 73 HG23 ILE 73 70.037 1.286 4.417 511 3HG2 ILE 73 HG22 ILE 73 69.415 -0.262 3.845 512 1HD1 ILE 73 HD12 ILE 73 71.605 1.639 4.297 513 2HD1 ILE 73 HD11 ILE 73 73.312 1.275 4.044 514 3HD1 ILE 73 HD13 ILE 73 72.134 0.891 2.790 515 H ASP 74 HN ASP 74 69.606 2.221 7.055 516 HA ASP 74 HA ASP 74 68.013 0.709 9.088 517 1HB ASP 74 HB2 ASP 74 67.928 3.704 8.786 518 2HB ASP 74 HB1 ASP 74 67.575 2.725 10.210 519 H PHE 75 HN PHE 75 65.626 1.425 9.079 520 HA PHE 75 HA PHE 75 64.434 0.872 6.591 521 1HB PHE 75 HB2 PHE 75 63.384 0.996 8.981 522 2HB PHE 75 HB1 PHE 75 63.072 2.684 8.573 523 HD1 PHE 75 HD2 PHE 75 63.025 -0.426 6.485 524 HD2 PHE 75 HD1 PHE 75 60.794 2.894 8.049 525 HE1 PHE 75 HE2 PHE 75 61.057 -1.115 5.141 526 HE2 PHE 75 HE1 PHE 75 58.827 2.206 6.705 527 HZ PHE 75 HZ PHE 75 58.958 0.201 5.251 528 H GLU 76 HN GLU 76 65.418 3.980 7.964 529 HA GLU 76 HA GLU 76 64.138 5.621 5.979 530 1HB GLU 76 HB2 GLU 76 66.692 6.312 7.442 531 2HB GLU 76 HB1 GLU 76 65.448 7.414 6.850 532 1HG GLU 76 HG2 GLU 76 64.216 5.495 8.589 533 2HG GLU 76 HG1 GLU 76 65.612 6.190 9.414 534 H GLU 77 HN GLU 77 67.415 4.236 6.209 535 HA GLU 77 HA GLU 77 68.284 5.411 3.697 536 1HB GLU 77 HB2 GLU 77 69.446 3.036 5.181 537 2HB GLU 77 HB1 GLU 77 70.263 4.026 3.973 538 1HG GLU 77 HG2 GLU 77 70.035 6.002 5.445 539 2HG GLU 77 HG1 GLU 77 69.249 4.993 6.661 540 H PHE 78 HN PHE 78 66.392 2.679 4.553 541 HA PHE 78 HA PHE 78 67.020 0.972 2.324 542 1HB PHE 78 HB2 PHE 78 65.414 0.786 4.582 543 2HB PHE 78 HB1 PHE 78 64.251 0.818 3.257 544 HD1 PHE 78 HD1 PHE 78 67.263 -0.914 4.573 545 HD2 PHE 78 HD2 PHE 78 64.031 -1.021 1.748 546 HE1 PHE 78 HE1 PHE 78 67.820 -3.268 4.027 547 HE2 PHE 78 HE2 PHE 78 64.585 -3.373 1.202 548 HZ PHE 78 HZ PHE 78 66.482 -4.498 2.340 549 H LEU 79 HN LEU 79 64.101 2.976 2.864 550 HA LEU 79 HA LEU 79 63.042 2.804 0.281 551 1HB LEU 79 HB2 LEU 79 63.025 5.346 1.927 552 2HB LEU 79 HB1 LEU 79 61.805 4.801 0.774 553 HG LEU 79 HG LEU 79 62.261 2.769 2.782 554 1HD1 LEU 79 HD11 LEU 79 62.632 5.306 3.829 555 2HD1 LEU 79 HD13 LEU 79 60.921 5.002 4.128 556 3HD1 LEU 79 HD12 LEU 79 62.137 3.885 4.749 557 1HD2 LEU 79 HD22 LEU 79 60.268 3.062 1.282 558 2HD2 LEU 79 HD21 LEU 79 59.844 2.911 2.989 559 3HD2 LEU 79 HD23 LEU 79 59.834 4.496 2.214 560 H VAL 80 HN VAL 80 65.836 4.580 1.385 561 HA VAL 80 HA VAL 80 66.012 6.386 -0.867 562 HB VAL 80 HB VAL 80 68.248 5.347 0.899 563 1HG1 VAL 80 HG11 VAL 80 67.954 7.752 -0.917 564 2HG1 VAL 80 HG13 VAL 80 69.238 7.597 0.282 565 3HG1 VAL 80 HG12 VAL 80 69.133 6.447 -1.049 566 1HG2 VAL 80 HG21 VAL 80 66.028 6.658 1.785 567 2HG2 VAL 80 HG23 VAL 80 67.621 6.825 2.524 568 3HG2 VAL 80 HG22 VAL 80 67.060 8.022 1.356 569 H MET 81 HN MET 81 67.444 3.203 -0.149 570 HA MET 81 HA MET 81 69.078 2.981 -2.450 571 1HB MET 81 HB2 MET 81 68.585 1.371 -0.330 572 2HB MET 81 HB1 MET 81 67.662 0.524 -1.570 573 1HG MET 81 HG2 MET 81 69.553 0.134 -2.898 574 2HG MET 81 HG1 MET 81 70.469 1.440 -2.145 575 1HE MET 81 HE1 MET 81 70.331 1.585 0.309 576 2HE MET 81 HE3 MET 81 69.865 0.259 1.382 577 3HE MET 81 HE2 MET 81 71.566 0.561 1.037 578 H MET 82 HN MET 82 65.653 2.078 -1.998 579 HA MET 82 HA MET 82 65.242 0.984 -4.590 580 1HB MET 82 HB2 MET 82 63.317 2.441 -2.754 581 2HB MET 82 HB1 MET 82 62.830 1.545 -4.193 582 1HG MET 82 HG2 MET 82 64.579 0.135 -2.230 583 2HG MET 82 HG1 MET 82 62.895 0.394 -1.777 584 1HE MET 82 HE2 MET 82 65.476 -1.192 -3.730 585 2HE MET 82 HE1 MET 82 64.776 -2.516 -2.802 586 3HE MET 82 HE3 MET 82 64.732 -2.549 -4.570 587 H VAL 83 HN VAL 83 64.322 4.269 -3.471 588 HA VAL 83 HA VAL 83 63.937 5.201 -6.191 589 HB VAL 83 HB VAL 83 64.340 6.935 -3.747 590 1HG1 VAL 83 HG13 VAL 83 63.284 7.254 -6.503 591 2HG1 VAL 83 HG12 VAL 83 62.362 8.051 -5.229 592 3HG1 VAL 83 HG11 VAL 83 64.069 8.436 -5.456 593 1HG2 VAL 83 HG23 VAL 83 62.068 5.149 -4.532 594 2HG2 VAL 83 HG22 VAL 83 62.664 5.560 -2.923 595 3HG2 VAL 83 HG21 VAL 83 61.688 6.719 -3.825 596 H ARG 84 HN ARG 84 66.724 4.480 -4.553 597 HA ARG 84 HA ARG 84 68.376 6.750 -5.160 598 1HB ARG 84 HB2 ARG 84 69.168 5.175 -3.531 599 2HB ARG 84 HB1 ARG 84 69.020 3.834 -4.667 600 1HG ARG 84 HG2 ARG 84 71.116 4.206 -5.382 601 2HG ARG 84 HG1 ARG 84 70.657 5.833 -5.881 602 1HD ARG 84 HD2 ARG 84 71.420 5.100 -3.044 603 2HD ARG 84 HD1 ARG 84 72.546 5.778 -4.220 604 HE ARG 84 HE ARG 84 70.249 7.214 -3.005 605 1HH1 ARG 84 HH11 ARG 84 70.788 7.902 -5.928 606 2HH1 ARG 84 HH12 ARG 84 71.856 9.255 -5.760 607 1HH2 ARG 84 HH21 ARG 84 72.569 8.620 -2.427 608 2HH2 ARG 84 HH22 ARG 84 72.864 9.662 -3.778 609 H GLN 85 HN GLN 85 67.568 3.792 -6.954 610 HA GLN 85 HA GLN 85 68.964 5.000 -9.312 611 1HB GLN 85 HB2 GLN 85 68.676 2.102 -8.488 612 2HB GLN 85 HB1 GLN 85 69.179 2.590 -10.107 613 1HG GLN 85 HG2 GLN 85 70.661 4.024 -8.052 614 2HG GLN 85 HG1 GLN 85 70.846 2.279 -7.884 615 1HE2 GLN 85 HE22 GLN 85 72.761 1.926 -10.843 616 2HE2 GLN 85 HE21 GLN 85 71.966 1.129 -9.573 617 H MET 86 HN MET 86 66.208 3.008 -8.248 618 HA MET 86 HA MET 86 64.901 2.643 -10.694 619 1HB MET 86 HB2 MET 86 62.902 2.310 -9.466 620 2HB MET 86 HB1 MET 86 64.182 1.870 -8.336 621 1HG MET 86 HG2 MET 86 63.252 3.351 -6.905 622 2HG MET 86 HG1 MET 86 63.888 4.613 -7.961 623 1HE MET 86 HE3 MET 86 61.395 2.465 -6.741 624 2HE MET 86 HE2 MET 86 59.900 3.391 -6.832 625 3HE MET 86 HE1 MET 86 60.281 2.220 -8.092 626 H LYS 87 HN LYS 87 65.425 5.587 -8.939 627 HA LYS 87 HA LYS 87 63.315 7.096 -10.265 628 1HB LYS 87 HB2 LYS 87 65.012 7.520 -8.079 629 2HB LYS 87 HB1 LYS 87 65.532 8.704 -9.278 630 1HG LYS 87 HG2 LYS 87 62.596 8.347 -8.818 631 2HG LYS 87 HG1 LYS 87 63.530 9.245 -7.619 632 1HD LYS 87 HD2 LYS 87 62.954 10.960 -9.073 633 2HD LYS 87 HD1 LYS 87 64.500 10.461 -9.761 634 1HE LYS 87 HE2 LYS 87 63.530 9.697 -11.657 635 2HE LYS 87 HE1 LYS 87 62.243 8.885 -10.765 636 1HZ LYS 87 HZ3 LYS 87 62.312 11.823 -11.111 637 2HZ LYS 87 HZ2 LYS 87 61.565 10.797 -12.241 638 3HZ LYS 87 HZ1 LYS 87 61.003 10.852 -10.639 639 H GLU 88 HN GLU 88 66.890 7.343 -10.465 640 HA GLU 88 HA GLU 88 66.530 8.079 -13.344 641 1HB GLU 88 HB2 GLU 88 67.722 9.584 -11.235 642 2HB GLU 88 HB1 GLU 88 69.015 9.074 -12.322 643 1HG GLU 88 HG2 GLU 88 67.469 9.862 -14.232 644 2HG GLU 88 HG1 GLU 88 66.553 10.692 -12.974 645 H ASP 89 HN ASP 89 68.093 7.222 -14.794 646 HA ASP 89 HA ASP 89 70.166 5.420 -13.687 647 1HB ASP 89 HB2 ASP 89 67.697 4.543 -15.060 648 2HB ASP 89 HB1 ASP 89 69.187 3.830 -15.680 649 H ALA 90 HN ALA 90 71.662 6.922 -14.621 650 HA ALA 90 HA ALA 90 71.565 7.860 -17.307 651 1HB ALA 90 HB3 ALA 90 73.247 8.245 -15.159 652 2HB ALA 90 HB2 ALA 90 74.269 7.333 -16.270 653 3HB ALA 90 HB1 ALA 90 73.540 8.853 -16.788 No H/Q in entry = 653 Start of MODEL 17 1 1H ALA 1 HT3 ALA 1 74.194 11.088 11.709 2 2H ALA 1 HT2 ALA 1 74.142 11.191 10.015 3 3H ALA 1 HT1 ALA 1 75.418 11.914 10.875 4 HA ALA 1 HA ALA 1 73.945 13.515 11.852 5 1HB ALA 1 HB1 ALA 1 74.808 13.566 9.310 6 2HB ALA 1 HB3 ALA 1 73.071 13.553 8.999 7 3HB ALA 1 HB2 ALA 1 73.783 14.839 9.973 8 H SER 2 HN SER 2 71.606 14.526 10.924 9 HA SER 2 HA SER 2 69.650 12.663 12.005 10 1HB SER 2 HB2 SER 2 69.639 15.482 11.032 11 2HB SER 2 HB1 SER 2 68.101 14.623 11.035 12 HG SER 2 HG SER 2 69.108 15.798 13.051 13 H MET 3 HN MET 3 67.407 12.988 10.444 14 HA MET 3 HA MET 3 67.716 11.037 8.421 15 1HB MET 3 HB2 MET 3 65.507 12.019 7.541 16 2HB MET 3 HB1 MET 3 65.509 11.442 9.208 17 1HG MET 3 HG2 MET 3 66.384 14.199 9.098 18 2HG MET 3 HG1 MET 3 64.813 14.020 8.316 19 1HE MET 3 HE1 MET 3 65.332 15.735 10.306 20 2HE MET 3 HE3 MET 3 63.837 15.595 11.240 21 3HE MET 3 HE2 MET 3 65.392 15.291 12.009 22 H THR 4 HN THR 4 69.233 11.378 6.825 23 HA THR 4 HA THR 4 70.042 13.806 5.689 24 HB THR 4 HB THR 4 70.099 12.030 3.543 25 HG1 THR 4 HG1 THR 4 70.983 10.197 5.024 26 1HG2 THR 4 HG23 THR 4 71.899 13.098 5.577 27 2HG2 THR 4 HG22 THR 4 72.394 11.499 5.024 28 3HG2 THR 4 HG21 THR 4 72.192 12.810 3.862 29 H ASP 5 HN ASP 5 69.481 14.730 3.539 30 HA ASP 5 HA ASP 5 66.637 15.137 3.290 31 1HB ASP 5 HB2 ASP 5 69.055 15.959 1.705 32 2HB ASP 5 HB1 ASP 5 67.444 16.204 1.026 33 H GLN 6 HN GLN 6 68.863 12.852 1.914 34 HA GLN 6 HA GLN 6 67.486 12.167 -0.474 35 1HB GLN 6 HB2 GLN 6 68.721 10.116 -0.429 36 2HB GLN 6 HB1 GLN 6 69.772 11.336 0.293 37 1HG GLN 6 HG2 GLN 6 68.886 10.611 2.556 38 2HG GLN 6 HG1 GLN 6 68.112 9.255 1.735 39 1HE2 GLN 6 HE22 GLN 6 71.718 8.427 0.617 40 2HE2 GLN 6 HE21 GLN 6 70.492 9.225 -0.240 41 H GLN 7 HN GLN 7 66.892 11.277 2.885 42 HA GLN 7 HA GLN 7 64.940 9.223 2.264 43 1HB GLN 7 HB2 GLN 7 65.568 10.792 4.774 44 2HB GLN 7 HB1 GLN 7 64.305 9.560 4.711 45 1HG GLN 7 HG2 GLN 7 65.820 7.899 4.851 46 2HG GLN 7 HG1 GLN 7 66.768 8.579 3.528 47 1HE2 GLN 7 HE22 GLN 7 68.773 8.686 6.731 48 2HE2 GLN 7 HE21 GLN 7 67.972 7.434 5.909 49 H ALA 8 HN ALA 8 64.857 12.699 2.647 50 HA ALA 8 HA ALA 8 62.003 12.927 3.035 51 1HB ALA 8 HB1 ALA 8 63.787 14.713 3.493 52 2HB ALA 8 HB3 ALA 8 63.782 15.010 1.755 53 3HB ALA 8 HB2 ALA 8 62.314 15.266 2.696 54 H GLU 9 HN GLU 9 64.114 13.039 0.168 55 HA GLU 9 HA GLU 9 61.810 13.409 -1.618 56 1HB GLU 9 HB2 GLU 9 64.600 13.829 -1.801 57 2HB GLU 9 HB1 GLU 9 64.216 12.574 -2.980 58 1HG GLU 9 HG2 GLU 9 62.423 13.994 -3.910 59 2HG GLU 9 HG1 GLU 9 62.817 15.255 -2.739 60 H ALA 10 HN ALA 10 63.512 10.778 -0.194 61 HA ALA 10 HA ALA 10 63.039 8.803 -2.239 62 1HB ALA 10 HB3 ALA 10 63.720 8.732 0.682 63 2HB ALA 10 HB2 ALA 10 63.198 7.245 -0.112 64 3HB ALA 10 HB1 ALA 10 64.629 8.098 -0.691 65 H ARG 11 HN ARG 11 61.282 9.600 0.776 66 HA ARG 11 HA ARG 11 59.156 7.720 0.307 67 1HB ARG 11 HB2 ARG 11 59.752 9.875 2.207 68 2HB ARG 11 HB1 ARG 11 58.033 9.736 1.837 69 1HG ARG 11 HG2 ARG 11 57.843 7.766 2.937 70 2HG ARG 11 HG1 ARG 11 59.338 7.140 2.242 71 1HD ARG 11 HD2 ARG 11 59.999 7.327 4.447 72 2HD ARG 11 HD1 ARG 11 60.423 8.944 3.882 73 HE ARG 11 HE ARG 11 58.525 8.424 5.908 74 1HH1 ARG 11 HH21 ARG 11 56.443 8.945 3.940 75 2HH1 ARG 11 HH22 ARG 11 56.322 10.672 3.916 76 1HH2 ARG 11 HH11 ARG 11 59.393 11.170 5.450 77 2HH2 ARG 11 HH12 ARG 11 57.994 11.932 4.770 78 H ALA 12 HN ALA 12 59.733 11.025 -0.742 79 HA ALA 12 HA ALA 12 57.078 11.677 -1.559 80 1HB ALA 12 HB3 ALA 12 59.246 13.150 -1.457 81 2HB ALA 12 HB2 ALA 12 59.487 12.591 -3.113 82 3HB ALA 12 HB1 ALA 12 58.033 13.492 -2.689 83 H PHE 13 HN PHE 13 59.699 9.948 -3.221 84 HA PHE 13 HA PHE 13 58.111 9.656 -5.669 85 1HB PHE 13 HB2 PHE 13 60.523 9.791 -5.900 86 2HB PHE 13 HB1 PHE 13 60.746 8.443 -4.785 87 HD1 PHE 13 HD2 PHE 13 60.176 6.144 -5.448 88 HD2 PHE 13 HD1 PHE 13 59.766 9.431 -8.184 89 HE1 PHE 13 HE2 PHE 13 59.983 4.548 -7.337 90 HE2 PHE 13 HE1 PHE 13 59.571 7.834 -10.072 91 HZ PHE 13 HZ PHE 13 59.679 5.393 -9.648 92 H LEU 14 HN LEU 14 58.737 7.829 -2.751 93 HA LEU 14 HA LEU 14 57.449 5.416 -3.892 94 1HB LEU 14 HB2 LEU 14 58.493 5.853 -1.079 95 2HB LEU 14 HB1 LEU 14 58.106 4.310 -1.844 96 HG LEU 14 HG LEU 14 60.202 6.198 -2.940 97 1HD1 LEU 14 HD11 LEU 14 60.314 4.641 -0.549 98 2HD1 LEU 14 HD13 LEU 14 61.336 3.855 -1.752 99 3HD1 LEU 14 HD12 LEU 14 61.619 5.542 -1.321 100 1HD2 LEU 14 HD23 LEU 14 59.164 4.441 -4.429 101 2HD2 LEU 14 HD22 LEU 14 60.905 4.258 -4.207 102 3HD2 LEU 14 HD21 LEU 14 59.788 3.217 -3.321 103 H SER 15 HN SER 15 55.343 4.888 -3.460 104 HA SER 15 HA SER 15 53.736 6.827 -1.926 105 1HB SER 15 HB2 SER 15 53.116 4.508 -3.739 106 2HB SER 15 HB1 SER 15 51.867 5.159 -2.682 107 HG SER 15 HG SER 15 52.918 6.172 -4.974 108 H GLU 16 HN GLU 16 52.178 6.009 -0.273 109 HA GLU 16 HA GLU 16 53.473 4.491 1.756 110 1HB GLU 16 HB2 GLU 16 50.670 5.435 1.284 111 2HB GLU 16 HB1 GLU 16 50.954 4.248 2.557 112 1HG GLU 16 HG2 GLU 16 51.773 5.843 3.915 113 2HG GLU 16 HG1 GLU 16 52.968 6.302 2.702 114 H GLU 17 HN GLU 17 51.451 3.522 -0.935 115 HA GLU 17 HA GLU 17 50.747 0.910 0.000 116 1HB GLU 17 HB2 GLU 17 50.573 0.407 -2.507 117 2HB GLU 17 HB1 GLU 17 49.582 1.739 -1.912 118 1HG GLU 17 HG2 GLU 17 50.803 3.323 -3.020 119 2HG GLU 17 HG1 GLU 17 52.323 2.463 -2.776 120 H MET 18 HN MET 18 53.666 2.197 -1.483 121 HA MET 18 HA MET 18 54.805 -0.507 -1.813 122 1HB MET 18 HB2 MET 18 55.332 2.127 -2.882 123 2HB MET 18 HB1 MET 18 56.809 1.446 -2.198 124 1HG MET 18 HG2 MET 18 56.779 -0.400 -3.637 125 2HG MET 18 HG1 MET 18 55.049 -0.251 -3.950 126 1HE MET 18 HE3 MET 18 57.716 -0.627 -5.629 127 2HE MET 18 HE2 MET 18 56.307 -0.645 -6.688 128 3HE MET 18 HE1 MET 18 57.666 0.416 -7.056 129 H ILE 19 HN ILE 19 55.771 2.483 -0.079 130 HA ILE 19 HA ILE 19 57.867 1.501 1.441 131 HB ILE 19 HB ILE 19 55.652 3.407 2.235 132 1HG1 ILE 19 HG12 ILE 19 58.335 4.471 2.030 133 2HG1 ILE 19 HG11 ILE 19 57.909 3.610 0.550 134 1HG2 ILE 19 HG21 ILE 19 56.644 2.358 4.256 135 2HG2 ILE 19 HG23 ILE 19 58.248 2.829 3.695 136 3HG2 ILE 19 HG22 ILE 19 57.069 4.066 4.129 137 1HD1 ILE 19 HD12 ILE 19 55.735 5.286 1.600 138 2HD1 ILE 19 HD11 ILE 19 57.169 6.200 1.134 139 3HD1 ILE 19 HD13 ILE 19 56.364 5.160 -0.042 140 H ALA 20 HN ALA 20 54.427 0.870 1.890 141 HA ALA 20 HA ALA 20 54.661 -0.354 4.487 142 1HB ALA 20 HB2 ALA 20 52.533 0.452 3.218 143 2HB ALA 20 HB1 ALA 20 52.576 -1.140 2.459 144 3HB ALA 20 HB3 ALA 20 52.417 -1.003 4.209 145 H GLU 21 HN GLU 21 54.571 -1.718 1.184 146 HA GLU 21 HA GLU 21 54.803 -4.448 1.961 147 1HB GLU 21 HB2 GLU 21 55.715 -3.019 -0.552 148 2HB GLU 21 HB1 GLU 21 55.721 -4.773 -0.363 149 1HG GLU 21 HG2 GLU 21 53.221 -3.177 0.169 150 2HG GLU 21 HG1 GLU 21 53.643 -3.677 -1.470 151 H PHE 22 HN PHE 22 57.290 -1.988 1.311 152 HA PHE 22 HA PHE 22 59.513 -3.809 1.596 153 1HB PHE 22 HB2 PHE 22 59.525 -0.820 2.091 154 2HB PHE 22 HB1 PHE 22 60.897 -1.834 1.645 155 HD1 PHE 22 HD1 PHE 22 58.756 -3.463 -0.251 156 HD2 PHE 22 HD2 PHE 22 60.212 0.570 0.057 157 HE1 PHE 22 HE1 PHE 22 58.244 -3.094 -2.649 158 HE2 PHE 22 HE2 PHE 22 59.700 0.935 -2.341 159 HZ PHE 22 HZ PHE 22 58.716 -0.895 -3.694 160 H LYS 23 HN LYS 23 57.594 -1.917 3.854 161 HA LYS 23 HA LYS 23 59.347 -2.009 6.093 162 1HB LYS 23 HB2 LYS 23 56.911 -0.917 5.670 163 2HB LYS 23 HB1 LYS 23 56.437 -2.335 6.607 164 1HG LYS 23 HG2 LYS 23 58.387 -0.162 7.414 165 2HG LYS 23 HG1 LYS 23 56.853 -0.568 8.185 166 1HD LYS 23 HD2 LYS 23 57.746 -2.781 8.809 167 2HD LYS 23 HD1 LYS 23 59.280 -2.378 8.039 168 1HE LYS 23 HE2 LYS 23 59.547 -1.945 10.390 169 2HE LYS 23 HE1 LYS 23 59.420 -0.379 9.588 170 1HZ LYS 23 HZ1 LYS 23 57.126 -1.801 10.819 171 2HZ LYS 23 HZ3 LYS 23 58.027 -0.600 11.608 172 3HZ LYS 23 HZ2 LYS 23 57.143 -0.215 10.210 173 H ALA 24 HN ALA 24 57.078 -4.388 4.797 174 HA ALA 24 HA ALA 24 57.336 -6.204 7.048 175 1HB ALA 24 HB2 ALA 24 55.748 -6.037 4.721 176 2HB ALA 24 HB1 ALA 24 56.657 -7.542 4.577 177 3HB ALA 24 HB3 ALA 24 55.646 -7.254 5.993 178 H ALA 25 HN ALA 25 59.087 -5.658 4.059 179 HA ALA 25 HA ALA 25 60.553 -8.162 4.128 180 1HB ALA 25 HB1 ALA 25 60.184 -6.285 2.212 181 2HB ALA 25 HB3 ALA 25 61.772 -5.800 2.803 182 3HB ALA 25 HB2 ALA 25 61.523 -7.432 2.185 183 H PHE 26 HN PHE 26 61.793 -4.825 4.553 184 HA PHE 26 HA PHE 26 64.221 -5.519 5.776 185 1HB PHE 26 HB2 PHE 26 63.998 -3.249 5.197 186 2HB PHE 26 HB1 PHE 26 62.432 -3.101 5.989 187 HD1 PHE 26 HD2 PHE 26 62.280 -3.023 8.468 188 HD2 PHE 26 HD1 PHE 26 66.056 -2.987 6.424 189 HE1 PHE 26 HE2 PHE 26 63.391 -2.226 10.538 190 HE2 PHE 26 HE1 PHE 26 67.170 -2.190 8.494 191 HZ PHE 26 HZ PHE 26 65.836 -1.809 10.550 192 H ASP 27 HN ASP 27 60.992 -5.604 7.065 193 HA ASP 27 HA ASP 27 61.504 -5.464 9.842 194 1HB ASP 27 HB2 ASP 27 59.358 -6.374 8.124 195 2HB ASP 27 HB1 ASP 27 59.548 -7.461 9.500 196 H MET 28 HN MET 28 61.267 -8.441 7.855 197 HA MET 28 HA MET 28 62.260 -10.135 9.945 198 1HB MET 28 HB2 MET 28 61.590 -11.730 8.502 199 2HB MET 28 HB1 MET 28 61.202 -10.462 7.344 200 1HG MET 28 HG2 MET 28 62.669 -11.873 6.152 201 2HG MET 28 HG1 MET 28 63.719 -10.569 6.704 202 1HE MET 28 HE3 MET 28 65.820 -11.135 7.055 203 2HE MET 28 HE2 MET 28 66.513 -12.633 7.670 204 3HE MET 28 HE1 MET 28 65.704 -12.622 6.104 205 H PHE 29 HN PHE 29 63.856 -8.101 7.612 206 HA PHE 29 HA PHE 29 66.436 -9.453 7.861 207 1HB PHE 29 HB2 PHE 29 65.515 -6.880 6.583 208 2HB PHE 29 HB1 PHE 29 67.229 -7.282 6.701 209 HD1 PHE 29 HD2 PHE 29 63.969 -8.825 5.665 210 HD2 PHE 29 HD1 PHE 29 68.209 -8.559 5.012 211 HE1 PHE 29 HE2 PHE 29 63.761 -10.336 3.712 212 HE2 PHE 29 HE1 PHE 29 67.996 -10.073 3.061 213 HZ PHE 29 HZ PHE 29 65.776 -10.960 2.408 214 H ASP 30 HN ASP 30 64.708 -7.067 9.668 215 HA ASP 30 HA ASP 30 67.231 -6.413 11.138 216 1HB ASP 30 HB2 ASP 30 66.366 -4.273 11.651 217 2HB ASP 30 HB1 ASP 30 65.907 -4.522 9.967 218 H ALA 31 HN ALA 31 65.121 -8.649 11.429 219 HA ALA 31 HA ALA 31 63.810 -8.113 13.965 220 1HB ALA 31 HB2 ALA 31 63.593 -10.061 11.977 221 2HB ALA 31 HB1 ALA 31 64.222 -10.937 13.371 222 3HB ALA 31 HB3 ALA 31 62.714 -10.031 13.504 223 H ASP 32 HN ASP 32 67.012 -8.575 13.227 224 HA ASP 32 HA ASP 32 67.791 -10.381 15.353 225 1HB ASP 32 HB2 ASP 32 69.518 -8.251 14.073 226 2HB ASP 32 HB1 ASP 32 70.044 -9.758 14.821 227 H GLY 33 HN GLY 33 66.613 -7.221 15.381 228 1HA GLY 33 HA2 GLY 33 66.229 -5.904 17.331 229 2HA GLY 33 HA1 GLY 33 67.354 -6.935 18.217 230 H GLY 34 HN GLY 34 68.447 -5.789 15.158 231 1HA GLY 34 HA2 GLY 34 70.347 -3.985 16.574 232 2HA GLY 34 HA1 GLY 34 70.604 -4.676 14.972 233 H GLY 35 HN GLY 35 67.515 -3.866 14.735 234 1HA GLY 35 HA2 GLY 35 66.337 -2.035 13.854 235 2HA GLY 35 HA1 GLY 35 67.538 -0.990 14.613 236 H ASP 36 HN ASP 36 69.004 -3.320 12.654 237 HA ASP 36 HA ASP 36 68.761 -1.948 10.104 238 1HB ASP 36 HB2 ASP 36 71.168 -1.232 10.021 239 2HB ASP 36 HB1 ASP 36 70.204 -0.318 11.183 240 H ILE 37 HN ILE 37 70.332 -2.958 8.491 241 HA ILE 37 HA ILE 37 71.257 -5.639 9.398 242 HB ILE 37 HB ILE 37 70.070 -6.796 7.797 243 1HG1 ILE 37 HG12 ILE 37 70.233 -4.258 6.157 244 2HG1 ILE 37 HG11 ILE 37 70.895 -5.849 5.783 245 1HG2 ILE 37 HG22 ILE 37 68.580 -5.120 9.260 246 2HG2 ILE 37 HG21 ILE 37 68.171 -4.499 7.660 247 3HG2 ILE 37 HG23 ILE 37 67.864 -6.189 8.055 248 1HD1 ILE 37 HD11 ILE 37 68.611 -6.747 5.529 249 2HD1 ILE 37 HD13 ILE 37 67.944 -5.157 5.902 250 3HD1 ILE 37 HD12 ILE 37 68.884 -5.396 4.429 251 H SER 38 HN SER 38 73.297 -6.090 8.698 252 HA SER 38 HA SER 38 75.016 -4.231 7.563 253 1HB SER 38 HB2 SER 38 74.995 -7.238 7.501 254 2HB SER 38 HB1 SER 38 76.235 -6.353 6.617 255 HG SER 38 HG SER 38 76.756 -6.900 8.844 256 H THR 39 HN THR 39 75.513 -3.564 5.455 257 HA THR 39 HA THR 39 73.484 -3.800 3.469 258 HB THR 39 HB THR 39 74.868 -2.528 2.075 259 HG1 THR 39 HG1 THR 39 77.134 -3.430 3.511 260 1HG2 THR 39 HG21 THR 39 74.824 -1.939 4.843 261 2HG2 THR 39 HG23 THR 39 76.448 -1.551 4.273 262 3HG2 THR 39 HG22 THR 39 75.043 -0.809 3.508 263 H LYS 40 HN LYS 40 75.932 -5.979 4.418 264 HA LYS 40 HA LYS 40 76.419 -7.312 1.925 265 1HB LYS 40 HB2 LYS 40 76.359 -8.536 4.703 266 2HB LYS 40 HB1 LYS 40 77.184 -9.188 3.287 267 1HG LYS 40 HG2 LYS 40 78.361 -6.821 3.268 268 2HG LYS 40 HG1 LYS 40 77.903 -6.814 4.972 269 1HD LYS 40 HD2 LYS 40 79.332 -9.158 3.711 270 2HD LYS 40 HD1 LYS 40 80.207 -7.799 4.417 271 1HE LYS 40 HE2 LYS 40 78.075 -9.290 5.952 272 2HE LYS 40 HE1 LYS 40 79.762 -9.807 5.960 273 1HZ LYS 40 HZ2 LYS 40 78.952 -7.033 6.605 274 2HZ LYS 40 HZ1 LYS 40 79.053 -8.246 7.792 275 3HZ LYS 40 HZ3 LYS 40 80.437 -7.794 6.922 276 H ALA 41 HN ALA 41 73.910 -7.619 4.394 277 HA ALA 41 HA ALA 41 72.586 -9.798 2.905 278 1HB ALA 41 HB3 ALA 41 72.710 -9.222 5.573 279 2HB ALA 41 HB2 ALA 41 71.160 -8.496 5.148 280 3HB ALA 41 HB1 ALA 41 71.446 -10.209 4.840 281 H LEU 42 HN LEU 42 72.737 -6.489 2.623 282 HA LEU 42 HA LEU 42 69.995 -5.763 2.278 283 1HB LEU 42 HB2 LEU 42 72.595 -4.571 1.795 284 2HB LEU 42 HB1 LEU 42 71.510 -4.242 0.445 285 HG LEU 42 HG LEU 42 71.157 -2.464 1.989 286 1HD1 LEU 42 HD11 LEU 42 69.111 -3.906 1.152 287 2HD1 LEU 42 HD13 LEU 42 68.956 -4.303 2.864 288 3HD1 LEU 42 HD12 LEU 42 68.865 -2.622 2.335 289 1HD2 LEU 42 HD23 LEU 42 71.676 -4.580 3.943 290 2HD2 LEU 42 HD22 LEU 42 71.889 -2.835 4.095 291 3HD2 LEU 42 HD21 LEU 42 70.310 -3.559 4.398 292 H GLY 43 HN GLY 43 72.447 -6.871 -0.075 293 1HA GLY 43 HA2 GLY 43 70.851 -6.769 -2.399 294 2HA GLY 43 HA1 GLY 43 72.159 -7.925 -2.154 295 H THR 44 HN THR 44 70.621 -8.845 0.345 296 HA THR 44 HA THR 44 69.197 -11.012 -0.972 297 HB THR 44 HB THR 44 69.452 -10.186 1.929 298 HG1 THR 44 HG1 THR 44 70.628 -12.347 1.728 299 1HG2 THR 44 HG22 THR 44 67.407 -11.716 0.944 300 2HG2 THR 44 HG21 THR 44 68.624 -12.943 1.288 301 3HG2 THR 44 HG23 THR 44 68.068 -11.870 2.571 302 H VAL 45 HN VAL 45 68.243 -8.168 0.956 303 HA VAL 45 HA VAL 45 65.441 -8.706 0.973 304 HB VAL 45 HB VAL 45 66.720 -5.959 0.886 305 1HG1 VAL 45 HG12 VAL 45 64.095 -6.590 0.814 306 2HG1 VAL 45 HG11 VAL 45 64.354 -6.627 2.559 307 3HG1 VAL 45 HG13 VAL 45 64.708 -5.161 1.644 308 1HG2 VAL 45 HG21 VAL 45 67.588 -7.747 2.625 309 2HG2 VAL 45 HG23 VAL 45 67.208 -6.111 3.161 310 3HG2 VAL 45 HG22 VAL 45 66.050 -7.416 3.424 311 H MET 46 HN MET 46 67.203 -6.385 -1.106 312 HA MET 46 HA MET 46 65.080 -5.841 -2.874 313 1HB MET 46 HB2 MET 46 66.811 -5.172 -4.501 314 2HB MET 46 HB1 MET 46 67.181 -4.567 -2.887 315 1HG MET 46 HG2 MET 46 68.589 -6.699 -2.592 316 2HG MET 46 HG1 MET 46 68.439 -6.899 -4.338 317 1HE MET 46 HE2 MET 46 68.225 -4.664 -5.591 318 2HE MET 46 HE1 MET 46 69.390 -3.347 -5.493 319 3HE MET 46 HE3 MET 46 69.869 -4.907 -6.175 320 H ARG 47 HN ARG 47 66.905 -8.740 -2.523 321 HA ARG 47 HA ARG 47 66.563 -9.749 -5.211 322 1HB ARG 47 HB2 ARG 47 68.206 -10.594 -3.437 323 2HB ARG 47 HB1 ARG 47 66.831 -11.422 -2.704 324 1HG ARG 47 HG2 ARG 47 66.416 -12.641 -4.789 325 2HG ARG 47 HG1 ARG 47 67.740 -11.777 -5.577 326 1HD ARG 47 HD2 ARG 47 69.356 -12.759 -4.040 327 2HD ARG 47 HD1 ARG 47 68.062 -13.535 -3.128 328 HE ARG 47 HE ARG 47 67.967 -14.329 -5.899 329 1HH1 ARG 47 HH21 ARG 47 70.815 -14.509 -4.426 330 2HH1 ARG 47 HH22 ARG 47 70.832 -16.216 -4.127 331 1HH2 ARG 47 HH11 ARG 47 67.474 -16.649 -4.872 332 2HH2 ARG 47 HH12 ARG 47 68.942 -17.425 -4.379 333 H MET 48 HN MET 48 64.752 -10.198 -2.168 334 HA MET 48 HA MET 48 62.763 -11.922 -3.378 335 1HB MET 48 HB2 MET 48 61.611 -11.776 -1.286 336 2HB MET 48 HB1 MET 48 63.331 -11.766 -0.895 337 1HG MET 48 HG2 MET 48 62.819 -9.089 -1.268 338 2HG MET 48 HG1 MET 48 61.315 -9.652 -0.537 339 1HE MET 48 HE2 MET 48 60.960 -10.794 1.232 340 2HE MET 48 HE1 MET 48 62.162 -11.806 2.032 341 3HE MET 48 HE3 MET 48 61.653 -10.280 2.769 342 H LEU 49 HN LEU 49 63.187 -8.470 -3.174 343 HA LEU 49 HA LEU 49 60.403 -7.788 -3.628 344 1HB LEU 49 HB2 LEU 49 62.624 -5.983 -4.518 345 2HB LEU 49 HB1 LEU 49 61.104 -5.576 -3.725 346 HG LEU 49 HG LEU 49 63.558 -6.816 -2.469 347 1HD1 LEU 49 HD12 LEU 49 62.802 -4.178 -2.832 348 2HD1 LEU 49 HD11 LEU 49 62.248 -4.530 -1.196 349 3HD1 LEU 49 HD13 LEU 49 63.944 -4.758 -1.620 350 1HD2 LEU 49 HD22 LEU 49 61.349 -7.857 -1.716 351 2HD2 LEU 49 HD21 LEU 49 62.314 -7.113 -0.441 352 3HD2 LEU 49 HD23 LEU 49 60.917 -6.262 -1.100 353 H GLY 50 HN GLY 50 63.207 -7.372 -5.823 354 1HA GLY 50 HA2 GLY 50 62.619 -8.805 -8.018 355 2HA GLY 50 HA1 GLY 50 61.368 -7.565 -8.129 356 H GLN 51 HN GLN 51 64.745 -7.261 -7.031 357 HA GLN 51 HA GLN 51 65.331 -5.605 -9.428 358 1HB GLN 51 HB2 GLN 51 65.574 -4.697 -6.550 359 2HB GLN 51 HB1 GLN 51 66.411 -3.899 -7.880 360 1HG GLN 51 HG2 GLN 51 64.279 -3.444 -8.993 361 2HG GLN 51 HG1 GLN 51 63.410 -4.312 -7.726 362 1HE2 GLN 51 HE22 GLN 51 64.381 -0.449 -7.146 363 2HE2 GLN 51 HE21 GLN 51 64.585 -1.228 -8.641 364 H ASN 52 HN ASN 52 66.970 -6.887 -10.221 365 HA ASN 52 HA ASN 52 69.225 -7.482 -8.345 366 1HB ASN 52 HB2 ASN 52 67.830 -9.483 -9.161 367 2HB ASN 52 HB1 ASN 52 68.519 -9.165 -10.754 368 1HD2 ASN 52 HD22 ASN 52 70.909 -11.539 -9.371 369 2HD2 ASN 52 HD21 ASN 52 69.390 -11.513 -10.127 370 HA PRO 53 HA PRO 53 70.825 -4.887 -11.763 371 1HB PRO 53 HB2 PRO 53 72.332 -3.287 -10.111 372 2HB PRO 53 HB1 PRO 53 70.632 -2.970 -10.499 373 1HG PRO 53 HG2 PRO 53 71.814 -4.031 -7.974 374 2HG PRO 53 HG1 PRO 53 70.309 -3.130 -8.217 375 1HD PRO 53 HD2 PRO 53 70.523 -5.927 -7.826 376 2HD PRO 53 HD1 PRO 53 69.080 -5.057 -8.394 377 H THR 54 HN THR 54 73.370 -4.203 -11.912 378 HA THR 54 HA THR 54 74.825 -6.729 -11.784 379 HB THR 54 HB THR 54 76.705 -5.343 -12.729 380 HG1 THR 54 HG1 THR 54 75.943 -3.195 -13.395 381 1HG2 THR 54 HG23 THR 54 74.337 -6.193 -13.917 382 2HG2 THR 54 HG22 THR 54 74.518 -4.532 -14.478 383 3HG2 THR 54 HG21 THR 54 75.804 -5.705 -14.765 384 H LYS 55 HN LYS 55 76.287 -7.337 -10.231 385 HA LYS 55 HA LYS 55 76.357 -6.272 -7.670 386 1HB LYS 55 HB2 LYS 55 77.391 -8.418 -8.177 387 2HB LYS 55 HB1 LYS 55 78.620 -7.628 -9.166 388 1HG LYS 55 HG2 LYS 55 78.497 -6.435 -6.523 389 2HG LYS 55 HG1 LYS 55 78.780 -8.173 -6.416 390 1HD LYS 55 HD2 LYS 55 80.599 -7.885 -8.156 391 2HD LYS 55 HD1 LYS 55 80.402 -6.142 -7.969 392 1HE LYS 55 HE2 LYS 55 82.208 -7.386 -6.529 393 2HE LYS 55 HE1 LYS 55 81.203 -6.150 -5.774 394 1HZ LYS 55 HZ3 LYS 55 80.415 -8.998 -5.784 395 2HZ LYS 55 HZ2 LYS 55 81.429 -8.360 -4.578 396 3HZ LYS 55 HZ1 LYS 55 79.855 -7.751 -4.779 397 H GLU 56 HN GLU 56 78.095 -5.143 -10.505 398 HA GLU 56 HA GLU 56 80.026 -3.499 -9.210 399 1HB GLU 56 HB2 GLU 56 78.716 -3.511 -11.904 400 2HB GLU 56 HB1 GLU 56 79.646 -2.088 -11.428 401 1HG GLU 56 HG2 GLU 56 81.054 -4.550 -10.766 402 2HG GLU 56 HG1 GLU 56 80.680 -4.460 -12.489 403 H GLU 57 HN GLU 57 76.863 -2.519 -10.591 404 HA GLU 57 HA GLU 57 76.928 0.102 -9.427 405 1HB GLU 57 HB2 GLU 57 74.758 -1.635 -10.585 406 2HB GLU 57 HB1 GLU 57 74.351 -0.107 -9.804 407 1HG GLU 57 HG2 GLU 57 76.108 0.977 -11.308 408 2HG GLU 57 HG1 GLU 57 76.133 -0.539 -12.209 409 H LEU 58 HN LEU 58 76.045 -3.019 -8.165 410 HA LEU 58 HA LEU 58 74.350 -2.192 -6.022 411 1HB LEU 58 HB2 LEU 58 74.939 -4.587 -6.876 412 2HB LEU 58 HB1 LEU 58 76.299 -4.473 -5.757 413 HG LEU 58 HG LEU 58 74.537 -3.751 -4.004 414 1HD1 LEU 58 HD13 LEU 58 72.811 -4.903 -6.206 415 2HD1 LEU 58 HD12 LEU 58 72.279 -4.823 -4.527 416 3HD1 LEU 58 HD11 LEU 58 72.643 -3.339 -5.408 417 1HD2 LEU 58 HD22 LEU 58 75.467 -6.300 -4.917 418 2HD2 LEU 58 HD21 LEU 58 74.986 -5.838 -3.284 419 3HD2 LEU 58 HD23 LEU 58 73.788 -6.481 -4.407 420 H ASP 59 HN ASP 59 77.886 -2.805 -6.037 421 HA ASP 59 HA ASP 59 78.410 -2.072 -3.369 422 1HB ASP 59 HB2 ASP 59 79.986 -2.903 -5.356 423 2HB ASP 59 HB1 ASP 59 80.326 -1.177 -5.485 424 H ALA 60 HN ALA 60 78.308 0.034 -6.259 425 HA ALA 60 HA ALA 60 78.908 2.463 -4.887 426 1HB ALA 60 HB1 ALA 60 78.276 1.714 -7.521 427 2HB ALA 60 HB3 ALA 60 77.021 2.863 -7.057 428 3HB ALA 60 HB2 ALA 60 78.720 3.326 -6.962 429 H ILE 61 HN ILE 61 75.953 0.616 -5.221 430 HA ILE 61 HA ILE 61 74.140 2.681 -4.355 431 HB ILE 61 HB ILE 61 74.013 -0.336 -4.430 432 1HG1 ILE 61 HG12 ILE 61 72.335 1.761 -5.833 433 2HG1 ILE 61 HG11 ILE 61 73.825 1.112 -6.516 434 1HG2 ILE 61 HG21 ILE 61 71.927 1.601 -3.387 435 2HG2 ILE 61 HG23 ILE 61 71.590 -0.076 -3.818 436 3HG2 ILE 61 HG22 ILE 61 72.696 0.289 -2.493 437 1HD1 ILE 61 HD12 ILE 61 72.231 -1.086 -5.617 438 2HD1 ILE 61 HD11 ILE 61 71.212 -0.034 -6.599 439 3HD1 ILE 61 HD13 ILE 61 72.709 -0.689 -7.268 440 H ILE 62 HN ILE 62 75.414 -0.158 -2.578 441 HA ILE 62 HA ILE 62 74.502 0.477 -0.021 442 HB ILE 62 HB ILE 62 77.116 -0.779 -0.898 443 1HG1 ILE 62 HG12 ILE 62 74.610 -2.004 0.293 444 2HG1 ILE 62 HG11 ILE 62 74.932 -1.921 -1.439 445 1HG2 ILE 62 HG23 ILE 62 75.895 -0.559 1.867 446 2HG2 ILE 62 HG22 ILE 62 77.221 -1.643 1.451 447 3HG2 ILE 62 HG21 ILE 62 77.442 0.103 1.343 448 1HD1 ILE 62 HD12 ILE 62 76.997 -3.098 0.399 449 2HD1 ILE 62 HD11 ILE 62 75.621 -4.076 -0.109 450 3HD1 ILE 62 HD13 ILE 62 76.725 -3.415 -1.314 451 H GLU 63 HN GLU 63 77.426 1.695 -1.657 452 HA GLU 63 HA GLU 63 78.370 3.229 0.585 453 1HB GLU 63 HB2 GLU 63 79.271 2.659 -2.011 454 2HB GLU 63 HB1 GLU 63 79.059 4.409 -1.977 455 1HG GLU 63 HG2 GLU 63 80.262 3.535 0.493 456 2HG GLU 63 HG1 GLU 63 81.197 2.922 -0.871 457 H GLU 64 HN GLU 64 76.193 3.976 -2.115 458 HA GLU 64 HA GLU 64 75.959 6.787 -1.353 459 1HB GLU 64 HB2 GLU 64 74.776 5.001 -3.426 460 2HB GLU 64 HB1 GLU 64 73.842 6.426 -2.969 461 1HG GLU 64 HG2 GLU 64 75.508 7.910 -3.679 462 2HG GLU 64 HG1 GLU 64 76.777 6.688 -3.569 463 H VAL 65 HN VAL 65 74.681 3.898 -0.148 464 HA VAL 65 HA VAL 65 72.173 5.176 0.795 465 HB VAL 65 HB VAL 65 73.201 2.343 1.153 466 1HG1 VAL 65 HG11 VAL 65 71.395 3.567 2.742 467 2HG1 VAL 65 HG13 VAL 65 70.328 3.063 1.429 468 3HG1 VAL 65 HG12 VAL 65 71.276 1.862 2.306 469 1HG2 VAL 65 HG23 VAL 65 72.027 3.679 -1.087 470 2HG2 VAL 65 HG22 VAL 65 72.429 1.970 -0.930 471 3HG2 VAL 65 HG21 VAL 65 70.837 2.552 -0.441 472 H ASP 66 HN ASP 66 75.297 4.062 1.955 473 HA ASP 66 HA ASP 66 74.546 4.490 4.771 474 1HB ASP 66 HB2 ASP 66 76.409 2.879 3.540 475 2HB ASP 66 HB1 ASP 66 77.407 4.208 4.129 476 H GLU 67 HN GLU 67 74.067 6.845 3.581 477 HA GLU 67 HA GLU 67 76.311 8.618 3.334 478 1HB GLU 67 HB2 GLU 67 73.355 8.912 3.575 479 2HB GLU 67 HB1 GLU 67 74.334 10.325 3.973 480 1HG GLU 67 HG2 GLU 67 74.999 8.821 1.477 481 2HG GLU 67 HG1 GLU 67 73.565 9.849 1.468 482 H ASP 68 HN ASP 68 74.792 7.215 6.062 483 HA ASP 68 HA ASP 68 75.571 9.362 7.915 484 1HB ASP 68 HB2 ASP 68 74.797 6.623 8.846 485 2HB ASP 68 HB1 ASP 68 74.392 8.194 9.538 486 H GLY 69 HN GLY 69 76.814 6.290 6.768 487 1HA GLY 69 HA2 GLY 69 79.085 5.579 6.920 488 2HA GLY 69 HA1 GLY 69 79.383 6.867 8.088 489 H SER 70 HN SER 70 76.567 5.060 8.746 490 HA SER 70 HA SER 70 77.752 3.995 11.189 491 1HB SER 70 HB2 SER 70 75.544 3.301 11.751 492 2HB SER 70 HB1 SER 70 75.344 4.825 10.891 493 HG SER 70 HG SER 70 74.202 3.756 9.502 494 H GLY 71 HN GLY 71 77.927 2.964 8.057 495 1HA GLY 71 HA2 GLY 71 78.492 0.906 7.084 496 2HA GLY 71 HA1 GLY 71 78.999 0.409 8.699 497 H THR 72 HN THR 72 75.734 1.455 8.427 498 HA THR 72 HA THR 72 74.749 -1.315 8.019 499 HB THR 72 HB THR 72 73.168 -0.520 10.107 500 HG1 THR 72 HG1 THR 72 75.721 0.086 11.037 501 1HG2 THR 72 HG23 THR 72 75.299 -2.408 9.612 502 2HG2 THR 72 HG22 THR 72 75.353 -1.854 11.285 503 3HG2 THR 72 HG21 THR 72 73.880 -2.584 10.646 504 H ILE 73 HN ILE 73 72.540 -1.377 7.336 505 HA ILE 73 HA ILE 73 71.506 1.281 6.439 506 HB ILE 73 HB ILE 73 70.819 -1.481 5.388 507 1HG1 ILE 73 HG12 ILE 73 73.218 -0.752 5.032 508 2HG1 ILE 73 HG11 ILE 73 72.306 -1.018 3.547 509 1HG2 ILE 73 HG21 ILE 73 69.571 1.049 5.084 510 2HG2 ILE 73 HG23 ILE 73 70.393 0.701 3.563 511 3HG2 ILE 73 HG22 ILE 73 69.214 -0.440 4.208 512 1HD1 ILE 73 HD11 ILE 73 71.833 1.670 4.231 513 2HD1 ILE 73 HD13 ILE 73 73.556 1.414 4.505 514 3HD1 ILE 73 HD12 ILE 73 72.856 1.075 2.922 515 H ASP 74 HN ASP 74 69.463 1.915 7.091 516 HA ASP 74 HA ASP 74 67.931 -0.039 8.765 517 1HB ASP 74 HB2 ASP 74 67.118 1.968 10.044 518 2HB ASP 74 HB1 ASP 74 68.849 1.676 10.215 519 H PHE 75 HN PHE 75 65.527 0.999 8.992 520 HA PHE 75 HA PHE 75 64.282 0.708 6.489 521 1HB PHE 75 HB2 PHE 75 63.247 0.759 8.878 522 2HB PHE 75 HB1 PHE 75 63.092 2.494 8.599 523 HD1 PHE 75 HD2 PHE 75 62.747 -0.461 6.321 524 HD2 PHE 75 HD1 PHE 75 60.863 2.981 8.067 525 HE1 PHE 75 HE2 PHE 75 60.730 -0.863 4.935 526 HE2 PHE 75 HE1 PHE 75 58.845 2.580 6.680 527 HZ PHE 75 HZ PHE 75 58.779 0.658 5.113 528 H GLU 76 HN GLU 76 65.127 3.758 8.164 529 HA GLU 76 HA GLU 76 64.114 5.539 6.222 530 1HB GLU 76 HB2 GLU 76 66.346 5.692 8.222 531 2HB GLU 76 HB1 GLU 76 66.167 6.986 7.037 532 1HG GLU 76 HG2 GLU 76 63.675 6.116 8.397 533 2HG GLU 76 HG1 GLU 76 64.849 6.966 9.402 534 H GLU 77 HN GLU 77 67.452 4.250 6.460 535 HA GLU 77 HA GLU 77 68.258 5.364 3.923 536 1HB GLU 77 HB2 GLU 77 69.442 2.987 5.392 537 2HB GLU 77 HB1 GLU 77 70.242 3.967 4.162 538 1HG GLU 77 HG2 GLU 77 70.149 5.932 5.603 539 2HG GLU 77 HG1 GLU 77 69.232 5.033 6.813 540 H PHE 78 HN PHE 78 66.287 2.721 4.753 541 HA PHE 78 HA PHE 78 66.895 0.936 2.578 542 1HB PHE 78 HB2 PHE 78 65.193 0.898 4.783 543 2HB PHE 78 HB1 PHE 78 64.091 0.946 3.407 544 HD1 PHE 78 HD1 PHE 78 67.002 -0.877 4.849 545 HD2 PHE 78 HD2 PHE 78 63.783 -0.947 2.007 546 HE1 PHE 78 HE1 PHE 78 67.444 -3.277 4.409 547 HE2 PHE 78 HE2 PHE 78 64.225 -3.349 1.565 548 HZ PHE 78 HZ PHE 78 66.055 -4.513 2.768 549 H LEU 79 HN LEU 79 64.089 3.119 2.989 550 HA LEU 79 HA LEU 79 63.059 2.978 0.403 551 1HB LEU 79 HB2 LEU 79 63.280 5.512 2.060 552 2HB LEU 79 HB1 LEU 79 62.112 5.201 0.776 553 HG LEU 79 HG LEU 79 62.337 3.576 3.329 554 1HD1 LEU 79 HD12 LEU 79 60.789 6.006 2.586 555 2HD1 LEU 79 HD11 LEU 79 59.922 4.755 3.476 556 3HD1 LEU 79 HD13 LEU 79 61.372 5.484 4.164 557 1HD2 LEU 79 HD22 LEU 79 61.438 2.484 1.188 558 2HD2 LEU 79 HD21 LEU 79 60.362 2.457 2.587 559 3HD2 LEU 79 HD23 LEU 79 60.098 3.627 1.294 560 H VAL 80 HN VAL 80 66.010 4.475 1.474 561 HA VAL 80 HA VAL 80 66.399 6.230 -0.778 562 HB VAL 80 HB VAL 80 68.410 4.915 1.076 563 1HG1 VAL 80 HG13 VAL 80 68.665 6.846 -1.195 564 2HG1 VAL 80 HG12 VAL 80 69.684 7.097 0.223 565 3HG1 VAL 80 HG11 VAL 80 69.774 5.579 -0.670 566 1HG2 VAL 80 HG23 VAL 80 66.898 7.526 1.089 567 2HG2 VAL 80 HG22 VAL 80 67.059 6.344 2.387 568 3HG2 VAL 80 HG21 VAL 80 68.431 7.361 1.943 569 H MET 81 HN MET 81 67.726 2.981 -0.051 570 HA MET 81 HA MET 81 69.157 2.571 -2.416 571 1HB MET 81 HB2 MET 81 69.033 1.025 -0.418 572 2HB MET 81 HB1 MET 81 67.485 0.452 -1.043 573 1HG MET 81 HG2 MET 81 68.466 -0.477 -2.969 574 2HG MET 81 HG1 MET 81 69.937 0.481 -2.788 575 1HE MET 81 HE1 MET 81 71.184 0.572 -0.820 576 2HE MET 81 HE3 MET 81 70.633 -0.238 0.654 577 3HE MET 81 HE2 MET 81 72.008 -0.878 -0.245 578 H MET 82 HN MET 82 65.676 2.324 -1.868 579 HA MET 82 HA MET 82 64.990 1.037 -4.327 580 1HB MET 82 HB2 MET 82 63.565 2.662 -2.277 581 2HB MET 82 HB1 MET 82 62.793 2.516 -3.858 582 1HG MET 82 HG2 MET 82 62.029 0.701 -2.423 583 2HG MET 82 HG1 MET 82 63.041 0.040 -3.707 584 1HE MET 82 HE2 MET 82 64.514 -1.639 -3.340 585 2HE MET 82 HE1 MET 82 65.737 -0.370 -3.341 586 3HE MET 82 HE3 MET 82 65.813 -1.674 -2.148 587 H VAL 83 HN VAL 83 64.230 4.439 -3.617 588 HA VAL 83 HA VAL 83 64.063 5.202 -6.357 589 HB VAL 83 HB VAL 83 64.736 7.035 -4.044 590 1HG1 VAL 83 HG12 VAL 83 64.759 7.851 -6.481 591 2HG1 VAL 83 HG11 VAL 83 63.018 7.562 -6.477 592 3HG1 VAL 83 HG13 VAL 83 63.720 8.736 -5.364 593 1HG2 VAL 83 HG22 VAL 83 62.466 5.314 -4.401 594 2HG2 VAL 83 HG21 VAL 83 62.752 6.495 -3.125 595 3HG2 VAL 83 HG23 VAL 83 61.944 6.985 -4.614 596 H ARG 84 HN ARG 84 66.835 4.454 -4.560 597 HA ARG 84 HA ARG 84 68.698 6.375 -5.507 598 1HB ARG 84 HB2 ARG 84 69.074 4.638 -3.699 599 2HB ARG 84 HB1 ARG 84 69.268 3.447 -4.987 600 1HG ARG 84 HG2 ARG 84 71.451 4.058 -4.904 601 2HG ARG 84 HG1 ARG 84 70.909 5.434 -5.863 602 1HD ARG 84 HD2 ARG 84 70.328 6.338 -3.374 603 2HD ARG 84 HD1 ARG 84 71.726 5.325 -3.015 604 HE ARG 84 HE ARG 84 72.948 6.685 -4.779 605 1HH1 ARG 84 HH21 ARG 84 71.505 8.481 -6.155 606 2HH1 ARG 84 HH22 ARG 84 71.250 9.868 -5.149 607 1HH2 ARG 84 HH11 ARG 84 72.016 8.202 -2.206 608 2HH2 ARG 84 HH12 ARG 84 71.539 9.709 -2.913 609 H GLN 85 HN GLN 85 68.009 3.094 -6.791 610 HA GLN 85 HA GLN 85 69.335 3.900 -9.327 611 1HB GLN 85 HB2 GLN 85 69.348 1.540 -9.876 612 2HB GLN 85 HB1 GLN 85 69.924 1.716 -8.218 613 1HG GLN 85 HG2 GLN 85 67.093 1.509 -8.093 614 2HG GLN 85 HG1 GLN 85 67.657 0.231 -9.171 615 1HE2 GLN 85 HE22 GLN 85 69.404 0.197 -5.446 616 2HE2 GLN 85 HE21 GLN 85 69.265 1.667 -6.284 617 H MET 86 HN MET 86 66.256 3.840 -7.988 618 HA MET 86 HA MET 86 64.919 3.246 -10.575 619 1HB MET 86 HB2 MET 86 64.103 3.297 -7.725 620 2HB MET 86 HB1 MET 86 62.892 3.870 -8.873 621 1HG MET 86 HG2 MET 86 64.070 1.541 -10.000 622 2HG MET 86 HG1 MET 86 63.687 1.165 -8.321 623 1HE MET 86 HE2 MET 86 61.371 2.966 -7.588 624 2HE MET 86 HE1 MET 86 59.965 1.973 -7.968 625 3HE MET 86 HE3 MET 86 61.404 1.239 -7.247 626 H LYS 87 HN LYS 87 66.467 5.810 -9.474 627 HA LYS 87 HA LYS 87 64.488 7.914 -9.606 628 1HB LYS 87 HB2 LYS 87 67.150 7.757 -8.859 629 2HB LYS 87 HB1 LYS 87 67.218 8.676 -10.364 630 1HG LYS 87 HG2 LYS 87 65.395 10.159 -9.450 631 2HG LYS 87 HG1 LYS 87 65.562 9.318 -7.908 632 1HD LYS 87 HD2 LYS 87 68.140 10.181 -8.971 633 2HD LYS 87 HD1 LYS 87 67.037 11.533 -8.723 634 1HE LYS 87 HE2 LYS 87 67.817 9.446 -6.668 635 2HE LYS 87 HE1 LYS 87 68.281 11.148 -6.665 636 1HZ LYS 87 HZ3 LYS 87 65.480 10.925 -6.893 637 2HZ LYS 87 HZ2 LYS 87 66.005 10.011 -5.559 638 3HZ LYS 87 HZ1 LYS 87 66.391 11.662 -5.666 639 H GLU 88 HN GLU 88 66.889 6.667 -11.945 640 HA GLU 88 HA GLU 88 65.220 6.922 -14.210 641 1HB GLU 88 HB2 GLU 88 65.930 9.441 -13.283 642 2HB GLU 88 HB1 GLU 88 67.099 9.139 -14.569 643 1HG GLU 88 HG2 GLU 88 64.902 8.272 -15.832 644 2HG GLU 88 HG1 GLU 88 64.133 9.416 -14.730 645 H ASP 89 HN ASP 89 66.252 5.990 -15.971 646 HA ASP 89 HA ASP 89 69.189 5.501 -15.662 647 1HB ASP 89 HB2 ASP 89 67.006 3.722 -16.778 648 2HB ASP 89 HB1 ASP 89 68.724 3.403 -17.024 649 H ALA 90 HN ALA 90 68.928 7.742 -16.898 650 HA ALA 90 HA ALA 90 68.277 7.500 -19.738 651 1HB ALA 90 HB2 ALA 90 69.052 9.649 -17.870 652 2HB ALA 90 HB1 ALA 90 69.679 9.848 -19.507 653 3HB ALA 90 HB3 ALA 90 67.942 9.695 -19.240 No H/Q in entry = 653 Start of MODEL 18 1 1H ALA 1 HT1 ALA 1 67.723 12.846 13.321 2 2H ALA 1 HT3 ALA 1 68.715 11.482 13.147 3 3H ALA 1 HT2 ALA 1 68.090 11.886 14.673 4 HA ALA 1 HA ALA 1 69.520 13.643 14.974 5 1HB ALA 1 HB1 ALA 1 70.695 11.408 14.854 6 2HB ALA 1 HB3 ALA 1 71.121 11.792 13.186 7 3HB ALA 1 HB2 ALA 1 71.731 12.792 14.503 8 H SER 2 HN SER 2 70.071 12.649 11.569 9 HA SER 2 HA SER 2 70.184 15.563 10.896 10 1HB SER 2 HB2 SER 2 71.501 13.834 8.962 11 2HB SER 2 HB1 SER 2 72.137 15.237 9.816 12 HG SER 2 HG SER 2 73.300 13.568 10.588 13 H MET 3 HN MET 3 68.801 16.230 9.301 14 HA MET 3 HA MET 3 66.974 14.214 8.154 15 1HB MET 3 HB2 MET 3 66.935 17.126 8.615 16 2HB MET 3 HB1 MET 3 66.204 16.626 7.089 17 1HG MET 3 HG2 MET 3 64.532 16.649 8.907 18 2HG MET 3 HG1 MET 3 64.779 15.015 8.291 19 1HE MET 3 HE3 MET 3 63.889 16.760 11.012 20 2HE MET 3 HE2 MET 3 64.816 16.337 12.450 21 3HE MET 3 HE1 MET 3 65.460 17.516 11.309 22 H THR 4 HN THR 4 68.677 13.246 6.771 23 HA THR 4 HA THR 4 69.985 14.786 4.715 24 HB THR 4 HB THR 4 70.065 12.329 3.666 25 HG1 THR 4 HG1 THR 4 69.187 10.916 4.918 26 1HG2 THR 4 HG21 THR 4 71.507 13.326 6.131 27 2HG2 THR 4 HG23 THR 4 71.985 11.868 5.263 28 3HG2 THR 4 HG22 THR 4 72.041 13.433 4.453 29 H ASP 5 HN ASP 5 69.271 15.320 2.678 30 HA ASP 5 HA ASP 5 66.453 15.155 2.090 31 1HB ASP 5 HB2 ASP 5 68.813 15.864 0.319 32 2HB ASP 5 HB1 ASP 5 67.121 16.086 -0.130 33 H GLN 6 HN GLN 6 68.957 12.898 1.785 34 HA GLN 6 HA GLN 6 68.361 11.569 -0.640 35 1HB GLN 6 HB2 GLN 6 69.641 10.847 1.932 36 2HB GLN 6 HB1 GLN 6 69.005 9.491 1.000 37 1HG GLN 6 HG2 GLN 6 70.455 11.466 -0.627 38 2HG GLN 6 HG1 GLN 6 71.459 10.663 0.581 39 1HE2 GLN 6 HE22 GLN 6 71.752 7.847 -1.501 40 2HE2 GLN 6 HE21 GLN 6 72.500 8.947 -0.446 41 H GLN 7 HN GLN 7 67.144 10.710 2.624 42 HA GLN 7 HA GLN 7 65.107 8.957 1.525 43 1HB GLN 7 HB2 GLN 7 64.303 8.811 3.851 44 2HB GLN 7 HB1 GLN 7 66.054 8.613 3.785 45 1HG GLN 7 HG2 GLN 7 66.146 11.177 4.174 46 2HG GLN 7 HG1 GLN 7 64.470 11.010 4.694 47 1HE2 GLN 7 HE22 GLN 7 67.396 9.184 6.946 48 2HE2 GLN 7 HE21 GLN 7 67.675 9.453 5.294 49 H ALA 8 HN ALA 8 65.330 12.347 2.097 50 HA ALA 8 HA ALA 8 62.554 12.932 2.525 51 1HB ALA 8 HB3 ALA 8 64.555 14.503 2.829 52 2HB ALA 8 HB2 ALA 8 64.509 14.730 1.080 53 3HB ALA 8 HB1 ALA 8 63.125 15.202 2.066 54 H GLU 9 HN GLU 9 64.505 12.555 -0.418 55 HA GLU 9 HA GLU 9 62.196 13.200 -2.126 56 1HB GLU 9 HB2 GLU 9 64.961 13.309 -2.462 57 2HB GLU 9 HB1 GLU 9 64.466 11.943 -3.462 58 1HG GLU 9 HG2 GLU 9 62.640 13.463 -4.400 59 2HG GLU 9 HG1 GLU 9 63.478 14.798 -3.608 60 H ALA 10 HN ALA 10 63.994 10.349 -1.061 61 HA ALA 10 HA ALA 10 62.713 8.493 -2.852 62 1HB ALA 10 HB3 ALA 10 64.747 8.366 -0.950 63 2HB ALA 10 HB2 ALA 10 63.472 7.353 -0.274 64 3HB ALA 10 HB1 ALA 10 64.113 7.010 -1.881 65 H ARG 11 HN ARG 11 62.237 8.808 0.686 66 HA ARG 11 HA ARG 11 59.859 7.320 0.843 67 1HB ARG 11 HB2 ARG 11 61.098 8.093 2.826 68 2HB ARG 11 HB1 ARG 11 60.631 9.756 2.476 69 1HG ARG 11 HG2 ARG 11 58.277 9.209 2.781 70 2HG ARG 11 HG1 ARG 11 58.670 7.502 2.995 71 1HD ARG 11 HD2 ARG 11 59.841 7.946 5.049 72 2HD ARG 11 HD1 ARG 11 59.758 9.688 4.785 73 HE ARG 11 HE ARG 11 57.240 8.128 5.135 74 1HH1 ARG 11 HH11 ARG 11 59.453 9.468 7.172 75 2HH1 ARG 11 HH12 ARG 11 58.413 10.681 7.840 76 1HH2 ARG 11 HH21 ARG 11 55.888 10.171 5.516 77 2HH2 ARG 11 HH22 ARG 11 56.394 11.082 6.902 78 H ALA 12 HN ALA 12 60.197 10.850 0.361 79 HA ALA 12 HA ALA 12 57.406 11.402 0.177 80 1HB ALA 12 HB1 ALA 12 59.167 13.145 0.425 81 2HB ALA 12 HB3 ALA 12 59.683 12.831 -1.231 82 3HB ALA 12 HB2 ALA 12 58.077 13.488 -0.919 83 H PHE 13 HN PHE 13 59.685 10.102 -2.152 84 HA PHE 13 HA PHE 13 57.872 10.487 -4.423 85 1HB PHE 13 HB2 PHE 13 60.322 10.473 -4.750 86 2HB PHE 13 HB1 PHE 13 60.387 8.810 -4.166 87 HD1 PHE 13 HD2 PHE 13 59.079 7.019 -5.426 88 HD2 PHE 13 HD1 PHE 13 59.779 10.952 -7.008 89 HE1 PHE 13 HE2 PHE 13 58.557 6.196 -7.706 90 HE2 PHE 13 HE1 PHE 13 59.258 10.128 -9.287 91 HZ PHE 13 HZ PHE 13 58.647 7.749 -9.638 92 H LEU 14 HN LEU 14 58.375 8.109 -1.961 93 HA LEU 14 HA LEU 14 56.950 6.023 -3.510 94 1HB LEU 14 HB2 LEU 14 58.026 5.917 -0.677 95 2HB LEU 14 HB1 LEU 14 57.480 4.549 -1.646 96 HG LEU 14 HG LEU 14 59.736 6.371 -2.510 97 1HD1 LEU 14 HD13 LEU 14 59.871 4.787 -0.291 98 2HD1 LEU 14 HD12 LEU 14 60.357 3.645 -1.544 99 3HD1 LEU 14 HD11 LEU 14 61.253 5.148 -1.327 100 1HD2 LEU 14 HD23 LEU 14 58.365 3.969 -3.563 101 2HD2 LEU 14 HD22 LEU 14 59.257 5.224 -4.425 102 3HD2 LEU 14 HD21 LEU 14 60.127 3.910 -3.633 103 H SER 15 HN SER 15 54.907 5.217 -2.866 104 HA SER 15 HA SER 15 53.258 7.156 -1.386 105 1HB SER 15 HB2 SER 15 52.708 4.707 -3.040 106 2HB SER 15 HB1 SER 15 51.460 5.331 -1.963 107 HG SER 15 HG SER 15 51.938 7.423 -3.022 108 H GLU 16 HN GLU 16 51.859 6.436 0.409 109 HA GLU 16 HA GLU 16 53.285 5.060 2.446 110 1HB GLU 16 HB2 GLU 16 51.573 6.559 3.135 111 2HB GLU 16 HB1 GLU 16 50.373 5.791 2.095 112 1HG GLU 16 HG2 GLU 16 50.027 4.046 3.545 113 2HG GLU 16 HG1 GLU 16 51.682 4.082 4.151 114 H GLU 17 HN GLU 17 51.017 3.925 0.000 115 HA GLU 17 HA GLU 17 50.521 1.342 1.164 116 1HB GLU 17 HB2 GLU 17 49.618 0.737 -0.981 117 2HB GLU 17 HB1 GLU 17 49.196 2.427 -0.708 118 1HG GLU 17 HG2 GLU 17 51.069 3.160 -2.093 119 2HG GLU 17 HG1 GLU 17 51.598 1.490 -2.305 120 H MET 18 HN MET 18 53.058 2.598 -0.955 121 HA MET 18 HA MET 18 54.212 -0.030 -1.463 122 1HB MET 18 HB2 MET 18 55.422 2.733 -1.801 123 2HB MET 18 HB1 MET 18 56.065 1.234 -2.474 124 1HG MET 18 HG2 MET 18 54.003 0.923 -3.782 125 2HG MET 18 HG1 MET 18 53.338 2.407 -3.099 126 1HE MET 18 HE1 MET 18 55.074 0.740 -5.778 127 2HE MET 18 HE3 MET 18 53.715 1.750 -6.290 128 3HE MET 18 HE2 MET 18 55.331 2.060 -6.917 129 H ILE 19 HN ILE 19 55.410 2.805 0.385 130 HA ILE 19 HA ILE 19 57.592 1.567 1.626 131 HB ILE 19 HB ILE 19 55.698 3.677 2.684 132 1HG1 ILE 19 HG12 ILE 19 58.456 4.420 2.117 133 2HG1 ILE 19 HG11 ILE 19 57.677 3.715 0.700 134 1HG2 ILE 19 HG22 ILE 19 58.168 2.438 3.871 135 2HG2 ILE 19 HG21 ILE 19 57.793 4.132 4.189 136 3HG2 ILE 19 HG23 ILE 19 56.655 2.874 4.665 137 1HD1 ILE 19 HD12 ILE 19 55.965 5.600 2.172 138 2HD1 ILE 19 HD11 ILE 19 57.414 6.339 1.491 139 3HD1 ILE 19 HD13 ILE 19 56.284 5.486 0.440 140 H ALA 20 HN ALA 20 54.181 1.173 2.281 141 HA ALA 20 HA ALA 20 54.414 0.021 4.899 142 1HB ALA 20 HB1 ALA 20 52.311 0.779 3.402 143 2HB ALA 20 HB3 ALA 20 52.273 -0.953 3.070 144 3HB ALA 20 HB2 ALA 20 52.154 -0.371 4.731 145 H GLU 21 HN GLU 21 54.374 -1.420 1.639 146 HA GLU 21 HA GLU 21 54.592 -4.138 2.595 147 1HB GLU 21 HB2 GLU 21 54.670 -2.742 -0.004 148 2HB GLU 21 HB1 GLU 21 55.653 -4.206 0.065 149 1HG GLU 21 HG2 GLU 21 53.585 -5.328 1.122 150 2HG GLU 21 HG1 GLU 21 52.687 -3.921 0.549 151 H PHE 22 HN PHE 22 56.982 -1.840 1.249 152 HA PHE 22 HA PHE 22 59.267 -3.460 1.398 153 1HB PHE 22 HB2 PHE 22 59.073 -0.499 2.034 154 2HB PHE 22 HB1 PHE 22 60.552 -1.365 1.617 155 HD1 PHE 22 HD1 PHE 22 59.644 -3.175 -0.515 156 HD2 PHE 22 HD2 PHE 22 58.650 0.938 0.216 157 HE1 PHE 22 HE1 PHE 22 59.144 -2.869 -2.923 158 HE2 PHE 22 HE2 PHE 22 58.150 1.245 -2.193 159 HZ PHE 22 HZ PHE 22 58.399 -0.658 -3.763 160 H LYS 23 HN LYS 23 57.575 -1.757 3.989 161 HA LYS 23 HA LYS 23 59.597 -2.115 5.998 162 1HB LYS 23 HB2 LYS 23 57.753 -0.528 6.308 163 2HB LYS 23 HB1 LYS 23 56.587 -1.852 6.278 164 1HG LYS 23 HG2 LYS 23 57.233 -1.049 8.596 165 2HG LYS 23 HG1 LYS 23 57.461 -2.776 8.316 166 1HD LYS 23 HD2 LYS 23 59.798 -2.565 8.129 167 2HD LYS 23 HD1 LYS 23 59.708 -0.830 7.817 168 1HE LYS 23 HE2 LYS 23 60.421 -1.704 10.203 169 2HE LYS 23 HE1 LYS 23 59.353 -0.308 10.058 170 1HZ LYS 23 HZ2 LYS 23 58.403 -3.103 10.367 171 2HZ LYS 23 HZ1 LYS 23 58.574 -2.010 11.655 172 3HZ LYS 23 HZ3 LYS 23 57.461 -1.689 10.415 173 H ALA 24 HN ALA 24 56.776 -4.072 5.048 174 HA ALA 24 HA ALA 24 56.909 -6.052 7.038 175 1HB ALA 24 HB1 ALA 24 55.656 -5.741 4.488 176 2HB ALA 24 HB3 ALA 24 56.398 -7.339 4.535 177 3HB ALA 24 HB2 ALA 24 55.234 -6.870 5.775 178 H ALA 25 HN ALA 25 58.710 -5.873 3.962 179 HA ALA 25 HA ALA 25 60.158 -8.331 4.404 180 1HB ALA 25 HB2 ALA 25 59.840 -7.114 2.180 181 2HB ALA 25 HB1 ALA 25 61.088 -5.993 2.724 182 3HB ALA 25 HB3 ALA 25 61.470 -7.701 2.507 183 H PHE 26 HN PHE 26 60.629 -5.006 5.400 184 HA PHE 26 HA PHE 26 63.362 -4.950 5.998 185 1HB PHE 26 HB2 PHE 26 61.653 -3.089 6.334 186 2HB PHE 26 HB1 PHE 26 61.224 -3.877 7.853 187 HD1 PHE 26 HD1 PHE 26 64.219 -2.659 5.960 188 HD2 PHE 26 HD2 PHE 26 62.409 -3.338 9.793 189 HE1 PHE 26 HE1 PHE 26 66.159 -1.578 7.068 190 HE2 PHE 26 HE2 PHE 26 64.346 -2.260 10.902 191 HZ PHE 26 HZ PHE 26 66.221 -1.379 9.539 192 H ASP 27 HN ASP 27 60.865 -5.708 8.450 193 HA ASP 27 HA ASP 27 62.558 -6.790 10.391 194 1HB ASP 27 HB2 ASP 27 59.760 -7.695 9.646 195 2HB ASP 27 HB1 ASP 27 60.585 -8.115 11.148 196 H MET 28 HN MET 28 61.593 -8.166 7.339 197 HA MET 28 HA MET 28 62.104 -10.918 7.870 198 1HB MET 28 HB2 MET 28 61.399 -9.396 5.638 199 2HB MET 28 HB1 MET 28 62.965 -10.088 5.209 200 1HG MET 28 HG2 MET 28 60.558 -11.632 6.220 201 2HG MET 28 HG1 MET 28 61.150 -11.613 4.559 202 1HE MET 28 HE1 MET 28 63.490 -12.028 3.938 203 2HE MET 28 HE3 MET 28 64.481 -11.552 5.323 204 3HE MET 28 HE2 MET 28 64.580 -13.193 4.687 205 H PHE 29 HN PHE 29 64.294 -8.361 6.649 206 HA PHE 29 HA PHE 29 66.580 -10.211 7.103 207 1HB PHE 29 HB2 PHE 29 67.517 -7.706 6.139 208 2HB PHE 29 HB1 PHE 29 67.445 -9.235 5.268 209 HD1 PHE 29 HD1 PHE 29 65.286 -9.851 4.057 210 HD2 PHE 29 HD2 PHE 29 66.067 -5.915 5.591 211 HE1 PHE 29 HE1 PHE 29 63.514 -8.928 2.589 212 HE2 PHE 29 HE2 PHE 29 64.295 -4.991 4.122 213 HZ PHE 29 HZ PHE 29 63.018 -6.498 2.621 214 H ASP 30 HN ASP 30 64.961 -8.722 9.212 215 HA ASP 30 HA ASP 30 67.206 -7.150 10.405 216 1HB ASP 30 HB2 ASP 30 64.892 -6.069 10.016 217 2HB ASP 30 HB1 ASP 30 64.338 -7.086 11.345 218 H ALA 31 HN ALA 31 67.116 -10.040 10.474 219 HA ALA 31 HA ALA 31 66.014 -11.105 12.858 220 1HB ALA 31 HB2 ALA 31 68.055 -11.895 10.904 221 2HB ALA 31 HB1 ALA 31 68.378 -12.503 12.527 222 3HB ALA 31 HB3 ALA 31 66.852 -12.884 11.730 223 H ASP 32 HN ASP 32 68.587 -8.877 12.429 224 HA ASP 32 HA ASP 32 70.094 -9.525 14.812 225 1HB ASP 32 HB2 ASP 32 69.980 -7.255 12.879 226 2HB ASP 32 HB1 ASP 32 70.680 -6.929 14.463 227 H GLY 33 HN GLY 33 67.368 -7.369 14.112 228 1HA GLY 33 HA2 GLY 33 65.739 -6.609 15.664 229 2HA GLY 33 HA1 GLY 33 66.690 -7.325 16.967 230 H GLY 34 HN GLY 34 68.437 -5.345 14.761 231 1HA GLY 34 HA2 GLY 34 68.769 -3.321 16.904 232 2HA GLY 34 HA1 GLY 34 69.809 -3.501 15.492 233 H GLY 35 HN GLY 35 66.927 -3.779 14.112 234 1HA GLY 35 HA2 GLY 35 65.301 -2.232 13.287 235 2HA GLY 35 HA1 GLY 35 66.149 -0.932 14.125 236 H ASP 36 HN ASP 36 68.294 -2.922 12.429 237 HA ASP 36 HA ASP 36 68.062 -1.514 9.863 238 1HB ASP 36 HB2 ASP 36 70.621 -0.875 10.206 239 2HB ASP 36 HB1 ASP 36 69.338 0.205 10.752 240 H ILE 37 HN ILE 37 69.017 -2.719 8.224 241 HA ILE 37 HA ILE 37 70.317 -5.253 9.101 242 HB ILE 37 HB ILE 37 69.456 -6.285 7.199 243 1HG1 ILE 37 HG12 ILE 37 69.184 -3.558 5.889 244 2HG1 ILE 37 HG11 ILE 37 70.506 -4.688 5.596 245 1HG2 ILE 37 HG23 ILE 37 67.702 -4.640 8.626 246 2HG2 ILE 37 HG22 ILE 37 67.302 -4.349 6.932 247 3HG2 ILE 37 HG21 ILE 37 67.255 -5.988 7.580 248 1HD1 ILE 37 HD12 ILE 37 68.698 -6.396 4.968 249 2HD1 ILE 37 HD11 ILE 37 67.581 -5.032 4.924 250 3HD1 ILE 37 HD13 ILE 37 68.963 -5.077 3.830 251 H SER 38 HN SER 38 72.458 -5.589 8.631 252 HA SER 38 HA SER 38 74.152 -3.526 7.718 253 1HB SER 38 HB2 SER 38 74.497 -6.534 7.654 254 2HB SER 38 HB1 SER 38 75.780 -5.416 7.197 255 HG SER 38 HG SER 38 75.261 -6.233 9.583 256 H THR 39 HN THR 39 75.295 -3.372 5.602 257 HA THR 39 HA THR 39 73.421 -3.598 3.412 258 HB THR 39 HB THR 39 75.071 -2.562 2.072 259 HG1 THR 39 HG1 THR 39 77.044 -3.106 4.009 260 1HG2 THR 39 HG21 THR 39 74.873 -1.702 4.893 261 2HG2 THR 39 HG23 THR 39 76.223 -1.013 3.992 262 3HG2 THR 39 HG22 THR 39 74.571 -0.793 3.413 263 H LYS 40 HN LYS 40 75.300 -5.903 4.902 264 HA LYS 40 HA LYS 40 76.256 -7.386 2.618 265 1HB LYS 40 HB2 LYS 40 76.671 -9.173 4.169 266 2HB LYS 40 HB1 LYS 40 77.011 -7.675 5.036 267 1HG LYS 40 HG2 LYS 40 74.568 -7.777 5.834 268 2HG LYS 40 HG1 LYS 40 74.575 -9.445 5.259 269 1HD LYS 40 HD2 LYS 40 76.406 -8.239 7.351 270 2HD LYS 40 HD1 LYS 40 75.156 -9.455 7.613 271 1HE LYS 40 HE2 LYS 40 76.710 -11.038 7.235 272 2HE LYS 40 HE1 LYS 40 76.782 -10.487 5.561 273 1HZ LYS 40 HZ3 LYS 40 78.248 -8.863 7.454 274 2HZ LYS 40 HZ2 LYS 40 78.853 -10.438 7.250 275 3HZ LYS 40 HZ1 LYS 40 78.698 -9.404 5.910 276 H ALA 41 HN ALA 41 73.268 -7.437 4.529 277 HA ALA 41 HA ALA 41 72.152 -9.590 2.843 278 1HB ALA 41 HB1 ALA 41 71.285 -8.144 5.325 279 2HB ALA 41 HB3 ALA 41 70.064 -8.953 4.342 280 3HB ALA 41 HB2 ALA 41 71.400 -9.879 5.027 281 H LEU 42 HN LEU 42 72.487 -6.266 2.619 282 HA LEU 42 HA LEU 42 69.933 -5.439 1.651 283 1HB LEU 42 HB2 LEU 42 72.685 -4.402 1.623 284 2HB LEU 42 HB1 LEU 42 71.758 -3.939 0.198 285 HG LEU 42 HG LEU 42 71.386 -2.227 1.831 286 1HD1 LEU 42 HD11 LEU 42 69.295 -3.863 0.870 287 2HD1 LEU 42 HD13 LEU 42 68.892 -3.491 2.549 288 3HD1 LEU 42 HD12 LEU 42 69.185 -2.183 1.398 289 1HD2 LEU 42 HD22 LEU 42 71.450 -4.513 3.669 290 2HD2 LEU 42 HD21 LEU 42 71.831 -2.817 3.968 291 3HD2 LEU 42 HD23 LEU 42 70.159 -3.366 4.028 292 H GLY 43 HN GLY 43 72.524 -7.261 0.180 293 1HA GLY 43 HA2 GLY 43 71.511 -6.930 -2.545 294 2HA GLY 43 HA1 GLY 43 72.803 -8.024 -2.046 295 H THR 44 HN THR 44 70.858 -8.999 0.141 296 HA THR 44 HA THR 44 69.816 -11.236 -1.389 297 HB THR 44 HB THR 44 69.516 -10.373 1.496 298 HG1 THR 44 HG1 THR 44 71.429 -11.504 0.296 299 1HG2 THR 44 HG21 THR 44 68.262 -12.679 0.006 300 2HG2 THR 44 HG23 THR 44 68.548 -12.745 1.745 301 3HG2 THR 44 HG22 THR 44 67.479 -11.512 1.073 302 H VAL 45 HN VAL 45 68.286 -8.569 0.434 303 HA VAL 45 HA VAL 45 65.609 -9.192 -0.303 304 HB VAL 45 HB VAL 45 66.641 -6.384 0.126 305 1HG1 VAL 45 HG12 VAL 45 64.241 -6.782 -0.499 306 2HG1 VAL 45 HG11 VAL 45 64.071 -7.760 0.959 307 3HG1 VAL 45 HG13 VAL 45 64.437 -6.040 1.089 308 1HG2 VAL 45 HG23 VAL 45 66.324 -8.664 2.068 309 2HG2 VAL 45 HG22 VAL 45 67.634 -7.488 1.949 310 3HG2 VAL 45 HG21 VAL 45 66.069 -7.003 2.601 311 H MET 46 HN MET 46 68.186 -7.568 -2.026 312 HA MET 46 HA MET 46 66.686 -6.170 -3.979 313 1HB MET 46 HB2 MET 46 69.427 -7.289 -3.796 314 2HB MET 46 HB1 MET 46 68.826 -6.989 -5.427 315 1HG MET 46 HG2 MET 46 68.144 -4.779 -3.690 316 2HG MET 46 HG1 MET 46 69.881 -5.086 -3.634 317 1HE MET 46 HE2 MET 46 70.257 -3.059 -4.220 318 2HE MET 46 HE1 MET 46 71.103 -3.043 -5.766 319 3HE MET 46 HE3 MET 46 69.610 -2.116 -5.560 320 H ARG 47 HN ARG 47 68.068 -9.471 -4.271 321 HA ARG 47 HA ARG 47 66.513 -9.989 -6.682 322 1HB ARG 47 HB2 ARG 47 67.931 -12.037 -4.968 323 2HB ARG 47 HB1 ARG 47 67.561 -12.139 -6.689 324 1HG ARG 47 HG2 ARG 47 69.326 -10.815 -7.286 325 2HG ARG 47 HG1 ARG 47 69.176 -9.794 -5.855 326 1HD ARG 47 HD2 ARG 47 71.243 -11.372 -6.046 327 2HD ARG 47 HD1 ARG 47 70.388 -11.285 -4.506 328 HE ARG 47 HE ARG 47 69.415 -13.392 -6.295 329 1HH1 ARG 47 HH11 ARG 47 69.761 -13.046 -3.159 330 2HH1 ARG 47 HH12 ARG 47 70.816 -14.385 -2.857 331 1HH2 ARG 47 HH21 ARG 47 71.584 -14.879 -6.201 332 2HH2 ARG 47 HH22 ARG 47 71.849 -15.423 -4.579 333 H MET 48 HN MET 48 65.878 -10.206 -3.319 334 HA MET 48 HA MET 48 64.012 -12.417 -3.426 335 1HB MET 48 HB2 MET 48 64.453 -12.172 -1.218 336 2HB MET 48 HB1 MET 48 65.007 -10.517 -1.437 337 1HG MET 48 HG2 MET 48 62.725 -9.686 -1.356 338 2HG MET 48 HG1 MET 48 62.087 -11.329 -1.318 339 1HE MET 48 HE3 MET 48 63.109 -13.037 0.211 340 2HE MET 48 HE2 MET 48 64.674 -12.483 0.799 341 3HE MET 48 HE1 MET 48 63.367 -12.786 1.942 342 H LEU 49 HN LEU 49 63.701 -8.883 -3.668 343 HA LEU 49 HA LEU 49 60.787 -9.054 -3.949 344 1HB LEU 49 HB2 LEU 49 62.491 -6.651 -4.614 345 2HB LEU 49 HB1 LEU 49 60.815 -6.685 -4.068 346 HG LEU 49 HG LEU 49 63.119 -7.675 -2.374 347 1HD1 LEU 49 HD12 LEU 49 62.399 -4.977 -3.054 348 2HD1 LEU 49 HD11 LEU 49 62.035 -5.260 -1.353 349 3HD1 LEU 49 HD13 LEU 49 63.666 -5.534 -1.962 350 1HD2 LEU 49 HD22 LEU 49 60.764 -8.473 -1.906 351 2HD2 LEU 49 HD21 LEU 49 61.515 -7.592 -0.575 352 3HD2 LEU 49 HD23 LEU 49 60.327 -6.793 -1.603 353 H GLY 50 HN GLY 50 63.282 -7.668 -6.125 354 1HA GLY 50 HA2 GLY 50 62.455 -9.258 -8.383 355 2HA GLY 50 HA1 GLY 50 61.728 -7.653 -8.461 356 H GLN 51 HN GLN 51 63.852 -6.152 -7.337 357 HA GLN 51 HA GLN 51 65.466 -5.634 -9.595 358 1HB GLN 51 HB2 GLN 51 65.523 -4.892 -6.726 359 2HB GLN 51 HB1 GLN 51 67.065 -4.763 -7.573 360 1HG GLN 51 HG2 GLN 51 65.992 -2.646 -7.855 361 2HG GLN 51 HG1 GLN 51 65.804 -3.489 -9.393 362 1HE2 GLN 51 HE22 GLN 51 62.515 -2.266 -7.523 363 2HE2 GLN 51 HE21 GLN 51 64.073 -1.665 -7.214 364 H ASN 52 HN ASN 52 67.359 -6.525 -10.350 365 HA ASN 52 HA ASN 52 68.887 -8.356 -8.585 366 1HB ASN 52 HB2 ASN 52 68.975 -9.985 -10.593 367 2HB ASN 52 HB1 ASN 52 67.496 -9.961 -9.632 368 1HD2 ASN 52 HD22 ASN 52 67.361 -8.873 -13.528 369 2HD2 ASN 52 HD21 ASN 52 68.795 -9.424 -12.805 370 HA PRO 53 HA PRO 53 71.382 -5.682 -11.481 371 1HB PRO 53 HB2 PRO 53 72.500 -4.089 -9.539 372 2HB PRO 53 HB1 PRO 53 70.993 -3.691 -10.384 373 1HG PRO 53 HG2 PRO 53 71.379 -4.687 -7.600 374 2HG PRO 53 HG1 PRO 53 70.061 -3.712 -8.271 375 1HD PRO 53 HD2 PRO 53 69.964 -6.493 -7.738 376 2HD PRO 53 HD1 PRO 53 68.791 -5.571 -8.702 377 H THR 54 HN THR 54 73.814 -5.568 -11.473 378 HA THR 54 HA THR 54 74.952 -8.003 -10.345 379 HB THR 54 HB THR 54 75.686 -7.228 -12.546 380 HG1 THR 54 HG1 THR 54 77.860 -7.409 -12.168 381 1HG2 THR 54 HG21 THR 54 76.599 -4.769 -11.029 382 2HG2 THR 54 HG23 THR 54 77.032 -5.125 -12.701 383 3HG2 THR 54 HG22 THR 54 75.348 -4.838 -12.268 384 H LYS 55 HN LYS 55 76.584 -8.108 -8.730 385 HA LYS 55 HA LYS 55 76.345 -6.378 -6.517 386 1HB LYS 55 HB2 LYS 55 77.359 -8.527 -6.193 387 2HB LYS 55 HB1 LYS 55 78.612 -8.186 -7.388 388 1HG LYS 55 HG2 LYS 55 79.589 -6.482 -5.968 389 2HG LYS 55 HG1 LYS 55 78.257 -6.618 -4.819 390 1HD LYS 55 HD2 LYS 55 78.987 -9.160 -4.757 391 2HD LYS 55 HD1 LYS 55 80.528 -8.509 -5.318 392 1HE LYS 55 HE2 LYS 55 79.075 -7.368 -2.926 393 2HE LYS 55 HE1 LYS 55 80.237 -8.685 -2.779 394 1HZ LYS 55 HZ3 LYS 55 81.328 -6.660 -4.394 395 2HZ LYS 55 HZ2 LYS 55 80.761 -5.960 -2.954 396 3HZ LYS 55 HZ1 LYS 55 81.884 -7.235 -2.898 397 H GLU 56 HN GLU 56 78.067 -5.930 -9.474 398 HA GLU 56 HA GLU 56 80.129 -4.161 -8.647 399 1HB GLU 56 HB2 GLU 56 78.642 -4.663 -11.182 400 2HB GLU 56 HB1 GLU 56 79.543 -3.150 -11.065 401 1HG GLU 56 HG2 GLU 56 81.365 -4.350 -11.651 402 2HG GLU 56 HG1 GLU 56 81.304 -5.034 -10.026 403 H GLU 57 HN GLU 57 76.726 -3.509 -9.473 404 HA GLU 57 HA GLU 57 77.091 -0.643 -8.861 405 1HB GLU 57 HB2 GLU 57 75.589 -1.640 -10.728 406 2HB GLU 57 HB1 GLU 57 74.455 -1.994 -9.423 407 1HG GLU 57 HG2 GLU 57 74.162 0.283 -8.893 408 2HG GLU 57 HG1 GLU 57 75.640 0.760 -9.731 409 H LEU 58 HN LEU 58 75.731 -3.537 -7.393 410 HA LEU 58 HA LEU 58 74.139 -2.311 -5.382 411 1HB LEU 58 HB2 LEU 58 74.098 -4.735 -5.829 412 2HB LEU 58 HB1 LEU 58 75.746 -4.879 -5.218 413 HG LEU 58 HG LEU 58 74.680 -3.652 -3.102 414 1HD1 LEU 58 HD11 LEU 58 72.368 -5.083 -4.445 415 2HD1 LEU 58 HD13 LEU 58 72.372 -4.614 -2.745 416 3HD1 LEU 58 HD12 LEU 58 72.453 -3.377 -4.001 417 1HD2 LEU 58 HD22 LEU 58 74.825 -6.525 -3.913 418 2HD2 LEU 58 HD21 LEU 58 75.660 -5.685 -2.607 419 3HD2 LEU 58 HD23 LEU 58 73.968 -6.145 -2.419 420 H ASP 59 HN ASP 59 77.600 -3.215 -5.327 421 HA ASP 59 HA ASP 59 78.106 -2.389 -2.651 422 1HB ASP 59 HB2 ASP 59 79.713 -3.713 -3.971 423 2HB ASP 59 HB1 ASP 59 79.979 -2.332 -5.035 424 H ALA 60 HN ALA 60 78.424 -0.565 -5.712 425 HA ALA 60 HA ALA 60 79.297 1.874 -4.500 426 1HB ALA 60 HB2 ALA 60 79.166 1.117 -7.033 427 2HB ALA 60 HB1 ALA 60 77.590 1.906 -6.964 428 3HB ALA 60 HB3 ALA 60 79.052 2.825 -6.607 429 H ILE 61 HN ILE 61 76.171 0.382 -4.758 430 HA ILE 61 HA ILE 61 74.636 2.807 -4.274 431 HB ILE 61 HB ILE 61 74.012 -0.148 -4.191 432 1HG1 ILE 61 HG12 ILE 61 72.890 2.106 -5.880 433 2HG1 ILE 61 HG11 ILE 61 74.252 1.098 -6.374 434 1HG2 ILE 61 HG22 ILE 61 72.309 2.192 -3.330 435 2HG2 ILE 61 HG21 ILE 61 71.586 0.701 -3.938 436 3HG2 ILE 61 HG23 ILE 61 72.587 0.667 -2.486 437 1HD1 ILE 61 HD11 ILE 61 72.434 -0.801 -5.624 438 2HD1 ILE 61 HD13 ILE 61 71.375 0.451 -6.271 439 3HD1 ILE 61 HD12 ILE 61 72.647 -0.234 -7.280 440 H ILE 62 HN ILE 62 75.769 0.092 -2.272 441 HA ILE 62 HA ILE 62 74.561 0.812 0.172 442 HB ILE 62 HB ILE 62 77.249 -0.471 -0.385 443 1HG1 ILE 62 HG12 ILE 62 74.608 -1.663 0.513 444 2HG1 ILE 62 HG11 ILE 62 75.156 -1.639 -1.162 445 1HG2 ILE 62 HG23 ILE 62 75.742 0.020 2.183 446 2HG2 ILE 62 HG22 ILE 62 76.875 -1.325 2.027 447 3HG2 ILE 62 HG21 ILE 62 77.442 0.333 1.832 448 1HD1 ILE 62 HD11 ILE 62 76.852 -2.812 1.045 449 2HD1 ILE 62 HD13 ILE 62 75.655 -3.774 0.177 450 3HD1 ILE 62 HD12 ILE 62 77.007 -3.052 -0.694 451 H GLU 63 HN GLU 63 77.609 1.951 -1.271 452 HA GLU 63 HA GLU 63 78.403 3.564 0.968 453 1HB GLU 63 HB2 GLU 63 80.055 2.995 -0.687 454 2HB GLU 63 HB1 GLU 63 79.085 3.702 -1.979 455 1HG GLU 63 HG2 GLU 63 79.317 5.932 -0.899 456 2HG GLU 63 HG1 GLU 63 80.354 5.206 0.330 457 H GLU 64 HN GLU 64 76.583 4.324 -2.004 458 HA GLU 64 HA GLU 64 76.262 7.121 -1.299 459 1HB GLU 64 HB2 GLU 64 75.403 5.325 -3.468 460 2HB GLU 64 HB1 GLU 64 74.239 6.592 -3.079 461 1HG GLU 64 HG2 GLU 64 77.123 7.350 -3.303 462 2HG GLU 64 HG1 GLU 64 76.227 7.040 -4.791 463 H VAL 65 HN VAL 65 74.785 4.257 -0.203 464 HA VAL 65 HA VAL 65 72.215 5.562 0.440 465 HB VAL 65 HB VAL 65 73.267 2.797 1.110 466 1HG1 VAL 65 HG13 VAL 65 71.047 4.288 2.136 467 2HG1 VAL 65 HG12 VAL 65 70.421 2.985 1.125 468 3HG1 VAL 65 HG11 VAL 65 71.490 2.616 2.479 469 1HG2 VAL 65 HG23 VAL 65 72.616 3.712 -1.353 470 2HG2 VAL 65 HG22 VAL 65 72.308 2.053 -0.836 471 3HG2 VAL 65 HG21 VAL 65 71.014 3.250 -0.775 472 H ASP 66 HN ASP 66 75.156 4.456 2.084 473 HA ASP 66 HA ASP 66 74.103 5.208 4.719 474 1HB ASP 66 HB2 ASP 66 76.291 3.649 3.721 475 2HB ASP 66 HB1 ASP 66 76.933 4.899 4.787 476 H GLU 67 HN GLU 67 73.648 7.482 3.966 477 HA GLU 67 HA GLU 67 75.782 9.272 3.270 478 1HB GLU 67 HB2 GLU 67 72.970 9.591 4.265 479 2HB GLU 67 HB1 GLU 67 74.039 10.994 4.269 480 1HG GLU 67 HG2 GLU 67 74.409 9.698 1.773 481 2HG GLU 67 HG1 GLU 67 72.668 9.792 2.042 482 H ASP 68 HN ASP 68 74.881 7.814 6.241 483 HA ASP 68 HA ASP 68 76.323 9.894 7.811 484 1HB ASP 68 HB2 ASP 68 75.486 8.385 9.759 485 2HB ASP 68 HB1 ASP 68 74.300 9.372 8.903 486 H GLY 69 HN GLY 69 76.792 6.843 6.365 487 1HA GLY 69 HA2 GLY 69 78.590 5.338 6.451 488 2HA GLY 69 HA1 GLY 69 79.518 6.657 7.168 489 H SER 70 HN SER 70 76.597 5.086 8.454 490 HA SER 70 HA SER 70 77.890 4.778 11.055 491 1HB SER 70 HB2 SER 70 75.683 3.606 11.606 492 2HB SER 70 HB1 SER 70 75.560 5.293 11.114 493 HG SER 70 HG SER 70 74.819 2.959 9.781 494 H GLY 71 HN GLY 71 77.764 2.933 8.208 495 1HA GLY 71 HA2 GLY 71 78.931 0.878 7.860 496 2HA GLY 71 HA1 GLY 71 79.014 0.659 9.610 497 H THR 72 HN THR 72 75.921 1.542 8.434 498 HA THR 72 HA THR 72 75.002 -1.200 7.959 499 HB THR 72 HB THR 72 73.234 -0.495 9.961 500 HG1 THR 72 HG1 THR 72 74.929 -0.123 11.680 501 1HG2 THR 72 HG23 THR 72 75.728 -2.207 10.015 502 2HG2 THR 72 HG22 THR 72 74.532 -2.206 11.309 503 3HG2 THR 72 HG21 THR 72 74.074 -2.727 9.687 504 H ILE 73 HN ILE 73 72.530 -1.164 7.632 505 HA ILE 73 HA ILE 73 71.764 1.476 6.445 506 HB ILE 73 HB ILE 73 70.922 -1.317 5.611 507 1HG1 ILE 73 HG12 ILE 73 73.303 -0.533 5.076 508 2HG1 ILE 73 HG11 ILE 73 72.316 -1.007 3.694 509 1HG2 ILE 73 HG22 ILE 73 70.011 1.431 4.889 510 2HG2 ILE 73 HG21 ILE 73 70.150 0.255 3.582 511 3HG2 ILE 73 HG23 ILE 73 69.096 -0.075 4.957 512 1HD1 ILE 73 HD12 ILE 73 71.891 1.788 4.300 513 2HD1 ILE 73 HD11 ILE 73 73.613 1.467 4.086 514 3HD1 ILE 73 HD13 ILE 73 72.473 1.055 2.804 515 H ASP 74 HN ASP 74 69.721 2.285 6.954 516 HA ASP 74 HA ASP 74 68.166 0.698 8.959 517 1HB ASP 74 HB2 ASP 74 68.163 3.712 8.689 518 2HB ASP 74 HB1 ASP 74 67.542 2.745 10.029 519 H PHE 75 HN PHE 75 65.769 1.325 8.944 520 HA PHE 75 HA PHE 75 64.595 0.797 6.447 521 1HB PHE 75 HB2 PHE 75 63.535 0.787 8.813 522 2HB PHE 75 HB1 PHE 75 63.214 2.498 8.520 523 HD1 PHE 75 HD2 PHE 75 63.071 -0.627 6.444 524 HD2 PHE 75 HD1 PHE 75 61.031 2.891 7.821 525 HE1 PHE 75 HE2 PHE 75 61.096 -1.235 5.071 526 HE2 PHE 75 HE1 PHE 75 59.055 2.285 6.449 527 HZ PHE 75 HZ PHE 75 59.088 0.222 5.073 528 H GLU 76 HN GLU 76 65.076 3.973 8.016 529 HA GLU 76 HA GLU 76 63.865 5.577 6.037 530 1HB GLU 76 HB2 GLU 76 65.283 7.399 6.868 531 2HB GLU 76 HB1 GLU 76 64.692 6.432 8.220 532 1HG GLU 76 HG2 GLU 76 66.812 5.202 8.299 533 2HG GLU 76 HG1 GLU 76 67.407 6.108 6.908 534 H GLU 77 HN GLU 77 67.046 4.049 6.072 535 HA GLU 77 HA GLU 77 67.885 5.453 3.630 536 1HB GLU 77 HB2 GLU 77 69.152 3.158 5.158 537 2HB GLU 77 HB1 GLU 77 69.899 4.007 3.803 538 1HG GLU 77 HG2 GLU 77 69.664 6.147 5.102 539 2HG GLU 77 HG1 GLU 77 69.112 5.193 6.479 540 H PHE 78 HN PHE 78 66.250 2.515 4.474 541 HA PHE 78 HA PHE 78 66.859 0.889 2.235 542 1HB PHE 78 HB2 PHE 78 65.213 0.659 4.418 543 2HB PHE 78 HB1 PHE 78 64.043 0.832 3.109 544 HD1 PHE 78 HD1 PHE 78 66.767 -1.223 4.480 545 HD2 PHE 78 HD2 PHE 78 63.891 -0.815 1.319 546 HE1 PHE 78 HE1 PHE 78 67.176 -3.578 3.805 547 HE2 PHE 78 HE2 PHE 78 64.299 -3.167 0.641 548 HZ PHE 78 HZ PHE 78 65.942 -4.548 1.883 549 H LEU 79 HN LEU 79 64.106 3.134 2.658 550 HA LEU 79 HA LEU 79 62.977 2.911 0.107 551 1HB LEU 79 HB2 LEU 79 63.294 5.513 1.634 552 2HB LEU 79 HB1 LEU 79 62.043 5.122 0.455 553 HG LEU 79 HG LEU 79 62.451 3.799 3.152 554 1HD1 LEU 79 HD12 LEU 79 60.410 5.703 2.005 555 2HD1 LEU 79 HD11 LEU 79 60.044 4.687 3.400 556 3HD1 LEU 79 HD13 LEU 79 61.350 5.867 3.488 557 1HD2 LEU 79 HD22 LEU 79 60.966 3.004 0.713 558 2HD2 LEU 79 HD21 LEU 79 61.567 2.007 2.039 559 3HD2 LEU 79 HD23 LEU 79 60.055 2.900 2.221 560 H VAL 80 HN VAL 80 65.940 4.522 1.068 561 HA VAL 80 HA VAL 80 66.260 6.084 -1.341 562 HB VAL 80 HB VAL 80 68.251 5.089 0.714 563 1HG1 VAL 80 HG13 VAL 80 68.593 6.655 -1.819 564 2HG1 VAL 80 HG12 VAL 80 69.582 7.081 -0.421 565 3HG1 VAL 80 HG11 VAL 80 69.661 5.453 -1.094 566 1HG2 VAL 80 HG23 VAL 80 66.441 7.383 0.457 567 2HG2 VAL 80 HG22 VAL 80 67.275 6.768 1.883 568 3HG2 VAL 80 HG21 VAL 80 68.110 7.856 0.774 569 H MET 81 HN MET 81 67.363 2.857 -0.341 570 HA MET 81 HA MET 81 69.023 2.294 -2.566 571 1HB MET 81 HB2 MET 81 67.292 0.446 -0.900 572 2HB MET 81 HB1 MET 81 68.500 -0.112 -2.058 573 1HG MET 81 HG2 MET 81 69.949 1.701 -0.608 574 2HG MET 81 HG1 MET 81 68.868 1.053 0.627 575 1HE MET 81 HE1 MET 81 71.545 1.116 0.834 576 2HE MET 81 HE3 MET 81 72.038 -0.479 1.419 577 3HE MET 81 HE2 MET 81 72.601 0.102 -0.146 578 H MET 82 HN MET 82 65.512 1.846 -2.159 579 HA MET 82 HA MET 82 65.074 0.559 -4.678 580 1HB MET 82 HB2 MET 82 63.392 1.938 -2.646 581 2HB MET 82 HB1 MET 82 62.707 1.768 -4.263 582 1HG MET 82 HG2 MET 82 62.082 -0.180 -2.965 583 2HG MET 82 HG1 MET 82 63.265 -0.675 -4.176 584 1HE MET 82 HE2 MET 82 65.423 -1.352 -3.924 585 2HE MET 82 HE1 MET 82 66.085 -2.094 -2.468 586 3HE MET 82 HE3 MET 82 64.600 -2.727 -3.190 587 H VAL 83 HN VAL 83 63.872 3.824 -3.931 588 HA VAL 83 HA VAL 83 63.654 4.683 -6.597 589 HB VAL 83 HB VAL 83 64.398 6.500 -4.297 590 1HG1 VAL 83 HG12 VAL 83 63.087 6.793 -6.978 591 2HG1 VAL 83 HG11 VAL 83 62.584 7.861 -5.667 592 3HG1 VAL 83 HG13 VAL 83 64.268 7.839 -6.191 593 1HG2 VAL 83 HG22 VAL 83 62.008 4.821 -4.753 594 2HG2 VAL 83 HG21 VAL 83 62.589 5.570 -3.266 595 3HG2 VAL 83 HG23 VAL 83 61.659 6.519 -4.426 596 H ARG 84 HN ARG 84 66.524 4.196 -4.764 597 HA ARG 84 HA ARG 84 68.299 6.100 -5.800 598 1HB ARG 84 HB2 ARG 84 68.501 3.547 -4.494 599 2HB ARG 84 HB1 ARG 84 69.677 3.616 -5.807 600 1HG ARG 84 HG2 ARG 84 69.895 6.129 -4.684 601 2HG ARG 84 HG1 ARG 84 69.616 5.105 -3.276 602 1HD ARG 84 HD2 ARG 84 71.968 5.071 -3.565 603 2HD ARG 84 HD1 ARG 84 71.418 3.552 -4.274 604 HE ARG 84 HE ARG 84 72.375 4.339 -6.268 605 1HH1 ARG 84 HH11 ARG 84 70.530 6.086 -7.354 606 2HH1 ARG 84 HH12 ARG 84 71.201 7.677 -7.207 607 1HH2 ARG 84 HH21 ARG 84 73.516 6.761 -4.792 608 2HH2 ARG 84 HH22 ARG 84 72.892 8.058 -5.755 609 H GLN 85 HN GLN 85 67.666 2.857 -7.219 610 HA GLN 85 HA GLN 85 68.773 3.911 -9.780 611 1HB GLN 85 HB2 GLN 85 68.738 1.267 -8.461 612 2HB GLN 85 HB1 GLN 85 68.445 1.235 -10.199 613 1HG GLN 85 HG2 GLN 85 70.601 3.068 -9.531 614 2HG GLN 85 HG1 GLN 85 70.937 1.441 -8.939 615 1HE2 GLN 85 HE22 GLN 85 71.520 2.126 -12.791 616 2HE2 GLN 85 HE21 GLN 85 71.516 3.310 -11.575 617 H MET 86 HN MET 86 65.829 2.853 -8.283 618 HA MET 86 HA MET 86 64.428 2.035 -10.641 619 1HB MET 86 HB2 MET 86 62.715 1.685 -9.200 620 2HB MET 86 HB1 MET 86 63.844 2.147 -7.933 621 1HG MET 86 HG2 MET 86 63.100 4.566 -8.363 622 2HG MET 86 HG1 MET 86 61.782 3.879 -9.311 623 1HE MET 86 HE3 MET 86 60.644 1.583 -8.286 624 2HE MET 86 HE2 MET 86 59.576 2.011 -6.952 625 3HE MET 86 HE1 MET 86 59.635 3.033 -8.386 626 H LYS 87 HN LYS 87 65.597 5.074 -9.703 627 HA LYS 87 HA LYS 87 63.589 6.816 -10.742 628 1HB LYS 87 HB2 LYS 87 66.510 7.021 -10.173 629 2HB LYS 87 HB1 LYS 87 65.806 8.244 -11.230 630 1HG LYS 87 HG2 LYS 87 63.940 8.084 -9.211 631 2HG LYS 87 HG1 LYS 87 65.454 7.844 -8.337 632 1HD LYS 87 HD2 LYS 87 66.197 9.888 -9.931 633 2HD LYS 87 HD1 LYS 87 64.473 10.241 -9.801 634 1HE LYS 87 HE2 LYS 87 66.163 9.642 -7.370 635 2HE LYS 87 HE1 LYS 87 65.996 11.277 -8.010 636 1HZ LYS 87 HZ1 LYS 87 63.567 11.006 -7.833 637 2HZ LYS 87 HZ3 LYS 87 63.804 9.502 -7.084 638 3HZ LYS 87 HZ2 LYS 87 64.352 10.922 -6.329 639 H GLU 88 HN GLU 88 65.895 4.750 -12.318 640 HA GLU 88 HA GLU 88 66.334 4.376 -14.595 641 1HB GLU 88 HB2 GLU 88 63.675 4.356 -14.355 642 2HB GLU 88 HB1 GLU 88 63.819 5.808 -15.349 643 1HG GLU 88 HG2 GLU 88 65.311 4.435 -16.902 644 2HG GLU 88 HG1 GLU 88 64.780 3.014 -16.001 645 H ASP 89 HN ASP 89 68.094 5.865 -14.742 646 HA ASP 89 HA ASP 89 67.483 8.662 -15.480 647 1HB ASP 89 HB2 ASP 89 70.050 8.795 -15.536 648 2HB ASP 89 HB1 ASP 89 69.307 8.482 -13.967 649 H ALA 90 HN ALA 90 67.356 5.925 -17.164 650 HA ALA 90 HA ALA 90 67.518 5.434 -19.452 651 1HB ALA 90 HB1 ALA 90 66.508 7.774 -19.575 652 2HB ALA 90 HB3 ALA 90 68.149 8.371 -19.828 653 3HB ALA 90 HB2 ALA 90 67.424 7.265 -20.995 No H/Q in entry = 653 Start of MODEL 19 1 1H ALA 1 HT3 ALA 1 69.276 16.505 12.012 2 2H ALA 1 HT2 ALA 1 70.408 15.468 12.743 3 3H ALA 1 HT1 ALA 1 69.566 16.609 13.680 4 HA ALA 1 HA ALA 1 70.731 18.408 12.780 5 1HB ALA 1 HB3 ALA 1 72.031 16.355 14.103 6 2HB ALA 1 HB2 ALA 1 73.064 16.631 12.701 7 3HB ALA 1 HB1 ALA 1 72.703 17.959 13.803 8 H SER 2 HN SER 2 71.410 15.431 10.941 9 HA SER 2 HA SER 2 71.736 17.140 8.522 10 1HB SER 2 HB2 SER 2 73.607 14.909 9.368 11 2HB SER 2 HB1 SER 2 73.643 15.707 7.799 12 HG SER 2 HG SER 2 73.936 16.968 10.331 13 H MET 3 HN MET 3 70.464 16.378 6.901 14 HA MET 3 HA MET 3 69.813 13.466 6.864 15 1HB MET 3 HB2 MET 3 67.474 14.189 6.112 16 2HB MET 3 HB1 MET 3 67.851 14.438 7.816 17 1HG MET 3 HG2 MET 3 68.309 16.780 7.445 18 2HG MET 3 HG1 MET 3 68.190 16.577 5.698 19 1HE MET 3 HE2 MET 3 66.851 16.644 8.989 20 2HE MET 3 HE1 MET 3 65.913 18.076 8.574 21 3HE MET 3 HE3 MET 3 65.092 16.554 8.943 22 H THR 4 HN THR 4 70.523 12.704 4.935 23 HA THR 4 HA THR 4 71.347 14.293 2.746 24 HB THR 4 HB THR 4 71.019 12.104 1.422 25 HG1 THR 4 HG1 THR 4 69.665 10.855 2.440 26 1HG2 THR 4 HG23 THR 4 72.783 12.681 3.717 27 2HG2 THR 4 HG22 THR 4 72.709 10.983 3.252 28 3HG2 THR 4 HG21 THR 4 73.197 12.199 2.072 29 H ASP 5 HN ASP 5 70.263 15.156 1.000 30 HA ASP 5 HA ASP 5 67.403 15.459 1.148 31 1HB ASP 5 HB2 ASP 5 69.430 16.075 -1.012 32 2HB ASP 5 HB1 ASP 5 67.711 16.423 -1.201 33 H GLN 6 HN GLN 6 69.491 13.129 -0.380 34 HA GLN 6 HA GLN 6 67.787 12.154 -2.422 35 1HB GLN 6 HB2 GLN 6 69.914 10.883 -0.711 36 2HB GLN 6 HB1 GLN 6 68.979 9.900 -1.839 37 1HG GLN 6 HG2 GLN 6 70.051 10.756 -3.641 38 2HG GLN 6 HG1 GLN 6 69.945 12.404 -3.022 39 1HE2 GLN 6 HE22 GLN 6 73.041 10.280 -1.368 40 2HE2 GLN 6 HE21 GLN 6 71.477 9.623 -1.365 41 H GLN 7 HN GLN 7 67.698 11.688 1.058 42 HA GLN 7 HA GLN 7 65.762 9.508 0.940 43 1HB GLN 7 HB2 GLN 7 66.716 11.298 3.191 44 2HB GLN 7 HB1 GLN 7 65.542 10.000 3.416 45 1HG GLN 7 HG2 GLN 7 67.122 8.330 2.741 46 2HG GLN 7 HG1 GLN 7 68.260 9.549 2.166 47 1HE2 GLN 7 HE22 GLN 7 69.786 9.003 5.356 48 2HE2 GLN 7 HE21 GLN 7 69.873 8.604 3.708 49 H ALA 8 HN ALA 8 65.637 13.019 1.208 50 HA ALA 8 HA ALA 8 62.858 13.173 1.966 51 1HB ALA 8 HB1 ALA 8 64.792 15.002 1.934 52 2HB ALA 8 HB3 ALA 8 64.131 15.335 0.333 53 3HB ALA 8 HB2 ALA 8 63.099 15.467 1.759 54 H GLU 9 HN GLU 9 64.506 12.674 -1.065 55 HA GLU 9 HA GLU 9 62.129 13.337 -2.668 56 1HB GLU 9 HB2 GLU 9 64.916 13.050 -3.167 57 2HB GLU 9 HB1 GLU 9 64.086 11.837 -4.142 58 1HG GLU 9 HG2 GLU 9 63.417 14.795 -4.068 59 2HG GLU 9 HG1 GLU 9 64.278 13.969 -5.368 60 H ALA 10 HN ALA 10 63.946 10.411 -1.738 61 HA ALA 10 HA ALA 10 62.353 8.536 -3.162 62 1HB ALA 10 HB3 ALA 10 63.945 8.306 -0.601 63 2HB ALA 10 HB2 ALA 10 63.132 6.924 -1.338 64 3HB ALA 10 HB1 ALA 10 64.408 7.767 -2.215 65 H ARG 11 HN ARG 11 61.911 10.025 0.023 66 HA ARG 11 HA ARG 11 59.666 8.386 0.788 67 1HB ARG 11 HB2 ARG 11 61.214 10.400 1.982 68 2HB ARG 11 HB1 ARG 11 59.581 11.062 1.911 69 1HG ARG 11 HG2 ARG 11 58.796 9.595 3.450 70 2HG ARG 11 HG1 ARG 11 59.668 8.241 2.730 71 1HD ARG 11 HD2 ARG 11 60.685 8.517 4.850 72 2HD ARG 11 HD1 ARG 11 61.790 9.320 3.733 73 HE ARG 11 HE ARG 11 61.345 11.300 4.911 74 1HH1 ARG 11 HH11 ARG 11 59.352 8.959 6.219 75 2HH1 ARG 11 HH12 ARG 11 58.111 10.047 6.745 76 1HH2 ARG 11 HH21 ARG 11 59.455 12.794 5.112 77 2HH2 ARG 11 HH22 ARG 11 58.170 12.217 6.118 78 H ALA 12 HN ALA 12 60.019 11.178 -1.264 79 HA ALA 12 HA ALA 12 57.198 11.918 -1.182 80 1HB ALA 12 HB3 ALA 12 59.605 13.030 -2.223 81 2HB ALA 12 HB2 ALA 12 58.483 12.846 -3.571 82 3HB ALA 12 HB1 ALA 12 58.010 13.779 -2.150 83 H PHE 13 HN PHE 13 59.210 9.782 -3.105 84 HA PHE 13 HA PHE 13 57.099 9.400 -5.123 85 1HB PHE 13 HB2 PHE 13 59.494 9.365 -5.776 86 2HB PHE 13 HB1 PHE 13 59.742 7.957 -4.742 87 HD1 PHE 13 HD1 PHE 13 57.170 9.022 -7.264 88 HD2 PHE 13 HD2 PHE 13 59.854 5.957 -5.911 89 HE1 PHE 13 HE1 PHE 13 56.401 7.541 -9.099 90 HE2 PHE 13 HE2 PHE 13 59.086 4.473 -7.746 91 HZ PHE 13 HZ PHE 13 57.359 5.265 -9.339 92 H LEU 14 HN LEU 14 58.308 7.850 -2.228 93 HA LEU 14 HA LEU 14 56.682 5.428 -2.751 94 1HB LEU 14 HB2 LEU 14 58.442 6.101 -0.374 95 2HB LEU 14 HB1 LEU 14 57.747 4.525 -0.749 96 HG LEU 14 HG LEU 14 59.633 6.009 -2.598 97 1HD1 LEU 14 HD12 LEU 14 60.127 4.332 -0.229 98 2HD1 LEU 14 HD11 LEU 14 60.976 3.790 -1.676 99 3HD1 LEU 14 HD13 LEU 14 61.217 5.430 -1.075 100 1HD2 LEU 14 HD21 LEU 14 58.397 3.249 -2.547 101 2HD2 LEU 14 HD23 LEU 14 58.338 4.448 -3.841 102 3HD2 LEU 14 HD22 LEU 14 59.845 3.600 -3.491 103 H SER 15 HN SER 15 54.623 5.317 -2.007 104 HA SER 15 HA SER 15 53.697 7.356 -0.071 105 1HB SER 15 HB2 SER 15 52.256 5.332 -1.798 106 2HB SER 15 HB1 SER 15 51.428 6.318 -0.595 107 HG SER 15 HG SER 15 51.883 8.108 -1.737 108 H GLU 16 HN GLU 16 52.141 6.509 1.674 109 HA GLU 16 HA GLU 16 53.509 4.684 3.375 110 1HB GLU 16 HB2 GLU 16 51.124 6.283 3.476 111 2HB GLU 16 HB1 GLU 16 50.755 4.666 4.074 112 1HG GLU 16 HG2 GLU 16 51.524 5.933 5.963 113 2HG GLU 16 HG1 GLU 16 52.841 4.847 5.515 114 H GLU 17 HN GLU 17 50.996 4.185 0.957 115 HA GLU 17 HA GLU 17 50.323 1.497 1.755 116 1HB GLU 17 HB2 GLU 17 49.140 1.355 -0.326 117 2HB GLU 17 HB1 GLU 17 48.955 3.017 0.239 118 1HG GLU 17 HG2 GLU 17 49.749 3.654 -1.776 119 2HG GLU 17 HG1 GLU 17 51.323 3.080 -1.222 120 H MET 18 HN MET 18 52.962 2.860 -0.048 121 HA MET 18 HA MET 18 53.708 0.203 -1.139 122 1HB MET 18 HB2 MET 18 53.854 2.467 -2.424 123 2HB MET 18 HB1 MET 18 55.320 2.724 -1.477 124 1HG MET 18 HG2 MET 18 56.322 1.578 -3.174 125 2HG MET 18 HG1 MET 18 55.710 0.162 -2.320 126 1HE MET 18 HE2 MET 18 55.505 2.667 -4.946 127 2HE MET 18 HE1 MET 18 54.359 2.114 -6.164 128 3HE MET 18 HE3 MET 18 53.780 2.932 -4.706 129 H ILE 19 HN ILE 19 54.557 2.413 1.420 130 HA ILE 19 HA ILE 19 57.143 1.115 1.925 131 HB ILE 19 HB ILE 19 55.569 3.268 3.347 132 1HG1 ILE 19 HG12 ILE 19 58.362 3.690 2.511 133 2HG1 ILE 19 HG11 ILE 19 57.263 3.342 1.175 134 1HG2 ILE 19 HG23 ILE 19 58.080 1.815 4.197 135 2HG2 ILE 19 HG22 ILE 19 57.716 3.447 4.754 136 3HG2 ILE 19 HG21 ILE 19 56.625 2.119 5.144 137 1HD1 ILE 19 HD13 ILE 19 56.653 5.406 3.301 138 2HD1 ILE 19 HD12 ILE 19 57.482 5.802 1.796 139 3HD1 ILE 19 HD11 ILE 19 55.835 5.174 1.756 140 H ALA 20 HN ALA 20 53.849 0.666 2.831 141 HA ALA 20 HA ALA 20 54.293 -0.629 5.374 142 1HB ALA 20 HB2 ALA 20 52.040 -0.361 3.447 143 2HB ALA 20 HB1 ALA 20 51.987 -1.756 4.526 144 3HB ALA 20 HB3 ALA 20 52.058 -0.126 5.195 145 H GLU 21 HN GLU 21 54.201 -1.692 2.023 146 HA GLU 21 HA GLU 21 54.423 -4.522 2.690 147 1HB GLU 21 HB2 GLU 21 53.419 -4.246 0.611 148 2HB GLU 21 HB1 GLU 21 54.424 -2.862 0.194 149 1HG GLU 21 HG2 GLU 21 56.131 -4.167 -0.607 150 2HG GLU 21 HG1 GLU 21 55.810 -5.474 0.534 151 H PHE 22 HN PHE 22 56.640 -1.992 1.488 152 HA PHE 22 HA PHE 22 58.961 -3.622 1.282 153 1HB PHE 22 HB2 PHE 22 58.529 -0.678 1.769 154 2HB PHE 22 HB1 PHE 22 60.154 -1.361 1.773 155 HD1 PHE 22 HD1 PHE 22 57.709 -3.046 -0.312 156 HD2 PHE 22 HD2 PHE 22 60.614 0.117 -0.229 157 HE1 PHE 22 HE1 PHE 22 57.737 -3.007 -2.791 158 HE2 PHE 22 HE2 PHE 22 60.642 0.155 -2.709 159 HZ PHE 22 HZ PHE 22 59.204 -1.407 -3.988 160 H LYS 23 HN LYS 23 57.461 -2.043 4.059 161 HA LYS 23 HA LYS 23 59.642 -2.368 5.888 162 1HB LYS 23 HB2 LYS 23 57.788 -0.913 6.462 163 2HB LYS 23 HB1 LYS 23 56.648 -2.256 6.361 164 1HG LYS 23 HG2 LYS 23 57.147 -1.905 8.697 165 2HG LYS 23 HG1 LYS 23 57.955 -3.391 8.200 166 1HD LYS 23 HD2 LYS 23 60.068 -2.422 8.250 167 2HD LYS 23 HD1 LYS 23 59.440 -0.795 7.989 168 1HE LYS 23 HE2 LYS 23 60.206 -1.013 10.301 169 2HE LYS 23 HE1 LYS 23 58.451 -0.839 10.272 170 1HZ LYS 23 HZ2 LYS 23 59.749 -3.495 10.276 171 2HZ LYS 23 HZ1 LYS 23 59.418 -2.666 11.721 172 3HZ LYS 23 HZ3 LYS 23 58.148 -3.100 10.684 173 H ALA 24 HN ALA 24 57.090 -4.541 4.796 174 HA ALA 24 HA ALA 24 57.338 -6.555 6.780 175 1HB ALA 24 HB2 ALA 24 56.270 -6.360 4.044 176 2HB ALA 24 HB1 ALA 24 56.842 -7.974 4.468 177 3HB ALA 24 HB3 ALA 24 55.606 -7.189 5.453 178 H ALA 25 HN ALA 25 58.995 -6.310 3.612 179 HA ALA 25 HA ALA 25 60.697 -8.575 4.064 180 1HB ALA 25 HB2 ALA 25 60.189 -6.908 1.931 181 2HB ALA 25 HB1 ALA 25 61.822 -6.426 2.392 182 3HB ALA 25 HB3 ALA 25 61.481 -8.108 1.981 183 H PHE 26 HN PHE 26 60.952 -5.165 4.908 184 HA PHE 26 HA PHE 26 63.683 -4.950 5.501 185 1HB PHE 26 HB2 PHE 26 61.934 -3.123 5.676 186 2HB PHE 26 HB1 PHE 26 61.471 -3.816 7.231 187 HD1 PHE 26 HD1 PHE 26 64.696 -3.062 5.464 188 HD2 PHE 26 HD2 PHE 26 62.379 -2.710 9.061 189 HE1 PHE 26 HE1 PHE 26 66.577 -1.867 6.556 190 HE2 PHE 26 HE2 PHE 26 64.258 -1.515 10.156 191 HZ PHE 26 HZ PHE 26 66.357 -1.094 8.903 192 H ASP 27 HN ASP 27 61.225 -5.567 8.034 193 HA ASP 27 HA ASP 27 63.053 -6.480 9.982 194 1HB ASP 27 HB2 ASP 27 61.111 -7.504 11.087 195 2HB ASP 27 HB1 ASP 27 60.689 -5.910 10.460 196 H MET 28 HN MET 28 61.969 -8.034 7.109 197 HA MET 28 HA MET 28 62.277 -10.771 7.936 198 1HB MET 28 HB2 MET 28 61.470 -9.464 5.617 199 2HB MET 28 HB1 MET 28 62.974 -10.254 5.144 200 1HG MET 28 HG2 MET 28 61.664 -12.180 6.670 201 2HG MET 28 HG1 MET 28 60.370 -11.435 5.731 202 1HE MET 28 HE2 MET 28 63.860 -12.710 5.793 203 2HE MET 28 HE1 MET 28 64.204 -13.401 4.210 204 3HE MET 28 HE3 MET 28 64.215 -11.647 4.434 205 H PHE 29 HN PHE 29 64.517 -8.390 6.539 206 HA PHE 29 HA PHE 29 66.718 -10.343 6.534 207 1HB PHE 29 HB2 PHE 29 67.208 -7.415 6.185 208 2HB PHE 29 HB1 PHE 29 67.917 -8.780 5.325 209 HD1 PHE 29 HD1 PHE 29 65.869 -10.298 4.182 210 HD2 PHE 29 HD2 PHE 29 65.915 -6.050 4.815 211 HE1 PHE 29 HE1 PHE 29 64.213 -10.009 2.357 212 HE2 PHE 29 HE2 PHE 29 64.260 -5.760 2.991 213 HZ PHE 29 HZ PHE 29 63.409 -7.739 1.761 214 H ASP 30 HN ASP 30 65.260 -8.326 8.818 215 HA ASP 30 HA ASP 30 67.783 -8.225 10.424 216 1HB ASP 30 HB2 ASP 30 66.165 -6.116 9.743 217 2HB ASP 30 HB1 ASP 30 65.513 -6.568 11.319 218 H ALA 31 HN ALA 31 67.306 -10.472 11.093 219 HA ALA 31 HA ALA 31 64.869 -11.000 12.610 220 1HB ALA 31 HB2 ALA 31 66.411 -12.675 11.300 221 2HB ALA 31 HB1 ALA 31 67.345 -12.695 12.794 222 3HB ALA 31 HB3 ALA 31 65.655 -13.194 12.806 223 H ASP 32 HN ASP 32 67.889 -9.547 13.282 224 HA ASP 32 HA ASP 32 68.022 -10.269 16.100 225 1HB ASP 32 HB2 ASP 32 69.359 -8.015 14.570 226 2HB ASP 32 HB1 ASP 32 69.764 -8.513 16.214 227 H GLY 33 HN GLY 33 66.138 -8.089 14.279 228 1HA GLY 33 HA2 GLY 33 64.505 -6.552 14.985 229 2HA GLY 33 HA1 GLY 33 64.798 -7.095 16.637 230 H GLY 34 HN GLY 34 67.445 -5.942 14.674 231 1HA GLY 34 HA2 GLY 34 68.006 -3.846 16.631 232 2HA GLY 34 HA1 GLY 34 68.966 -4.205 15.194 233 H GLY 35 HN GLY 35 66.196 -4.061 13.730 234 1HA GLY 35 HA2 GLY 35 64.806 -2.341 12.839 235 2HA GLY 35 HA1 GLY 35 65.667 -1.166 13.835 236 H ASP 36 HN ASP 36 67.833 -3.196 12.229 237 HA ASP 36 HA ASP 36 67.920 -1.760 9.694 238 1HB ASP 36 HB2 ASP 36 70.365 -0.982 10.299 239 2HB ASP 36 HB1 ASP 36 68.987 0.015 10.766 240 H ILE 37 HN ILE 37 68.960 -3.039 8.209 241 HA ILE 37 HA ILE 37 70.436 -5.393 9.294 242 HB ILE 37 HB ILE 37 69.150 -6.613 7.900 243 1HG1 ILE 37 HG12 ILE 37 71.080 -6.168 6.295 244 2HG1 ILE 37 HG11 ILE 37 69.550 -6.611 5.533 245 1HG2 ILE 37 HG21 ILE 37 67.476 -4.801 8.108 246 2HG2 ILE 37 HG23 ILE 37 68.169 -4.014 6.688 247 3HG2 ILE 37 HG22 ILE 37 67.395 -5.590 6.532 248 1HD1 ILE 37 HD12 ILE 37 69.560 -3.778 5.901 249 2HD1 ILE 37 HD11 ILE 37 71.086 -4.231 5.145 250 3HD1 ILE 37 HD13 ILE 37 69.558 -4.679 4.385 251 H SER 38 HN SER 38 72.458 -5.971 8.320 252 HA SER 38 HA SER 38 74.111 -3.739 7.585 253 1HB SER 38 HB2 SER 38 74.685 -6.162 8.554 254 2HB SER 38 HB1 SER 38 74.921 -6.520 6.847 255 HG SER 38 HG SER 38 76.301 -4.766 8.538 256 H THR 39 HN THR 39 75.074 -3.294 5.504 257 HA THR 39 HA THR 39 73.269 -3.584 3.291 258 HB THR 39 HB THR 39 74.877 -2.399 2.008 259 HG1 THR 39 HG1 THR 39 76.678 -3.527 3.853 260 1HG2 THR 39 HG21 THR 39 74.478 -1.663 4.811 261 2HG2 THR 39 HG23 THR 39 75.939 -0.956 4.122 262 3HG2 THR 39 HG22 THR 39 74.376 -0.662 3.362 263 H LYS 40 HN LYS 40 75.428 -5.780 4.656 264 HA LYS 40 HA LYS 40 76.420 -7.111 2.314 265 1HB LYS 40 HB2 LYS 40 76.615 -7.458 5.105 266 2HB LYS 40 HB1 LYS 40 75.900 -8.949 4.491 267 1HG LYS 40 HG2 LYS 40 77.713 -9.072 2.785 268 2HG LYS 40 HG1 LYS 40 78.457 -7.649 3.515 269 1HD LYS 40 HD2 LYS 40 78.808 -8.812 5.601 270 2HD LYS 40 HD1 LYS 40 77.863 -10.194 5.046 271 1HE LYS 40 HE2 LYS 40 79.516 -10.668 3.305 272 2HE LYS 40 HE1 LYS 40 80.444 -9.241 3.770 273 1HZ LYS 40 HZ1 LYS 40 79.958 -10.825 6.044 274 2HZ LYS 40 HZ3 LYS 40 80.618 -11.807 4.828 275 3HZ LYS 40 HZ2 LYS 40 81.447 -10.413 5.336 276 H ALA 41 HN ALA 41 73.467 -7.490 4.237 277 HA ALA 41 HA ALA 41 72.514 -9.668 2.493 278 1HB ALA 41 HB2 ALA 41 71.696 -8.451 5.064 279 2HB ALA 41 HB1 ALA 41 70.370 -9.005 4.044 280 3HB ALA 41 HB3 ALA 41 71.628 -10.135 4.544 281 H LEU 42 HN LEU 42 72.540 -6.297 2.401 282 HA LEU 42 HA LEU 42 70.002 -5.546 1.491 283 1HB LEU 42 HB2 LEU 42 72.679 -4.484 1.341 284 2HB LEU 42 HB1 LEU 42 71.866 -4.241 -0.204 285 HG LEU 42 HG LEU 42 71.332 -2.322 1.111 286 1HD1 LEU 42 HD11 LEU 42 69.365 -4.063 0.208 287 2HD1 LEU 42 HD13 LEU 42 68.851 -3.680 1.852 288 3HD1 LEU 42 HD12 LEU 42 69.117 -2.383 0.686 289 1HD2 LEU 42 HD22 LEU 42 71.323 -4.306 3.281 290 2HD2 LEU 42 HD21 LEU 42 71.694 -2.582 3.334 291 3HD2 LEU 42 HD23 LEU 42 70.017 -3.126 3.396 292 H GLY 43 HN GLY 43 72.444 -7.454 -0.139 293 1HA GLY 43 HA2 GLY 43 71.380 -7.211 -2.802 294 2HA GLY 43 HA1 GLY 43 72.433 -8.510 -2.238 295 H THR 44 HN THR 44 70.888 -9.636 -0.228 296 HA THR 44 HA THR 44 69.054 -11.263 -1.725 297 HB THR 44 HB THR 44 69.343 -10.860 1.267 298 HG1 THR 44 HG1 THR 44 71.177 -11.754 0.516 299 1HG2 THR 44 HG21 THR 44 67.229 -12.048 -0.063 300 2HG2 THR 44 HG23 THR 44 68.291 -13.413 0.287 301 3HG2 THR 44 HG22 THR 44 67.710 -12.389 1.600 302 H VAL 45 HN VAL 45 68.660 -8.415 0.318 303 HA VAL 45 HA VAL 45 65.862 -8.428 0.647 304 HB VAL 45 HB VAL 45 67.731 -6.082 0.197 305 1HG1 VAL 45 HG11 VAL 45 64.831 -6.275 0.974 306 2HG1 VAL 45 HG13 VAL 45 65.822 -4.941 1.567 307 3HG1 VAL 45 HG12 VAL 45 65.602 -5.172 -0.167 308 1HG2 VAL 45 HG22 VAL 45 66.939 -7.761 2.532 309 2HG2 VAL 45 HG21 VAL 45 68.483 -6.988 2.181 310 3HG2 VAL 45 HG23 VAL 45 67.141 -6.033 2.812 311 H MET 46 HN MET 46 67.760 -6.939 -1.996 312 HA MET 46 HA MET 46 65.446 -6.159 -3.519 313 1HB MET 46 HB2 MET 46 68.206 -6.755 -4.620 314 2HB MET 46 HB1 MET 46 66.991 -5.666 -5.295 315 1HG MET 46 HG2 MET 46 67.163 -4.249 -3.260 316 2HG MET 46 HG1 MET 46 68.431 -5.313 -2.648 317 1HE MET 46 HE1 MET 46 67.448 -2.434 -4.028 318 2HE MET 46 HE3 MET 46 69.011 -1.868 -3.426 319 3HE MET 46 HE2 MET 46 68.635 -1.762 -5.144 320 H ARG 47 HN ARG 47 66.996 -9.195 -3.055 321 HA ARG 47 HA ARG 47 66.499 -10.489 -5.526 322 1HB ARG 47 HB2 ARG 47 67.719 -11.356 -3.401 323 2HB ARG 47 HB1 ARG 47 66.118 -11.886 -2.885 324 1HG ARG 47 HG2 ARG 47 65.968 -13.493 -4.523 325 2HG ARG 47 HG1 ARG 47 66.937 -12.566 -5.668 326 1HD ARG 47 HD2 ARG 47 68.963 -13.055 -4.308 327 2HD ARG 47 HD1 ARG 47 67.977 -14.050 -3.238 328 HE ARG 47 HE ARG 47 68.802 -14.750 -5.979 329 1HH1 ARG 47 HH11 ARG 47 65.806 -15.235 -5.270 330 2HH1 ARG 47 HH12 ARG 47 65.873 -16.905 -4.820 331 1HH2 ARG 47 HH21 ARG 47 69.327 -16.962 -4.524 332 2HH2 ARG 47 HH22 ARG 47 67.865 -17.884 -4.398 333 H MET 48 HN MET 48 64.415 -10.616 -2.603 334 HA MET 48 HA MET 48 62.201 -11.755 -4.084 335 1HB MET 48 HB2 MET 48 60.908 -11.333 -2.016 336 2HB MET 48 HB1 MET 48 62.449 -12.113 -1.661 337 1HG MET 48 HG2 MET 48 63.440 -9.967 -1.055 338 2HG MET 48 HG1 MET 48 61.958 -9.126 -1.507 339 1HE MET 48 HE3 MET 48 63.798 -11.483 0.526 340 2HE MET 48 HE2 MET 48 63.025 -11.576 2.106 341 3HE MET 48 HE1 MET 48 62.446 -12.592 0.789 342 H LEU 49 HN LEU 49 63.467 -8.631 -3.915 343 HA LEU 49 HA LEU 49 60.994 -7.128 -4.085 344 1HB LEU 49 HB2 LEU 49 63.906 -6.566 -4.483 345 2HB LEU 49 HB1 LEU 49 62.738 -5.420 -5.136 346 HG LEU 49 HG LEU 49 63.605 -5.064 -2.704 347 1HD1 LEU 49 HD12 LEU 49 61.646 -3.941 -3.873 348 2HD1 LEU 49 HD11 LEU 49 60.610 -5.145 -3.103 349 3HD1 LEU 49 HD13 LEU 49 61.538 -4.018 -2.113 350 1HD2 LEU 49 HD22 LEU 49 62.909 -7.594 -2.257 351 2HD2 LEU 49 HD21 LEU 49 62.742 -6.377 -0.996 352 3HD2 LEU 49 HD23 LEU 49 61.338 -6.866 -1.940 353 H GLY 50 HN GLY 50 63.341 -8.363 -6.466 354 1HA GLY 50 HA2 GLY 50 62.222 -9.236 -8.578 355 2HA GLY 50 HA1 GLY 50 61.347 -7.704 -8.598 356 H GLN 51 HN GLN 51 64.508 -7.294 -7.462 357 HA GLN 51 HA GLN 51 65.358 -6.347 -10.169 358 1HB GLN 51 HB2 GLN 51 65.922 -5.305 -7.392 359 2HB GLN 51 HB1 GLN 51 66.939 -4.865 -8.765 360 1HG GLN 51 HG2 GLN 51 65.398 -3.159 -8.912 361 2HG GLN 51 HG1 GLN 51 64.551 -4.372 -9.873 362 1HE2 GLN 51 HE22 GLN 51 62.077 -3.205 -7.388 363 2HE2 GLN 51 HE21 GLN 51 62.863 -2.571 -8.753 364 H ASN 52 HN ASN 52 67.749 -6.470 -10.543 365 HA ASN 52 HA ASN 52 69.206 -8.430 -8.884 366 1HB ASN 52 HB2 ASN 52 69.064 -8.960 -11.841 367 2HB ASN 52 HB1 ASN 52 69.479 -10.069 -10.532 368 1HD2 ASN 52 HD22 ASN 52 65.528 -9.372 -11.398 369 2HD2 ASN 52 HD21 ASN 52 66.714 -8.310 -11.985 370 HA PRO 53 HA PRO 53 71.764 -5.078 -10.789 371 1HB PRO 53 HB2 PRO 53 72.673 -4.074 -8.396 372 2HB PRO 53 HB1 PRO 53 71.196 -3.511 -9.197 373 1HG PRO 53 HG2 PRO 53 71.482 -5.261 -6.798 374 2HG PRO 53 HG1 PRO 53 70.149 -4.183 -7.248 375 1HD PRO 53 HD2 PRO 53 70.176 -6.996 -7.551 376 2HD PRO 53 HD1 PRO 53 69.015 -5.878 -8.297 377 H THR 54 HN THR 54 74.089 -5.111 -10.924 378 HA THR 54 HA THR 54 75.316 -7.636 -10.188 379 HB THR 54 HB THR 54 76.103 -6.651 -12.209 380 HG1 THR 54 HG1 THR 54 78.005 -7.232 -11.585 381 1HG2 THR 54 HG23 THR 54 75.987 -4.176 -10.591 382 2HG2 THR 54 HG22 THR 54 77.318 -4.265 -11.746 383 3HG2 THR 54 HG21 THR 54 75.653 -4.419 -12.307 384 H LYS 55 HN LYS 55 76.790 -8.032 -8.522 385 HA LYS 55 HA LYS 55 76.616 -6.599 -6.115 386 1HB LYS 55 HB2 LYS 55 77.748 -8.922 -6.725 387 2HB LYS 55 HB1 LYS 55 79.210 -7.935 -6.803 388 1HG LYS 55 HG2 LYS 55 77.740 -7.179 -4.465 389 2HG LYS 55 HG1 LYS 55 77.895 -8.936 -4.478 390 1HD LYS 55 HD2 LYS 55 80.153 -6.929 -4.745 391 2HD LYS 55 HD1 LYS 55 79.836 -7.970 -3.357 392 1HE LYS 55 HE2 LYS 55 80.054 -9.942 -4.986 393 2HE LYS 55 HE1 LYS 55 80.739 -8.783 -6.123 394 1HZ LYS 55 HZ3 LYS 55 81.760 -9.191 -3.369 395 2HZ LYS 55 HZ2 LYS 55 82.403 -9.963 -4.737 396 3HZ LYS 55 HZ1 LYS 55 82.474 -8.272 -4.602 397 H GLU 56 HN GLU 56 78.436 -5.857 -8.968 398 HA GLU 56 HA GLU 56 80.447 -4.187 -7.768 399 1HB GLU 56 HB2 GLU 56 80.067 -5.121 -10.269 400 2HB GLU 56 HB1 GLU 56 79.415 -3.494 -10.473 401 1HG GLU 56 HG2 GLU 56 81.837 -3.559 -10.972 402 2HG GLU 56 HG1 GLU 56 81.495 -2.532 -9.581 403 H GLU 57 HN GLU 57 77.725 -3.036 -9.781 404 HA GLU 57 HA GLU 57 77.751 -0.377 -8.892 405 1HB GLU 57 HB2 GLU 57 76.152 -1.882 -10.579 406 2HB GLU 57 HB1 GLU 57 75.036 -1.408 -9.298 407 1HG GLU 57 HG2 GLU 57 74.922 0.382 -10.838 408 2HG GLU 57 HG1 GLU 57 76.023 0.968 -9.591 409 H LEU 58 HN LEU 58 76.080 -3.170 -7.464 410 HA LEU 58 HA LEU 58 74.568 -1.847 -5.494 411 1HB LEU 58 HB2 LEU 58 74.537 -4.318 -5.986 412 2HB LEU 58 HB1 LEU 58 76.055 -4.459 -5.099 413 HG LEU 58 HG LEU 58 74.400 -2.985 -3.397 414 1HD1 LEU 58 HD12 LEU 58 72.729 -4.307 -5.217 415 2HD1 LEU 58 HD11 LEU 58 72.721 -5.328 -3.780 416 3HD1 LEU 58 HD13 LEU 58 72.256 -3.631 -3.659 417 1HD2 LEU 58 HD23 LEU 58 75.147 -5.920 -3.511 418 2HD2 LEU 58 HD22 LEU 58 75.956 -4.640 -2.606 419 3HD2 LEU 58 HD21 LEU 58 74.350 -5.186 -2.120 420 H ASP 59 HN ASP 59 77.961 -2.956 -5.295 421 HA ASP 59 HA ASP 59 78.467 -2.145 -2.633 422 1HB ASP 59 HB2 ASP 59 80.267 -2.267 -5.064 423 2HB ASP 59 HB1 ASP 59 80.871 -1.881 -3.452 424 H ALA 60 HN ALA 60 78.797 -0.275 -5.660 425 HA ALA 60 HA ALA 60 79.702 2.130 -4.373 426 1HB ALA 60 HB1 ALA 60 78.439 1.529 -7.045 427 2HB ALA 60 HB3 ALA 60 78.760 3.190 -6.551 428 3HB ALA 60 HB2 ALA 60 80.090 2.041 -6.699 429 H ILE 61 HN ILE 61 76.584 0.660 -4.712 430 HA ILE 61 HA ILE 61 75.055 3.105 -4.270 431 HB ILE 61 HB ILE 61 74.361 0.161 -4.177 432 1HG1 ILE 61 HG12 ILE 61 73.495 2.406 -6.025 433 2HG1 ILE 61 HG11 ILE 61 74.779 1.253 -6.390 434 1HG2 ILE 61 HG21 ILE 61 72.679 2.589 -3.538 435 2HG2 ILE 61 HG23 ILE 61 71.960 1.080 -4.101 436 3HG2 ILE 61 HG22 ILE 61 72.870 1.113 -2.592 437 1HD1 ILE 61 HD13 ILE 61 72.880 -0.511 -5.776 438 2HD1 ILE 61 HD12 ILE 61 71.824 0.818 -6.248 439 3HD1 ILE 61 HD11 ILE 61 72.997 0.174 -7.395 440 H ILE 62 HN ILE 62 76.272 0.450 -2.268 441 HA ILE 62 HA ILE 62 74.918 1.090 0.144 442 HB ILE 62 HB ILE 62 77.644 -0.135 -0.356 443 1HG1 ILE 62 HG12 ILE 62 74.983 -1.340 0.467 444 2HG1 ILE 62 HG11 ILE 62 75.644 -1.381 -1.167 445 1HG2 ILE 62 HG22 ILE 62 76.113 0.351 2.195 446 2HG2 ILE 62 HG21 ILE 62 77.237 -1.000 2.054 447 3HG2 ILE 62 HG23 ILE 62 77.818 0.653 1.859 448 1HD1 ILE 62 HD11 ILE 62 77.627 -2.291 0.729 449 2HD1 ILE 62 HD13 ILE 62 76.142 -3.224 0.908 450 3HD1 ILE 62 HD12 ILE 62 76.949 -3.142 -0.659 451 H GLU 63 HN GLU 63 77.741 2.529 -1.381 452 HA GLU 63 HA GLU 63 78.658 4.011 0.907 453 1HB GLU 63 HB2 GLU 63 79.897 3.537 -1.300 454 2HB GLU 63 HB1 GLU 63 78.986 4.898 -1.958 455 1HG GLU 63 HG2 GLU 63 80.184 6.434 -0.781 456 2HG GLU 63 HG1 GLU 63 80.260 5.414 0.656 457 H GLU 64 HN GLU 64 76.592 4.958 -1.860 458 HA GLU 64 HA GLU 64 76.132 7.624 -0.850 459 1HB GLU 64 HB2 GLU 64 74.443 6.038 -2.802 460 2HB GLU 64 HB1 GLU 64 74.459 7.792 -2.607 461 1HG GLU 64 HG2 GLU 64 76.840 7.837 -3.276 462 2HG GLU 64 HG1 GLU 64 76.806 6.087 -3.496 463 H VAL 65 HN VAL 65 74.749 4.553 -0.061 464 HA VAL 65 HA VAL 65 72.270 5.759 0.992 465 HB VAL 65 HB VAL 65 73.217 2.913 1.380 466 1HG1 VAL 65 HG12 VAL 65 70.941 4.389 2.205 467 2HG1 VAL 65 HG11 VAL 65 70.401 3.301 0.925 468 3HG1 VAL 65 HG13 VAL 65 71.206 2.652 2.355 469 1HG2 VAL 65 HG22 VAL 65 72.994 4.035 -1.086 470 2HG2 VAL 65 HG21 VAL 65 72.601 2.348 -0.751 471 3HG2 VAL 65 HG23 VAL 65 71.320 3.558 -0.807 472 H ASP 66 HN ASP 66 75.337 4.491 2.199 473 HA ASP 66 HA ASP 66 74.450 4.897 4.994 474 1HB ASP 66 HB2 ASP 66 76.439 3.273 3.665 475 2HB ASP 66 HB1 ASP 66 77.194 4.238 4.935 476 H GLU 67 HN GLU 67 74.337 7.318 3.998 477 HA GLU 67 HA GLU 67 76.817 8.768 3.822 478 1HB GLU 67 HB2 GLU 67 73.937 9.548 4.228 479 2HB GLU 67 HB1 GLU 67 75.213 10.756 4.376 480 1HG GLU 67 HG2 GLU 67 75.084 8.934 1.978 481 2HG GLU 67 HG1 GLU 67 74.129 10.416 2.042 482 H ASP 68 HN ASP 68 74.902 7.645 6.491 483 HA ASP 68 HA ASP 68 76.101 9.508 8.418 484 1HB ASP 68 HB2 ASP 68 74.857 8.189 10.096 485 2HB ASP 68 HB1 ASP 68 73.806 8.675 8.766 486 H GLY 69 HN GLY 69 77.419 7.059 6.761 487 1HA GLY 69 HA2 GLY 69 79.099 5.460 7.195 488 2HA GLY 69 HA1 GLY 69 79.740 6.739 8.228 489 H SER 70 HN SER 70 76.657 5.096 8.756 490 HA SER 70 HA SER 70 77.445 4.454 11.491 491 1HB SER 70 HB2 SER 70 75.197 3.655 11.757 492 2HB SER 70 HB1 SER 70 75.099 5.091 10.742 493 HG SER 70 HG SER 70 75.215 3.563 8.932 494 H GLY 71 HN GLY 71 77.411 2.805 8.426 495 1HA GLY 71 HA2 GLY 71 78.632 0.782 7.999 496 2HA GLY 71 HA1 GLY 71 78.636 0.448 9.731 497 H THR 72 HN THR 72 75.571 1.435 8.783 498 HA THR 72 HA THR 72 74.653 -1.246 7.957 499 HB THR 72 HB THR 72 72.842 -0.635 9.975 500 HG1 THR 72 HG1 THR 72 74.545 -0.530 11.740 501 1HG2 THR 72 HG22 THR 72 74.814 -2.648 9.330 502 2HG2 THR 72 HG21 THR 72 74.739 -2.402 11.074 503 3HG2 THR 72 HG23 THR 72 73.280 -2.831 10.180 504 H ILE 73 HN ILE 73 72.199 -1.151 7.551 505 HA ILE 73 HA ILE 73 71.497 1.587 6.570 506 HB ILE 73 HB ILE 73 70.585 -1.095 5.488 507 1HG1 ILE 73 HG12 ILE 73 73.051 -0.402 5.158 508 2HG1 ILE 73 HG11 ILE 73 72.130 -0.799 3.707 509 1HG2 ILE 73 HG23 ILE 73 68.971 0.778 5.209 510 2HG2 ILE 73 HG22 ILE 73 70.229 1.715 4.404 511 3HG2 ILE 73 HG21 ILE 73 69.628 0.230 3.667 512 1HD1 ILE 73 HD11 ILE 73 71.825 2.007 4.401 513 2HD1 ILE 73 HD13 ILE 73 73.524 1.583 4.196 514 3HD1 ILE 73 HD12 ILE 73 72.379 1.287 2.888 515 H ASP 74 HN ASP 74 69.517 2.413 7.181 516 HA ASP 74 HA ASP 74 67.909 0.729 9.049 517 1HB ASP 74 HB2 ASP 74 67.561 3.701 8.755 518 2HB ASP 74 HB1 ASP 74 67.284 2.684 10.170 519 H PHE 75 HN PHE 75 65.479 1.229 8.937 520 HA PHE 75 HA PHE 75 64.432 0.597 6.409 521 1HB PHE 75 HB2 PHE 75 63.276 0.558 8.717 522 2HB PHE 75 HB1 PHE 75 62.900 2.254 8.412 523 HD1 PHE 75 HD2 PHE 75 63.054 -0.715 6.141 524 HD2 PHE 75 HD1 PHE 75 60.638 2.411 7.824 525 HE1 PHE 75 HE2 PHE 75 61.159 -1.397 4.688 526 HE2 PHE 75 HE1 PHE 75 58.744 1.731 6.375 527 HZ PHE 75 HZ PHE 75 59.004 -0.172 4.806 528 H GLU 76 HN GLU 76 65.362 3.709 7.701 529 HA GLU 76 HA GLU 76 63.897 5.264 5.723 530 1HB GLU 76 HB2 GLU 76 66.052 5.883 7.737 531 2HB GLU 76 HB1 GLU 76 65.566 7.083 6.538 532 1HG GLU 76 HG2 GLU 76 63.330 7.138 7.343 533 2HG GLU 76 HG1 GLU 76 63.549 5.660 8.280 534 H GLU 77 HN GLU 77 67.166 3.935 5.979 535 HA GLU 77 HA GLU 77 68.035 5.315 3.535 536 1HB GLU 77 HB2 GLU 77 69.336 3.275 5.351 537 2HB GLU 77 HB1 GLU 77 70.102 3.857 3.873 538 1HG GLU 77 HG2 GLU 77 70.138 6.117 4.677 539 2HG GLU 77 HG1 GLU 77 69.095 5.713 6.042 540 H PHE 78 HN PHE 78 66.475 2.348 4.346 541 HA PHE 78 HA PHE 78 67.385 0.780 2.111 542 1HB PHE 78 HB2 PHE 78 66.398 -0.617 3.641 543 2HB PHE 78 HB1 PHE 78 65.252 0.609 4.174 544 HD1 PHE 78 HD2 PHE 78 63.191 1.037 2.903 545 HD2 PHE 78 HD1 PHE 78 65.872 -2.133 1.830 546 HE1 PHE 78 HE2 PHE 78 61.414 0.015 1.498 547 HE2 PHE 78 HE1 PHE 78 64.103 -3.159 0.423 548 HZ PHE 78 HZ PHE 78 61.873 -2.084 0.259 549 H LEU 79 HN LEU 79 64.474 2.785 2.652 550 HA LEU 79 HA LEU 79 63.245 2.410 0.143 551 1HB LEU 79 HB2 LEU 79 63.379 4.995 1.728 552 2HB LEU 79 HB1 LEU 79 62.168 4.580 0.515 553 HG LEU 79 HG LEU 79 62.617 2.804 2.906 554 1HD1 LEU 79 HD13 LEU 79 61.476 5.505 2.854 555 2HD1 LEU 79 HD12 LEU 79 60.358 4.294 3.484 556 3HD1 LEU 79 HD11 LEU 79 61.939 4.508 4.233 557 1HD2 LEU 79 HD22 LEU 79 61.169 2.382 0.699 558 2HD2 LEU 79 HD21 LEU 79 60.612 1.837 2.281 559 3HD2 LEU 79 HD23 LEU 79 59.985 3.334 1.593 560 H VAL 80 HN VAL 80 66.062 4.288 1.032 561 HA VAL 80 HA VAL 80 66.193 5.877 -1.373 562 HB VAL 80 HB VAL 80 68.255 5.070 0.692 563 1HG1 VAL 80 HG12 VAL 80 68.623 6.219 -1.980 564 2HG1 VAL 80 HG11 VAL 80 69.286 7.236 -0.700 565 3HG1 VAL 80 HG13 VAL 80 69.824 5.562 -0.866 566 1HG2 VAL 80 HG21 VAL 80 66.734 7.606 0.036 567 2HG2 VAL 80 HG23 VAL 80 66.662 6.663 1.524 568 3HG2 VAL 80 HG22 VAL 80 68.118 7.575 1.128 569 H MET 81 HN MET 81 67.574 2.742 -0.417 570 HA MET 81 HA MET 81 69.176 2.366 -2.761 571 1HB MET 81 HB2 MET 81 67.875 0.374 -0.882 572 2HB MET 81 HB1 MET 81 69.010 -0.078 -2.155 573 1HG MET 81 HG2 MET 81 70.331 1.983 -0.888 574 2HG MET 81 HG1 MET 81 69.527 1.168 0.453 575 1HE MET 81 HE3 MET 81 72.003 1.343 0.914 576 2HE MET 81 HE2 MET 81 71.761 -0.224 1.682 577 3HE MET 81 HE1 MET 81 73.144 0.026 0.619 578 H MET 82 HN MET 82 65.771 1.792 -2.084 579 HA MET 82 HA MET 82 65.269 0.228 -4.467 580 1HB MET 82 HB2 MET 82 63.148 1.895 -3.142 581 2HB MET 82 HB1 MET 82 63.017 0.285 -3.848 582 1HG MET 82 HG2 MET 82 64.317 1.052 -1.223 583 2HG MET 82 HG1 MET 82 62.940 -0.019 -1.474 584 1HE MET 82 HE2 MET 82 63.710 -1.572 -4.000 585 2HE MET 82 HE1 MET 82 64.463 -3.027 -3.350 586 3HE MET 82 HE3 MET 82 63.029 -2.343 -2.570 587 H VAL 83 HN VAL 83 63.949 3.476 -3.742 588 HA VAL 83 HA VAL 83 63.396 4.148 -6.428 589 HB VAL 83 HB VAL 83 64.204 6.066 -4.220 590 1HG1 VAL 83 HG12 VAL 83 64.044 6.898 -6.635 591 2HG1 VAL 83 HG11 VAL 83 62.326 6.514 -6.550 592 3HG1 VAL 83 HG13 VAL 83 63.013 7.722 -5.465 593 1HG2 VAL 83 HG23 VAL 83 62.291 4.315 -3.817 594 2HG2 VAL 83 HG22 VAL 83 61.993 6.012 -3.438 595 3HG2 VAL 83 HG21 VAL 83 61.377 5.323 -4.940 596 H ARG 84 HN ARG 84 66.427 4.042 -4.752 597 HA ARG 84 HA ARG 84 67.889 5.879 -6.414 598 1HB ARG 84 HB2 ARG 84 68.890 5.238 -4.337 599 2HB ARG 84 HB1 ARG 84 68.728 3.521 -4.710 600 1HG ARG 84 HG2 ARG 84 70.362 3.697 -6.493 601 2HG ARG 84 HG1 ARG 84 70.438 5.448 -6.304 602 1HD ARG 84 HD2 ARG 84 71.024 3.683 -3.945 603 2HD ARG 84 HD1 ARG 84 72.270 3.945 -5.165 604 HE ARG 84 HE ARG 84 71.619 5.810 -3.148 605 1HH1 ARG 84 HH21 ARG 84 72.583 5.503 -6.413 606 2HH1 ARG 84 HH22 ARG 84 72.775 7.205 -6.671 607 1HH2 ARG 84 HH11 ARG 84 71.579 8.082 -3.535 608 2HH2 ARG 84 HH12 ARG 84 72.205 8.666 -5.041 609 H GLN 85 HN GLN 85 67.248 2.389 -6.618 610 HA GLN 85 HA GLN 85 68.883 2.044 -9.003 611 1HB GLN 85 HB2 GLN 85 67.495 0.358 -7.166 612 2HB GLN 85 HB1 GLN 85 66.889 -0.001 -8.784 613 1HG GLN 85 HG2 GLN 85 69.586 0.217 -9.243 614 2HG GLN 85 HG1 GLN 85 69.555 -0.489 -7.625 615 1HE2 GLN 85 HE22 GLN 85 67.727 -2.631 -10.636 616 2HE2 GLN 85 HE21 GLN 85 67.677 -0.934 -10.690 617 H MET 86 HN MET 86 65.425 2.522 -8.342 618 HA MET 86 HA MET 86 64.825 2.426 -11.236 619 1HB MET 86 HB2 MET 86 63.035 2.919 -8.835 620 2HB MET 86 HB1 MET 86 62.476 2.753 -10.501 621 1HG MET 86 HG2 MET 86 63.550 0.481 -10.563 622 2HG MET 86 HG1 MET 86 63.894 0.651 -8.842 623 1HE MET 86 HE2 MET 86 62.426 0.923 -7.085 624 2HE MET 86 HE1 MET 86 61.233 2.107 -7.614 625 3HE MET 86 HE3 MET 86 60.711 0.528 -7.008 626 H LYS 87 HN LYS 87 66.552 4.561 -10.174 627 HA LYS 87 HA LYS 87 64.787 6.921 -10.684 628 1HB LYS 87 HB2 LYS 87 66.775 6.409 -8.667 629 2HB LYS 87 HB1 LYS 87 67.294 7.769 -9.663 630 1HG LYS 87 HG2 LYS 87 64.467 7.979 -9.111 631 2HG LYS 87 HG1 LYS 87 65.365 7.808 -7.602 632 1HD LYS 87 HD2 LYS 87 66.616 9.749 -7.970 633 2HD LYS 87 HD1 LYS 87 66.349 9.707 -9.712 634 1HE LYS 87 HE2 LYS 87 64.026 10.348 -9.430 635 2HE LYS 87 HE1 LYS 87 64.164 10.227 -7.677 636 1HZ LYS 87 HZ2 LYS 87 65.676 12.116 -9.400 637 2HZ LYS 87 HZ1 LYS 87 64.341 12.519 -8.430 638 3HZ LYS 87 HZ3 LYS 87 65.788 12.008 -7.708 639 H GLU 88 HN GLU 88 67.962 5.479 -11.382 640 HA GLU 88 HA GLU 88 68.254 7.391 -13.653 641 1HB GLU 88 HB2 GLU 88 70.632 6.385 -13.688 642 2HB GLU 88 HB1 GLU 88 70.222 7.434 -12.331 643 1HG GLU 88 HG2 GLU 88 69.855 5.569 -10.878 644 2HG GLU 88 HG1 GLU 88 69.898 4.428 -12.222 645 H ASP 89 HN ASP 89 66.365 5.319 -13.953 646 HA ASP 89 HA ASP 89 65.773 3.702 -15.550 647 1HB ASP 89 HB2 ASP 89 67.998 5.142 -16.688 648 2HB ASP 89 HB1 ASP 89 68.114 3.436 -17.119 649 H ALA 90 HN ALA 90 66.210 2.405 -13.423 650 HA ALA 90 HA ALA 90 67.053 0.454 -12.426 651 1HB ALA 90 HB3 ALA 90 67.710 -0.117 -15.331 652 2HB ALA 90 HB2 ALA 90 67.791 -1.312 -14.036 653 3HB ALA 90 HB1 ALA 90 66.241 -0.591 -14.475 No H/Q in entry = 653 Start of MODEL 20 1 1H ALA 1 HT3 ALA 1 63.175 14.749 13.993 2 2H ALA 1 HT2 ALA 1 63.218 15.198 15.631 3 3H ALA 1 HT1 ALA 1 61.908 15.665 14.653 4 HA ALA 1 HA ALA 1 63.161 17.593 14.774 5 1HB ALA 1 HB1 ALA 1 65.107 16.376 15.844 6 2HB ALA 1 HB3 ALA 1 65.639 15.944 14.220 7 3HB ALA 1 HB2 ALA 1 65.567 17.637 14.702 8 H SER 2 HN SER 2 65.356 17.929 12.820 9 HA SER 2 HA SER 2 63.755 18.210 10.444 10 1HB SER 2 HB2 SER 2 66.779 18.235 10.624 11 2HB SER 2 HB1 SER 2 65.781 18.993 9.387 12 HG SER 2 HG SER 2 66.180 20.609 10.775 13 H MET 3 HN MET 3 65.879 17.281 8.574 14 HA MET 3 HA MET 3 66.338 14.478 8.869 15 1HB MET 3 HB2 MET 3 64.587 13.897 6.974 16 2HB MET 3 HB1 MET 3 64.082 13.935 8.665 17 1HG MET 3 HG2 MET 3 63.146 16.126 8.433 18 2HG MET 3 HG1 MET 3 63.900 16.352 6.854 19 1HE MET 3 HE1 MET 3 62.395 16.899 5.450 20 2HE MET 3 HE3 MET 3 62.703 15.441 4.496 21 3HE MET 3 HE2 MET 3 61.049 15.973 4.791 22 H THR 4 HN THR 4 67.442 13.625 7.019 23 HA THR 4 HA THR 4 68.792 15.589 5.409 24 HB THR 4 HB THR 4 69.763 13.646 4.241 25 HG1 THR 4 HG1 THR 4 68.185 11.980 5.857 26 1HG2 THR 4 HG21 THR 4 69.897 14.201 7.011 27 2HG2 THR 4 HG23 THR 4 69.875 12.445 6.856 28 3HG2 THR 4 HG22 THR 4 71.109 13.388 6.022 29 H ASP 5 HN ASP 5 68.587 15.950 3.125 30 HA ASP 5 HA ASP 5 65.868 15.967 2.161 31 1HB ASP 5 HB2 ASP 5 68.446 16.380 0.615 32 2HB ASP 5 HB1 ASP 5 66.831 16.852 0.086 33 H GLN 6 HN GLN 6 68.439 13.657 2.004 34 HA GLN 6 HA GLN 6 67.730 12.272 -0.383 35 1HB GLN 6 HB2 GLN 6 69.153 11.532 2.151 36 2HB GLN 6 HB1 GLN 6 68.692 10.251 1.029 37 1HG GLN 6 HG2 GLN 6 69.996 12.655 -0.148 38 2HG GLN 6 HG1 GLN 6 71.021 11.581 0.806 39 1HE2 GLN 6 HE22 GLN 6 70.938 8.945 -1.570 40 2HE2 GLN 6 HE21 GLN 6 71.383 9.405 0.002 41 H GLN 7 HN GLN 7 66.572 11.897 2.968 42 HA GLN 7 HA GLN 7 64.764 9.725 2.256 43 1HB GLN 7 HB2 GLN 7 64.597 11.460 4.727 44 2HB GLN 7 HB1 GLN 7 64.063 9.790 4.533 45 1HG GLN 7 HG2 GLN 7 66.411 9.082 4.205 46 2HG GLN 7 HG1 GLN 7 66.939 10.751 4.432 47 1HE2 GLN 7 HE22 GLN 7 67.060 8.846 7.713 48 2HE2 GLN 7 HE21 GLN 7 67.681 8.498 6.171 49 H ALA 8 HN ALA 8 64.649 13.170 2.138 50 HA ALA 8 HA ALA 8 61.781 13.473 2.349 51 1HB ALA 8 HB1 ALA 8 63.981 15.192 2.162 52 2HB ALA 8 HB3 ALA 8 63.076 15.473 0.675 53 3HB ALA 8 HB2 ALA 8 62.285 15.671 2.239 54 H GLU 9 HN GLU 9 64.025 12.924 -0.337 55 HA GLU 9 HA GLU 9 61.856 13.117 -2.314 56 1HB GLU 9 HB2 GLU 9 64.684 13.301 -2.381 57 2HB GLU 9 HB1 GLU 9 64.248 11.899 -3.358 58 1HG GLU 9 HG2 GLU 9 63.969 13.509 -4.971 59 2HG GLU 9 HG1 GLU 9 62.371 13.624 -4.230 60 H ALA 10 HN ALA 10 63.545 10.648 -0.500 61 HA ALA 10 HA ALA 10 62.860 8.400 -2.140 62 1HB ALA 10 HB3 ALA 10 64.524 8.459 -0.201 63 2HB ALA 10 HB2 ALA 10 63.129 8.352 0.874 64 3HB ALA 10 HB1 ALA 10 63.468 7.047 -0.265 65 H ARG 11 HN ARG 11 61.316 9.540 0.892 66 HA ARG 11 HA ARG 11 59.018 7.829 0.570 67 1HB ARG 11 HB2 ARG 11 59.998 9.714 2.501 68 2HB ARG 11 HB1 ARG 11 58.315 10.095 2.139 69 1HG ARG 11 HG2 ARG 11 57.539 8.069 2.935 70 2HG ARG 11 HG1 ARG 11 59.041 7.226 2.557 71 1HD ARG 11 HD2 ARG 11 59.051 7.378 4.917 72 2HD ARG 11 HD1 ARG 11 60.104 8.695 4.398 73 HE ARG 11 HE ARG 11 57.654 9.018 5.847 74 1HH1 ARG 11 HH11 ARG 11 56.337 10.370 3.866 75 2HH1 ARG 11 HH12 ARG 11 57.074 11.931 3.729 76 1HH2 ARG 11 HH21 ARG 11 59.970 11.004 5.397 77 2HH2 ARG 11 HH22 ARG 11 59.130 12.291 4.596 78 H ALA 12 HN ALA 12 59.878 10.963 -0.676 79 HA ALA 12 HA ALA 12 57.218 11.896 -1.258 80 1HB ALA 12 HB3 ALA 12 59.917 12.544 -2.467 81 2HB ALA 12 HB2 ALA 12 58.429 13.362 -2.941 82 3HB ALA 12 HB1 ALA 12 59.015 13.491 -1.282 83 H PHE 13 HN PHE 13 59.526 9.863 -3.012 84 HA PHE 13 HA PHE 13 57.787 9.763 -5.384 85 1HB PHE 13 HB2 PHE 13 60.316 9.690 -5.496 86 2HB PHE 13 HB1 PHE 13 60.232 8.079 -4.780 87 HD1 PHE 13 HD2 PHE 13 58.779 6.316 -5.956 88 HD2 PHE 13 HD1 PHE 13 60.003 9.990 -7.813 89 HE1 PHE 13 HE2 PHE 13 58.304 5.346 -8.189 90 HE2 PHE 13 HE1 PHE 13 59.528 9.021 -10.045 91 HZ PHE 13 HZ PHE 13 58.679 6.698 -10.235 92 H LEU 14 HN LEU 14 58.552 7.775 -2.575 93 HA LEU 14 HA LEU 14 56.901 5.554 -3.630 94 1HB LEU 14 HB2 LEU 14 58.294 5.768 -0.946 95 2HB LEU 14 HB1 LEU 14 57.670 4.304 -1.708 96 HG LEU 14 HG LEU 14 59.819 6.031 -2.961 97 1HD1 LEU 14 HD12 LEU 14 59.987 3.728 -1.029 98 2HD1 LEU 14 HD11 LEU 14 61.262 3.983 -2.221 99 3HD1 LEU 14 HD13 LEU 14 60.900 5.238 -1.035 100 1HD2 LEU 14 HD21 LEU 14 58.408 3.494 -3.621 101 2HD2 LEU 14 HD23 LEU 14 59.070 4.724 -4.698 102 3HD2 LEU 14 HD22 LEU 14 60.140 3.539 -3.950 103 H SER 15 HN SER 15 54.802 5.251 -3.017 104 HA SER 15 HA SER 15 53.572 7.249 -1.244 105 1HB SER 15 HB2 SER 15 52.606 6.151 -3.451 106 2HB SER 15 HB1 SER 15 52.083 4.887 -2.342 107 HG SER 15 HG SER 15 50.709 6.898 -2.781 108 H GLU 16 HN GLU 16 52.240 6.588 0.614 109 HA GLU 16 HA GLU 16 53.566 4.931 2.459 110 1HB GLU 16 HB2 GLU 16 50.632 5.677 2.288 111 2HB GLU 16 HB1 GLU 16 51.364 4.885 3.684 112 1HG GLU 16 HG2 GLU 16 51.973 6.912 4.449 113 2HG GLU 16 HG1 GLU 16 53.048 7.064 3.058 114 H GLU 17 HN GLU 17 51.442 4.067 -0.151 115 HA GLU 17 HA GLU 17 50.658 1.473 0.835 116 1HB GLU 17 HB2 GLU 17 50.345 3.023 -1.595 117 2HB GLU 17 HB1 GLU 17 50.744 1.347 -1.975 118 1HG GLU 17 HG2 GLU 17 48.543 2.209 -0.076 119 2HG GLU 17 HG1 GLU 17 48.289 1.701 -1.746 120 H MET 18 HN MET 18 53.285 2.552 -1.332 121 HA MET 18 HA MET 18 54.367 -0.108 -1.676 122 1HB MET 18 HB2 MET 18 55.900 2.483 -1.962 123 2HB MET 18 HB1 MET 18 56.182 0.958 -2.803 124 1HG MET 18 HG2 MET 18 53.457 1.910 -3.196 125 2HG MET 18 HG1 MET 18 54.646 3.095 -3.738 126 1HE MET 18 HE2 MET 18 53.191 2.539 -5.982 127 2HE MET 18 HE1 MET 18 54.835 3.148 -6.164 128 3HE MET 18 HE3 MET 18 54.256 1.832 -7.195 129 H ILE 19 HN ILE 19 55.477 2.697 0.262 130 HA ILE 19 HA ILE 19 57.648 1.479 1.550 131 HB ILE 19 HB ILE 19 55.651 3.510 2.575 132 1HG1 ILE 19 HG12 ILE 19 58.393 4.370 2.217 133 2HG1 ILE 19 HG11 ILE 19 57.786 3.630 0.736 134 1HG2 ILE 19 HG21 ILE 19 58.174 2.422 3.841 135 2HG2 ILE 19 HG23 ILE 19 57.492 3.988 4.281 136 3HG2 ILE 19 HG22 ILE 19 56.562 2.512 4.549 137 1HD1 ILE 19 HD11 ILE 19 55.786 5.355 1.956 138 2HD1 ILE 19 HD13 ILE 19 57.274 6.236 1.610 139 3HD1 ILE 19 HD12 ILE 19 56.433 5.383 0.316 140 H ALA 20 HN ALA 20 54.203 1.101 2.177 141 HA ALA 20 HA ALA 20 54.420 -0.209 4.711 142 1HB ALA 20 HB3 ALA 20 52.306 0.688 3.552 143 2HB ALA 20 HB2 ALA 20 52.307 -0.823 2.642 144 3HB ALA 20 HB1 ALA 20 52.152 -0.853 4.399 145 H GLU 21 HN GLU 21 54.444 -1.458 1.378 146 HA GLU 21 HA GLU 21 54.569 -4.235 2.168 147 1HB GLU 21 HB2 GLU 21 54.986 -2.702 -0.369 148 2HB GLU 21 HB1 GLU 21 55.594 -4.355 -0.282 149 1HG GLU 21 HG2 GLU 21 53.513 -5.122 -0.651 150 2HG GLU 21 HG1 GLU 21 52.984 -4.360 0.851 151 H PHE 22 HN PHE 22 56.998 -1.751 1.506 152 HA PHE 22 HA PHE 22 59.263 -3.511 1.448 153 1HB PHE 22 HB2 PHE 22 59.080 -0.589 2.243 154 2HB PHE 22 HB1 PHE 22 60.583 -1.456 1.923 155 HD1 PHE 22 HD1 PHE 22 59.606 -3.201 -0.354 156 HD2 PHE 22 HD2 PHE 22 59.099 0.989 0.448 157 HE1 PHE 22 HE1 PHE 22 59.342 -2.768 -2.780 158 HE2 PHE 22 HE2 PHE 22 58.835 1.422 -1.979 159 HZ PHE 22 HZ PHE 22 58.956 -0.459 -3.594 160 H LYS 23 HN LYS 23 57.470 -2.000 4.075 161 HA LYS 23 HA LYS 23 59.346 -2.373 6.169 162 1HB LYS 23 HB2 LYS 23 57.286 -1.079 6.476 163 2HB LYS 23 HB1 LYS 23 56.319 -2.540 6.260 164 1HG LYS 23 HG2 LYS 23 56.615 -1.990 8.658 165 2HG LYS 23 HG1 LYS 23 57.352 -3.539 8.251 166 1HD LYS 23 HD2 LYS 23 59.513 -2.724 8.447 167 2HD LYS 23 HD1 LYS 23 59.035 -1.070 8.060 168 1HE LYS 23 HE2 LYS 23 58.129 -2.424 10.602 169 2HE LYS 23 HE1 LYS 23 59.662 -1.557 10.510 170 1HZ LYS 23 HZ3 LYS 23 57.096 -0.335 9.680 171 2HZ LYS 23 HZ2 LYS 23 57.675 -0.239 11.276 172 3HZ LYS 23 HZ1 LYS 23 58.571 0.441 10.003 173 H ALA 24 HN ALA 24 57.638 -4.688 4.309 174 HA ALA 24 HA ALA 24 57.671 -6.781 6.361 175 1HB ALA 24 HB2 ALA 24 56.197 -6.420 4.090 176 2HB ALA 24 HB1 ALA 24 57.407 -7.571 3.524 177 3HB ALA 24 HB3 ALA 24 56.385 -7.973 4.904 178 H ALA 25 HN ALA 25 59.594 -5.893 3.512 179 HA ALA 25 HA ALA 25 61.319 -8.227 3.718 180 1HB ALA 25 HB1 ALA 25 60.905 -6.117 1.856 181 2HB ALA 25 HB3 ALA 25 62.599 -6.051 2.343 182 3HB ALA 25 HB2 ALA 25 61.934 -7.538 1.666 183 H PHE 26 HN PHE 26 61.401 -4.907 4.919 184 HA PHE 26 HA PHE 26 64.116 -4.803 5.723 185 1HB PHE 26 HB2 PHE 26 62.684 -2.826 5.739 186 2HB PHE 26 HB1 PHE 26 61.658 -3.548 6.979 187 HD1 PHE 26 HD2 PHE 26 62.657 -4.090 9.236 188 HD2 PHE 26 HD1 PHE 26 64.681 -1.694 6.310 189 HE1 PHE 26 HE2 PHE 26 64.157 -3.203 11.005 190 HE2 PHE 26 HE1 PHE 26 66.185 -0.803 8.074 191 HZ PHE 26 HZ PHE 26 65.921 -1.558 10.422 192 H ASP 27 HN ASP 27 61.283 -5.532 7.803 193 HA ASP 27 HA ASP 27 62.769 -6.430 10.039 194 1HB ASP 27 HB2 ASP 27 60.038 -7.341 9.082 195 2HB ASP 27 HB1 ASP 27 60.695 -7.634 10.693 196 H MET 28 HN MET 28 62.336 -7.911 6.969 197 HA MET 28 HA MET 28 62.667 -10.661 7.832 198 1HB MET 28 HB2 MET 28 62.103 -9.328 5.408 199 2HB MET 28 HB1 MET 28 63.614 -10.199 5.142 200 1HG MET 28 HG2 MET 28 61.106 -11.436 6.315 201 2HG MET 28 HG1 MET 28 61.596 -11.584 4.627 202 1HE MET 28 HE3 MET 28 63.889 -11.962 4.013 203 2HE MET 28 HE2 MET 28 65.111 -11.939 5.281 204 3HE MET 28 HE1 MET 28 64.713 -13.456 4.478 205 H PHE 29 HN PHE 29 64.858 -8.089 6.773 206 HA PHE 29 HA PHE 29 67.168 -9.932 7.118 207 1HB PHE 29 HB2 PHE 29 67.678 -7.124 6.345 208 2HB PHE 29 HB1 PHE 29 68.315 -8.613 5.650 209 HD1 PHE 29 HD1 PHE 29 66.145 -10.136 4.702 210 HD2 PHE 29 HD2 PHE 29 66.508 -5.860 4.787 211 HE1 PHE 29 HE1 PHE 29 64.507 -9.961 2.847 212 HE2 PHE 29 HE2 PHE 29 64.869 -5.683 2.934 213 HZ PHE 29 HZ PHE 29 63.869 -7.733 1.963 214 H ASP 30 HN ASP 30 65.387 -8.324 9.197 215 HA ASP 30 HA ASP 30 67.497 -6.771 10.551 216 1HB ASP 30 HB2 ASP 30 65.791 -6.066 12.067 217 2HB ASP 30 HB1 ASP 30 65.035 -6.090 10.474 218 H ALA 31 HN ALA 31 68.403 -9.318 10.395 219 HA ALA 31 HA ALA 31 67.601 -11.055 12.531 220 1HB ALA 31 HB3 ALA 31 69.374 -11.217 10.410 221 2HB ALA 31 HB2 ALA 31 70.441 -11.200 11.815 222 3HB ALA 31 HB1 ALA 31 69.184 -12.430 11.675 223 H ASP 32 HN ASP 32 69.214 -8.072 12.575 224 HA ASP 32 HA ASP 32 70.959 -8.532 14.838 225 1HB ASP 32 HB2 ASP 32 69.742 -5.922 13.889 226 2HB ASP 32 HB1 ASP 32 71.162 -6.105 14.920 227 H GLY 33 HN GLY 33 67.634 -7.337 14.464 228 1HA GLY 33 HA2 GLY 33 65.899 -7.535 16.085 229 2HA GLY 33 HA1 GLY 33 67.100 -8.052 17.270 230 H GLY 34 HN GLY 34 68.655 -5.541 16.120 231 1HA GLY 34 HA2 GLY 34 67.746 -3.763 18.265 232 2HA GLY 34 HA1 GLY 34 69.103 -3.467 17.178 233 H GLY 35 HN GLY 35 66.909 -4.258 15.015 234 1HA GLY 35 HA2 GLY 35 65.025 -3.056 14.045 235 2HA GLY 35 HA1 GLY 35 65.492 -1.638 14.989 236 H ASP 36 HN ASP 36 67.716 -3.650 13.117 237 HA ASP 36 HA ASP 36 67.830 -1.700 10.924 238 1HB ASP 36 HB2 ASP 36 70.266 -1.241 11.293 239 2HB ASP 36 HB1 ASP 36 69.238 -0.573 12.561 240 H ILE 37 HN ILE 37 69.266 -2.463 9.189 241 HA ILE 37 HA ILE 37 69.843 -5.390 9.415 242 HB ILE 37 HB ILE 37 68.144 -5.350 7.833 243 1HG1 ILE 37 HG12 ILE 37 70.657 -4.793 6.226 244 2HG1 ILE 37 HG11 ILE 37 70.047 -6.374 6.717 245 1HG2 ILE 37 HG21 ILE 37 69.241 -2.644 7.060 246 2HG2 ILE 37 HG23 ILE 37 68.028 -3.474 6.086 247 3HG2 ILE 37 HG22 ILE 37 67.663 -3.021 7.752 248 1HD1 ILE 37 HD11 ILE 37 67.992 -4.885 5.329 249 2HD1 ILE 37 HD13 ILE 37 69.449 -4.985 4.341 250 3HD1 ILE 37 HD12 ILE 37 68.683 -6.458 4.930 251 H SER 38 HN SER 38 71.571 -6.081 7.838 252 HA SER 38 HA SER 38 73.826 -4.159 7.994 253 1HB SER 38 HB2 SER 38 73.795 -7.054 7.077 254 2HB SER 38 HB1 SER 38 75.228 -6.077 7.382 255 HG SER 38 HG SER 38 74.900 -6.231 9.488 256 H THR 39 HN THR 39 74.913 -3.426 6.082 257 HA THR 39 HA THR 39 73.218 -3.164 3.774 258 HB THR 39 HB THR 39 74.908 -1.847 2.828 259 HG1 THR 39 HG1 THR 39 76.856 -2.959 4.532 260 1HG2 THR 39 HG21 THR 39 74.428 -1.636 5.642 261 2HG2 THR 39 HG23 THR 39 76.108 -1.196 5.331 262 3HG2 THR 39 HG22 THR 39 74.805 -0.348 4.497 263 H LYS 40 HN LYS 40 75.383 -5.616 4.794 264 HA LYS 40 HA LYS 40 76.053 -6.615 2.139 265 1HB LYS 40 HB2 LYS 40 76.962 -8.546 3.326 266 2HB LYS 40 HB1 LYS 40 77.453 -7.068 4.157 267 1HG LYS 40 HG2 LYS 40 76.558 -7.929 6.037 268 2HG LYS 40 HG1 LYS 40 74.973 -7.744 5.285 269 1HD LYS 40 HD2 LYS 40 74.872 -9.968 4.626 270 2HD LYS 40 HD1 LYS 40 76.627 -10.144 4.586 271 1HE LYS 40 HE2 LYS 40 76.787 -10.458 6.882 272 2HE LYS 40 HE1 LYS 40 75.293 -9.580 7.211 273 1HZ LYS 40 HZ1 LYS 40 74.538 -11.697 5.647 274 2HZ LYS 40 HZ3 LYS 40 75.680 -12.359 6.713 275 3HZ LYS 40 HZ2 LYS 40 74.316 -11.552 7.326 276 H ALA 41 HN ALA 41 73.266 -6.706 4.078 277 HA ALA 41 HA ALA 41 72.305 -9.288 3.024 278 1HB ALA 41 HB2 ALA 41 71.807 -7.936 5.357 279 2HB ALA 41 HB1 ALA 41 70.385 -7.522 4.400 280 3HB ALA 41 HB3 ALA 41 70.779 -9.214 4.708 281 H LEU 42 HN LEU 42 72.595 -6.295 1.713 282 HA LEU 42 HA LEU 42 69.996 -5.760 0.645 283 1HB LEU 42 HB2 LEU 42 72.799 -5.018 -0.129 284 2HB LEU 42 HB1 LEU 42 71.502 -4.718 -1.281 285 HG LEU 42 HG LEU 42 71.741 -2.716 0.018 286 1HD1 LEU 42 HD12 LEU 42 69.380 -3.861 -0.281 287 2HD1 LEU 42 HD11 LEU 42 69.470 -4.017 1.475 288 3HD1 LEU 42 HD13 LEU 42 69.553 -2.424 0.726 289 1HD2 LEU 42 HD21 LEU 42 71.933 -4.659 2.291 290 2HD2 LEU 42 HD23 LEU 42 72.927 -3.246 1.937 291 3HD2 LEU 42 HD22 LEU 42 71.308 -3.041 2.606 292 H GLY 43 HN GLY 43 72.789 -7.427 -0.850 293 1HA GLY 43 HA2 GLY 43 71.723 -8.195 -3.275 294 2HA GLY 43 HA1 GLY 43 72.777 -9.258 -2.341 295 H THR 44 HN THR 44 70.970 -9.608 -0.110 296 HA THR 44 HA THR 44 69.332 -11.737 -1.211 297 HB THR 44 HB THR 44 69.318 -10.544 1.580 298 HG1 THR 44 HG1 THR 44 70.887 -12.477 0.282 299 1HG2 THR 44 HG22 THR 44 67.358 -12.013 0.768 300 2HG2 THR 44 HG21 THR 44 68.526 -13.335 0.758 301 3HG2 THR 44 HG23 THR 44 68.163 -12.489 2.264 302 H VAL 45 HN VAL 45 68.593 -8.608 0.357 303 HA VAL 45 HA VAL 45 65.793 -8.703 0.233 304 HB VAL 45 HB VAL 45 67.431 -6.235 -0.399 305 1HG1 VAL 45 HG13 VAL 45 64.650 -6.827 0.514 306 2HG1 VAL 45 HG12 VAL 45 65.440 -5.397 1.177 307 3HG1 VAL 45 HG11 VAL 45 65.231 -5.561 -0.567 308 1HG2 VAL 45 HG23 VAL 45 67.067 -7.790 2.138 309 2HG2 VAL 45 HG22 VAL 45 68.481 -6.911 1.558 310 3HG2 VAL 45 HG21 VAL 45 67.112 -6.029 2.231 311 H MET 46 HN MET 46 67.880 -7.140 -2.231 312 HA MET 46 HA MET 46 65.948 -6.637 -4.169 313 1HB MET 46 HB2 MET 46 68.739 -7.690 -4.722 314 2HB MET 46 HB1 MET 46 67.736 -6.753 -5.831 315 1HG MET 46 HG2 MET 46 68.835 -5.812 -3.166 316 2HG MET 46 HG1 MET 46 69.343 -5.263 -4.764 317 1HE MET 46 HE1 MET 46 69.185 -3.102 -3.787 318 2HE MET 46 HE3 MET 46 68.462 -2.730 -5.359 319 3HE MET 46 HE2 MET 46 67.762 -2.068 -3.884 320 H ARG 47 HN ARG 47 67.408 -9.734 -3.333 321 HA ARG 47 HA ARG 47 66.398 -11.151 -5.645 322 1HB ARG 47 HB2 ARG 47 67.468 -11.993 -2.955 323 2HB ARG 47 HB1 ARG 47 66.782 -13.178 -4.067 324 1HG ARG 47 HG2 ARG 47 69.080 -11.291 -4.659 325 2HG ARG 47 HG1 ARG 47 69.197 -13.035 -4.420 326 1HD ARG 47 HD2 ARG 47 67.238 -12.767 -6.380 327 2HD ARG 47 HD1 ARG 47 68.434 -11.543 -6.811 328 HE ARG 47 HE ARG 47 69.810 -13.962 -6.206 329 1HH1 ARG 47 HH11 ARG 47 69.690 -12.092 -8.741 330 2HH1 ARG 47 HH12 ARG 47 69.336 -13.283 -9.950 331 1HH2 ARG 47 HH21 ARG 47 68.469 -15.735 -7.656 332 2HH2 ARG 47 HH22 ARG 47 68.647 -15.346 -9.335 333 H MET 48 HN MET 48 65.201 -10.664 -2.328 334 HA MET 48 HA MET 48 62.880 -12.355 -2.673 335 1HB MET 48 HB2 MET 48 63.999 -10.638 -0.603 336 2HB MET 48 HB1 MET 48 62.248 -10.464 -0.713 337 1HG MET 48 HG2 MET 48 61.894 -12.800 -0.376 338 2HG MET 48 HG1 MET 48 63.600 -13.166 -0.633 339 1HE MET 48 HE1 MET 48 65.365 -11.717 0.623 340 2HE MET 48 HE3 MET 48 65.434 -11.906 2.381 341 3HE MET 48 HE2 MET 48 65.341 -13.324 1.341 342 H LEU 49 HN LEU 49 63.051 -8.791 -2.332 343 HA LEU 49 HA LEU 49 60.474 -8.138 -3.106 344 1HB LEU 49 HB2 LEU 49 62.821 -6.600 -4.219 345 2HB LEU 49 HB1 LEU 49 61.265 -5.979 -3.666 346 HG LEU 49 HG LEU 49 63.551 -7.035 -1.994 347 1HD1 LEU 49 HD11 LEU 49 62.485 -4.447 -2.701 348 2HD1 LEU 49 HD13 LEU 49 62.367 -4.688 -0.958 349 3HD1 LEU 49 HD12 LEU 49 63.929 -4.829 -1.763 350 1HD2 LEU 49 HD23 LEU 49 60.658 -6.561 -1.203 351 2HD2 LEU 49 HD22 LEU 49 61.548 -8.082 -1.102 352 3HD2 LEU 49 HD21 LEU 49 61.978 -6.737 -0.046 353 H GLY 50 HN GLY 50 63.211 -8.246 -5.426 354 1HA GLY 50 HA2 GLY 50 62.259 -9.904 -7.375 355 2HA GLY 50 HA1 GLY 50 61.325 -8.436 -7.665 356 H GLN 51 HN GLN 51 63.448 -6.617 -6.844 357 HA GLN 51 HA GLN 51 64.706 -6.079 -9.280 358 1HB GLN 51 HB2 GLN 51 64.972 -5.185 -6.544 359 2HB GLN 51 HB1 GLN 51 66.563 -5.313 -7.295 360 1HG GLN 51 HG2 GLN 51 65.700 -3.996 -9.239 361 2HG GLN 51 HG1 GLN 51 64.179 -3.780 -8.372 362 1HE2 GLN 51 HE22 GLN 51 65.849 -0.763 -7.333 363 2HE2 GLN 51 HE21 GLN 51 64.816 -1.385 -8.528 364 H ASN 52 HN ASN 52 67.064 -6.305 -9.824 365 HA ASN 52 HA ASN 52 68.449 -8.595 -8.578 366 1HB ASN 52 HB2 ASN 52 66.925 -9.523 -10.380 367 2HB ASN 52 HB1 ASN 52 67.864 -8.599 -11.550 368 1HD2 ASN 52 HD22 ASN 52 69.426 -11.961 -11.406 369 2HD2 ASN 52 HD21 ASN 52 67.943 -11.316 -11.921 370 HA PRO 53 HA PRO 53 71.096 -5.148 -10.227 371 1HB PRO 53 HB2 PRO 53 72.091 -4.374 -7.782 372 2HB PRO 53 HB1 PRO 53 70.629 -3.683 -8.508 373 1HG PRO 53 HG2 PRO 53 70.867 -5.626 -6.258 374 2HG PRO 53 HG1 PRO 53 69.583 -4.455 -6.598 375 1HD PRO 53 HD2 PRO 53 69.465 -7.233 -7.115 376 2HD PRO 53 HD1 PRO 53 68.353 -6.004 -7.757 377 H THR 54 HN THR 54 73.395 -5.299 -10.452 378 HA THR 54 HA THR 54 74.521 -7.917 -9.896 379 HB THR 54 HB THR 54 76.557 -7.005 -10.954 380 HG1 THR 54 HG1 THR 54 76.626 -4.852 -11.509 381 1HG2 THR 54 HG22 THR 54 73.860 -6.589 -12.182 382 2HG2 THR 54 HG21 THR 54 75.284 -6.043 -13.067 383 3HG2 THR 54 HG23 THR 54 75.122 -7.740 -12.618 384 H LYS 55 HN LYS 55 76.348 -8.352 -8.522 385 HA LYS 55 HA LYS 55 76.253 -7.281 -5.930 386 1HB LYS 55 HB2 LYS 55 78.666 -8.165 -5.762 387 2HB LYS 55 HB1 LYS 55 77.420 -9.331 -6.209 388 1HG LYS 55 HG2 LYS 55 78.677 -9.806 -8.022 389 2HG LYS 55 HG1 LYS 55 78.216 -8.222 -8.645 390 1HD LYS 55 HD2 LYS 55 80.182 -7.195 -7.796 391 2HD LYS 55 HD1 LYS 55 80.546 -8.572 -6.755 392 1HE LYS 55 HE2 LYS 55 80.711 -9.938 -8.942 393 2HE LYS 55 HE1 LYS 55 80.792 -8.375 -9.757 394 1HZ LYS 55 HZ1 LYS 55 82.599 -7.918 -7.958 395 2HZ LYS 55 HZ3 LYS 55 82.706 -9.609 -7.903 396 3HZ LYS 55 HZ2 LYS 55 82.992 -8.788 -9.362 397 H GLU 56 HN GLU 56 78.349 -6.314 -8.646 398 HA GLU 56 HA GLU 56 79.879 -4.376 -7.229 399 1HB GLU 56 HB2 GLU 56 79.160 -4.806 -10.110 400 2HB GLU 56 HB1 GLU 56 79.933 -3.291 -9.642 401 1HG GLU 56 HG2 GLU 56 81.543 -4.982 -8.322 402 2HG GLU 56 HG1 GLU 56 81.026 -6.064 -9.616 403 H GLU 57 HN GLU 57 77.258 -3.608 -9.550 404 HA GLU 57 HA GLU 57 76.842 -0.957 -8.879 405 1HB GLU 57 HB2 GLU 57 75.419 -2.902 -10.312 406 2HB GLU 57 HB1 GLU 57 74.273 -2.301 -9.113 407 1HG GLU 57 HG2 GLU 57 74.667 -0.003 -9.823 408 2HG GLU 57 HG1 GLU 57 75.924 -0.533 -10.941 409 H LEU 58 HN LEU 58 76.000 -3.774 -6.970 410 HA LEU 58 HA LEU 58 74.209 -2.413 -5.155 411 1HB LEU 58 HB2 LEU 58 74.515 -4.960 -5.527 412 2HB LEU 58 HB1 LEU 58 75.884 -4.814 -4.424 413 HG LEU 58 HG LEU 58 73.873 -3.406 -3.129 414 1HD1 LEU 58 HD12 LEU 58 72.454 -4.671 -5.006 415 2HD1 LEU 58 HD11 LEU 58 72.589 -6.005 -3.860 416 3HD1 LEU 58 HD13 LEU 58 71.842 -4.486 -3.361 417 1HD2 LEU 58 HD22 LEU 58 75.161 -6.088 -2.895 418 2HD2 LEU 58 HD21 LEU 58 75.149 -4.746 -1.752 419 3HD2 LEU 58 HD23 LEU 58 73.735 -5.791 -1.900 420 H ASP 59 HN ASP 59 77.667 -3.303 -4.936 421 HA ASP 59 HA ASP 59 78.130 -2.161 -2.372 422 1HB ASP 59 HB2 ASP 59 79.659 -3.592 -4.053 423 2HB ASP 59 HB1 ASP 59 80.292 -1.986 -4.418 424 H ALA 60 HN ALA 60 78.526 -0.730 -5.624 425 HA ALA 60 HA ALA 60 79.396 1.833 -4.706 426 1HB ALA 60 HB3 ALA 60 78.157 0.796 -7.237 427 2HB ALA 60 HB2 ALA 60 78.299 2.539 -7.002 428 3HB ALA 60 HB1 ALA 60 79.743 1.528 -6.991 429 H ILE 61 HN ILE 61 76.252 0.344 -4.866 430 HA ILE 61 HA ILE 61 74.727 2.805 -4.700 431 HB ILE 61 HB ILE 61 74.097 -0.111 -4.236 432 1HG1 ILE 61 HG12 ILE 61 72.815 1.853 -6.139 433 2HG1 ILE 61 HG11 ILE 61 74.317 1.026 -6.548 434 1HG2 ILE 61 HG23 ILE 61 72.638 2.248 -3.259 435 2HG2 ILE 61 HG22 ILE 61 71.657 1.171 -4.254 436 3HG2 ILE 61 HG21 ILE 61 72.462 0.551 -2.812 437 1HD1 ILE 61 HD12 ILE 61 72.015 -0.599 -5.530 438 2HD1 ILE 61 HD11 ILE 61 71.981 -0.038 -7.201 439 3HD1 ILE 61 HD13 ILE 61 73.304 -1.061 -6.641 440 H ILE 62 HN ILE 62 75.752 0.358 -2.306 441 HA ILE 62 HA ILE 62 74.584 1.636 -0.034 442 HB ILE 62 HB ILE 62 76.960 -0.217 -0.331 443 1HG1 ILE 62 HG12 ILE 62 74.427 -0.885 1.108 444 2HG1 ILE 62 HG11 ILE 62 74.364 -0.791 -0.651 445 1HG2 ILE 62 HG23 ILE 62 77.227 1.220 1.681 446 2HG2 ILE 62 HG22 ILE 62 75.628 0.720 2.228 447 3HG2 ILE 62 HG21 ILE 62 76.928 -0.465 2.104 448 1HD1 ILE 62 HD12 ILE 62 76.670 -2.223 -0.269 449 2HD1 ILE 62 HD11 ILE 62 75.680 -2.787 1.077 450 3HD1 ILE 62 HD13 ILE 62 75.090 -2.944 -0.578 451 H GLU 63 HN GLU 63 77.224 2.537 -2.002 452 HA GLU 63 HA GLU 63 78.854 3.883 -0.053 453 1HB GLU 63 HB2 GLU 63 79.291 3.270 -2.592 454 2HB GLU 63 HB1 GLU 63 78.643 4.888 -2.868 455 1HG GLU 63 HG2 GLU 63 81.020 4.144 -1.141 456 2HG GLU 63 HG1 GLU 63 81.040 5.089 -2.630 457 H GLU 64 HN GLU 64 76.177 5.001 -2.132 458 HA GLU 64 HA GLU 64 76.319 7.680 -0.892 459 1HB GLU 64 HB2 GLU 64 75.277 6.576 -3.348 460 2HB GLU 64 HB1 GLU 64 74.011 7.474 -2.510 461 1HG GLU 64 HG2 GLU 64 76.753 8.674 -2.730 462 2HG GLU 64 HG1 GLU 64 75.665 8.744 -4.118 463 H VAL 65 HN VAL 65 74.587 4.714 -0.492 464 HA VAL 65 HA VAL 65 72.240 5.896 0.759 465 HB VAL 65 HB VAL 65 73.349 3.077 0.737 466 1HG1 VAL 65 HG12 VAL 65 70.943 4.277 2.098 467 2HG1 VAL 65 HG11 VAL 65 70.919 2.599 1.554 468 3HG1 VAL 65 HG13 VAL 65 72.116 3.125 2.739 469 1HG2 VAL 65 HG22 VAL 65 70.983 4.406 -0.623 470 2HG2 VAL 65 HG21 VAL 65 72.471 3.883 -1.411 471 3HG2 VAL 65 HG23 VAL 65 71.370 2.689 -0.723 472 H ASP 66 HN ASP 66 75.257 4.417 1.942 473 HA ASP 66 HA ASP 66 74.486 4.931 4.736 474 1HB ASP 66 HB2 ASP 66 76.649 3.485 3.325 475 2HB ASP 66 HB1 ASP 66 77.132 4.258 4.836 476 H GLU 67 HN GLU 67 74.283 7.339 3.908 477 HA GLU 67 HA GLU 67 76.699 8.851 3.502 478 1HB GLU 67 HB2 GLU 67 75.298 10.817 3.860 479 2HB GLU 67 HB1 GLU 67 74.423 9.655 2.863 480 1HG GLU 67 HG2 GLU 67 72.822 9.358 4.435 481 2HG GLU 67 HG1 GLU 67 74.009 9.227 5.732 482 H ASP 68 HN ASP 68 75.543 7.291 6.247 483 HA ASP 68 HA ASP 68 76.743 9.280 8.104 484 1HB ASP 68 HB2 ASP 68 75.823 6.919 9.463 485 2HB ASP 68 HB1 ASP 68 75.197 8.561 9.575 486 H GLY 69 HN GLY 69 77.563 6.453 6.413 487 1HA GLY 69 HA2 GLY 69 79.585 5.245 6.424 488 2HA GLY 69 HA1 GLY 69 80.179 6.353 7.662 489 H SER 70 HN SER 70 77.173 5.053 8.507 490 HA SER 70 HA SER 70 78.252 3.633 10.762 491 1HB SER 70 HB2 SER 70 75.941 2.907 11.146 492 2HB SER 70 HB1 SER 70 75.969 4.615 10.720 493 HG SER 70 HG SER 70 75.719 3.665 8.459 494 H GLY 71 HN GLY 71 77.782 2.755 7.470 495 1HA GLY 71 HA2 GLY 71 78.328 0.748 6.368 496 2HA GLY 71 HA1 GLY 71 78.954 0.143 7.902 497 H THR 72 HN THR 72 75.718 1.353 7.905 498 HA THR 72 HA THR 72 74.619 -1.398 7.596 499 HB THR 72 HB THR 72 73.106 -0.490 9.660 500 HG1 THR 72 HG1 THR 72 74.550 0.458 11.140 501 1HG2 THR 72 HG23 THR 72 75.763 -1.933 9.875 502 2HG2 THR 72 HG22 THR 72 74.486 -1.957 11.091 503 3HG2 THR 72 HG21 THR 72 74.210 -2.683 9.507 504 H ILE 73 HN ILE 73 72.202 -1.336 7.360 505 HA ILE 73 HA ILE 73 71.329 1.265 6.164 506 HB ILE 73 HB ILE 73 70.548 -1.551 5.351 507 1HG1 ILE 73 HG12 ILE 73 72.870 -0.711 4.715 508 2HG1 ILE 73 HG11 ILE 73 71.832 -1.159 3.361 509 1HG2 ILE 73 HG22 ILE 73 69.417 1.118 4.807 510 2HG2 ILE 73 HG21 ILE 73 69.714 0.144 3.366 511 3HG2 ILE 73 HG23 ILE 73 68.674 -0.472 4.650 512 1HD1 ILE 73 HD11 ILE 73 71.483 1.632 4.172 513 2HD1 ILE 73 HD13 ILE 73 73.132 1.275 3.658 514 3HD1 ILE 73 HD12 ILE 73 71.781 0.960 2.568 515 H ASP 74 HN ASP 74 69.319 2.024 6.794 516 HA ASP 74 HA ASP 74 67.825 0.334 8.763 517 1HB ASP 74 HB2 ASP 74 69.013 2.846 9.177 518 2HB ASP 74 HB1 ASP 74 67.290 3.180 8.999 519 H PHE 75 HN PHE 75 65.433 1.154 8.899 520 HA PHE 75 HA PHE 75 64.154 0.739 6.431 521 1HB PHE 75 HB2 PHE 75 63.167 0.765 8.833 522 2HB PHE 75 HB1 PHE 75 62.935 2.493 8.558 523 HD1 PHE 75 HD2 PHE 75 62.678 -0.399 6.202 524 HD2 PHE 75 HD1 PHE 75 60.639 2.815 8.185 525 HE1 PHE 75 HE2 PHE 75 60.633 -0.884 4.883 526 HE2 PHE 75 HE1 PHE 75 58.594 2.335 6.865 527 HZ PHE 75 HZ PHE 75 58.590 0.483 5.216 528 H GLU 76 HN GLU 76 64.852 3.853 8.046 529 HA GLU 76 HA GLU 76 63.722 5.548 6.086 530 1HB GLU 76 HB2 GLU 76 66.130 5.960 7.879 531 2HB GLU 76 HB1 GLU 76 65.400 7.242 6.913 532 1HG GLU 76 HG2 GLU 76 63.202 6.173 8.163 533 2HG GLU 76 HG1 GLU 76 64.442 5.994 9.405 534 H GLU 77 HN GLU 77 67.152 4.531 6.360 535 HA GLU 77 HA GLU 77 67.912 5.658 3.835 536 1HB GLU 77 HB2 GLU 77 69.178 3.326 5.307 537 2HB GLU 77 HB1 GLU 77 69.945 4.316 4.065 538 1HG GLU 77 HG2 GLU 77 70.153 6.156 5.463 539 2HG GLU 77 HG1 GLU 77 68.785 5.677 6.470 540 H PHE 78 HN PHE 78 66.061 2.892 4.610 541 HA PHE 78 HA PHE 78 66.773 1.205 2.390 542 1HB PHE 78 HB2 PHE 78 65.064 1.009 4.580 543 2HB PHE 78 HB1 PHE 78 63.970 1.031 3.196 544 HD1 PHE 78 HD2 PHE 78 64.154 -0.677 1.412 545 HD2 PHE 78 HD1 PHE 78 66.606 -0.813 4.936 546 HE1 PHE 78 HE2 PHE 78 64.747 -3.031 0.908 547 HE2 PHE 78 HE1 PHE 78 67.199 -3.170 4.433 548 HZ PHE 78 HZ PHE 78 66.271 -4.278 2.418 549 H LEU 79 HN LEU 79 63.843 3.217 2.841 550 HA LEU 79 HA LEU 79 62.832 3.081 0.250 551 1HB LEU 79 HB2 LEU 79 62.934 5.606 1.931 552 2HB LEU 79 HB1 LEU 79 61.766 5.234 0.662 553 HG LEU 79 HG LEU 79 62.113 3.687 3.251 554 1HD1 LEU 79 HD13 LEU 79 60.010 5.638 2.280 555 2HD1 LEU 79 HD12 LEU 79 59.779 4.568 3.666 556 3HD1 LEU 79 HD11 LEU 79 61.046 5.797 3.700 557 1HD2 LEU 79 HD21 LEU 79 60.139 3.385 0.963 558 2HD2 LEU 79 HD23 LEU 79 61.414 2.243 1.392 559 3HD2 LEU 79 HD22 LEU 79 60.060 2.505 2.490 560 H VAL 80 HN VAL 80 65.636 4.825 1.406 561 HA VAL 80 HA VAL 80 65.977 6.506 -0.920 562 HB VAL 80 HB VAL 80 67.850 5.574 1.265 563 1HG1 VAL 80 HG12 VAL 80 68.450 6.840 -1.324 564 2HG1 VAL 80 HG11 VAL 80 69.086 7.722 0.065 565 3HG1 VAL 80 HG13 VAL 80 69.533 6.034 -0.189 566 1HG2 VAL 80 HG23 VAL 80 66.055 7.853 0.780 567 2HG2 VAL 80 HG22 VAL 80 66.719 7.251 2.298 568 3HG2 VAL 80 HG21 VAL 80 67.678 8.328 1.282 569 H MET 81 HN MET 81 67.938 3.689 0.120 570 HA MET 81 HA MET 81 69.328 3.276 -2.256 571 1HB MET 81 HB2 MET 81 69.712 2.007 -0.154 572 2HB MET 81 HB1 MET 81 68.218 1.113 -0.445 573 1HG MET 81 HG2 MET 81 69.117 0.274 -2.570 574 2HG MET 81 HG1 MET 81 70.601 1.190 -2.313 575 1HE MET 81 HE3 MET 81 71.993 1.016 -0.164 576 2HE MET 81 HE2 MET 81 70.665 0.839 0.979 577 3HE MET 81 HE1 MET 81 71.978 -0.335 0.976 578 H MET 82 HN MET 82 65.971 2.590 -1.558 579 HA MET 82 HA MET 82 65.542 0.809 -3.794 580 1HB MET 82 HB2 MET 82 63.812 0.502 -2.334 581 2HB MET 82 HB1 MET 82 63.930 2.139 -1.700 582 1HG MET 82 HG2 MET 82 61.793 1.837 -2.856 583 2HG MET 82 HG1 MET 82 62.800 2.993 -3.729 584 1HE MET 82 HE2 MET 82 62.175 -0.731 -3.237 585 2HE MET 82 HE1 MET 82 62.576 -1.472 -4.784 586 3HE MET 82 HE3 MET 82 63.850 -0.773 -3.776 587 H VAL 83 HN VAL 83 64.578 4.225 -3.250 588 HA VAL 83 HA VAL 83 63.899 4.607 -6.041 589 HB VAL 83 HB VAL 83 64.519 6.788 -4.042 590 1HG1 VAL 83 HG12 VAL 83 63.710 6.802 -6.723 591 2HG1 VAL 83 HG11 VAL 83 62.231 7.109 -5.812 592 3HG1 VAL 83 HG13 VAL 83 63.632 8.158 -5.599 593 1HG2 VAL 83 HG21 VAL 83 62.263 4.841 -4.161 594 2HG2 VAL 83 HG23 VAL 83 62.956 5.673 -2.769 595 3HG2 VAL 83 HG22 VAL 83 61.847 6.526 -3.843 596 H ARG 84 HN ARG 84 66.843 4.261 -4.547 597 HA ARG 84 HA ARG 84 68.387 6.331 -5.798 598 1HB ARG 84 HB2 ARG 84 69.228 5.075 -3.870 599 2HB ARG 84 HB1 ARG 84 69.205 3.584 -4.812 600 1HG ARG 84 HG2 ARG 84 70.994 4.245 -6.155 601 2HG ARG 84 HG1 ARG 84 70.730 5.959 -5.833 602 1HD ARG 84 HD2 ARG 84 71.254 5.168 -3.327 603 2HD ARG 84 HD1 ARG 84 72.155 3.920 -4.187 604 HE ARG 84 HE ARG 84 73.045 6.587 -3.861 605 1HH1 ARG 84 HH21 ARG 84 72.217 6.886 -6.692 606 2HH1 ARG 84 HH22 ARG 84 73.610 6.330 -7.558 607 1HH2 ARG 84 HH11 ARG 84 74.997 4.719 -4.818 608 2HH2 ARG 84 HH12 ARG 84 75.183 5.102 -6.497 609 H GLN 85 HN GLN 85 67.190 3.224 -6.904 610 HA GLN 85 HA GLN 85 68.434 3.806 -9.554 611 1HB GLN 85 HB2 GLN 85 68.466 1.168 -8.068 612 2HB GLN 85 HB1 GLN 85 68.829 1.317 -9.788 613 1HG GLN 85 HG2 GLN 85 70.359 3.313 -8.521 614 2HG GLN 85 HG1 GLN 85 70.535 1.873 -7.517 615 1HE2 GLN 85 HE22 GLN 85 72.534 2.049 -10.974 616 2HE2 GLN 85 HE21 GLN 85 71.813 3.397 -10.236 617 H MET 86 HN MET 86 65.615 3.317 -7.887 618 HA MET 86 HA MET 86 64.256 1.607 -9.822 619 1HB MET 86 HB2 MET 86 62.412 1.737 -8.425 620 2HB MET 86 HB1 MET 86 63.691 2.113 -7.273 621 1HG MET 86 HG2 MET 86 63.294 4.566 -7.789 622 2HG MET 86 HG1 MET 86 61.868 4.067 -8.697 623 1HE MET 86 HE3 MET 86 60.460 2.236 -7.859 624 2HE MET 86 HE2 MET 86 59.739 2.182 -6.253 625 3HE MET 86 HE1 MET 86 59.394 3.541 -7.320 626 H LYS 87 HN LYS 87 64.583 5.080 -9.258 627 HA LYS 87 HA LYS 87 62.599 6.001 -11.066 628 1HB LYS 87 HB2 LYS 87 65.131 7.123 -9.942 629 2HB LYS 87 HB1 LYS 87 64.409 7.947 -11.324 630 1HG LYS 87 HG2 LYS 87 62.360 7.254 -9.410 631 2HG LYS 87 HG1 LYS 87 63.642 8.171 -8.618 632 1HD LYS 87 HD2 LYS 87 62.248 9.003 -11.180 633 2HD LYS 87 HD1 LYS 87 61.890 9.654 -9.579 634 1HE LYS 87 HE2 LYS 87 63.978 10.718 -9.405 635 2HE LYS 87 HE1 LYS 87 64.703 9.703 -10.651 636 1HZ LYS 87 HZ3 LYS 87 62.798 10.821 -12.072 637 2HZ LYS 87 HZ2 LYS 87 62.998 12.057 -10.924 638 3HZ LYS 87 HZ1 LYS 87 64.316 11.553 -11.872 639 H GLU 88 HN GLU 88 66.119 5.924 -11.749 640 HA GLU 88 HA GLU 88 65.887 6.217 -14.546 641 1HB GLU 88 HB2 GLU 88 67.976 5.890 -12.764 642 2HB GLU 88 HB1 GLU 88 68.057 4.415 -13.729 643 1HG GLU 88 HG2 GLU 88 69.319 5.835 -15.058 644 2HG GLU 88 HG1 GLU 88 67.717 6.119 -15.739 645 H ASP 89 HN ASP 89 67.037 4.092 -15.836 646 HA ASP 89 HA ASP 89 66.302 2.148 -16.946 647 1HB ASP 89 HB2 ASP 89 66.489 1.527 -14.038 648 2HB ASP 89 HB1 ASP 89 65.714 0.326 -15.073 649 H ALA 90 HN ALA 90 64.227 1.277 -14.308 650 HA ALA 90 HA ALA 90 61.898 1.003 -14.227 651 1HB ALA 90 HB1 ALA 90 62.121 3.537 -14.249 652 2HB ALA 90 HB3 ALA 90 61.822 3.465 -15.986 653 3HB ALA 90 HB2 ALA 90 60.586 2.913 -14.855 No H/Q in entry = 653 Start of MODEL 21 1 1H ALA 1 HT1 ALA 1 70.597 16.640 12.343 2 2H ALA 1 HT3 ALA 1 71.639 15.317 12.143 3 3H ALA 1 HT2 ALA 1 72.144 16.872 11.683 4 HA ALA 1 HA ALA 1 71.009 16.852 9.747 5 1HB ALA 1 HB2 ALA 1 71.343 13.929 10.471 6 2HB ALA 1 HB1 ALA 1 70.901 14.482 8.856 7 3HB ALA 1 HB3 ALA 1 72.458 14.938 9.549 8 H SER 2 HN SER 2 69.403 14.834 12.175 9 HA SER 2 HA SER 2 67.117 14.466 12.559 10 1HB SER 2 HB2 SER 2 67.244 17.049 11.126 11 2HB SER 2 HB1 SER 2 65.694 16.219 11.013 12 HG SER 2 HG SER 2 67.002 16.388 13.492 13 H MET 3 HN MET 3 66.477 15.678 9.323 14 HA MET 3 HA MET 3 66.058 12.853 8.425 15 1HB MET 3 HB2 MET 3 64.260 15.225 8.326 16 2HB MET 3 HB1 MET 3 64.272 14.184 6.904 17 1HG MET 3 HG2 MET 3 63.316 12.426 8.014 18 2HG MET 3 HG1 MET 3 64.149 12.796 9.525 19 1HE MET 3 HE1 MET 3 61.315 11.794 9.575 20 2HE MET 3 HE3 MET 3 62.129 12.373 11.035 21 3HE MET 3 HE2 MET 3 60.491 12.905 10.668 22 H THR 4 HN THR 4 67.808 12.574 7.076 23 HA THR 4 HA THR 4 69.043 14.627 5.529 24 HB THR 4 HB THR 4 69.768 12.507 4.116 25 HG1 THR 4 HG1 THR 4 69.629 10.753 5.860 26 1HG2 THR 4 HG23 THR 4 70.509 13.359 6.885 27 2HG2 THR 4 HG22 THR 4 71.238 11.890 6.238 28 3HG2 THR 4 HG21 THR 4 71.458 13.426 5.401 29 H ASP 5 HN ASP 5 68.824 15.145 3.298 30 HA ASP 5 HA ASP 5 66.150 15.104 2.268 31 1HB ASP 5 HB2 ASP 5 68.698 15.536 0.683 32 2HB ASP 5 HB1 ASP 5 67.083 16.122 0.283 33 H GLN 6 HN GLN 6 68.692 12.784 2.159 34 HA GLN 6 HA GLN 6 68.152 11.456 -0.286 35 1HB GLN 6 HB2 GLN 6 69.280 10.616 2.361 36 2HB GLN 6 HB1 GLN 6 68.867 9.368 1.187 37 1HG GLN 6 HG2 GLN 6 70.177 11.147 -0.410 38 2HG GLN 6 HG1 GLN 6 71.034 11.378 1.115 39 1HE2 GLN 6 HE22 GLN 6 72.095 7.872 1.209 40 2HE2 GLN 6 HE21 GLN 6 71.428 9.034 2.253 41 H GLN 7 HN GLN 7 66.830 10.713 2.965 42 HA GLN 7 HA GLN 7 64.850 8.891 1.834 43 1HB GLN 7 HB2 GLN 7 64.816 10.085 4.612 44 2HB GLN 7 HB1 GLN 7 64.130 8.549 4.082 45 1HG GLN 7 HG2 GLN 7 66.215 7.509 3.945 46 2HG GLN 7 HG1 GLN 7 67.076 9.037 3.758 47 1HE2 GLN 7 HE22 GLN 7 67.785 8.104 7.229 48 2HE2 GLN 7 HE21 GLN 7 68.276 7.671 5.662 49 H ALA 8 HN ALA 8 65.057 12.277 2.333 50 HA ALA 8 HA ALA 8 62.241 12.814 2.708 51 1HB ALA 8 HB3 ALA 8 64.269 14.377 3.139 52 2HB ALA 8 HB2 ALA 8 64.180 14.726 1.412 53 3HB ALA 8 HB1 ALA 8 62.808 15.092 2.458 54 H GLU 9 HN GLU 9 64.347 12.497 -0.120 55 HA GLU 9 HA GLU 9 62.170 13.255 -1.949 56 1HB GLU 9 HB2 GLU 9 64.913 13.373 -2.131 57 2HB GLU 9 HB1 GLU 9 64.543 11.942 -3.095 58 1HG GLU 9 HG2 GLU 9 62.629 13.552 -4.048 59 2HG GLU 9 HG1 GLU 9 63.786 14.791 -3.561 60 H ALA 10 HN ALA 10 63.972 10.307 -1.076 61 HA ALA 10 HA ALA 10 62.697 8.547 -2.906 62 1HB ALA 10 HB2 ALA 10 64.630 8.270 -0.984 63 2HB ALA 10 HB1 ALA 10 63.277 7.417 -0.241 64 3HB ALA 10 HB3 ALA 10 63.867 6.920 -1.826 65 H ARG 11 HN ARG 11 61.939 8.910 0.581 66 HA ARG 11 HA ARG 11 59.517 7.454 0.520 67 1HB ARG 11 HB2 ARG 11 60.838 8.408 2.543 68 2HB ARG 11 HB1 ARG 11 59.889 9.873 2.283 69 1HG ARG 11 HG2 ARG 11 57.818 8.660 2.574 70 2HG ARG 11 HG1 ARG 11 58.673 7.117 2.618 71 1HD ARG 11 HD2 ARG 11 58.555 7.426 4.880 72 2HD ARG 11 HD1 ARG 11 59.972 8.437 4.602 73 HE ARG 11 HE ARG 11 57.667 10.055 4.232 74 1HH1 ARG 11 HH21 ARG 11 59.923 10.782 6.047 75 2HH1 ARG 11 HH22 ARG 11 59.173 10.725 7.608 76 1HH2 ARG 11 HH11 ARG 11 56.432 8.901 6.519 77 2HH2 ARG 11 HH12 ARG 11 57.198 9.660 7.876 78 H ALA 12 HN ALA 12 60.218 10.724 -0.509 79 HA ALA 12 HA ALA 12 57.476 11.644 -0.550 80 1HB ALA 12 HB3 ALA 12 60.101 12.637 -1.408 81 2HB ALA 12 HB2 ALA 12 58.793 13.113 -2.491 82 3HB ALA 12 HB1 ALA 12 58.716 13.527 -0.779 83 H PHE 13 HN PHE 13 59.572 10.000 -2.881 84 HA PHE 13 HA PHE 13 57.499 10.157 -4.973 85 1HB PHE 13 HB2 PHE 13 59.784 10.332 -5.734 86 2HB PHE 13 HB1 PHE 13 60.234 8.855 -4.880 87 HD1 PHE 13 HD2 PHE 13 59.523 6.653 -5.695 88 HD2 PHE 13 HD1 PHE 13 58.499 10.253 -7.803 89 HE1 PHE 13 HE2 PHE 13 58.882 5.308 -7.679 90 HE2 PHE 13 HE1 PHE 13 57.859 8.909 -9.787 91 HZ PHE 13 HZ PHE 13 58.051 6.437 -9.725 92 H LEU 14 HN LEU 14 58.318 8.103 -2.373 93 HA LEU 14 HA LEU 14 57.209 5.674 -3.617 94 1HB LEU 14 HB2 LEU 14 58.116 6.243 -0.777 95 2HB LEU 14 HB1 LEU 14 57.621 4.661 -1.382 96 HG LEU 14 HG LEU 14 59.844 6.275 -2.651 97 1HD1 LEU 14 HD11 LEU 14 60.054 5.427 -0.123 98 2HD1 LEU 14 HD13 LEU 14 60.407 3.900 -0.930 99 3HD1 LEU 14 HD12 LEU 14 61.407 5.316 -1.249 100 1HD2 LEU 14 HD23 LEU 14 58.508 3.710 -3.145 101 2HD2 LEU 14 HD22 LEU 14 59.537 4.661 -4.216 102 3HD2 LEU 14 HD21 LEU 14 60.262 3.562 -3.042 103 H SER 15 HN SER 15 55.221 4.717 -2.983 104 HA SER 15 HA SER 15 53.292 6.648 -1.800 105 1HB SER 15 HB2 SER 15 52.577 4.002 -3.056 106 2HB SER 15 HB1 SER 15 51.581 5.446 -2.897 107 HG SER 15 HG SER 15 52.437 5.162 -5.019 108 H GLU 16 HN GLU 16 52.217 6.188 0.113 109 HA GLU 16 HA GLU 16 53.365 4.478 2.030 110 1HB GLU 16 HB2 GLU 16 51.527 6.364 2.233 111 2HB GLU 16 HB1 GLU 16 50.413 5.003 2.103 112 1HG GLU 16 HG2 GLU 16 51.912 3.908 3.935 113 2HG GLU 16 HG1 GLU 16 52.472 5.554 4.229 114 H GLU 17 HN GLU 17 51.290 3.694 -0.616 115 HA GLU 17 HA GLU 17 50.113 1.294 0.427 116 1HB GLU 17 HB2 GLU 17 50.268 2.662 -2.121 117 2HB GLU 17 HB1 GLU 17 50.499 0.927 -2.339 118 1HG GLU 17 HG2 GLU 17 48.336 0.487 -1.871 119 2HG GLU 17 HG1 GLU 17 48.368 1.510 -0.433 120 H MET 18 HN MET 18 53.059 1.826 -1.533 121 HA MET 18 HA MET 18 53.799 -1.004 -1.304 122 1HB MET 18 HB2 MET 18 54.511 1.172 -2.990 123 2HB MET 18 HB1 MET 18 55.983 0.651 -2.171 124 1HG MET 18 HG2 MET 18 56.076 -1.251 -3.379 125 2HG MET 18 HG1 MET 18 54.388 -1.625 -3.031 126 1HE MET 18 HE2 MET 18 57.008 -0.458 -5.032 127 2HE MET 18 HE1 MET 18 56.391 -0.271 -6.672 128 3HE MET 18 HE3 MET 18 56.417 1.113 -5.571 129 H ILE 19 HN ILE 19 55.149 2.097 -0.134 130 HA ILE 19 HA ILE 19 57.322 1.208 1.331 131 HB ILE 19 HB ILE 19 55.284 3.249 2.273 132 1HG1 ILE 19 HG12 ILE 19 57.688 3.430 0.437 133 2HG1 ILE 19 HG11 ILE 19 56.016 3.848 0.061 134 1HG2 ILE 19 HG22 ILE 19 56.944 2.481 3.987 135 2HG2 ILE 19 HG21 ILE 19 58.241 2.977 2.900 136 3HG2 ILE 19 HG23 ILE 19 57.132 4.182 3.557 137 1HD1 ILE 19 HD13 ILE 19 56.673 5.354 2.350 138 2HD1 ILE 19 HD12 ILE 19 58.067 5.487 1.279 139 3HD1 ILE 19 HD11 ILE 19 56.468 5.957 0.705 140 H ALA 20 HN ALA 20 53.907 1.091 2.345 141 HA ALA 20 HA ALA 20 54.275 0.171 4.984 142 1HB ALA 20 HB3 ALA 20 52.087 0.776 3.751 143 2HB ALA 20 HB2 ALA 20 52.095 -0.896 3.189 144 3HB ALA 20 HB1 ALA 20 52.020 -0.547 4.916 145 H GLU 21 HN GLU 21 53.704 -1.869 2.089 146 HA GLU 21 HA GLU 21 54.281 -4.329 3.442 147 1HB GLU 21 HB2 GLU 21 54.059 -3.469 0.582 148 2HB GLU 21 HB1 GLU 21 54.782 -5.039 0.936 149 1HG GLU 21 HG2 GLU 21 52.648 -5.240 2.533 150 2HG GLU 21 HG1 GLU 21 51.980 -4.100 1.364 151 H PHE 22 HN PHE 22 56.330 -1.834 2.247 152 HA PHE 22 HA PHE 22 58.670 -3.454 1.738 153 1HB PHE 22 HB2 PHE 22 58.058 -0.558 1.990 154 2HB PHE 22 HB1 PHE 22 59.723 -1.033 2.322 155 HD1 PHE 22 HD1 PHE 22 57.407 -2.774 0.003 156 HD2 PHE 22 HD2 PHE 22 60.785 -0.144 0.363 157 HE1 PHE 22 HE1 PHE 22 57.833 -2.987 -2.432 158 HE2 PHE 22 HE2 PHE 22 61.211 -0.358 -2.071 159 HZ PHE 22 HZ PHE 22 59.735 -1.779 -3.468 160 H LYS 23 HN LYS 23 57.467 -1.668 4.568 161 HA LYS 23 HA LYS 23 59.769 -2.114 6.214 162 1HB LYS 23 HB2 LYS 23 57.567 -0.615 6.522 163 2HB LYS 23 HB1 LYS 23 57.070 -2.014 7.477 164 1HG LYS 23 HG2 LYS 23 59.839 -1.145 7.976 165 2HG LYS 23 HG1 LYS 23 58.620 0.047 8.427 166 1HD LYS 23 HD2 LYS 23 57.420 -2.053 9.499 167 2HD LYS 23 HD1 LYS 23 59.055 -2.714 9.502 168 1HE LYS 23 HE2 LYS 23 59.559 -1.490 11.318 169 2HE LYS 23 HE1 LYS 23 59.185 -0.012 10.432 170 1HZ LYS 23 HZ3 LYS 23 56.972 -1.634 11.466 171 2HZ LYS 23 HZ2 LYS 23 57.848 -0.667 12.555 172 3HZ LYS 23 HZ1 LYS 23 57.061 0.043 11.226 173 H ALA 24 HN ALA 24 57.093 -4.150 5.304 174 HA ALA 24 HA ALA 24 57.266 -6.031 7.469 175 1HB ALA 24 HB1 ALA 24 55.560 -5.718 5.381 176 2HB ALA 24 HB3 ALA 24 56.537 -7.060 4.782 177 3HB ALA 24 HB2 ALA 24 55.678 -7.209 6.316 178 H ALA 25 HN ALA 25 58.846 -5.872 4.280 179 HA ALA 25 HA ALA 25 60.310 -8.357 4.719 180 1HB ALA 25 HB1 ALA 25 59.640 -7.130 2.468 181 2HB ALA 25 HB3 ALA 25 61.182 -6.310 2.712 182 3HB ALA 25 HB2 ALA 25 61.131 -8.066 2.566 183 H PHE 26 HN PHE 26 60.824 -4.974 5.405 184 HA PHE 26 HA PHE 26 63.651 -4.926 5.584 185 1HB PHE 26 HB2 PHE 26 62.435 -2.861 5.719 186 2HB PHE 26 HB1 PHE 26 61.509 -3.428 7.109 187 HD1 PHE 26 HD1 PHE 26 65.084 -3.027 6.060 188 HD2 PHE 26 HD2 PHE 26 62.188 -2.731 9.207 189 HE1 PHE 26 HE1 PHE 26 66.838 -2.150 7.584 190 HE2 PHE 26 HE2 PHE 26 63.936 -1.853 10.739 191 HZ PHE 26 HZ PHE 26 66.262 -1.563 9.925 192 H ASP 27 HN ASP 27 61.351 -5.277 8.318 193 HA ASP 27 HA ASP 27 63.252 -6.036 10.254 194 1HB ASP 27 HB2 ASP 27 61.218 -7.356 11.240 195 2HB ASP 27 HB1 ASP 27 61.110 -5.600 11.108 196 H MET 28 HN MET 28 62.066 -7.802 7.540 197 HA MET 28 HA MET 28 62.427 -10.477 8.445 198 1HB MET 28 HB2 MET 28 61.739 -9.244 6.044 199 2HB MET 28 HB1 MET 28 63.255 -10.065 5.675 200 1HG MET 28 HG2 MET 28 61.234 -11.584 7.255 201 2HG MET 28 HG1 MET 28 60.897 -11.330 5.543 202 1HE MET 28 HE2 MET 28 62.687 -11.277 3.934 203 2HE MET 28 HE1 MET 28 64.358 -11.481 4.453 204 3HE MET 28 HE3 MET 28 63.538 -12.778 3.572 205 H PHE 29 HN PHE 29 64.722 -8.329 6.724 206 HA PHE 29 HA PHE 29 66.915 -10.225 7.177 207 1HB PHE 29 HB2 PHE 29 67.184 -7.371 6.218 208 2HB PHE 29 HB1 PHE 29 68.251 -8.737 5.891 209 HD1 PHE 29 HD1 PHE 29 67.605 -10.494 4.296 210 HD2 PHE 29 HD2 PHE 29 65.083 -7.095 5.026 211 HE1 PHE 29 HE1 PHE 29 66.295 -11.029 2.259 212 HE2 PHE 29 HE2 PHE 29 63.773 -7.629 2.989 213 HZ PHE 29 HZ PHE 29 64.379 -9.597 1.605 214 H ASP 30 HN ASP 30 65.573 -7.427 8.754 215 HA ASP 30 HA ASP 30 67.884 -7.466 10.656 216 1HB ASP 30 HB2 ASP 30 67.841 -5.332 9.517 217 2HB ASP 30 HB1 ASP 30 66.111 -5.160 9.807 218 H ALA 31 HN ALA 31 66.166 -9.317 11.324 219 HA ALA 31 HA ALA 31 63.737 -8.748 12.579 220 1HB ALA 31 HB1 ALA 31 65.886 -10.771 13.048 221 2HB ALA 31 HB3 ALA 31 64.630 -10.608 14.274 222 3HB ALA 31 HB2 ALA 31 64.194 -11.014 12.615 223 H ASP 32 HN ASP 32 66.675 -9.220 14.556 224 HA ASP 32 HA ASP 32 65.582 -7.300 16.519 225 1HB ASP 32 HB2 ASP 32 66.483 -9.328 17.457 226 2HB ASP 32 HB1 ASP 32 67.987 -9.143 16.555 227 H GLY 33 HN GLY 33 69.041 -7.566 16.129 228 1HA GLY 33 HA2 GLY 33 70.627 -5.876 15.791 229 2HA GLY 33 HA1 GLY 33 69.650 -5.499 14.371 230 H GLY 34 HN GLY 34 70.652 -3.312 15.244 231 1HA GLY 34 HA2 GLY 34 69.047 -2.112 17.408 232 2HA GLY 34 HA1 GLY 34 70.360 -1.321 16.536 233 H GLY 35 HN GLY 35 67.986 -2.952 14.630 234 1HA GLY 35 HA2 GLY 35 65.964 -2.024 13.661 235 2HA GLY 35 HA1 GLY 35 66.496 -0.419 14.169 236 H ASP 36 HN ASP 36 68.475 -2.833 12.492 237 HA ASP 36 HA ASP 36 68.190 -1.561 9.893 238 1HB ASP 36 HB2 ASP 36 70.780 -1.009 9.960 239 2HB ASP 36 HB1 ASP 36 69.603 0.163 10.555 240 H ILE 37 HN ILE 37 69.219 -2.807 8.255 241 HA ILE 37 HA ILE 37 70.332 -5.392 9.248 242 HB ILE 37 HB ILE 37 68.608 -6.156 7.986 243 1HG1 ILE 37 HG12 ILE 37 70.830 -6.573 6.655 244 2HG1 ILE 37 HG11 ILE 37 69.286 -6.935 5.897 245 1HG2 ILE 37 HG23 ILE 37 68.764 -3.634 6.316 246 2HG2 ILE 37 HG22 ILE 37 67.524 -4.881 6.166 247 3HG2 ILE 37 HG21 ILE 37 67.645 -3.931 7.648 248 1HD1 ILE 37 HD12 ILE 37 69.327 -4.678 4.821 249 2HD1 ILE 37 HD11 ILE 37 70.936 -4.420 5.491 250 3HD1 ILE 37 HD13 ILE 37 70.667 -5.704 4.315 251 H SER 38 HN SER 38 72.115 -6.307 8.026 252 HA SER 38 HA SER 38 74.145 -4.338 7.419 253 1HB SER 38 HB2 SER 38 73.987 -7.222 7.731 254 2HB SER 38 HB1 SER 38 74.992 -6.791 6.350 255 HG SER 38 HG SER 38 75.262 -6.075 9.066 256 H THR 39 HN THR 39 74.823 -3.576 5.428 257 HA THR 39 HA THR 39 73.056 -3.612 3.208 258 HB THR 39 HB THR 39 74.844 -2.568 1.960 259 HG1 THR 39 HG1 THR 39 76.478 -3.705 3.971 260 1HG2 THR 39 HG21 THR 39 74.349 -1.856 4.768 261 2HG2 THR 39 HG23 THR 39 75.852 -1.196 4.121 262 3HG2 THR 39 HG22 THR 39 74.320 -0.840 3.325 263 H LYS 40 HN LYS 40 75.579 -5.839 4.171 264 HA LYS 40 HA LYS 40 76.077 -7.150 1.715 265 1HB LYS 40 HB2 LYS 40 75.854 -8.486 4.428 266 2HB LYS 40 HB1 LYS 40 76.785 -9.052 3.041 267 1HG LYS 40 HG2 LYS 40 77.674 -6.436 3.432 268 2HG LYS 40 HG1 LYS 40 77.507 -7.083 5.064 269 1HD LYS 40 HD2 LYS 40 78.667 -9.156 3.550 270 2HD LYS 40 HD1 LYS 40 79.516 -7.687 3.068 271 1HE LYS 40 HE2 LYS 40 80.742 -7.980 4.950 272 2HE LYS 40 HE1 LYS 40 79.318 -7.390 5.807 273 1HZ LYS 40 HZ1 LYS 40 79.261 -10.196 5.094 274 2HZ LYS 40 HZ3 LYS 40 80.443 -9.775 6.234 275 3HZ LYS 40 HZ2 LYS 40 78.808 -9.432 6.542 276 H ALA 41 HN ALA 41 73.504 -7.717 4.118 277 HA ALA 41 HA ALA 41 72.279 -9.839 2.543 278 1HB ALA 41 HB3 ALA 41 72.090 -9.475 5.089 279 2HB ALA 41 HB2 ALA 41 70.911 -8.223 4.700 280 3HB ALA 41 HB1 ALA 41 70.608 -9.895 4.232 281 H LEU 42 HN LEU 42 72.197 -6.401 2.508 282 HA LEU 42 HA LEU 42 69.594 -5.867 1.555 283 1HB LEU 42 HB2 LEU 42 71.854 -4.370 1.981 284 2HB LEU 42 HB1 LEU 42 71.740 -4.344 0.221 285 HG LEU 42 HG LEU 42 69.472 -3.494 0.321 286 1HD1 LEU 42 HD12 LEU 42 69.580 -4.601 2.972 287 2HD1 LEU 42 HD11 LEU 42 69.139 -2.897 3.078 288 3HD1 LEU 42 HD13 LEU 42 68.176 -3.997 2.092 289 1HD2 LEU 42 HD23 LEU 42 71.608 -2.016 0.854 290 2HD2 LEU 42 HD22 LEU 42 69.988 -1.327 0.972 291 3HD2 LEU 42 HD21 LEU 42 70.830 -1.857 2.429 292 H GLY 43 HN GLY 43 72.510 -6.830 -0.265 293 1HA GLY 43 HA2 GLY 43 71.588 -6.634 -2.881 294 2HA GLY 43 HA1 GLY 43 72.634 -7.949 -2.337 295 H THR 44 HN THR 44 70.899 -9.240 -0.552 296 HA THR 44 HA THR 44 69.223 -10.711 -2.419 297 HB THR 44 HB THR 44 69.634 -10.863 0.574 298 HG1 THR 44 HG1 THR 44 71.295 -11.822 -0.368 299 1HG2 THR 44 HG21 THR 44 67.704 -12.326 -1.214 300 2HG2 THR 44 HG23 THR 44 68.364 -13.109 0.222 301 3HG2 THR 44 HG22 THR 44 67.422 -11.626 0.380 302 H VAL 45 HN VAL 45 68.706 -8.226 0.027 303 HA VAL 45 HA VAL 45 65.899 -8.458 0.333 304 HB VAL 45 HB VAL 45 67.706 -6.027 0.385 305 1HG1 VAL 45 HG11 VAL 45 64.783 -6.317 1.133 306 2HG1 VAL 45 HG13 VAL 45 65.789 -4.944 1.596 307 3HG1 VAL 45 HG12 VAL 45 65.457 -5.260 -0.107 308 1HG2 VAL 45 HG22 VAL 45 67.088 -8.181 2.215 309 2HG2 VAL 45 HG21 VAL 45 68.257 -6.875 2.401 310 3HG2 VAL 45 HG23 VAL 45 66.582 -6.639 2.903 311 H MET 46 HN MET 46 67.787 -6.632 -2.080 312 HA MET 46 HA MET 46 65.581 -5.457 -3.435 313 1HB MET 46 HB2 MET 46 68.247 -6.362 -4.568 314 2HB MET 46 HB1 MET 46 67.125 -5.253 -5.359 315 1HG MET 46 HG2 MET 46 67.349 -3.660 -3.517 316 2HG MET 46 HG1 MET 46 68.394 -4.780 -2.645 317 1HE MET 46 HE1 MET 46 67.814 -2.312 -5.308 318 2HE MET 46 HE3 MET 46 69.284 -2.197 -6.287 319 3HE MET 46 HE2 MET 46 68.190 -3.563 -6.492 320 H ARG 47 HN ARG 47 67.368 -8.453 -4.268 321 HA ARG 47 HA ARG 47 65.866 -9.317 -6.435 322 1HB ARG 47 HB2 ARG 47 67.841 -10.502 -5.356 323 2HB ARG 47 HB1 ARG 47 66.698 -11.168 -4.189 324 1HG ARG 47 HG2 ARG 47 65.426 -12.231 -5.972 325 2HG ARG 47 HG1 ARG 47 66.448 -11.474 -7.195 326 1HD ARG 47 HD2 ARG 47 68.415 -12.677 -6.250 327 2HD ARG 47 HD1 ARG 47 67.339 -13.490 -5.113 328 HE ARG 47 HE ARG 47 67.226 -13.858 -8.078 329 1HH1 ARG 47 HH11 ARG 47 65.074 -14.453 -5.749 330 2HH1 ARG 47 HH12 ARG 47 65.171 -16.183 -5.767 331 1HH2 ARG 47 HH21 ARG 47 68.037 -16.265 -7.718 332 2HH2 ARG 47 HH22 ARG 47 66.849 -17.209 -6.882 333 H MET 48 HN MET 48 64.969 -9.437 -3.014 334 HA MET 48 HA MET 48 62.580 -11.019 -3.435 335 1HB MET 48 HB2 MET 48 63.927 -9.716 -1.207 336 2HB MET 48 HB1 MET 48 62.179 -9.486 -1.128 337 1HG MET 48 HG2 MET 48 62.663 -12.189 -1.906 338 2HG MET 48 HG1 MET 48 63.678 -11.841 -0.505 339 1HE MET 48 HE3 MET 48 63.298 -11.606 1.416 340 2HE MET 48 HE2 MET 48 61.961 -10.722 2.149 341 3HE MET 48 HE1 MET 48 61.967 -12.483 2.181 342 H LEU 49 HN LEU 49 62.853 -7.575 -2.462 343 HA LEU 49 HA LEU 49 60.242 -6.776 -2.900 344 1HB LEU 49 HB2 LEU 49 62.526 -5.080 -3.907 345 2HB LEU 49 HB1 LEU 49 61.029 -4.557 -3.137 346 HG LEU 49 HG LEU 49 63.414 -5.899 -1.860 347 1HD1 LEU 49 HD12 LEU 49 61.893 -3.318 -1.467 348 2HD1 LEU 49 HD11 LEU 49 63.015 -3.940 -0.257 349 3HD1 LEU 49 HD13 LEU 49 63.598 -3.526 -1.869 350 1HD2 LEU 49 HD22 LEU 49 60.541 -5.835 -0.994 351 2HD2 LEU 49 HD21 LEU 49 61.734 -7.119 -0.806 352 3HD2 LEU 49 HD23 LEU 49 61.802 -5.696 0.232 353 H GLY 50 HN GLY 50 62.698 -6.172 -5.432 354 1HA GLY 50 HA2 GLY 50 60.630 -6.973 -7.439 355 2HA GLY 50 HA1 GLY 50 61.622 -5.534 -7.666 356 H GLN 51 HN GLN 51 63.793 -5.778 -8.309 357 HA GLN 51 HA GLN 51 64.587 -8.577 -9.011 358 1HB GLN 51 HB2 GLN 51 65.817 -7.587 -10.930 359 2HB GLN 51 HB1 GLN 51 64.086 -7.255 -11.019 360 1HG GLN 51 HG2 GLN 51 65.637 -5.242 -9.520 361 2HG GLN 51 HG1 GLN 51 66.032 -5.340 -11.235 362 1HE2 GLN 51 HE22 GLN 51 63.184 -2.993 -11.031 363 2HE2 GLN 51 HE21 GLN 51 64.821 -3.005 -10.582 364 H ASN 52 HN ASN 52 67.233 -7.952 -9.774 365 HA ASN 52 HA ASN 52 68.439 -6.624 -7.419 366 1HB ASN 52 HB2 ASN 52 69.960 -8.570 -7.055 367 2HB ASN 52 HB1 ASN 52 68.269 -8.965 -6.738 368 1HD2 ASN 52 HD22 ASN 52 70.197 -10.710 -9.894 369 2HD2 ASN 52 HD21 ASN 52 70.928 -9.430 -9.050 370 HA PRO 53 HA PRO 53 71.039 -5.348 -10.796 371 1HB PRO 53 HB2 PRO 53 72.666 -3.725 -9.287 372 2HB PRO 53 HB1 PRO 53 71.045 -3.256 -9.828 373 1HG PRO 53 HG2 PRO 53 71.950 -4.071 -7.107 374 2HG PRO 53 HG1 PRO 53 70.591 -3.035 -7.574 375 1HD PRO 53 HD2 PRO 53 70.414 -5.749 -6.782 376 2HD PRO 53 HD1 PRO 53 69.128 -4.800 -7.558 377 H THR 54 HN THR 54 73.673 -4.995 -10.823 378 HA THR 54 HA THR 54 74.756 -7.650 -10.244 379 HB THR 54 HB THR 54 76.870 -6.626 -11.229 380 HG1 THR 54 HG1 THR 54 76.880 -4.567 -11.576 381 1HG2 THR 54 HG22 THR 54 74.488 -7.478 -12.437 382 2HG2 THR 54 HG21 THR 54 74.940 -6.012 -13.307 383 3HG2 THR 54 HG23 THR 54 76.073 -7.360 -13.202 384 H LYS 55 HN LYS 55 76.281 -8.150 -8.662 385 HA LYS 55 HA LYS 55 76.293 -6.869 -6.204 386 1HB LYS 55 HB2 LYS 55 77.344 -9.097 -6.715 387 2HB LYS 55 HB1 LYS 55 78.720 -8.234 -7.401 388 1HG LYS 55 HG2 LYS 55 78.857 -6.995 -5.154 389 2HG LYS 55 HG1 LYS 55 77.760 -8.232 -4.537 390 1HD LYS 55 HD2 LYS 55 79.547 -9.840 -5.729 391 2HD LYS 55 HD1 LYS 55 80.609 -8.475 -5.381 392 1HE LYS 55 HE2 LYS 55 79.537 -8.575 -2.997 393 2HE LYS 55 HE1 LYS 55 79.081 -10.216 -3.460 394 1HZ LYS 55 HZ2 LYS 55 81.850 -9.227 -3.772 395 2HZ LYS 55 HZ1 LYS 55 81.308 -9.903 -2.311 396 3HZ LYS 55 HZ3 LYS 55 81.298 -10.834 -3.728 397 H GLU 56 HN GLU 56 78.168 -6.029 -9.060 398 HA GLU 56 HA GLU 56 80.069 -4.294 -7.863 399 1HB GLU 56 HB2 GLU 56 79.074 -4.844 -10.532 400 2HB GLU 56 HB1 GLU 56 79.350 -3.116 -10.314 401 1HG GLU 56 HG2 GLU 56 81.461 -4.877 -9.217 402 2HG GLU 56 HG1 GLU 56 81.315 -4.880 -10.975 403 H GLU 57 HN GLU 57 76.986 -3.347 -9.441 404 HA GLU 57 HA GLU 57 77.051 -0.663 -8.454 405 1HB GLU 57 HB2 GLU 57 75.247 -2.326 -9.979 406 2HB GLU 57 HB1 GLU 57 74.343 -1.408 -8.775 407 1HG GLU 57 HG2 GLU 57 76.424 -0.096 -10.524 408 2HG GLU 57 HG1 GLU 57 74.748 -0.264 -11.048 409 H LEU 58 HN LEU 58 76.268 -3.651 -6.928 410 HA LEU 58 HA LEU 58 74.444 -2.684 -4.933 411 1HB LEU 58 HB2 LEU 58 75.387 -5.148 -5.615 412 2HB LEU 58 HB1 LEU 58 76.310 -4.844 -4.144 413 HG LEU 58 HG LEU 58 73.814 -3.997 -3.398 414 1HD1 LEU 58 HD11 LEU 58 73.378 -5.389 -5.781 415 2HD1 LEU 58 HD13 LEU 58 72.992 -6.558 -4.519 416 3HD1 LEU 58 HD12 LEU 58 72.163 -5.002 -4.563 417 1HD2 LEU 58 HD23 LEU 58 75.586 -5.741 -2.457 418 2HD2 LEU 58 HD22 LEU 58 73.910 -5.779 -1.912 419 3HD2 LEU 58 HD21 LEU 58 74.461 -6.911 -3.147 420 H ASP 59 HN ASP 59 77.956 -3.377 -4.672 421 HA ASP 59 HA ASP 59 78.298 -2.243 -2.098 422 1HB ASP 59 HB2 ASP 59 80.006 -3.143 -4.270 423 2HB ASP 59 HB1 ASP 59 80.674 -1.710 -3.488 424 H ALA 60 HN ALA 60 78.849 -0.714 -5.294 425 HA ALA 60 HA ALA 60 79.517 1.862 -4.352 426 1HB ALA 60 HB2 ALA 60 78.535 0.702 -6.868 427 2HB ALA 60 HB1 ALA 60 78.046 2.379 -6.633 428 3HB ALA 60 HB3 ALA 60 79.756 1.947 -6.608 429 H ILE 61 HN ILE 61 76.390 0.287 -4.669 430 HA ILE 61 HA ILE 61 74.770 2.629 -4.288 431 HB ILE 61 HB ILE 61 74.376 -0.331 -4.113 432 1HG1 ILE 61 HG12 ILE 61 73.008 1.979 -5.517 433 2HG1 ILE 61 HG11 ILE 61 74.070 0.772 -6.243 434 1HG2 ILE 61 HG23 ILE 61 73.249 0.586 -2.065 435 2HG2 ILE 61 HG22 ILE 61 72.294 1.635 -3.114 436 3HG2 ILE 61 HG21 ILE 61 72.126 -0.117 -3.229 437 1HD1 ILE 61 HD12 ILE 61 71.428 0.130 -4.903 438 2HD1 ILE 61 HD11 ILE 61 71.641 0.310 -6.643 439 3HD1 ILE 61 HD13 ILE 61 72.462 -0.994 -5.786 440 H ILE 62 HN ILE 62 76.164 0.255 -2.030 441 HA ILE 62 HA ILE 62 74.958 1.312 0.337 442 HB ILE 62 HB ILE 62 77.663 -0.038 0.096 443 1HG1 ILE 62 HG12 ILE 62 74.943 -1.306 0.543 444 2HG1 ILE 62 HG11 ILE 62 75.769 -1.281 -1.017 445 1HG2 ILE 62 HG23 ILE 62 75.813 0.666 2.327 446 2HG2 ILE 62 HG22 ILE 62 76.639 -0.890 2.422 447 3HG2 ILE 62 HG21 ILE 62 77.574 0.600 2.307 448 1HD1 ILE 62 HD12 ILE 62 77.336 -2.258 1.321 449 2HD1 ILE 62 HD11 ILE 62 76.057 -3.313 0.720 450 3HD1 ILE 62 HD13 ILE 62 77.359 -2.804 -0.356 451 H GLU 63 HN GLU 63 77.881 2.197 -1.444 452 HA GLU 63 HA GLU 63 78.960 3.956 0.558 453 1HB GLU 63 HB2 GLU 63 79.552 3.213 -2.181 454 2HB GLU 63 HB1 GLU 63 79.715 4.956 -1.963 455 1HG GLU 63 HG2 GLU 63 80.838 3.558 0.307 456 2HG GLU 63 HG1 GLU 63 81.564 2.972 -1.190 457 H GLU 64 HN GLU 64 76.294 4.256 -1.610 458 HA GLU 64 HA GLU 64 76.272 7.217 -1.251 459 1HB GLU 64 HB2 GLU 64 74.419 5.613 -3.018 460 2HB GLU 64 HB1 GLU 64 74.802 7.332 -3.118 461 1HG GLU 64 HG2 GLU 64 77.291 6.255 -3.357 462 2HG GLU 64 HG1 GLU 64 76.319 5.000 -4.127 463 H VAL 65 HN VAL 65 74.769 4.309 -0.187 464 HA VAL 65 HA VAL 65 72.319 5.695 0.714 465 HB VAL 65 HB VAL 65 73.205 2.835 1.207 466 1HG1 VAL 65 HG12 VAL 65 71.064 4.396 2.233 467 2HG1 VAL 65 HG11 VAL 65 70.367 3.269 1.067 468 3HG1 VAL 65 HG13 VAL 65 71.320 2.661 2.422 469 1HG2 VAL 65 HG21 VAL 65 72.310 4.152 -1.197 470 2HG2 VAL 65 HG23 VAL 65 72.743 2.457 -0.964 471 3HG2 VAL 65 HG22 VAL 65 71.089 2.994 -0.671 472 H ASP 66 HN ASP 66 75.445 4.866 1.911 473 HA ASP 66 HA ASP 66 74.599 5.059 4.738 474 1HB ASP 66 HB2 ASP 66 76.946 4.080 3.286 475 2HB ASP 66 HB1 ASP 66 77.373 5.050 4.696 476 H GLU 67 HN GLU 67 73.823 7.361 4.147 477 HA GLU 67 HA GLU 67 75.753 9.425 3.625 478 1HB GLU 67 HB2 GLU 67 72.907 9.261 4.367 479 2HB GLU 67 HB1 GLU 67 73.726 10.695 4.990 480 1HG GLU 67 HG2 GLU 67 74.690 10.897 2.572 481 2HG GLU 67 HG1 GLU 67 73.357 9.829 2.131 482 H ASP 68 HN ASP 68 74.656 7.835 6.558 483 HA ASP 68 HA ASP 68 76.097 9.789 8.250 484 1HB ASP 68 HB2 ASP 68 75.271 8.215 10.104 485 2HB ASP 68 HB1 ASP 68 74.031 9.087 9.204 486 H GLY 69 HN GLY 69 77.029 7.273 6.386 487 1HA GLY 69 HA2 GLY 69 78.780 5.699 6.488 488 2HA GLY 69 HA1 GLY 69 79.612 6.992 7.352 489 H SER 70 HN SER 70 76.731 5.221 8.428 490 HA SER 70 HA SER 70 78.013 4.696 11.005 491 1HB SER 70 HB2 SER 70 75.806 3.438 11.409 492 2HB SER 70 HB1 SER 70 75.689 5.174 11.133 493 HG SER 70 HG SER 70 74.288 3.594 9.880 494 H GLY 71 HN GLY 71 77.550 2.997 8.013 495 1HA GLY 71 HA2 GLY 71 78.852 1.032 7.462 496 2HA GLY 71 HA1 GLY 71 78.975 0.666 9.182 497 H THR 72 HN THR 72 75.837 1.566 8.682 498 HA THR 72 HA THR 72 74.951 -1.147 7.839 499 HB THR 72 HB THR 72 73.192 -0.418 9.896 500 HG1 THR 72 HG1 THR 72 74.445 0.181 11.558 501 1HG2 THR 72 HG22 THR 72 74.317 -2.660 9.124 502 2HG2 THR 72 HG21 THR 72 75.513 -2.263 10.359 503 3HG2 THR 72 HG23 THR 72 73.820 -2.470 10.805 504 H ILE 73 HN ILE 73 72.442 -1.098 7.595 505 HA ILE 73 HA ILE 73 71.656 1.570 6.489 506 HB ILE 73 HB ILE 73 70.854 -1.180 5.494 507 1HG1 ILE 73 HG12 ILE 73 73.260 -0.365 5.076 508 2HG1 ILE 73 HG11 ILE 73 72.322 -0.823 3.656 509 1HG2 ILE 73 HG22 ILE 73 69.138 0.627 5.233 510 2HG2 ILE 73 HG21 ILE 73 70.317 1.560 4.313 511 3HG2 ILE 73 HG23 ILE 73 69.741 0.012 3.695 512 1HD1 ILE 73 HD12 ILE 73 71.860 1.959 4.296 513 2HD1 ILE 73 HD11 ILE 73 73.589 1.653 4.132 514 3HD1 ILE 73 HD13 ILE 73 72.494 1.256 2.807 515 H ASP 74 HN ASP 74 69.636 2.329 7.074 516 HA ASP 74 HA ASP 74 68.105 0.631 9.000 517 1HB ASP 74 HB2 ASP 74 67.655 3.583 8.695 518 2HB ASP 74 HB1 ASP 74 67.463 2.569 10.126 519 H PHE 75 HN PHE 75 65.737 0.700 8.800 520 HA PHE 75 HA PHE 75 64.668 0.147 6.342 521 1HB PHE 75 HB2 PHE 75 63.476 0.043 8.569 522 2HB PHE 75 HB1 PHE 75 63.176 1.774 8.413 523 HD1 PHE 75 HD2 PHE 75 63.223 -0.818 5.742 524 HD2 PHE 75 HD1 PHE 75 60.842 1.906 8.050 525 HE1 PHE 75 HE2 PHE 75 61.274 -1.284 4.279 526 HE2 PHE 75 HE1 PHE 75 58.891 1.441 6.590 527 HZ PHE 75 HZ PHE 75 59.106 -0.154 4.702 528 H GLU 76 HN GLU 76 65.486 3.334 7.539 529 HA GLU 76 HA GLU 76 63.992 4.747 5.470 530 1HB GLU 76 HB2 GLU 76 66.259 5.759 7.211 531 2HB GLU 76 HB1 GLU 76 65.092 6.742 6.325 532 1HG GLU 76 HG2 GLU 76 63.284 5.502 7.679 533 2HG GLU 76 HG1 GLU 76 64.604 4.972 8.723 534 H GLU 77 HN GLU 77 67.431 3.951 6.009 535 HA GLU 77 HA GLU 77 68.359 5.195 3.591 536 1HB GLU 77 HB2 GLU 77 69.551 2.977 5.277 537 2HB GLU 77 HB1 GLU 77 70.398 3.782 3.956 538 1HG GLU 77 HG2 GLU 77 70.181 5.940 5.091 539 2HG GLU 77 HG1 GLU 77 69.256 5.185 6.391 540 H PHE 78 HN PHE 78 66.918 2.072 4.252 541 HA PHE 78 HA PHE 78 67.840 0.755 1.871 542 1HB PHE 78 HB2 PHE 78 67.004 -0.855 3.256 543 2HB PHE 78 HB1 PHE 78 65.870 0.255 4.018 544 HD1 PHE 78 HD2 PHE 78 66.438 -1.905 1.051 545 HD2 PHE 78 HD1 PHE 78 63.614 0.435 3.280 546 HE1 PHE 78 HE2 PHE 78 64.587 -2.860 -0.298 547 HE2 PHE 78 HE1 PHE 78 61.758 -0.520 1.934 548 HZ PHE 78 HZ PHE 78 62.245 -2.167 0.144 549 H LEU 79 HN LEU 79 64.799 2.473 2.649 550 HA LEU 79 HA LEU 79 63.495 2.183 0.183 551 1HB LEU 79 HB2 LEU 79 63.569 4.611 2.001 552 2HB LEU 79 HB1 LEU 79 62.398 4.364 0.705 553 HG LEU 79 HG LEU 79 62.802 2.373 2.948 554 1HD1 LEU 79 HD11 LEU 79 60.932 4.742 2.732 555 2HD1 LEU 79 HD13 LEU 79 60.609 3.375 3.800 556 3HD1 LEU 79 HD12 LEU 79 62.052 4.362 4.042 557 1HD2 LEU 79 HD22 LEU 79 60.927 2.721 0.640 558 2HD2 LEU 79 HD21 LEU 79 61.653 1.246 1.277 559 3HD2 LEU 79 HD23 LEU 79 60.298 1.998 2.120 560 H VAL 80 HN VAL 80 66.221 4.223 1.041 561 HA VAL 80 HA VAL 80 66.146 5.887 -1.318 562 HB VAL 80 HB VAL 80 68.382 5.146 0.589 563 1HG1 VAL 80 HG11 VAL 80 68.337 6.956 -1.826 564 2HG1 VAL 80 HG13 VAL 80 69.460 7.233 -0.495 565 3HG1 VAL 80 HG12 VAL 80 69.523 5.722 -1.402 566 1HG2 VAL 80 HG23 VAL 80 66.221 6.728 1.028 567 2HG2 VAL 80 HG22 VAL 80 67.796 7.017 1.771 568 3HG2 VAL 80 HG21 VAL 80 67.326 7.907 0.323 569 H MET 81 HN MET 81 67.773 2.841 -0.494 570 HA MET 81 HA MET 81 69.403 2.558 -2.768 571 1HB MET 81 HB2 MET 81 69.275 1.044 -0.713 572 2HB MET 81 HB1 MET 81 67.887 0.274 -1.487 573 1HG MET 81 HG2 MET 81 69.166 -0.572 -3.245 574 2HG MET 81 HG1 MET 81 70.436 0.629 -3.028 575 1HE MET 81 HE3 MET 81 71.561 1.002 -1.038 576 2HE MET 81 HE2 MET 81 71.114 0.181 0.455 577 3HE MET 81 HE1 MET 81 72.594 -0.277 -0.383 578 H MET 82 HN MET 82 66.003 1.526 -2.333 579 HA MET 82 HA MET 82 65.687 0.410 -4.937 580 1HB MET 82 HB2 MET 82 63.646 1.692 -3.097 581 2HB MET 82 HB1 MET 82 63.243 0.757 -4.538 582 1HG MET 82 HG2 MET 82 65.102 -0.498 -2.573 583 2HG MET 82 HG1 MET 82 63.402 -0.384 -2.120 584 1HE MET 82 HE3 MET 82 66.089 -1.851 -3.700 585 2HE MET 82 HE2 MET 82 65.523 -3.302 -4.523 586 3HE MET 82 HE1 MET 82 65.661 -1.789 -5.415 587 H VAL 83 HN VAL 83 64.373 3.554 -3.820 588 HA VAL 83 HA VAL 83 63.724 4.554 -6.367 589 HB VAL 83 HB VAL 83 64.708 6.112 -3.958 590 1HG1 VAL 83 HG11 VAL 83 63.826 6.890 -6.638 591 2HG1 VAL 83 HG13 VAL 83 62.852 7.629 -5.366 592 3HG1 VAL 83 HG12 VAL 83 64.600 7.863 -5.387 593 1HG2 VAL 83 HG23 VAL 83 62.655 4.505 -3.799 594 2HG2 VAL 83 HG22 VAL 83 62.475 6.161 -3.219 595 3HG2 VAL 83 HG21 VAL 83 61.843 5.707 -4.802 596 H ARG 84 HN ARG 84 66.842 4.072 -4.967 597 HA ARG 84 HA ARG 84 68.303 6.070 -6.417 598 1HB ARG 84 HB2 ARG 84 68.951 4.230 -4.498 599 2HB ARG 84 HB1 ARG 84 69.687 3.507 -5.929 600 1HG ARG 84 HG2 ARG 84 71.379 4.979 -5.787 601 2HG ARG 84 HG1 ARG 84 70.231 6.297 -6.021 602 1HD ARG 84 HD2 ARG 84 69.930 5.408 -3.341 603 2HD ARG 84 HD1 ARG 84 71.660 5.579 -3.635 604 HE ARG 84 HE ARG 84 69.697 7.759 -3.595 605 1HH1 ARG 84 HH11 ARG 84 72.308 6.875 -5.541 606 2HH1 ARG 84 HH12 ARG 84 73.205 8.334 -5.292 607 1HH2 ARG 84 HH21 ARG 84 71.058 9.550 -2.855 608 2HH2 ARG 84 HH22 ARG 84 72.497 9.850 -3.772 609 H GLN 85 HN GLN 85 68.106 2.548 -7.073 610 HA GLN 85 HA GLN 85 69.174 2.826 -9.735 611 1HB GLN 85 HB2 GLN 85 67.796 0.631 -8.214 612 2HB GLN 85 HB1 GLN 85 68.054 0.458 -9.950 613 1HG GLN 85 HG2 GLN 85 70.315 1.276 -8.133 614 2HG GLN 85 HG1 GLN 85 69.902 -0.425 -8.351 615 1HE2 GLN 85 HE22 GLN 85 71.674 -0.590 -11.377 616 2HE2 GLN 85 HE21 GLN 85 71.119 -1.378 -9.980 617 H MET 86 HN MET 86 66.175 3.677 -8.477 618 HA MET 86 HA MET 86 64.726 3.128 -11.010 619 1HB MET 86 HB2 MET 86 63.809 4.227 -8.338 620 2HB MET 86 HB1 MET 86 62.754 4.042 -9.739 621 1HG MET 86 HG2 MET 86 62.775 1.732 -9.626 622 2HG MET 86 HG1 MET 86 64.370 1.678 -8.877 623 1HE MET 86 HE2 MET 86 61.146 3.584 -8.343 624 2HE MET 86 HE1 MET 86 60.479 1.954 -8.270 625 3HE MET 86 HE3 MET 86 60.474 2.983 -6.831 626 H LYS 87 HN LYS 87 66.931 5.175 -10.673 627 HA LYS 87 HA LYS 87 65.513 7.360 -12.036 628 1HB LYS 87 HB2 LYS 87 66.821 7.688 -9.333 629 2HB LYS 87 HB1 LYS 87 66.637 9.047 -10.442 630 1HG LYS 87 HG2 LYS 87 64.186 8.574 -10.551 631 2HG LYS 87 HG1 LYS 87 64.411 7.313 -9.336 632 1HD LYS 87 HD2 LYS 87 63.947 9.020 -7.885 633 2HD LYS 87 HD1 LYS 87 65.661 9.378 -8.102 634 1HE LYS 87 HE2 LYS 87 64.921 11.439 -8.720 635 2HE LYS 87 HE1 LYS 87 64.577 10.658 -10.263 636 1HZ LYS 87 HZ1 LYS 87 62.343 10.155 -9.440 637 2HZ LYS 87 HZ3 LYS 87 62.682 10.984 -8.000 638 3HZ LYS 87 HZ2 LYS 87 62.641 11.826 -9.474 639 H GLU 88 HN GLU 88 67.600 5.403 -12.710 640 HA GLU 88 HA GLU 88 69.753 7.346 -13.427 641 1HB GLU 88 HB2 GLU 88 70.260 5.536 -11.563 642 2HB GLU 88 HB1 GLU 88 70.425 4.463 -12.952 643 1HG GLU 88 HG2 GLU 88 72.478 5.284 -13.352 644 2HG GLU 88 HG1 GLU 88 71.792 6.897 -13.557 645 H ASP 89 HN ASP 89 68.857 7.565 -15.535 646 HA ASP 89 HA ASP 89 68.388 6.924 -17.749 647 1HB ASP 89 HB2 ASP 89 70.712 5.112 -17.054 648 2HB ASP 89 HB1 ASP 89 70.085 5.319 -18.690 649 H ALA 90 HN ALA 90 69.465 3.674 -17.231 650 HA ALA 90 HA ALA 90 66.751 2.699 -17.810 651 1HB ALA 90 HB1 ALA 90 69.499 1.564 -17.820 652 2HB ALA 90 HB3 ALA 90 68.193 0.439 -17.451 653 3HB ALA 90 HB2 ALA 90 68.183 1.333 -18.970 No H/Q in entry = 653 Start of MODEL 22 1 1H ALA 1 HT3 ALA 1 73.766 15.843 7.698 2 2H ALA 1 HT2 ALA 1 74.819 17.126 7.338 3 3H ALA 1 HT1 ALA 1 75.258 15.963 8.495 4 HA ALA 1 HA ALA 1 74.077 16.914 10.127 5 1HB ALA 1 HB1 ALA 1 74.494 19.029 8.034 6 2HB ALA 1 HB3 ALA 1 73.625 19.433 9.515 7 3HB ALA 1 HB2 ALA 1 75.285 18.842 9.599 8 H SER 2 HN SER 2 71.995 17.311 10.934 9 HA SER 2 HA SER 2 69.649 17.294 10.921 10 1HB SER 2 HB2 SER 2 70.268 19.380 9.432 11 2HB SER 2 HB1 SER 2 69.678 18.367 8.117 12 HG SER 2 HG SER 2 68.277 19.004 10.507 13 H MET 3 HN MET 3 67.937 16.905 8.617 14 HA MET 3 HA MET 3 68.414 14.011 8.235 15 1HB MET 3 HB2 MET 3 66.102 14.140 7.155 16 2HB MET 3 HB1 MET 3 66.169 14.541 8.872 17 1HG MET 3 HG2 MET 3 66.658 16.867 7.169 18 2HG MET 3 HG1 MET 3 65.077 16.138 6.874 19 1HE MET 3 HE2 MET 3 66.435 18.698 7.945 20 2HE MET 3 HE1 MET 3 64.835 19.231 8.455 21 3HE MET 3 HE3 MET 3 66.155 19.132 9.628 22 H THR 4 HN THR 4 69.489 13.352 6.445 23 HA THR 4 HA THR 4 70.301 15.018 4.317 24 HB THR 4 HB THR 4 70.777 12.925 3.088 25 HG1 THR 4 HG1 THR 4 68.863 11.836 3.721 26 1HG2 THR 4 HG23 THR 4 71.837 13.730 5.520 27 2HG2 THR 4 HG22 THR 4 71.508 12.015 5.770 28 3HG2 THR 4 HG21 THR 4 72.543 12.529 4.439 29 H ASP 5 HN ASP 5 69.278 15.745 2.495 30 HA ASP 5 HA ASP 5 66.427 15.427 2.223 31 1HB ASP 5 HB2 ASP 5 68.477 16.485 0.252 32 2HB ASP 5 HB1 ASP 5 66.730 16.669 0.096 33 H GLN 6 HN GLN 6 69.021 13.431 1.335 34 HA GLN 6 HA GLN 6 68.183 12.333 -1.135 35 1HB GLN 6 HB2 GLN 6 69.389 10.737 1.139 36 2HB GLN 6 HB1 GLN 6 69.542 10.431 -0.594 37 1HG GLN 6 HG2 GLN 6 70.665 12.707 -0.777 38 2HG GLN 6 HG1 GLN 6 70.724 12.727 0.986 39 1HE2 GLN 6 HE22 GLN 6 72.763 9.516 0.698 40 2HE2 GLN 6 HE21 GLN 6 71.161 9.784 1.192 41 H GLN 7 HN GLN 7 67.342 11.289 2.183 42 HA GLN 7 HA GLN 7 65.450 9.300 1.231 43 1HB GLN 7 HB2 GLN 7 64.809 9.120 3.613 44 2HB GLN 7 HB1 GLN 7 66.564 9.076 3.422 45 1HG GLN 7 HG2 GLN 7 66.108 11.769 3.663 46 2HG GLN 7 HG1 GLN 7 64.866 11.104 4.725 47 1HE2 GLN 7 HE22 GLN 7 67.790 9.209 6.355 48 2HE2 GLN 7 HE21 GLN 7 66.616 8.663 5.257 49 H ALA 8 HN ALA 8 65.319 12.703 1.906 50 HA ALA 8 HA ALA 8 62.481 12.898 2.375 51 1HB ALA 8 HB2 ALA 8 64.637 14.832 1.568 52 2HB ALA 8 HB1 ALA 8 62.946 15.329 1.511 53 3HB ALA 8 HB3 ALA 8 63.661 14.809 3.037 54 H GLU 9 HN GLU 9 64.439 12.610 -0.503 55 HA GLU 9 HA GLU 9 62.237 13.433 -2.275 56 1HB GLU 9 HB2 GLU 9 64.506 13.966 -2.975 57 2HB GLU 9 HB1 GLU 9 64.980 12.270 -2.848 58 1HG GLU 9 HG2 GLU 9 63.962 11.699 -4.813 59 2HG GLU 9 HG1 GLU 9 62.626 12.824 -4.567 60 H ALA 10 HN ALA 10 64.052 10.419 -1.611 61 HA ALA 10 HA ALA 10 62.589 8.693 -3.283 62 1HB ALA 10 HB2 ALA 10 64.649 8.232 -1.734 63 2HB ALA 10 HB1 ALA 10 63.429 7.809 -0.532 64 3HB ALA 10 HB3 ALA 10 63.512 6.922 -2.055 65 H ARG 11 HN ARG 11 61.965 9.340 0.187 66 HA ARG 11 HA ARG 11 59.517 7.892 0.304 67 1HB ARG 11 HB2 ARG 11 60.465 10.280 1.914 68 2HB ARG 11 HB1 ARG 11 59.045 9.313 2.317 69 1HG ARG 11 HG2 ARG 11 60.370 7.348 2.669 70 2HG ARG 11 HG1 ARG 11 61.796 8.107 1.963 71 1HD ARG 11 HD2 ARG 11 61.868 8.058 4.460 72 2HD ARG 11 HD1 ARG 11 61.919 9.695 3.809 73 HE ARG 11 HE ARG 11 59.651 10.027 4.574 74 1HH1 ARG 11 HH11 ARG 11 57.719 8.448 4.842 75 2HH1 ARG 11 HH12 ARG 11 57.931 7.357 6.170 76 1HH2 ARG 11 HH21 ARG 11 61.335 7.951 6.459 77 2HH2 ARG 11 HH22 ARG 11 59.978 7.075 7.086 78 H ALA 12 HN ALA 12 60.274 11.086 -0.901 79 HA ALA 12 HA ALA 12 57.629 12.183 -0.857 80 1HB ALA 12 HB1 ALA 12 60.179 12.988 -1.775 81 2HB ALA 12 HB3 ALA 12 59.109 13.064 -3.173 82 3HB ALA 12 HB2 ALA 12 58.711 13.963 -1.710 83 H PHE 13 HN PHE 13 59.347 10.178 -3.233 84 HA PHE 13 HA PHE 13 57.012 10.205 -5.036 85 1HB PHE 13 HB2 PHE 13 59.173 10.206 -6.112 86 2HB PHE 13 HB1 PHE 13 59.701 8.814 -5.165 87 HD1 PHE 13 HD1 PHE 13 56.876 9.800 -7.439 88 HD2 PHE 13 HD2 PHE 13 59.578 6.714 -6.161 89 HE1 PHE 13 HE1 PHE 13 55.946 8.274 -9.158 90 HE2 PHE 13 HE2 PHE 13 58.646 5.188 -7.880 91 HZ PHE 13 HZ PHE 13 56.829 5.967 -9.378 92 H LEU 14 HN LEU 14 58.182 8.373 -2.391 93 HA LEU 14 HA LEU 14 56.694 5.941 -3.194 94 1HB LEU 14 HB2 LEU 14 58.308 6.532 -0.693 95 2HB LEU 14 HB1 LEU 14 57.636 4.963 -1.137 96 HG LEU 14 HG LEU 14 59.564 6.494 -2.898 97 1HD1 LEU 14 HD13 LEU 14 60.359 5.669 -0.517 98 2HD1 LEU 14 HD12 LEU 14 60.348 4.084 -1.291 99 3HD1 LEU 14 HD11 LEU 14 61.364 5.373 -1.936 100 1HD2 LEU 14 HD23 LEU 14 57.883 4.431 -3.513 101 2HD2 LEU 14 HD22 LEU 14 59.428 4.707 -4.315 102 3HD2 LEU 14 HD21 LEU 14 59.315 3.546 -2.993 103 H SER 15 HN SER 15 54.612 5.648 -2.567 104 HA SER 15 HA SER 15 53.400 7.560 -0.682 105 1HB SER 15 HB2 SER 15 51.470 5.662 -1.329 106 2HB SER 15 HB1 SER 15 51.705 7.210 -2.138 107 HG SER 15 HG SER 15 51.812 5.568 -3.657 108 H GLU 16 HN GLU 16 52.286 6.867 1.256 109 HA GLU 16 HA GLU 16 53.700 4.966 2.829 110 1HB GLU 16 HB2 GLU 16 50.821 5.662 3.371 111 2HB GLU 16 HB1 GLU 16 52.133 5.415 4.523 112 1HG GLU 16 HG2 GLU 16 53.208 7.486 3.308 113 2HG GLU 16 HG1 GLU 16 51.548 7.809 2.809 114 H GLU 17 HN GLU 17 51.211 4.538 0.480 115 HA GLU 17 HA GLU 17 50.119 2.063 1.479 116 1HB GLU 17 HB2 GLU 17 49.606 3.785 -0.675 117 2HB GLU 17 HB1 GLU 17 50.089 2.261 -1.420 118 1HG GLU 17 HG2 GLU 17 48.375 1.048 -0.306 119 2HG GLU 17 HG1 GLU 17 48.071 2.366 0.826 120 H MET 18 HN MET 18 52.872 2.864 -0.593 121 HA MET 18 HA MET 18 53.411 -0.007 -1.073 122 1HB MET 18 HB2 MET 18 54.357 2.570 -2.203 123 2HB MET 18 HB1 MET 18 55.543 1.266 -2.156 124 1HG MET 18 HG2 MET 18 53.247 -0.004 -3.053 125 2HG MET 18 HG1 MET 18 53.176 1.565 -3.854 126 1HE MET 18 HE2 MET 18 53.430 1.502 -5.777 127 2HE MET 18 HE1 MET 18 55.043 1.797 -6.419 128 3HE MET 18 HE3 MET 18 54.213 0.272 -6.765 129 H ILE 19 HN ILE 19 55.132 2.796 0.348 130 HA ILE 19 HA ILE 19 57.416 1.561 1.309 131 HB ILE 19 HB ILE 19 55.681 3.574 2.769 132 1HG1 ILE 19 HG12 ILE 19 58.032 3.842 0.872 133 2HG1 ILE 19 HG11 ILE 19 56.377 4.378 0.584 134 1HG2 ILE 19 HG21 ILE 19 57.348 2.382 4.219 135 2HG2 ILE 19 HG23 ILE 19 58.624 2.939 3.136 136 3HG2 ILE 19 HG22 ILE 19 57.673 4.106 4.054 137 1HD1 ILE 19 HD12 ILE 19 56.692 5.790 2.741 138 2HD1 ILE 19 HD11 ILE 19 58.415 5.515 2.486 139 3HD1 ILE 19 HD13 ILE 19 57.464 6.351 1.259 140 H ALA 20 HN ALA 20 54.131 1.137 2.454 141 HA ALA 20 HA ALA 20 54.791 -0.107 4.967 142 1HB ALA 20 HB1 ALA 20 52.457 0.698 3.739 143 2HB ALA 20 HB3 ALA 20 52.336 -1.059 3.657 144 3HB ALA 20 HB2 ALA 20 52.540 -0.262 5.217 145 H GLU 21 HN GLU 21 53.957 -1.464 1.765 146 HA GLU 21 HA GLU 21 54.224 -4.200 2.474 147 1HB GLU 21 HB2 GLU 21 54.470 -2.664 -0.095 148 2HB GLU 21 HB1 GLU 21 54.921 -4.368 -0.063 149 1HG GLU 21 HG2 GLU 21 52.765 -5.077 0.297 150 2HG GLU 21 HG1 GLU 21 52.334 -3.636 1.219 151 H PHE 22 HN PHE 22 56.657 -1.849 1.376 152 HA PHE 22 HA PHE 22 58.824 -3.728 1.214 153 1HB PHE 22 HB2 PHE 22 58.767 -0.729 1.640 154 2HB PHE 22 HB1 PHE 22 60.255 -1.649 1.424 155 HD1 PHE 22 HD1 PHE 22 60.221 -3.322 -0.659 156 HD2 PHE 22 HD2 PHE 22 57.755 0.172 -0.255 157 HE1 PHE 22 HE1 PHE 22 59.902 -3.264 -3.118 158 HE2 PHE 22 HE2 PHE 22 57.436 0.230 -2.714 159 HZ PHE 22 HZ PHE 22 58.510 -1.487 -4.146 160 H LYS 23 HN LYS 23 57.367 -1.959 3.866 161 HA LYS 23 HA LYS 23 59.513 -2.265 5.751 162 1HB LYS 23 HB2 LYS 23 57.337 -0.805 5.870 163 2HB LYS 23 HB1 LYS 23 56.623 -2.252 6.583 164 1HG LYS 23 HG2 LYS 23 59.263 -1.514 7.681 165 2HG LYS 23 HG1 LYS 23 57.975 -0.355 8.013 166 1HD LYS 23 HD2 LYS 23 56.770 -1.844 9.292 167 2HD LYS 23 HD1 LYS 23 57.352 -3.247 8.393 168 1HE LYS 23 HE2 LYS 23 59.092 -3.550 9.803 169 2HE LYS 23 HE1 LYS 23 59.509 -1.838 9.773 170 1HZ LYS 23 HZ2 LYS 23 57.641 -1.448 11.316 171 2HZ LYS 23 HZ1 LYS 23 57.406 -3.128 11.423 172 3HZ LYS 23 HZ3 LYS 23 58.853 -2.438 11.977 173 H ALA 24 HN ALA 24 57.521 -4.573 4.303 174 HA ALA 24 HA ALA 24 57.417 -6.392 6.607 175 1HB ALA 24 HB3 ALA 24 55.777 -6.176 4.520 176 2HB ALA 24 HB2 ALA 24 56.913 -7.322 3.807 177 3HB ALA 24 HB1 ALA 24 56.061 -7.737 5.295 178 H ALA 25 HN ALA 25 59.311 -6.005 3.638 179 HA ALA 25 HA ALA 25 60.788 -8.489 4.045 180 1HB ALA 25 HB3 ALA 25 61.320 -6.104 2.248 181 2HB ALA 25 HB2 ALA 25 62.233 -7.611 2.206 182 3HB ALA 25 HB1 ALA 25 60.520 -7.606 1.784 183 H PHE 26 HN PHE 26 61.100 -5.174 5.072 184 HA PHE 26 HA PHE 26 63.886 -5.084 5.621 185 1HB PHE 26 HB2 PHE 26 62.091 -3.212 5.792 186 2HB PHE 26 HB1 PHE 26 61.833 -3.815 7.430 187 HD1 PHE 26 HD1 PHE 26 64.645 -2.860 5.130 188 HD2 PHE 26 HD2 PHE 26 63.137 -2.943 9.152 189 HE1 PHE 26 HE1 PHE 26 66.645 -1.616 5.907 190 HE2 PHE 26 HE2 PHE 26 65.138 -1.699 9.927 191 HZ PHE 26 HZ PHE 26 66.891 -1.035 8.304 192 H ASP 27 HN ASP 27 61.240 -5.816 7.927 193 HA ASP 27 HA ASP 27 62.894 -6.652 10.061 194 1HB ASP 27 HB2 ASP 27 60.850 -8.017 10.756 195 2HB ASP 27 HB1 ASP 27 60.576 -6.292 10.507 196 H MET 28 HN MET 28 62.323 -8.205 7.051 197 HA MET 28 HA MET 28 62.682 -10.934 7.931 198 1HB MET 28 HB2 MET 28 63.143 -9.665 5.214 199 2HB MET 28 HB1 MET 28 63.107 -11.401 5.528 200 1HG MET 28 HG2 MET 28 60.777 -10.937 6.585 201 2HG MET 28 HG1 MET 28 60.850 -9.415 5.696 202 1HE MET 28 HE3 MET 28 62.284 -9.631 3.504 203 2HE MET 28 HE2 MET 28 62.852 -11.257 3.137 204 3HE MET 28 HE1 MET 28 61.608 -10.520 2.132 205 H PHE 29 HN PHE 29 64.900 -8.377 6.887 206 HA PHE 29 HA PHE 29 67.175 -10.269 7.265 207 1HB PHE 29 HB2 PHE 29 67.661 -7.496 6.299 208 2HB PHE 29 HB1 PHE 29 68.384 -9.013 5.770 209 HD1 PHE 29 HD1 PHE 29 66.763 -10.686 4.544 210 HD2 PHE 29 HD2 PHE 29 66.047 -6.472 4.958 211 HE1 PHE 29 HE1 PHE 29 65.191 -10.767 2.627 212 HE2 PHE 29 HE2 PHE 29 64.474 -6.551 3.039 213 HZ PHE 29 HZ PHE 29 64.047 -8.698 1.874 214 H ASP 30 HN ASP 30 65.459 -8.517 9.276 215 HA ASP 30 HA ASP 30 67.609 -6.913 10.496 216 1HB ASP 30 HB2 ASP 30 65.922 -6.225 12.105 217 2HB ASP 30 HB1 ASP 30 65.225 -6.136 10.487 218 H ALA 31 HN ALA 31 68.759 -9.206 10.585 219 HA ALA 31 HA ALA 31 68.036 -11.162 12.487 220 1HB ALA 31 HB2 ALA 31 69.957 -11.270 10.830 221 2HB ALA 31 HB1 ALA 31 70.874 -10.254 11.944 222 3HB ALA 31 HB3 ALA 31 70.338 -11.855 12.449 223 H ASP 32 HN ASP 32 70.039 -8.231 12.952 224 HA ASP 32 HA ASP 32 70.386 -8.674 15.783 225 1HB ASP 32 HB2 ASP 32 71.025 -6.563 13.830 226 2HB ASP 32 HB1 ASP 32 70.679 -5.957 15.450 227 H GLY 33 HN GLY 33 67.940 -7.067 13.834 228 1HA GLY 33 HA2 GLY 33 65.750 -6.460 14.492 229 2HA GLY 33 HA1 GLY 33 66.134 -6.996 16.128 230 H GLY 34 HN GLY 34 68.567 -4.961 15.053 231 1HA GLY 34 HA2 GLY 34 67.772 -2.861 16.893 232 2HA GLY 34 HA1 GLY 34 69.192 -2.832 15.847 233 H GLY 35 HN GLY 35 66.800 -3.572 13.774 234 1HA GLY 35 HA2 GLY 35 65.212 -2.250 12.547 235 2HA GLY 35 HA1 GLY 35 65.753 -0.824 13.433 236 H ASP 36 HN ASP 36 68.076 -3.019 12.024 237 HA ASP 36 HA ASP 36 68.374 -1.543 9.535 238 1HB ASP 36 HB2 ASP 36 70.758 -0.798 10.179 239 2HB ASP 36 HB1 ASP 36 69.422 0.149 10.831 240 H ILE 37 HN ILE 37 69.266 -2.965 8.098 241 HA ILE 37 HA ILE 37 70.727 -5.299 9.245 242 HB ILE 37 HB ILE 37 69.445 -6.592 7.931 243 1HG1 ILE 37 HG12 ILE 37 71.215 -6.115 6.168 244 2HG1 ILE 37 HG11 ILE 37 69.643 -6.607 5.540 245 1HG2 ILE 37 HG23 ILE 37 67.788 -4.718 8.260 246 2HG2 ILE 37 HG22 ILE 37 68.259 -4.110 6.673 247 3HG2 ILE 37 HG21 ILE 37 67.509 -5.699 6.821 248 1HD1 ILE 37 HD13 ILE 37 69.543 -3.791 5.838 249 2HD1 ILE 37 HD12 ILE 37 71.083 -4.160 5.065 250 3HD1 ILE 37 HD11 ILE 37 69.574 -4.711 4.333 251 H SER 38 HN SER 38 72.749 -5.871 8.393 252 HA SER 38 HA SER 38 74.427 -3.782 7.460 253 1HB SER 38 HB2 SER 38 75.249 -5.893 8.510 254 2HB SER 38 HB1 SER 38 74.806 -6.765 7.047 255 HG SER 38 HG SER 38 76.837 -6.240 6.615 256 H THR 39 HN THR 39 75.193 -3.280 5.350 257 HA THR 39 HA THR 39 73.286 -3.639 3.229 258 HB THR 39 HB THR 39 74.709 -2.316 1.914 259 HG1 THR 39 HG1 THR 39 76.892 -3.048 3.555 260 1HG2 THR 39 HG22 THR 39 74.468 -1.687 4.692 261 2HG2 THR 39 HG21 THR 39 76.053 -1.144 4.141 262 3HG2 THR 39 HG23 THR 39 74.595 -0.577 3.329 263 H LYS 40 HN LYS 40 75.694 -5.683 4.462 264 HA LYS 40 HA LYS 40 76.557 -7.001 2.067 265 1HB LYS 40 HB2 LYS 40 77.330 -8.766 3.510 266 2HB LYS 40 HB1 LYS 40 77.575 -7.253 4.383 267 1HG LYS 40 HG2 LYS 40 75.255 -7.664 5.413 268 2HG LYS 40 HG1 LYS 40 75.402 -9.309 4.794 269 1HD LYS 40 HD2 LYS 40 77.771 -8.300 6.251 270 2HD LYS 40 HD1 LYS 40 76.324 -8.530 7.236 271 1HE LYS 40 HE2 LYS 40 76.918 -10.712 7.323 272 2HE LYS 40 HE1 LYS 40 76.367 -10.802 5.650 273 1HZ LYS 40 HZ2 LYS 40 78.978 -9.715 5.784 274 2HZ LYS 40 HZ1 LYS 40 78.929 -11.212 6.585 275 3HZ LYS 40 HZ3 LYS 40 78.436 -11.102 4.966 276 H ALA 41 HN ALA 41 73.728 -7.380 4.145 277 HA ALA 41 HA ALA 41 72.789 -9.707 2.589 278 1HB ALA 41 HB2 ALA 41 72.480 -9.240 5.168 279 2HB ALA 41 HB1 ALA 41 71.107 -8.276 4.624 280 3HB ALA 41 HB3 ALA 41 71.178 -9.998 4.252 281 H LEU 42 HN LEU 42 72.636 -6.329 2.374 282 HA LEU 42 HA LEU 42 70.035 -5.755 1.522 283 1HB LEU 42 HB2 LEU 42 72.642 -4.555 1.229 284 2HB LEU 42 HB1 LEU 42 71.766 -4.425 -0.294 285 HG LEU 42 HG LEU 42 71.157 -2.482 0.929 286 1HD1 LEU 42 HD12 LEU 42 69.260 -4.282 0.162 287 2HD1 LEU 42 HD11 LEU 42 68.845 -4.073 1.864 288 3HD1 LEU 42 HD13 LEU 42 68.893 -2.676 0.789 289 1HD2 LEU 42 HD23 LEU 42 71.376 -4.331 3.215 290 2HD2 LEU 42 HD22 LEU 42 71.691 -2.597 3.133 291 3HD2 LEU 42 HD21 LEU 42 70.041 -3.185 3.336 292 H GLY 43 HN GLY 43 72.742 -6.797 -0.585 293 1HA GLY 43 HA2 GLY 43 71.463 -7.025 -3.018 294 2HA GLY 43 HA1 GLY 43 72.664 -8.202 -2.484 295 H THR 44 HN THR 44 71.208 -9.288 -0.291 296 HA THR 44 HA THR 44 69.565 -11.213 -1.668 297 HB THR 44 HB THR 44 69.654 -10.598 1.301 298 HG1 THR 44 HG1 THR 44 71.455 -11.702 1.363 299 1HG2 THR 44 HG21 THR 44 68.161 -12.462 -0.283 300 2HG2 THR 44 HG23 THR 44 69.319 -13.357 0.701 301 3HG2 THR 44 HG22 THR 44 68.164 -12.269 1.469 302 H VAL 45 HN VAL 45 68.825 -8.458 0.461 303 HA VAL 45 HA VAL 45 66.040 -8.694 0.615 304 HB VAL 45 HB VAL 45 67.655 -6.149 0.255 305 1HG1 VAL 45 HG11 VAL 45 64.807 -6.727 0.869 306 2HG1 VAL 45 HG13 VAL 45 65.582 -5.490 1.860 307 3HG1 VAL 45 HG12 VAL 45 65.531 -5.310 0.107 308 1HG2 VAL 45 HG21 VAL 45 67.133 -7.989 2.551 309 2HG2 VAL 45 HG23 VAL 45 68.577 -7.050 2.174 310 3HG2 VAL 45 HG22 VAL 45 67.169 -6.257 2.879 311 H MET 46 HN MET 46 67.773 -6.678 -1.782 312 HA MET 46 HA MET 46 65.573 -6.118 -3.439 313 1HB MET 46 HB2 MET 46 68.474 -6.552 -4.212 314 2HB MET 46 HB1 MET 46 67.260 -5.818 -5.261 315 1HG MET 46 HG2 MET 46 66.933 -3.987 -3.719 316 2HG MET 46 HG1 MET 46 67.949 -4.766 -2.505 317 1HE MET 46 HE3 MET 46 67.684 -2.028 -4.180 318 2HE MET 46 HE2 MET 46 68.974 -1.831 -2.996 319 3HE MET 46 HE1 MET 46 69.282 -1.472 -4.694 320 H ARG 47 HN ARG 47 67.399 -9.078 -3.115 321 HA ARG 47 HA ARG 47 66.625 -10.283 -5.605 322 1HB ARG 47 HB2 ARG 47 68.459 -11.120 -4.102 323 2HB ARG 47 HB1 ARG 47 67.218 -11.687 -2.984 324 1HG ARG 47 HG2 ARG 47 67.273 -13.610 -4.184 325 2HG ARG 47 HG1 ARG 47 66.350 -12.715 -5.390 326 1HD ARG 47 HD2 ARG 47 68.151 -12.461 -6.783 327 2HD ARG 47 HD1 ARG 47 69.297 -12.343 -5.449 328 HE ARG 47 HE ARG 47 68.084 -14.984 -6.116 329 1HH1 ARG 47 HH11 ARG 47 70.523 -13.648 -4.371 330 2HH1 ARG 47 HH12 ARG 47 71.817 -14.544 -5.095 331 1HH2 ARG 47 HH21 ARG 47 69.859 -15.814 -7.660 332 2HH2 ARG 47 HH22 ARG 47 71.441 -15.769 -6.957 333 H MET 48 HN MET 48 65.185 -10.384 -2.340 334 HA MET 48 HA MET 48 63.006 -12.112 -3.134 335 1HB MET 48 HB2 MET 48 63.980 -10.987 -0.720 336 2HB MET 48 HB1 MET 48 62.306 -10.453 -0.890 337 1HG MET 48 HG2 MET 48 61.570 -12.762 -1.225 338 2HG MET 48 HG1 MET 48 63.239 -13.326 -1.154 339 1HE MET 48 HE1 MET 48 64.740 -13.307 0.819 340 2HE MET 48 HE3 MET 48 64.550 -11.559 1.028 341 3HE MET 48 HE2 MET 48 64.378 -12.640 2.408 342 H LEU 49 HN LEU 49 63.159 -8.589 -2.465 343 HA LEU 49 HA LEU 49 60.540 -7.876 -3.024 344 1HB LEU 49 HB2 LEU 49 62.821 -6.297 -4.214 345 2HB LEU 49 HB1 LEU 49 61.310 -5.697 -3.532 346 HG LEU 49 HG LEU 49 63.700 -6.827 -2.072 347 1HD1 LEU 49 HD12 LEU 49 63.627 -4.398 -2.558 348 2HD1 LEU 49 HD11 LEU 49 62.066 -4.293 -1.743 349 3HD1 LEU 49 HD13 LEU 49 63.512 -4.717 -0.827 350 1HD2 LEU 49 HD22 LEU 49 61.594 -7.897 -1.227 351 2HD2 LEU 49 HD21 LEU 49 62.369 -6.858 -0.030 352 3HD2 LEU 49 HD23 LEU 49 60.950 -6.287 -0.908 353 H GLY 50 HN GLY 50 63.135 -8.220 -5.472 354 1HA GLY 50 HA2 GLY 50 61.854 -9.641 -7.413 355 2HA GLY 50 HA1 GLY 50 61.166 -8.033 -7.641 356 H GLN 51 HN GLN 51 62.840 -6.231 -7.850 357 HA GLN 51 HA GLN 51 64.510 -6.603 -10.047 358 1HB GLN 51 HB2 GLN 51 65.545 -4.514 -9.495 359 2HB GLN 51 HB1 GLN 51 63.881 -4.403 -8.922 360 1HG GLN 51 HG2 GLN 51 65.154 -5.510 -6.749 361 2HG GLN 51 HG1 GLN 51 66.392 -4.426 -7.386 362 1HE2 GLN 51 HE21 GLN 51 65.471 -3.588 -4.996 363 2HE2 GLN 51 HE22 GLN 51 64.353 -2.319 -5.147 364 H ASN 52 HN ASN 52 66.782 -6.972 -10.282 365 HA ASN 52 HA ASN 52 68.253 -7.924 -7.888 366 1HB ASN 52 HB2 ASN 52 67.067 -9.879 -9.036 367 2HB ASN 52 HB1 ASN 52 68.135 -9.592 -10.411 368 1HD2 ASN 52 HD22 ASN 52 69.799 -10.943 -6.895 369 2HD2 ASN 52 HD21 ASN 52 68.344 -10.072 -6.837 370 HA PRO 53 HA PRO 53 70.920 -5.421 -10.597 371 1HB PRO 53 HB2 PRO 53 72.180 -4.165 -8.502 372 2HB PRO 53 HB1 PRO 53 70.656 -3.600 -9.209 373 1HG PRO 53 HG2 PRO 53 71.117 -5.004 -6.617 374 2HG PRO 53 HG1 PRO 53 69.814 -3.897 -7.077 375 1HD PRO 53 HD2 PRO 53 69.622 -6.717 -6.948 376 2HD PRO 53 HD1 PRO 53 68.452 -5.625 -7.721 377 H THR 54 HN THR 54 73.451 -5.162 -10.351 378 HA THR 54 HA THR 54 74.513 -7.853 -9.727 379 HB THR 54 HB THR 54 75.043 -6.700 -11.904 380 HG1 THR 54 HG1 THR 54 76.582 -8.100 -11.578 381 1HG2 THR 54 HG21 THR 54 75.522 -4.520 -10.221 382 2HG2 THR 54 HG23 THR 54 77.123 -5.014 -10.769 383 3HG2 THR 54 HG22 THR 54 75.874 -4.607 -11.947 384 H LYS 55 HN LYS 55 76.149 -8.203 -8.191 385 HA LYS 55 HA LYS 55 76.175 -6.632 -5.852 386 1HB LYS 55 HB2 LYS 55 77.585 -8.933 -6.855 387 2HB LYS 55 HB1 LYS 55 78.725 -7.854 -6.050 388 1HG LYS 55 HG2 LYS 55 77.229 -7.770 -4.073 389 2HG LYS 55 HG1 LYS 55 76.131 -8.897 -4.874 390 1HD LYS 55 HD2 LYS 55 77.435 -10.680 -4.384 391 2HD LYS 55 HD1 LYS 55 78.907 -9.833 -4.860 392 1HE LYS 55 HE2 LYS 55 79.429 -9.591 -2.687 393 2HE LYS 55 HE1 LYS 55 77.994 -8.585 -2.485 394 1HZ LYS 55 HZ1 LYS 55 76.864 -10.961 -2.456 395 2HZ LYS 55 HZ3 LYS 55 78.392 -11.408 -1.865 396 3HZ LYS 55 HZ2 LYS 55 77.476 -10.233 -1.048 397 H GLU 56 HN GLU 56 77.921 -6.211 -8.839 398 HA GLU 56 HA GLU 56 80.061 -4.576 -7.906 399 1HB GLU 56 HB2 GLU 56 78.958 -5.357 -10.432 400 2HB GLU 56 HB1 GLU 56 79.183 -3.608 -10.443 401 1HG GLU 56 HG2 GLU 56 81.511 -4.312 -9.301 402 2HG GLU 56 HG1 GLU 56 81.213 -5.777 -10.239 403 H GLU 57 HN GLU 57 77.253 -3.295 -9.708 404 HA GLU 57 HA GLU 57 77.548 -0.649 -8.685 405 1HB GLU 57 HB2 GLU 57 75.420 -2.155 -10.135 406 2HB GLU 57 HB1 GLU 57 74.942 -0.661 -9.329 407 1HG GLU 57 HG2 GLU 57 75.596 0.027 -11.501 408 2HG GLU 57 HG1 GLU 57 76.986 0.404 -10.481 409 H LEU 58 HN LEU 58 76.366 -3.485 -7.198 410 HA LEU 58 HA LEU 58 74.430 -2.293 -5.420 411 1HB LEU 58 HB2 LEU 58 74.885 -4.816 -5.982 412 2HB LEU 58 HB1 LEU 58 76.060 -4.706 -4.671 413 HG LEU 58 HG LEU 58 73.966 -3.511 -3.468 414 1HD1 LEU 58 HD13 LEU 58 72.804 -5.460 -5.479 415 2HD1 LEU 58 HD12 LEU 58 71.930 -4.882 -4.059 416 3HD1 LEU 58 HD11 LEU 58 72.424 -3.745 -5.315 417 1HD2 LEU 58 HD21 LEU 58 75.367 -5.648 -2.914 418 2HD2 LEU 58 HD23 LEU 58 73.757 -5.491 -2.214 419 3HD2 LEU 58 HD22 LEU 58 74.009 -6.521 -3.623 420 H ASP 59 HN ASP 59 77.883 -3.136 -5.035 421 HA ASP 59 HA ASP 59 78.147 -2.206 -2.356 422 1HB ASP 59 HB2 ASP 59 79.822 -3.457 -4.054 423 2HB ASP 59 HB1 ASP 59 80.441 -1.813 -4.214 424 H ALA 60 HN ALA 60 78.822 -0.505 -5.436 425 HA ALA 60 HA ALA 60 79.530 1.989 -4.257 426 1HB ALA 60 HB3 ALA 60 79.131 0.966 -6.882 427 2HB ALA 60 HB2 ALA 60 78.145 2.421 -6.737 428 3HB ALA 60 HB1 ALA 60 79.880 2.496 -6.422 429 H ILE 61 HN ILE 61 76.401 0.591 -5.097 430 HA ILE 61 HA ILE 61 74.835 2.957 -4.724 431 HB ILE 61 HB ILE 61 74.227 0.003 -4.568 432 1HG1 ILE 61 HG12 ILE 61 73.112 2.100 -6.435 433 2HG1 ILE 61 HG11 ILE 61 74.658 1.313 -6.751 434 1HG2 ILE 61 HG23 ILE 61 72.690 2.183 -3.433 435 2HG2 ILE 61 HG22 ILE 61 71.800 1.415 -4.748 436 3HG2 ILE 61 HG21 ILE 61 72.366 0.450 -3.384 437 1HD1 ILE 61 HD11 ILE 61 72.697 -0.674 -6.034 438 2HD1 ILE 61 HD13 ILE 61 72.075 0.323 -7.351 439 3HD1 ILE 61 HD12 ILE 61 73.615 -0.519 -7.532 440 H ILE 62 HN ILE 62 75.865 0.396 -2.479 441 HA ILE 62 HA ILE 62 74.396 1.331 -0.212 442 HB ILE 62 HB ILE 62 76.993 -0.221 -0.416 443 1HG1 ILE 62 HG12 ILE 62 74.277 -1.222 0.440 444 2HG1 ILE 62 HG11 ILE 62 74.723 -1.150 -1.265 445 1HG2 ILE 62 HG23 ILE 62 75.277 0.505 1.969 446 2HG2 ILE 62 HG22 ILE 62 76.407 -0.849 1.988 447 3HG2 ILE 62 HG21 ILE 62 77.003 0.793 1.752 448 1HD1 ILE 62 HD12 ILE 62 76.637 -2.419 0.654 449 2HD1 ILE 62 HD11 ILE 62 75.207 -3.330 0.169 450 3HD1 ILE 62 HD13 ILE 62 76.358 -2.780 -1.049 451 H GLU 63 HN GLU 63 77.391 2.374 -1.687 452 HA GLU 63 HA GLU 63 78.421 3.860 0.549 453 1HB GLU 63 HB2 GLU 63 79.067 3.482 -2.258 454 2HB GLU 63 HB1 GLU 63 79.249 5.173 -1.792 455 1HG GLU 63 HG2 GLU 63 80.310 3.200 0.147 456 2HG GLU 63 HG1 GLU 63 81.173 3.297 -1.388 457 H GLU 64 HN GLU 64 75.931 4.513 -1.804 458 HA GLU 64 HA GLU 64 75.858 7.379 -1.021 459 1HB GLU 64 HB2 GLU 64 74.455 5.781 -3.174 460 2HB GLU 64 HB1 GLU 64 74.021 7.450 -2.799 461 1HG GLU 64 HG2 GLU 64 76.745 6.453 -3.684 462 2HG GLU 64 HG1 GLU 64 75.632 7.446 -4.627 463 H VAL 65 HN VAL 65 74.432 4.412 -0.164 464 HA VAL 65 HA VAL 65 71.865 5.600 0.670 465 HB VAL 65 HB VAL 65 73.013 2.823 1.088 466 1HG1 VAL 65 HG13 VAL 65 71.251 3.680 2.751 467 2HG1 VAL 65 HG12 VAL 65 70.135 3.703 1.386 468 3HG1 VAL 65 HG11 VAL 65 70.867 2.183 1.901 469 1HG2 VAL 65 HG21 VAL 65 72.529 3.521 -1.287 470 2HG2 VAL 65 HG23 VAL 65 71.546 2.170 -0.730 471 3HG2 VAL 65 HG22 VAL 65 70.852 3.788 -0.810 472 H ASP 66 HN ASP 66 74.816 4.306 2.188 473 HA ASP 66 HA ASP 66 73.856 4.872 4.884 474 1HB ASP 66 HB2 ASP 66 75.949 3.372 3.769 475 2HB ASP 66 HB1 ASP 66 76.747 4.676 4.650 476 H GLU 67 HN GLU 67 73.280 7.163 4.486 477 HA GLU 67 HA GLU 67 75.263 9.120 3.776 478 1HB GLU 67 HB2 GLU 67 73.645 10.759 4.466 479 2HB GLU 67 HB1 GLU 67 72.742 9.435 3.729 480 1HG GLU 67 HG2 GLU 67 72.856 8.591 6.321 481 2HG GLU 67 HG1 GLU 67 72.797 10.341 6.543 482 H ASP 68 HN ASP 68 74.564 7.429 6.719 483 HA ASP 68 HA ASP 68 76.153 9.382 8.302 484 1HB ASP 68 HB2 ASP 68 75.470 7.754 10.205 485 2HB ASP 68 HB1 ASP 68 74.212 8.769 9.496 486 H GLY 69 HN GLY 69 76.567 6.522 6.547 487 1HA GLY 69 HA2 GLY 69 78.349 5.001 6.408 488 2HA GLY 69 HA1 GLY 69 79.323 6.270 7.152 489 H SER 70 HN SER 70 76.527 5.116 8.853 490 HA SER 70 HA SER 70 78.052 4.395 11.169 491 1HB SER 70 HB2 SER 70 75.930 3.486 12.027 492 2HB SER 70 HB1 SER 70 75.666 5.052 11.265 493 HG SER 70 HG SER 70 74.374 2.923 10.721 494 H GLY 71 HN GLY 71 77.552 2.754 8.242 495 1HA GLY 71 HA2 GLY 71 78.553 0.676 7.637 496 2HA GLY 71 HA1 GLY 71 78.836 0.344 9.345 497 H THR 72 HN THR 72 75.683 1.405 8.962 498 HA THR 72 HA THR 72 74.630 -1.330 8.437 499 HB THR 72 HB THR 72 72.988 -0.437 10.464 500 HG1 THR 72 HG1 THR 72 75.679 0.237 11.050 501 1HG2 THR 72 HG21 THR 72 75.380 -2.267 10.399 502 2HG2 THR 72 HG23 THR 72 74.448 -2.048 11.879 503 3HG2 THR 72 HG22 THR 72 73.669 -2.690 10.433 504 H ILE 73 HN ILE 73 72.580 -1.318 7.467 505 HA ILE 73 HA ILE 73 71.654 1.354 6.546 506 HB ILE 73 HB ILE 73 71.018 -1.457 5.614 507 1HG1 ILE 73 HG12 ILE 73 73.271 -0.309 5.078 508 2HG1 ILE 73 HG11 ILE 73 72.347 -0.943 3.717 509 1HG2 ILE 73 HG23 ILE 73 69.694 1.145 5.122 510 2HG2 ILE 73 HG22 ILE 73 70.044 0.192 3.679 511 3HG2 ILE 73 HG21 ILE 73 69.054 -0.492 4.969 512 1HD1 ILE 73 HD13 ILE 73 71.556 1.784 4.363 513 2HD1 ILE 73 HD12 ILE 73 73.280 1.678 4.008 514 3HD1 ILE 73 HD11 ILE 73 72.100 1.114 2.825 515 H ASP 74 HN ASP 74 69.536 2.064 6.940 516 HA ASP 74 HA ASP 74 67.977 0.412 8.889 517 1HB ASP 74 HB2 ASP 74 68.098 3.435 8.649 518 2HB ASP 74 HB1 ASP 74 67.124 2.536 9.812 519 H PHE 75 HN PHE 75 65.560 0.970 8.792 520 HA PHE 75 HA PHE 75 64.508 0.428 6.245 521 1HB PHE 75 HB2 PHE 75 63.347 0.341 8.554 522 2HB PHE 75 HB1 PHE 75 62.988 2.047 8.287 523 HD1 PHE 75 HD2 PHE 75 63.127 -0.869 5.948 524 HD2 PHE 75 HD1 PHE 75 60.731 2.242 7.686 525 HE1 PHE 75 HE2 PHE 75 61.237 -1.496 4.467 526 HE2 PHE 75 HE1 PHE 75 58.841 1.616 6.207 527 HZ PHE 75 HZ PHE 75 59.096 -0.253 4.595 528 H GLU 76 HN GLU 76 64.776 3.607 7.867 529 HA GLU 76 HA GLU 76 63.615 5.153 5.798 530 1HB GLU 76 HB2 GLU 76 65.872 5.933 7.668 531 2HB GLU 76 HB1 GLU 76 64.853 7.053 6.762 532 1HG GLU 76 HG2 GLU 76 62.895 5.727 7.954 533 2HG GLU 76 HG1 GLU 76 64.158 5.346 9.124 534 H GLU 77 HN GLU 77 66.808 3.733 6.070 535 HA GLU 77 HA GLU 77 67.828 5.256 3.763 536 1HB GLU 77 HB2 GLU 77 69.027 2.995 5.392 537 2HB GLU 77 HB1 GLU 77 69.867 3.843 4.093 538 1HG GLU 77 HG2 GLU 77 69.598 5.975 5.306 539 2HG GLU 77 HG1 GLU 77 68.760 5.130 6.607 540 H PHE 78 HN PHE 78 66.194 2.270 4.366 541 HA PHE 78 HA PHE 78 67.115 0.824 2.055 542 1HB PHE 78 HB2 PHE 78 66.070 -0.635 3.495 543 2HB PHE 78 HB1 PHE 78 64.918 0.574 4.051 544 HD1 PHE 78 HD2 PHE 78 63.044 1.273 2.459 545 HD2 PHE 78 HD1 PHE 78 65.451 -2.230 1.861 546 HE1 PHE 78 HE2 PHE 78 61.312 0.344 0.942 547 HE2 PHE 78 HE1 PHE 78 63.723 -3.162 0.343 548 HZ PHE 78 HZ PHE 78 61.655 -1.875 -0.116 549 H LEU 79 HN LEU 79 64.340 2.979 2.655 550 HA LEU 79 HA LEU 79 63.084 2.713 0.128 551 1HB LEU 79 HB2 LEU 79 63.299 5.230 1.812 552 2HB LEU 79 HB1 LEU 79 62.077 4.897 0.584 553 HG LEU 79 HG LEU 79 62.494 3.120 2.997 554 1HD1 LEU 79 HD12 LEU 79 61.651 5.722 3.167 555 2HD1 LEU 79 HD11 LEU 79 60.124 4.877 2.912 556 3HD1 LEU 79 HD13 LEU 79 61.153 4.443 4.276 557 1HD2 LEU 79 HD21 LEU 79 61.078 2.778 0.622 558 2HD2 LEU 79 HD23 LEU 79 60.816 1.879 2.118 559 3HD2 LEU 79 HD22 LEU 79 59.847 3.311 1.767 560 H VAL 80 HN VAL 80 65.880 4.609 1.139 561 HA VAL 80 HA VAL 80 66.095 6.174 -1.272 562 HB VAL 80 HB VAL 80 68.039 5.412 0.916 563 1HG1 VAL 80 HG13 VAL 80 68.572 6.622 -1.751 564 2HG1 VAL 80 HG12 VAL 80 69.347 7.394 -0.366 565 3HG1 VAL 80 HG11 VAL 80 69.641 5.686 -0.706 566 1HG2 VAL 80 HG21 VAL 80 66.643 7.956 0.042 567 2HG2 VAL 80 HG23 VAL 80 66.423 7.078 1.556 568 3HG2 VAL 80 HG22 VAL 80 67.935 7.930 1.242 569 H MET 81 HN MET 81 68.069 3.392 -0.171 570 HA MET 81 HA MET 81 69.408 2.923 -2.603 571 1HB MET 81 HB2 MET 81 69.756 1.799 -0.312 572 2HB MET 81 HB1 MET 81 68.469 0.695 -0.793 573 1HG MET 81 HG2 MET 81 69.764 0.196 -2.884 574 2HG MET 81 HG1 MET 81 71.085 1.170 -2.239 575 1HE MET 81 HE1 MET 81 71.131 0.890 0.573 576 2HE MET 81 HE3 MET 81 71.951 -0.594 1.077 577 3HE MET 81 HE2 MET 81 72.653 0.423 -0.179 578 H MET 82 HN MET 82 66.106 2.289 -1.733 579 HA MET 82 HA MET 82 65.589 0.308 -3.773 580 1HB MET 82 HB2 MET 82 63.922 0.167 -2.214 581 2HB MET 82 HB1 MET 82 64.053 1.865 -1.774 582 1HG MET 82 HG2 MET 82 61.895 1.536 -2.793 583 2HG MET 82 HG1 MET 82 62.893 2.429 -3.938 584 1HE MET 82 HE3 MET 82 62.204 -0.900 -2.547 585 2HE MET 82 HE2 MET 82 61.924 -2.013 -3.884 586 3HE MET 82 HE1 MET 82 63.572 -1.587 -3.432 587 H VAL 83 HN VAL 83 64.707 3.776 -3.515 588 HA VAL 83 HA VAL 83 63.933 3.917 -6.309 589 HB VAL 83 HB VAL 83 64.651 6.291 -4.594 590 1HG1 VAL 83 HG12 VAL 83 63.207 5.760 -7.093 591 2HG1 VAL 83 HG11 VAL 83 62.294 6.759 -5.963 592 3HG1 VAL 83 HG13 VAL 83 63.896 7.269 -6.492 593 1HG2 VAL 83 HG21 VAL 83 62.437 4.320 -4.270 594 2HG2 VAL 83 HG23 VAL 83 63.240 5.318 -3.056 595 3HG2 VAL 83 HG22 VAL 83 62.019 6.027 -4.114 596 H ARG 84 HN ARG 84 66.920 3.601 -4.933 597 HA ARG 84 HA ARG 84 68.457 5.576 -6.341 598 1HB ARG 84 HB2 ARG 84 68.979 3.579 -4.462 599 2HB ARG 84 HB1 ARG 84 69.876 3.071 -5.894 600 1HG ARG 84 HG2 ARG 84 71.460 4.519 -5.141 601 2HG ARG 84 HG1 ARG 84 70.418 5.752 -5.854 602 1HD ARG 84 HD2 ARG 84 69.720 4.862 -3.105 603 2HD ARG 84 HD1 ARG 84 71.192 5.819 -3.270 604 HE ARG 84 HE ARG 84 68.446 6.752 -3.893 605 1HH1 ARG 84 HH21 ARG 84 70.155 7.968 -5.914 606 2HH1 ARG 84 HH22 ARG 84 70.791 9.371 -5.123 607 1HH2 ARG 84 HH11 ARG 84 69.994 8.265 -1.936 608 2HH2 ARG 84 HH12 ARG 84 70.700 9.539 -2.873 609 H GLN 85 HN GLN 85 67.003 2.578 -7.347 610 HA GLN 85 HA GLN 85 68.291 2.962 -10.011 611 1HB GLN 85 HB2 GLN 85 68.479 0.503 -10.250 612 2HB GLN 85 HB1 GLN 85 69.449 1.104 -8.906 613 1HG GLN 85 HG2 GLN 85 66.911 0.597 -7.809 614 2HG GLN 85 HG1 GLN 85 67.244 -0.777 -8.864 615 1HE2 GLN 85 HE22 GLN 85 70.078 -0.066 -5.962 616 2HE2 GLN 85 HE21 GLN 85 69.419 1.248 -6.812 617 H MET 86 HN MET 86 65.524 1.787 -8.150 618 HA MET 86 HA MET 86 63.988 0.896 -10.414 619 1HB MET 86 HB2 MET 86 62.132 0.795 -8.918 620 2HB MET 86 HB1 MET 86 63.543 0.401 -7.938 621 1HG MET 86 HG2 MET 86 63.032 2.106 -6.563 622 2HG MET 86 HG1 MET 86 63.281 3.228 -7.902 623 1HE MET 86 HE2 MET 86 61.512 2.391 -5.300 624 2HE MET 86 HE1 MET 86 60.769 3.962 -5.586 625 3HE MET 86 HE3 MET 86 59.770 2.503 -5.542 626 H LYS 87 HN LYS 87 64.770 4.023 -9.178 627 HA LYS 87 HA LYS 87 62.557 5.564 -10.021 628 1HB LYS 87 HB2 LYS 87 65.032 6.116 -8.952 629 2HB LYS 87 HB1 LYS 87 65.178 6.784 -10.579 630 1HG LYS 87 HG2 LYS 87 62.632 7.571 -9.762 631 2HG LYS 87 HG1 LYS 87 63.620 7.764 -8.315 632 1HD LYS 87 HD2 LYS 87 65.308 8.991 -9.761 633 2HD LYS 87 HD1 LYS 87 64.098 8.982 -11.044 634 1HE LYS 87 HE2 LYS 87 62.807 10.557 -10.017 635 2HE LYS 87 HE1 LYS 87 63.128 9.912 -8.407 636 1HZ LYS 87 HZ3 LYS 87 65.212 11.324 -9.954 637 2HZ LYS 87 HZ2 LYS 87 64.107 12.168 -8.977 638 3HZ LYS 87 HZ1 LYS 87 65.156 11.024 -8.287 639 H GLU 88 HN GLU 88 65.613 5.365 -11.873 640 HA GLU 88 HA GLU 88 64.064 5.835 -14.350 641 1HB GLU 88 HB2 GLU 88 66.192 6.254 -15.399 642 2HB GLU 88 HB1 GLU 88 66.221 7.064 -13.832 643 1HG GLU 88 HG2 GLU 88 68.254 5.960 -13.741 644 2HG GLU 88 HG1 GLU 88 67.209 4.730 -13.031 645 H ASP 89 HN ASP 89 64.647 4.450 -16.286 646 HA ASP 89 HA ASP 89 65.003 1.610 -15.413 647 1HB ASP 89 HB2 ASP 89 62.775 2.479 -16.513 648 2HB ASP 89 HB1 ASP 89 63.702 2.375 -18.010 649 H ALA 90 HN ALA 90 67.057 0.989 -15.906 650 HA ALA 90 HA ALA 90 68.882 0.448 -17.298 651 1HB ALA 90 HB3 ALA 90 66.930 0.484 -19.088 652 2HB ALA 90 HB2 ALA 90 67.700 1.993 -19.580 653 3HB ALA 90 HB1 ALA 90 68.615 0.485 -19.608 No H/Q in entry = 653 Start of MODEL 23 1 1H ALA 1 HT2 ALA 1 71.113 8.338 14.618 2 2H ALA 1 HT1 ALA 1 72.525 7.879 13.792 3 3H ALA 1 HT3 ALA 1 72.338 9.479 14.326 4 HA ALA 1 HA ALA 1 71.956 9.327 11.947 5 1HB ALA 1 HB3 ALA 1 70.556 6.961 12.781 6 2HB ALA 1 HB2 ALA 1 69.430 8.021 11.935 7 3HB ALA 1 HB1 ALA 1 70.917 7.500 11.142 8 H SER 2 HN SER 2 70.220 10.638 10.949 9 HA SER 2 HA SER 2 68.325 11.840 12.907 10 1HB SER 2 HB2 SER 2 70.322 13.303 12.812 11 2HB SER 2 HB1 SER 2 70.150 13.416 11.063 12 HG SER 2 HG SER 2 67.842 14.068 11.812 13 H MET 3 HN MET 3 69.221 12.742 9.578 14 HA MET 3 HA MET 3 67.103 11.397 8.250 15 1HB MET 3 HB2 MET 3 65.752 12.936 9.760 16 2HB MET 3 HB1 MET 3 66.416 14.287 8.839 17 1HG MET 3 HG2 MET 3 65.382 13.562 6.825 18 2HG MET 3 HG1 MET 3 65.029 11.967 7.489 19 1HE MET 3 HE2 MET 3 63.064 11.275 8.549 20 2HE MET 3 HE1 MET 3 63.685 11.982 10.038 21 3HE MET 3 HE3 MET 3 62.000 12.240 9.569 22 H THR 4 HN THR 4 68.834 11.256 6.718 23 HA THR 4 HA THR 4 70.114 13.611 5.627 24 HB THR 4 HB THR 4 70.452 11.715 3.691 25 HG1 THR 4 HG1 THR 4 69.286 10.127 4.628 26 1HG2 THR 4 HG21 THR 4 71.863 12.621 6.089 27 2HG2 THR 4 HG23 THR 4 72.305 10.979 5.618 28 3HG2 THR 4 HG22 THR 4 72.489 12.307 4.470 29 H ASP 5 HN ASP 5 69.872 14.263 3.305 30 HA ASP 5 HA ASP 5 67.105 14.788 2.683 31 1HB ASP 5 HB2 ASP 5 69.699 15.207 1.193 32 2HB ASP 5 HB1 ASP 5 68.142 15.593 0.460 33 H GLN 6 HN GLN 6 69.337 12.256 1.822 34 HA GLN 6 HA GLN 6 68.149 11.328 -0.584 35 1HB GLN 6 HB2 GLN 6 69.240 9.225 -0.136 36 2HB GLN 6 HB1 GLN 6 70.306 10.501 0.457 37 1HG GLN 6 HG2 GLN 6 69.176 10.184 2.733 38 2HG GLN 6 HG1 GLN 6 68.487 8.702 2.068 39 1HE2 GLN 6 HE22 GLN 6 72.117 7.644 1.464 40 2HE2 GLN 6 HE21 GLN 6 70.927 8.188 0.380 41 H GLN 7 HN GLN 7 67.220 10.873 2.790 42 HA GLN 7 HA GLN 7 65.177 8.885 2.167 43 1HB GLN 7 HB2 GLN 7 65.829 10.514 4.630 44 2HB GLN 7 HB1 GLN 7 64.438 9.430 4.561 45 1HG GLN 7 HG2 GLN 7 65.781 7.515 4.327 46 2HG GLN 7 HG1 GLN 7 67.180 8.449 3.794 47 1HE2 GLN 7 HE22 GLN 7 68.287 8.005 7.155 48 2HE2 GLN 7 HE21 GLN 7 68.485 7.483 5.552 49 H ALA 8 HN ALA 8 65.347 12.373 2.377 50 HA ALA 8 HA ALA 8 62.500 12.826 2.595 51 1HB ALA 8 HB3 ALA 8 64.784 14.416 2.685 52 2HB ALA 8 HB2 ALA 8 63.983 14.922 1.197 53 3HB ALA 8 HB1 ALA 8 63.119 14.997 2.733 54 H GLU 9 HN GLU 9 64.737 12.376 -0.097 55 HA GLU 9 HA GLU 9 62.664 13.027 -2.082 56 1HB GLU 9 HB2 GLU 9 65.566 12.485 -2.096 57 2HB GLU 9 HB1 GLU 9 64.698 11.854 -3.496 58 1HG GLU 9 HG2 GLU 9 64.737 13.936 -4.357 59 2HG GLU 9 HG1 GLU 9 63.633 14.419 -3.068 60 H ALA 10 HN ALA 10 64.210 10.158 -0.708 61 HA ALA 10 HA ALA 10 63.065 8.280 -2.571 62 1HB ALA 10 HB2 ALA 10 65.017 7.826 -1.029 63 2HB ALA 10 HB1 ALA 10 63.865 7.747 0.302 64 3HB ALA 10 HB3 ALA 10 63.772 6.577 -1.014 65 H ARG 11 HN ARG 11 62.201 8.855 0.863 66 HA ARG 11 HA ARG 11 59.728 7.448 0.734 67 1HB ARG 11 HB2 ARG 11 61.140 8.527 2.757 68 2HB ARG 11 HB1 ARG 11 59.926 9.794 2.559 69 1HG ARG 11 HG2 ARG 11 58.286 8.500 3.424 70 2HG ARG 11 HG1 ARG 11 58.775 7.103 2.466 71 1HD ARG 11 HD2 ARG 11 59.582 6.199 4.366 72 2HD ARG 11 HD1 ARG 11 60.836 7.439 4.336 73 HE ARG 11 HE ARG 11 58.682 7.324 6.218 74 1HH1 ARG 11 HH11 ARG 11 61.220 9.194 5.080 75 2HH1 ARG 11 HH12 ARG 11 60.620 10.700 5.691 76 1HH2 ARG 11 HH21 ARG 11 57.546 9.397 6.630 77 2HH2 ARG 11 HH22 ARG 11 58.540 10.815 6.566 78 H ALA 12 HN ALA 12 60.604 10.696 -0.220 79 HA ALA 12 HA ALA 12 57.913 11.749 -0.312 80 1HB ALA 12 HB2 ALA 12 60.526 12.571 -1.586 81 2HB ALA 12 HB1 ALA 12 59.022 13.428 -1.923 82 3HB ALA 12 HB3 ALA 12 59.651 13.366 -0.277 83 H PHE 13 HN PHE 13 59.943 9.958 -2.574 84 HA PHE 13 HA PHE 13 57.993 10.304 -4.756 85 1HB PHE 13 HB2 PHE 13 60.379 10.233 -5.316 86 2HB PHE 13 HB1 PHE 13 60.524 8.643 -4.566 87 HD1 PHE 13 HD1 PHE 13 58.513 10.440 -7.173 88 HD2 PHE 13 HD2 PHE 13 60.264 6.737 -5.885 89 HE1 PHE 13 HE1 PHE 13 57.809 9.369 -9.296 90 HE2 PHE 13 HE2 PHE 13 59.560 5.665 -8.008 91 HZ PHE 13 HZ PHE 13 58.333 6.981 -9.714 92 H LEU 14 HN LEU 14 58.663 8.072 -2.196 93 HA LEU 14 HA LEU 14 57.099 5.915 -3.491 94 1HB LEU 14 HB2 LEU 14 58.364 5.995 -0.735 95 2HB LEU 14 HB1 LEU 14 57.719 4.571 -1.550 96 HG LEU 14 HG LEU 14 59.946 6.254 -2.715 97 1HD1 LEU 14 HD11 LEU 14 60.480 5.185 -0.450 98 2HD1 LEU 14 HD13 LEU 14 60.273 3.628 -1.251 99 3HD1 LEU 14 HD12 LEU 14 61.536 4.735 -1.789 100 1HD2 LEU 14 HD23 LEU 14 58.565 4.748 -4.206 101 2HD2 LEU 14 HD22 LEU 14 60.280 4.341 -4.158 102 3HD2 LEU 14 HD21 LEU 14 59.120 3.383 -3.237 103 H SER 15 HN SER 15 55.018 5.373 -2.863 104 HA SER 15 HA SER 15 53.585 7.359 -1.236 105 1HB SER 15 HB2 SER 15 52.904 5.495 -3.303 106 2HB SER 15 HB1 SER 15 51.916 5.140 -1.888 107 HG SER 15 HG SER 15 51.425 6.973 -3.585 108 H GLU 16 HN GLU 16 52.102 6.571 0.528 109 HA GLU 16 HA GLU 16 53.533 5.171 2.541 110 1HB GLU 16 HB2 GLU 16 51.352 5.061 3.729 111 2HB GLU 16 HB1 GLU 16 51.661 6.667 3.069 112 1HG GLU 16 HG2 GLU 16 50.394 5.472 0.962 113 2HG GLU 16 HG1 GLU 16 49.591 4.696 2.328 114 H GLU 17 HN GLU 17 51.251 4.025 0.097 115 HA GLU 17 HA GLU 17 50.940 1.378 1.196 116 1HB GLU 17 HB2 GLU 17 49.966 2.837 -1.052 117 2HB GLU 17 HB1 GLU 17 50.675 1.339 -1.656 118 1HG GLU 17 HG2 GLU 17 49.327 0.033 -0.083 119 2HG GLU 17 HG1 GLU 17 48.657 1.513 0.599 120 H MET 18 HN MET 18 53.301 2.862 -0.958 121 HA MET 18 HA MET 18 54.498 0.349 -1.784 122 1HB MET 18 HB2 MET 18 54.882 3.171 -2.312 123 2HB MET 18 HB1 MET 18 56.431 2.384 -2.008 124 1HG MET 18 HG2 MET 18 56.281 1.059 -3.875 125 2HG MET 18 HG1 MET 18 54.527 0.917 -3.759 126 1HE MET 18 HE1 MET 18 57.280 1.880 -5.454 127 2HE MET 18 HE3 MET 18 56.112 1.672 -6.767 128 3HE MET 18 HE2 MET 18 56.924 3.218 -6.543 129 H ILE 19 HN ILE 19 55.621 2.927 0.444 130 HA ILE 19 HA ILE 19 57.886 1.553 1.427 131 HB ILE 19 HB ILE 19 56.052 3.558 2.762 132 1HG1 ILE 19 HG12 ILE 19 58.769 4.389 2.228 133 2HG1 ILE 19 HG11 ILE 19 58.036 3.755 0.756 134 1HG2 ILE 19 HG21 ILE 19 58.405 2.050 3.786 135 2HG2 ILE 19 HG23 ILE 19 58.357 3.776 4.143 136 3HG2 ILE 19 HG22 ILE 19 57.037 2.730 4.666 137 1HD1 ILE 19 HD12 ILE 19 56.806 5.865 2.552 138 2HD1 ILE 19 HD11 ILE 19 57.598 6.179 1.009 139 3HD1 ILE 19 HD13 ILE 19 56.102 5.245 1.058 140 H ALA 20 HN ALA 20 54.635 1.718 2.933 141 HA ALA 20 HA ALA 20 55.098 -0.090 5.032 142 1HB ALA 20 HB3 ALA 20 52.901 1.261 4.065 143 2HB ALA 20 HB2 ALA 20 52.469 -0.420 3.754 144 3HB ALA 20 HB1 ALA 20 52.866 0.101 5.392 145 H GLU 21 HN GLU 21 54.844 -0.719 1.631 146 HA GLU 21 HA GLU 21 54.172 -3.536 1.881 147 1HB GLU 21 HB2 GLU 21 54.642 -1.639 -0.257 148 2HB GLU 21 HB1 GLU 21 55.515 -3.141 -0.564 149 1HG GLU 21 HG2 GLU 21 53.556 -4.436 -0.544 150 2HG GLU 21 HG1 GLU 21 52.645 -3.212 0.343 151 H PHE 22 HN PHE 22 57.205 -1.742 1.278 152 HA PHE 22 HA PHE 22 58.847 -4.118 1.234 153 1HB PHE 22 HB2 PHE 22 59.706 -1.290 1.904 154 2HB PHE 22 HB1 PHE 22 60.724 -2.595 1.298 155 HD1 PHE 22 HD1 PHE 22 59.781 -3.732 -0.953 156 HD2 PHE 22 HD2 PHE 22 58.940 0.271 0.358 157 HE1 PHE 22 HE1 PHE 22 59.226 -3.087 -3.282 158 HE2 PHE 22 HE2 PHE 22 58.384 0.917 -1.973 159 HZ PHE 22 HZ PHE 22 58.527 -0.763 -3.792 160 H LYS 23 HN LYS 23 57.588 -2.079 3.777 161 HA LYS 23 HA LYS 23 59.359 -2.522 5.884 162 1HB LYS 23 HB2 LYS 23 56.689 -1.641 5.621 163 2HB LYS 23 HB1 LYS 23 56.656 -2.933 6.822 164 1HG LYS 23 HG2 LYS 23 58.376 -0.440 6.864 165 2HG LYS 23 HG1 LYS 23 57.100 -0.876 7.999 166 1HD LYS 23 HD2 LYS 23 58.536 -3.019 8.408 167 2HD LYS 23 HD1 LYS 23 59.844 -2.072 7.697 168 1HE LYS 23 HE2 LYS 23 59.346 -0.257 9.361 169 2HE LYS 23 HE1 LYS 23 58.186 -1.341 10.127 170 1HZ LYS 23 HZ2 LYS 23 60.974 -2.186 9.658 171 2HZ LYS 23 HZ1 LYS 23 60.560 -1.275 11.032 172 3HZ LYS 23 HZ3 LYS 23 59.850 -2.795 10.778 173 H ALA 24 HN ALA 24 56.938 -4.755 4.569 174 HA ALA 24 HA ALA 24 57.134 -6.775 6.557 175 1HB ALA 24 HB3 ALA 24 55.816 -6.471 4.116 176 2HB ALA 24 HB2 ALA 24 56.879 -7.855 3.860 177 3HB ALA 24 HB1 ALA 24 55.714 -7.870 5.184 178 H ALA 25 HN ALA 25 58.965 -6.408 3.506 179 HA ALA 25 HA ALA 25 60.617 -8.696 3.846 180 1HB ALA 25 HB2 ALA 25 60.453 -7.403 1.731 181 2HB ALA 25 HB1 ALA 25 61.323 -6.072 2.496 182 3HB ALA 25 HB3 ALA 25 62.127 -7.621 2.239 183 H PHE 26 HN PHE 26 60.939 -5.389 5.078 184 HA PHE 26 HA PHE 26 63.608 -5.573 6.032 185 1HB PHE 26 HB2 PHE 26 61.948 -3.545 5.969 186 2HB PHE 26 HB1 PHE 26 61.494 -4.101 7.581 187 HD1 PHE 26 HD1 PHE 26 64.560 -3.396 5.532 188 HD2 PHE 26 HD2 PHE 26 62.722 -3.345 9.414 189 HE1 PHE 26 HE1 PHE 26 66.584 -2.317 6.477 190 HE2 PHE 26 HE2 PHE 26 64.746 -2.266 10.358 191 HZ PHE 26 HZ PHE 26 66.677 -1.753 8.890 192 H ASP 27 HN ASP 27 60.537 -6.333 7.702 193 HA ASP 27 HA ASP 27 61.645 -7.098 10.187 194 1HB ASP 27 HB2 ASP 27 59.131 -6.949 9.271 195 2HB ASP 27 HB1 ASP 27 59.359 -8.694 9.133 196 H MET 28 HN MET 28 61.858 -8.663 7.127 197 HA MET 28 HA MET 28 62.323 -11.343 8.180 198 1HB MET 28 HB2 MET 28 62.278 -10.035 5.529 199 2HB MET 28 HB1 MET 28 63.403 -11.386 5.674 200 1HG MET 28 HG2 MET 28 61.730 -12.928 5.947 201 2HG MET 28 HG1 MET 28 60.700 -11.804 6.836 202 1HE MET 28 HE1 MET 28 62.720 -11.684 3.840 203 2HE MET 28 HE3 MET 28 61.657 -11.767 2.428 204 3HE MET 28 HE2 MET 28 61.946 -10.224 3.229 205 H PHE 29 HN PHE 29 64.328 -8.581 7.267 206 HA PHE 29 HA PHE 29 66.778 -10.182 7.753 207 1HB PHE 29 HB2 PHE 29 66.874 -7.267 7.085 208 2HB PHE 29 HB1 PHE 29 67.943 -8.570 6.568 209 HD1 PHE 29 HD1 PHE 29 66.780 -10.444 5.085 210 HD2 PHE 29 HD2 PHE 29 65.316 -6.436 5.565 211 HE1 PHE 29 HE1 PHE 29 65.489 -10.665 2.980 212 HE2 PHE 29 HE2 PHE 29 64.022 -6.657 3.460 213 HZ PHE 29 HZ PHE 29 64.109 -8.771 2.167 214 H ASP 30 HN ASP 30 64.645 -8.335 9.555 215 HA ASP 30 HA ASP 30 66.793 -7.322 11.353 216 1HB ASP 30 HB2 ASP 30 65.175 -5.859 12.299 217 2HB ASP 30 HB1 ASP 30 64.859 -5.827 10.564 218 H ALA 31 HN ALA 31 66.388 -10.121 11.299 219 HA ALA 31 HA ALA 31 64.581 -11.098 13.269 220 1HB ALA 31 HB2 ALA 31 66.901 -12.103 11.800 221 2HB ALA 31 HB1 ALA 31 66.807 -12.757 13.436 222 3HB ALA 31 HB3 ALA 31 65.452 -12.961 12.326 223 H ASP 32 HN ASP 32 67.506 -9.291 13.571 224 HA ASP 32 HA ASP 32 68.005 -10.114 16.346 225 1HB ASP 32 HB2 ASP 32 69.305 -8.324 14.353 226 2HB ASP 32 HB1 ASP 32 69.541 -7.920 16.054 227 H GLY 33 HN GLY 33 66.563 -7.371 14.629 228 1HA GLY 33 HA2 GLY 33 64.771 -6.060 15.598 229 2HA GLY 33 HA1 GLY 33 65.340 -6.524 17.201 230 H GLY 34 HN GLY 34 67.837 -5.649 15.040 231 1HA GLY 34 HA2 GLY 34 68.496 -3.316 16.658 232 2HA GLY 34 HA1 GLY 34 69.398 -3.887 15.254 233 H GLY 35 HN GLY 35 66.647 -3.880 13.809 234 1HA GLY 35 HA2 GLY 35 65.320 -2.324 12.619 235 2HA GLY 35 HA1 GLY 35 65.999 -1.038 13.618 236 H ASP 36 HN ASP 36 68.285 -3.151 12.155 237 HA ASP 36 HA ASP 36 68.580 -1.671 9.667 238 1HB ASP 36 HB2 ASP 36 70.821 -0.720 10.246 239 2HB ASP 36 HB1 ASP 36 69.512 0.010 11.174 240 H ILE 37 HN ILE 37 69.387 -3.173 8.277 241 HA ILE 37 HA ILE 37 71.021 -5.384 9.436 242 HB ILE 37 HB ILE 37 70.166 -6.818 7.804 243 1HG1 ILE 37 HG12 ILE 37 70.791 -5.328 5.878 244 2HG1 ILE 37 HG11 ILE 37 69.228 -6.115 5.670 245 1HG2 ILE 37 HG21 ILE 37 68.341 -5.174 9.170 246 2HG2 ILE 37 HG23 ILE 37 67.717 -5.301 7.523 247 3HG2 ILE 37 HG22 ILE 37 68.020 -6.760 8.469 248 1HD1 ILE 37 HD12 ILE 37 68.293 -3.941 6.811 249 2HD1 ILE 37 HD11 ILE 37 69.826 -3.240 6.296 250 3HD1 ILE 37 HD13 ILE 37 68.719 -3.913 5.101 251 H SER 38 HN SER 38 73.114 -5.656 8.738 252 HA SER 38 HA SER 38 74.612 -3.647 7.550 253 1HB SER 38 HB2 SER 38 75.227 -6.109 8.457 254 2HB SER 38 HB1 SER 38 75.325 -6.421 6.727 255 HG SER 38 HG SER 38 76.560 -4.237 6.897 256 H THR 39 HN THR 39 75.263 -3.190 5.357 257 HA THR 39 HA THR 39 73.194 -3.509 3.413 258 HB THR 39 HB THR 39 74.521 -2.284 1.969 259 HG1 THR 39 HG1 THR 39 76.621 -3.722 3.165 260 1HG2 THR 39 HG21 THR 39 74.600 -1.581 4.672 261 2HG2 THR 39 HG23 THR 39 76.264 -1.386 4.120 262 3HG2 THR 39 HG22 THR 39 74.957 -0.524 3.306 263 H LYS 40 HN LYS 40 75.833 -5.555 4.332 264 HA LYS 40 HA LYS 40 76.215 -7.043 1.951 265 1HB LYS 40 HB2 LYS 40 76.328 -7.818 4.873 266 2HB LYS 40 HB1 LYS 40 76.676 -8.979 3.591 267 1HG LYS 40 HG2 LYS 40 78.083 -6.522 3.063 268 2HG LYS 40 HG1 LYS 40 78.444 -7.066 4.702 269 1HD LYS 40 HD2 LYS 40 79.068 -9.279 3.865 270 2HD LYS 40 HD1 LYS 40 78.633 -8.802 2.222 271 1HE LYS 40 HE2 LYS 40 80.958 -8.474 2.254 272 2HE LYS 40 HE1 LYS 40 80.334 -6.860 2.593 273 1HZ LYS 40 HZ2 LYS 40 80.483 -7.608 5.029 274 2HZ LYS 40 HZ1 LYS 40 81.539 -8.805 4.449 275 3HZ LYS 40 HZ3 LYS 40 81.914 -7.166 4.228 276 H ALA 41 HN ALA 41 73.631 -7.076 4.325 277 HA ALA 41 HA ALA 41 72.336 -9.412 3.066 278 1HB ALA 41 HB2 ALA 41 72.353 -8.787 5.612 279 2HB ALA 41 HB1 ALA 41 71.058 -7.675 5.166 280 3HB ALA 41 HB3 ALA 41 70.867 -9.408 4.893 281 H LEU 42 HN LEU 42 72.233 -5.942 2.940 282 HA LEU 42 HA LEU 42 69.613 -5.420 2.122 283 1HB LEU 42 HB2 LEU 42 72.233 -4.154 1.738 284 2HB LEU 42 HB1 LEU 42 71.137 -3.853 0.394 285 HG LEU 42 HG LEU 42 70.678 -2.077 1.860 286 1HD1 LEU 42 HD12 LEU 42 68.710 -3.938 1.424 287 2HD1 LEU 42 HD11 LEU 42 68.648 -3.742 3.178 288 3HD1 LEU 42 HD13 LEU 42 68.450 -2.341 2.125 289 1HD2 LEU 42 HD22 LEU 42 71.301 -4.095 3.953 290 2HD2 LEU 42 HD21 LEU 42 71.768 -2.396 3.848 291 3HD2 LEU 42 HD23 LEU 42 70.145 -2.835 4.383 292 H GLY 43 HN GLY 43 72.343 -6.480 0.083 293 1HA GLY 43 HA2 GLY 43 71.112 -6.522 -2.417 294 2HA GLY 43 HA1 GLY 43 72.312 -7.715 -1.918 295 H THR 44 HN THR 44 70.803 -8.929 0.185 296 HA THR 44 HA THR 44 69.233 -10.795 -1.345 297 HB THR 44 HB THR 44 69.371 -10.307 1.645 298 HG1 THR 44 HG1 THR 44 70.447 -12.529 0.367 299 1HG2 THR 44 HG23 THR 44 68.021 -12.430 -0.016 300 2HG2 THR 44 HG22 THR 44 68.525 -12.748 1.644 301 3HG2 THR 44 HG21 THR 44 67.348 -11.478 1.307 302 H VAL 45 HN VAL 45 68.380 -8.134 0.851 303 HA VAL 45 HA VAL 45 65.583 -8.448 0.874 304 HB VAL 45 HB VAL 45 67.077 -5.813 0.749 305 1HG1 VAL 45 HG13 VAL 45 64.339 -6.694 1.604 306 2HG1 VAL 45 HG12 VAL 45 65.093 -5.317 2.408 307 3HG1 VAL 45 HG11 VAL 45 64.812 -5.276 0.667 308 1HG2 VAL 45 HG21 VAL 45 66.909 -7.930 2.823 309 2HG2 VAL 45 HG23 VAL 45 68.148 -6.701 2.567 310 3HG2 VAL 45 HG22 VAL 45 66.648 -6.280 3.390 311 H MET 46 HN MET 46 67.456 -6.316 -1.312 312 HA MET 46 HA MET 46 65.335 -5.552 -2.992 313 1HB MET 46 HB2 MET 46 68.123 -6.122 -4.010 314 2HB MET 46 HB1 MET 46 66.985 -4.898 -4.578 315 1HG MET 46 HG2 MET 46 67.268 -4.342 -1.859 316 2HG MET 46 HG1 MET 46 68.900 -4.760 -2.381 317 1HE MET 46 HE2 MET 46 68.846 -4.312 -5.206 318 2HE MET 46 HE1 MET 46 69.035 -2.630 -5.700 319 3HE MET 46 HE3 MET 46 70.171 -3.352 -4.553 320 H ARG 47 HN ARG 47 66.912 -8.633 -2.749 321 HA ARG 47 HA ARG 47 66.168 -9.567 -5.400 322 1HB ARG 47 HB2 ARG 47 67.832 -10.491 -3.376 323 2HB ARG 47 HB1 ARG 47 66.501 -11.649 -3.373 324 1HG ARG 47 HG2 ARG 47 68.094 -10.816 -5.817 325 2HG ARG 47 HG1 ARG 47 68.282 -12.337 -4.947 326 1HD ARG 47 HD2 ARG 47 66.163 -13.123 -5.608 327 2HD ARG 47 HD1 ARG 47 65.591 -11.506 -6.019 328 HE ARG 47 HE ARG 47 67.715 -11.955 -7.760 329 1HH1 ARG 47 HH21 ARG 47 66.492 -14.806 -7.254 330 2HH1 ARG 47 HH22 ARG 47 65.498 -14.943 -8.665 331 1HH2 ARG 47 HH11 ARG 47 65.689 -11.572 -9.454 332 2HH2 ARG 47 HH12 ARG 47 65.044 -13.114 -9.912 333 H MET 48 HN MET 48 64.778 -9.915 -2.136 334 HA MET 48 HA MET 48 62.609 -11.615 -3.015 335 1HB MET 48 HB2 MET 48 63.398 -10.224 -0.523 336 2HB MET 48 HB1 MET 48 61.668 -10.501 -0.721 337 1HG MET 48 HG2 MET 48 62.168 -12.549 0.160 338 2HG MET 48 HG1 MET 48 62.627 -12.915 -1.503 339 1HE MET 48 HE3 MET 48 63.450 -12.717 2.009 340 2HE MET 48 HE2 MET 48 65.183 -12.463 2.193 341 3HE MET 48 HE1 MET 48 64.145 -11.111 1.746 342 H LEU 49 HN LEU 49 63.222 -8.413 -3.684 343 HA LEU 49 HA LEU 49 60.316 -7.723 -3.730 344 1HB LEU 49 HB2 LEU 49 62.233 -5.598 -4.431 345 2HB LEU 49 HB1 LEU 49 60.867 -5.556 -3.318 346 HG LEU 49 HG LEU 49 63.629 -6.673 -2.770 347 1HD1 LEU 49 HD11 LEU 49 62.112 -4.212 -2.022 348 2HD1 LEU 49 HD13 LEU 49 63.166 -4.925 -0.800 349 3HD1 LEU 49 HD12 LEU 49 63.834 -4.414 -2.349 350 1HD2 LEU 49 HD22 LEU 49 61.057 -7.355 -1.624 351 2HD2 LEU 49 HD21 LEU 49 62.645 -8.031 -1.262 352 3HD2 LEU 49 HD23 LEU 49 62.084 -6.593 -0.409 353 H GLY 50 HN GLY 50 63.129 -8.284 -5.715 354 1HA GLY 50 HA2 GLY 50 62.514 -9.052 -8.050 355 2HA GLY 50 HA1 GLY 50 61.483 -7.624 -8.127 356 H GLN 51 HN GLN 51 63.425 -5.921 -6.716 357 HA GLN 51 HA GLN 51 64.998 -5.126 -9.031 358 1HB GLN 51 HB2 GLN 51 64.100 -3.893 -6.663 359 2HB GLN 51 HB1 GLN 51 65.861 -3.893 -6.553 360 1HG GLN 51 HG2 GLN 51 65.942 -2.193 -8.022 361 2HG GLN 51 HG1 GLN 51 65.175 -3.219 -9.235 362 1HE2 GLN 51 HE22 GLN 51 62.747 -0.540 -9.011 363 2HE2 GLN 51 HE21 GLN 51 64.193 -0.950 -9.799 364 H ASN 52 HN ASN 52 66.838 -6.196 -9.572 365 HA ASN 52 HA ASN 52 68.796 -6.804 -7.433 366 1HB ASN 52 HB2 ASN 52 69.144 -9.102 -8.474 367 2HB ASN 52 HB1 ASN 52 67.643 -8.902 -7.568 368 1HD2 ASN 52 HD22 ASN 52 65.567 -9.344 -10.395 369 2HD2 ASN 52 HD21 ASN 52 65.647 -9.001 -8.734 370 HA PRO 53 HA PRO 53 70.791 -5.096 -11.166 371 1HB PRO 53 HB2 PRO 53 72.436 -3.411 -9.747 372 2HB PRO 53 HB1 PRO 53 70.794 -2.977 -10.255 373 1HG PRO 53 HG2 PRO 53 71.787 -3.709 -7.540 374 2HG PRO 53 HG1 PRO 53 70.402 -2.704 -7.994 375 1HD PRO 53 HD2 PRO 53 70.286 -5.398 -7.127 376 2HD PRO 53 HD1 PRO 53 68.963 -4.487 -7.888 377 H THR 54 HN THR 54 73.412 -4.730 -11.301 378 HA THR 54 HA THR 54 74.551 -7.347 -10.759 379 HB THR 54 HB THR 54 75.152 -5.940 -12.749 380 HG1 THR 54 HG1 THR 54 77.560 -6.155 -12.179 381 1HG2 THR 54 HG21 THR 54 75.657 -4.023 -10.684 382 2HG2 THR 54 HG23 THR 54 77.163 -4.326 -11.548 383 3HG2 THR 54 HG22 THR 54 75.732 -3.795 -12.431 384 H LYS 55 HN LYS 55 76.321 -7.797 -9.328 385 HA LYS 55 HA LYS 55 76.164 -6.728 -6.738 386 1HB LYS 55 HB2 LYS 55 77.328 -8.841 -7.276 387 2HB LYS 55 HB1 LYS 55 78.608 -7.928 -8.077 388 1HG LYS 55 HG2 LYS 55 79.644 -7.735 -6.089 389 2HG LYS 55 HG1 LYS 55 78.292 -6.750 -5.530 390 1HD LYS 55 HD2 LYS 55 77.686 -9.617 -5.535 391 2HD LYS 55 HD1 LYS 55 79.030 -9.199 -4.470 392 1HE LYS 55 HE2 LYS 55 77.679 -7.549 -3.317 393 2HE LYS 55 HE1 LYS 55 76.356 -7.771 -4.462 394 1HZ LYS 55 HZ2 LYS 55 77.431 -9.895 -2.687 395 2HZ LYS 55 HZ1 LYS 55 76.028 -8.990 -2.372 396 3HZ LYS 55 HZ3 LYS 55 76.084 -10.020 -3.717 397 H GLU 56 HN GLU 56 78.479 -5.855 -9.319 398 HA GLU 56 HA GLU 56 80.007 -3.956 -7.956 399 1HB GLU 56 HB2 GLU 56 80.107 -4.748 -10.444 400 2HB GLU 56 HB1 GLU 56 79.033 -3.381 -10.746 401 1HG GLU 56 HG2 GLU 56 80.800 -2.051 -9.314 402 2HG GLU 56 HG1 GLU 56 81.871 -3.377 -9.769 403 H GLU 57 HN GLU 57 77.168 -3.100 -9.975 404 HA GLU 57 HA GLU 57 76.900 -0.444 -9.143 405 1HB GLU 57 HB2 GLU 57 75.540 -1.598 -10.927 406 2HB GLU 57 HB1 GLU 57 74.576 -2.323 -9.641 407 1HG GLU 57 HG2 GLU 57 73.335 -0.453 -9.527 408 2HG GLU 57 HG1 GLU 57 74.776 0.466 -9.091 409 H LEU 58 HN LEU 58 75.988 -3.381 -7.435 410 HA LEU 58 HA LEU 58 74.325 -2.155 -5.446 411 1HB LEU 58 HB2 LEU 58 74.628 -4.661 -5.944 412 2HB LEU 58 HB1 LEU 58 76.091 -4.561 -4.964 413 HG LEU 58 HG LEU 58 74.342 -3.304 -3.319 414 1HD1 LEU 58 HD11 LEU 58 72.697 -4.414 -5.313 415 2HD1 LEU 58 HD13 LEU 58 72.541 -5.494 -3.927 416 3HD1 LEU 58 HD12 LEU 58 72.181 -3.776 -3.752 417 1HD2 LEU 58 HD22 LEU 58 75.791 -5.655 -3.332 418 2HD2 LEU 58 HD21 LEU 58 74.835 -5.065 -1.973 419 3HD2 LEU 58 HD23 LEU 58 74.140 -6.230 -3.100 420 H ASP 59 HN ASP 59 77.828 -2.827 -5.536 421 HA ASP 59 HA ASP 59 78.423 -1.923 -2.902 422 1HB ASP 59 HB2 ASP 59 79.888 -2.967 -4.967 423 2HB ASP 59 HB1 ASP 59 80.440 -1.292 -4.963 424 H ALA 60 HN ALA 60 78.482 -0.128 -6.002 425 HA ALA 60 HA ALA 60 79.221 2.385 -4.875 426 1HB ALA 60 HB2 ALA 60 78.106 1.420 -7.428 427 2HB ALA 60 HB1 ALA 60 77.657 3.077 -7.022 428 3HB ALA 60 HB3 ALA 60 79.358 2.628 -7.132 429 H ILE 61 HN ILE 61 76.225 0.646 -4.871 430 HA ILE 61 HA ILE 61 74.529 2.952 -4.334 431 HB ILE 61 HB ILE 61 74.166 -0.041 -4.155 432 1HG1 ILE 61 HG12 ILE 61 72.503 1.910 -5.724 433 2HG1 ILE 61 HG11 ILE 61 74.099 1.453 -6.319 434 1HG2 ILE 61 HG21 ILE 61 72.374 2.156 -3.140 435 2HG2 ILE 61 HG23 ILE 61 71.691 0.646 -3.740 436 3HG2 ILE 61 HG22 ILE 61 72.797 0.629 -2.367 437 1HD1 ILE 61 HD13 ILE 61 72.242 -0.717 -5.423 438 2HD1 ILE 61 HD12 ILE 61 71.954 0.042 -6.989 439 3HD1 ILE 61 HD11 ILE 61 73.492 -0.758 -6.667 440 H ILE 62 HN ILE 62 75.845 0.299 -2.333 441 HA ILE 62 HA ILE 62 74.854 0.951 0.168 442 HB ILE 62 HB ILE 62 77.644 0.064 -0.614 443 1HG1 ILE 62 HG12 ILE 62 75.923 -1.768 0.862 444 2HG1 ILE 62 HG11 ILE 62 75.170 -1.232 -0.639 445 1HG2 ILE 62 HG21 ILE 62 76.412 0.614 2.063 446 2HG2 ILE 62 HG23 ILE 62 77.515 -0.752 1.903 447 3HG2 ILE 62 HG22 ILE 62 78.069 0.878 1.519 448 1HD1 ILE 62 HD12 ILE 62 78.049 -2.021 -0.735 449 2HD1 ILE 62 HD11 ILE 62 76.851 -3.306 -0.583 450 3HD1 ILE 62 HD13 ILE 62 76.794 -2.204 -1.959 451 H GLU 63 HN GLU 63 77.519 2.543 -1.558 452 HA GLU 63 HA GLU 63 78.269 4.290 0.598 453 1HB GLU 63 HB2 GLU 63 78.879 4.008 -2.268 454 2HB GLU 63 HB1 GLU 63 78.947 5.671 -1.682 455 1HG GLU 63 HG2 GLU 63 80.182 4.006 0.281 456 2HG GLU 63 HG1 GLU 63 80.863 3.584 -1.291 457 H GLU 64 HN GLU 64 76.078 4.736 -2.190 458 HA GLU 64 HA GLU 64 75.390 7.449 -1.361 459 1HB GLU 64 HB2 GLU 64 75.014 5.829 -3.676 460 2HB GLU 64 HB1 GLU 64 73.421 6.349 -3.123 461 1HG GLU 64 HG2 GLU 64 73.920 8.612 -3.380 462 2HG GLU 64 HG1 GLU 64 75.657 8.347 -3.240 463 H VAL 65 HN VAL 65 74.563 4.466 -0.130 464 HA VAL 65 HA VAL 65 71.780 5.255 0.541 465 HB VAL 65 HB VAL 65 73.203 2.713 1.354 466 1HG1 VAL 65 HG11 VAL 65 70.799 3.708 2.142 467 2HG1 VAL 65 HG13 VAL 65 70.313 2.823 0.695 468 3HG1 VAL 65 HG12 VAL 65 71.138 1.981 2.009 469 1HG2 VAL 65 HG21 VAL 65 72.686 3.580 -1.283 470 2HG2 VAL 65 HG23 VAL 65 73.101 1.947 -0.765 471 3HG2 VAL 65 HG22 VAL 65 71.410 2.425 -0.900 472 H ASP 66 HN ASP 66 74.812 4.327 2.190 473 HA ASP 66 HA ASP 66 73.691 5.224 4.770 474 1HB ASP 66 HB2 ASP 66 75.469 3.244 4.123 475 2HB ASP 66 HB1 ASP 66 76.558 4.536 4.628 476 H GLU 67 HN GLU 67 73.530 7.484 3.723 477 HA GLU 67 HA GLU 67 75.927 8.987 3.205 478 1HB GLU 67 HB2 GLU 67 73.053 9.521 3.442 479 2HB GLU 67 HB1 GLU 67 74.051 10.848 4.039 480 1HG GLU 67 HG2 GLU 67 74.465 9.514 1.349 481 2HG GLU 67 HG1 GLU 67 73.527 10.989 1.576 482 H ASP 68 HN ASP 68 74.630 7.768 6.084 483 HA ASP 68 HA ASP 68 75.581 9.938 7.816 484 1HB ASP 68 HB2 ASP 68 74.955 7.190 8.840 485 2HB ASP 68 HB1 ASP 68 74.613 8.758 9.571 486 H GLY 69 HN GLY 69 76.580 6.594 7.058 487 1HA GLY 69 HA2 GLY 69 78.924 5.987 6.827 488 2HA GLY 69 HA1 GLY 69 79.344 7.352 7.865 489 H SER 70 HN SER 70 76.640 5.678 9.030 490 HA SER 70 HA SER 70 78.061 4.788 11.385 491 1HB SER 70 HB2 SER 70 75.848 3.671 11.918 492 2HB SER 70 HB1 SER 70 75.746 5.404 11.616 493 HG SER 70 HG SER 70 74.455 3.481 10.386 494 H GLY 71 HN GLY 71 77.807 3.472 8.294 495 1HA GLY 71 HA2 GLY 71 78.601 1.416 7.466 496 2HA GLY 71 HA1 GLY 71 79.126 1.022 9.104 497 H THR 72 HN THR 72 75.842 1.976 8.812 498 HA THR 72 HA THR 72 74.936 -0.854 8.624 499 HB THR 72 HB THR 72 73.284 -0.163 10.545 500 HG1 THR 72 HG1 THR 72 74.342 1.288 11.988 501 1HG2 THR 72 HG22 THR 72 75.478 -1.725 10.454 502 2HG2 THR 72 HG21 THR 72 76.035 -0.518 11.613 503 3HG2 THR 72 HG23 THR 72 74.571 -1.444 11.940 504 H ILE 73 HN ILE 73 72.838 -1.065 7.749 505 HA ILE 73 HA ILE 73 71.718 1.466 6.626 506 HB ILE 73 HB ILE 73 71.460 -1.407 5.698 507 1HG1 ILE 73 HG12 ILE 73 73.622 -0.099 5.273 508 2HG1 ILE 73 HG11 ILE 73 72.810 -0.734 3.842 509 1HG2 ILE 73 HG21 ILE 73 69.949 1.068 5.045 510 2HG2 ILE 73 HG23 ILE 73 70.439 0.066 3.678 511 3HG2 ILE 73 HG22 ILE 73 69.439 -0.617 4.961 512 1HD1 ILE 73 HD12 ILE 73 71.729 1.857 4.461 513 2HD1 ILE 73 HD11 ILE 73 73.488 1.966 4.388 514 3HD1 ILE 73 HD13 ILE 73 72.585 1.340 3.009 515 H ASP 74 HN ASP 74 69.524 1.921 6.927 516 HA ASP 74 HA ASP 74 68.035 0.044 8.722 517 1HB ASP 74 HB2 ASP 74 67.635 3.038 8.730 518 2HB ASP 74 HB1 ASP 74 67.167 1.865 9.963 519 H PHE 75 HN PHE 75 65.588 0.459 8.553 520 HA PHE 75 HA PHE 75 64.648 0.004 5.964 521 1HB PHE 75 HB2 PHE 75 63.395 -0.166 8.216 522 2HB PHE 75 HB1 PHE 75 63.024 1.544 7.992 523 HD1 PHE 75 HD2 PHE 75 63.140 -1.504 5.807 524 HD2 PHE 75 HD1 PHE 75 60.921 1.939 7.085 525 HE1 PHE 75 HE2 PHE 75 61.302 -2.114 4.253 526 HE2 PHE 75 HE1 PHE 75 59.083 1.335 5.533 527 HZ PHE 75 HZ PHE 75 59.274 -0.692 4.116 528 H GLU 76 HN GLU 76 64.829 3.142 7.667 529 HA GLU 76 HA GLU 76 63.683 4.746 5.647 530 1HB GLU 76 HB2 GLU 76 66.024 5.576 7.380 531 2HB GLU 76 HB1 GLU 76 64.772 6.614 6.697 532 1HG GLU 76 HG2 GLU 76 63.416 6.230 8.452 533 2HG GLU 76 HG1 GLU 76 63.568 4.484 8.240 534 H GLU 77 HN GLU 77 67.003 3.533 5.963 535 HA GLU 77 HA GLU 77 67.905 5.028 3.609 536 1HB GLU 77 HB2 GLU 77 69.231 2.815 5.205 537 2HB GLU 77 HB1 GLU 77 70.015 3.754 3.934 538 1HG GLU 77 HG2 GLU 77 69.938 5.748 5.190 539 2HG GLU 77 HG1 GLU 77 68.701 5.119 6.278 540 H PHE 78 HN PHE 78 66.370 2.000 4.209 541 HA PHE 78 HA PHE 78 67.371 0.559 1.931 542 1HB PHE 78 HB2 PHE 78 66.342 -0.917 3.361 543 2HB PHE 78 HB1 PHE 78 65.154 0.268 3.894 544 HD1 PHE 78 HD2 PHE 78 63.284 0.909 2.269 545 HD2 PHE 78 HD1 PHE 78 65.782 -2.541 1.738 546 HE1 PHE 78 HE2 PHE 78 61.597 -0.073 0.733 547 HE2 PHE 78 HE1 PHE 78 64.100 -3.525 0.201 548 HZ PHE 78 HZ PHE 78 62.009 -2.290 -0.301 549 H LEU 79 HN LEU 79 64.525 2.634 2.452 550 HA LEU 79 HA LEU 79 63.269 2.312 -0.044 551 1HB LEU 79 HB2 LEU 79 63.549 4.901 1.513 552 2HB LEU 79 HB1 LEU 79 62.301 4.527 0.322 553 HG LEU 79 HG LEU 79 62.661 2.650 2.622 554 1HD1 LEU 79 HD11 LEU 79 61.512 5.432 2.763 555 2HD1 LEU 79 HD13 LEU 79 60.897 4.149 3.805 556 3HD1 LEU 79 HD12 LEU 79 62.592 4.626 3.900 557 1HD2 LEU 79 HD21 LEU 79 60.326 3.680 0.983 558 2HD2 LEU 79 HD23 LEU 79 61.053 2.075 0.902 559 3HD2 LEU 79 HD22 LEU 79 60.156 2.565 2.339 560 H VAL 80 HN VAL 80 66.226 3.987 0.763 561 HA VAL 80 HA VAL 80 66.388 5.583 -1.638 562 HB VAL 80 HB VAL 80 68.530 4.580 0.259 563 1HG1 VAL 80 HG13 VAL 80 68.868 5.573 -2.340 564 2HG1 VAL 80 HG12 VAL 80 69.172 6.956 -1.290 565 3HG1 VAL 80 HG11 VAL 80 70.104 5.473 -1.086 566 1HG2 VAL 80 HG23 VAL 80 66.614 6.790 0.257 567 2HG2 VAL 80 HG22 VAL 80 67.623 6.184 1.572 568 3HG2 VAL 80 HG21 VAL 80 68.279 7.349 0.421 569 H MET 81 HN MET 81 67.759 2.415 -0.720 570 HA MET 81 HA MET 81 69.237 1.865 -3.035 571 1HB MET 81 HB2 MET 81 67.491 -0.142 -1.578 572 2HB MET 81 HB1 MET 81 68.941 -0.486 -2.522 573 1HG MET 81 HG2 MET 81 69.870 1.380 -0.735 574 2HG MET 81 HG1 MET 81 68.696 0.501 0.241 575 1HE MET 81 HE3 MET 81 71.732 0.861 0.557 576 2HE MET 81 HE2 MET 81 71.034 -0.217 1.763 577 3HE MET 81 HE1 MET 81 72.471 -0.714 0.874 578 H MET 82 HN MET 82 65.740 1.522 -2.507 579 HA MET 82 HA MET 82 65.221 0.355 -5.101 580 1HB MET 82 HB2 MET 82 63.251 1.935 -3.436 581 2HB MET 82 HB1 MET 82 62.910 0.628 -4.571 582 1HG MET 82 HG2 MET 82 64.790 -0.257 -2.556 583 2HG MET 82 HG1 MET 82 63.334 0.386 -1.798 584 1HE MET 82 HE3 MET 82 65.028 -2.523 -3.024 585 2HE MET 82 HE2 MET 82 63.952 -3.457 -4.061 586 3HE MET 82 HE1 MET 82 64.660 -1.958 -4.659 587 H VAL 83 HN VAL 83 64.683 3.658 -3.813 588 HA VAL 83 HA VAL 83 63.836 4.832 -6.245 589 HB VAL 83 HB VAL 83 65.514 6.188 -4.117 590 1HG1 VAL 83 HG11 VAL 83 64.488 7.121 -6.534 591 2HG1 VAL 83 HG13 VAL 83 63.300 7.648 -5.341 592 3HG1 VAL 83 HG12 VAL 83 64.992 8.118 -5.170 593 1HG2 VAL 83 HG22 VAL 83 62.890 4.962 -3.963 594 2HG2 VAL 83 HG21 VAL 83 63.829 5.732 -2.684 595 3HG2 VAL 83 HG23 VAL 83 62.772 6.704 -3.711 596 H ARG 84 HN ARG 84 66.934 3.654 -5.342 597 HA ARG 84 HA ARG 84 68.581 5.363 -6.958 598 1HB ARG 84 HB2 ARG 84 68.929 3.038 -5.331 599 2HB ARG 84 HB1 ARG 84 69.665 2.717 -6.902 600 1HG ARG 84 HG2 ARG 84 71.361 3.763 -5.570 601 2HG ARG 84 HG1 ARG 84 70.792 4.990 -6.703 602 1HD ARG 84 HD2 ARG 84 69.541 4.728 -3.975 603 2HD ARG 84 HD1 ARG 84 71.029 5.650 -4.198 604 HE ARG 84 HE ARG 84 68.366 6.444 -5.105 605 1HH1 ARG 84 HH21 ARG 84 69.491 6.896 -7.615 606 2HH1 ARG 84 HH22 ARG 84 70.417 8.353 -7.476 607 1HH2 ARG 84 HH11 ARG 84 70.550 8.251 -4.013 608 2HH2 ARG 84 HH12 ARG 84 71.017 9.120 -5.437 609 H GLN 85 HN GLN 85 67.700 1.957 -7.653 610 HA GLN 85 HA GLN 85 68.333 2.154 -10.436 611 1HB GLN 85 HB2 GLN 85 67.027 0.197 -8.657 612 2HB GLN 85 HB1 GLN 85 66.470 0.142 -10.331 613 1HG GLN 85 HG2 GLN 85 68.346 -1.326 -10.244 614 2HG GLN 85 HG1 GLN 85 68.939 0.153 -11.003 615 1HE2 GLN 85 HE22 GLN 85 69.922 -0.243 -7.027 616 2HE2 GLN 85 HE21 GLN 85 68.337 -0.593 -7.525 617 H MET 86 HN MET 86 65.252 2.494 -8.677 618 HA MET 86 HA MET 86 63.421 2.670 -10.742 619 1HB MET 86 HB2 MET 86 63.697 4.285 -8.211 620 2HB MET 86 HB1 MET 86 62.364 4.577 -9.329 621 1HG MET 86 HG2 MET 86 62.527 1.772 -9.014 622 2HG MET 86 HG1 MET 86 62.661 2.459 -7.395 623 1HE MET 86 HE3 MET 86 61.222 4.386 -6.579 624 2HE MET 86 HE2 MET 86 59.484 4.101 -6.571 625 3HE MET 86 HE1 MET 86 60.580 2.840 -6.010 626 H LYS 87 HN LYS 87 65.029 5.602 -9.451 627 HA LYS 87 HA LYS 87 64.998 6.674 -12.246 628 1HB LYS 87 HB2 LYS 87 64.743 8.918 -11.260 629 2HB LYS 87 HB1 LYS 87 63.414 7.867 -10.765 630 1HG LYS 87 HG2 LYS 87 63.979 8.056 -8.591 631 2HG LYS 87 HG1 LYS 87 65.657 7.635 -8.934 632 1HD LYS 87 HD2 LYS 87 65.791 10.081 -9.877 633 2HD LYS 87 HD1 LYS 87 64.365 10.347 -8.874 634 1HE LYS 87 HE2 LYS 87 65.598 9.488 -6.907 635 2HE LYS 87 HE1 LYS 87 67.031 9.265 -7.912 636 1HZ LYS 87 HZ3 LYS 87 65.700 11.889 -7.790 637 2HZ LYS 87 HZ2 LYS 87 66.775 11.423 -6.560 638 3HZ LYS 87 HZ1 LYS 87 67.313 11.524 -8.169 639 H GLU 88 HN GLU 88 67.176 5.198 -11.533 640 HA GLU 88 HA GLU 88 69.254 6.680 -10.207 641 1HB GLU 88 HB2 GLU 88 68.982 4.104 -11.169 642 2HB GLU 88 HB1 GLU 88 70.154 4.807 -12.284 643 1HG GLU 88 HG2 GLU 88 70.674 5.543 -9.500 644 2HG GLU 88 HG1 GLU 88 70.734 3.799 -9.765 645 H ASP 89 HN ASP 89 68.387 6.279 -13.641 646 HA ASP 89 HA ASP 89 69.297 8.906 -14.341 647 1HB ASP 89 HB2 ASP 89 71.295 6.760 -14.356 648 2HB ASP 89 HB1 ASP 89 71.144 7.570 -15.917 649 H ALA 90 HN ALA 90 67.264 8.837 -15.435 650 HA ALA 90 HA ALA 90 65.796 8.346 -17.205 651 1HB ALA 90 HB1 ALA 90 68.478 7.937 -18.563 652 2HB ALA 90 HB3 ALA 90 66.939 8.068 -19.412 653 3HB ALA 90 HB2 ALA 90 67.558 9.440 -18.492 No H/Q in entry = 653 Start of MODEL 24 1 1H ALA 1 HT2 ALA 1 71.488 11.579 14.421 2 2H ALA 1 HT1 ALA 1 70.479 10.477 13.612 3 3H ALA 1 HT3 ALA 1 71.902 9.933 14.356 4 HA ALA 1 HA ALA 1 73.273 11.026 12.788 5 1HB ALA 1 HB2 ALA 1 71.803 8.895 12.160 6 2HB ALA 1 HB1 ALA 1 71.097 10.021 11.000 7 3HB ALA 1 HB3 ALA 1 72.828 9.682 10.959 8 H SER 2 HN SER 2 72.305 11.682 10.126 9 HA SER 2 HA SER 2 71.029 14.329 10.703 10 1HB SER 2 HB2 SER 2 73.343 13.576 8.952 11 2HB SER 2 HB1 SER 2 72.320 14.926 8.473 12 HG SER 2 HG SER 2 73.630 14.589 10.974 13 H MET 3 HN MET 3 70.299 15.209 8.308 14 HA MET 3 HA MET 3 68.741 12.971 7.076 15 1HB MET 3 HB2 MET 3 67.533 14.824 8.538 16 2HB MET 3 HB1 MET 3 67.692 15.777 7.062 17 1HG MET 3 HG2 MET 3 65.717 14.756 6.526 18 2HG MET 3 HG1 MET 3 66.788 13.451 6.012 19 1HE MET 3 HE2 MET 3 65.868 14.874 9.514 20 2HE MET 3 HE1 MET 3 64.346 14.836 8.627 21 3HE MET 3 HE3 MET 3 64.582 13.786 10.032 22 H THR 4 HN THR 4 68.402 13.144 4.791 23 HA THR 4 HA THR 4 69.958 15.287 3.420 24 HB THR 4 HB THR 4 70.632 13.406 1.766 25 HG1 THR 4 HG1 THR 4 69.996 11.925 4.100 26 1HG2 THR 4 HG22 THR 4 71.763 14.280 4.298 27 2HG2 THR 4 HG21 THR 4 72.286 12.647 3.886 28 3HG2 THR 4 HG23 THR 4 72.571 13.974 2.762 29 H ASP 5 HN ASP 5 69.175 15.771 1.288 30 HA ASP 5 HA ASP 5 66.354 15.585 0.950 31 1HB ASP 5 HB2 ASP 5 68.640 16.331 -0.853 32 2HB ASP 5 HB1 ASP 5 67.019 16.160 -1.527 33 H GLN 6 HN GLN 6 68.857 13.322 0.273 34 HA GLN 6 HA GLN 6 67.758 11.884 -1.907 35 1HB GLN 6 HB2 GLN 6 69.471 11.077 0.440 36 2HB GLN 6 HB1 GLN 6 68.931 9.882 -0.739 37 1HG GLN 6 HG2 GLN 6 70.414 10.600 -2.283 38 2HG GLN 6 HG1 GLN 6 69.972 12.287 -2.022 39 1HE2 GLN 6 HE21 GLN 6 71.684 9.695 -0.167 40 2HE2 GLN 6 HE22 GLN 6 72.930 10.712 0.377 41 H GLN 7 HN GLN 7 67.229 11.419 1.602 42 HA GLN 7 HA GLN 7 65.247 9.341 1.186 43 1HB GLN 7 HB2 GLN 7 65.340 10.987 3.691 44 2HB GLN 7 HB1 GLN 7 65.089 9.252 3.505 45 1HG GLN 7 HG2 GLN 7 67.542 9.279 2.564 46 2HG GLN 7 HG1 GLN 7 67.656 10.807 3.438 47 1HE2 GLN 7 HE22 GLN 7 68.673 8.506 6.041 48 2HE2 GLN 7 HE21 GLN 7 69.302 9.395 4.737 49 H ALA 8 HN ALA 8 65.192 12.814 1.238 50 HA ALA 8 HA ALA 8 62.385 13.122 1.860 51 1HB ALA 8 HB3 ALA 8 64.457 14.894 0.567 52 2HB ALA 8 HB2 ALA 8 62.768 15.392 0.674 53 3HB ALA 8 HB1 ALA 8 63.689 15.073 2.145 54 H GLU 9 HN GLU 9 64.212 12.542 -1.091 55 HA GLU 9 HA GLU 9 61.850 12.974 -2.792 56 1HB GLU 9 HB2 GLU 9 64.248 13.480 -3.496 57 2HB GLU 9 HB1 GLU 9 64.493 11.737 -3.593 58 1HG GLU 9 HG2 GLU 9 63.730 11.925 -5.718 59 2HG GLU 9 HG1 GLU 9 62.135 12.075 -4.982 60 H ALA 10 HN ALA 10 63.840 10.233 -1.683 61 HA ALA 10 HA ALA 10 62.480 8.189 -3.112 62 1HB ALA 10 HB3 ALA 10 63.895 8.156 -0.434 63 2HB ALA 10 HB2 ALA 10 63.277 6.699 -1.213 64 3HB ALA 10 HB1 ALA 10 64.539 7.651 -1.995 65 H ARG 11 HN ARG 11 61.897 9.406 0.206 66 HA ARG 11 HA ARG 11 59.574 7.764 0.639 67 1HB ARG 11 HB2 ARG 11 60.644 10.269 1.937 68 2HB ARG 11 HB1 ARG 11 59.090 9.588 2.419 69 1HG ARG 11 HG2 ARG 11 60.555 7.339 2.489 70 2HG ARG 11 HG1 ARG 11 61.837 8.505 2.816 71 1HD ARG 11 HD2 ARG 11 61.030 8.031 4.965 72 2HD ARG 11 HD1 ARG 11 60.152 9.502 4.545 73 HE ARG 11 HE ARG 11 58.517 7.416 3.670 74 1HH1 ARG 11 HH21 ARG 11 60.132 6.543 6.309 75 2HH1 ARG 11 HH22 ARG 11 58.844 6.715 7.454 76 1HH2 ARG 11 HH11 ARG 11 56.781 8.451 5.275 77 2HH2 ARG 11 HH12 ARG 11 56.946 7.793 6.869 78 H ALA 12 HN ALA 12 60.098 10.687 -1.129 79 HA ALA 12 HA ALA 12 57.332 11.603 -1.035 80 1HB ALA 12 HB3 ALA 12 59.433 13.015 -1.536 81 2HB ALA 12 HB2 ALA 12 59.356 12.326 -3.156 82 3HB ALA 12 HB1 ALA 12 58.016 13.298 -2.547 83 H PHE 13 HN PHE 13 59.262 9.533 -3.133 84 HA PHE 13 HA PHE 13 57.088 9.343 -5.117 85 1HB PHE 13 HB2 PHE 13 59.336 9.304 -6.000 86 2HB PHE 13 HB1 PHE 13 59.800 8.008 -4.897 87 HD1 PHE 13 HD1 PHE 13 57.064 8.698 -7.384 88 HD2 PHE 13 HD2 PHE 13 59.895 5.875 -5.813 89 HE1 PHE 13 HE1 PHE 13 56.305 7.014 -9.038 90 HE2 PHE 13 HE2 PHE 13 59.135 4.192 -7.467 91 HZ PHE 13 HZ PHE 13 57.340 4.762 -9.081 92 H LEU 14 HN LEU 14 58.231 7.652 -2.309 93 HA LEU 14 HA LEU 14 56.742 5.196 -2.995 94 1HB LEU 14 HB2 LEU 14 58.189 5.917 -0.429 95 2HB LEU 14 HB1 LEU 14 57.631 4.313 -0.905 96 HG LEU 14 HG LEU 14 59.594 5.914 -2.558 97 1HD1 LEU 14 HD12 LEU 14 60.323 5.298 -0.134 98 2HD1 LEU 14 HD11 LEU 14 60.356 3.640 -0.734 99 3HD1 LEU 14 HD13 LEU 14 61.394 4.864 -1.467 100 1HD2 LEU 14 HD22 LEU 14 58.228 3.337 -2.770 101 2HD2 LEU 14 HD21 LEU 14 59.110 4.239 -4.003 102 3HD2 LEU 14 HD23 LEU 14 59.980 3.176 -2.896 103 H SER 15 HN SER 15 54.595 5.097 -2.578 104 HA SER 15 HA SER 15 53.242 7.087 -0.977 105 1HB SER 15 HB2 SER 15 52.486 4.690 -2.541 106 2HB SER 15 HB1 SER 15 51.415 5.079 -1.198 107 HG SER 15 HG SER 15 52.301 6.983 -3.102 108 H GLU 16 HN GLU 16 51.870 6.478 0.951 109 HA GLU 16 HA GLU 16 53.452 5.346 3.022 110 1HB GLU 16 HB2 GLU 16 50.465 5.804 2.813 111 2HB GLU 16 HB1 GLU 16 51.257 5.260 4.293 112 1HG GLU 16 HG2 GLU 16 52.411 7.648 2.930 113 2HG GLU 16 HG1 GLU 16 50.876 7.861 3.770 114 H GLU 17 HN GLU 17 51.009 3.901 0.906 115 HA GLU 17 HA GLU 17 50.870 1.386 2.312 116 1HB GLU 17 HB2 GLU 17 50.277 2.055 -0.588 117 2HB GLU 17 HB1 GLU 17 49.835 0.546 0.213 118 1HG GLU 17 HG2 GLU 17 48.124 1.508 1.376 119 2HG GLU 17 HG1 GLU 17 49.005 3.017 1.619 120 H MET 18 HN MET 18 52.981 2.673 -0.199 121 HA MET 18 HA MET 18 54.185 0.144 -0.905 122 1HB MET 18 HB2 MET 18 54.507 2.934 -1.614 123 2HB MET 18 HB1 MET 18 56.080 2.183 -1.346 124 1HG MET 18 HG2 MET 18 55.791 0.638 -3.058 125 2HG MET 18 HG1 MET 18 54.030 0.706 -2.960 126 1HE MET 18 HE1 MET 18 54.261 0.570 -5.475 127 2HE MET 18 HE3 MET 18 54.729 1.891 -6.555 128 3HE MET 18 HE2 MET 18 55.963 0.951 -5.722 129 H ILE 19 HN ILE 19 55.325 2.835 1.170 130 HA ILE 19 HA ILE 19 57.691 1.579 2.085 131 HB ILE 19 HB ILE 19 55.850 3.583 3.408 132 1HG1 ILE 19 HG12 ILE 19 58.525 4.462 2.770 133 2HG1 ILE 19 HG11 ILE 19 57.783 3.736 1.344 134 1HG2 ILE 19 HG22 ILE 19 58.486 2.427 4.334 135 2HG2 ILE 19 HG21 ILE 19 57.897 3.993 4.889 136 3HG2 ILE 19 HG23 ILE 19 56.973 2.531 5.232 137 1HD1 ILE 19 HD13 ILE 19 56.053 5.552 2.932 138 2HD1 ILE 19 HD12 ILE 19 57.380 6.316 2.057 139 3HD1 ILE 19 HD11 ILE 19 56.179 5.362 1.184 140 H ALA 20 HN ALA 20 54.347 1.132 3.058 141 HA ALA 20 HA ALA 20 54.905 -0.285 5.510 142 1HB ALA 20 HB2 ALA 20 52.583 0.460 3.973 143 2HB ALA 20 HB1 ALA 20 52.472 -1.245 4.410 144 3HB ALA 20 HB3 ALA 20 52.673 -0.023 5.667 145 H GLU 21 HN GLU 21 54.514 -1.231 2.137 146 HA GLU 21 HA GLU 21 54.572 -4.078 2.638 147 1HB GLU 21 HB2 GLU 21 53.661 -3.640 0.557 148 2HB GLU 21 HB1 GLU 21 54.736 -2.277 0.256 149 1HG GLU 21 HG2 GLU 21 56.493 -3.653 -0.449 150 2HG GLU 21 HG1 GLU 21 55.845 -5.071 0.375 151 H PHE 22 HN PHE 22 57.023 -1.618 1.943 152 HA PHE 22 HA PHE 22 59.202 -3.445 1.533 153 1HB PHE 22 HB2 PHE 22 59.233 -0.583 2.538 154 2HB PHE 22 HB1 PHE 22 60.640 -1.478 1.963 155 HD1 PHE 22 HD1 PHE 22 59.318 -3.000 -0.289 156 HD2 PHE 22 HD2 PHE 22 59.082 1.126 0.877 157 HE1 PHE 22 HE1 PHE 22 58.765 -2.372 -2.624 158 HE2 PHE 22 HE2 PHE 22 58.528 1.755 -1.457 159 HZ PHE 22 HZ PHE 22 58.369 0.005 -3.208 160 H LYS 23 HN LYS 23 57.851 -1.912 4.431 161 HA LYS 23 HA LYS 23 59.918 -2.634 6.248 162 1HB LYS 23 HB2 LYS 23 57.645 -1.218 6.504 163 2HB LYS 23 HB1 LYS 23 57.101 -2.741 7.208 164 1HG LYS 23 HG2 LYS 23 59.751 -1.621 8.054 165 2HG LYS 23 HG1 LYS 23 58.276 -0.924 8.726 166 1HD LYS 23 HD2 LYS 23 57.604 -3.413 9.170 167 2HD LYS 23 HD1 LYS 23 59.331 -3.728 8.999 168 1HE LYS 23 HE2 LYS 23 59.887 -2.434 10.869 169 2HE LYS 23 HE1 LYS 23 58.386 -1.509 10.796 170 1HZ LYS 23 HZ1 LYS 23 58.610 -4.381 11.518 171 2HZ LYS 23 HZ3 LYS 23 58.360 -3.106 12.609 172 3HZ LYS 23 HZ2 LYS 23 57.169 -3.481 11.457 173 H ALA 24 HN ALA 24 57.341 -4.511 4.805 174 HA ALA 24 HA ALA 24 57.288 -6.687 6.650 175 1HB ALA 24 HB1 ALA 24 56.011 -6.068 4.268 176 2HB ALA 24 HB3 ALA 24 56.983 -7.477 3.845 177 3HB ALA 24 HB2 ALA 24 55.822 -7.572 5.171 178 H ALA 25 HN ALA 25 59.157 -6.305 3.615 179 HA ALA 25 HA ALA 25 60.676 -8.735 4.073 180 1HB ALA 25 HB3 ALA 25 60.251 -7.099 1.902 181 2HB ALA 25 HB2 ALA 25 61.908 -6.691 2.346 182 3HB ALA 25 HB1 ALA 25 61.479 -8.363 1.980 183 H PHE 26 HN PHE 26 61.018 -5.395 5.023 184 HA PHE 26 HA PHE 26 63.806 -5.308 5.533 185 1HB PHE 26 HB2 PHE 26 62.582 -3.266 5.649 186 2HB PHE 26 HB1 PHE 26 61.447 -3.927 6.823 187 HD1 PHE 26 HD1 PHE 26 65.031 -3.024 6.337 188 HD2 PHE 26 HD2 PHE 26 61.864 -3.775 9.131 189 HE1 PHE 26 HE1 PHE 26 66.483 -2.234 8.189 190 HE2 PHE 26 HE2 PHE 26 63.311 -2.986 10.989 191 HZ PHE 26 HZ PHE 26 65.622 -2.214 10.516 192 H ASP 27 HN ASP 27 61.153 -6.045 7.834 193 HA ASP 27 HA ASP 27 62.773 -6.765 10.027 194 1HB ASP 27 HB2 ASP 27 60.028 -7.635 9.135 195 2HB ASP 27 HB1 ASP 27 60.766 -8.327 10.580 196 H MET 28 HN MET 28 62.018 -8.555 7.109 197 HA MET 28 HA MET 28 62.667 -11.177 7.970 198 1HB MET 28 HB2 MET 28 62.324 -9.794 5.445 199 2HB MET 28 HB1 MET 28 63.663 -10.938 5.352 200 1HG MET 28 HG2 MET 28 62.236 -12.742 6.154 201 2HG MET 28 HG1 MET 28 60.901 -11.616 6.402 202 1HE MET 28 HE2 MET 28 63.601 -12.560 4.084 203 2HE MET 28 HE1 MET 28 62.894 -12.797 2.488 204 3HE MET 28 HE3 MET 28 63.239 -11.164 3.072 205 H PHE 29 HN PHE 29 64.828 -8.814 6.352 206 HA PHE 29 HA PHE 29 67.175 -10.417 7.055 207 1HB PHE 29 HB2 PHE 29 67.201 -7.583 6.005 208 2HB PHE 29 HB1 PHE 29 68.430 -8.834 5.805 209 HD1 PHE 29 HD1 PHE 29 68.080 -10.715 4.253 210 HD2 PHE 29 HD2 PHE 29 65.191 -7.562 4.645 211 HE1 PHE 29 HE1 PHE 29 66.991 -11.453 2.151 212 HE2 PHE 29 HE2 PHE 29 64.100 -8.301 2.545 213 HZ PHE 29 HZ PHE 29 65.000 -10.246 1.298 214 H ASP 30 HN ASP 30 65.252 -8.616 8.938 215 HA ASP 30 HA ASP 30 67.528 -7.434 10.479 216 1HB ASP 30 HB2 ASP 30 65.733 -5.850 9.685 217 2HB ASP 30 HB1 ASP 30 64.589 -6.729 10.699 218 H ALA 31 HN ALA 31 67.556 -9.950 11.036 219 HA ALA 31 HA ALA 31 65.556 -10.879 12.915 220 1HB ALA 31 HB2 ALA 31 68.380 -11.845 12.364 221 2HB ALA 31 HB1 ALA 31 67.209 -12.694 13.373 222 3HB ALA 31 HB3 ALA 31 66.898 -12.482 11.650 223 H ASP 32 HN ASP 32 68.329 -8.841 13.163 224 HA ASP 32 HA ASP 32 68.780 -9.316 16.010 225 1HB ASP 32 HB2 ASP 32 69.687 -6.918 14.407 226 2HB ASP 32 HB1 ASP 32 70.423 -7.585 15.864 227 H GLY 33 HN GLY 33 66.492 -7.582 14.195 228 1HA GLY 33 HA2 GLY 33 64.859 -6.011 14.805 229 2HA GLY 33 HA1 GLY 33 65.060 -6.637 16.443 230 H GLY 34 HN GLY 34 67.806 -5.276 14.789 231 1HA GLY 34 HA2 GLY 34 68.006 -3.200 16.859 232 2HA GLY 34 HA1 GLY 34 69.207 -3.540 15.615 233 H GLY 35 HN GLY 35 66.237 -3.377 14.119 234 1HA GLY 35 HA2 GLY 35 65.073 -1.647 13.002 235 2HA GLY 35 HA1 GLY 35 66.022 -0.471 13.912 236 H ASP 36 HN ASP 36 68.013 -2.804 12.490 237 HA ASP 36 HA ASP 36 68.264 -1.447 9.894 238 1HB ASP 36 HB2 ASP 36 70.643 -0.849 10.256 239 2HB ASP 36 HB1 ASP 36 69.582 0.025 11.362 240 H ILE 37 HN ILE 37 69.272 -2.787 8.380 241 HA ILE 37 HA ILE 37 70.210 -5.418 9.440 242 HB ILE 37 HB ILE 37 68.488 -6.213 8.209 243 1HG1 ILE 37 HG12 ILE 37 70.649 -6.608 6.784 244 2HG1 ILE 37 HG11 ILE 37 69.079 -6.951 6.073 245 1HG2 ILE 37 HG22 ILE 37 68.561 -3.603 6.680 246 2HG2 ILE 37 HG21 ILE 37 67.408 -4.893 6.346 247 3HG2 ILE 37 HG23 ILE 37 67.401 -4.091 7.915 248 1HD1 ILE 37 HD13 ILE 37 70.634 -4.371 5.701 249 2HD1 ILE 37 HD12 ILE 37 70.509 -5.668 4.514 250 3HD1 ILE 37 HD11 ILE 37 69.073 -4.752 4.973 251 H SER 38 HN SER 38 71.963 -6.424 8.250 252 HA SER 38 HA SER 38 74.087 -4.605 7.631 253 1HB SER 38 HB2 SER 38 73.840 -7.533 6.882 254 2HB SER 38 HB1 SER 38 75.331 -6.597 6.923 255 HG SER 38 HG SER 38 73.625 -7.316 9.069 256 H THR 39 HN THR 39 74.772 -3.760 5.685 257 HA THR 39 HA THR 39 72.975 -3.586 3.487 258 HB THR 39 HB THR 39 74.908 -2.642 2.247 259 HG1 THR 39 HG1 THR 39 76.242 -3.858 4.380 260 1HG2 THR 39 HG22 THR 39 74.150 -1.813 4.996 261 2HG2 THR 39 HG21 THR 39 75.586 -1.046 4.315 262 3HG2 THR 39 HG23 THR 39 74.037 -0.920 3.480 263 H LYS 40 HN LYS 40 75.336 -6.001 4.332 264 HA LYS 40 HA LYS 40 75.794 -7.127 1.749 265 1HB LYS 40 HB2 LYS 40 76.607 -9.057 2.897 266 2HB LYS 40 HB1 LYS 40 76.993 -7.690 3.942 267 1HG LYS 40 HG2 LYS 40 75.010 -8.130 5.308 268 2HG LYS 40 HG1 LYS 40 74.539 -9.448 4.234 269 1HD LYS 40 HD2 LYS 40 75.986 -10.891 5.200 270 2HD LYS 40 HD1 LYS 40 77.293 -9.707 5.194 271 1HE LYS 40 HE2 LYS 40 76.815 -8.962 7.306 272 2HE LYS 40 HE1 LYS 40 75.080 -9.202 7.108 273 1HZ LYS 40 HZ3 LYS 40 76.001 -11.718 7.001 274 2HZ LYS 40 HZ2 LYS 40 77.092 -11.020 8.102 275 3HZ LYS 40 HZ1 LYS 40 75.422 -10.971 8.410 276 H ALA 41 HN ALA 41 73.231 -7.673 4.145 277 HA ALA 41 HA ALA 41 71.946 -9.736 2.526 278 1HB ALA 41 HB3 ALA 41 71.729 -9.696 4.997 279 2HB ALA 41 HB2 ALA 41 70.874 -8.157 4.886 280 3HB ALA 41 HB1 ALA 41 70.155 -9.617 4.206 281 H LEU 42 HN LEU 42 72.105 -6.365 2.388 282 HA LEU 42 HA LEU 42 69.447 -5.694 1.580 283 1HB LEU 42 HB2 LEU 42 71.865 -4.331 1.924 284 2HB LEU 42 HB1 LEU 42 71.509 -4.155 0.207 285 HG LEU 42 HG LEU 42 69.384 -3.155 0.651 286 1HD1 LEU 42 HD13 LEU 42 69.588 -4.655 3.100 287 2HD1 LEU 42 HD12 LEU 42 69.271 -2.964 3.484 288 3HD1 LEU 42 HD11 LEU 42 68.174 -3.848 2.422 289 1HD2 LEU 42 HD21 LEU 42 71.726 -1.984 1.390 290 2HD2 LEU 42 HD23 LEU 42 70.169 -1.154 1.415 291 3HD2 LEU 42 HD22 LEU 42 70.815 -1.862 2.895 292 H GLY 43 HN GLY 43 72.320 -6.596 -0.351 293 1HA GLY 43 HA2 GLY 43 71.288 -6.356 -2.923 294 2HA GLY 43 HA1 GLY 43 72.368 -7.674 -2.453 295 H THR 44 HN THR 44 70.682 -8.930 -0.560 296 HA THR 44 HA THR 44 68.963 -10.459 -2.342 297 HB THR 44 HB THR 44 69.151 -10.534 0.682 298 HG1 THR 44 HG1 THR 44 70.737 -12.016 0.389 299 1HG2 THR 44 HG21 THR 44 67.257 -11.691 -0.851 300 2HG2 THR 44 HG23 THR 44 68.511 -12.927 -0.958 301 3HG2 THR 44 HG22 THR 44 67.883 -12.439 0.619 302 H VAL 45 HN VAL 45 68.501 -7.992 0.158 303 HA VAL 45 HA VAL 45 65.718 -8.172 0.521 304 HB VAL 45 HB VAL 45 67.587 -5.792 0.487 305 1HG1 VAL 45 HG12 VAL 45 65.308 -5.038 -0.125 306 2HG1 VAL 45 HG11 VAL 45 64.664 -5.853 1.300 307 3HG1 VAL 45 HG13 VAL 45 65.758 -4.484 1.488 308 1HG2 VAL 45 HG21 VAL 45 67.061 -7.847 2.330 309 2HG2 VAL 45 HG23 VAL 45 67.940 -6.351 2.643 310 3HG2 VAL 45 HG22 VAL 45 66.207 -6.438 2.957 311 H MET 46 HN MET 46 67.451 -6.121 -1.840 312 HA MET 46 HA MET 46 65.049 -5.364 -3.245 313 1HB MET 46 HB2 MET 46 66.651 -4.632 -5.037 314 2HB MET 46 HB1 MET 46 67.052 -3.998 -3.441 315 1HG MET 46 HG2 MET 46 68.390 -6.415 -3.482 316 2HG MET 46 HG1 MET 46 68.558 -5.853 -5.144 317 1HE MET 46 HE2 MET 46 68.498 -2.928 -5.143 318 2HE MET 46 HE1 MET 46 70.157 -2.405 -4.867 319 3HE MET 46 HE3 MET 46 69.825 -3.791 -5.915 320 H ARG 47 HN ARG 47 66.954 -8.220 -3.234 321 HA ARG 47 HA ARG 47 66.688 -9.186 -5.864 322 1HB ARG 47 HB2 ARG 47 67.894 -10.265 -3.867 323 2HB ARG 47 HB1 ARG 47 66.324 -10.940 -3.433 324 1HG ARG 47 HG2 ARG 47 66.432 -12.493 -5.069 325 2HG ARG 47 HG1 ARG 47 66.924 -11.297 -6.267 326 1HD ARG 47 HD2 ARG 47 68.974 -12.240 -6.211 327 2HD ARG 47 HD1 ARG 47 69.150 -11.550 -4.598 328 HE ARG 47 HE ARG 47 68.029 -13.770 -3.831 329 1HH1 ARG 47 HH21 ARG 47 70.614 -13.260 -5.971 330 2HH1 ARG 47 HH22 ARG 47 70.887 -14.940 -6.290 331 1HH2 ARG 47 HH11 ARG 47 68.102 -16.003 -4.522 332 2HH2 ARG 47 HH12 ARG 47 69.466 -16.492 -5.469 333 H MET 48 HN MET 48 64.466 -9.951 -3.145 334 HA MET 48 HA MET 48 62.461 -11.052 -4.905 335 1HB MET 48 HB2 MET 48 61.060 -11.166 -2.945 336 2HB MET 48 HB1 MET 48 62.704 -11.554 -2.433 337 1HG MET 48 HG2 MET 48 63.036 -9.288 -1.614 338 2HG MET 48 HG1 MET 48 61.462 -8.794 -2.243 339 1HE MET 48 HE2 MET 48 63.390 -11.210 -0.419 340 2HE MET 48 HE1 MET 48 63.019 -10.709 1.228 341 3HE MET 48 HE3 MET 48 62.264 -12.159 0.549 342 H LEU 49 HN LEU 49 63.343 -7.853 -4.051 343 HA LEU 49 HA LEU 49 60.790 -6.563 -4.338 344 1HB LEU 49 HB2 LEU 49 63.658 -5.699 -4.432 345 2HB LEU 49 HB1 LEU 49 62.419 -4.584 -5.006 346 HG LEU 49 HG LEU 49 63.073 -4.447 -2.511 347 1HD1 LEU 49 HD12 LEU 49 60.351 -4.564 -3.718 348 2HD1 LEU 49 HD11 LEU 49 60.454 -4.460 -1.960 349 3HD1 LEU 49 HD13 LEU 49 61.190 -3.210 -2.962 350 1HD2 LEU 49 HD22 LEU 49 62.773 -7.090 -2.437 351 2HD2 LEU 49 HD21 LEU 49 62.371 -6.099 -1.038 352 3HD2 LEU 49 HD23 LEU 49 61.095 -6.663 -2.116 353 H GLY 50 HN GLY 50 63.238 -7.643 -6.621 354 1HA GLY 50 HA2 GLY 50 62.222 -8.191 -8.893 355 2HA GLY 50 HA1 GLY 50 61.551 -6.560 -8.842 356 H GLN 51 HN GLN 51 64.784 -7.445 -7.722 357 HA GLN 51 HA GLN 51 65.992 -6.245 -10.147 358 1HB GLN 51 HB2 GLN 51 66.577 -5.210 -7.356 359 2HB GLN 51 HB1 GLN 51 67.315 -4.646 -8.856 360 1HG GLN 51 HG2 GLN 51 65.188 -3.817 -9.664 361 2HG GLN 51 HG1 GLN 51 64.341 -4.532 -8.294 362 1HE2 GLN 51 HE22 GLN 51 65.004 -1.813 -6.156 363 2HE2 GLN 51 HE21 GLN 51 64.196 -3.287 -6.391 364 H ASN 52 HN ASN 52 68.204 -6.862 -10.419 365 HA ASN 52 HA ASN 52 69.416 -8.596 -8.352 366 1HB ASN 52 HB2 ASN 52 68.098 -10.165 -9.705 367 2HB ASN 52 HB1 ASN 52 68.847 -9.547 -11.177 368 1HD2 ASN 52 HD22 ASN 52 70.961 -12.414 -10.553 369 2HD2 ASN 52 HD21 ASN 52 69.511 -11.974 -11.316 370 HA PRO 53 HA PRO 53 72.375 -5.947 -10.721 371 1HB PRO 53 HB2 PRO 53 73.350 -4.634 -8.512 372 2HB PRO 53 HB1 PRO 53 71.959 -4.068 -9.454 373 1HG PRO 53 HG2 PRO 53 72.002 -5.373 -6.773 374 2HG PRO 53 HG1 PRO 53 70.806 -4.263 -7.461 375 1HD PRO 53 HD2 PRO 53 70.532 -7.073 -7.256 376 2HD PRO 53 HD1 PRO 53 69.511 -5.991 -8.227 377 H THR 54 HN THR 54 74.811 -5.924 -10.408 378 HA THR 54 HA THR 54 75.676 -8.505 -9.239 379 HB THR 54 HB THR 54 76.378 -7.888 -11.551 380 HG1 THR 54 HG1 THR 54 77.920 -9.149 -10.898 381 1HG2 THR 54 HG23 THR 54 77.662 -5.598 -10.060 382 2HG2 THR 54 HG22 THR 54 78.228 -6.113 -11.649 383 3HG2 THR 54 HG21 THR 54 76.578 -5.522 -11.450 384 H LYS 55 HN LYS 55 77.711 -8.526 -7.938 385 HA LYS 55 HA LYS 55 77.580 -6.860 -5.669 386 1HB LYS 55 HB2 LYS 55 79.674 -8.639 -6.849 387 2HB LYS 55 HB1 LYS 55 80.155 -7.543 -5.553 388 1HG LYS 55 HG2 LYS 55 79.476 -9.412 -4.337 389 2HG LYS 55 HG1 LYS 55 77.992 -8.460 -4.367 390 1HD LYS 55 HD2 LYS 55 77.075 -9.771 -6.148 391 2HD LYS 55 HD1 LYS 55 78.625 -10.557 -6.453 392 1HE LYS 55 HE2 LYS 55 78.506 -11.824 -4.458 393 2HE LYS 55 HE1 LYS 55 77.246 -10.793 -3.780 394 1HZ LYS 55 HZ3 LYS 55 75.916 -11.566 -5.833 395 2HZ LYS 55 HZ2 LYS 55 77.032 -12.845 -5.878 396 3HZ LYS 55 HZ1 LYS 55 76.061 -12.610 -4.505 397 H GLU 56 HN GLU 56 78.914 -6.209 -8.795 398 HA GLU 56 HA GLU 56 80.843 -4.226 -8.120 399 1HB GLU 56 HB2 GLU 56 79.737 -5.279 -10.481 400 2HB GLU 56 HB1 GLU 56 79.395 -3.549 -10.539 401 1HG GLU 56 HG2 GLU 56 81.779 -3.071 -10.071 402 2HG GLU 56 HG1 GLU 56 82.114 -4.802 -10.050 403 H GLU 57 HN GLU 57 77.741 -3.371 -9.653 404 HA GLU 57 HA GLU 57 77.708 -0.731 -8.600 405 1HB GLU 57 HB2 GLU 57 75.203 -0.869 -9.138 406 2HB GLU 57 HB1 GLU 57 76.311 -1.173 -10.477 407 1HG GLU 57 HG2 GLU 57 75.921 -3.663 -9.182 408 2HG GLU 57 HG1 GLU 57 74.324 -2.933 -9.356 409 H LEU 58 HN LEU 58 77.024 -3.728 -7.078 410 HA LEU 58 HA LEU 58 75.104 -2.829 -5.132 411 1HB LEU 58 HB2 LEU 58 75.618 -5.234 -5.640 412 2HB LEU 58 HB1 LEU 58 77.165 -5.032 -4.819 413 HG LEU 58 HG LEU 58 75.595 -4.061 -2.892 414 1HD1 LEU 58 HD12 LEU 58 73.725 -5.021 -4.780 415 2HD1 LEU 58 HD11 LEU 58 73.720 -6.183 -3.453 416 3HD1 LEU 58 HD13 LEU 58 73.397 -4.478 -3.135 417 1HD2 LEU 58 HD21 LEU 58 76.032 -6.998 -3.518 418 2HD2 LEU 58 HD23 LEU 58 77.113 -5.946 -2.604 419 3HD2 LEU 58 HD22 LEU 58 75.537 -6.380 -1.941 420 H ASP 59 HN ASP 59 78.650 -3.300 -4.876 421 HA ASP 59 HA ASP 59 78.966 -2.285 -2.265 422 1HB ASP 59 HB2 ASP 59 80.670 -3.200 -4.212 423 2HB ASP 59 HB1 ASP 59 81.084 -1.485 -4.157 424 H ALA 60 HN ALA 60 79.139 -0.495 -5.360 425 HA ALA 60 HA ALA 60 79.587 2.071 -4.218 426 1HB ALA 60 HB1 ALA 60 78.432 1.093 -6.811 427 2HB ALA 60 HB3 ALA 60 78.322 2.808 -6.411 428 3HB ALA 60 HB2 ALA 60 79.901 2.028 -6.527 429 H ILE 61 HN ILE 61 76.591 0.283 -4.825 430 HA ILE 61 HA ILE 61 74.772 2.405 -4.264 431 HB ILE 61 HB ILE 61 74.605 -0.599 -4.163 432 1HG1 ILE 61 HG12 ILE 61 73.285 1.614 -5.757 433 2HG1 ILE 61 HG11 ILE 61 74.449 0.427 -6.343 434 1HG2 ILE 61 HG22 ILE 61 72.489 1.361 -3.237 435 2HG2 ILE 61 HG21 ILE 61 72.149 -0.316 -3.660 436 3HG2 ILE 61 HG23 ILE 61 73.207 0.053 -2.298 437 1HD1 ILE 61 HD13 ILE 61 72.670 -1.318 -5.507 438 2HD1 ILE 61 HD12 ILE 61 71.558 0.044 -5.624 439 3HD1 ILE 61 HD11 ILE 61 72.430 -0.507 -7.054 440 H ILE 62 HN ILE 62 76.292 -0.003 -2.117 441 HA ILE 62 HA ILE 62 74.939 0.753 0.269 442 HB ILE 62 HB ILE 62 77.738 -0.349 -0.122 443 1HG1 ILE 62 HG12 ILE 62 75.083 -1.662 0.554 444 2HG1 ILE 62 HG11 ILE 62 75.941 -1.797 -0.981 445 1HG2 ILE 62 HG22 ILE 62 77.441 0.754 2.084 446 2HG2 ILE 62 HG21 ILE 62 76.017 -0.245 2.375 447 3HG2 ILE 62 HG23 ILE 62 77.607 -0.995 2.242 448 1HD1 ILE 62 HD12 ILE 62 77.318 -2.543 1.589 449 2HD1 ILE 62 HD11 ILE 62 76.241 -3.691 0.794 450 3HD1 ILE 62 HD13 ILE 62 77.665 -3.087 -0.052 451 H GLU 63 HN GLU 63 78.066 1.896 -1.046 452 HA GLU 63 HA GLU 63 78.530 3.786 1.069 453 1HB GLU 63 HB2 GLU 63 80.075 2.835 -0.916 454 2HB GLU 63 HB1 GLU 63 79.589 4.363 -1.654 455 1HG GLU 63 HG2 GLU 63 81.444 5.080 -0.473 456 2HG GLU 63 HG1 GLU 63 80.201 5.312 0.757 457 H GLU 64 HN GLU 64 76.248 3.780 -1.431 458 HA GLU 64 HA GLU 64 76.119 6.746 -1.547 459 1HB GLU 64 HB2 GLU 64 75.166 4.518 -3.248 460 2HB GLU 64 HB1 GLU 64 74.073 5.896 -3.127 461 1HG GLU 64 HG2 GLU 64 75.627 7.380 -4.054 462 2HG GLU 64 HG1 GLU 64 76.999 6.351 -3.646 463 H VAL 65 HN VAL 65 74.614 4.035 -0.030 464 HA VAL 65 HA VAL 65 72.162 5.573 0.607 465 HB VAL 65 HB VAL 65 72.987 2.766 1.415 466 1HG1 VAL 65 HG12 VAL 65 70.961 4.463 2.410 467 2HG1 VAL 65 HG11 VAL 65 70.149 3.315 1.343 468 3HG1 VAL 65 HG13 VAL 65 71.129 2.728 2.688 469 1HG2 VAL 65 HG23 VAL 65 71.547 3.914 -0.947 470 2HG2 VAL 65 HG22 VAL 65 72.670 2.556 -0.873 471 3HG2 VAL 65 HG21 VAL 65 71.011 2.359 -0.313 472 H ASP 66 HN ASP 66 75.160 4.500 2.082 473 HA ASP 66 HA ASP 66 74.290 5.236 4.786 474 1HB ASP 66 HB2 ASP 66 76.508 3.809 3.594 475 2HB ASP 66 HB1 ASP 66 77.101 5.027 4.724 476 H GLU 67 HN GLU 67 73.707 7.495 3.921 477 HA GLU 67 HA GLU 67 75.791 9.326 3.166 478 1HB GLU 67 HB2 GLU 67 74.146 11.085 3.660 479 2HB GLU 67 HB1 GLU 67 73.384 9.771 2.763 480 1HG GLU 67 HG2 GLU 67 71.865 9.612 4.416 481 2HG GLU 67 HG1 GLU 67 73.161 9.053 5.476 482 H ASP 68 HN ASP 68 75.001 7.876 6.149 483 HA ASP 68 HA ASP 68 76.363 10.045 7.676 484 1HB ASP 68 HB2 ASP 68 75.581 8.494 9.649 485 2HB ASP 68 HB1 ASP 68 74.400 9.522 8.836 486 H GLY 69 HN GLY 69 76.717 6.766 6.560 487 1HA GLY 69 HA2 GLY 69 78.707 5.486 6.487 488 2HA GLY 69 HA1 GLY 69 79.519 6.763 7.394 489 H SER 70 HN SER 70 76.514 5.490 8.592 490 HA SER 70 HA SER 70 77.681 4.760 11.115 491 1HB SER 70 HB2 SER 70 75.345 3.471 11.228 492 2HB SER 70 HB1 SER 70 75.435 5.224 11.367 493 HG SER 70 HG SER 70 73.947 4.819 9.801 494 H GLY 71 HN GLY 71 77.315 3.079 8.112 495 1HA GLY 71 HA2 GLY 71 78.435 1.030 7.577 496 2HA GLY 71 HA1 GLY 71 78.640 0.721 9.302 497 H THR 72 HN THR 72 75.496 1.697 8.861 498 HA THR 72 HA THR 72 74.505 -1.028 8.200 499 HB THR 72 HB THR 72 72.877 -0.729 10.185 500 HG1 THR 72 HG1 THR 72 73.765 1.523 10.413 501 1HG2 THR 72 HG23 THR 72 75.772 -1.455 10.267 502 2HG2 THR 72 HG22 THR 72 74.900 -1.371 11.798 503 3HG2 THR 72 HG21 THR 72 74.352 -2.468 10.531 504 H ILE 73 HN ILE 73 72.214 -1.015 7.596 505 HA ILE 73 HA ILE 73 71.308 1.701 6.726 506 HB ILE 73 HB ILE 73 70.475 -0.948 5.529 507 1HG1 ILE 73 HG12 ILE 73 72.995 -0.410 5.413 508 2HG1 ILE 73 HG11 ILE 73 72.175 -0.727 3.884 509 1HG2 ILE 73 HG23 ILE 73 70.306 1.931 4.596 510 2HG2 ILE 73 HG22 ILE 73 69.877 0.538 3.604 511 3HG2 ILE 73 HG21 ILE 73 68.958 0.896 5.066 512 1HD1 ILE 73 HD13 ILE 73 72.084 2.094 4.715 513 2HD1 ILE 73 HD12 ILE 73 73.713 1.494 4.406 514 3HD1 ILE 73 HD11 ILE 73 72.484 1.396 3.144 515 H ASP 74 HN ASP 74 69.383 2.404 7.522 516 HA ASP 74 HA ASP 74 67.804 0.502 9.184 517 1HB ASP 74 HB2 ASP 74 67.290 3.460 9.086 518 2HB ASP 74 HB1 ASP 74 67.062 2.335 10.426 519 H PHE 75 HN PHE 75 65.330 0.976 9.067 520 HA PHE 75 HA PHE 75 64.367 0.384 6.499 521 1HB PHE 75 HB2 PHE 75 63.138 0.260 8.762 522 2HB PHE 75 HB1 PHE 75 62.747 1.961 8.501 523 HD1 PHE 75 HD2 PHE 75 63.005 -0.952 6.168 524 HD2 PHE 75 HD1 PHE 75 60.518 2.135 7.814 525 HE1 PHE 75 HE2 PHE 75 61.172 -1.609 4.629 526 HE2 PHE 75 HE1 PHE 75 58.685 1.484 6.274 527 HZ PHE 75 HZ PHE 75 59.012 -0.389 4.682 528 H GLU 76 HN GLU 76 64.986 3.535 7.967 529 HA GLU 76 HA GLU 76 63.630 5.042 5.893 530 1HB GLU 76 HB2 GLU 76 64.995 6.965 6.852 531 2HB GLU 76 HB1 GLU 76 63.950 6.130 8.001 532 1HG GLU 76 HG2 GLU 76 66.442 4.743 7.939 533 2HG GLU 76 HG1 GLU 76 66.794 6.463 8.106 534 H GLU 77 HN GLU 77 66.905 3.811 6.326 535 HA GLU 77 HA GLU 77 67.940 5.346 4.051 536 1HB GLU 77 HB2 GLU 77 69.108 3.137 5.763 537 2HB GLU 77 HB1 GLU 77 69.978 3.876 4.419 538 1HG GLU 77 HG2 GLU 77 69.632 6.114 5.497 539 2HG GLU 77 HG1 GLU 77 68.926 5.287 6.886 540 H PHE 78 HN PHE 78 66.394 2.285 4.552 541 HA PHE 78 HA PHE 78 67.417 0.941 2.222 542 1HB PHE 78 HB2 PHE 78 66.423 -0.606 3.597 543 2HB PHE 78 HB1 PHE 78 65.221 0.537 4.188 544 HD1 PHE 78 HD2 PHE 78 63.288 1.166 2.674 545 HD2 PHE 78 HD1 PHE 78 65.908 -2.133 1.853 546 HE1 PHE 78 HE2 PHE 78 61.601 0.213 1.122 547 HE2 PHE 78 HE1 PHE 78 64.224 -3.088 0.301 548 HZ PHE 78 HZ PHE 78 62.070 -1.914 -0.064 549 H LEU 79 HN LEU 79 64.436 2.816 2.833 550 HA LEU 79 HA LEU 79 63.214 2.614 0.332 551 1HB LEU 79 HB2 LEU 79 63.447 5.128 2.016 552 2HB LEU 79 HB1 LEU 79 62.228 4.823 0.778 553 HG LEU 79 HG LEU 79 62.620 3.051 3.203 554 1HD1 LEU 79 HD11 LEU 79 60.972 5.520 2.768 555 2HD1 LEU 79 HD13 LEU 79 60.317 4.222 3.765 556 3HD1 LEU 79 HD12 LEU 79 61.837 4.995 4.214 557 1HD2 LEU 79 HD22 LEU 79 61.463 2.323 0.945 558 2HD2 LEU 79 HD21 LEU 79 60.706 1.924 2.487 559 3HD2 LEU 79 HD23 LEU 79 60.125 3.299 1.550 560 H VAL 80 HN VAL 80 66.078 4.439 1.232 561 HA VAL 80 HA VAL 80 66.205 6.039 -1.169 562 HB VAL 80 HB VAL 80 68.275 5.225 0.882 563 1HG1 VAL 80 HG13 VAL 80 68.607 6.447 -1.776 564 2HG1 VAL 80 HG12 VAL 80 69.332 7.378 -0.465 565 3HG1 VAL 80 HG11 VAL 80 69.809 5.699 -0.725 566 1HG2 VAL 80 HG21 VAL 80 66.300 7.329 0.617 567 2HG2 VAL 80 HG23 VAL 80 67.335 6.946 1.992 568 3HG2 VAL 80 HG22 VAL 80 67.922 8.015 0.718 569 H MET 81 HN MET 81 67.983 3.092 -0.170 570 HA MET 81 HA MET 81 69.403 2.682 -2.562 571 1HB MET 81 HB2 MET 81 69.383 1.349 -0.280 572 2HB MET 81 HB1 MET 81 68.235 0.318 -1.137 573 1HG MET 81 HG2 MET 81 69.830 -0.081 -2.917 574 2HG MET 81 HG1 MET 81 70.953 1.090 -2.226 575 1HE MET 81 HE2 MET 81 72.601 0.718 -0.587 576 2HE MET 81 HE1 MET 81 71.339 0.782 0.641 577 3HE MET 81 HE3 MET 81 72.574 -0.481 0.703 578 H MET 82 HN MET 82 66.081 1.724 -1.742 579 HA MET 82 HA MET 82 65.551 0.167 -4.057 580 1HB MET 82 HB2 MET 82 63.564 1.965 -2.644 581 2HB MET 82 HB1 MET 82 63.214 0.500 -3.561 582 1HG MET 82 HG2 MET 82 64.704 0.700 -0.932 583 2HG MET 82 HG1 MET 82 63.155 -0.092 -1.225 584 1HE MET 82 HE1 MET 82 63.119 -1.444 -3.571 585 2HE MET 82 HE3 MET 82 64.017 -2.969 -3.590 586 3HE MET 82 HE2 MET 82 62.926 -2.600 -2.256 587 H VAL 83 HN VAL 83 64.668 3.603 -3.505 588 HA VAL 83 HA VAL 83 63.989 4.045 -6.269 589 HB VAL 83 HB VAL 83 64.770 6.067 -4.146 590 1HG1 VAL 83 HG12 VAL 83 64.070 6.289 -6.943 591 2HG1 VAL 83 HG11 VAL 83 62.853 7.086 -5.947 592 3HG1 VAL 83 HG13 VAL 83 64.545 7.560 -5.816 593 1HG2 VAL 83 HG22 VAL 83 62.592 4.295 -4.203 594 2HG2 VAL 83 HG21 VAL 83 62.738 5.746 -3.211 595 3HG2 VAL 83 HG23 VAL 83 61.941 5.828 -4.782 596 H ARG 84 HN ARG 84 66.972 3.601 -4.782 597 HA ARG 84 HA ARG 84 68.642 5.492 -6.074 598 1HB ARG 84 HB2 ARG 84 69.007 3.333 -4.376 599 2HB ARG 84 HB1 ARG 84 69.815 2.818 -5.858 600 1HG ARG 84 HG2 ARG 84 71.400 4.025 -4.455 601 2HG ARG 84 HG1 ARG 84 71.046 4.982 -5.893 602 1HD ARG 84 HD2 ARG 84 69.085 5.722 -4.026 603 2HD ARG 84 HD1 ARG 84 70.588 5.642 -3.107 604 HE ARG 84 HE ARG 84 71.551 7.257 -4.741 605 1HH1 ARG 84 HH21 ARG 84 69.686 7.069 -6.990 606 2HH1 ARG 84 HH22 ARG 84 68.629 8.420 -6.751 607 1HH2 ARG 84 HH11 ARG 84 69.523 8.869 -3.432 608 2HH2 ARG 84 HH12 ARG 84 68.536 9.439 -4.736 609 H GLN 85 HN GLN 85 66.800 2.940 -7.426 610 HA GLN 85 HA GLN 85 68.184 3.376 -10.020 611 1HB GLN 85 HB2 GLN 85 67.626 0.677 -8.762 612 2HB GLN 85 HB1 GLN 85 68.037 0.895 -10.463 613 1HG GLN 85 HG2 GLN 85 69.958 2.385 -9.064 614 2HG GLN 85 HG1 GLN 85 69.787 0.889 -8.147 615 1HE2 GLN 85 HE22 GLN 85 70.685 -1.124 -11.106 616 2HE2 GLN 85 HE21 GLN 85 69.446 -1.090 -9.945 617 H MET 86 HN MET 86 65.339 2.161 -8.279 618 HA MET 86 HA MET 86 63.752 1.786 -10.668 619 1HB MET 86 HB2 MET 86 61.879 1.500 -9.166 620 2HB MET 86 HB1 MET 86 63.277 0.706 -8.444 621 1HG MET 86 HG2 MET 86 63.392 2.189 -6.716 622 2HG MET 86 HG1 MET 86 62.931 3.558 -7.725 623 1HE MET 86 HE1 MET 86 62.497 2.101 -5.002 624 2HE MET 86 HE3 MET 86 60.979 2.856 -4.500 625 3HE MET 86 HE2 MET 86 61.038 1.129 -4.837 626 H LYS 87 HN LYS 87 64.944 4.569 -9.285 627 HA LYS 87 HA LYS 87 62.752 6.372 -9.337 628 1HB LYS 87 HB2 LYS 87 64.484 8.131 -9.749 629 2HB LYS 87 HB1 LYS 87 64.919 7.039 -8.433 630 1HG LYS 87 HG2 LYS 87 66.792 6.423 -9.515 631 2HG LYS 87 HG1 LYS 87 65.849 5.940 -10.925 632 1HD LYS 87 HD2 LYS 87 67.314 7.638 -11.719 633 2HD LYS 87 HD1 LYS 87 65.754 8.435 -11.520 634 1HE LYS 87 HE2 LYS 87 66.424 9.514 -9.531 635 2HE LYS 87 HE1 LYS 87 67.778 8.411 -9.285 636 1HZ LYS 87 HZ3 LYS 87 67.895 9.819 -11.784 637 2HZ LYS 87 HZ2 LYS 87 67.931 10.855 -10.438 638 3HZ LYS 87 HZ1 LYS 87 69.089 9.620 -10.596 639 H GLU 88 HN GLU 88 64.455 4.808 -11.922 640 HA GLU 88 HA GLU 88 62.554 5.612 -13.892 641 1HB GLU 88 HB2 GLU 88 64.465 7.609 -13.338 642 2HB GLU 88 HB1 GLU 88 64.972 6.872 -14.860 643 1HG GLU 88 HG2 GLU 88 62.782 7.248 -15.835 644 2HG GLU 88 HG1 GLU 88 62.154 7.832 -14.293 645 H ASP 89 HN ASP 89 62.805 3.304 -14.217 646 HA ASP 89 HA ASP 89 65.419 2.388 -15.271 647 1HB ASP 89 HB2 ASP 89 63.928 1.053 -13.628 648 2HB ASP 89 HB1 ASP 89 62.921 0.710 -15.036 649 H ALA 90 HN ALA 90 63.912 4.309 -16.830 650 HA ALA 90 HA ALA 90 62.370 3.122 -18.902 651 1HB ALA 90 HB1 ALA 90 63.521 5.689 -18.343 652 2HB ALA 90 HB3 ALA 90 63.895 5.259 -20.012 653 3HB ALA 90 HB2 ALA 90 62.219 5.295 -19.464 No H/Q in entry = 653 Start of MODEL 25 1 1H ALA 1 HT3 ALA 1 65.010 12.881 14.100 2 2H ALA 1 HT2 ALA 1 63.703 12.049 13.403 3 3H ALA 1 HT1 ALA 1 64.625 11.316 14.629 4 HA ALA 1 HA ALA 1 66.470 11.016 13.249 5 1HB ALA 1 HB2 ALA 1 64.165 9.752 12.739 6 2HB ALA 1 HB1 ALA 1 64.347 10.585 11.195 7 3HB ALA 1 HB3 ALA 1 65.606 9.485 11.757 8 H SER 2 HN SER 2 67.873 12.235 12.087 9 HA SER 2 HA SER 2 67.317 14.737 10.960 10 1HB SER 2 HB2 SER 2 69.591 14.414 11.083 11 2HB SER 2 HB1 SER 2 69.481 12.718 10.620 12 HG SER 2 HG SER 2 70.337 14.427 9.062 13 H MET 3 HN MET 3 66.132 15.321 9.210 14 HA MET 3 HA MET 3 65.347 13.215 7.273 15 1HB MET 3 HB2 MET 3 63.663 14.796 8.375 16 2HB MET 3 HB1 MET 3 64.354 16.070 7.369 17 1HG MET 3 HG2 MET 3 63.078 15.390 5.647 18 2HG MET 3 HG1 MET 3 63.874 13.818 5.690 19 1HE MET 3 HE3 MET 3 63.635 12.409 7.573 20 2HE MET 3 HE2 MET 3 62.403 12.517 8.829 21 3HE MET 3 HE1 MET 3 62.136 11.480 7.429 22 H THR 4 HN THR 4 67.327 13.083 6.076 23 HA THR 4 HA THR 4 68.499 15.475 4.886 24 HB THR 4 HB THR 4 69.920 13.843 3.652 25 HG1 THR 4 HG1 THR 4 68.461 11.881 5.076 26 1HG2 THR 4 HG23 THR 4 70.095 14.510 6.230 27 2HG2 THR 4 HG22 THR 4 69.807 12.782 6.439 28 3HG2 THR 4 HG21 THR 4 71.196 13.338 5.504 29 H ASP 5 HN ASP 5 68.590 15.829 2.531 30 HA ASP 5 HA ASP 5 66.041 15.781 1.283 31 1HB ASP 5 HB2 ASP 5 68.744 15.901 -0.086 32 2HB ASP 5 HB1 ASP 5 67.208 16.453 -0.753 33 H GLN 6 HN GLN 6 68.391 13.297 1.630 34 HA GLN 6 HA GLN 6 67.870 11.752 -0.711 35 1HB GLN 6 HB2 GLN 6 68.551 10.721 2.059 36 2HB GLN 6 HB1 GLN 6 68.806 9.877 0.531 37 1HG GLN 6 HG2 GLN 6 70.524 11.343 -0.136 38 2HG GLN 6 HG1 GLN 6 70.027 12.590 1.009 39 1HE2 GLN 6 HE22 GLN 6 71.727 9.317 2.814 40 2HE2 GLN 6 HE21 GLN 6 70.485 9.094 1.678 41 H GLN 7 HN GLN 7 66.279 11.802 2.475 42 HA GLN 7 HA GLN 7 64.391 9.708 1.724 43 1HB GLN 7 HB2 GLN 7 64.012 11.662 3.992 44 2HB GLN 7 HB1 GLN 7 63.466 9.989 3.882 45 1HG GLN 7 HG2 GLN 7 66.343 10.921 4.119 46 2HG GLN 7 HG1 GLN 7 65.399 10.118 5.375 47 1HE2 GLN 7 HE22 GLN 7 67.479 7.588 3.468 48 2HE2 GLN 7 HE21 GLN 7 67.875 9.045 4.244 49 H ALA 8 HN ALA 8 64.579 13.147 1.369 50 HA ALA 8 HA ALA 8 61.756 13.692 1.173 51 1HB ALA 8 HB3 ALA 8 64.179 15.134 0.061 52 2HB ALA 8 HB2 ALA 8 62.534 15.758 -0.053 53 3HB ALA 8 HB1 ALA 8 63.282 15.530 1.527 54 H GLU 9 HN GLU 9 64.192 12.592 -1.133 55 HA GLU 9 HA GLU 9 62.327 12.853 -3.397 56 1HB GLU 9 HB2 GLU 9 65.026 11.476 -3.325 57 2HB GLU 9 HB1 GLU 9 64.149 12.026 -4.753 58 1HG GLU 9 HG2 GLU 9 64.685 14.234 -4.407 59 2HG GLU 9 HG1 GLU 9 64.720 14.061 -2.652 60 H ALA 10 HN ALA 10 63.956 10.178 -1.665 61 HA ALA 10 HA ALA 10 62.635 8.077 -3.074 62 1HB ALA 10 HB2 ALA 10 64.125 8.324 -0.507 63 2HB ALA 10 HB1 ALA 10 63.093 6.907 -0.697 64 3HB ALA 10 HB3 ALA 10 64.386 7.220 -1.856 65 H ARG 11 HN ARG 11 61.928 9.277 0.233 66 HA ARG 11 HA ARG 11 59.464 7.889 0.504 67 1HB ARG 11 HB2 ARG 11 60.926 9.349 2.201 68 2HB ARG 11 HB1 ARG 11 59.744 10.583 1.757 69 1HG ARG 11 HG2 ARG 11 57.937 8.856 2.258 70 2HG ARG 11 HG1 ARG 11 59.208 7.866 2.976 71 1HD ARG 11 HD2 ARG 11 58.165 9.169 4.738 72 2HD ARG 11 HD1 ARG 11 59.789 9.798 4.467 73 HE ARG 11 HE ARG 11 57.434 11.109 3.182 74 1HH1 ARG 11 HH21 ARG 11 60.663 11.472 3.848 75 2HH1 ARG 11 HH22 ARG 11 60.534 13.027 4.599 76 1HH2 ARG 11 HH11 ARG 11 57.069 12.975 4.722 77 2HH2 ARG 11 HH12 ARG 11 58.499 13.879 5.093 78 H ALA 12 HN ALA 12 60.277 10.731 -1.306 79 HA ALA 12 HA ALA 12 57.575 11.793 -1.462 80 1HB ALA 12 HB2 ALA 12 60.170 12.317 -2.880 81 2HB ALA 12 HB1 ALA 12 58.672 12.953 -3.559 82 3HB ALA 12 HB3 ALA 12 59.173 13.424 -1.935 83 H PHE 13 HN PHE 13 59.505 9.517 -3.342 84 HA PHE 13 HA PHE 13 57.437 9.345 -5.437 85 1HB PHE 13 HB2 PHE 13 59.719 9.150 -6.195 86 2HB PHE 13 HB1 PHE 13 60.059 7.891 -5.007 87 HD1 PHE 13 HD1 PHE 13 57.259 8.477 -7.440 88 HD2 PHE 13 HD2 PHE 13 60.328 5.819 -6.040 89 HE1 PHE 13 HE1 PHE 13 56.499 6.750 -9.052 90 HE2 PHE 13 HE2 PHE 13 59.569 4.093 -7.650 91 HZ PHE 13 HZ PHE 13 57.655 4.558 -9.157 92 H LEU 14 HN LEU 14 58.280 7.766 -2.477 93 HA LEU 14 HA LEU 14 56.700 5.357 -3.160 94 1HB LEU 14 HB2 LEU 14 58.040 6.037 -0.530 95 2HB LEU 14 HB1 LEU 14 57.491 4.450 -1.072 96 HG LEU 14 HG LEU 14 59.555 6.024 -2.615 97 1HD1 LEU 14 HD12 LEU 14 59.855 4.895 -0.004 98 2HD1 LEU 14 HD11 LEU 14 60.744 3.884 -1.143 99 3HD1 LEU 14 HD13 LEU 14 61.098 5.609 -1.032 100 1HD2 LEU 14 HD21 LEU 14 58.176 3.920 -3.436 101 2HD2 LEU 14 HD23 LEU 14 59.905 4.032 -3.771 102 3HD2 LEU 14 HD22 LEU 14 59.328 3.037 -2.434 103 H SER 15 HN SER 15 54.699 4.900 -2.224 104 HA SER 15 HA SER 15 53.389 7.198 -0.861 105 1HB SER 15 HB2 SER 15 51.347 6.372 -1.651 106 2HB SER 15 HB1 SER 15 52.446 5.921 -2.952 107 HG SER 15 HG SER 15 50.988 4.238 -2.063 108 H GLU 16 HN GLU 16 51.632 6.360 0.802 109 HA GLU 16 HA GLU 16 53.008 5.200 3.000 110 1HB GLU 16 HB2 GLU 16 51.111 6.532 3.507 111 2HB GLU 16 HB1 GLU 16 50.084 5.639 2.386 112 1HG GLU 16 HG2 GLU 16 49.816 3.856 3.830 113 2HG GLU 16 HG1 GLU 16 51.358 4.140 4.636 114 H GLU 17 HN GLU 17 50.772 3.773 0.625 115 HA GLU 17 HA GLU 17 50.747 1.157 1.835 116 1HB GLU 17 HB2 GLU 17 49.248 2.302 -0.078 117 2HB GLU 17 HB1 GLU 17 50.376 1.423 -1.110 118 1HG GLU 17 HG2 GLU 17 49.270 -0.087 1.198 119 2HG GLU 17 HG1 GLU 17 48.135 0.297 -0.097 120 H MET 18 HN MET 18 52.909 2.771 -0.408 121 HA MET 18 HA MET 18 54.248 0.381 -1.330 122 1HB MET 18 HB2 MET 18 55.183 3.266 -1.217 123 2HB MET 18 HB1 MET 18 56.025 1.969 -2.067 124 1HG MET 18 HG2 MET 18 53.121 2.563 -2.625 125 2HG MET 18 HG1 MET 18 54.407 3.450 -3.444 126 1HE MET 18 HE1 MET 18 56.671 1.788 -3.936 127 2HE MET 18 HE3 MET 18 56.350 0.884 -5.423 128 3HE MET 18 HE2 MET 18 55.873 2.575 -5.295 129 H ILE 19 HN ILE 19 55.414 2.938 0.894 130 HA ILE 19 HA ILE 19 57.657 1.561 1.875 131 HB ILE 19 HB ILE 19 55.815 3.557 3.208 132 1HG1 ILE 19 HG12 ILE 19 58.577 4.316 2.720 133 2HG1 ILE 19 HG11 ILE 19 57.801 3.765 1.235 134 1HG2 ILE 19 HG22 ILE 19 58.423 2.376 4.203 135 2HG2 ILE 19 HG21 ILE 19 57.675 3.825 4.874 136 3HG2 ILE 19 HG23 ILE 19 56.848 2.272 4.989 137 1HD1 ILE 19 HD12 ILE 19 55.820 5.287 2.002 138 2HD1 ILE 19 HD11 ILE 19 57.033 6.056 3.026 139 3HD1 ILE 19 HD13 ILE 19 57.240 6.039 1.274 140 H ALA 20 HN ALA 20 54.289 0.998 2.501 141 HA ALA 20 HA ALA 20 54.583 -0.411 4.999 142 1HB ALA 20 HB3 ALA 20 52.425 0.495 3.875 143 2HB ALA 20 HB2 ALA 20 52.441 -1.014 2.963 144 3HB ALA 20 HB1 ALA 20 52.327 -1.048 4.722 145 H GLU 21 HN GLU 21 54.537 -1.468 1.598 146 HA GLU 21 HA GLU 21 54.806 -4.277 2.241 147 1HB GLU 21 HB2 GLU 21 55.565 -2.862 -0.332 148 2HB GLU 21 HB1 GLU 21 55.219 -4.581 -0.132 149 1HG GLU 21 HG2 GLU 21 52.907 -4.001 0.591 150 2HG GLU 21 HG1 GLU 21 53.262 -2.301 0.279 151 H PHE 22 HN PHE 22 57.127 -1.779 1.161 152 HA PHE 22 HA PHE 22 59.430 -3.438 1.131 153 1HB PHE 22 HB2 PHE 22 59.130 -0.482 1.730 154 2HB PHE 22 HB1 PHE 22 60.689 -1.281 1.527 155 HD1 PHE 22 HD1 PHE 22 60.668 -2.957 -0.647 156 HD2 PHE 22 HD2 PHE 22 58.327 0.610 -0.156 157 HE1 PHE 22 HE1 PHE 22 60.451 -2.761 -3.109 158 HE2 PHE 22 HE2 PHE 22 58.110 0.807 -2.619 159 HZ PHE 22 HZ PHE 22 59.172 -0.878 -4.095 160 H LYS 23 HN LYS 23 57.713 -1.923 3.793 161 HA LYS 23 HA LYS 23 59.750 -2.145 5.781 162 1HB LYS 23 HB2 LYS 23 57.777 -0.825 6.235 163 2HB LYS 23 HB1 LYS 23 56.729 -2.225 6.003 164 1HG LYS 23 HG2 LYS 23 57.063 -1.800 8.401 165 2HG LYS 23 HG1 LYS 23 57.802 -3.334 7.942 166 1HD LYS 23 HD2 LYS 23 59.924 -2.574 8.313 167 2HD LYS 23 HD1 LYS 23 59.556 -0.959 7.707 168 1HE LYS 23 HE2 LYS 23 59.535 -0.289 9.863 169 2HE LYS 23 HE1 LYS 23 58.013 -1.168 10.017 170 1HZ LYS 23 HZ2 LYS 23 59.456 -3.189 10.440 171 2HZ LYS 23 HZ1 LYS 23 60.743 -2.103 10.662 172 3HZ LYS 23 HZ3 LYS 23 59.387 -2.028 11.678 173 H ALA 24 HN ALA 24 57.450 -4.482 4.485 174 HA ALA 24 HA ALA 24 57.715 -6.490 6.482 175 1HB ALA 24 HB3 ALA 24 57.129 -6.615 3.521 176 2HB ALA 24 HB2 ALA 24 57.184 -8.068 4.520 177 3HB ALA 24 HB1 ALA 24 56.003 -6.804 4.865 178 H ALA 25 HN ALA 25 59.689 -5.783 3.608 179 HA ALA 25 HA ALA 25 61.403 -8.074 3.861 180 1HB ALA 25 HB2 ALA 25 61.105 -6.121 1.984 181 2HB ALA 25 HB1 ALA 25 62.591 -5.590 2.771 182 3HB ALA 25 HB3 ALA 25 62.498 -7.200 2.058 183 H PHE 26 HN PHE 26 61.695 -4.721 5.047 184 HA PHE 26 HA PHE 26 64.261 -4.859 6.172 185 1HB PHE 26 HB2 PHE 26 62.440 -2.927 6.122 186 2HB PHE 26 HB1 PHE 26 62.086 -3.528 7.743 187 HD1 PHE 26 HD1 PHE 26 65.129 -2.840 5.646 188 HD2 PHE 26 HD2 PHE 26 63.221 -2.479 9.479 189 HE1 PHE 26 HE1 PHE 26 67.119 -1.647 6.524 190 HE2 PHE 26 HE2 PHE 26 65.211 -1.284 10.356 191 HZ PHE 26 HZ PHE 26 67.159 -0.868 8.879 192 H ASP 27 HN ASP 27 61.231 -5.388 8.018 193 HA ASP 27 HA ASP 27 62.374 -6.409 10.353 194 1HB ASP 27 HB2 ASP 27 59.756 -6.621 9.022 195 2HB ASP 27 HB1 ASP 27 60.124 -7.972 10.096 196 H MET 28 HN MET 28 61.888 -8.033 7.263 197 HA MET 28 HA MET 28 62.340 -10.708 8.141 198 1HB MET 28 HB2 MET 28 62.289 -9.266 5.588 199 2HB MET 28 HB1 MET 28 63.435 -10.607 5.599 200 1HG MET 28 HG2 MET 28 61.762 -12.192 6.092 201 2HG MET 28 HG1 MET 28 60.634 -10.958 6.652 202 1HE MET 28 HE3 MET 28 62.767 -12.239 3.932 203 2HE MET 28 HE2 MET 28 61.934 -11.958 2.406 204 3HE MET 28 HE1 MET 28 62.800 -10.636 3.184 205 H PHE 29 HN PHE 29 64.667 -8.394 6.681 206 HA PHE 29 HA PHE 29 66.911 -10.106 7.498 207 1HB PHE 29 HB2 PHE 29 67.279 -7.295 6.520 208 2HB PHE 29 HB1 PHE 29 68.249 -8.728 6.188 209 HD1 PHE 29 HD1 PHE 29 67.362 -10.503 4.641 210 HD2 PHE 29 HD2 PHE 29 65.421 -6.705 5.143 211 HE1 PHE 29 HE1 PHE 29 66.094 -10.873 2.543 212 HE2 PHE 29 HE2 PHE 29 64.154 -7.074 3.042 213 HZ PHE 29 HZ PHE 29 64.489 -9.159 1.743 214 H ASP 30 HN ASP 30 64.967 -8.293 9.293 215 HA ASP 30 HA ASP 30 67.197 -7.176 10.949 216 1HB ASP 30 HB2 ASP 30 65.231 -5.692 9.897 217 2HB ASP 30 HB1 ASP 30 64.386 -6.248 11.342 218 H ALA 31 HN ALA 31 66.656 -9.851 11.252 219 HA ALA 31 HA ALA 31 64.655 -10.293 13.331 220 1HB ALA 31 HB2 ALA 31 66.344 -11.910 11.639 221 2HB ALA 31 HB1 ALA 31 66.506 -12.433 13.315 222 3HB ALA 31 HB3 ALA 31 64.915 -12.390 12.554 223 H ASP 32 HN ASP 32 67.737 -8.946 13.324 224 HA ASP 32 HA ASP 32 68.721 -10.021 15.832 225 1HB ASP 32 HB2 ASP 32 70.422 -8.316 15.683 226 2HB ASP 32 HB1 ASP 32 70.148 -8.930 14.053 227 H GLY 33 HN GLY 33 66.656 -7.332 14.908 228 1HA GLY 33 HA2 GLY 33 65.118 -6.218 16.349 229 2HA GLY 33 HA1 GLY 33 65.901 -6.982 17.733 230 H GLY 34 HN GLY 34 67.752 -5.314 15.270 231 1HA GLY 34 HA2 GLY 34 68.546 -3.328 17.342 232 2HA GLY 34 HA1 GLY 34 69.497 -3.737 15.914 233 H GLY 35 HN GLY 35 67.001 -3.638 14.223 234 1HA GLY 35 HA2 GLY 35 65.467 -1.907 13.447 235 2HA GLY 35 HA1 GLY 35 66.447 -0.711 14.296 236 H ASP 36 HN ASP 36 68.339 -3.013 12.665 237 HA ASP 36 HA ASP 36 68.386 -1.593 10.094 238 1HB ASP 36 HB2 ASP 36 70.720 -0.893 10.266 239 2HB ASP 36 HB1 ASP 36 69.800 -0.174 11.589 240 H ILE 37 HN ILE 37 69.226 -2.929 8.480 241 HA ILE 37 HA ILE 37 70.153 -5.601 9.420 242 HB ILE 37 HB ILE 37 68.428 -6.186 8.073 243 1HG1 ILE 37 HG12 ILE 37 70.687 -6.743 6.847 244 2HG1 ILE 37 HG11 ILE 37 69.155 -7.010 6.028 245 1HG2 ILE 37 HG22 ILE 37 68.873 -3.633 6.506 246 2HG2 ILE 37 HG21 ILE 37 67.580 -4.791 6.186 247 3HG2 ILE 37 HG23 ILE 37 67.625 -3.921 7.720 248 1HD1 ILE 37 HD11 ILE 37 69.362 -4.818 4.911 249 2HD1 ILE 37 HD13 ILE 37 70.907 -4.553 5.720 250 3HD1 ILE 37 HD12 ILE 37 70.741 -5.854 4.544 251 H SER 38 HN SER 38 71.927 -6.595 8.298 252 HA SER 38 HA SER 38 74.156 -4.840 7.918 253 1HB SER 38 HB2 SER 38 73.655 -7.719 7.812 254 2HB SER 38 HB1 SER 38 74.858 -7.200 6.634 255 HG SER 38 HG SER 38 75.552 -7.703 8.898 256 H THR 39 HN THR 39 75.050 -3.965 6.074 257 HA THR 39 HA THR 39 73.409 -3.642 3.749 258 HB THR 39 HB THR 39 75.707 -2.845 2.759 259 HG1 THR 39 HG1 THR 39 77.088 -3.743 4.201 260 1HG2 THR 39 HG21 THR 39 73.887 -1.360 3.537 261 2HG2 THR 39 HG23 THR 39 74.483 -1.510 5.189 262 3HG2 THR 39 HG22 THR 39 75.473 -0.716 3.963 263 H LYS 40 HN LYS 40 75.659 -6.099 4.692 264 HA LYS 40 HA LYS 40 76.281 -7.048 2.024 265 1HB LYS 40 HB2 LYS 40 77.067 -9.096 3.224 266 2HB LYS 40 HB1 LYS 40 77.746 -7.611 3.891 267 1HG LYS 40 HG2 LYS 40 76.752 -7.950 5.889 268 2HG LYS 40 HG1 LYS 40 75.196 -8.291 5.131 269 1HD LYS 40 HD2 LYS 40 77.270 -10.391 4.825 270 2HD LYS 40 HD1 LYS 40 76.637 -10.166 6.455 271 1HE LYS 40 HE2 LYS 40 74.304 -10.259 5.418 272 2HE LYS 40 HE1 LYS 40 75.088 -10.823 3.942 273 1HZ LYS 40 HZ1 LYS 40 76.211 -12.429 5.730 274 2HZ LYS 40 HZ3 LYS 40 74.710 -12.186 6.481 275 3HZ LYS 40 HZ2 LYS 40 74.777 -12.818 4.905 276 H ALA 41 HN ALA 41 73.602 -7.440 4.194 277 HA ALA 41 HA ALA 41 72.605 -9.869 2.884 278 1HB ALA 41 HB1 ALA 41 71.430 -7.994 4.949 279 2HB ALA 41 HB3 ALA 41 70.552 -9.381 4.304 280 3HB ALA 41 HB2 ALA 41 72.047 -9.625 5.205 281 H LEU 42 HN LEU 42 72.535 -6.526 2.237 282 HA LEU 42 HA LEU 42 69.971 -6.135 1.115 283 1HB LEU 42 HB2 LEU 42 72.671 -4.946 0.709 284 2HB LEU 42 HB1 LEU 42 71.493 -4.663 -0.564 285 HG LEU 42 HG LEU 42 70.376 -3.143 0.687 286 1HD1 LEU 42 HD11 LEU 42 70.498 -5.268 2.803 287 2HD1 LEU 42 HD13 LEU 42 70.080 -3.623 3.279 288 3HD1 LEU 42 HD12 LEU 42 69.090 -4.477 2.096 289 1HD2 LEU 42 HD21 LEU 42 73.011 -3.500 1.925 290 2HD2 LEU 42 HD23 LEU 42 72.210 -2.024 1.385 291 3HD2 LEU 42 HD22 LEU 42 71.836 -2.703 2.971 292 H GLY 43 HN GLY 43 72.939 -7.299 -0.542 293 1HA GLY 43 HA2 GLY 43 71.995 -7.681 -3.109 294 2HA GLY 43 HA1 GLY 43 73.059 -8.856 -2.330 295 H THR 44 HN THR 44 71.216 -9.580 -0.248 296 HA THR 44 HA THR 44 69.624 -11.551 -1.685 297 HB THR 44 HB THR 44 69.611 -10.817 1.256 298 HG1 THR 44 HG1 THR 44 70.986 -12.940 -0.005 299 1HG2 THR 44 HG22 THR 44 68.661 -13.259 -0.265 300 2HG2 THR 44 HG21 THR 44 68.786 -13.173 1.492 301 3HG2 THR 44 HG23 THR 44 67.661 -12.119 0.634 302 H VAL 45 HN VAL 45 68.921 -8.662 0.297 303 HA VAL 45 HA VAL 45 66.090 -8.839 0.211 304 HB VAL 45 HB VAL 45 67.623 -6.235 0.120 305 1HG1 VAL 45 HG12 VAL 45 64.937 -7.177 0.993 306 2HG1 VAL 45 HG11 VAL 45 65.713 -5.951 1.996 307 3HG1 VAL 45 HG13 VAL 45 65.412 -5.633 0.287 308 1HG2 VAL 45 HG22 VAL 45 67.367 -8.265 2.344 309 2HG2 VAL 45 HG21 VAL 45 68.828 -7.479 1.745 310 3HG2 VAL 45 HG23 VAL 45 67.650 -6.557 2.680 311 H MET 46 HN MET 46 68.102 -6.663 -1.793 312 HA MET 46 HA MET 46 66.168 -5.832 -3.603 313 1HB MET 46 HB2 MET 46 69.113 -6.291 -3.805 314 2HB MET 46 HB1 MET 46 68.225 -5.994 -5.300 315 1HG MET 46 HG2 MET 46 67.293 -4.134 -3.341 316 2HG MET 46 HG1 MET 46 69.056 -4.089 -3.341 317 1HE MET 46 HE3 MET 46 69.861 -2.443 -4.081 318 2HE MET 46 HE2 MET 46 70.462 -2.802 -5.699 319 3HE MET 46 HE1 MET 46 69.439 -1.392 -5.440 320 H ARG 47 HN ARG 47 67.557 -9.012 -3.322 321 HA ARG 47 HA ARG 47 66.809 -9.882 -5.995 322 1HB ARG 47 HB2 ARG 47 68.590 -11.059 -4.860 323 2HB ARG 47 HB1 ARG 47 67.542 -11.416 -3.487 324 1HG ARG 47 HG2 ARG 47 66.520 -13.144 -4.557 325 2HG ARG 47 HG1 ARG 47 66.484 -12.292 -6.100 326 1HD ARG 47 HD2 ARG 47 68.155 -13.663 -6.752 327 2HD ARG 47 HD1 ARG 47 69.195 -12.749 -5.661 328 HE ARG 47 HE ARG 47 68.734 -14.468 -3.931 329 1HH1 ARG 47 HH11 ARG 47 69.023 -15.312 -7.157 330 2HH1 ARG 47 HH12 ARG 47 68.427 -16.927 -6.974 331 1HH2 ARG 47 HH21 ARG 47 67.421 -16.470 -3.688 332 2HH2 ARG 47 HH22 ARG 47 67.520 -17.583 -5.011 333 H MET 48 HN MET 48 65.386 -10.301 -2.742 334 HA MET 48 HA MET 48 63.118 -11.804 -3.733 335 1HB MET 48 HB2 MET 48 63.993 -10.658 -1.148 336 2HB MET 48 HB1 MET 48 62.246 -10.794 -1.358 337 1HG MET 48 HG2 MET 48 62.633 -13.193 -2.099 338 2HG MET 48 HG1 MET 48 64.304 -13.007 -1.568 339 1HE MET 48 HE3 MET 48 64.823 -11.765 0.466 340 2HE MET 48 HE2 MET 48 63.484 -10.931 1.252 341 3HE MET 48 HE1 MET 48 64.245 -12.304 2.049 342 H LEU 49 HN LEU 49 63.438 -8.424 -2.572 343 HA LEU 49 HA LEU 49 60.871 -7.492 -2.976 344 1HB LEU 49 HB2 LEU 49 63.259 -5.941 -3.995 345 2HB LEU 49 HB1 LEU 49 61.773 -5.308 -3.288 346 HG LEU 49 HG LEU 49 64.011 -6.780 -1.892 347 1HD1 LEU 49 HD11 LEU 49 63.010 -4.024 -2.056 348 2HD1 LEU 49 HD13 LEU 49 63.244 -4.590 -0.402 349 3HD1 LEU 49 HD12 LEU 49 64.589 -4.618 -1.542 350 1HD2 LEU 49 HD23 LEU 49 61.165 -6.268 -1.003 351 2HD2 LEU 49 HD22 LEU 49 62.042 -7.799 -1.004 352 3HD2 LEU 49 HD21 LEU 49 62.475 -6.536 0.148 353 H GLY 50 HN GLY 50 63.383 -7.603 -5.532 354 1HA GLY 50 HA2 GLY 50 62.278 -8.714 -7.656 355 2HA GLY 50 HA1 GLY 50 61.223 -7.303 -7.554 356 H GLN 51 HN GLN 51 64.720 -8.076 -7.574 357 HA GLN 51 HA GLN 51 65.221 -6.277 -9.779 358 1HB GLN 51 HB2 GLN 51 65.005 -4.998 -7.319 359 2HB GLN 51 HB1 GLN 51 66.743 -5.223 -7.513 360 1HG GLN 51 HG2 GLN 51 65.947 -3.083 -8.513 361 2HG GLN 51 HG1 GLN 51 66.672 -4.156 -9.710 362 1HE2 GLN 51 HE22 GLN 51 62.649 -3.387 -9.863 363 2HE2 GLN 51 HE21 GLN 51 63.535 -2.969 -8.477 364 H ASN 52 HN ASN 52 67.019 -7.073 -10.771 365 HA ASN 52 HA ASN 52 69.021 -8.504 -9.071 366 1HB ASN 52 HB2 ASN 52 67.860 -9.322 -11.744 367 2HB ASN 52 HB1 ASN 52 69.339 -10.026 -11.088 368 1HD2 ASN 52 HD22 ASN 52 67.557 -11.594 -8.316 369 2HD2 ASN 52 HD21 ASN 52 68.995 -10.740 -8.614 370 HA PRO 53 HA PRO 53 71.024 -5.269 -11.717 371 1HB PRO 53 HB2 PRO 53 72.159 -3.889 -9.625 372 2HB PRO 53 HB1 PRO 53 70.551 -3.529 -10.275 373 1HG PRO 53 HG2 PRO 53 71.279 -4.905 -7.733 374 2HG PRO 53 HG1 PRO 53 69.819 -3.985 -8.133 375 1HD PRO 53 HD2 PRO 53 70.032 -6.807 -8.067 376 2HD PRO 53 HD1 PRO 53 68.697 -5.877 -8.777 377 H THR 54 HN THR 54 73.515 -4.671 -11.516 378 HA THR 54 HA THR 54 74.957 -7.189 -11.266 379 HB THR 54 HB THR 54 76.945 -5.779 -11.878 380 HG1 THR 54 HG1 THR 54 76.771 -3.674 -11.896 381 1HG2 THR 54 HG22 THR 54 75.284 -6.780 -13.543 382 2HG2 THR 54 HG21 THR 54 74.573 -5.170 -13.649 383 3HG2 THR 54 HG23 THR 54 76.251 -5.429 -14.131 384 H LYS 55 HN LYS 55 76.071 -7.896 -9.498 385 HA LYS 55 HA LYS 55 75.804 -6.858 -6.935 386 1HB LYS 55 HB2 LYS 55 77.590 -8.763 -8.243 387 2HB LYS 55 HB1 LYS 55 78.380 -7.926 -6.908 388 1HG LYS 55 HG2 LYS 55 76.974 -8.826 -5.327 389 2HG LYS 55 HG1 LYS 55 75.602 -8.896 -6.436 390 1HD LYS 55 HD2 LYS 55 76.131 -10.988 -7.152 391 2HD LYS 55 HD1 LYS 55 77.860 -10.635 -7.193 392 1HE LYS 55 HE2 LYS 55 77.341 -12.336 -5.477 393 2HE LYS 55 HE1 LYS 55 77.975 -10.863 -4.743 394 1HZ LYS 55 HZ3 LYS 55 75.334 -10.370 -4.815 395 2HZ LYS 55 HZ2 LYS 55 75.351 -12.047 -4.533 396 3HZ LYS 55 HZ1 LYS 55 76.158 -10.996 -3.470 397 H GLU 56 HN GLU 56 78.247 -6.003 -9.364 398 HA GLU 56 HA GLU 56 79.909 -4.383 -7.743 399 1HB GLU 56 HB2 GLU 56 79.370 -4.689 -10.618 400 2HB GLU 56 HB1 GLU 56 79.895 -3.067 -10.166 401 1HG GLU 56 HG2 GLU 56 81.783 -4.651 -10.725 402 2HG GLU 56 HG1 GLU 56 81.893 -3.927 -9.119 403 H GLU 57 HN GLU 57 77.333 -3.191 -9.938 404 HA GLU 57 HA GLU 57 77.251 -0.553 -8.974 405 1HB GLU 57 HB2 GLU 57 75.893 -1.849 -10.891 406 2HB GLU 57 HB1 GLU 57 74.648 -1.848 -9.641 407 1HG GLU 57 HG2 GLU 57 74.556 0.498 -9.552 408 2HG GLU 57 HG1 GLU 57 76.143 0.680 -10.301 409 H LEU 58 HN LEU 58 76.057 -3.484 -7.505 410 HA LEU 58 HA LEU 58 74.211 -2.264 -5.665 411 1HB LEU 58 HB2 LEU 58 74.685 -4.813 -6.299 412 2HB LEU 58 HB1 LEU 58 75.730 -4.718 -4.881 413 HG LEU 58 HG LEU 58 73.245 -3.421 -4.275 414 1HD1 LEU 58 HD12 LEU 58 72.764 -5.286 -6.210 415 2HD1 LEU 58 HD11 LEU 58 72.640 -6.277 -4.756 416 3HD1 LEU 58 HD13 LEU 58 71.608 -4.859 -4.947 417 1HD2 LEU 58 HD21 LEU 58 75.046 -5.485 -3.243 418 2HD2 LEU 58 HD23 LEU 58 74.076 -4.305 -2.362 419 3HD2 LEU 58 HD22 LEU 58 73.354 -5.828 -2.883 420 H ASP 59 HN ASP 59 77.638 -3.236 -5.329 421 HA ASP 59 HA ASP 59 77.976 -2.390 -2.644 422 1HB ASP 59 HB2 ASP 59 79.608 -3.548 -4.480 423 2HB ASP 59 HB1 ASP 59 80.248 -1.905 -4.490 424 H ALA 60 HN ALA 60 78.509 -0.573 -5.679 425 HA ALA 60 HA ALA 60 79.305 1.872 -4.466 426 1HB ALA 60 HB3 ALA 60 79.101 1.063 -7.022 427 2HB ALA 60 HB2 ALA 60 77.608 1.995 -6.915 428 3HB ALA 60 HB1 ALA 60 79.156 2.769 -6.582 429 H ILE 61 HN ILE 61 76.091 0.556 -5.179 430 HA ILE 61 HA ILE 61 74.576 2.883 -4.547 431 HB ILE 61 HB ILE 61 74.000 -0.074 -4.517 432 1HG1 ILE 61 HG12 ILE 61 72.622 2.156 -6.019 433 2HG1 ILE 61 HG11 ILE 61 74.115 1.426 -6.610 434 1HG2 ILE 61 HG21 ILE 61 72.541 2.000 -3.058 435 2HG2 ILE 61 HG23 ILE 61 71.532 1.179 -4.251 436 3HG2 ILE 61 HG22 ILE 61 72.355 0.247 -3.000 437 1HD1 ILE 61 HD12 ILE 61 71.648 -0.180 -5.899 438 2HD1 ILE 61 HD11 ILE 61 72.002 0.385 -7.533 439 3HD1 ILE 61 HD13 ILE 61 73.093 -0.750 -6.737 440 H ILE 62 HN ILE 62 75.674 0.189 -2.476 441 HA ILE 62 HA ILE 62 74.469 1.147 -0.068 442 HB ILE 62 HB ILE 62 76.973 -0.523 -0.452 443 1HG1 ILE 62 HG12 ILE 62 74.459 -1.749 0.490 444 2HG1 ILE 62 HG11 ILE 62 74.389 -1.136 -1.163 445 1HG2 ILE 62 HG21 ILE 62 76.224 0.730 1.851 446 2HG2 ILE 62 HG23 ILE 62 75.320 -0.779 1.991 447 3HG2 ILE 62 HG22 ILE 62 77.074 -0.816 1.809 448 1HD1 ILE 62 HD11 ILE 62 76.896 -2.515 -0.686 449 2HD1 ILE 62 HD13 ILE 62 75.525 -3.563 -0.321 450 3HD1 ILE 62 HD12 ILE 62 75.672 -2.827 -1.917 451 H GLU 63 HN GLU 63 77.622 1.790 -1.566 452 HA GLU 63 HA GLU 63 78.704 3.293 0.628 453 1HB GLU 63 HB2 GLU 63 79.309 3.119 -2.316 454 2HB GLU 63 HB1 GLU 63 80.105 4.339 -1.320 455 1HG GLU 63 HG2 GLU 63 80.928 2.592 0.199 456 2HG GLU 63 HG1 GLU 63 80.104 1.359 -0.757 457 H GLU 64 HN GLU 64 76.215 4.007 -1.600 458 HA GLU 64 HA GLU 64 76.527 6.937 -1.123 459 1HB GLU 64 HB2 GLU 64 74.781 5.461 -3.118 460 2HB GLU 64 HB1 GLU 64 74.929 7.213 -2.982 461 1HG GLU 64 HG2 GLU 64 77.188 5.296 -3.632 462 2HG GLU 64 HG1 GLU 64 76.377 6.361 -4.782 463 H VAL 65 HN VAL 65 74.704 4.190 -0.196 464 HA VAL 65 HA VAL 65 72.324 5.747 0.572 465 HB VAL 65 HB VAL 65 73.096 2.840 0.903 466 1HG1 VAL 65 HG13 VAL 65 70.666 4.357 1.878 467 2HG1 VAL 65 HG12 VAL 65 70.678 2.606 1.669 468 3HG1 VAL 65 HG11 VAL 65 71.770 3.363 2.829 469 1HG2 VAL 65 HG21 VAL 65 72.379 3.803 -1.359 470 2HG2 VAL 65 HG23 VAL 65 71.428 2.442 -0.765 471 3HG2 VAL 65 HG22 VAL 65 70.799 4.084 -0.627 472 H ASP 66 HN ASP 66 75.233 4.448 2.043 473 HA ASP 66 HA ASP 66 74.265 4.963 4.771 474 1HB ASP 66 HB2 ASP 66 76.651 3.728 3.525 475 2HB ASP 66 HB1 ASP 66 76.948 4.572 5.045 476 H GLU 67 HN GLU 67 73.821 7.306 4.196 477 HA GLU 67 HA GLU 67 75.978 9.113 3.617 478 1HB GLU 67 HB2 GLU 67 74.398 10.873 4.415 479 2HB GLU 67 HB1 GLU 67 73.653 9.772 3.253 480 1HG GLU 67 HG2 GLU 67 72.330 8.752 4.855 481 2HG GLU 67 HG1 GLU 67 73.463 9.099 6.161 482 H ASP 68 HN ASP 68 74.902 7.574 6.542 483 HA ASP 68 HA ASP 68 76.454 9.452 8.230 484 1HB ASP 68 HB2 ASP 68 75.497 8.274 10.113 485 2HB ASP 68 HB1 ASP 68 74.202 8.576 8.956 486 H GLY 69 HN GLY 69 76.535 6.108 7.074 487 1HA GLY 69 HA2 GLY 69 78.541 4.838 6.763 488 2HA GLY 69 HA1 GLY 69 79.404 5.998 7.773 489 H SER 70 HN SER 70 76.356 4.441 8.647 490 HA SER 70 HA SER 70 77.534 3.533 11.164 491 1HB SER 70 HB2 SER 70 75.137 2.430 11.295 492 2HB SER 70 HB1 SER 70 75.319 4.173 11.476 493 HG SER 70 HG SER 70 74.652 2.737 9.115 494 H GLY 71 HN GLY 71 77.830 2.331 8.152 495 1HA GLY 71 HA2 GLY 71 78.484 0.222 7.356 496 2HA GLY 71 HA1 GLY 71 78.660 -0.270 9.041 497 H THR 72 HN THR 72 75.581 0.990 8.461 498 HA THR 72 HA THR 72 74.428 -1.617 7.653 499 HB THR 72 HB THR 72 72.746 -1.154 9.667 500 HG1 THR 72 HG1 THR 72 73.486 0.309 10.948 501 1HG2 THR 72 HG23 THR 72 75.120 -2.768 9.287 502 2HG2 THR 72 HG22 THR 72 74.903 -2.374 10.992 503 3HG2 THR 72 HG21 THR 72 73.612 -3.183 10.102 504 H ILE 73 HN ILE 73 71.967 -1.347 7.391 505 HA ILE 73 HA ILE 73 71.423 1.413 6.375 506 HB ILE 73 HB ILE 73 70.300 -1.249 5.453 507 1HG1 ILE 73 HG12 ILE 73 72.699 -0.645 4.829 508 2HG1 ILE 73 HG11 ILE 73 71.611 -0.923 3.471 509 1HG2 ILE 73 HG23 ILE 73 69.825 1.567 4.430 510 2HG2 ILE 73 HG22 ILE 73 69.209 0.091 3.687 511 3HG2 ILE 73 HG21 ILE 73 68.648 0.573 5.287 512 1HD1 ILE 73 HD11 ILE 73 71.531 1.851 4.347 513 2HD1 ILE 73 HD13 ILE 73 73.165 1.359 3.899 514 3HD1 ILE 73 HD12 ILE 73 71.846 1.197 2.739 515 H ASP 74 HN ASP 74 69.501 2.399 6.998 516 HA ASP 74 HA ASP 74 67.903 0.924 9.053 517 1HB ASP 74 HB2 ASP 74 68.861 3.719 8.828 518 2HB ASP 74 HB1 ASP 74 67.200 3.535 9.391 519 H PHE 75 HN PHE 75 65.554 1.302 8.994 520 HA PHE 75 HA PHE 75 64.330 0.922 6.537 521 1HB PHE 75 HB2 PHE 75 63.288 0.872 8.901 522 2HB PHE 75 HB1 PHE 75 62.998 2.597 8.664 523 HD1 PHE 75 HD2 PHE 75 62.840 -0.347 6.351 524 HD2 PHE 75 HD1 PHE 75 60.747 2.950 8.139 525 HE1 PHE 75 HE2 PHE 75 60.843 -0.869 4.974 526 HE2 PHE 75 HE1 PHE 75 58.750 2.430 6.762 527 HZ PHE 75 HZ PHE 75 58.798 0.520 5.181 528 H GLU 76 HN GLU 76 64.920 4.064 8.128 529 HA GLU 76 HA GLU 76 63.692 5.692 6.150 530 1HB GLU 76 HB2 GLU 76 65.862 6.127 8.180 531 2HB GLU 76 HB1 GLU 76 65.544 7.378 6.978 532 1HG GLU 76 HG2 GLU 76 63.110 7.284 7.640 533 2HG GLU 76 HG1 GLU 76 63.574 6.212 8.961 534 H GLU 77 HN GLU 77 67.014 4.425 6.367 535 HA GLU 77 HA GLU 77 67.868 5.759 3.928 536 1HB GLU 77 HB2 GLU 77 69.094 3.403 5.396 537 2HB GLU 77 HB1 GLU 77 69.885 4.360 4.142 538 1HG GLU 77 HG2 GLU 77 69.826 6.343 5.516 539 2HG GLU 77 HG1 GLU 77 68.821 5.537 6.722 540 H PHE 78 HN PHE 78 66.023 2.964 4.607 541 HA PHE 78 HA PHE 78 66.754 1.346 2.343 542 1HB PHE 78 HB2 PHE 78 65.093 1.030 4.525 543 2HB PHE 78 HB1 PHE 78 63.945 1.177 3.194 544 HD1 PHE 78 HD1 PHE 78 67.113 -0.578 4.147 545 HD2 PHE 78 HD2 PHE 78 63.496 -0.677 1.835 546 HE1 PHE 78 HE1 PHE 78 67.623 -2.904 3.451 547 HE2 PHE 78 HE2 PHE 78 64.005 -3.002 1.137 548 HZ PHE 78 HZ PHE 78 66.069 -4.116 1.945 549 H LEU 79 HN LEU 79 63.842 3.361 2.860 550 HA LEU 79 HA LEU 79 62.748 3.309 0.320 551 1HB LEU 79 HB2 LEU 79 63.063 5.841 1.960 552 2HB LEU 79 HB1 LEU 79 61.805 5.499 0.772 553 HG LEU 79 HG LEU 79 62.239 4.075 3.414 554 1HD1 LEU 79 HD12 LEU 79 59.979 5.788 2.340 555 2HD1 LEU 79 HD11 LEU 79 59.963 4.942 3.888 556 3HD1 LEU 79 HD13 LEU 79 61.119 6.245 3.607 557 1HD2 LEU 79 HD22 LEU 79 60.475 3.469 1.039 558 2HD2 LEU 79 HD21 LEU 79 61.528 2.371 1.931 559 3HD2 LEU 79 HD23 LEU 79 60.030 2.945 2.663 560 H VAL 80 HN VAL 80 65.659 4.970 1.362 561 HA VAL 80 HA VAL 80 65.987 6.577 -1.015 562 HB VAL 80 HB VAL 80 67.782 5.709 1.242 563 1HG1 VAL 80 HG13 VAL 80 68.593 6.877 -1.405 564 2HG1 VAL 80 HG12 VAL 80 69.452 7.363 0.057 565 3HG1 VAL 80 HG11 VAL 80 69.418 5.666 -0.422 566 1HG2 VAL 80 HG23 VAL 80 66.152 7.610 1.457 567 2HG2 VAL 80 HG22 VAL 80 67.832 8.089 1.698 568 3HG2 VAL 80 HG21 VAL 80 67.025 8.441 0.170 569 H MET 81 HN MET 81 67.889 3.735 0.049 570 HA MET 81 HA MET 81 69.256 3.189 -2.283 571 1HB MET 81 HB2 MET 81 69.525 1.916 -0.192 572 2HB MET 81 HB1 MET 81 67.952 1.159 -0.450 573 1HG MET 81 HG2 MET 81 68.760 -0.268 -2.014 574 2HG MET 81 HG1 MET 81 69.772 0.971 -2.753 575 1HE MET 81 HE1 MET 81 69.191 -0.177 0.679 576 2HE MET 81 HE3 MET 81 70.668 -0.953 1.270 577 3HE MET 81 HE2 MET 81 70.564 0.803 1.184 578 H MET 82 HN MET 82 65.855 2.465 -1.609 579 HA MET 82 HA MET 82 65.441 0.843 -3.959 580 1HB MET 82 HB2 MET 82 63.433 2.472 -2.372 581 2HB MET 82 HB1 MET 82 63.051 1.174 -3.505 582 1HG MET 82 HG2 MET 82 64.674 0.884 -0.960 583 2HG MET 82 HG1 MET 82 63.017 0.328 -1.197 584 1HE MET 82 HE2 MET 82 62.225 -1.176 -2.782 585 2HE MET 82 HE1 MET 82 63.117 -0.944 -4.283 586 3HE MET 82 HE3 MET 82 63.082 -2.534 -3.506 587 H VAL 83 HN VAL 83 64.367 4.198 -3.277 588 HA VAL 83 HA VAL 83 63.794 4.693 -6.081 589 HB VAL 83 HB VAL 83 64.138 6.729 -3.864 590 1HG1 VAL 83 HG12 VAL 83 63.336 6.811 -6.671 591 2HG1 VAL 83 HG11 VAL 83 62.095 7.475 -5.609 592 3HG1 VAL 83 HG13 VAL 83 63.728 8.141 -5.581 593 1HG2 VAL 83 HG22 VAL 83 62.044 4.708 -4.395 594 2HG2 VAL 83 HG21 VAL 83 62.430 5.560 -2.900 595 3HG2 VAL 83 HG23 VAL 83 61.446 6.347 -4.134 596 H ARG 84 HN ARG 84 66.703 4.309 -4.619 597 HA ARG 84 HA ARG 84 68.188 6.594 -5.516 598 1HB ARG 84 HB2 ARG 84 69.102 5.105 -3.820 599 2HB ARG 84 HB1 ARG 84 69.056 3.746 -4.943 600 1HG ARG 84 HG2 ARG 84 70.954 4.395 -5.997 601 2HG ARG 84 HG1 ARG 84 70.492 6.098 -5.969 602 1HD ARG 84 HD2 ARG 84 71.280 6.382 -3.738 603 2HD ARG 84 HD1 ARG 84 71.400 4.641 -3.480 604 HE ARG 84 HE ARG 84 73.542 4.742 -4.443 605 1HH1 ARG 84 HH11 ARG 84 72.759 7.873 -4.181 606 2HH1 ARG 84 HH12 ARG 84 73.500 8.423 -5.646 607 1HH2 ARG 84 HH21 ARG 84 74.006 5.232 -6.904 608 2HH2 ARG 84 HH22 ARG 84 74.206 6.929 -7.188 609 H GLN 85 HN GLN 85 67.832 3.314 -6.914 610 HA GLN 85 HA GLN 85 68.942 4.352 -9.466 611 1HB GLN 85 HB2 GLN 85 69.051 1.992 -10.138 612 2HB GLN 85 HB1 GLN 85 69.832 2.212 -8.573 613 1HG GLN 85 HG2 GLN 85 68.501 0.474 -7.940 614 2HG GLN 85 HG1 GLN 85 67.266 1.723 -7.792 615 1HE2 GLN 85 HE22 GLN 85 67.211 -0.352 -11.346 616 2HE2 GLN 85 HE21 GLN 85 68.699 0.164 -10.714 617 H MET 86 HN MET 86 65.980 3.080 -8.048 618 HA MET 86 HA MET 86 64.464 2.532 -10.341 619 1HB MET 86 HB2 MET 86 63.847 3.459 -7.585 620 2HB MET 86 HB1 MET 86 62.579 3.695 -8.787 621 1HG MET 86 HG2 MET 86 62.324 1.419 -9.170 622 2HG MET 86 HG1 MET 86 63.973 1.045 -8.672 623 1HE MET 86 HE3 MET 86 60.491 1.720 -7.988 624 2HE MET 86 HE2 MET 86 60.174 1.428 -6.279 625 3HE MET 86 HE1 MET 86 60.842 2.976 -6.792 626 H LYS 87 HN LYS 87 65.536 5.616 -9.091 627 HA LYS 87 HA LYS 87 63.711 7.339 -10.422 628 1HB LYS 87 HB2 LYS 87 65.931 7.694 -8.830 629 2HB LYS 87 HB1 LYS 87 66.503 8.274 -10.395 630 1HG LYS 87 HG2 LYS 87 64.799 9.911 -10.543 631 2HG LYS 87 HG1 LYS 87 63.839 9.146 -9.275 632 1HD LYS 87 HD2 LYS 87 64.873 11.046 -8.254 633 2HD LYS 87 HD1 LYS 87 65.776 9.641 -7.690 634 1HE LYS 87 HE2 LYS 87 67.473 11.136 -8.333 635 2HE LYS 87 HE1 LYS 87 67.312 10.087 -9.742 636 1HZ LYS 87 HZ2 LYS 87 65.800 12.616 -9.477 637 2HZ LYS 87 HZ1 LYS 87 67.350 12.560 -10.171 638 3HZ LYS 87 HZ3 LYS 87 66.073 11.696 -10.878 639 H GLU 88 HN GLU 88 67.040 6.589 -11.519 640 HA GLU 88 HA GLU 88 67.832 6.178 -13.699 641 1HB GLU 88 HB2 GLU 88 65.146 5.304 -13.769 642 2HB GLU 88 HB1 GLU 88 65.360 6.330 -15.188 643 1HG GLU 88 HG2 GLU 88 67.005 3.911 -14.405 644 2HG GLU 88 HG1 GLU 88 65.992 4.100 -15.836 645 H ASP 89 HN ASP 89 68.579 8.462 -13.360 646 HA ASP 89 HA ASP 89 66.982 10.508 -14.792 647 1HB ASP 89 HB2 ASP 89 68.892 12.019 -14.011 648 2HB ASP 89 HB1 ASP 89 67.896 11.311 -12.739 649 H ALA 90 HN ALA 90 67.430 9.156 -16.825 650 HA ALA 90 HA ALA 90 70.148 9.278 -17.897 651 1HB ALA 90 HB2 ALA 90 67.509 8.553 -19.206 652 2HB ALA 90 HB1 ALA 90 69.092 8.362 -19.958 653 3HB ALA 90 HB3 ALA 90 68.677 7.420 -18.526 No H/Q in entry = 653 Start of MODEL 26 1 1H ALA 1 HT1 ALA 1 66.094 12.548 12.796 2 2H ALA 1 HT3 ALA 1 64.735 11.536 12.855 3 3H ALA 1 HT2 ALA 1 65.990 11.335 13.983 4 HA ALA 1 HA ALA 1 67.227 10.113 12.606 5 1HB ALA 1 HB1 ALA 1 64.949 9.115 12.411 6 2HB ALA 1 HB3 ALA 1 64.666 10.106 10.981 7 3HB ALA 1 HB2 ALA 1 65.920 8.865 10.961 8 H SER 2 HN SER 2 68.715 10.341 10.960 9 HA SER 2 HA SER 2 69.072 12.781 9.624 10 1HB SER 2 HB2 SER 2 70.255 10.145 9.532 11 2HB SER 2 HB1 SER 2 70.125 10.804 7.904 12 HG SER 2 HG SER 2 71.724 12.056 8.403 13 H MET 3 HN MET 3 67.897 13.733 8.039 14 HA MET 3 HA MET 3 66.425 11.958 6.132 15 1HB MET 3 HB2 MET 3 64.594 13.597 6.109 16 2HB MET 3 HB1 MET 3 64.868 13.017 7.753 17 1HG MET 3 HG2 MET 3 66.597 15.169 7.566 18 2HG MET 3 HG1 MET 3 65.188 15.715 6.655 19 1HE MET 3 HE1 MET 3 66.962 15.048 9.531 20 2HE MET 3 HE3 MET 3 66.287 16.535 10.215 21 3HE MET 3 HE2 MET 3 65.928 14.976 10.956 22 H THR 4 HN THR 4 68.699 12.500 5.110 23 HA THR 4 HA THR 4 69.336 15.060 4.115 24 HB THR 4 HB THR 4 70.611 13.875 2.370 25 HG1 THR 4 HG1 THR 4 70.364 11.610 2.239 26 1HG2 THR 4 HG23 THR 4 71.017 13.721 5.058 27 2HG2 THR 4 HG22 THR 4 70.962 12.009 4.635 28 3HG2 THR 4 HG21 THR 4 72.135 13.072 3.859 29 H ASP 5 HN ASP 5 69.243 15.484 1.578 30 HA ASP 5 HA ASP 5 66.456 15.831 0.920 31 1HB ASP 5 HB2 ASP 5 69.025 16.226 -0.618 32 2HB ASP 5 HB1 ASP 5 67.448 16.481 -1.368 33 H GLN 6 HN GLN 6 68.998 13.661 -0.342 34 HA GLN 6 HA GLN 6 67.458 12.378 -2.336 35 1HB GLN 6 HB2 GLN 6 69.051 10.577 -2.219 36 2HB GLN 6 HB1 GLN 6 69.939 12.063 -1.875 37 1HG GLN 6 HG2 GLN 6 69.336 11.518 0.620 38 2HG GLN 6 HG1 GLN 6 69.101 9.881 0.012 39 1HE2 GLN 6 HE22 GLN 6 72.555 9.244 -0.346 40 2HE2 GLN 6 HE21 GLN 6 70.973 8.650 -0.507 41 H GLN 7 HN GLN 7 67.514 11.947 1.157 42 HA GLN 7 HA GLN 7 65.841 9.554 1.097 43 1HB GLN 7 HB2 GLN 7 66.630 11.443 3.335 44 2HB GLN 7 HB1 GLN 7 65.665 9.985 3.574 45 1HG GLN 7 HG2 GLN 7 67.629 8.811 2.278 46 2HG GLN 7 HG1 GLN 7 68.549 10.233 2.772 47 1HE2 GLN 7 HE22 GLN 7 67.338 7.532 5.612 48 2HE2 GLN 7 HE21 GLN 7 66.647 7.489 4.061 49 H ALA 8 HN ALA 8 65.356 13.021 1.254 50 HA ALA 8 HA ALA 8 62.604 12.914 2.147 51 1HB ALA 8 HB1 ALA 8 64.210 14.938 2.163 52 2HB ALA 8 HB3 ALA 8 63.795 15.115 0.458 53 3HB ALA 8 HB2 ALA 8 62.537 15.239 1.689 54 H GLU 9 HN GLU 9 64.208 12.676 -0.964 55 HA GLU 9 HA GLU 9 61.704 12.954 -2.468 56 1HB GLU 9 HB2 GLU 9 64.477 12.085 -3.338 57 2HB GLU 9 HB1 GLU 9 63.123 12.389 -4.427 58 1HG GLU 9 HG2 GLU 9 63.038 14.709 -3.153 59 2HG GLU 9 HG1 GLU 9 64.728 14.335 -2.811 60 H ALA 10 HN ALA 10 63.718 10.361 -1.205 61 HA ALA 10 HA ALA 10 62.654 8.209 -2.734 62 1HB ALA 10 HB1 ALA 10 64.269 8.525 -0.346 63 2HB ALA 10 HB3 ALA 10 63.110 7.211 -0.142 64 3HB ALA 10 HB2 ALA 10 64.239 7.188 -1.497 65 H ARG 11 HN ARG 11 61.687 9.299 0.544 66 HA ARG 11 HA ARG 11 59.327 7.642 0.588 67 1HB ARG 11 HB2 ARG 11 60.530 9.742 2.284 68 2HB ARG 11 HB1 ARG 11 58.770 9.645 2.367 69 1HG ARG 11 HG2 ARG 11 58.909 7.804 3.647 70 2HG ARG 11 HG1 ARG 11 59.840 6.982 2.394 71 1HD ARG 11 HD2 ARG 11 61.340 6.977 4.189 72 2HD ARG 11 HD1 ARG 11 61.833 8.420 3.302 73 HE ARG 11 HE ARG 11 61.242 9.637 5.219 74 1HH1 ARG 11 HH11 ARG 11 60.267 6.473 5.746 75 2HH1 ARG 11 HH12 ARG 11 58.998 6.860 6.859 76 1HH2 ARG 11 HH21 ARG 11 59.212 10.278 6.322 77 2HH2 ARG 11 HH22 ARG 11 58.399 9.015 7.184 78 H ALA 12 HN ALA 12 60.024 10.846 -0.631 79 HA ALA 12 HA ALA 12 57.333 11.816 -0.784 80 1HB ALA 12 HB1 ALA 12 59.710 12.448 -2.560 81 2HB ALA 12 HB3 ALA 12 58.224 13.392 -2.470 82 3HB ALA 12 HB2 ALA 12 59.288 13.290 -1.069 83 H PHE 13 HN PHE 13 59.276 9.788 -2.935 84 HA PHE 13 HA PHE 13 57.137 9.750 -4.966 85 1HB PHE 13 HB2 PHE 13 59.374 9.725 -5.841 86 2HB PHE 13 HB1 PHE 13 59.842 8.403 -4.772 87 HD1 PHE 13 HD1 PHE 13 57.735 9.311 -7.694 88 HD2 PHE 13 HD2 PHE 13 59.356 6.122 -5.315 89 HE1 PHE 13 HE1 PHE 13 57.009 7.668 -9.403 90 HE2 PHE 13 HE2 PHE 13 58.629 4.478 -7.025 91 HZ PHE 13 HZ PHE 13 57.456 5.252 -9.068 92 H LEU 14 HN LEU 14 58.202 7.890 -2.240 93 HA LEU 14 HA LEU 14 56.660 5.511 -3.089 94 1HB LEU 14 HB2 LEU 14 58.093 5.973 -0.458 95 2HB LEU 14 HB1 LEU 14 57.583 4.428 -1.145 96 HG LEU 14 HG LEU 14 59.430 6.181 -2.729 97 1HD1 LEU 14 HD12 LEU 14 60.261 5.902 -0.299 98 2HD1 LEU 14 HD11 LEU 14 60.457 4.196 -0.698 99 3HD1 LEU 14 HD13 LEU 14 61.362 5.419 -1.589 100 1HD2 LEU 14 HD21 LEU 14 58.340 3.525 -2.860 101 2HD2 LEU 14 HD23 LEU 14 59.369 4.346 -4.033 102 3HD2 LEU 14 HD22 LEU 14 60.095 3.412 -2.726 103 H SER 15 HN SER 15 54.511 5.478 -2.678 104 HA SER 15 HA SER 15 53.215 7.381 -0.952 105 1HB SER 15 HB2 SER 15 52.429 5.290 -2.778 106 2HB SER 15 HB1 SER 15 51.507 5.149 -1.285 107 HG SER 15 HG SER 15 51.623 7.232 -3.153 108 H GLU 16 HN GLU 16 52.231 7.009 1.106 109 HA GLU 16 HA GLU 16 53.708 5.590 3.014 110 1HB GLU 16 HB2 GLU 16 51.349 7.125 3.003 111 2HB GLU 16 HB1 GLU 16 50.898 5.580 3.724 112 1HG GLU 16 HG2 GLU 16 53.293 6.027 4.947 113 2HG GLU 16 HG1 GLU 16 52.710 7.679 4.750 114 H GLU 17 HN GLU 17 51.030 4.459 0.996 115 HA GLU 17 HA GLU 17 50.713 1.922 2.332 116 1HB GLU 17 HB2 GLU 17 49.948 2.958 -0.399 117 2HB GLU 17 HB1 GLU 17 49.654 1.283 0.065 118 1HG GLU 17 HG2 GLU 17 47.721 2.025 0.973 119 2HG GLU 17 HG1 GLU 17 48.724 2.715 2.251 120 H MET 18 HN MET 18 52.708 3.036 -0.379 121 HA MET 18 HA MET 18 53.669 0.411 -1.101 122 1HB MET 18 HB2 MET 18 54.236 3.198 -1.837 123 2HB MET 18 HB1 MET 18 55.662 2.160 -1.872 124 1HG MET 18 HG2 MET 18 53.707 0.581 -3.046 125 2HG MET 18 HG1 MET 18 53.344 2.193 -3.661 126 1HE MET 18 HE3 MET 18 54.650 -0.789 -4.223 127 2HE MET 18 HE2 MET 18 56.005 -0.688 -5.346 128 3HE MET 18 HE1 MET 18 56.306 -0.682 -3.609 129 H ILE 19 HN ILE 19 54.600 2.768 1.315 130 HA ILE 19 HA ILE 19 57.186 1.504 1.850 131 HB ILE 19 HB ILE 19 55.571 3.632 3.276 132 1HG1 ILE 19 HG12 ILE 19 58.277 4.266 2.413 133 2HG1 ILE 19 HG11 ILE 19 57.300 3.679 1.067 134 1HG2 ILE 19 HG22 ILE 19 58.057 2.164 4.099 135 2HG2 ILE 19 HG21 ILE 19 57.897 3.874 4.501 136 3HG2 ILE 19 HG23 ILE 19 56.706 2.714 5.091 137 1HD1 ILE 19 HD12 ILE 19 55.718 5.466 2.673 138 2HD1 ILE 19 HD11 ILE 19 57.237 6.256 2.249 139 3HD1 ILE 19 HD13 ILE 19 56.184 5.629 0.979 140 H ALA 20 HN ALA 20 53.896 1.233 3.027 141 HA ALA 20 HA ALA 20 54.512 -0.147 5.478 142 1HB ALA 20 HB3 ALA 20 52.088 0.293 3.803 143 2HB ALA 20 HB2 ALA 20 52.051 -1.078 4.911 144 3HB ALA 20 HB1 ALA 20 52.322 0.551 5.532 145 H GLU 21 HN GLU 21 54.268 -1.145 2.135 146 HA GLU 21 HA GLU 21 54.086 -3.993 2.742 147 1HB GLU 21 HB2 GLU 21 54.308 -2.303 0.311 148 2HB GLU 21 HB1 GLU 21 54.974 -3.932 0.182 149 1HG GLU 21 HG2 GLU 21 52.596 -3.912 -0.470 150 2HG GLU 21 HG1 GLU 21 52.834 -4.867 0.994 151 H PHE 22 HN PHE 22 56.683 -1.822 1.586 152 HA PHE 22 HA PHE 22 58.726 -3.817 1.525 153 1HB PHE 22 HB2 PHE 22 58.934 -0.826 1.994 154 2HB PHE 22 HB1 PHE 22 60.298 -1.885 1.632 155 HD1 PHE 22 HD1 PHE 22 59.065 -3.735 -0.342 156 HD2 PHE 22 HD2 PHE 22 58.752 0.530 0.061 157 HE1 PHE 22 HE1 PHE 22 58.574 -3.543 -2.765 158 HE2 PHE 22 HE2 PHE 22 58.261 0.723 -2.363 159 HZ PHE 22 HZ PHE 22 58.172 -1.314 -3.776 160 H LYS 23 HN LYS 23 57.412 -1.860 4.139 161 HA LYS 23 HA LYS 23 59.442 -2.170 6.072 162 1HB LYS 23 HB2 LYS 23 57.525 -0.753 6.516 163 2HB LYS 23 HB1 LYS 23 56.430 -2.132 6.415 164 1HG LYS 23 HG2 LYS 23 56.795 -1.718 8.752 165 2HG LYS 23 HG1 LYS 23 57.722 -3.160 8.343 166 1HD LYS 23 HD2 LYS 23 59.770 -1.860 8.171 167 2HD LYS 23 HD1 LYS 23 58.876 -0.358 8.411 168 1HE LYS 23 HE2 LYS 23 60.098 -1.500 10.452 169 2HE LYS 23 HE1 LYS 23 58.502 -0.784 10.671 170 1HZ LYS 23 HZ1 LYS 23 58.863 -3.626 9.936 171 2HZ LYS 23 HZ3 LYS 23 58.834 -3.112 11.553 172 3HZ LYS 23 HZ2 LYS 23 57.477 -2.868 10.560 173 H ALA 24 HN ALA 24 57.185 -4.506 4.798 174 HA ALA 24 HA ALA 24 57.529 -6.428 6.958 175 1HB ALA 24 HB1 ALA 24 56.106 -6.301 4.380 176 2HB ALA 24 HB3 ALA 24 56.712 -7.905 4.791 177 3HB ALA 24 HB2 ALA 24 55.624 -7.064 5.895 178 H ALA 25 HN ALA 25 59.056 -5.812 3.834 179 HA ALA 25 HA ALA 25 60.618 -8.257 3.836 180 1HB ALA 25 HB2 ALA 25 60.023 -6.511 1.896 181 2HB ALA 25 HB1 ALA 25 61.578 -5.835 2.381 182 3HB ALA 25 HB3 ALA 25 61.478 -7.506 1.832 183 H PHE 26 HN PHE 26 61.044 -5.022 5.134 184 HA PHE 26 HA PHE 26 63.852 -5.068 5.566 185 1HB PHE 26 HB2 PHE 26 62.178 -3.133 5.931 186 2HB PHE 26 HB1 PHE 26 61.896 -3.851 7.518 187 HD1 PHE 26 HD1 PHE 26 64.834 -3.058 5.309 188 HD2 PHE 26 HD2 PHE 26 63.163 -2.991 9.265 189 HE1 PHE 26 HE1 PHE 26 66.900 -1.986 6.163 190 HE2 PHE 26 HE2 PHE 26 65.229 -1.919 10.119 191 HZ PHE 26 HZ PHE 26 67.098 -1.417 8.568 192 H ASP 27 HN ASP 27 61.263 -5.883 7.907 193 HA ASP 27 HA ASP 27 62.955 -6.906 9.927 194 1HB ASP 27 HB2 ASP 27 60.944 -8.196 10.673 195 2HB ASP 27 HB1 ASP 27 60.594 -6.497 10.351 196 H MET 28 HN MET 28 62.242 -8.225 6.828 197 HA MET 28 HA MET 28 62.724 -11.002 7.565 198 1HB MET 28 HB2 MET 28 61.444 -10.947 5.648 199 2HB MET 28 HB1 MET 28 62.196 -9.466 5.062 200 1HG MET 28 HG2 MET 28 62.800 -11.408 3.657 201 2HG MET 28 HG1 MET 28 64.213 -10.712 4.447 202 1HE MET 28 HE1 MET 28 65.785 -11.861 4.932 203 2HE MET 28 HE3 MET 28 65.940 -13.372 5.839 204 3HE MET 28 HE2 MET 28 65.601 -13.407 4.109 205 H PHE 29 HN PHE 29 64.636 -8.322 6.234 206 HA PHE 29 HA PHE 29 67.001 -10.004 5.856 207 1HB PHE 29 HB2 PHE 29 67.226 -7.031 6.045 208 2HB PHE 29 HB1 PHE 29 67.994 -8.143 4.914 209 HD1 PHE 29 HD1 PHE 29 65.667 -9.682 3.928 210 HD2 PHE 29 HD2 PHE 29 66.108 -5.476 4.671 211 HE1 PHE 29 HE1 PHE 29 63.895 -9.204 2.260 212 HE2 PHE 29 HE2 PHE 29 64.336 -4.995 3.002 213 HZ PHE 29 HZ PHE 29 63.231 -6.858 1.796 214 H ASP 30 HN ASP 30 65.502 -8.548 8.515 215 HA ASP 30 HA ASP 30 68.001 -8.066 10.004 216 1HB ASP 30 HB2 ASP 30 65.067 -7.724 10.590 217 2HB ASP 30 HB1 ASP 30 66.243 -7.699 11.906 218 H ALA 31 HN ALA 31 69.021 -9.973 10.517 219 HA ALA 31 HA ALA 31 67.527 -12.382 11.200 220 1HB ALA 31 HB2 ALA 31 69.755 -12.454 10.087 221 2HB ALA 31 HB1 ALA 31 70.480 -11.776 11.543 222 3HB ALA 31 HB3 ALA 31 69.731 -13.372 11.591 223 H ASP 32 HN ASP 32 69.044 -9.747 12.954 224 HA ASP 32 HA ASP 32 68.744 -11.153 15.535 225 1HB ASP 32 HB2 ASP 32 69.643 -8.316 14.936 226 2HB ASP 32 HB1 ASP 32 69.757 -9.130 16.497 227 H GLY 33 HN GLY 33 67.236 -8.526 13.707 228 1HA GLY 33 HA2 GLY 33 64.920 -7.920 13.931 229 2HA GLY 33 HA1 GLY 33 64.889 -8.720 15.505 230 H GLY 34 HN GLY 34 67.534 -6.592 14.762 231 1HA GLY 34 HA2 GLY 34 66.780 -4.853 16.993 232 2HA GLY 34 HA1 GLY 34 68.239 -4.707 16.013 233 H GLY 35 HN GLY 35 66.557 -4.794 13.509 234 1HA GLY 35 HA2 GLY 35 64.854 -3.294 12.522 235 2HA GLY 35 HA1 GLY 35 65.317 -2.081 13.716 236 H ASP 36 HN ASP 36 67.712 -4.019 12.045 237 HA ASP 36 HA ASP 36 68.265 -1.898 10.079 238 1HB ASP 36 HB2 ASP 36 70.733 -1.905 10.967 239 2HB ASP 36 HB1 ASP 36 69.535 -0.887 11.767 240 H ILE 37 HN ILE 37 69.015 -2.870 8.245 241 HA ILE 37 HA ILE 37 69.959 -5.687 8.491 242 HB ILE 37 HB ILE 37 69.182 -6.068 6.299 243 1HG1 ILE 37 HG12 ILE 37 69.038 -3.059 5.914 244 2HG1 ILE 37 HG11 ILE 37 70.316 -4.098 5.281 245 1HG2 ILE 37 HG23 ILE 37 67.410 -4.129 7.770 246 2HG2 ILE 37 HG22 ILE 37 66.921 -4.783 6.207 247 3HG2 ILE 37 HG21 ILE 37 67.216 -5.870 7.566 248 1HD1 ILE 37 HD11 ILE 37 68.320 -5.450 4.241 249 2HD1 ILE 37 HD13 ILE 37 67.428 -3.946 4.469 250 3HD1 ILE 37 HD12 ILE 37 68.870 -3.971 3.453 251 H SER 38 HN SER 38 72.079 -6.139 8.049 252 HA SER 38 HA SER 38 74.035 -4.138 7.695 253 1HB SER 38 HB2 SER 38 74.849 -6.258 8.362 254 2HB SER 38 HB1 SER 38 74.001 -7.090 7.061 255 HG SER 38 HG SER 38 76.115 -6.924 6.441 256 H THR 39 HN THR 39 75.001 -3.234 5.823 257 HA THR 39 HA THR 39 73.350 -2.954 3.529 258 HB THR 39 HB THR 39 75.156 -1.787 2.511 259 HG1 THR 39 HG1 THR 39 76.750 -3.186 4.390 260 1HG2 THR 39 HG23 THR 39 74.629 -1.451 5.381 261 2HG2 THR 39 HG22 THR 39 76.141 -0.719 4.841 262 3HG2 THR 39 HG21 THR 39 74.617 -0.253 4.085 263 H LYS 40 HN LYS 40 75.387 -5.531 4.453 264 HA LYS 40 HA LYS 40 76.038 -6.452 1.768 265 1HB LYS 40 HB2 LYS 40 76.182 -7.718 4.508 266 2HB LYS 40 HB1 LYS 40 76.587 -8.612 3.042 267 1HG LYS 40 HG2 LYS 40 77.893 -6.070 2.922 268 2HG LYS 40 HG1 LYS 40 78.232 -6.790 4.497 269 1HD LYS 40 HD2 LYS 40 78.398 -8.828 2.475 270 2HD LYS 40 HD1 LYS 40 79.409 -7.461 2.006 271 1HE LYS 40 HE2 LYS 40 79.609 -8.154 4.857 272 2HE LYS 40 HE1 LYS 40 80.158 -9.435 3.777 273 1HZ LYS 40 HZ3 LYS 40 81.014 -6.645 3.355 274 2HZ LYS 40 HZ2 LYS 40 81.813 -7.629 4.486 275 3HZ LYS 40 HZ1 LYS 40 81.764 -8.079 2.848 276 H ALA 41 HN ALA 41 73.421 -6.995 4.061 277 HA ALA 41 HA ALA 41 72.320 -9.248 2.555 278 1HB ALA 41 HB1 ALA 41 71.511 -7.667 4.963 279 2HB ALA 41 HB3 ALA 41 70.276 -8.603 4.122 280 3HB ALA 41 HB2 ALA 41 71.699 -9.410 4.780 281 H LEU 42 HN LEU 42 72.437 -5.991 1.925 282 HA LEU 42 HA LEU 42 69.758 -5.404 1.108 283 1HB LEU 42 HB2 LEU 42 72.462 -4.324 0.336 284 2HB LEU 42 HB1 LEU 42 71.010 -3.783 -0.507 285 HG LEU 42 HG LEU 42 71.683 -2.348 1.468 286 1HD1 LEU 42 HD13 LEU 42 68.993 -3.741 1.598 287 2HD1 LEU 42 HD12 LEU 42 69.382 -2.205 2.375 288 3HD1 LEU 42 HD11 LEU 42 69.384 -2.329 0.615 289 1HD2 LEU 42 HD21 LEU 42 72.354 -4.385 2.842 290 2HD2 LEU 42 HD23 LEU 42 71.389 -3.176 3.683 291 3HD2 LEU 42 HD22 LEU 42 70.632 -4.662 3.104 292 H GLY 43 HN GLY 43 72.496 -6.907 -0.583 293 1HA GLY 43 HA2 GLY 43 71.348 -7.018 -3.178 294 2HA GLY 43 HA1 GLY 43 72.551 -8.155 -2.568 295 H THR 44 HN THR 44 70.837 -9.021 -0.326 296 HA THR 44 HA THR 44 69.421 -11.134 -1.702 297 HB THR 44 HB THR 44 69.387 -10.250 1.199 298 HG1 THR 44 HG1 THR 44 71.231 -11.226 1.102 299 1HG2 THR 44 HG22 THR 44 68.147 -12.631 -0.191 300 2HG2 THR 44 HG21 THR 44 68.455 -12.592 1.544 301 3HG2 THR 44 HG23 THR 44 67.342 -11.431 0.820 302 H VAL 45 HN VAL 45 68.428 -8.154 -0.042 303 HA VAL 45 HA VAL 45 65.616 -8.549 -0.191 304 HB VAL 45 HB VAL 45 67.078 -5.908 -0.460 305 1HG1 VAL 45 HG11 VAL 45 64.290 -6.775 0.217 306 2HG1 VAL 45 HG13 VAL 45 64.937 -5.326 0.987 307 3HG1 VAL 45 HG12 VAL 45 64.829 -5.417 -0.771 308 1HG2 VAL 45 HG23 VAL 45 66.488 -7.657 1.931 309 2HG2 VAL 45 HG22 VAL 45 68.019 -6.913 1.472 310 3HG2 VAL 45 HG21 VAL 45 66.705 -5.915 2.099 311 H MET 46 HN MET 46 67.791 -6.828 -2.454 312 HA MET 46 HA MET 46 65.885 -6.141 -4.400 313 1HB MET 46 HB2 MET 46 68.773 -6.996 -4.747 314 2HB MET 46 HB1 MET 46 67.799 -6.275 -6.029 315 1HG MET 46 HG2 MET 46 67.863 -4.841 -3.419 316 2HG MET 46 HG1 MET 46 69.330 -4.790 -4.395 317 1HE MET 46 HE1 MET 46 69.514 -2.734 -4.597 318 2HE MET 46 HE3 MET 46 69.376 -2.452 -6.337 319 3HE MET 46 HE2 MET 46 68.424 -1.493 -5.208 320 H ARG 47 HN ARG 47 67.082 -9.264 -3.521 321 HA ARG 47 HA ARG 47 66.352 -10.564 -6.036 322 1HB ARG 47 HB2 ARG 47 67.739 -11.286 -3.622 323 2HB ARG 47 HB1 ARG 47 66.461 -12.464 -3.924 324 1HG ARG 47 HG2 ARG 47 68.352 -11.563 -6.104 325 2HG ARG 47 HG1 ARG 47 68.727 -12.923 -5.044 326 1HD ARG 47 HD2 ARG 47 66.095 -13.393 -5.849 327 2HD ARG 47 HD1 ARG 47 66.896 -12.804 -7.306 328 HE ARG 47 HE ARG 47 67.532 -15.303 -5.869 329 1HH1 ARG 47 HH11 ARG 47 70.074 -13.839 -6.586 330 2HH1 ARG 47 HH12 ARG 47 70.411 -14.471 -8.161 331 1HH2 ARG 47 HH21 ARG 47 67.218 -15.743 -8.624 332 2HH2 ARG 47 HH22 ARG 47 68.793 -15.548 -9.316 333 H MET 48 HN MET 48 65.109 -11.069 -2.712 334 HA MET 48 HA MET 48 62.735 -12.378 -3.435 335 1HB MET 48 HB2 MET 48 61.818 -11.260 -1.260 336 2HB MET 48 HB1 MET 48 63.178 -12.375 -1.132 337 1HG MET 48 HG2 MET 48 64.254 -9.795 -1.671 338 2HG MET 48 HG1 MET 48 63.067 -9.608 -0.382 339 1HE MET 48 HE1 MET 48 62.830 -11.023 1.535 340 2HE MET 48 HE3 MET 48 63.271 -12.656 1.020 341 3HE MET 48 HE2 MET 48 64.101 -11.903 2.379 342 H LEU 49 HN LEU 49 62.921 -8.890 -2.586 343 HA LEU 49 HA LEU 49 60.379 -8.109 -3.353 344 1HB LEU 49 HB2 LEU 49 62.851 -6.523 -4.092 345 2HB LEU 49 HB1 LEU 49 61.246 -5.898 -3.714 346 HG LEU 49 HG LEU 49 63.216 -7.202 -1.826 347 1HD1 LEU 49 HD12 LEU 49 61.859 -4.503 -2.009 348 2HD1 LEU 49 HD11 LEU 49 62.689 -5.054 -0.554 349 3HD1 LEU 49 HD13 LEU 49 63.588 -4.848 -2.057 350 1HD2 LEU 49 HD23 LEU 49 60.882 -8.089 -1.506 351 2HD2 LEU 49 HD22 LEU 49 61.484 -7.172 -0.124 352 3HD2 LEU 49 HD21 LEU 49 60.341 -6.430 -1.244 353 H GLY 50 HN GLY 50 63.048 -9.024 -5.442 354 1HA GLY 50 HA2 GLY 50 62.397 -9.979 -7.653 355 2HA GLY 50 HA1 GLY 50 61.217 -8.673 -7.782 356 H GLN 51 HN GLN 51 64.696 -9.358 -7.715 357 HA GLN 51 HA GLN 51 65.301 -7.497 -9.787 358 1HB GLN 51 HB2 GLN 51 64.818 -6.217 -7.346 359 2HB GLN 51 HB1 GLN 51 66.576 -6.302 -7.456 360 1HG GLN 51 HG2 GLN 51 65.712 -4.244 -8.519 361 2HG GLN 51 HG1 GLN 51 66.496 -5.293 -9.701 362 1HE2 GLN 51 HE22 GLN 51 62.508 -4.532 -10.007 363 2HE2 GLN 51 HE21 GLN 51 63.409 -3.932 -8.700 364 H ASN 52 HN ASN 52 67.341 -7.980 -10.538 365 HA ASN 52 HA ASN 52 69.121 -9.530 -8.696 366 1HB ASN 52 HB2 ASN 52 69.177 -9.901 -11.681 367 2HB ASN 52 HB1 ASN 52 69.667 -11.025 -10.413 368 1HD2 ASN 52 HD22 ASN 52 65.711 -10.784 -11.466 369 2HD2 ASN 52 HD21 ASN 52 66.787 -9.567 -11.957 370 HA PRO 53 HA PRO 53 71.346 -5.794 -10.237 371 1HB PRO 53 HB2 PRO 53 72.115 -4.934 -7.741 372 2HB PRO 53 HB1 PRO 53 70.591 -4.461 -8.515 373 1HG PRO 53 HG2 PRO 53 71.044 -6.389 -6.284 374 2HG PRO 53 HG1 PRO 53 69.603 -5.431 -6.665 375 1HD PRO 53 HD2 PRO 53 69.965 -8.184 -7.229 376 2HD PRO 53 HD1 PRO 53 68.683 -7.141 -7.883 377 H THR 54 HN THR 54 73.629 -5.653 -10.448 378 HA THR 54 HA THR 54 75.117 -8.047 -9.627 379 HB THR 54 HB THR 54 75.498 -7.143 -11.866 380 HG1 THR 54 HG1 THR 54 77.279 -7.963 -10.461 381 1HG2 THR 54 HG23 THR 54 75.940 -4.628 -10.307 382 2HG2 THR 54 HG22 THR 54 76.835 -4.856 -11.810 383 3HG2 THR 54 HG21 THR 54 75.070 -4.868 -11.821 384 H LYS 55 HN LYS 55 76.710 -8.104 -8.043 385 HA LYS 55 HA LYS 55 76.624 -6.297 -5.883 386 1HB LYS 55 HB2 LYS 55 79.031 -7.256 -5.449 387 2HB LYS 55 HB1 LYS 55 77.636 -8.331 -5.355 388 1HG LYS 55 HG2 LYS 55 78.212 -9.463 -7.255 389 2HG LYS 55 HG1 LYS 55 78.839 -8.017 -8.048 390 1HD LYS 55 HD2 LYS 55 80.772 -8.133 -6.351 391 2HD LYS 55 HD1 LYS 55 80.212 -9.771 -6.009 392 1HE LYS 55 HE2 LYS 55 80.799 -8.825 -8.819 393 2HE LYS 55 HE1 LYS 55 82.035 -9.555 -7.794 394 1HZ LYS 55 HZ3 LYS 55 79.428 -10.859 -8.301 395 2HZ LYS 55 HZ2 LYS 55 80.771 -11.100 -9.312 396 3HZ LYS 55 HZ1 LYS 55 80.844 -11.554 -7.676 397 H GLU 56 HN GLU 56 78.750 -6.287 -8.734 398 HA GLU 56 HA GLU 56 80.602 -4.336 -7.994 399 1HB GLU 56 HB2 GLU 56 79.229 -4.796 -10.652 400 2HB GLU 56 HB1 GLU 56 80.561 -3.655 -10.445 401 1HG GLU 56 HG2 GLU 56 80.716 -6.583 -9.678 402 2HG GLU 56 HG1 GLU 56 81.295 -5.937 -11.215 403 H GLU 57 HN GLU 57 77.234 -3.871 -8.992 404 HA GLU 57 HA GLU 57 77.531 -0.936 -8.781 405 1HB GLU 57 HB2 GLU 57 75.190 -2.716 -9.517 406 2HB GLU 57 HB1 GLU 57 75.093 -0.957 -9.430 407 1HG GLU 57 HG2 GLU 57 77.124 -2.411 -11.139 408 2HG GLU 57 HG1 GLU 57 75.552 -1.890 -11.746 409 H LEU 58 HN LEU 58 76.348 -3.638 -6.916 410 HA LEU 58 HA LEU 58 74.635 -2.141 -5.142 411 1HB LEU 58 HB2 LEU 58 75.200 -4.811 -5.517 412 2HB LEU 58 HB1 LEU 58 75.995 -4.478 -3.978 413 HG LEU 58 HG LEU 58 73.304 -3.293 -4.252 414 1HD1 LEU 58 HD13 LEU 58 73.681 -6.299 -4.072 415 2HD1 LEU 58 HD12 LEU 58 72.155 -5.445 -3.848 416 3HD1 LEU 58 HD11 LEU 58 72.949 -5.434 -5.423 417 1HD2 LEU 58 HD23 LEU 58 74.756 -3.346 -2.182 418 2HD2 LEU 58 HD22 LEU 58 73.137 -4.005 -1.947 419 3HD2 LEU 58 HD21 LEU 58 74.514 -5.093 -2.133 420 H ASP 59 HN ASP 59 77.896 -3.507 -4.511 421 HA ASP 59 HA ASP 59 78.471 -2.348 -2.087 422 1HB ASP 59 HB2 ASP 59 80.824 -2.358 -2.709 423 2HB ASP 59 HB1 ASP 59 80.043 -3.774 -3.412 424 H ALA 60 HN ALA 60 78.731 -0.704 -5.248 425 HA ALA 60 HA ALA 60 79.670 1.789 -4.176 426 1HB ALA 60 HB3 ALA 60 79.807 1.202 -6.584 427 2HB ALA 60 HB2 ALA 60 78.050 1.292 -6.694 428 3HB ALA 60 HB1 ALA 60 78.985 2.743 -6.337 429 H ILE 61 HN ILE 61 76.411 0.561 -4.896 430 HA ILE 61 HA ILE 61 74.945 2.911 -4.310 431 HB ILE 61 HB ILE 61 74.287 -0.026 -4.040 432 1HG1 ILE 61 HG12 ILE 61 72.953 1.911 -5.893 433 2HG1 ILE 61 HG11 ILE 61 74.595 1.390 -6.272 434 1HG2 ILE 61 HG21 ILE 61 72.970 1.349 -2.397 435 2HG2 ILE 61 HG23 ILE 61 72.353 2.288 -3.756 436 3HG2 ILE 61 HG22 ILE 61 71.979 0.569 -3.631 437 1HD1 ILE 61 HD13 ILE 61 73.234 -0.954 -5.528 438 2HD1 ILE 61 HD12 ILE 61 72.107 -0.072 -6.558 439 3HD1 ILE 61 HD11 ILE 61 73.714 -0.485 -7.158 440 H ILE 62 HN ILE 62 75.515 0.142 -2.104 441 HA ILE 62 HA ILE 62 74.478 1.096 0.259 442 HB ILE 62 HB ILE 62 77.101 -0.346 -0.203 443 1HG1 ILE 62 HG12 ILE 62 74.446 -1.357 0.855 444 2HG1 ILE 62 HG11 ILE 62 74.886 -1.413 -0.852 445 1HG2 ILE 62 HG21 ILE 62 75.608 0.183 2.385 446 2HG2 ILE 62 HG23 ILE 62 76.950 -0.949 2.214 447 3HG2 ILE 62 HG22 ILE 62 77.215 0.776 1.963 448 1HD1 ILE 62 HD11 ILE 62 76.956 -2.688 -0.209 449 2HD1 ILE 62 HD13 ILE 62 76.338 -2.762 1.440 450 3HD1 ILE 62 HD12 ILE 62 75.456 -3.550 0.133 451 H GLU 63 HN GLU 63 77.385 2.239 -1.367 452 HA GLU 63 HA GLU 63 78.462 3.756 0.821 453 1HB GLU 63 HB2 GLU 63 79.228 3.195 -1.795 454 2HB GLU 63 HB1 GLU 63 78.930 4.933 -1.813 455 1HG GLU 63 HG2 GLU 63 80.395 5.204 0.158 456 2HG GLU 63 HG1 GLU 63 80.708 3.468 0.160 457 H GLU 64 HN GLU 64 76.561 4.851 -2.015 458 HA GLU 64 HA GLU 64 76.191 7.511 -0.996 459 1HB GLU 64 HB2 GLU 64 75.462 6.031 -3.336 460 2HB GLU 64 HB1 GLU 64 74.016 6.820 -2.706 461 1HG GLU 64 HG2 GLU 64 75.100 8.979 -2.726 462 2HG GLU 64 HG1 GLU 64 76.654 8.247 -3.130 463 H VAL 65 HN VAL 65 74.897 4.589 0.066 464 HA VAL 65 HA VAL 65 72.307 5.742 0.899 465 HB VAL 65 HB VAL 65 73.421 3.034 1.656 466 1HG1 VAL 65 HG11 VAL 65 71.220 4.255 2.574 467 2HG1 VAL 65 HG13 VAL 65 70.550 3.610 1.074 468 3HG1 VAL 65 HG12 VAL 65 71.259 2.519 2.269 469 1HG2 VAL 65 HG23 VAL 65 73.249 3.790 -0.929 470 2HG2 VAL 65 HG22 VAL 65 72.865 2.154 -0.393 471 3HG2 VAL 65 HG21 VAL 65 71.571 3.322 -0.659 472 H ASP 66 HN ASP 66 75.333 4.578 2.376 473 HA ASP 66 HA ASP 66 74.408 5.338 5.059 474 1HB ASP 66 HB2 ASP 66 76.550 3.750 3.940 475 2HB ASP 66 HB1 ASP 66 77.200 4.916 5.093 476 H GLU 67 HN GLU 67 74.039 7.631 4.110 477 HA GLU 67 HA GLU 67 76.295 9.304 3.518 478 1HB GLU 67 HB2 GLU 67 73.446 9.802 4.336 479 2HB GLU 67 HB1 GLU 67 74.588 11.146 4.294 480 1HG GLU 67 HG2 GLU 67 74.697 9.399 1.922 481 2HG GLU 67 HG1 GLU 67 73.164 10.249 2.124 482 H ASP 68 HN ASP 68 75.125 7.981 6.455 483 HA ASP 68 HA ASP 68 76.501 10.059 8.076 484 1HB ASP 68 HB2 ASP 68 75.539 8.591 9.992 485 2HB ASP 68 HB1 ASP 68 74.409 9.557 9.042 486 H GLY 69 HN GLY 69 76.867 6.812 6.904 487 1HA GLY 69 HA2 GLY 69 78.805 5.462 6.970 488 2HA GLY 69 HA1 GLY 69 79.591 6.706 7.944 489 H SER 70 HN SER 70 76.480 5.311 8.798 490 HA SER 70 HA SER 70 77.445 4.606 11.438 491 1HB SER 70 HB2 SER 70 75.076 3.304 11.272 492 2HB SER 70 HB1 SER 70 75.202 5.029 11.605 493 HG SER 70 HG SER 70 74.211 5.337 9.788 494 H GLY 71 HN GLY 71 77.687 3.072 8.442 495 1HA GLY 71 HA2 GLY 71 78.613 0.967 7.920 496 2HA GLY 71 HA1 GLY 71 78.787 0.669 9.652 497 H THR 72 HN THR 72 75.643 1.644 9.022 498 HA THR 72 HA THR 72 74.680 -1.101 8.429 499 HB THR 72 HB THR 72 73.044 -0.886 10.352 500 HG1 THR 72 HG1 THR 72 74.858 0.997 11.382 501 1HG2 THR 72 HG22 THR 72 76.021 -1.075 10.801 502 2HG2 THR 72 HG21 THR 72 74.870 -1.344 12.109 503 3HG2 THR 72 HG23 THR 72 74.847 -2.386 10.686 504 H ILE 73 HN ILE 73 72.324 -1.090 7.907 505 HA ILE 73 HA ILE 73 71.497 1.578 6.836 506 HB ILE 73 HB ILE 73 70.913 -1.212 5.812 507 1HG1 ILE 73 HG12 ILE 73 73.167 -0.197 5.326 508 2HG1 ILE 73 HG11 ILE 73 72.208 -0.524 3.883 509 1HG2 ILE 73 HG22 ILE 73 69.009 0.521 5.675 510 2HG2 ILE 73 HG21 ILE 73 70.043 1.383 4.537 511 3HG2 ILE 73 HG23 ILE 73 69.498 -0.255 4.169 512 1HD1 ILE 73 HD12 ILE 73 71.441 2.052 4.637 513 2HD1 ILE 73 HD11 ILE 73 73.182 2.024 4.911 514 3HD1 ILE 73 HD13 ILE 73 72.535 1.637 3.317 515 H ASP 74 HN ASP 74 69.358 2.238 7.196 516 HA ASP 74 HA ASP 74 67.804 0.532 9.100 517 1HB ASP 74 HB2 ASP 74 66.760 2.895 9.651 518 2HB ASP 74 HB1 ASP 74 68.298 2.422 10.373 519 H PHE 75 HN PHE 75 65.382 0.932 8.929 520 HA PHE 75 HA PHE 75 64.383 0.371 6.393 521 1HB PHE 75 HB2 PHE 75 63.152 0.324 8.643 522 2HB PHE 75 HB1 PHE 75 62.842 2.041 8.383 523 HD1 PHE 75 HD2 PHE 75 62.961 -0.838 6.005 524 HD2 PHE 75 HD1 PHE 75 60.591 2.276 7.767 525 HE1 PHE 75 HE2 PHE 75 61.083 -1.409 4.484 526 HE2 PHE 75 HE1 PHE 75 58.712 1.709 6.251 527 HZ PHE 75 HZ PHE 75 58.958 -0.135 4.609 528 H GLU 76 HN GLU 76 65.274 3.490 7.716 529 HA GLU 76 HA GLU 76 63.896 5.035 5.672 530 1HB GLU 76 HB2 GLU 76 65.988 5.671 7.749 531 2HB GLU 76 HB1 GLU 76 65.511 6.864 6.541 532 1HG GLU 76 HG2 GLU 76 63.390 5.420 8.098 533 2HG GLU 76 HG1 GLU 76 64.245 6.769 8.846 534 H GLU 77 HN GLU 77 67.217 3.844 6.123 535 HA GLU 77 HA GLU 77 68.192 5.157 3.713 536 1HB GLU 77 HB2 GLU 77 69.343 2.975 5.470 537 2HB GLU 77 HB1 GLU 77 70.191 3.647 4.077 538 1HG GLU 77 HG2 GLU 77 69.956 5.922 5.091 539 2HG GLU 77 HG1 GLU 77 69.250 5.171 6.521 540 H PHE 78 HN PHE 78 66.483 2.232 4.378 541 HA PHE 78 HA PHE 78 67.402 0.690 2.128 542 1HB PHE 78 HB2 PHE 78 66.264 -0.749 3.481 543 2HB PHE 78 HB1 PHE 78 65.257 0.531 4.150 544 HD1 PHE 78 HD2 PHE 78 65.671 -1.772 1.253 545 HD2 PHE 78 HD1 PHE 78 63.080 0.977 3.294 546 HE1 PHE 78 HE2 PHE 78 63.775 -2.509 -0.165 547 HE2 PHE 78 HE1 PHE 78 61.181 0.241 1.876 548 HZ PHE 78 HZ PHE 78 61.530 -1.502 0.146 549 H LEU 79 HN LEU 79 64.521 2.756 2.604 550 HA LEU 79 HA LEU 79 63.409 2.511 0.036 551 1HB LEU 79 HB2 LEU 79 63.549 5.053 1.688 552 2HB LEU 79 HB1 LEU 79 62.372 4.691 0.424 553 HG LEU 79 HG LEU 79 62.716 2.989 2.906 554 1HD1 LEU 79 HD11 LEU 79 60.972 5.383 2.353 555 2HD1 LEU 79 HD13 LEU 79 60.451 4.128 3.479 556 3HD1 LEU 79 HD12 LEU 79 61.937 5.028 3.786 557 1HD2 LEU 79 HD21 LEU 79 61.683 1.990 0.826 558 2HD2 LEU 79 HD23 LEU 79 60.613 2.012 2.228 559 3HD2 LEU 79 HD22 LEU 79 60.413 3.208 0.948 560 H VAL 80 HN VAL 80 66.272 4.209 1.079 561 HA VAL 80 HA VAL 80 66.558 5.885 -1.258 562 HB VAL 80 HB VAL 80 68.667 4.857 0.667 563 1HG1 VAL 80 HG12 VAL 80 68.662 7.139 -1.332 564 2HG1 VAL 80 HG11 VAL 80 69.913 6.882 -0.115 565 3HG1 VAL 80 HG13 VAL 80 69.666 5.691 -1.391 566 1HG2 VAL 80 HG22 VAL 80 66.539 6.374 1.349 567 2HG2 VAL 80 HG21 VAL 80 68.129 6.587 2.082 568 3HG2 VAL 80 HG23 VAL 80 67.616 7.642 0.764 569 H MET 81 HN MET 81 68.216 2.861 -0.285 570 HA MET 81 HA MET 81 69.626 2.457 -2.708 571 1HB MET 81 HB2 MET 81 68.526 0.477 -0.696 572 2HB MET 81 HB1 MET 81 69.576 0.013 -2.035 573 1HG MET 81 HG2 MET 81 71.344 1.449 -1.227 574 2HG MET 81 HG1 MET 81 70.289 2.113 0.019 575 1HE MET 81 HE2 MET 81 69.621 1.414 1.794 576 2HE MET 81 HE1 MET 81 69.350 -0.254 2.291 577 3HE MET 81 HE3 MET 81 70.791 0.612 2.838 578 H MET 82 HN MET 82 66.286 1.851 -1.863 579 HA MET 82 HA MET 82 65.688 0.126 -4.090 580 1HB MET 82 HB2 MET 82 64.164 -0.069 -2.337 581 2HB MET 82 HB1 MET 82 64.139 1.665 -2.033 582 1HG MET 82 HG2 MET 82 62.513 2.036 -3.550 583 2HG MET 82 HG1 MET 82 63.188 0.886 -4.701 584 1HE MET 82 HE1 MET 82 63.610 -1.607 -3.202 585 2HE MET 82 HE3 MET 82 62.109 -2.540 -3.260 586 3HE MET 82 HE2 MET 82 62.696 -1.721 -4.704 587 H VAL 83 HN VAL 83 64.449 3.433 -3.482 588 HA VAL 83 HA VAL 83 63.658 3.960 -6.131 589 HB VAL 83 HB VAL 83 64.794 6.022 -4.225 590 1HG1 VAL 83 HG13 VAL 83 63.345 6.072 -6.772 591 2HG1 VAL 83 HG12 VAL 83 62.561 7.033 -5.517 592 3HG1 VAL 83 HG11 VAL 83 64.236 7.361 -5.962 593 1HG2 VAL 83 HG22 VAL 83 62.105 4.636 -4.303 594 2HG2 VAL 83 HG21 VAL 83 63.207 4.793 -2.934 595 3HG2 VAL 83 HG23 VAL 83 62.330 6.203 -3.528 596 H ARG 84 HN ARG 84 66.841 3.775 -4.806 597 HA ARG 84 HA ARG 84 68.245 5.497 -6.590 598 1HB ARG 84 HB2 ARG 84 68.966 3.852 -4.517 599 2HB ARG 84 HB1 ARG 84 69.614 2.973 -5.903 600 1HG ARG 84 HG2 ARG 84 71.332 4.421 -5.998 601 2HG ARG 84 HG1 ARG 84 70.191 5.732 -6.306 602 1HD ARG 84 HD2 ARG 84 70.327 4.851 -3.489 603 2HD ARG 84 HD1 ARG 84 71.803 5.597 -4.102 604 HE ARG 84 HE ARG 84 69.141 6.930 -3.970 605 1HH1 ARG 84 HH21 ARG 84 72.315 7.011 -5.223 606 2HH1 ARG 84 HH22 ARG 84 72.552 8.700 -4.917 607 1HH2 ARG 84 HH11 ARG 84 69.532 9.095 -3.261 608 2HH2 ARG 84 HH12 ARG 84 70.977 9.879 -3.807 609 H GLN 85 HN GLN 85 67.346 2.058 -6.897 610 HA GLN 85 HA GLN 85 67.535 2.352 -9.838 611 1HB GLN 85 HB2 GLN 85 69.234 0.535 -8.156 612 2HB GLN 85 HB1 GLN 85 68.730 0.003 -9.760 613 1HG GLN 85 HG2 GLN 85 69.614 2.726 -9.936 614 2HG GLN 85 HG1 GLN 85 70.852 1.781 -9.106 615 1HE2 GLN 85 HE22 GLN 85 71.988 0.632 -12.234 616 2HE2 GLN 85 HE21 GLN 85 72.370 1.343 -10.741 617 H MET 86 HN MET 86 65.140 2.243 -8.850 618 HA MET 86 HA MET 86 64.306 -0.617 -9.093 619 1HB MET 86 HB2 MET 86 62.631 -0.309 -7.395 620 2HB MET 86 HB1 MET 86 64.149 0.290 -6.726 621 1HG MET 86 HG2 MET 86 62.877 2.126 -6.227 622 2HG MET 86 HG1 MET 86 63.236 2.555 -7.900 623 1HE MET 86 HE2 MET 86 61.159 0.570 -5.580 624 2HE MET 86 HE1 MET 86 60.245 2.064 -5.403 625 3HE MET 86 HE3 MET 86 59.494 0.646 -6.148 626 H LYS 87 HN LYS 87 64.197 2.385 -10.472 627 HA LYS 87 HA LYS 87 61.382 2.176 -11.380 628 1HB LYS 87 HB2 LYS 87 63.508 4.282 -11.882 629 2HB LYS 87 HB1 LYS 87 61.850 4.366 -12.480 630 1HG LYS 87 HG2 LYS 87 60.980 4.827 -10.409 631 2HG LYS 87 HG1 LYS 87 62.183 3.846 -9.571 632 1HD LYS 87 HD2 LYS 87 63.053 5.869 -8.980 633 2HD LYS 87 HD1 LYS 87 63.767 5.811 -10.593 634 1HE LYS 87 HE2 LYS 87 60.986 6.830 -10.452 635 2HE LYS 87 HE1 LYS 87 62.218 7.864 -9.731 636 1HZ LYS 87 HZ3 LYS 87 63.482 7.701 -11.803 637 2HZ LYS 87 HZ2 LYS 87 62.240 6.771 -12.492 638 3HZ LYS 87 HZ1 LYS 87 61.952 8.388 -12.052 639 H GLU 88 HN GLU 88 64.406 1.043 -12.306 640 HA GLU 88 HA GLU 88 65.249 0.192 -14.327 641 1HB GLU 88 HB2 GLU 88 62.309 -0.113 -14.998 642 2HB GLU 88 HB1 GLU 88 63.652 -1.062 -15.638 643 1HG GLU 88 HG2 GLU 88 63.652 -2.433 -13.846 644 2HG GLU 88 HG1 GLU 88 63.616 -1.073 -12.723 645 H ASP 89 HN ASP 89 65.891 2.499 -14.818 646 HA ASP 89 HA ASP 89 64.332 3.542 -17.151 647 1HB ASP 89 HB2 ASP 89 65.564 5.745 -16.510 648 2HB ASP 89 HB1 ASP 89 64.193 5.239 -15.522 649 H ALA 90 HN ALA 90 65.708 1.970 -18.393 650 HA ALA 90 HA ALA 90 68.042 3.336 -19.471 651 1HB ALA 90 HB2 ALA 90 68.724 1.983 -17.295 652 2HB ALA 90 HB1 ALA 90 68.670 0.609 -18.400 653 3HB ALA 90 HB3 ALA 90 69.756 1.959 -18.725 No H/Q in entry = 653 Start of MODEL 27 1 1H ALA 1 HT2 ALA 1 67.174 14.057 13.747 2 2H ALA 1 HT1 ALA 1 66.020 13.971 14.991 3 3H ALA 1 HT3 ALA 1 65.518 14.118 13.378 4 HA ALA 1 HA ALA 1 65.285 16.236 14.454 5 1HB ALA 1 HB2 ALA 1 67.279 15.520 16.056 6 2HB ALA 1 HB1 ALA 1 68.249 16.380 14.860 7 3HB ALA 1 HB3 ALA 1 66.961 17.222 15.720 8 H SER 2 HN SER 2 66.574 14.751 11.924 9 HA SER 2 HA SER 2 66.650 17.155 10.301 10 1HB SER 2 HB2 SER 2 69.247 15.654 10.263 11 2HB SER 2 HB1 SER 2 68.915 17.320 9.796 12 HG SER 2 HG SER 2 70.006 16.762 11.941 13 H MET 3 HN MET 3 65.633 16.440 8.494 14 HA MET 3 HA MET 3 65.743 13.585 7.780 15 1HB MET 3 HB2 MET 3 64.335 15.800 6.273 16 2HB MET 3 HB1 MET 3 63.980 14.073 6.239 17 1HG MET 3 HG2 MET 3 63.884 15.420 8.894 18 2HG MET 3 HG1 MET 3 62.580 15.781 7.763 19 1HE MET 3 HE2 MET 3 61.289 14.753 9.984 20 2HE MET 3 HE1 MET 3 60.523 14.719 8.398 21 3HE MET 3 HE3 MET 3 60.422 13.310 9.464 22 H THR 4 HN THR 4 67.422 12.893 6.548 23 HA THR 4 HA THR 4 69.202 14.592 5.119 24 HB THR 4 HB THR 4 69.720 12.360 3.859 25 HG1 THR 4 HG1 THR 4 68.830 10.573 4.812 26 1HG2 THR 4 HG21 THR 4 70.606 13.468 6.198 27 2HG2 THR 4 HG23 THR 4 70.074 11.878 6.746 28 3HG2 THR 4 HG22 THR 4 71.284 12.011 5.469 29 H ASP 5 HN ASP 5 69.332 15.092 2.885 30 HA ASP 5 HA ASP 5 66.889 15.592 1.531 31 1HB ASP 5 HB2 ASP 5 69.703 15.317 0.434 32 2HB ASP 5 HB1 ASP 5 68.337 15.957 -0.482 33 H GLN 6 HN GLN 6 69.188 12.892 1.232 34 HA GLN 6 HA GLN 6 68.017 11.585 -0.985 35 1HB GLN 6 HB2 GLN 6 69.433 10.488 1.455 36 2HB GLN 6 HB1 GLN 6 68.940 9.472 0.101 37 1HG GLN 6 HG2 GLN 6 70.192 11.250 -1.355 38 2HG GLN 6 HG1 GLN 6 70.987 11.674 0.161 39 1HE2 GLN 6 HE22 GLN 6 71.663 7.933 -1.424 40 2HE2 GLN 6 HE21 GLN 6 70.223 8.745 -1.811 41 H GLN 7 HN GLN 7 67.215 11.332 2.480 42 HA GLN 7 HA GLN 7 65.048 9.441 1.977 43 1HB GLN 7 HB2 GLN 7 65.629 11.115 4.442 44 2HB GLN 7 HB1 GLN 7 64.548 9.723 4.360 45 1HG GLN 7 HG2 GLN 7 66.393 8.241 3.844 46 2HG GLN 7 HG1 GLN 7 67.503 9.604 3.701 47 1HE2 GLN 7 HE22 GLN 7 68.133 8.427 7.101 48 2HE2 GLN 7 HE21 GLN 7 68.525 8.018 5.501 49 H ALA 8 HN ALA 8 65.423 12.849 1.817 50 HA ALA 8 HA ALA 8 62.694 13.588 2.432 51 1HB ALA 8 HB3 ALA 8 65.096 14.913 1.310 52 2HB ALA 8 HB2 ALA 8 63.548 15.591 0.804 53 3HB ALA 8 HB1 ALA 8 63.950 15.494 2.518 54 H GLU 9 HN GLU 9 64.447 13.217 -0.673 55 HA GLU 9 HA GLU 9 61.969 13.445 -2.201 56 1HB GLU 9 HB2 GLU 9 64.757 13.537 -2.761 57 2HB GLU 9 HB1 GLU 9 64.077 12.224 -3.722 58 1HG GLU 9 HG2 GLU 9 62.335 13.747 -4.579 59 2HG GLU 9 HG1 GLU 9 63.018 15.063 -3.625 60 H ALA 10 HN ALA 10 63.816 10.864 -0.763 61 HA ALA 10 HA ALA 10 62.875 8.691 -2.362 62 1HB ALA 10 HB1 ALA 10 63.745 8.828 0.536 63 2HB ALA 10 HB3 ALA 10 63.365 7.315 -0.289 64 3HB ALA 10 HB2 ALA 10 64.709 8.311 -0.848 65 H ARG 11 HN ARG 11 61.612 10.038 0.702 66 HA ARG 11 HA ARG 11 59.321 8.287 0.773 67 1HB ARG 11 HB2 ARG 11 60.479 10.115 2.510 68 2HB ARG 11 HB1 ARG 11 58.950 10.883 2.075 69 1HG ARG 11 HG2 ARG 11 57.972 9.528 3.594 70 2HG ARG 11 HG1 ARG 11 58.275 8.204 2.469 71 1HD ARG 11 HD2 ARG 11 59.816 7.308 3.844 72 2HD ARG 11 HD1 ARG 11 60.682 8.841 3.948 73 HE ARG 11 HE ARG 11 58.827 7.799 5.926 74 1HH1 ARG 11 HH11 ARG 11 61.237 9.951 5.666 75 2HH1 ARG 11 HH12 ARG 11 60.464 11.268 6.484 76 1HH2 ARG 11 HH21 ARG 11 57.328 9.787 6.459 77 2HH2 ARG 11 HH22 ARG 11 58.249 11.174 6.933 78 H ALA 12 HN ALA 12 59.993 11.330 -0.812 79 HA ALA 12 HA ALA 12 57.238 12.064 -1.291 80 1HB ALA 12 HB2 ALA 12 59.826 13.148 -1.846 81 2HB ALA 12 HB1 ALA 12 58.924 13.082 -3.360 82 3HB ALA 12 HB3 ALA 12 58.258 13.947 -1.975 83 H PHE 13 HN PHE 13 59.637 10.172 -3.089 84 HA PHE 13 HA PHE 13 57.763 9.805 -5.337 85 1HB PHE 13 HB2 PHE 13 60.139 10.023 -5.857 86 2HB PHE 13 HB1 PHE 13 60.522 8.665 -4.800 87 HD1 PHE 13 HD2 PHE 13 59.788 6.363 -5.389 88 HD2 PHE 13 HD1 PHE 13 59.207 9.682 -8.054 89 HE1 PHE 13 HE2 PHE 13 59.368 4.789 -7.257 90 HE2 PHE 13 HE1 PHE 13 58.787 8.107 -9.922 91 HZ PHE 13 HZ PHE 13 58.867 5.660 -9.524 92 H LEU 14 HN LEU 14 58.651 8.202 -2.404 93 HA LEU 14 HA LEU 14 57.502 5.629 -3.322 94 1HB LEU 14 HB2 LEU 14 58.729 6.422 -0.663 95 2HB LEU 14 HB1 LEU 14 58.220 4.793 -1.106 96 HG LEU 14 HG LEU 14 60.305 6.413 -2.597 97 1HD1 LEU 14 HD11 LEU 14 60.448 4.472 -0.339 98 2HD1 LEU 14 HD13 LEU 14 61.663 4.317 -1.608 99 3HD1 LEU 14 HD12 LEU 14 61.504 5.832 -0.721 100 1HD2 LEU 14 HD21 LEU 14 59.184 3.620 -2.891 101 2HD2 LEU 14 HD23 LEU 14 59.303 4.883 -4.118 102 3HD2 LEU 14 HD22 LEU 14 60.759 4.065 -3.552 103 H SER 15 HN SER 15 55.376 5.206 -3.003 104 HA SER 15 HA SER 15 53.789 7.034 -1.318 105 1HB SER 15 HB2 SER 15 53.208 4.989 -3.410 106 2HB SER 15 HB1 SER 15 51.960 5.282 -2.204 107 HG SER 15 HG SER 15 52.251 7.560 -2.719 108 H GLU 16 HN GLU 16 52.376 6.210 0.381 109 HA GLU 16 HA GLU 16 53.652 4.414 2.180 110 1HB GLU 16 HB2 GLU 16 51.595 4.516 3.478 111 2HB GLU 16 HB1 GLU 16 51.927 6.118 2.817 112 1HG GLU 16 HG2 GLU 16 50.290 5.858 1.100 113 2HG GLU 16 HG1 GLU 16 50.133 4.128 1.416 114 H GLU 17 HN GLU 17 51.787 3.779 -0.620 115 HA GLU 17 HA GLU 17 50.645 1.251 0.165 116 1HB GLU 17 HB2 GLU 17 49.959 2.643 -1.842 117 2HB GLU 17 HB1 GLU 17 51.434 2.090 -2.637 118 1HG GLU 17 HG2 GLU 17 50.658 -0.289 -2.126 119 2HG GLU 17 HG1 GLU 17 49.099 0.414 -1.694 120 H MET 18 HN MET 18 53.381 1.853 -2.076 121 HA MET 18 HA MET 18 54.333 -0.857 -1.891 122 1HB MET 18 HB2 MET 18 55.928 1.596 -2.684 123 2HB MET 18 HB1 MET 18 56.249 -0.076 -3.142 124 1HG MET 18 HG2 MET 18 53.606 0.330 -3.926 125 2HG MET 18 HG1 MET 18 54.407 1.846 -4.338 126 1HE MET 18 HE1 MET 18 55.842 2.334 -5.776 127 2HE MET 18 HE3 MET 18 56.653 1.371 -7.017 128 3HE MET 18 HE2 MET 18 54.940 1.746 -7.170 129 H ILE 19 HN ILE 19 55.379 2.183 -0.343 130 HA ILE 19 HA ILE 19 57.628 1.315 1.045 131 HB ILE 19 HB ILE 19 55.399 3.158 1.941 132 1HG1 ILE 19 HG12 ILE 19 58.189 3.570 0.820 133 2HG1 ILE 19 HG11 ILE 19 56.661 3.974 0.037 134 1HG2 ILE 19 HG23 ILE 19 57.569 2.003 3.479 135 2HG2 ILE 19 HG22 ILE 19 57.766 3.751 3.347 136 3HG2 ILE 19 HG21 ILE 19 56.279 3.079 4.015 137 1HD1 ILE 19 HD13 ILE 19 56.631 5.230 2.582 138 2HD1 ILE 19 HD12 ILE 19 58.209 5.564 1.866 139 3HD1 ILE 19 HD11 ILE 19 56.736 6.005 1.002 140 H ALA 20 HN ALA 20 54.261 0.517 1.668 141 HA ALA 20 HA ALA 20 54.644 -0.582 4.299 142 1HB ALA 20 HB2 ALA 20 52.526 -0.610 2.232 143 2HB ALA 20 HB1 ALA 20 52.535 -2.003 3.314 144 3HB ALA 20 HB3 ALA 20 52.394 -0.375 3.976 145 H GLU 21 HN GLU 21 54.623 -2.061 1.051 146 HA GLU 21 HA GLU 21 55.013 -4.749 1.867 147 1HB GLU 21 HB2 GLU 21 56.305 -3.567 -0.595 148 2HB GLU 21 HB1 GLU 21 55.654 -5.192 -0.373 149 1HG GLU 21 HG2 GLU 21 53.536 -3.388 0.179 150 2HG GLU 21 HG1 GLU 21 54.299 -2.834 -1.312 151 H PHE 22 HN PHE 22 57.447 -2.263 1.034 152 HA PHE 22 HA PHE 22 59.760 -3.814 1.453 153 1HB PHE 22 HB2 PHE 22 59.507 -0.916 2.288 154 2HB PHE 22 HB1 PHE 22 60.947 -1.752 1.706 155 HD1 PHE 22 HD1 PHE 22 59.555 -3.334 -0.524 156 HD2 PHE 22 HD2 PHE 22 59.408 0.809 0.606 157 HE1 PHE 22 HE1 PHE 22 58.972 -2.719 -2.854 158 HE2 PHE 22 HE2 PHE 22 58.825 1.424 -1.724 159 HZ PHE 22 HZ PHE 22 58.607 -0.340 -3.455 160 H LYS 23 HN LYS 23 57.609 -2.296 3.798 161 HA LYS 23 HA LYS 23 59.274 -2.493 6.096 162 1HB LYS 23 HB2 LYS 23 56.665 -1.683 5.585 163 2HB LYS 23 HB1 LYS 23 56.462 -3.084 6.637 164 1HG LYS 23 HG2 LYS 23 58.576 -1.129 7.395 165 2HG LYS 23 HG1 LYS 23 56.902 -0.621 7.614 166 1HD LYS 23 HD2 LYS 23 56.434 -2.399 9.100 167 2HD LYS 23 HD1 LYS 23 57.864 -3.304 8.603 168 1HE LYS 23 HE2 LYS 23 58.132 -2.201 10.834 169 2HE LYS 23 HE1 LYS 23 59.324 -1.665 9.652 170 1HZ LYS 23 HZ3 LYS 23 56.811 -0.178 9.849 171 2HZ LYS 23 HZ2 LYS 23 57.961 0.037 11.081 172 3HZ LYS 23 HZ1 LYS 23 58.369 0.376 9.467 173 H ALA 24 HN ALA 24 56.962 -4.836 4.722 174 HA ALA 24 HA ALA 24 57.264 -6.847 6.700 175 1HB ALA 24 HB1 ALA 24 56.253 -6.678 3.950 176 2HB ALA 24 HB3 ALA 24 56.910 -8.263 4.357 177 3HB ALA 24 HB2 ALA 24 55.611 -7.569 5.328 178 H ALA 25 HN ALA 25 59.368 -5.879 4.082 179 HA ALA 25 HA ALA 25 60.978 -8.313 4.152 180 1HB ALA 25 HB2 ALA 25 60.831 -5.921 2.547 181 2HB ALA 25 HB1 ALA 25 62.495 -6.178 3.070 182 3HB ALA 25 HB3 ALA 25 61.645 -7.444 2.185 183 H PHE 26 HN PHE 26 61.599 -4.931 5.151 184 HA PHE 26 HA PHE 26 64.070 -5.280 6.395 185 1HB PHE 26 HB2 PHE 26 62.694 -3.128 6.108 186 2HB PHE 26 HB1 PHE 26 61.886 -3.579 7.608 187 HD1 PHE 26 HD1 PHE 26 65.280 -3.042 6.131 188 HD2 PHE 26 HD2 PHE 26 62.868 -3.074 9.685 189 HE1 PHE 26 HE1 PHE 26 67.182 -2.122 7.431 190 HE2 PHE 26 HE2 PHE 26 64.771 -2.156 10.985 191 HZ PHE 26 HZ PHE 26 66.928 -1.679 9.857 192 H ASP 27 HN ASP 27 60.887 -5.530 8.027 193 HA ASP 27 HA ASP 27 61.685 -6.257 10.571 194 1HB ASP 27 HB2 ASP 27 59.408 -7.354 8.906 195 2HB ASP 27 HB1 ASP 27 59.611 -7.735 10.617 196 H MET 28 HN MET 28 61.661 -8.349 7.701 197 HA MET 28 HA MET 28 62.428 -10.712 9.214 198 1HB MET 28 HB2 MET 28 61.299 -11.322 7.287 199 2HB MET 28 HB1 MET 28 61.984 -10.003 6.343 200 1HG MET 28 HG2 MET 28 64.028 -11.138 6.026 201 2HG MET 28 HG1 MET 28 63.692 -12.284 7.323 202 1HE MET 28 HE2 MET 28 62.650 -10.781 4.102 203 2HE MET 28 HE1 MET 28 63.779 -11.987 3.489 204 3HE MET 28 HE3 MET 28 62.062 -12.094 3.085 205 H PHE 29 HN PHE 29 64.108 -8.241 7.308 206 HA PHE 29 HA PHE 29 66.677 -9.629 7.526 207 1HB PHE 29 HB2 PHE 29 65.802 -6.953 6.442 208 2HB PHE 29 HB1 PHE 29 67.511 -7.356 6.616 209 HD1 PHE 29 HD2 PHE 29 64.323 -8.769 5.250 210 HD2 PHE 29 HD1 PHE 29 68.595 -8.520 4.895 211 HE1 PHE 29 HE2 PHE 29 64.228 -10.103 3.160 212 HE2 PHE 29 HE1 PHE 29 68.501 -9.852 2.809 213 HZ PHE 29 HZ PHE 29 66.319 -10.644 1.940 214 H ASP 30 HN ASP 30 64.868 -8.190 9.790 215 HA ASP 30 HA ASP 30 67.239 -6.991 11.167 216 1HB ASP 30 HB2 ASP 30 64.569 -5.977 10.745 217 2HB ASP 30 HB1 ASP 30 64.869 -6.162 12.473 218 H ALA 31 HN ALA 31 66.817 -9.763 11.240 219 HA ALA 31 HA ALA 31 65.239 -10.641 13.463 220 1HB ALA 31 HB3 ALA 31 67.584 -11.799 11.968 221 2HB ALA 31 HB2 ALA 31 66.959 -12.600 13.409 222 3HB ALA 31 HB1 ALA 31 65.912 -12.361 12.010 223 H ASP 32 HN ASP 32 68.271 -8.995 13.288 224 HA ASP 32 HA ASP 32 69.345 -9.878 15.822 225 1HB ASP 32 HB2 ASP 32 69.848 -7.428 14.114 226 2HB ASP 32 HB1 ASP 32 70.714 -7.738 15.620 227 H GLY 33 HN GLY 33 66.999 -7.466 14.865 228 1HA GLY 33 HA2 GLY 33 65.457 -6.332 16.254 229 2HA GLY 33 HA1 GLY 33 66.221 -7.087 17.655 230 H GLY 34 HN GLY 34 68.555 -5.689 15.669 231 1HA GLY 34 HA2 GLY 34 69.004 -3.548 17.627 232 2HA GLY 34 HA1 GLY 34 70.055 -3.948 16.269 233 H GLY 35 HN GLY 35 67.429 -3.902 14.592 234 1HA GLY 35 HA2 GLY 35 66.032 -2.219 13.611 235 2HA GLY 35 HA1 GLY 35 66.885 -0.997 14.555 236 H ASP 36 HN ASP 36 68.681 -3.402 12.760 237 HA ASP 36 HA ASP 36 69.017 -1.762 10.381 238 1HB ASP 36 HB2 ASP 36 71.592 -1.579 10.942 239 2HB ASP 36 HB1 ASP 36 70.468 -0.362 11.548 240 H ILE 37 HN ILE 37 70.448 -2.818 8.820 241 HA ILE 37 HA ILE 37 71.246 -5.590 9.572 242 HB ILE 37 HB ILE 37 69.833 -6.571 8.095 243 1HG1 ILE 37 HG12 ILE 37 70.704 -4.408 6.155 244 2HG1 ILE 37 HG11 ILE 37 71.202 -6.099 6.174 245 1HG2 ILE 37 HG22 ILE 37 68.372 -4.738 9.054 246 2HG2 ILE 37 HG21 ILE 37 68.676 -3.825 7.575 247 3HG2 ILE 37 HG23 ILE 37 67.840 -5.376 7.498 248 1HD1 ILE 37 HD11 ILE 37 68.357 -5.167 5.702 249 2HD1 ILE 37 HD13 ILE 37 69.486 -5.603 4.420 250 3HD1 ILE 37 HD12 ILE 37 68.957 -6.820 5.580 251 H SER 38 HN SER 38 73.157 -6.305 8.524 252 HA SER 38 HA SER 38 75.079 -4.427 7.728 253 1HB SER 38 HB2 SER 38 76.390 -6.238 7.165 254 2HB SER 38 HB1 SER 38 75.126 -7.113 8.027 255 HG SER 38 HG SER 38 74.933 -8.115 6.183 256 H THR 39 HN THR 39 75.448 -3.312 5.787 257 HA THR 39 HA THR 39 73.263 -3.125 3.953 258 HB THR 39 HB THR 39 74.483 -1.490 2.828 259 HG1 THR 39 HG1 THR 39 76.806 -2.831 3.758 260 1HG2 THR 39 HG22 THR 39 74.671 -1.599 5.658 261 2HG2 THR 39 HG21 THR 39 76.212 -0.979 5.066 262 3HG2 THR 39 HG23 THR 39 74.708 -0.168 4.629 263 H LYS 40 HN LYS 40 75.777 -5.403 4.181 264 HA LYS 40 HA LYS 40 75.997 -6.005 1.338 265 1HB LYS 40 HB2 LYS 40 76.699 -7.782 3.693 266 2HB LYS 40 HB1 LYS 40 77.306 -7.919 2.042 267 1HG LYS 40 HG2 LYS 40 77.728 -5.248 3.138 268 2HG LYS 40 HG1 LYS 40 78.506 -6.493 4.115 269 1HD LYS 40 HD2 LYS 40 79.323 -7.426 1.808 270 2HD LYS 40 HD1 LYS 40 78.966 -5.800 1.225 271 1HE LYS 40 HE2 LYS 40 81.349 -6.135 2.016 272 2HE LYS 40 HE1 LYS 40 80.490 -4.813 2.807 273 1HZ LYS 40 HZ1 LYS 40 80.309 -7.462 4.024 274 2HZ LYS 40 HZ3 LYS 40 81.788 -6.643 4.167 275 3HZ LYS 40 HZ2 LYS 40 80.363 -5.930 4.757 276 H ALA 41 HN ALA 41 73.673 -6.687 3.750 277 HA ALA 41 HA ALA 41 72.755 -9.188 2.490 278 1HB ALA 41 HB1 ALA 41 72.687 -8.643 5.018 279 2HB ALA 41 HB3 ALA 41 71.284 -7.646 4.628 280 3HB ALA 41 HB2 ALA 41 71.251 -9.380 4.305 281 H LEU 42 HN LEU 42 72.464 -6.020 1.659 282 HA LEU 42 HA LEU 42 69.655 -5.731 1.182 283 1HB LEU 42 HB2 LEU 42 72.128 -4.430 0.090 284 2HB LEU 42 HB1 LEU 42 70.600 -4.165 -0.743 285 HG LEU 42 HG LEU 42 70.758 -2.382 0.815 286 1HD1 LEU 42 HD12 LEU 42 68.603 -3.815 0.859 287 2HD1 LEU 42 HD11 LEU 42 69.187 -4.388 2.422 288 3HD1 LEU 42 HD13 LEU 42 68.862 -2.671 2.177 289 1HD2 LEU 42 HD23 LEU 42 72.169 -4.379 2.390 290 2HD2 LEU 42 HD22 LEU 42 72.254 -2.622 2.475 291 3HD2 LEU 42 HD21 LEU 42 71.000 -3.489 3.363 292 H GLY 43 HN GLY 43 72.285 -6.734 -1.031 293 1HA GLY 43 HA2 GLY 43 70.847 -7.246 -3.341 294 2HA GLY 43 HA1 GLY 43 72.175 -8.283 -2.813 295 H THR 44 HN THR 44 70.716 -8.992 -0.315 296 HA THR 44 HA THR 44 69.277 -11.290 -1.366 297 HB THR 44 HB THR 44 69.697 -10.200 1.426 298 HG1 THR 44 HG1 THR 44 71.345 -11.338 -0.003 299 1HG2 THR 44 HG22 THR 44 67.644 -11.950 0.561 300 2HG2 THR 44 HG21 THR 44 68.850 -12.950 1.367 301 3HG2 THR 44 HG23 THR 44 68.122 -11.590 2.221 302 H VAL 45 HN VAL 45 68.347 -8.345 0.423 303 HA VAL 45 HA VAL 45 65.552 -8.912 0.539 304 HB VAL 45 HB VAL 45 66.806 -6.160 0.304 305 1HG1 VAL 45 HG11 VAL 45 64.183 -6.817 0.336 306 2HG1 VAL 45 HG13 VAL 45 64.495 -6.765 2.072 307 3HG1 VAL 45 HG12 VAL 45 64.810 -5.343 1.076 308 1HG2 VAL 45 HG21 VAL 45 67.872 -7.668 2.063 309 2HG2 VAL 45 HG23 VAL 45 67.141 -6.188 2.682 310 3HG2 VAL 45 HG22 VAL 45 66.294 -7.725 2.847 311 H MET 46 HN MET 46 67.205 -6.619 -1.659 312 HA MET 46 HA MET 46 65.107 -6.103 -3.409 313 1HB MET 46 HB2 MET 46 68.018 -5.983 -3.539 314 2HB MET 46 HB1 MET 46 67.308 -6.363 -5.109 315 1HG MET 46 HG2 MET 46 65.624 -4.393 -4.210 316 2HG MET 46 HG1 MET 46 67.170 -3.871 -3.541 317 1HE MET 46 HE3 MET 46 67.768 -2.137 -4.387 318 2HE MET 46 HE2 MET 46 68.466 -1.839 -5.977 319 3HE MET 46 HE1 MET 46 66.753 -1.535 -5.704 320 H ARG 47 HN ARG 47 67.294 -8.913 -3.462 321 HA ARG 47 HA ARG 47 66.569 -10.134 -5.845 322 1HB ARG 47 HB2 ARG 47 67.604 -11.019 -3.275 323 2HB ARG 47 HB1 ARG 47 66.555 -12.240 -3.995 324 1HG ARG 47 HG2 ARG 47 67.863 -12.356 -5.976 325 2HG ARG 47 HG1 ARG 47 68.714 -10.858 -5.592 326 1HD ARG 47 HD2 ARG 47 69.674 -12.009 -3.567 327 2HD ARG 47 HD1 ARG 47 68.956 -13.512 -4.147 328 HE ARG 47 HE ARG 47 70.524 -12.366 -6.244 329 1HH1 ARG 47 HH11 ARG 47 70.464 -14.580 -3.675 330 2HH1 ARG 47 HH12 ARG 47 72.156 -14.950 -3.743 331 1HH2 ARG 47 HH21 ARG 47 72.858 -12.526 -6.121 332 2HH2 ARG 47 HH22 ARG 47 73.510 -13.786 -5.129 333 H MET 48 HN MET 48 64.819 -10.488 -2.739 334 HA MET 48 HA MET 48 62.663 -11.988 -3.955 335 1HB MET 48 HB2 MET 48 61.478 -11.447 -1.759 336 2HB MET 48 HB1 MET 48 62.995 -12.333 -1.622 337 1HG MET 48 HG2 MET 48 64.196 -10.327 -1.028 338 2HG MET 48 HG1 MET 48 62.793 -9.319 -1.387 339 1HE MET 48 HE2 MET 48 63.774 -12.465 0.086 340 2HE MET 48 HE1 MET 48 64.228 -11.868 1.680 341 3HE MET 48 HE3 MET 48 62.717 -12.762 1.463 342 H LEU 49 HN LEU 49 63.079 -8.556 -3.071 343 HA LEU 49 HA LEU 49 60.467 -7.639 -3.514 344 1HB LEU 49 HB2 LEU 49 62.904 -6.155 -4.518 345 2HB LEU 49 HB1 LEU 49 61.394 -5.474 -3.915 346 HG LEU 49 HG LEU 49 63.575 -6.854 -2.349 347 1HD1 LEU 49 HD13 LEU 49 62.208 -4.160 -2.270 348 2HD1 LEU 49 HD12 LEU 49 63.211 -4.750 -0.945 349 3HD1 LEU 49 HD11 LEU 49 63.917 -4.502 -2.543 350 1HD2 LEU 49 HD23 LEU 49 61.316 -7.769 -1.721 351 2HD2 LEU 49 HD22 LEU 49 62.102 -6.882 -0.416 352 3HD2 LEU 49 HD21 LEU 49 60.808 -6.122 -1.342 353 H GLY 50 HN GLY 50 62.795 -8.815 -5.826 354 1HA GLY 50 HA2 GLY 50 61.773 -9.670 -7.956 355 2HA GLY 50 HA1 GLY 50 60.853 -8.166 -8.011 356 H GLN 51 HN GLN 51 63.876 -7.450 -6.815 357 HA GLN 51 HA GLN 51 64.859 -6.737 -9.551 358 1HB GLN 51 HB2 GLN 51 65.209 -5.292 -6.908 359 2HB GLN 51 HB1 GLN 51 66.050 -4.848 -8.393 360 1HG GLN 51 HG2 GLN 51 63.416 -5.035 -9.217 361 2HG GLN 51 HG1 GLN 51 63.272 -4.340 -7.602 362 1HE2 GLN 51 HE22 GLN 51 64.837 -1.264 -8.492 363 2HE2 GLN 51 HE21 GLN 51 64.371 -2.261 -7.199 364 H ASN 52 HN ASN 52 66.601 -7.955 -10.095 365 HA ASN 52 HA ASN 52 68.423 -8.844 -7.893 366 1HB ASN 52 HB2 ASN 52 69.033 -10.723 -9.414 367 2HB ASN 52 HB1 ASN 52 67.321 -10.733 -8.988 368 1HD2 ASN 52 HD22 ASN 52 66.256 -9.740 -12.289 369 2HD2 ASN 52 HD21 ASN 52 65.837 -9.604 -10.648 370 HA PRO 53 HA PRO 53 70.885 -6.020 -10.537 371 1HB PRO 53 HB2 PRO 53 72.039 -4.710 -8.414 372 2HB PRO 53 HB1 PRO 53 70.495 -4.229 -9.138 373 1HG PRO 53 HG2 PRO 53 71.001 -5.623 -6.550 374 2HG PRO 53 HG1 PRO 53 69.639 -4.593 -7.022 375 1HD PRO 53 HD2 PRO 53 69.616 -7.422 -6.916 376 2HD PRO 53 HD1 PRO 53 68.393 -6.396 -7.695 377 H THR 54 HN THR 54 73.421 -5.561 -10.114 378 HA THR 54 HA THR 54 74.614 -8.224 -9.604 379 HB THR 54 HB THR 54 76.472 -7.490 -10.846 380 HG1 THR 54 HG1 THR 54 77.235 -5.605 -10.413 381 1HG2 THR 54 HG23 THR 54 74.424 -7.609 -12.231 382 2HG2 THR 54 HG22 THR 54 74.125 -5.898 -11.919 383 3HG2 THR 54 HG21 THR 54 75.546 -6.391 -12.840 384 H LYS 55 HN LYS 55 76.282 -8.539 -8.061 385 HA LYS 55 HA LYS 55 76.040 -7.212 -5.589 386 1HB LYS 55 HB2 LYS 55 77.745 -9.230 -6.737 387 2HB LYS 55 HB1 LYS 55 78.720 -8.115 -5.777 388 1HG LYS 55 HG2 LYS 55 78.004 -9.200 -3.938 389 2HG LYS 55 HG1 LYS 55 76.398 -8.547 -4.258 390 1HD LYS 55 HD2 LYS 55 75.885 -10.488 -5.690 391 2HD LYS 55 HD1 LYS 55 77.493 -11.146 -5.375 392 1HE LYS 55 HE2 LYS 55 76.488 -12.230 -3.651 393 2HE LYS 55 HE1 LYS 55 76.577 -10.672 -2.830 394 1HZ LYS 55 HZ3 LYS 55 74.335 -10.799 -4.574 395 2HZ LYS 55 HZ2 LYS 55 74.299 -12.071 -3.448 396 3HZ LYS 55 HZ1 LYS 55 74.386 -10.460 -2.913 397 H GLU 56 HN GLU 56 78.563 -6.720 -8.086 398 HA GLU 56 HA GLU 56 79.967 -4.646 -6.790 399 1HB GLU 56 HB2 GLU 56 79.949 -5.823 -9.365 400 2HB GLU 56 HB1 GLU 56 79.784 -4.085 -9.613 401 1HG GLU 56 HG2 GLU 56 81.849 -5.231 -7.729 402 2HG GLU 56 HG1 GLU 56 82.180 -5.007 -9.447 403 H GLU 57 HN GLU 57 76.950 -4.537 -8.622 404 HA GLU 57 HA GLU 57 76.811 -1.657 -8.777 405 1HB GLU 57 HB2 GLU 57 74.672 -3.796 -8.943 406 2HB GLU 57 HB1 GLU 57 74.371 -2.084 -9.241 407 1HG GLU 57 HG2 GLU 57 76.654 -3.317 -10.701 408 2HG GLU 57 HG1 GLU 57 75.033 -3.787 -11.214 409 H LEU 58 HN LEU 58 75.723 -4.047 -6.407 410 HA LEU 58 HA LEU 58 74.169 -2.173 -4.847 411 1HB LEU 58 HB2 LEU 58 74.005 -4.722 -4.785 412 2HB LEU 58 HB1 LEU 58 75.475 -4.695 -3.808 413 HG LEU 58 HG LEU 58 73.750 -2.746 -2.700 414 1HD1 LEU 58 HD12 LEU 58 72.088 -4.303 -4.096 415 2HD1 LEU 58 HD11 LEU 58 72.266 -5.338 -2.678 416 3HD1 LEU 58 HD13 LEU 58 71.655 -3.693 -2.499 417 1HD2 LEU 58 HD23 LEU 58 75.444 -4.249 -1.582 418 2HD2 LEU 58 HD22 LEU 58 73.898 -4.156 -0.738 419 3HD2 LEU 58 HD21 LEU 58 74.281 -5.567 -1.723 420 H ASP 59 HN ASP 59 77.542 -3.252 -4.763 421 HA ASP 59 HA ASP 59 78.264 -2.092 -2.266 422 1HB ASP 59 HB2 ASP 59 79.888 -2.532 -4.788 423 2HB ASP 59 HB1 ASP 59 80.585 -2.035 -3.246 424 H ALA 60 HN ALA 60 78.371 -0.709 -5.560 425 HA ALA 60 HA ALA 60 79.371 1.851 -4.724 426 1HB ALA 60 HB2 ALA 60 79.257 0.833 -7.108 427 2HB ALA 60 HB1 ALA 60 77.604 1.444 -7.135 428 3HB ALA 60 HB3 ALA 60 78.954 2.561 -6.937 429 H ILE 61 HN ILE 61 76.132 0.482 -4.956 430 HA ILE 61 HA ILE 61 74.702 2.963 -4.675 431 HB ILE 61 HB ILE 61 73.976 0.085 -4.085 432 1HG1 ILE 61 HG12 ILE 61 73.205 2.071 -6.248 433 2HG1 ILE 61 HG11 ILE 61 74.220 0.642 -6.449 434 1HG2 ILE 61 HG22 ILE 61 72.665 2.529 -3.217 435 2HG2 ILE 61 HG21 ILE 61 71.626 1.601 -4.299 436 3HG2 ILE 61 HG23 ILE 61 72.266 0.854 -2.835 437 1HD1 ILE 61 HD12 ILE 61 71.424 0.375 -5.364 438 2HD1 ILE 61 HD11 ILE 61 71.699 0.481 -7.104 439 3HD1 ILE 61 HD13 ILE 61 72.416 -0.836 -6.175 440 H ILE 62 HN ILE 62 76.001 0.628 -2.349 441 HA ILE 62 HA ILE 62 74.804 1.751 -0.007 442 HB ILE 62 HB ILE 62 77.464 0.314 -0.280 443 1HG1 ILE 62 HG12 ILE 62 74.877 -0.944 0.599 444 2HG1 ILE 62 HG11 ILE 62 75.216 -0.765 -1.122 445 1HG2 ILE 62 HG21 ILE 62 75.620 0.715 2.096 446 2HG2 ILE 62 HG23 ILE 62 77.089 -0.262 2.094 447 3HG2 ILE 62 HG22 ILE 62 77.191 1.483 1.872 448 1HD1 ILE 62 HD13 ILE 62 77.586 -1.758 0.094 449 2HD1 ILE 62 HD12 ILE 62 76.245 -2.729 0.702 450 3HD1 ILE 62 HD11 ILE 62 76.520 -2.594 -1.035 451 H GLU 63 HN GLU 63 77.438 2.803 -2.004 452 HA GLU 63 HA GLU 63 78.836 4.390 -0.061 453 1HB GLU 63 HB2 GLU 63 79.205 3.746 -2.731 454 2HB GLU 63 HB1 GLU 63 78.846 5.473 -2.785 455 1HG GLU 63 HG2 GLU 63 80.546 5.503 -0.719 456 2HG GLU 63 HG1 GLU 63 81.150 4.053 -1.524 457 H GLU 64 HN GLU 64 75.957 4.962 -1.996 458 HA GLU 64 HA GLU 64 75.907 7.794 -1.091 459 1HB GLU 64 HB2 GLU 64 74.929 6.364 -3.417 460 2HB GLU 64 HB1 GLU 64 73.629 7.276 -2.650 461 1HG GLU 64 HG2 GLU 64 74.542 9.279 -3.206 462 2HG GLU 64 HG1 GLU 64 76.179 8.737 -2.832 463 H VAL 65 HN VAL 65 74.384 4.707 -0.550 464 HA VAL 65 HA VAL 65 72.010 5.791 0.743 465 HB VAL 65 HB VAL 65 73.253 3.024 0.841 466 1HG1 VAL 65 HG11 VAL 65 70.715 4.186 1.973 467 2HG1 VAL 65 HG13 VAL 65 70.790 2.485 1.511 468 3HG1 VAL 65 HG12 VAL 65 71.882 3.113 2.747 469 1HG2 VAL 65 HG23 VAL 65 71.069 4.299 -0.820 470 2HG2 VAL 65 HG22 VAL 65 72.534 3.496 -1.390 471 3HG2 VAL 65 HG21 VAL 65 71.235 2.549 -0.658 472 H ASP 66 HN ASP 66 75.239 4.845 1.760 473 HA ASP 66 HA ASP 66 74.551 5.026 4.612 474 1HB ASP 66 HB2 ASP 66 76.615 3.819 3.121 475 2HB ASP 66 HB1 ASP 66 77.393 5.093 4.061 476 H GLU 67 HN GLU 67 73.733 7.321 4.255 477 HA GLU 67 HA GLU 67 75.438 9.476 3.553 478 1HB GLU 67 HB2 GLU 67 73.871 10.864 4.956 479 2HB GLU 67 HB1 GLU 67 73.052 9.832 3.782 480 1HG GLU 67 HG2 GLU 67 73.207 8.145 5.919 481 2HG GLU 67 HG1 GLU 67 73.041 9.700 6.737 482 H ASP 68 HN ASP 68 75.154 7.637 6.529 483 HA ASP 68 HA ASP 68 77.055 9.496 7.869 484 1HB ASP 68 HB2 ASP 68 76.523 7.900 9.861 485 2HB ASP 68 HB1 ASP 68 75.281 9.040 9.347 486 H GLY 69 HN GLY 69 76.805 6.327 6.455 487 1HA GLY 69 HA2 GLY 69 78.569 4.859 5.888 488 2HA GLY 69 HA1 GLY 69 79.695 5.971 6.667 489 H SER 70 HN SER 70 76.857 4.795 8.347 490 HA SER 70 HA SER 70 78.453 3.800 10.538 491 1HB SER 70 HB2 SER 70 76.115 2.731 11.134 492 2HB SER 70 HB1 SER 70 76.337 4.475 11.233 493 HG SER 70 HG SER 70 74.632 4.388 9.958 494 H GLY 71 HN GLY 71 77.654 2.471 7.524 495 1HA GLY 71 HA2 GLY 71 78.259 0.363 6.650 496 2HA GLY 71 HA1 GLY 71 78.866 -0.081 8.247 497 H THR 72 HN THR 72 75.669 1.175 8.185 498 HA THR 72 HA THR 72 74.468 -1.535 8.019 499 HB THR 72 HB THR 72 73.153 -0.922 10.154 500 HG1 THR 72 HG1 THR 72 73.817 0.747 11.251 501 1HG2 THR 72 HG23 THR 72 75.976 -1.837 9.912 502 2HG2 THR 72 HG22 THR 72 75.389 -1.473 11.534 503 3HG2 THR 72 HG21 THR 72 74.569 -2.687 10.553 504 H ILE 73 HN ILE 73 72.406 -1.472 7.150 505 HA ILE 73 HA ILE 73 71.409 1.212 6.359 506 HB ILE 73 HB ILE 73 70.582 -1.565 5.462 507 1HG1 ILE 73 HG12 ILE 73 72.883 -0.680 4.785 508 2HG1 ILE 73 HG11 ILE 73 71.806 -1.102 3.455 509 1HG2 ILE 73 HG21 ILE 73 69.750 1.185 4.490 510 2HG2 ILE 73 HG23 ILE 73 69.330 -0.336 3.700 511 3HG2 ILE 73 HG22 ILE 73 68.719 0.018 5.316 512 1HD1 ILE 73 HD12 ILE 73 71.498 1.671 4.375 513 2HD1 ILE 73 HD11 ILE 73 73.099 1.316 3.726 514 3HD1 ILE 73 HD13 ILE 73 71.664 1.043 2.735 515 H ASP 74 HN ASP 74 69.425 1.983 7.036 516 HA ASP 74 HA ASP 74 67.949 0.285 9.011 517 1HB ASP 74 HB2 ASP 74 68.015 3.314 8.938 518 2HB ASP 74 HB1 ASP 74 67.369 2.287 10.218 519 H PHE 75 HN PHE 75 65.556 0.915 9.120 520 HA PHE 75 HA PHE 75 64.270 0.552 6.673 521 1HB PHE 75 HB2 PHE 75 63.287 0.545 9.072 522 2HB PHE 75 HB1 PHE 75 63.040 2.273 8.821 523 HD1 PHE 75 HD2 PHE 75 62.735 -0.711 6.571 524 HD2 PHE 75 HD1 PHE 75 60.801 2.701 8.324 525 HE1 PHE 75 HE2 PHE 75 60.690 -1.191 5.250 526 HE2 PHE 75 HE1 PHE 75 58.756 2.220 7.005 527 HZ PHE 75 HZ PHE 75 58.701 0.275 5.467 528 H GLU 76 HN GLU 76 65.031 3.654 8.272 529 HA GLU 76 HA GLU 76 63.835 5.352 6.332 530 1HB GLU 76 HB2 GLU 76 65.297 7.102 7.205 531 2HB GLU 76 HB1 GLU 76 64.712 6.114 8.544 532 1HG GLU 76 HG2 GLU 76 66.864 4.740 8.258 533 2HG GLU 76 HG1 GLU 76 67.439 6.064 7.245 534 H GLU 77 HN GLU 77 67.125 3.984 6.489 535 HA GLU 77 HA GLU 77 67.988 5.268 4.037 536 1HB GLU 77 HB2 GLU 77 69.112 2.795 5.391 537 2HB GLU 77 HB1 GLU 77 69.936 3.802 4.200 538 1HG GLU 77 HG2 GLU 77 69.735 5.742 5.758 539 2HG GLU 77 HG1 GLU 77 69.030 4.664 6.963 540 H PHE 78 HN PHE 78 66.009 2.561 4.731 541 HA PHE 78 HA PHE 78 66.578 0.955 2.410 542 1HB PHE 78 HB2 PHE 78 64.893 0.766 4.638 543 2HB PHE 78 HB1 PHE 78 63.794 0.856 3.261 544 HD1 PHE 78 HD2 PHE 78 64.058 -0.762 1.354 545 HD2 PHE 78 HD1 PHE 78 66.235 -1.166 5.033 546 HE1 PHE 78 HE2 PHE 78 64.574 -3.121 0.788 547 HE2 PHE 78 HE1 PHE 78 66.751 -3.526 4.469 548 HZ PHE 78 HZ PHE 78 65.920 -4.503 2.347 549 H LEU 79 HN LEU 79 63.755 3.060 3.050 550 HA LEU 79 HA LEU 79 62.672 3.145 0.489 551 1HB LEU 79 HB2 LEU 79 62.971 5.576 2.280 552 2HB LEU 79 HB1 LEU 79 61.722 5.303 1.064 553 HG LEU 79 HG LEU 79 62.130 3.729 3.624 554 1HD1 LEU 79 HD13 LEU 79 60.160 5.784 2.665 555 2HD1 LEU 79 HD12 LEU 79 59.650 4.564 3.831 556 3HD1 LEU 79 HD11 LEU 79 60.971 5.664 4.227 557 1HD2 LEU 79 HD21 LEU 79 60.121 3.349 1.380 558 2HD2 LEU 79 HD23 LEU 79 61.449 2.255 1.766 559 3HD2 LEU 79 HD22 LEU 79 60.123 2.469 2.907 560 H VAL 80 HN VAL 80 65.621 4.604 1.650 561 HA VAL 80 HA VAL 80 66.005 6.438 -0.550 562 HB VAL 80 HB VAL 80 67.895 5.195 1.461 563 1HG1 VAL 80 HG11 VAL 80 68.429 7.063 -0.848 564 2HG1 VAL 80 HG13 VAL 80 69.443 7.083 0.595 565 3HG1 VAL 80 HG12 VAL 80 69.321 5.617 -0.375 566 1HG2 VAL 80 HG21 VAL 80 66.452 7.813 1.138 567 2HG2 VAL 80 HG23 VAL 80 66.591 6.790 2.568 568 3HG2 VAL 80 HG22 VAL 80 67.968 7.756 2.038 569 H MET 81 HN MET 81 67.504 3.263 0.178 570 HA MET 81 HA MET 81 68.939 2.979 -2.223 571 1HB MET 81 HB2 MET 81 69.009 1.461 -0.183 572 2HB MET 81 HB1 MET 81 67.541 0.703 -0.802 573 1HG MET 81 HG2 MET 81 68.659 0.061 -2.848 574 2HG MET 81 HG1 MET 81 70.100 0.972 -2.397 575 1HE MET 81 HE2 MET 81 71.422 0.683 -0.482 576 2HE MET 81 HE1 MET 81 70.401 0.172 0.859 577 3HE MET 81 HE3 MET 81 71.771 -0.827 0.354 578 H MET 82 HN MET 82 65.522 2.368 -1.549 579 HA MET 82 HA MET 82 64.870 0.967 -3.936 580 1HB MET 82 HB2 MET 82 63.363 2.617 -1.955 581 2HB MET 82 HB1 MET 82 62.579 2.277 -3.499 582 1HG MET 82 HG2 MET 82 62.104 0.563 -1.717 583 2HG MET 82 HG1 MET 82 62.831 -0.106 -3.176 584 1HE MET 82 HE3 MET 82 64.008 -1.749 -3.056 585 2HE MET 82 HE2 MET 82 65.626 -1.058 -3.153 586 3HE MET 82 HE1 MET 82 65.262 -2.264 -1.920 587 H VAL 83 HN VAL 83 63.808 4.324 -3.412 588 HA VAL 83 HA VAL 83 63.530 4.969 -6.136 589 HB VAL 83 HB VAL 83 64.285 6.813 -3.849 590 1HG1 VAL 83 HG13 VAL 83 63.266 7.313 -6.652 591 2HG1 VAL 83 HG12 VAL 83 63.102 8.505 -5.361 592 3HG1 VAL 83 HG11 VAL 83 64.704 7.985 -5.884 593 1HG2 VAL 83 HG22 VAL 83 61.756 5.553 -4.792 594 2HG2 VAL 83 HG21 VAL 83 62.230 6.039 -3.165 595 3HG2 VAL 83 HG23 VAL 83 61.663 7.249 -4.316 596 H ARG 84 HN ARG 84 66.426 4.565 -4.306 597 HA ARG 84 HA ARG 84 68.263 6.268 -5.497 598 1HB ARG 84 HB2 ARG 84 68.720 4.520 -3.729 599 2HB ARG 84 HB1 ARG 84 68.752 3.318 -5.019 600 1HG ARG 84 HG2 ARG 84 70.945 3.825 -5.204 601 2HG ARG 84 HG1 ARG 84 70.391 5.294 -6.006 602 1HD ARG 84 HD2 ARG 84 70.127 5.942 -3.338 603 2HD ARG 84 HD1 ARG 84 71.592 4.959 -3.347 604 HE ARG 84 HE ARG 84 71.592 7.612 -4.135 605 1HH1 ARG 84 HH11 ARG 84 73.743 5.325 -4.482 606 2HH1 ARG 84 HH12 ARG 84 74.193 5.617 -6.129 607 1HH2 ARG 84 HH21 ARG 84 71.481 7.677 -6.781 608 2HH2 ARG 84 HH22 ARG 84 72.912 6.948 -7.431 609 H GLN 85 HN GLN 85 67.735 2.924 -6.681 610 HA GLN 85 HA GLN 85 68.532 3.882 -9.386 611 1HB GLN 85 HB2 GLN 85 68.753 1.320 -7.916 612 2HB GLN 85 HB1 GLN 85 68.362 1.177 -9.631 613 1HG GLN 85 HG2 GLN 85 70.637 2.887 -8.596 614 2HG GLN 85 HG1 GLN 85 70.846 1.209 -9.098 615 1HE2 GLN 85 HE22 GLN 85 70.849 4.040 -11.908 616 2HE2 GLN 85 HE21 GLN 85 71.061 4.348 -10.253 617 H MET 86 HN MET 86 65.752 3.316 -7.631 618 HA MET 86 HA MET 86 64.136 1.924 -9.566 619 1HB MET 86 HB2 MET 86 63.718 3.343 -7.035 620 2HB MET 86 HB1 MET 86 62.383 3.552 -8.167 621 1HG MET 86 HG2 MET 86 62.759 0.918 -8.486 622 2HG MET 86 HG1 MET 86 63.370 1.071 -6.839 623 1HE MET 86 HE1 MET 86 62.262 2.922 -5.392 624 2HE MET 86 HE3 MET 86 61.163 3.911 -6.364 625 3HE MET 86 HE2 MET 86 60.536 2.932 -5.041 626 H LYS 87 HN LYS 87 65.053 5.287 -9.134 627 HA LYS 87 HA LYS 87 63.091 6.504 -10.790 628 1HB LYS 87 HB2 LYS 87 65.451 7.311 -9.458 629 2HB LYS 87 HB1 LYS 87 65.665 7.760 -11.152 630 1HG LYS 87 HG2 LYS 87 63.626 9.023 -11.165 631 2HG LYS 87 HG1 LYS 87 63.149 8.386 -9.591 632 1HD LYS 87 HD2 LYS 87 65.207 9.472 -8.618 633 2HD LYS 87 HD1 LYS 87 65.460 10.253 -10.180 634 1HE LYS 87 HE2 LYS 87 63.551 11.580 -9.977 635 2HE LYS 87 HE1 LYS 87 62.786 10.479 -8.833 636 1HZ LYS 87 HZ3 LYS 87 65.109 11.266 -7.614 637 2HZ LYS 87 HZ2 LYS 87 64.514 12.685 -8.331 638 3HZ LYS 87 HZ1 LYS 87 63.545 11.808 -7.247 639 H GLU 88 HN GLU 88 66.319 5.216 -11.636 640 HA GLU 88 HA GLU 88 67.048 4.315 -13.689 641 1HB GLU 88 HB2 GLU 88 64.594 3.486 -13.753 642 2HB GLU 88 HB1 GLU 88 64.307 4.855 -14.827 643 1HG GLU 88 HG2 GLU 88 64.831 3.106 -16.315 644 2HG GLU 88 HG1 GLU 88 66.362 3.968 -16.148 645 H ASP 89 HN ASP 89 68.413 5.651 -14.766 646 HA ASP 89 HA ASP 89 67.317 8.234 -15.797 647 1HB ASP 89 HB2 ASP 89 70.208 7.502 -15.241 648 2HB ASP 89 HB1 ASP 89 69.594 9.095 -15.686 649 H ALA 90 HN ALA 90 67.852 5.236 -16.891 650 HA ALA 90 HA ALA 90 68.328 4.326 -19.001 651 1HB ALA 90 HB2 ALA 90 66.580 5.947 -19.678 652 2HB ALA 90 HB1 ALA 90 67.818 7.186 -19.877 653 3HB ALA 90 HB3 ALA 90 67.812 5.770 -20.928 No H/Q in entry = 653 Start of MODEL 28 1 1H ALA 1 HT1 ALA 1 65.145 14.476 15.405 2 2H ALA 1 HT3 ALA 1 65.223 13.385 16.702 3 3H ALA 1 HT2 ALA 1 66.375 14.626 16.568 4 HA ALA 1 HA ALA 1 67.513 12.761 15.819 5 1HB ALA 1 HB3 ALA 1 65.235 11.501 15.631 6 2HB ALA 1 HB2 ALA 1 65.260 12.044 13.953 7 3HB ALA 1 HB1 ALA 1 66.556 11.017 14.567 8 H SER 2 HN SER 2 68.384 12.336 13.491 9 HA SER 2 HA SER 2 68.162 14.901 11.971 10 1HB SER 2 HB2 SER 2 70.415 14.009 13.043 11 2HB SER 2 HB1 SER 2 70.447 12.995 11.603 12 HG SER 2 HG SER 2 70.925 15.655 11.878 13 H MET 3 HN MET 3 68.942 14.402 9.539 14 HA MET 3 HA MET 3 68.331 11.870 8.379 15 1HB MET 3 HB2 MET 3 66.117 12.336 7.415 16 2HB MET 3 HB1 MET 3 66.039 12.382 9.176 17 1HG MET 3 HG2 MET 3 66.738 14.996 8.338 18 2HG MET 3 HG1 MET 3 65.415 14.473 7.295 19 1HE MET 3 HE3 MET 3 66.548 16.125 9.864 20 2HE MET 3 HE2 MET 3 65.013 16.830 10.368 21 3HE MET 3 HE1 MET 3 65.833 15.677 11.419 22 H THR 4 HN THR 4 69.346 11.953 6.432 23 HA THR 4 HA THR 4 70.363 14.420 5.366 24 HB THR 4 HB THR 4 71.058 13.038 3.432 25 HG1 THR 4 HG1 THR 4 70.458 10.662 3.997 26 1HG2 THR 4 HG21 THR 4 71.488 12.120 6.248 27 2HG2 THR 4 HG23 THR 4 72.146 11.147 4.934 28 3HG2 THR 4 HG22 THR 4 72.637 12.831 5.115 29 H ASP 5 HN ASP 5 69.780 15.398 3.294 30 HA ASP 5 HA ASP 5 66.955 15.774 2.978 31 1HB ASP 5 HB2 ASP 5 68.959 16.350 0.800 32 2HB ASP 5 HB1 ASP 5 67.506 17.253 1.227 33 H GLN 6 HN GLN 6 69.058 13.316 1.863 34 HA GLN 6 HA GLN 6 67.767 12.632 -0.604 35 1HB GLN 6 HB2 GLN 6 69.476 11.129 1.366 36 2HB GLN 6 HB1 GLN 6 68.722 10.280 0.018 37 1HG GLN 6 HG2 GLN 6 69.791 11.788 -1.579 38 2HG GLN 6 HG1 GLN 6 70.481 12.735 -0.259 39 1HE2 GLN 6 HE22 GLN 6 71.960 8.951 -0.092 40 2HE2 GLN 6 HE21 GLN 6 70.303 9.253 0.119 41 H GLN 7 HN GLN 7 66.916 12.107 2.734 42 HA GLN 7 HA GLN 7 65.042 9.943 2.227 43 1HB GLN 7 HB2 GLN 7 64.901 11.830 4.576 44 2HB GLN 7 HB1 GLN 7 64.468 10.121 4.512 45 1HG GLN 7 HG2 GLN 7 67.252 11.308 4.395 46 2HG GLN 7 HG1 GLN 7 66.580 10.284 5.665 47 1HE2 GLN 7 HE22 GLN 7 67.208 7.266 3.930 48 2HE2 GLN 7 HE21 GLN 7 66.540 7.996 5.310 49 H ALA 8 HN ALA 8 64.916 13.436 2.133 50 HA ALA 8 HA ALA 8 62.034 13.665 2.247 51 1HB ALA 8 HB1 ALA 8 64.250 15.490 1.314 52 2HB ALA 8 HB3 ALA 8 62.555 15.937 1.131 53 3HB ALA 8 HB2 ALA 8 63.223 15.652 2.738 54 H GLU 9 HN GLU 9 64.367 13.114 -0.333 55 HA GLU 9 HA GLU 9 62.329 13.483 -2.424 56 1HB GLU 9 HB2 GLU 9 65.182 12.461 -2.575 57 2HB GLU 9 HB1 GLU 9 64.155 12.815 -3.964 58 1HG GLU 9 HG2 GLU 9 64.010 15.113 -2.361 59 2HG GLU 9 HG1 GLU 9 65.710 14.641 -2.325 60 H ALA 10 HN ALA 10 63.911 10.842 -0.705 61 HA ALA 10 HA ALA 10 62.961 8.738 -2.433 62 1HB ALA 10 HB3 ALA 10 64.059 8.865 0.361 63 2HB ALA 10 HB2 ALA 10 63.337 7.366 -0.223 64 3HB ALA 10 HB1 ALA 10 64.726 8.059 -1.059 65 H ARG 11 HN ARG 11 61.825 9.791 0.802 66 HA ARG 11 HA ARG 11 59.442 8.175 0.688 67 1HB ARG 11 HB2 ARG 11 60.483 10.354 2.446 68 2HB ARG 11 HB1 ARG 11 58.754 10.008 2.508 69 1HG ARG 11 HG2 ARG 11 59.280 7.604 2.897 70 2HG ARG 11 HG1 ARG 11 60.996 8.012 2.933 71 1HD ARG 11 HD2 ARG 11 60.819 9.166 4.949 72 2HD ARG 11 HD1 ARG 11 59.102 9.497 4.724 73 HE ARG 11 HE ARG 11 59.343 6.700 4.955 74 1HH1 ARG 11 HH21 ARG 11 58.053 8.991 6.751 75 2HH1 ARG 11 HH22 ARG 11 58.645 8.479 8.296 76 1HH2 ARG 11 HH11 ARG 11 60.956 6.257 6.970 77 2HH2 ARG 11 HH12 ARG 11 60.287 6.930 8.420 78 H ALA 12 HN ALA 12 60.107 11.585 -0.078 79 HA ALA 12 HA ALA 12 57.411 12.384 -0.522 80 1HB ALA 12 HB2 ALA 12 59.947 13.356 -1.873 81 2HB ALA 12 HB1 ALA 12 58.391 14.185 -1.924 82 3HB ALA 12 HB3 ALA 12 59.245 14.007 -0.393 83 H PHE 13 HN PHE 13 59.682 10.623 -2.557 84 HA PHE 13 HA PHE 13 57.886 10.799 -4.889 85 1HB PHE 13 HB2 PHE 13 60.292 10.836 -5.299 86 2HB PHE 13 HB1 PHE 13 60.486 9.301 -4.452 87 HD1 PHE 13 HD1 PHE 13 58.909 10.911 -7.417 88 HD2 PHE 13 HD2 PHE 13 60.074 7.226 -5.543 89 HE1 PHE 13 HE1 PHE 13 58.415 9.687 -9.516 90 HE2 PHE 13 HE2 PHE 13 59.582 6.001 -7.641 91 HZ PHE 13 HZ PHE 13 58.751 7.233 -9.628 92 H LEU 14 HN LEU 14 58.612 8.602 -2.274 93 HA LEU 14 HA LEU 14 57.110 6.409 -3.584 94 1HB LEU 14 HB2 LEU 14 58.484 6.517 -0.881 95 2HB LEU 14 HB1 LEU 14 57.792 5.077 -1.630 96 HG LEU 14 HG LEU 14 60.014 6.746 -2.843 97 1HD1 LEU 14 HD13 LEU 14 60.116 4.861 -0.728 98 2HD1 LEU 14 HD12 LEU 14 60.740 4.042 -2.160 99 3HD1 LEU 14 HD11 LEU 14 61.473 5.552 -1.616 100 1HD2 LEU 14 HD21 LEU 14 58.213 4.936 -4.006 101 2HD2 LEU 14 HD23 LEU 14 59.728 5.500 -4.706 102 3HD2 LEU 14 HD22 LEU 14 59.693 4.007 -3.769 103 H SER 15 HN SER 15 55.190 5.530 -2.628 104 HA SER 15 HA SER 15 53.723 7.501 -0.939 105 1HB SER 15 HB2 SER 15 52.401 7.079 -2.826 106 2HB SER 15 HB1 SER 15 52.873 5.385 -2.899 107 HG SER 15 HG SER 15 51.069 5.082 -1.860 108 H GLU 16 HN GLU 16 52.390 6.630 0.829 109 HA GLU 16 HA GLU 16 53.810 4.847 2.526 110 1HB GLU 16 HB2 GLU 16 51.413 6.399 2.654 111 2HB GLU 16 HB1 GLU 16 51.037 4.767 3.205 112 1HG GLU 16 HG2 GLU 16 53.505 5.313 4.377 113 2HG GLU 16 HG1 GLU 16 52.625 6.836 4.512 114 H GLU 17 HN GLU 17 51.772 4.191 -0.155 115 HA GLU 17 HA GLU 17 50.771 1.620 0.681 116 1HB GLU 17 HB2 GLU 17 51.265 2.696 -2.112 117 2HB GLU 17 HB1 GLU 17 50.297 1.274 -1.718 118 1HG GLU 17 HG2 GLU 17 48.780 2.679 -0.367 119 2HG GLU 17 HG1 GLU 17 49.744 4.102 -0.768 120 H MET 18 HN MET 18 53.180 2.203 -1.903 121 HA MET 18 HA MET 18 54.282 -0.446 -1.654 122 1HB MET 18 HB2 MET 18 55.669 1.962 -2.858 123 2HB MET 18 HB1 MET 18 55.912 0.263 -3.265 124 1HG MET 18 HG2 MET 18 54.142 0.241 -4.675 125 2HG MET 18 HG1 MET 18 53.116 1.094 -3.522 126 1HE MET 18 HE3 MET 18 56.294 1.370 -5.303 127 2HE MET 18 HE2 MET 18 55.501 1.748 -6.831 128 3HE MET 18 HE1 MET 18 56.409 2.998 -5.987 129 H ILE 19 HN ILE 19 54.777 2.457 0.121 130 HA ILE 19 HA ILE 19 57.495 1.886 0.975 131 HB ILE 19 HB ILE 19 55.331 3.749 1.970 132 1HG1 ILE 19 HG12 ILE 19 58.057 4.160 0.698 133 2HG1 ILE 19 HG11 ILE 19 56.504 4.356 -0.109 134 1HG2 ILE 19 HG23 ILE 19 57.635 2.731 3.417 135 2HG2 ILE 19 HG22 ILE 19 57.778 4.469 3.154 136 3HG2 ILE 19 HG21 ILE 19 56.362 3.817 3.976 137 1HD1 ILE 19 HD13 ILE 19 55.953 6.058 1.742 138 2HD1 ILE 19 HD12 ILE 19 57.677 6.026 2.114 139 3HD1 ILE 19 HD11 ILE 19 57.127 6.554 0.524 140 H ALA 20 HN ALA 20 54.256 1.190 2.228 141 HA ALA 20 HA ALA 20 55.138 0.163 4.770 142 1HB ALA 20 HB2 ALA 20 52.618 -0.159 3.142 143 2HB ALA 20 HB1 ALA 20 52.850 -1.041 4.651 144 3HB ALA 20 HB3 ALA 20 52.844 0.722 4.654 145 H GLU 21 HN GLU 21 54.683 -1.288 1.579 146 HA GLU 21 HA GLU 21 54.863 -4.024 2.343 147 1HB GLU 21 HB2 GLU 21 55.867 -2.713 -0.203 148 2HB GLU 21 HB1 GLU 21 55.551 -4.434 0.014 149 1HG GLU 21 HG2 GLU 21 53.166 -3.634 0.749 150 2HG GLU 21 HG1 GLU 21 53.593 -2.156 -0.115 151 H PHE 22 HN PHE 22 57.412 -1.664 1.551 152 HA PHE 22 HA PHE 22 59.618 -3.452 1.662 153 1HB PHE 22 HB2 PHE 22 59.368 -0.502 2.283 154 2HB PHE 22 HB1 PHE 22 60.914 -1.350 2.339 155 HD1 PHE 22 HD1 PHE 22 61.429 -2.863 0.213 156 HD2 PHE 22 HD2 PHE 22 58.699 0.452 0.264 157 HE1 PHE 22 HE1 PHE 22 61.632 -2.660 -2.251 158 HE2 PHE 22 HE2 PHE 22 58.901 0.656 -2.199 159 HZ PHE 22 HZ PHE 22 60.367 -0.899 -3.456 160 H LYS 23 HN LYS 23 57.741 -1.945 4.227 161 HA LYS 23 HA LYS 23 59.600 -2.413 6.365 162 1HB LYS 23 HB2 LYS 23 57.142 -1.182 6.143 163 2HB LYS 23 HB1 LYS 23 56.757 -2.622 7.085 164 1HG LYS 23 HG2 LYS 23 58.877 -0.552 7.728 165 2HG LYS 23 HG1 LYS 23 57.382 -0.843 8.617 166 1HD LYS 23 HD2 LYS 23 58.332 -3.308 8.779 167 2HD LYS 23 HD1 LYS 23 59.877 -2.499 8.513 168 1HE LYS 23 HE2 LYS 23 59.861 -2.162 10.758 169 2HE LYS 23 HE1 LYS 23 58.711 -0.874 10.397 170 1HZ LYS 23 HZ2 LYS 23 57.832 -3.667 10.801 171 2HZ LYS 23 HZ1 LYS 23 58.031 -2.600 12.108 172 3HZ LYS 23 HZ3 LYS 23 56.909 -2.244 10.888 173 H ALA 24 HN ALA 24 57.257 -4.458 4.740 174 HA ALA 24 HA ALA 24 57.143 -6.528 6.728 175 1HB ALA 24 HB1 ALA 24 55.740 -6.084 4.496 176 2HB ALA 24 HB3 ALA 24 56.913 -7.221 3.833 177 3HB ALA 24 HB2 ALA 24 55.889 -7.699 5.187 178 H ALA 25 HN ALA 25 59.028 -6.336 3.683 179 HA ALA 25 HA ALA 25 60.555 -8.706 4.227 180 1HB ALA 25 HB2 ALA 25 60.260 -7.501 1.982 181 2HB ALA 25 HB1 ALA 25 61.500 -6.380 2.543 182 3HB ALA 25 HB3 ALA 25 61.881 -8.090 2.348 183 H PHE 26 HN PHE 26 60.880 -5.383 5.259 184 HA PHE 26 HA PHE 26 63.590 -5.176 5.877 185 1HB PHE 26 HB2 PHE 26 61.749 -3.455 6.286 186 2HB PHE 26 HB1 PHE 26 61.411 -4.314 7.790 187 HD1 PHE 26 HD1 PHE 26 64.024 -2.466 5.904 188 HD2 PHE 26 HD2 PHE 26 62.842 -4.108 9.692 189 HE1 PHE 26 HE1 PHE 26 65.906 -1.281 7.003 190 HE2 PHE 26 HE2 PHE 26 64.723 -2.922 10.794 191 HZ PHE 26 HZ PHE 26 66.254 -1.509 9.449 192 H ASP 27 HN ASP 27 61.197 -6.140 8.361 193 HA ASP 27 HA ASP 27 63.072 -7.214 10.173 194 1HB ASP 27 HB2 ASP 27 60.168 -7.902 9.675 195 2HB ASP 27 HB1 ASP 27 61.096 -8.602 11.000 196 H MET 28 HN MET 28 61.975 -8.499 7.162 197 HA MET 28 HA MET 28 62.341 -11.288 7.650 198 1HB MET 28 HB2 MET 28 61.630 -9.724 5.468 199 2HB MET 28 HB1 MET 28 63.172 -10.429 4.980 200 1HG MET 28 HG2 MET 28 61.697 -12.489 6.260 201 2HG MET 28 HG1 MET 28 60.597 -11.697 5.133 202 1HE MET 28 HE2 MET 28 64.026 -12.830 5.793 203 2HE MET 28 HE1 MET 28 64.613 -13.667 4.361 204 3HE MET 28 HE3 MET 28 64.661 -11.901 4.437 205 H PHE 29 HN PHE 29 64.633 -8.753 6.661 206 HA PHE 29 HA PHE 29 66.835 -10.736 6.662 207 1HB PHE 29 HB2 PHE 29 67.675 -7.963 6.363 208 2HB PHE 29 HB1 PHE 29 67.894 -9.318 5.259 209 HD1 PHE 29 HD1 PHE 29 65.692 -10.086 3.985 210 HD2 PHE 29 HD2 PHE 29 66.301 -6.199 5.708 211 HE1 PHE 29 HE1 PHE 29 63.940 -9.152 2.499 212 HE2 PHE 29 HE2 PHE 29 64.549 -5.265 4.222 213 HZ PHE 29 HZ PHE 29 63.368 -6.742 2.617 214 H ASP 30 HN ASP 30 65.247 -8.933 8.947 215 HA ASP 30 HA ASP 30 67.726 -8.472 10.545 216 1HB ASP 30 HB2 ASP 30 65.780 -6.692 10.083 217 2HB ASP 30 HB1 ASP 30 65.063 -7.499 11.478 218 H ALA 31 HN ALA 31 67.582 -10.969 10.748 219 HA ALA 31 HA ALA 31 65.519 -12.208 12.275 220 1HB ALA 31 HB2 ALA 31 67.551 -13.242 10.964 221 2HB ALA 31 HB1 ALA 31 68.383 -13.086 12.511 222 3HB ALA 31 HB3 ALA 31 66.925 -14.071 12.388 223 H ASP 32 HN ASP 32 68.229 -10.210 13.208 224 HA ASP 32 HA ASP 32 68.052 -10.952 16.040 225 1HB ASP 32 HB2 ASP 32 70.140 -10.086 14.733 226 2HB ASP 32 HB1 ASP 32 69.438 -8.489 15.002 227 H GLY 33 HN GLY 33 67.053 -8.226 13.986 228 1HA GLY 33 HA2 GLY 33 65.086 -6.907 14.387 229 2HA GLY 33 HA1 GLY 33 65.053 -7.505 16.046 230 H GLY 34 HN GLY 34 67.740 -6.004 14.249 231 1HA GLY 34 HA2 GLY 34 68.110 -4.136 16.515 232 2HA GLY 34 HA1 GLY 34 69.249 -4.389 15.191 233 H GLY 35 HN GLY 35 66.156 -4.113 13.931 234 1HA GLY 35 HA2 GLY 35 65.022 -2.371 12.837 235 2HA GLY 35 HA1 GLY 35 65.822 -1.251 13.943 236 H ASP 36 HN ASP 36 67.965 -3.316 12.263 237 HA ASP 36 HA ASP 36 68.281 -1.654 9.892 238 1HB ASP 36 HB2 ASP 36 70.548 -0.825 10.482 239 2HB ASP 36 HB1 ASP 36 69.310 -0.168 11.554 240 H ILE 37 HN ILE 37 69.272 -2.884 8.334 241 HA ILE 37 HA ILE 37 70.584 -5.403 9.258 242 HB ILE 37 HB ILE 37 69.823 -6.467 7.304 243 1HG1 ILE 37 HG12 ILE 37 69.303 -3.714 6.128 244 2HG1 ILE 37 HG11 ILE 37 70.658 -4.763 5.712 245 1HG2 ILE 37 HG23 ILE 37 67.973 -4.915 8.804 246 2HG2 ILE 37 HG22 ILE 37 67.462 -4.849 7.116 247 3HG2 ILE 37 HG21 ILE 37 67.665 -6.408 7.917 248 1HD1 ILE 37 HD11 ILE 37 68.171 -6.223 5.507 249 2HD1 ILE 37 HD13 ILE 37 68.095 -4.752 4.535 250 3HD1 ILE 37 HD12 ILE 37 69.385 -5.924 4.263 251 H SER 38 HN SER 38 72.730 -5.687 8.781 252 HA SER 38 HA SER 38 74.447 -3.655 7.993 253 1HB SER 38 HB2 SER 38 75.851 -5.674 6.998 254 2HB SER 38 HB1 SER 38 75.592 -5.536 8.735 255 HG SER 38 HG SER 38 74.375 -7.253 8.671 256 H THR 39 HN THR 39 75.398 -3.051 5.942 257 HA THR 39 HA THR 39 73.528 -2.990 3.768 258 HB THR 39 HB THR 39 75.247 -1.863 2.522 259 HG1 THR 39 HG1 THR 39 77.383 -1.851 3.826 260 1HG2 THR 39 HG21 THR 39 75.058 -1.283 5.453 261 2HG2 THR 39 HG23 THR 39 76.217 -0.371 4.486 262 3HG2 THR 39 HG22 THR 39 74.501 -0.323 4.083 263 H LYS 40 HN LYS 40 75.564 -5.470 4.824 264 HA LYS 40 HA LYS 40 76.219 -6.586 2.214 265 1HB LYS 40 HB2 LYS 40 77.070 -8.484 3.437 266 2HB LYS 40 HB1 LYS 40 77.527 -7.032 4.326 267 1HG LYS 40 HG2 LYS 40 75.656 -7.339 5.865 268 2HG LYS 40 HG1 LYS 40 75.092 -8.732 4.942 269 1HD LYS 40 HD2 LYS 40 77.132 -9.959 5.460 270 2HD LYS 40 HD1 LYS 40 77.800 -8.553 6.289 271 1HE LYS 40 HE2 LYS 40 76.927 -9.577 8.138 272 2HE LYS 40 HE1 LYS 40 75.441 -8.790 7.604 273 1HZ LYS 40 HZ1 LYS 40 75.923 -11.277 6.268 274 2HZ LYS 40 HZ3 LYS 40 75.793 -11.465 7.950 275 3HZ LYS 40 HZ2 LYS 40 74.532 -10.733 7.077 276 H ALA 41 HN ALA 41 73.698 -7.166 4.657 277 HA ALA 41 HA ALA 41 72.534 -9.416 3.261 278 1HB ALA 41 HB2 ALA 41 72.117 -8.073 5.721 279 2HB ALA 41 HB1 ALA 41 70.589 -7.992 4.843 280 3HB ALA 41 HB3 ALA 41 71.340 -9.556 5.163 281 H LEU 42 HN LEU 42 72.612 -6.129 2.541 282 HA LEU 42 HA LEU 42 69.978 -5.686 1.519 283 1HB LEU 42 HB2 LEU 42 72.675 -4.481 0.889 284 2HB LEU 42 HB1 LEU 42 71.218 -3.978 0.031 285 HG LEU 42 HG LEU 42 71.786 -2.564 2.050 286 1HD1 LEU 42 HD11 LEU 42 69.311 -3.553 1.150 287 2HD1 LEU 42 HD13 LEU 42 69.235 -3.628 2.912 288 3HD1 LEU 42 HD12 LEU 42 69.587 -2.098 2.108 289 1HD2 LEU 42 HD22 LEU 42 72.565 -4.526 3.427 290 2HD2 LEU 42 HD21 LEU 42 71.412 -3.484 4.257 291 3HD2 LEU 42 HD23 LEU 42 70.880 -5.022 3.576 292 H GLY 43 HN GLY 43 72.859 -7.182 0.127 293 1HA GLY 43 HA2 GLY 43 71.923 -7.312 -2.579 294 2HA GLY 43 HA1 GLY 43 73.153 -8.363 -1.879 295 H THR 44 HN THR 44 71.283 -9.283 0.254 296 HA THR 44 HA THR 44 70.128 -11.501 -1.225 297 HB THR 44 HB THR 44 69.852 -10.665 1.678 298 HG1 THR 44 HG1 THR 44 71.705 -11.599 1.836 299 1HG2 THR 44 HG21 THR 44 68.690 -12.896 0.082 300 2HG2 THR 44 HG23 THR 44 69.294 -13.288 1.692 301 3HG2 THR 44 HG22 THR 44 68.038 -12.065 1.495 302 H VAL 45 HN VAL 45 68.830 -8.634 0.431 303 HA VAL 45 HA VAL 45 66.065 -9.295 -0.035 304 HB VAL 45 HB VAL 45 67.249 -6.529 0.311 305 1HG1 VAL 45 HG12 VAL 45 64.547 -7.724 0.998 306 2HG1 VAL 45 HG11 VAL 45 65.047 -6.067 1.337 307 3HG1 VAL 45 HG13 VAL 45 64.873 -6.613 -0.332 308 1HG2 VAL 45 HG22 VAL 45 66.887 -8.801 2.213 309 2HG2 VAL 45 HG21 VAL 45 68.102 -7.521 2.210 310 3HG2 VAL 45 HG23 VAL 45 66.470 -7.188 2.792 311 H MET 46 HN MET 46 68.533 -7.661 -1.926 312 HA MET 46 HA MET 46 66.969 -6.289 -3.806 313 1HB MET 46 HB2 MET 46 69.659 -7.521 -3.790 314 2HB MET 46 HB1 MET 46 68.953 -7.286 -5.389 315 1HG MET 46 HG2 MET 46 68.923 -5.073 -3.340 316 2HG MET 46 HG1 MET 46 70.323 -5.331 -4.382 317 1HE MET 46 HE2 MET 46 69.484 -2.896 -4.335 318 2HE MET 46 HE1 MET 46 70.016 -2.860 -6.013 319 3HE MET 46 HE3 MET 46 68.434 -2.206 -5.569 320 H ARG 47 HN ARG 47 68.082 -9.693 -4.044 321 HA ARG 47 HA ARG 47 66.320 -10.151 -6.337 322 1HB ARG 47 HB2 ARG 47 67.269 -12.329 -6.428 323 2HB ARG 47 HB1 ARG 47 68.589 -11.276 -5.923 324 1HG ARG 47 HG2 ARG 47 68.827 -12.883 -4.302 325 2HG ARG 47 HG1 ARG 47 67.600 -11.903 -3.499 326 1HD ARG 47 HD2 ARG 47 65.976 -13.475 -3.787 327 2HD ARG 47 HD1 ARG 47 66.541 -13.901 -5.402 328 HE ARG 47 HE ARG 47 68.346 -14.814 -3.308 329 1HH1 ARG 47 HH21 ARG 47 65.287 -15.405 -4.768 330 2HH1 ARG 47 HH22 ARG 47 65.434 -17.129 -4.696 331 1HH2 ARG 47 HH11 ARG 47 68.627 -17.070 -3.347 332 2HH2 ARG 47 HH12 ARG 47 67.323 -18.072 -3.890 333 H MET 48 HN MET 48 66.026 -10.350 -2.906 334 HA MET 48 HA MET 48 64.065 -12.443 -2.770 335 1HB MET 48 HB2 MET 48 63.993 -11.976 -0.531 336 2HB MET 48 HB1 MET 48 65.442 -11.048 -0.898 337 1HG MET 48 HG2 MET 48 64.221 -9.424 0.204 338 2HG MET 48 HG1 MET 48 63.644 -9.147 -1.440 339 1HE MET 48 HE1 MET 48 63.431 -11.210 1.563 340 2HE MET 48 HE3 MET 48 61.725 -11.353 2.013 341 3HE MET 48 HE2 MET 48 62.414 -12.433 0.804 342 H LEU 49 HN LEU 49 63.873 -9.025 -3.548 343 HA LEU 49 HA LEU 49 60.918 -9.089 -3.494 344 1HB LEU 49 HB2 LEU 49 62.652 -6.826 -4.497 345 2HB LEU 49 HB1 LEU 49 61.004 -6.741 -3.877 346 HG LEU 49 HG LEU 49 63.463 -7.476 -2.262 347 1HD1 LEU 49 HD13 LEU 49 61.691 -5.011 -2.234 348 2HD1 LEU 49 HD12 LEU 49 63.021 -5.326 -1.117 349 3HD1 LEU 49 HD11 LEU 49 63.348 -5.082 -2.834 350 1HD2 LEU 49 HD22 LEU 49 61.122 -8.511 -1.712 351 2HD2 LEU 49 HD21 LEU 49 62.045 -7.763 -0.410 352 3HD2 LEU 49 HD23 LEU 49 60.719 -6.882 -1.168 353 H GLY 50 HN GLY 50 63.534 -9.469 -5.737 354 1HA GLY 50 HA2 GLY 50 62.651 -10.689 -7.836 355 2HA GLY 50 HA1 GLY 50 61.617 -9.270 -8.020 356 H GLN 51 HN GLN 51 62.981 -7.118 -7.874 357 HA GLN 51 HA GLN 51 64.631 -6.917 -10.125 358 1HB GLN 51 HB2 GLN 51 65.552 -4.829 -8.996 359 2HB GLN 51 HB1 GLN 51 63.793 -4.905 -9.119 360 1HG GLN 51 HG2 GLN 51 63.655 -5.739 -6.806 361 2HG GLN 51 HG1 GLN 51 65.413 -5.690 -6.678 362 1HE2 GLN 51 HE22 GLN 51 65.290 -2.352 -5.592 363 2HE2 GLN 51 HE21 GLN 51 65.992 -3.892 -5.454 364 H ASN 52 HN ASN 52 66.715 -7.510 -10.548 365 HA ASN 52 HA ASN 52 68.564 -7.953 -8.260 366 1HB ASN 52 HB2 ASN 52 67.582 -10.150 -8.802 367 2HB ASN 52 HB1 ASN 52 68.071 -9.954 -10.486 368 1HD2 ASN 52 HD22 ASN 52 71.227 -10.170 -7.861 369 2HD2 ASN 52 HD21 ASN 52 69.931 -9.126 -7.522 370 HA PRO 53 HA PRO 53 70.695 -5.646 -11.544 371 1HB PRO 53 HB2 PRO 53 72.169 -4.139 -9.779 372 2HB PRO 53 HB1 PRO 53 70.533 -3.709 -10.304 373 1HG PRO 53 HG2 PRO 53 71.430 -4.835 -7.691 374 2HG PRO 53 HG1 PRO 53 70.016 -3.831 -8.054 375 1HD PRO 53 HD2 PRO 53 69.996 -6.630 -7.642 376 2HD PRO 53 HD1 PRO 53 68.674 -5.669 -8.338 377 H THR 54 HN THR 54 73.333 -5.039 -11.286 378 HA THR 54 HA THR 54 74.584 -7.693 -11.134 379 HB THR 54 HB THR 54 76.622 -5.895 -11.599 380 HG1 THR 54 HG1 THR 54 75.351 -4.623 -13.310 381 1HG2 THR 54 HG21 THR 54 74.850 -7.638 -13.186 382 2HG2 THR 54 HG23 THR 54 75.668 -6.381 -14.115 383 3HG2 THR 54 HG22 THR 54 76.609 -7.536 -13.171 384 H LYS 55 HN LYS 55 76.470 -8.122 -9.798 385 HA LYS 55 HA LYS 55 76.204 -7.436 -7.082 386 1HB LYS 55 HB2 LYS 55 78.090 -8.880 -8.714 387 2HB LYS 55 HB1 LYS 55 78.962 -7.897 -7.538 388 1HG LYS 55 HG2 LYS 55 76.594 -9.296 -6.461 389 2HG LYS 55 HG1 LYS 55 77.901 -10.357 -6.990 390 1HD LYS 55 HD2 LYS 55 79.448 -9.402 -5.491 391 2HD LYS 55 HD1 LYS 55 78.472 -7.951 -5.266 392 1HE LYS 55 HE2 LYS 55 77.967 -9.079 -3.306 393 2HE LYS 55 HE1 LYS 55 76.693 -9.702 -4.354 394 1HZ LYS 55 HZ3 LYS 55 78.551 -11.446 -4.922 395 2HZ LYS 55 HZ2 LYS 55 79.115 -11.023 -3.377 396 3HZ LYS 55 HZ1 LYS 55 77.545 -11.642 -3.571 397 H GLU 56 HN GLU 56 78.690 -6.165 -9.332 398 HA GLU 56 HA GLU 56 79.775 -4.204 -7.653 399 1HB GLU 56 HB2 GLU 56 80.186 -4.916 -10.240 400 2HB GLU 56 HB1 GLU 56 79.356 -3.378 -10.473 401 1HG GLU 56 HG2 GLU 56 80.976 -2.348 -8.835 402 2HG GLU 56 HG1 GLU 56 81.870 -3.869 -8.856 403 H GLU 57 HN GLU 57 77.039 -3.806 -9.926 404 HA GLU 57 HA GLU 57 76.427 -1.126 -9.413 405 1HB GLU 57 HB2 GLU 57 75.208 -2.318 -11.112 406 2HB GLU 57 HB1 GLU 57 74.576 -3.467 -9.931 407 1HG GLU 57 HG2 GLU 57 72.834 -2.110 -9.510 408 2HG GLU 57 HG1 GLU 57 73.938 -0.810 -9.058 409 H LEU 58 HN LEU 58 75.657 -3.976 -7.453 410 HA LEU 58 HA LEU 58 73.925 -2.588 -5.612 411 1HB LEU 58 HB2 LEU 58 74.191 -5.136 -5.970 412 2HB LEU 58 HB1 LEU 58 75.586 -5.004 -4.897 413 HG LEU 58 HG LEU 58 73.233 -3.597 -3.868 414 1HD1 LEU 58 HD11 LEU 58 72.139 -5.502 -5.079 415 2HD1 LEU 58 HD13 LEU 58 73.105 -6.617 -4.112 416 3HD1 LEU 58 HD12 LEU 58 71.918 -5.569 -3.332 417 1HD2 LEU 58 HD23 LEU 58 75.316 -5.545 -2.925 418 2HD2 LEU 58 HD22 LEU 58 74.945 -3.931 -2.318 419 3HD2 LEU 58 HD21 LEU 58 73.876 -5.284 -1.941 420 H ASP 59 HN ASP 59 77.417 -3.195 -5.703 421 HA ASP 59 HA ASP 59 78.048 -2.336 -3.069 422 1HB ASP 59 HB2 ASP 59 79.634 -2.104 -5.644 423 2HB ASP 59 HB1 ASP 59 80.299 -1.774 -4.044 424 H ALA 60 HN ALA 60 77.834 -0.446 -6.099 425 HA ALA 60 HA ALA 60 78.467 2.074 -4.880 426 1HB ALA 60 HB3 ALA 60 77.509 1.117 -7.473 427 2HB ALA 60 HB2 ALA 60 76.787 2.662 -7.020 428 3HB ALA 60 HB1 ALA 60 78.541 2.498 -7.101 429 H ILE 61 HN ILE 61 75.616 0.123 -4.879 430 HA ILE 61 HA ILE 61 73.763 2.299 -4.284 431 HB ILE 61 HB ILE 61 73.572 -0.718 -4.134 432 1HG1 ILE 61 HG12 ILE 61 72.070 1.291 -5.836 433 2HG1 ILE 61 HG11 ILE 61 73.556 0.497 -6.362 434 1HG2 ILE 61 HG23 ILE 61 71.995 1.234 -2.729 435 2HG2 ILE 61 HG22 ILE 61 71.001 0.477 -3.975 436 3HG2 ILE 61 HG21 ILE 61 71.803 -0.519 -2.761 437 1HD1 ILE 61 HD13 ILE 61 71.847 -1.533 -5.348 438 2HD1 ILE 61 HD12 ILE 61 70.871 -0.524 -6.415 439 3HD1 ILE 61 HD11 ILE 61 72.344 -1.279 -7.020 440 H ILE 62 HN ILE 62 75.531 -0.152 -2.416 441 HA ILE 62 HA ILE 62 74.367 0.410 0.128 442 HB ILE 62 HB ILE 62 77.076 -0.660 -0.695 443 1HG1 ILE 62 HG12 ILE 62 74.684 -1.962 0.643 444 2HG1 ILE 62 HG11 ILE 62 75.023 -2.041 -1.086 445 1HG2 ILE 62 HG23 ILE 62 75.943 -0.124 2.052 446 2HG2 ILE 62 HG22 ILE 62 77.144 -1.387 1.784 447 3HG2 ILE 62 HG21 ILE 62 77.537 0.293 1.423 448 1HD1 ILE 62 HD13 ILE 62 77.436 -2.782 0.048 449 2HD1 ILE 62 HD12 ILE 62 76.252 -3.525 1.124 450 3HD1 ILE 62 HD11 ILE 62 76.230 -3.894 -0.601 451 H GLU 63 HN GLU 63 77.207 1.813 -1.511 452 HA GLU 63 HA GLU 63 77.934 3.551 0.661 453 1HB GLU 63 HB2 GLU 63 79.085 2.862 -1.727 454 2HB GLU 63 HB1 GLU 63 78.532 4.503 -2.068 455 1HG GLU 63 HG2 GLU 63 80.363 5.242 -0.982 456 2HG GLU 63 HG1 GLU 63 79.623 4.650 0.506 457 H GLU 64 HN GLU 64 75.925 4.035 -2.242 458 HA GLU 64 HA GLU 64 75.414 6.820 -1.756 459 1HB GLU 64 HB2 GLU 64 74.732 4.908 -3.722 460 2HB GLU 64 HB1 GLU 64 73.207 5.534 -3.098 461 1HG GLU 64 HG2 GLU 64 75.037 7.721 -3.398 462 2HG GLU 64 HG1 GLU 64 75.002 6.804 -4.904 463 H VAL 65 HN VAL 65 74.034 3.893 -0.436 464 HA VAL 65 HA VAL 65 71.655 5.270 0.600 465 HB VAL 65 HB VAL 65 72.744 2.521 1.278 466 1HG1 VAL 65 HG13 VAL 65 70.394 4.101 2.100 467 2HG1 VAL 65 HG12 VAL 65 70.014 2.468 1.552 468 3HG1 VAL 65 HG11 VAL 65 71.145 2.712 2.883 469 1HG2 VAL 65 HG21 VAL 65 71.983 3.270 -1.197 470 2HG2 VAL 65 HG23 VAL 65 71.635 1.667 -0.549 471 3HG2 VAL 65 HG22 VAL 65 70.394 2.921 -0.511 472 H ASP 66 HN ASP 66 74.806 4.211 1.808 473 HA ASP 66 HA ASP 66 74.148 4.998 4.560 474 1HB ASP 66 HB2 ASP 66 76.009 3.276 3.430 475 2HB ASP 66 HB1 ASP 66 76.988 4.651 3.942 476 H GLU 67 HN GLU 67 73.564 7.249 3.629 477 HA GLU 67 HA GLU 67 75.668 9.006 2.759 478 1HB GLU 67 HB2 GLU 67 72.840 9.204 3.418 479 2HB GLU 67 HB1 GLU 67 73.740 10.596 4.023 480 1HG GLU 67 HG2 GLU 67 74.497 9.758 1.299 481 2HG GLU 67 HG1 GLU 67 72.837 10.339 1.446 482 H ASP 68 HN ASP 68 75.012 7.618 5.778 483 HA ASP 68 HA ASP 68 76.368 9.840 7.231 484 1HB ASP 68 HB2 ASP 68 75.708 8.264 9.243 485 2HB ASP 68 HB1 ASP 68 74.490 9.297 8.495 486 H GLY 69 HN GLY 69 76.466 6.261 7.046 487 1HA GLY 69 HA2 GLY 69 78.592 5.113 6.610 488 2HA GLY 69 HA1 GLY 69 79.425 6.460 7.386 489 H SER 70 HN SER 70 76.503 5.058 8.732 490 HA SER 70 HA SER 70 77.882 4.522 11.243 491 1HB SER 70 HB2 SER 70 75.463 3.339 11.563 492 2HB SER 70 HB1 SER 70 75.728 5.067 11.774 493 HG SER 70 HG SER 70 74.060 4.030 10.151 494 H GLY 71 HN GLY 71 77.597 2.813 8.362 495 1HA GLY 71 HA2 GLY 71 78.327 0.635 7.839 496 2HA GLY 71 HA1 GLY 71 78.761 0.428 9.536 497 H THR 72 HN THR 72 75.534 1.409 8.582 498 HA THR 72 HA THR 72 74.460 -1.313 8.723 499 HB THR 72 HB THR 72 72.905 -0.138 10.679 500 HG1 THR 72 HG1 THR 72 74.488 0.641 12.167 501 1HG2 THR 72 HG22 THR 72 75.351 -1.904 10.964 502 2HG2 THR 72 HG21 THR 72 74.133 -1.668 12.220 503 3HG2 THR 72 HG23 THR 72 73.692 -2.443 10.698 504 H ILE 73 HN ILE 73 72.379 -1.402 7.828 505 HA ILE 73 HA ILE 73 71.411 1.167 6.669 506 HB ILE 73 HB ILE 73 70.870 -1.725 5.951 507 1HG1 ILE 73 HG12 ILE 73 73.055 -0.549 5.279 508 2HG1 ILE 73 HG11 ILE 73 72.113 -1.260 3.969 509 1HG2 ILE 73 HG22 ILE 73 69.420 0.775 5.290 510 2HG2 ILE 73 HG21 ILE 73 69.779 -0.283 3.925 511 3HG2 ILE 73 HG23 ILE 73 68.848 -0.894 5.293 512 1HD1 ILE 73 HD11 ILE 73 71.106 0.943 3.491 513 2HD1 ILE 73 HD13 ILE 73 72.050 1.657 4.800 514 3HD1 ILE 73 HD12 ILE 73 72.864 1.013 3.374 515 H ASP 74 HN ASP 74 69.269 1.840 6.999 516 HA ASP 74 HA ASP 74 67.666 0.232 8.943 517 1HB ASP 74 HB2 ASP 74 66.883 2.666 9.668 518 2HB ASP 74 HB1 ASP 74 68.330 1.939 10.367 519 H PHE 75 HN PHE 75 65.296 1.035 8.909 520 HA PHE 75 HA PHE 75 64.210 0.744 6.332 521 1HB PHE 75 HB2 PHE 75 63.076 0.719 8.713 522 2HB PHE 75 HB1 PHE 75 62.761 2.418 8.356 523 HD1 PHE 75 HD2 PHE 75 62.716 -0.812 6.433 524 HD2 PHE 75 HD1 PHE 75 60.661 2.823 7.441 525 HE1 PHE 75 HE2 PHE 75 60.830 -1.470 4.962 526 HE2 PHE 75 HE1 PHE 75 58.775 2.165 5.971 527 HZ PHE 75 HZ PHE 75 58.859 0.019 4.732 528 H GLU 76 HN GLU 76 64.972 3.741 8.103 529 HA GLU 76 HA GLU 76 63.893 5.593 6.263 530 1HB GLU 76 HB2 GLU 76 66.465 5.888 7.846 531 2HB GLU 76 HB1 GLU 76 65.494 7.202 7.182 532 1HG GLU 76 HG2 GLU 76 63.554 6.267 8.572 533 2HG GLU 76 HG1 GLU 76 64.764 5.291 9.405 534 H GLU 77 HN GLU 77 67.101 4.036 6.286 535 HA GLU 77 HA GLU 77 67.896 5.355 3.803 536 1HB GLU 77 HB2 GLU 77 69.143 2.989 5.235 537 2HB GLU 77 HB1 GLU 77 69.899 3.949 3.962 538 1HG GLU 77 HG2 GLU 77 69.714 5.965 5.403 539 2HG GLU 77 HG1 GLU 77 69.035 4.962 6.687 540 H PHE 78 HN PHE 78 66.018 2.622 4.619 541 HA PHE 78 HA PHE 78 66.606 0.891 2.416 542 1HB PHE 78 HB2 PHE 78 64.892 0.836 4.600 543 2HB PHE 78 HB1 PHE 78 63.790 0.932 3.226 544 HD1 PHE 78 HD2 PHE 78 63.801 -0.803 1.474 545 HD2 PHE 78 HD1 PHE 78 66.312 -1.093 4.946 546 HE1 PHE 78 HE2 PHE 78 64.196 -3.205 0.987 547 HE2 PHE 78 HE1 PHE 78 66.707 -3.494 4.460 548 HZ PHE 78 HZ PHE 78 65.650 -4.549 2.482 549 H LEU 79 HN LEU 79 63.871 3.161 2.820 550 HA LEU 79 HA LEU 79 62.842 3.022 0.218 551 1HB LEU 79 HB2 LEU 79 63.071 5.548 1.886 552 2HB LEU 79 HB1 LEU 79 61.902 5.240 0.602 553 HG LEU 79 HG LEU 79 62.117 3.596 3.142 554 1HD1 LEU 79 HD12 LEU 79 60.280 5.868 2.353 555 2HD1 LEU 79 HD11 LEU 79 59.913 4.744 3.661 556 3HD1 LEU 79 HD13 LEU 79 61.337 5.780 3.763 557 1HD2 LEU 79 HD21 LEU 79 61.066 2.842 0.752 558 2HD2 LEU 79 HD23 LEU 79 60.431 2.296 2.303 559 3HD2 LEU 79 HD22 LEU 79 59.671 3.649 1.465 560 H VAL 80 HN VAL 80 65.717 4.669 1.380 561 HA VAL 80 HA VAL 80 66.167 6.343 -0.898 562 HB VAL 80 HB VAL 80 68.166 5.070 0.998 563 1HG1 VAL 80 HG13 VAL 80 68.461 6.751 -1.370 564 2HG1 VAL 80 HG12 VAL 80 69.150 7.508 0.066 565 3HG1 VAL 80 HG11 VAL 80 69.697 5.907 -0.437 566 1HG2 VAL 80 HG22 VAL 80 66.597 7.654 1.019 567 2HG2 VAL 80 HG21 VAL 80 66.709 6.434 2.288 568 3HG2 VAL 80 HG23 VAL 80 68.092 7.472 1.938 569 H MET 81 HN MET 81 67.387 3.074 -0.110 570 HA MET 81 HA MET 81 68.950 2.630 -2.397 571 1HB MET 81 HB2 MET 81 68.189 1.098 -0.278 572 2HB MET 81 HB1 MET 81 67.255 0.346 -1.573 573 1HG MET 81 HG2 MET 81 69.211 -0.116 -2.852 574 2HG MET 81 HG1 MET 81 70.203 0.946 -1.854 575 1HE MET 81 HE3 MET 81 69.962 0.862 0.543 576 2HE MET 81 HE2 MET 81 69.051 -0.382 1.397 577 3HE MET 81 HE1 MET 81 70.807 -0.495 1.303 578 H MET 82 HN MET 82 65.444 2.108 -1.994 579 HA MET 82 HA MET 82 64.832 1.015 -4.500 580 1HB MET 82 HB2 MET 82 63.394 2.556 -2.445 581 2HB MET 82 HB1 MET 82 62.718 2.717 -4.067 582 1HG MET 82 HG2 MET 82 61.635 0.812 -3.200 583 2HG MET 82 HG1 MET 82 62.929 0.145 -4.193 584 1HE MET 82 HE2 MET 82 64.398 -1.080 -3.807 585 2HE MET 82 HE1 MET 82 65.514 -1.051 -2.444 586 3HE MET 82 HE3 MET 82 64.235 -2.271 -2.518 587 H VAL 83 HN VAL 83 64.240 4.466 -3.807 588 HA VAL 83 HA VAL 83 64.082 5.306 -6.484 589 HB VAL 83 HB VAL 83 65.307 6.992 -4.292 590 1HG1 VAL 83 HG11 VAL 83 64.423 7.455 -6.975 591 2HG1 VAL 83 HG13 VAL 83 63.331 8.304 -5.881 592 3HG1 VAL 83 HG12 VAL 83 65.065 8.624 -5.822 593 1HG2 VAL 83 HG23 VAL 83 62.816 5.613 -4.217 594 2HG2 VAL 83 HG22 VAL 83 63.408 6.833 -3.091 595 3HG2 VAL 83 HG21 VAL 83 62.461 7.318 -4.498 596 H ARG 84 HN ARG 84 66.879 4.393 -4.654 597 HA ARG 84 HA ARG 84 68.853 5.829 -6.179 598 1HB ARG 84 HB2 ARG 84 68.834 3.994 -4.009 599 2HB ARG 84 HB1 ARG 84 69.875 3.305 -5.256 600 1HG ARG 84 HG2 ARG 84 71.334 4.690 -4.025 601 2HG ARG 84 HG1 ARG 84 70.901 5.679 -5.419 602 1HD ARG 84 HD2 ARG 84 69.006 5.953 -3.201 603 2HD ARG 84 HD1 ARG 84 70.645 6.444 -2.769 604 HE ARG 84 HE ARG 84 70.559 8.046 -4.669 605 1HH1 ARG 84 HH21 ARG 84 68.660 7.675 -6.546 606 2HH1 ARG 84 HH22 ARG 84 67.184 8.369 -5.966 607 1HH2 ARG 84 HH11 ARG 84 68.210 8.452 -2.656 608 2HH2 ARG 84 HH12 ARG 84 66.927 8.807 -3.764 609 H GLN 85 HN GLN 85 67.434 2.578 -6.498 610 HA GLN 85 HA GLN 85 69.052 1.834 -8.770 611 1HB GLN 85 HB2 GLN 85 66.668 0.751 -7.365 612 2HB GLN 85 HB1 GLN 85 66.865 0.268 -9.051 613 1HG GLN 85 HG2 GLN 85 69.323 0.170 -7.397 614 2HG GLN 85 HG1 GLN 85 68.077 -1.008 -6.981 615 1HE2 GLN 85 HE22 GLN 85 69.995 -1.295 -10.592 616 2HE2 GLN 85 HE21 GLN 85 70.136 0.125 -9.673 617 H MET 86 HN MET 86 65.562 2.653 -8.618 618 HA MET 86 HA MET 86 64.988 2.825 -11.314 619 1HB MET 86 HB2 MET 86 63.241 4.382 -10.776 620 2HB MET 86 HB1 MET 86 63.422 3.328 -9.372 621 1HG MET 86 HG2 MET 86 64.832 5.018 -8.271 622 2HG MET 86 HG1 MET 86 64.682 6.070 -9.679 623 1HE MET 86 HE3 MET 86 62.985 7.215 -10.447 624 2HE MET 86 HE2 MET 86 61.520 7.727 -9.613 625 3HE MET 86 HE1 MET 86 63.093 8.245 -9.013 626 H LYS 87 HN LYS 87 66.856 5.124 -9.398 627 HA LYS 87 HA LYS 87 67.281 6.750 -11.868 628 1HB LYS 87 HB2 LYS 87 66.923 7.422 -9.055 629 2HB LYS 87 HB1 LYS 87 68.408 8.120 -9.703 630 1HG LYS 87 HG2 LYS 87 67.293 9.496 -11.153 631 2HG LYS 87 HG1 LYS 87 66.008 8.321 -11.440 632 1HD LYS 87 HD2 LYS 87 65.383 8.824 -8.932 633 2HD LYS 87 HD1 LYS 87 66.286 10.314 -9.211 634 1HE LYS 87 HE2 LYS 87 64.545 9.811 -11.453 635 2HE LYS 87 HE1 LYS 87 63.611 9.763 -9.958 636 1HZ LYS 87 HZ2 LYS 87 64.993 11.885 -9.425 637 2HZ LYS 87 HZ1 LYS 87 65.156 11.973 -11.113 638 3HZ LYS 87 HZ3 LYS 87 63.613 11.988 -10.410 639 H GLU 88 HN GLU 88 68.816 4.987 -12.532 640 HA GLU 88 HA GLU 88 71.168 4.350 -11.061 641 1HB GLU 88 HB2 GLU 88 72.060 3.528 -13.165 642 2HB GLU 88 HB1 GLU 88 70.343 3.128 -13.099 643 1HG GLU 88 HG2 GLU 88 70.318 5.642 -14.232 644 2HG GLU 88 HG1 GLU 88 71.773 4.928 -14.928 645 H ASP 89 HN ASP 89 73.119 5.404 -10.853 646 HA ASP 89 HA ASP 89 74.681 7.151 -10.980 647 1HB ASP 89 HB2 ASP 89 73.424 7.123 -13.696 648 2HB ASP 89 HB1 ASP 89 74.436 8.501 -13.262 649 H ALA 90 HN ALA 90 72.240 7.632 -9.601 650 HA ALA 90 HA ALA 90 72.311 10.455 -9.302 651 1HB ALA 90 HB2 ALA 90 70.408 9.408 -11.335 652 2HB ALA 90 HB1 ALA 90 69.786 10.632 -10.229 653 3HB ALA 90 HB3 ALA 90 71.190 10.986 -11.235 No H/Q in entry = 653 Start of MODEL 29 1 1H ALA 1 HT3 ALA 1 68.451 8.810 14.892 2 2H ALA 1 HT2 ALA 1 67.330 7.845 14.057 3 3H ALA 1 HT1 ALA 1 68.437 7.131 15.130 4 HA ALA 1 HA ALA 1 70.152 7.212 13.679 5 1HB ALA 1 HB2 ALA 1 68.290 5.959 12.592 6 2HB ALA 1 HB1 ALA 1 67.790 7.448 11.790 7 3HB ALA 1 HB3 ALA 1 69.358 6.729 11.417 8 H SER 2 HN SER 2 70.391 8.321 11.102 9 HA SER 2 HA SER 2 70.677 11.203 11.807 10 1HB SER 2 HB2 SER 2 72.339 9.293 10.406 11 2HB SER 2 HB1 SER 2 71.996 10.676 9.371 12 HG SER 2 HG SER 2 73.079 11.939 10.689 13 H MET 3 HN MET 3 70.205 12.783 10.070 14 HA MET 3 HA MET 3 67.937 11.837 8.369 15 1HB MET 3 HB2 MET 3 67.902 13.836 10.208 16 2HB MET 3 HB1 MET 3 68.360 14.745 8.767 17 1HG MET 3 HG2 MET 3 65.989 14.777 8.758 18 2HG MET 3 HG1 MET 3 66.418 13.522 7.596 19 1HE MET 3 HE1 MET 3 65.465 14.655 10.821 20 2HE MET 3 HE3 MET 3 63.867 13.900 10.760 21 3HE MET 3 HE2 MET 3 65.094 13.283 11.863 22 H THR 4 HN THR 4 68.279 11.831 6.196 23 HA THR 4 HA THR 4 70.425 13.613 5.118 24 HB THR 4 HB THR 4 70.994 11.802 3.512 25 HG1 THR 4 HG1 THR 4 69.034 10.696 3.550 26 1HG2 THR 4 HG21 THR 4 71.687 12.001 6.199 27 2HG2 THR 4 HG23 THR 4 71.289 10.295 5.993 28 3HG2 THR 4 HG22 THR 4 72.527 11.041 4.981 29 H ASP 5 HN ASP 5 69.905 14.654 3.198 30 HA ASP 5 HA ASP 5 67.205 15.069 2.499 31 1HB ASP 5 HB2 ASP 5 69.777 15.441 0.962 32 2HB ASP 5 HB1 ASP 5 68.214 15.849 0.253 33 H GLN 6 HN GLN 6 69.293 12.430 1.721 34 HA GLN 6 HA GLN 6 68.100 11.541 -0.713 35 1HB GLN 6 HB2 GLN 6 69.371 9.942 1.530 36 2HB GLN 6 HB1 GLN 6 68.988 9.300 -0.068 37 1HG GLN 6 HG2 GLN 6 70.552 11.816 -0.048 38 2HG GLN 6 HG1 GLN 6 71.394 10.394 0.566 39 1HE2 GLN 6 HE22 GLN 6 72.089 9.401 -2.735 40 2HE2 GLN 6 HE21 GLN 6 72.662 9.655 -1.159 41 H GLN 7 HN GLN 7 67.303 10.806 2.685 42 HA GLN 7 HA GLN 7 65.094 9.063 1.987 43 1HB GLN 7 HB2 GLN 7 66.024 10.395 4.523 44 2HB GLN 7 HB1 GLN 7 64.476 9.554 4.470 45 1HG GLN 7 HG2 GLN 7 65.851 7.799 5.093 46 2HG GLN 7 HG1 GLN 7 65.950 7.649 3.337 47 1HE2 GLN 7 HE22 GLN 7 69.255 8.682 5.454 48 2HE2 GLN 7 HE21 GLN 7 67.771 8.392 6.225 49 H ALA 8 HN ALA 8 65.499 12.459 2.049 50 HA ALA 8 HA ALA 8 62.778 13.196 2.701 51 1HB ALA 8 HB1 ALA 8 65.228 14.540 1.920 52 2HB ALA 8 HB3 ALA 8 63.847 15.196 1.039 53 3HB ALA 8 HB2 ALA 8 63.842 15.180 2.803 54 H GLU 9 HN GLU 9 64.536 12.788 -0.383 55 HA GLU 9 HA GLU 9 62.072 13.218 -1.920 56 1HB GLU 9 HB2 GLU 9 64.916 13.117 -2.462 57 2HB GLU 9 HB1 GLU 9 64.032 12.096 -3.598 58 1HG GLU 9 HG2 GLU 9 62.707 13.894 -4.366 59 2HG GLU 9 HG1 GLU 9 63.103 14.897 -2.969 60 H ALA 10 HN ALA 10 63.973 10.516 -0.733 61 HA ALA 10 HA ALA 10 62.871 8.476 -2.407 62 1HB ALA 10 HB1 ALA 10 63.928 8.353 0.432 63 2HB ALA 10 HB3 ALA 10 63.535 6.933 -0.537 64 3HB ALA 10 HB2 ALA 10 64.831 8.018 -1.046 65 H ARG 11 HN ARG 11 62.004 9.226 0.993 66 HA ARG 11 HA ARG 11 59.614 7.662 0.971 67 1HB ARG 11 HB2 ARG 11 60.101 10.134 2.653 68 2HB ARG 11 HB1 ARG 11 59.067 8.760 3.041 69 1HG ARG 11 HG2 ARG 11 61.188 7.322 2.890 70 2HG ARG 11 HG1 ARG 11 62.084 8.842 2.917 71 1HD ARG 11 HD2 ARG 11 60.181 7.809 5.037 72 2HD ARG 11 HD1 ARG 11 61.922 8.042 5.194 73 HE ARG 11 HE ARG 11 60.409 10.470 4.521 74 1HH1 ARG 11 HH21 ARG 11 61.007 8.361 7.131 75 2HH1 ARG 11 HH22 ARG 11 61.431 9.616 8.247 76 1HH2 ARG 11 HH11 ARG 11 61.287 12.140 5.873 77 2HH2 ARG 11 HH12 ARG 11 61.587 11.755 7.536 78 H ALA 12 HN ALA 12 60.185 11.109 0.291 79 HA ALA 12 HA ALA 12 57.459 11.871 -0.005 80 1HB ALA 12 HB2 ALA 12 60.004 12.932 -1.248 81 2HB ALA 12 HB1 ALA 12 58.431 13.680 -1.525 82 3HB ALA 12 HB3 ALA 12 59.098 13.607 0.107 83 H PHE 13 HN PHE 13 59.599 10.087 -2.111 84 HA PHE 13 HA PHE 13 57.817 10.416 -4.436 85 1HB PHE 13 HB2 PHE 13 60.322 10.261 -4.660 86 2HB PHE 13 HB1 PHE 13 60.212 8.585 -4.121 87 HD1 PHE 13 HD2 PHE 13 58.877 6.932 -5.460 88 HD2 PHE 13 HD1 PHE 13 59.733 10.888 -6.888 89 HE1 PHE 13 HE2 PHE 13 58.303 6.222 -7.767 90 HE2 PHE 13 HE1 PHE 13 59.160 10.182 -9.196 91 HZ PHE 13 HZ PHE 13 58.445 7.848 -9.635 92 H LEU 14 HN LEU 14 58.417 8.122 -1.864 93 HA LEU 14 HA LEU 14 56.763 6.062 -3.205 94 1HB LEU 14 HB2 LEU 14 57.973 5.925 -0.436 95 2HB LEU 14 HB1 LEU 14 57.453 4.584 -1.458 96 HG LEU 14 HG LEU 14 59.578 6.473 -2.436 97 1HD1 LEU 14 HD13 LEU 14 60.126 5.575 -0.095 98 2HD1 LEU 14 HD12 LEU 14 60.177 3.975 -0.840 99 3HD1 LEU 14 HD11 LEU 14 61.303 5.229 -1.362 100 1HD2 LEU 14 HD23 LEU 14 58.288 4.428 -3.641 101 2HD2 LEU 14 HD22 LEU 14 59.966 4.832 -4.001 102 3HD2 LEU 14 HD21 LEU 14 59.596 3.526 -2.876 103 H SER 15 HN SER 15 54.716 5.457 -2.451 104 HA SER 15 HA SER 15 53.440 7.407 -0.603 105 1HB SER 15 HB2 SER 15 51.395 5.853 -1.499 106 2HB SER 15 HB1 SER 15 51.952 7.303 -2.329 107 HG SER 15 HG SER 15 51.808 5.250 -3.572 108 H GLU 16 HN GLU 16 51.649 6.322 0.812 109 HA GLU 16 HA GLU 16 52.906 4.575 2.675 110 1HB GLU 16 HB2 GLU 16 50.518 6.026 2.547 111 2HB GLU 16 HB1 GLU 16 50.005 4.344 2.692 112 1HG GLU 16 HG2 GLU 16 51.674 4.125 4.602 113 2HG GLU 16 HG1 GLU 16 51.838 5.881 4.544 114 H GLU 17 HN GLU 17 50.617 3.894 0.034 115 HA GLU 17 HA GLU 17 50.250 1.126 0.593 116 1HB GLU 17 HB2 GLU 17 49.466 0.944 -1.708 117 2HB GLU 17 HB1 GLU 17 48.872 2.451 -1.010 118 1HG GLU 17 HG2 GLU 17 50.044 3.714 -2.474 119 2HG GLU 17 HG1 GLU 17 51.504 2.746 -2.258 120 H MET 18 HN MET 18 53.007 2.797 -0.607 121 HA MET 18 HA MET 18 54.120 0.312 -1.797 122 1HB MET 18 HB2 MET 18 54.678 3.212 -2.049 123 2HB MET 18 HB1 MET 18 56.091 2.157 -2.099 124 1HG MET 18 HG2 MET 18 55.056 0.826 -3.888 125 2HG MET 18 HG1 MET 18 53.616 1.843 -3.825 126 1HE MET 18 HE3 MET 18 55.565 1.101 -6.287 127 2HE MET 18 HE2 MET 18 56.810 2.287 -6.675 128 3HE MET 18 HE1 MET 18 57.018 1.226 -5.283 129 H ILE 19 HN ILE 19 55.390 2.879 0.359 130 HA ILE 19 HA ILE 19 57.566 1.502 1.408 131 HB ILE 19 HB ILE 19 55.669 3.371 2.857 132 1HG1 ILE 19 HG12 ILE 19 58.287 4.403 2.176 133 2HG1 ILE 19 HG11 ILE 19 57.485 3.779 0.733 134 1HG2 ILE 19 HG22 ILE 19 57.093 1.958 4.374 135 2HG2 ILE 19 HG21 ILE 19 58.517 2.616 3.571 136 3HG2 ILE 19 HG23 ILE 19 57.446 3.683 4.477 137 1HD1 ILE 19 HD11 ILE 19 55.664 5.285 2.450 138 2HD1 ILE 19 HD13 ILE 19 57.026 6.261 1.897 139 3HD1 ILE 19 HD12 ILE 19 55.979 5.461 0.724 140 H ALA 20 HN ALA 20 54.165 0.999 2.118 141 HA ALA 20 HA ALA 20 54.533 -0.543 4.521 142 1HB ALA 20 HB1 ALA 20 52.354 0.360 3.001 143 2HB ALA 20 HB3 ALA 20 52.247 -1.399 2.948 144 3HB ALA 20 HB2 ALA 20 52.279 -0.564 4.500 145 H GLU 21 HN GLU 21 54.210 -1.471 1.091 146 HA GLU 21 HA GLU 21 54.326 -4.286 1.488 147 1HB GLU 21 HB2 GLU 21 54.757 -2.420 -0.776 148 2HB GLU 21 HB1 GLU 21 55.532 -3.997 -0.930 149 1HG GLU 21 HG2 GLU 21 53.510 -5.147 -0.909 150 2HG GLU 21 HG1 GLU 21 52.675 -3.870 -0.024 151 H PHE 22 HN PHE 22 56.957 -1.947 0.851 152 HA PHE 22 HA PHE 22 59.061 -3.896 0.920 153 1HB PHE 22 HB2 PHE 22 59.371 -1.010 1.760 154 2HB PHE 22 HB1 PHE 22 60.559 -2.053 0.978 155 HD1 PHE 22 HD1 PHE 22 58.911 -3.329 -1.131 156 HD2 PHE 22 HD2 PHE 22 59.045 0.749 0.212 157 HE1 PHE 22 HE1 PHE 22 58.119 -2.570 -3.355 158 HE2 PHE 22 HE2 PHE 22 58.252 1.507 -2.013 159 HZ PHE 22 HZ PHE 22 57.789 -0.153 -3.796 160 H LYS 23 HN LYS 23 57.436 -2.042 3.448 161 HA LYS 23 HA LYS 23 59.260 -2.471 5.569 162 1HB LYS 23 HB2 LYS 23 57.400 -0.976 5.899 163 2HB LYS 23 HB1 LYS 23 56.238 -2.262 5.569 164 1HG LYS 23 HG2 LYS 23 56.527 -1.774 8.019 165 2HG LYS 23 HG1 LYS 23 56.881 -3.446 7.583 166 1HD LYS 23 HD2 LYS 23 59.118 -3.227 8.013 167 2HD LYS 23 HD1 LYS 23 59.167 -1.556 7.452 168 1HE LYS 23 HE2 LYS 23 59.075 -0.848 9.584 169 2HE LYS 23 HE1 LYS 23 57.504 -1.629 9.763 170 1HZ LYS 23 HZ1 LYS 23 59.724 -3.456 9.833 171 2HZ LYS 23 HZ3 LYS 23 59.751 -2.322 11.094 172 3HZ LYS 23 HZ2 LYS 23 58.395 -3.322 10.881 173 H ALA 24 HN ALA 24 56.879 -4.620 4.124 174 HA ALA 24 HA ALA 24 56.919 -6.614 6.197 175 1HB ALA 24 HB3 ALA 24 56.060 -6.507 3.335 176 2HB ALA 24 HB2 ALA 24 56.270 -8.093 4.078 177 3HB ALA 24 HB1 ALA 24 55.128 -6.939 4.770 178 H ALA 25 HN ALA 25 58.970 -5.985 3.399 179 HA ALA 25 HA ALA 25 60.381 -8.526 3.589 180 1HB ALA 25 HB2 ALA 25 60.155 -6.919 1.541 181 2HB ALA 25 HB1 ALA 25 61.515 -6.068 2.275 182 3HB ALA 25 HB3 ALA 25 61.684 -7.758 1.798 183 H PHE 26 HN PHE 26 60.960 -5.207 4.713 184 HA PHE 26 HA PHE 26 63.613 -5.575 5.660 185 1HB PHE 26 HB2 PHE 26 62.214 -3.404 5.494 186 2HB PHE 26 HB1 PHE 26 61.586 -3.850 7.081 187 HD1 PHE 26 HD1 PHE 26 64.752 -3.247 5.194 188 HD2 PHE 26 HD2 PHE 26 62.849 -3.454 9.039 189 HE1 PHE 26 HE1 PHE 26 66.804 -2.352 6.259 190 HE2 PHE 26 HE2 PHE 26 64.902 -2.559 10.104 191 HZ PHE 26 HZ PHE 26 66.881 -2.008 8.714 192 H ASP 27 HN ASP 27 60.499 -6.025 7.358 193 HA ASP 27 HA ASP 27 61.469 -6.705 9.898 194 1HB ASP 27 HB2 ASP 27 59.002 -6.660 8.761 195 2HB ASP 27 HB1 ASP 27 59.255 -8.400 8.894 196 H MET 28 HN MET 28 61.771 -8.473 6.944 197 HA MET 28 HA MET 28 62.223 -11.064 8.199 198 1HB MET 28 HB2 MET 28 61.604 -11.522 6.056 199 2HB MET 28 HB1 MET 28 62.126 -9.949 5.469 200 1HG MET 28 HG2 MET 28 63.456 -11.747 4.442 201 2HG MET 28 HG1 MET 28 64.472 -10.734 5.468 202 1HE MET 28 HE3 MET 28 66.194 -12.293 5.382 203 2HE MET 28 HE2 MET 28 66.198 -11.893 7.097 204 3HE MET 28 HE1 MET 28 66.425 -13.564 6.590 205 H PHE 29 HN PHE 29 64.267 -8.445 6.928 206 HA PHE 29 HA PHE 29 66.726 -9.918 7.551 207 1HB PHE 29 HB2 PHE 29 66.304 -7.033 6.718 208 2HB PHE 29 HB1 PHE 29 67.861 -7.860 6.795 209 HD1 PHE 29 HD2 PHE 29 64.518 -7.927 5.150 210 HD2 PHE 29 HD1 PHE 29 68.597 -9.264 5.022 211 HE1 PHE 29 HE2 PHE 29 64.146 -8.845 2.877 212 HE2 PHE 29 HE1 PHE 29 68.226 -10.179 2.752 213 HZ PHE 29 HZ PHE 29 66.001 -9.971 1.678 214 H ASP 30 HN ASP 30 64.569 -7.861 9.263 215 HA ASP 30 HA ASP 30 66.683 -7.287 11.293 216 1HB ASP 30 HB2 ASP 30 65.129 -5.565 12.153 217 2HB ASP 30 HB1 ASP 30 65.500 -5.298 10.449 218 H ALA 31 HN ALA 31 65.708 -9.898 11.231 219 HA ALA 31 HA ALA 31 63.460 -10.274 13.010 220 1HB ALA 31 HB1 ALA 31 65.724 -12.149 12.263 221 2HB ALA 31 HB3 ALA 31 64.261 -12.626 13.124 222 3HB ALA 31 HB2 ALA 31 64.157 -12.044 11.462 223 H ASP 32 HN ASP 32 66.765 -9.460 13.498 224 HA ASP 32 HA ASP 32 67.069 -10.576 16.150 225 1HB ASP 32 HB2 ASP 32 68.992 -9.884 14.721 226 2HB ASP 32 HB1 ASP 32 68.492 -8.203 14.908 227 H GLY 33 HN GLY 33 65.399 -7.846 14.886 228 1HA GLY 33 HA2 GLY 33 63.841 -6.531 16.147 229 2HA GLY 33 HA1 GLY 33 64.622 -7.073 17.633 230 H GLY 34 HN GLY 34 66.852 -6.101 15.253 231 1HA GLY 34 HA2 GLY 34 67.578 -3.752 16.857 232 2HA GLY 34 HA1 GLY 34 68.464 -4.367 15.461 233 H GLY 35 HN GLY 35 66.657 -4.334 13.444 234 1HA GLY 35 HA2 GLY 35 64.966 -2.861 12.405 235 2HA GLY 35 HA1 GLY 35 65.592 -1.543 13.398 236 H ASP 36 HN ASP 36 68.235 -3.273 12.433 237 HA ASP 36 HA ASP 36 68.490 -2.017 9.769 238 1HB ASP 36 HB2 ASP 36 70.819 -1.146 10.614 239 2HB ASP 36 HB1 ASP 36 69.370 -0.196 10.947 240 H ILE 37 HN ILE 37 69.833 -3.226 8.443 241 HA ILE 37 HA ILE 37 71.392 -5.406 9.767 242 HB ILE 37 HB ILE 37 70.625 -6.997 8.255 243 1HG1 ILE 37 HG12 ILE 37 71.251 -5.647 6.227 244 2HG1 ILE 37 HG11 ILE 37 69.732 -6.522 6.041 245 1HG2 ILE 37 HG23 ILE 37 68.748 -5.803 9.633 246 2HG2 ILE 37 HG22 ILE 37 68.224 -5.201 8.060 247 3HG2 ILE 37 HG21 ILE 37 68.293 -6.936 8.363 248 1HD1 ILE 37 HD12 ILE 37 68.713 -4.262 7.010 249 2HD1 ILE 37 HD11 ILE 37 70.199 -3.585 6.346 250 3HD1 ILE 37 HD13 ILE 37 69.071 -4.436 5.292 251 H SER 38 HN SER 38 73.456 -5.809 8.900 252 HA SER 38 HA SER 38 74.923 -3.738 7.752 253 1HB SER 38 HB2 SER 38 75.255 -6.732 7.618 254 2HB SER 38 HB1 SER 38 76.377 -5.669 6.774 255 HG SER 38 HG SER 38 75.943 -6.042 9.505 256 H THR 39 HN THR 39 75.350 -3.076 5.600 257 HA THR 39 HA THR 39 73.249 -3.525 3.707 258 HB THR 39 HB THR 39 74.336 -2.029 2.325 259 HG1 THR 39 HG1 THR 39 76.747 -3.085 3.380 260 1HG2 THR 39 HG22 THR 39 74.491 -1.514 5.060 261 2HG2 THR 39 HG21 THR 39 76.097 -1.105 4.457 262 3HG2 THR 39 HG23 THR 39 74.671 -0.330 3.768 263 H LYS 40 HN LYS 40 75.979 -5.405 4.522 264 HA LYS 40 HA LYS 40 76.537 -6.627 1.998 265 1HB LYS 40 HB2 LYS 40 77.559 -8.417 3.272 266 2HB LYS 40 HB1 LYS 40 77.913 -6.900 4.099 267 1HG LYS 40 HG2 LYS 40 76.327 -7.318 5.799 268 2HG LYS 40 HG1 LYS 40 75.506 -8.555 4.849 269 1HD LYS 40 HD2 LYS 40 77.201 -10.140 5.203 270 2HD LYS 40 HD1 LYS 40 78.386 -8.910 5.645 271 1HE LYS 40 HE2 LYS 40 75.964 -9.052 7.356 272 2HE LYS 40 HE1 LYS 40 77.073 -10.419 7.473 273 1HZ LYS 40 HZ3 LYS 40 78.242 -7.745 7.490 274 2HZ LYS 40 HZ2 LYS 40 77.391 -8.220 8.881 275 3HZ LYS 40 HZ1 LYS 40 78.710 -9.139 8.336 276 H ALA 41 HN ALA 41 73.999 -7.080 4.370 277 HA ALA 41 HA ALA 41 72.953 -9.463 2.972 278 1HB ALA 41 HB3 ALA 41 72.920 -9.000 5.553 279 2HB ALA 41 HB2 ALA 41 71.514 -8.005 5.177 280 3HB ALA 41 HB1 ALA 41 71.504 -9.727 4.796 281 H LEU 42 HN LEU 42 72.514 -6.024 3.038 282 HA LEU 42 HA LEU 42 69.846 -5.716 2.259 283 1HB LEU 42 HB2 LEU 42 72.315 -4.173 1.973 284 2HB LEU 42 HB1 LEU 42 71.239 -3.937 0.602 285 HG LEU 42 HG LEU 42 70.495 -2.277 2.046 286 1HD1 LEU 42 HD12 LEU 42 68.760 -4.307 1.633 287 2HD1 LEU 42 HD11 LEU 42 68.781 -4.283 3.398 288 3HD1 LEU 42 HD13 LEU 42 68.331 -2.832 2.500 289 1HD2 LEU 42 HD23 LEU 42 71.370 -4.178 4.179 290 2HD2 LEU 42 HD22 LEU 42 71.743 -2.466 3.977 291 3HD2 LEU 42 HD21 LEU 42 70.163 -2.958 4.584 292 H GLY 43 HN GLY 43 72.603 -6.809 0.349 293 1HA GLY 43 HA2 GLY 43 71.501 -6.672 -2.240 294 2HA GLY 43 HA1 GLY 43 72.647 -7.910 -1.727 295 H THR 44 HN THR 44 71.158 -9.249 0.203 296 HA THR 44 HA THR 44 69.509 -10.962 -1.394 297 HB THR 44 HB THR 44 69.821 -10.613 1.598 298 HG1 THR 44 HG1 THR 44 70.435 -12.884 0.077 299 1HG2 THR 44 HG22 THR 44 67.651 -11.854 0.208 300 2HG2 THR 44 HG21 THR 44 68.631 -13.120 0.946 301 3HG2 THR 44 HG23 THR 44 67.963 -11.828 1.942 302 H VAL 45 HN VAL 45 68.868 -8.112 0.529 303 HA VAL 45 HA VAL 45 66.014 -8.380 0.691 304 HB VAL 45 HB VAL 45 67.637 -5.821 0.601 305 1HG1 VAL 45 HG11 VAL 45 64.848 -6.376 0.850 306 2HG1 VAL 45 HG13 VAL 45 65.425 -5.795 2.411 307 3HG1 VAL 45 HG12 VAL 45 65.662 -4.815 0.964 308 1HG2 VAL 45 HG22 VAL 45 68.331 -7.676 2.290 309 2HG2 VAL 45 HG21 VAL 45 68.044 -6.052 2.914 310 3HG2 VAL 45 HG23 VAL 45 66.812 -7.298 3.099 311 H MET 46 HN MET 46 68.156 -6.781 -1.662 312 HA MET 46 HA MET 46 66.077 -5.685 -3.286 313 1HB MET 46 HB2 MET 46 68.905 -6.545 -3.959 314 2HB MET 46 HB1 MET 46 67.852 -5.687 -5.087 315 1HG MET 46 HG2 MET 46 67.597 -3.865 -3.390 316 2HG MET 46 HG1 MET 46 68.773 -4.698 -2.372 317 1HE MET 46 HE3 MET 46 67.913 -3.077 -5.628 318 2HE MET 46 HE2 MET 46 68.495 -1.765 -4.608 319 3HE MET 46 HE1 MET 46 69.372 -2.183 -6.078 320 H ARG 47 HN ARG 47 67.828 -8.794 -3.508 321 HA ARG 47 HA ARG 47 66.423 -9.709 -5.842 322 1HB ARG 47 HB2 ARG 47 68.598 -10.635 -4.755 323 2HB ARG 47 HB1 ARG 47 67.506 -11.558 -3.722 324 1HG ARG 47 HG2 ARG 47 66.560 -12.713 -5.570 325 2HG ARG 47 HG1 ARG 47 67.241 -11.574 -6.731 326 1HD ARG 47 HD2 ARG 47 69.215 -12.673 -6.808 327 2HD ARG 47 HD1 ARG 47 69.286 -12.825 -5.052 328 HE ARG 47 HE ARG 47 68.442 -15.008 -5.289 329 1HH1 ARG 47 HH21 ARG 47 65.910 -15.125 -6.220 330 2HH1 ARG 47 HH22 ARG 47 65.973 -15.518 -7.906 331 1HH2 ARG 47 HH11 ARG 47 69.307 -14.633 -8.260 332 2HH2 ARG 47 HH12 ARG 47 67.895 -15.239 -9.061 333 H MET 48 HN MET 48 65.604 -9.604 -2.462 334 HA MET 48 HA MET 48 63.549 -11.642 -2.549 335 1HB MET 48 HB2 MET 48 64.725 -9.950 -0.584 336 2HB MET 48 HB1 MET 48 62.984 -9.670 -0.548 337 1HG MET 48 HG2 MET 48 62.558 -12.051 -0.289 338 2HG MET 48 HG1 MET 48 64.273 -12.413 -0.483 339 1HE MET 48 HE2 MET 48 61.586 -10.670 1.234 340 2HE MET 48 HE1 MET 48 61.968 -10.629 2.953 341 3HE MET 48 HE3 MET 48 62.610 -9.387 1.871 342 H LEU 49 HN LEU 49 63.542 -8.098 -2.905 343 HA LEU 49 HA LEU 49 60.672 -7.881 -3.122 344 1HB LEU 49 HB2 LEU 49 62.464 -5.928 -4.516 345 2HB LEU 49 HB1 LEU 49 61.026 -5.630 -3.542 346 HG LEU 49 HG LEU 49 63.816 -6.286 -2.596 347 1HD1 LEU 49 HD13 LEU 49 61.943 -3.983 -2.499 348 2HD1 LEU 49 HD12 LEU 49 62.893 -4.279 -1.044 349 3HD1 LEU 49 HD11 LEU 49 63.704 -3.999 -2.585 350 1HD2 LEU 49 HD22 LEU 49 61.293 -7.118 -1.434 351 2HD2 LEU 49 HD21 LEU 49 62.933 -7.458 -0.879 352 3HD2 LEU 49 HD23 LEU 49 62.116 -5.982 -0.365 353 H GLY 50 HN GLY 50 63.242 -7.785 -5.622 354 1HA GLY 50 HA2 GLY 50 62.186 -9.506 -7.486 355 2HA GLY 50 HA1 GLY 50 61.263 -8.029 -7.762 356 H GLN 51 HN GLN 51 63.444 -6.226 -7.072 357 HA GLN 51 HA GLN 51 64.673 -5.960 -9.635 358 1HB GLN 51 HB2 GLN 51 65.320 -4.784 -6.926 359 2HB GLN 51 HB1 GLN 51 66.238 -4.370 -8.374 360 1HG GLN 51 HG2 GLN 51 63.313 -4.237 -8.723 361 2HG GLN 51 HG1 GLN 51 63.958 -3.074 -7.563 362 1HE2 GLN 51 HE22 GLN 51 65.775 -1.224 -10.022 363 2HE2 GLN 51 HE21 GLN 51 65.655 -1.562 -8.363 364 H ASN 52 HN ASN 52 66.523 -6.856 -10.458 365 HA ASN 52 HA ASN 52 68.395 -8.200 -8.565 366 1HB ASN 52 HB2 ASN 52 68.571 -10.053 -10.332 367 2HB ASN 52 HB1 ASN 52 67.098 -10.032 -9.361 368 1HD2 ASN 52 HD22 ASN 52 65.572 -10.285 -12.604 369 2HD2 ASN 52 HD21 ASN 52 66.114 -11.208 -11.287 370 HA PRO 53 HA PRO 53 70.562 -5.615 -11.724 371 1HB PRO 53 HB2 PRO 53 71.913 -4.074 -9.891 372 2HB PRO 53 HB1 PRO 53 70.313 -3.660 -10.524 373 1HG PRO 53 HG2 PRO 53 71.048 -4.733 -7.841 374 2HG PRO 53 HG1 PRO 53 69.651 -3.749 -8.311 375 1HD PRO 53 HD2 PRO 53 69.638 -6.547 -7.858 376 2HD PRO 53 HD1 PRO 53 68.344 -5.605 -8.629 377 H THR 54 HN THR 54 73.163 -5.064 -11.420 378 HA THR 54 HA THR 54 74.375 -7.710 -10.951 379 HB THR 54 HB THR 54 76.474 -6.187 -11.664 380 HG1 THR 54 HG1 THR 54 75.828 -4.493 -12.896 381 1HG2 THR 54 HG23 THR 54 74.625 -7.922 -12.956 382 2HG2 THR 54 HG22 THR 54 74.956 -6.587 -14.059 383 3HG2 THR 54 HG21 THR 54 76.284 -7.562 -13.429 384 H LYS 55 HN LYS 55 76.050 -8.080 -9.424 385 HA LYS 55 HA LYS 55 75.805 -6.861 -6.896 386 1HB LYS 55 HB2 LYS 55 77.466 -8.853 -8.103 387 2HB LYS 55 HB1 LYS 55 78.502 -7.751 -7.192 388 1HG LYS 55 HG2 LYS 55 76.529 -8.027 -5.393 389 2HG LYS 55 HG1 LYS 55 76.359 -9.578 -6.218 390 1HD LYS 55 HD2 LYS 55 79.023 -8.550 -5.219 391 2HD LYS 55 HD1 LYS 55 77.962 -9.558 -4.234 392 1HE LYS 55 HE2 LYS 55 78.431 -11.436 -5.432 393 2HE LYS 55 HE1 LYS 55 78.418 -10.570 -6.969 394 1HZ LYS 55 HZ3 LYS 55 80.602 -9.559 -5.799 395 2HZ LYS 55 HZ2 LYS 55 80.623 -11.145 -5.188 396 3HZ LYS 55 HZ1 LYS 55 80.619 -10.878 -6.866 397 H GLU 56 HN GLU 56 77.940 -6.037 -9.601 398 HA GLU 56 HA GLU 56 79.662 -4.218 -8.321 399 1HB GLU 56 HB2 GLU 56 79.650 -3.023 -10.599 400 2HB GLU 56 HB1 GLU 56 80.117 -4.723 -10.597 401 1HG GLU 56 HG2 GLU 56 77.318 -4.736 -10.834 402 2HG GLU 56 HG1 GLU 56 77.869 -3.454 -11.914 403 H GLU 57 HN GLU 57 76.395 -3.641 -9.634 404 HA GLU 57 HA GLU 57 76.412 -0.829 -8.908 405 1HB GLU 57 HB2 GLU 57 74.523 -2.744 -10.108 406 2HB GLU 57 HB1 GLU 57 73.756 -1.513 -9.105 407 1HG GLU 57 HG2 GLU 57 73.947 -0.101 -10.851 408 2HG GLU 57 HG1 GLU 57 75.691 -0.124 -10.582 409 H LEU 58 HN LEU 58 75.653 -3.807 -7.268 410 HA LEU 58 HA LEU 58 73.986 -2.704 -5.199 411 1HB LEU 58 HB2 LEU 58 74.014 -5.093 -5.517 412 2HB LEU 58 HB1 LEU 58 75.761 -5.157 -5.282 413 HG LEU 58 HG LEU 58 75.398 -4.253 -2.953 414 1HD1 LEU 58 HD12 LEU 58 72.760 -3.921 -3.975 415 2HD1 LEU 58 HD11 LEU 58 72.676 -5.115 -2.679 416 3HD1 LEU 58 HD13 LEU 58 73.356 -3.518 -2.364 417 1HD2 LEU 58 HD23 LEU 58 74.305 -6.902 -3.882 418 2HD2 LEU 58 HD22 LEU 58 75.803 -6.567 -3.014 419 3HD2 LEU 58 HD21 LEU 58 74.257 -6.474 -2.171 420 H ASP 59 HN ASP 59 77.486 -3.478 -5.243 421 HA ASP 59 HA ASP 59 78.065 -2.479 -2.650 422 1HB ASP 59 HB2 ASP 59 79.746 -2.693 -5.155 423 2HB ASP 59 HB1 ASP 59 80.406 -2.124 -3.622 424 H ALA 60 HN ALA 60 78.238 -0.811 -5.811 425 HA ALA 60 HA ALA 60 79.071 1.715 -4.818 426 1HB ALA 60 HB2 ALA 60 78.493 0.703 -7.300 427 2HB ALA 60 HB1 ALA 60 77.135 1.800 -7.046 428 3HB ALA 60 HB3 ALA 60 78.789 2.410 -6.967 429 H ILE 61 HN ILE 61 75.867 0.245 -5.045 430 HA ILE 61 HA ILE 61 74.342 2.579 -4.404 431 HB ILE 61 HB ILE 61 73.869 -0.388 -4.167 432 1HG1 ILE 61 HG12 ILE 61 72.543 1.849 -5.729 433 2HG1 ILE 61 HG11 ILE 61 73.702 0.690 -6.374 434 1HG2 ILE 61 HG23 ILE 61 72.507 1.708 -2.664 435 2HG2 ILE 61 HG22 ILE 61 71.403 0.848 -3.737 436 3HG2 ILE 61 HG21 ILE 61 72.344 -0.044 -2.542 437 1HD1 ILE 61 HD11 ILE 61 71.312 -0.416 -4.978 438 2HD1 ILE 61 HD13 ILE 61 71.057 0.302 -6.569 439 3HD1 ILE 61 HD12 ILE 61 72.185 -1.040 -6.378 440 H ILE 62 HN ILE 62 75.569 -0.049 -2.304 441 HA ILE 62 HA ILE 62 74.640 0.873 0.168 442 HB ILE 62 HB ILE 62 77.362 -0.336 -0.409 443 1HG1 ILE 62 HG12 ILE 62 75.070 -1.940 0.611 444 2HG1 ILE 62 HG11 ILE 62 74.996 -1.450 -1.082 445 1HG2 ILE 62 HG21 ILE 62 77.052 0.695 1.860 446 2HG2 ILE 62 HG23 ILE 62 75.686 -0.388 2.114 447 3HG2 ILE 62 HG22 ILE 62 77.308 -1.048 1.910 448 1HD1 ILE 62 HD12 ILE 62 77.655 -2.323 -0.585 449 2HD1 ILE 62 HD11 ILE 62 76.575 -3.535 0.105 450 3HD1 ILE 62 HD13 ILE 62 76.437 -3.097 -1.598 451 H GLU 63 HN GLU 63 77.443 1.991 -1.699 452 HA GLU 63 HA GLU 63 78.489 3.724 0.344 453 1HB GLU 63 HB2 GLU 63 78.861 3.432 -2.610 454 2HB GLU 63 HB1 GLU 63 79.446 4.902 -1.833 455 1HG GLU 63 HG2 GLU 63 80.233 2.767 -0.158 456 2HG GLU 63 HG1 GLU 63 80.613 2.264 -1.806 457 H GLU 64 HN GLU 64 76.196 4.260 -2.326 458 HA GLU 64 HA GLU 64 75.946 7.107 -1.683 459 1HB GLU 64 HB2 GLU 64 74.441 5.279 -3.570 460 2HB GLU 64 HB1 GLU 64 74.081 6.996 -3.391 461 1HG GLU 64 HG2 GLU 64 76.934 6.293 -3.828 462 2HG GLU 64 HG1 GLU 64 75.853 6.062 -5.202 463 H VAL 65 HN VAL 65 74.721 4.312 -0.282 464 HA VAL 65 HA VAL 65 72.139 5.575 0.464 465 HB VAL 65 HB VAL 65 73.208 2.837 1.208 466 1HG1 VAL 65 HG12 VAL 65 71.015 4.316 2.155 467 2HG1 VAL 65 HG11 VAL 65 70.332 3.172 0.999 468 3HG1 VAL 65 HG13 VAL 65 71.287 2.586 2.360 469 1HG2 VAL 65 HG22 VAL 65 72.659 3.671 -1.336 470 2HG2 VAL 65 HG21 VAL 65 72.440 2.012 -0.778 471 3HG2 VAL 65 HG23 VAL 65 71.067 3.119 -0.815 472 H ASP 66 HN ASP 66 75.019 4.169 2.050 473 HA ASP 66 HA ASP 66 74.204 5.156 4.667 474 1HB ASP 66 HB2 ASP 66 76.519 3.662 3.540 475 2HB ASP 66 HB1 ASP 66 76.810 4.576 5.020 476 H GLU 67 HN GLU 67 73.928 7.447 4.037 477 HA GLU 67 HA GLU 67 76.134 9.029 3.085 478 1HB GLU 67 HB2 GLU 67 73.406 9.481 4.010 479 2HB GLU 67 HB1 GLU 67 74.505 10.741 4.575 480 1HG GLU 67 HG2 GLU 67 74.262 9.813 1.696 481 2HG GLU 67 HG1 GLU 67 73.537 11.283 2.350 482 H ASP 68 HN ASP 68 74.911 8.285 6.341 483 HA ASP 68 HA ASP 68 76.976 9.939 7.607 484 1HB ASP 68 HB2 ASP 68 76.069 8.795 9.716 485 2HB ASP 68 HB1 ASP 68 74.929 9.801 8.820 486 H GLY 69 HN GLY 69 77.130 7.053 6.044 487 1HA GLY 69 HA2 GLY 69 78.516 5.151 6.234 488 2HA GLY 69 HA1 GLY 69 79.709 6.343 6.757 489 H SER 70 HN SER 70 76.714 5.287 8.372 490 HA SER 70 HA SER 70 78.118 5.049 10.912 491 1HB SER 70 HB2 SER 70 75.872 4.159 11.691 492 2HB SER 70 HB1 SER 70 75.826 5.769 10.980 493 HG SER 70 HG SER 70 74.694 3.435 10.131 494 H GLY 71 HN GLY 71 77.961 3.046 8.251 495 1HA GLY 71 HA2 GLY 71 78.840 0.860 8.030 496 2HA GLY 71 HA1 GLY 71 78.998 0.782 9.786 497 H THR 72 HN THR 72 75.918 1.844 9.135 498 HA THR 72 HA THR 72 74.783 -0.876 8.790 499 HB THR 72 HB THR 72 73.149 -0.032 10.746 500 HG1 THR 72 HG1 THR 72 75.693 1.077 11.327 501 1HG2 THR 72 HG23 THR 72 74.941 -2.034 10.457 502 2HG2 THR 72 HG22 THR 72 75.714 -1.131 11.760 503 3HG2 THR 72 HG21 THR 72 74.071 -1.738 11.963 504 H ILE 73 HN ILE 73 72.540 -0.818 8.112 505 HA ILE 73 HA ILE 73 71.706 1.866 7.086 506 HB ILE 73 HB ILE 73 71.383 -0.892 5.897 507 1HG1 ILE 73 HG12 ILE 73 72.772 1.683 5.151 508 2HG1 ILE 73 HG11 ILE 73 73.452 0.059 5.256 509 1HG2 ILE 73 HG21 ILE 73 69.239 0.372 5.756 510 2HG2 ILE 73 HG23 ILE 73 70.101 1.709 4.995 511 3HG2 ILE 73 HG22 ILE 73 69.983 0.154 4.172 512 1HD1 ILE 73 HD12 ILE 73 71.385 0.931 3.222 513 2HD1 ILE 73 HD11 ILE 73 73.115 0.809 2.901 514 3HD1 ILE 73 HD13 ILE 73 72.186 -0.639 3.292 515 H ASP 74 HN ASP 74 69.349 2.200 6.995 516 HA ASP 74 HA ASP 74 67.838 0.448 8.889 517 1HB ASP 74 HB2 ASP 74 68.233 3.415 8.933 518 2HB ASP 74 HB1 ASP 74 66.664 2.777 9.427 519 H PHE 75 HN PHE 75 65.423 0.733 8.602 520 HA PHE 75 HA PHE 75 64.589 0.269 5.978 521 1HB PHE 75 HB2 PHE 75 63.273 0.012 8.189 522 2HB PHE 75 HB1 PHE 75 62.819 1.702 7.958 523 HD1 PHE 75 HD2 PHE 75 63.268 -1.183 5.608 524 HD2 PHE 75 HD1 PHE 75 60.642 1.852 7.134 525 HE1 PHE 75 HE2 PHE 75 61.528 -1.873 3.979 526 HE2 PHE 75 HE1 PHE 75 58.899 1.163 5.506 527 HZ PHE 75 HZ PHE 75 59.343 -0.700 3.928 528 H GLU 76 HN GLU 76 64.790 3.380 7.690 529 HA GLU 76 HA GLU 76 63.551 4.981 5.690 530 1HB GLU 76 HB2 GLU 76 64.644 6.867 6.745 531 2HB GLU 76 HB1 GLU 76 64.162 5.739 8.012 532 1HG GLU 76 HG2 GLU 76 66.524 4.740 7.781 533 2HG GLU 76 HG1 GLU 76 66.920 6.200 6.874 534 H GLU 77 HN GLU 77 66.913 3.892 6.054 535 HA GLU 77 HA GLU 77 67.783 5.388 3.690 536 1HB GLU 77 HB2 GLU 77 69.144 3.277 5.387 537 2HB GLU 77 HB1 GLU 77 69.920 4.108 4.039 538 1HG GLU 77 HG2 GLU 77 69.632 6.260 5.130 539 2HG GLU 77 HG1 GLU 77 68.694 5.516 6.427 540 H PHE 78 HN PHE 78 66.286 2.361 4.294 541 HA PHE 78 HA PHE 78 67.361 0.888 2.068 542 1HB PHE 78 HB2 PHE 78 66.302 -0.572 3.496 543 2HB PHE 78 HB1 PHE 78 65.089 0.612 3.973 544 HD1 PHE 78 HD2 PHE 78 63.271 1.215 2.280 545 HD2 PHE 78 HD1 PHE 78 65.799 -2.230 1.887 546 HE1 PHE 78 HE2 PHE 78 61.635 0.194 0.713 547 HE2 PHE 78 HE1 PHE 78 64.169 -3.253 0.321 548 HZ PHE 78 HZ PHE 78 62.086 -2.040 -0.266 549 H LEU 79 HN LEU 79 64.508 2.971 2.489 550 HA LEU 79 HA LEU 79 63.354 2.606 -0.070 551 1HB LEU 79 HB2 LEU 79 63.466 5.182 1.533 552 2HB LEU 79 HB1 LEU 79 62.290 4.780 0.279 553 HG LEU 79 HG LEU 79 62.671 3.160 2.811 554 1HD1 LEU 79 HD13 LEU 79 60.648 5.310 2.125 555 2HD1 LEU 79 HD12 LEU 79 60.496 4.211 3.496 556 3HD1 LEU 79 HD11 LEU 79 61.836 5.356 3.426 557 1HD2 LEU 79 HD22 LEU 79 61.399 2.596 0.363 558 2HD2 LEU 79 HD21 LEU 79 61.219 1.708 1.876 559 3HD2 LEU 79 HD23 LEU 79 60.098 3.011 1.479 560 H VAL 80 HN VAL 80 66.143 4.478 0.955 561 HA VAL 80 HA VAL 80 66.421 6.067 -1.424 562 HB VAL 80 HB VAL 80 68.416 5.116 0.648 563 1HG1 VAL 80 HG12 VAL 80 69.557 5.475 -1.518 564 2HG1 VAL 80 HG11 VAL 80 68.835 7.081 -1.628 565 3HG1 VAL 80 HG13 VAL 80 69.997 6.720 -0.350 566 1HG2 VAL 80 HG23 VAL 80 66.955 7.707 0.088 567 2HG2 VAL 80 HG22 VAL 80 66.889 6.722 1.549 568 3HG2 VAL 80 HG21 VAL 80 68.355 7.622 1.157 569 H MET 81 HN MET 81 67.493 2.826 -0.520 570 HA MET 81 HA MET 81 69.205 2.384 -2.777 571 1HB MET 81 HB2 MET 81 67.626 0.176 -1.476 572 2HB MET 81 HB1 MET 81 69.284 0.146 -2.079 573 1HG MET 81 HG2 MET 81 69.789 1.890 -0.250 574 2HG MET 81 HG1 MET 81 68.237 1.426 0.446 575 1HE MET 81 HE2 MET 81 71.529 0.398 -0.931 576 2HE MET 81 HE1 MET 81 71.955 0.738 0.744 577 3HE MET 81 HE3 MET 81 72.115 -0.903 0.102 578 H MET 82 HN MET 82 65.730 2.079 -2.291 579 HA MET 82 HA MET 82 65.219 0.609 -4.730 580 1HB MET 82 HB2 MET 82 63.466 2.253 -2.895 581 2HB MET 82 HB1 MET 82 62.839 1.452 -4.336 582 1HG MET 82 HG2 MET 82 64.373 0.011 -2.157 583 2HG MET 82 HG1 MET 82 62.613 0.097 -2.217 584 1HE MET 82 HE1 MET 82 65.356 -1.792 -2.569 585 2HE MET 82 HE3 MET 82 65.201 -2.949 -3.898 586 3HE MET 82 HE2 MET 82 65.876 -1.347 -4.192 587 H VAL 83 HN VAL 83 64.322 3.989 -3.932 588 HA VAL 83 HA VAL 83 63.751 4.801 -6.563 589 HB VAL 83 HB VAL 83 65.104 6.638 -4.590 590 1HG1 VAL 83 HG13 VAL 83 63.251 6.849 -6.909 591 2HG1 VAL 83 HG12 VAL 83 62.962 7.955 -5.567 592 3HG1 VAL 83 HG11 VAL 83 64.526 7.948 -6.384 593 1HG2 VAL 83 HG23 VAL 83 62.499 5.194 -4.359 594 2HG2 VAL 83 HG22 VAL 83 63.602 5.727 -3.091 595 3HG2 VAL 83 HG21 VAL 83 62.535 6.891 -3.877 596 H ARG 84 HN ARG 84 66.857 5.076 -4.819 597 HA ARG 84 HA ARG 84 68.409 6.280 -6.800 598 1HB ARG 84 HB2 ARG 84 69.018 4.234 -4.687 599 2HB ARG 84 HB1 ARG 84 70.269 4.676 -5.849 600 1HG ARG 84 HG2 ARG 84 69.865 7.089 -5.262 601 2HG ARG 84 HG1 ARG 84 68.785 6.540 -3.979 602 1HD ARG 84 HD2 ARG 84 70.941 6.894 -2.972 603 2HD ARG 84 HD1 ARG 84 70.708 5.149 -3.091 604 HE ARG 84 HE ARG 84 72.578 5.100 -4.509 605 1HH1 ARG 84 HH11 ARG 84 71.428 8.301 -4.108 606 2HH1 ARG 84 HH12 ARG 84 72.422 8.970 -5.358 607 1HH2 ARG 84 HH21 ARG 84 73.721 5.905 -6.330 608 2HH2 ARG 84 HH22 ARG 84 73.722 7.613 -6.616 609 H GLN 85 HN GLN 85 67.325 2.919 -6.609 610 HA GLN 85 HA GLN 85 68.959 2.054 -8.861 611 1HB GLN 85 HB2 GLN 85 67.427 0.790 -6.875 612 2HB GLN 85 HB1 GLN 85 66.617 0.407 -8.395 613 1HG GLN 85 HG2 GLN 85 69.181 0.029 -9.153 614 2HG GLN 85 HG1 GLN 85 69.321 -0.375 -7.443 615 1HE2 GLN 85 HE22 GLN 85 67.570 -3.001 -9.943 616 2HE2 GLN 85 HE21 GLN 85 68.359 -1.604 -10.496 617 H MET 86 HN MET 86 65.589 3.086 -8.412 618 HA MET 86 HA MET 86 65.056 2.717 -11.297 619 1HB MET 86 HB2 MET 86 62.771 3.203 -10.774 620 2HB MET 86 HB1 MET 86 63.361 2.177 -9.465 621 1HG MET 86 HG2 MET 86 63.998 4.532 -8.394 622 2HG MET 86 HG1 MET 86 62.691 5.090 -9.438 623 1HE MET 86 HE1 MET 86 61.291 5.920 -7.719 624 2HE MET 86 HE3 MET 86 60.226 4.981 -8.775 625 3HE MET 86 HE2 MET 86 60.020 4.916 -7.026 626 H LYS 87 HN LYS 87 67.007 4.754 -10.267 627 HA LYS 87 HA LYS 87 65.643 7.197 -11.331 628 1HB LYS 87 HB2 LYS 87 67.534 6.776 -9.076 629 2HB LYS 87 HB1 LYS 87 67.790 8.222 -10.052 630 1HG LYS 87 HG2 LYS 87 64.971 7.890 -9.531 631 2HG LYS 87 HG1 LYS 87 65.867 7.856 -8.011 632 1HD LYS 87 HD2 LYS 87 66.842 9.922 -9.842 633 2HD LYS 87 HD1 LYS 87 65.147 10.146 -9.404 634 1HE LYS 87 HE2 LYS 87 66.295 11.269 -7.683 635 2HE LYS 87 HE1 LYS 87 65.946 9.693 -6.972 636 1HZ LYS 87 HZ2 LYS 87 68.410 9.815 -8.471 637 2HZ LYS 87 HZ1 LYS 87 68.387 10.806 -7.093 638 3HZ LYS 87 HZ3 LYS 87 68.098 9.142 -6.943 639 H GLU 88 HN GLU 88 68.998 5.996 -10.919 640 HA GLU 88 HA GLU 88 69.427 6.398 -13.829 641 1HB GLU 88 HB2 GLU 88 70.183 8.357 -12.043 642 2HB GLU 88 HB1 GLU 88 71.655 7.395 -12.189 643 1HG GLU 88 HG2 GLU 88 71.320 7.517 -14.719 644 2HG GLU 88 HG1 GLU 88 70.100 8.751 -14.399 645 H ASP 89 HN ASP 89 71.612 5.467 -14.472 646 HA ASP 89 HA ASP 89 72.312 3.185 -12.666 647 1HB ASP 89 HB2 ASP 89 71.225 3.008 -15.198 648 2HB ASP 89 HB1 ASP 89 72.953 2.849 -15.515 649 H ALA 90 HN ALA 90 73.457 6.030 -13.240 650 HA ALA 90 HA ALA 90 76.270 5.085 -13.602 651 1HB ALA 90 HB1 ALA 90 75.001 6.604 -15.455 652 2HB ALA 90 HB3 ALA 90 75.622 7.871 -14.400 653 3HB ALA 90 HB2 ALA 90 76.732 6.718 -15.140 No H/Q in entry = 653 Start of MODEL 30 1 1H ALA 1 HT1 ALA 1 69.126 17.015 12.391 2 2H ALA 1 HT3 ALA 1 70.765 17.030 11.951 3 3H ALA 1 HT2 ALA 1 69.925 18.494 12.137 4 HA ALA 1 HA ALA 1 69.922 18.298 9.870 5 1HB ALA 1 HB1 ALA 1 69.784 15.345 10.464 6 2HB ALA 1 HB3 ALA 1 69.383 15.959 8.860 7 3HB ALA 1 HB2 ALA 1 70.993 16.226 9.529 8 H SER 2 HN SER 2 67.683 15.799 11.127 9 HA SER 2 HA SER 2 65.338 15.733 11.115 10 1HB SER 2 HB2 SER 2 66.058 18.438 11.711 11 2HB SER 2 HB1 SER 2 64.672 18.464 10.625 12 HG SER 2 HG SER 2 63.538 17.225 12.055 13 H MET 3 HN MET 3 63.903 15.281 9.481 14 HA MET 3 HA MET 3 63.181 15.009 7.261 15 1HB MET 3 HB2 MET 3 62.971 17.681 7.975 16 2HB MET 3 HB1 MET 3 63.835 17.744 6.438 17 1HG MET 3 HG2 MET 3 61.726 17.629 5.564 18 2HG MET 3 HG1 MET 3 61.944 15.900 5.832 19 1HE MET 3 HE1 MET 3 61.255 14.603 7.638 20 2HE MET 3 HE3 MET 3 59.714 14.840 8.473 21 3HE MET 3 HE2 MET 3 59.760 14.727 6.715 22 H THR 4 HN THR 4 65.672 14.005 7.452 23 HA THR 4 HA THR 4 67.814 15.090 6.058 24 HB THR 4 HB THR 4 68.019 12.570 5.171 25 HG1 THR 4 HG1 THR 4 66.883 11.425 7.054 26 1HG2 THR 4 HG22 THR 4 68.790 14.017 7.501 27 2HG2 THR 4 HG21 THR 4 68.338 12.389 8.006 28 3HG2 THR 4 HG23 THR 4 69.584 12.617 6.778 29 H ASP 5 HN ASP 5 68.434 15.147 3.836 30 HA ASP 5 HA ASP 5 66.284 15.668 1.985 31 1HB ASP 5 HB2 ASP 5 69.269 15.527 1.823 32 2HB ASP 5 HB1 ASP 5 68.345 15.480 0.319 33 H GLN 6 HN GLN 6 68.527 12.936 2.417 34 HA GLN 6 HA GLN 6 67.792 11.428 0.146 35 1HB GLN 6 HB2 GLN 6 69.139 10.937 2.681 36 2HB GLN 6 HB1 GLN 6 68.168 9.549 2.186 37 1HG GLN 6 HG2 GLN 6 69.742 8.998 0.678 38 2HG GLN 6 HG1 GLN 6 69.480 10.540 -0.140 39 1HE2 GLN 6 HE22 GLN 6 73.045 10.499 0.907 40 2HE2 GLN 6 HE21 GLN 6 72.079 9.615 -0.172 41 H GLN 7 HN GLN 7 66.314 11.490 3.392 42 HA GLN 7 HA GLN 7 64.231 9.597 2.619 43 1HB GLN 7 HB2 GLN 7 64.138 11.461 4.996 44 2HB GLN 7 HB1 GLN 7 63.398 9.869 4.827 45 1HG GLN 7 HG2 GLN 7 66.376 10.433 4.939 46 2HG GLN 7 HG1 GLN 7 65.409 9.732 6.237 47 1HE2 GLN 7 HE22 GLN 7 66.988 6.946 4.273 48 2HE2 GLN 7 HE21 GLN 7 67.597 8.281 5.126 49 H ALA 8 HN ALA 8 64.733 12.970 2.253 50 HA ALA 8 HA ALA 8 61.962 13.803 2.282 51 1HB ALA 8 HB2 ALA 8 64.570 14.993 1.652 52 2HB ALA 8 HB1 ALA 8 63.264 15.594 0.630 53 3HB ALA 8 HB3 ALA 8 63.147 15.732 2.384 54 H GLU 9 HN GLU 9 64.241 12.976 -0.342 55 HA GLU 9 HA GLU 9 62.140 13.210 -2.365 56 1HB GLU 9 HB2 GLU 9 64.495 13.727 -2.907 57 2HB GLU 9 HB1 GLU 9 64.939 12.057 -2.554 58 1HG GLU 9 HG2 GLU 9 63.904 11.233 -4.457 59 2HG GLU 9 HG1 GLU 9 62.742 12.558 -4.525 60 H ALA 10 HN ALA 10 63.643 10.639 -0.490 61 HA ALA 10 HA ALA 10 62.632 8.449 -2.065 62 1HB ALA 10 HB2 ALA 10 64.252 8.747 0.216 63 2HB ALA 10 HB1 ALA 10 62.861 7.805 0.752 64 3HB ALA 10 HB3 ALA 10 63.841 7.237 -0.600 65 H ARG 11 HN ARG 11 61.467 9.860 1.016 66 HA ARG 11 HA ARG 11 59.042 8.301 1.029 67 1HB ARG 11 HB2 ARG 11 60.336 9.890 2.857 68 2HB ARG 11 HB1 ARG 11 58.958 10.899 2.417 69 1HG ARG 11 HG2 ARG 11 57.410 9.097 2.946 70 2HG ARG 11 HG1 ARG 11 58.751 7.995 3.260 71 1HD ARG 11 HD2 ARG 11 59.510 9.478 5.103 72 2HD ARG 11 HD1 ARG 11 58.118 10.521 4.815 73 HE ARG 11 HE ARG 11 58.021 7.789 5.971 74 1HH1 ARG 11 HH21 ARG 11 55.623 7.327 5.044 75 2HH1 ARG 11 HH22 ARG 11 54.491 8.437 5.742 76 1HH2 ARG 11 HH11 ARG 11 56.926 10.666 6.800 77 2HH2 ARG 11 HH12 ARG 11 55.229 10.328 6.736 78 H ALA 12 HN ALA 12 59.984 11.264 -0.530 79 HA ALA 12 HA ALA 12 57.261 12.207 -0.983 80 1HB ALA 12 HB3 ALA 12 60.003 13.041 -1.798 81 2HB ALA 12 HB2 ALA 12 58.669 13.554 -2.831 82 3HB ALA 12 HB1 ALA 12 58.688 14.005 -1.125 83 H PHE 13 HN PHE 13 59.572 10.186 -2.706 84 HA PHE 13 HA PHE 13 57.931 10.175 -5.148 85 1HB PHE 13 HB2 PHE 13 60.385 10.027 -5.324 86 2HB PHE 13 HB1 PHE 13 60.363 8.532 -4.389 87 HD1 PHE 13 HD2 PHE 13 59.000 6.557 -5.298 88 HD2 PHE 13 HD1 PHE 13 60.035 9.990 -7.662 89 HE1 PHE 13 HE2 PHE 13 58.562 5.263 -7.368 90 HE2 PHE 13 HE1 PHE 13 59.599 8.696 -9.732 91 HZ PHE 13 HZ PHE 13 58.862 6.332 -9.584 92 H LEU 14 HN LEU 14 58.437 8.165 -2.310 93 HA LEU 14 HA LEU 14 56.803 5.992 -3.486 94 1HB LEU 14 HB2 LEU 14 57.924 6.102 -0.681 95 2HB LEU 14 HB1 LEU 14 57.464 4.677 -1.614 96 HG LEU 14 HG LEU 14 59.632 6.536 -2.578 97 1HD1 LEU 14 HD13 LEU 14 59.768 4.355 -0.511 98 2HD1 LEU 14 HD12 LEU 14 61.148 4.661 -1.565 99 3HD1 LEU 14 HD11 LEU 14 60.548 5.936 -0.505 100 1HD2 LEU 14 HD21 LEU 14 58.341 4.426 -3.759 101 2HD2 LEU 14 HD23 LEU 14 59.979 4.939 -4.166 102 3HD2 LEU 14 HD22 LEU 14 59.727 3.618 -3.026 103 H SER 15 HN SER 15 54.779 5.374 -2.606 104 HA SER 15 HA SER 15 53.467 7.507 -0.980 105 1HB SER 15 HB2 SER 15 52.398 7.095 -3.145 106 2HB SER 15 HB1 SER 15 52.280 5.374 -2.785 107 HG SER 15 HG SER 15 51.178 7.328 -1.070 108 H GLU 16 HN GLU 16 51.863 6.715 0.648 109 HA GLU 16 HA GLU 16 52.921 5.001 2.556 110 1HB GLU 16 HB2 GLU 16 50.251 6.062 1.957 111 2HB GLU 16 HB1 GLU 16 50.209 4.520 2.815 112 1HG GLU 16 HG2 GLU 16 52.250 6.111 4.011 113 2HG GLU 16 HG1 GLU 16 50.807 7.116 3.868 114 H GLU 17 HN GLU 17 51.139 4.136 -0.354 115 HA GLU 17 HA GLU 17 50.699 1.375 0.351 116 1HB GLU 17 HB2 GLU 17 50.613 2.981 -2.176 117 2HB GLU 17 HB1 GLU 17 50.634 1.221 -2.294 118 1HG GLU 17 HG2 GLU 17 48.747 2.456 -0.337 119 2HG GLU 17 HG1 GLU 17 48.341 2.567 -2.050 120 H MET 18 HN MET 18 53.217 2.997 -1.603 121 HA MET 18 HA MET 18 54.671 0.574 -2.156 122 1HB MET 18 HB2 MET 18 55.229 3.505 -2.366 123 2HB MET 18 HB1 MET 18 56.596 2.393 -2.431 124 1HG MET 18 HG2 MET 18 55.045 1.098 -4.143 125 2HG MET 18 HG1 MET 18 54.300 2.687 -4.332 126 1HE MET 18 HE1 MET 18 54.702 4.112 -5.557 127 2HE MET 18 HE3 MET 18 56.241 4.937 -5.836 128 3HE MET 18 HE2 MET 18 55.632 3.782 -7.017 129 H ILE 19 HN ILE 19 55.550 3.272 0.038 130 HA ILE 19 HA ILE 19 57.680 2.087 1.365 131 HB ILE 19 HB ILE 19 55.484 3.884 2.411 132 1HG1 ILE 19 HG12 ILE 19 58.181 4.920 2.432 133 2HG1 ILE 19 HG11 ILE 19 57.801 4.271 0.836 134 1HG2 ILE 19 HG22 ILE 19 57.935 2.816 3.830 135 2HG2 ILE 19 HG21 ILE 19 57.098 4.281 4.342 136 3HG2 ILE 19 HG23 ILE 19 56.257 2.732 4.365 137 1HD1 ILE 19 HD13 ILE 19 55.712 5.601 0.802 138 2HD1 ILE 19 HD12 ILE 19 56.125 6.271 2.381 139 3HD1 ILE 19 HD11 ILE 19 57.132 6.632 0.979 140 H ALA 20 HN ALA 20 54.271 1.313 1.665 141 HA ALA 20 HA ALA 20 54.477 -0.214 4.100 142 1HB ALA 20 HB3 ALA 20 52.346 0.662 2.950 143 2HB ALA 20 HB2 ALA 20 52.486 -0.740 1.889 144 3HB ALA 20 HB1 ALA 20 52.273 -0.966 3.625 145 H GLU 21 HN GLU 21 54.535 -1.155 0.653 146 HA GLU 21 HA GLU 21 54.880 -3.954 1.118 147 1HB GLU 21 HB2 GLU 21 55.243 -2.094 -1.170 148 2HB GLU 21 HB1 GLU 21 56.130 -3.615 -1.257 149 1HG GLU 21 HG2 GLU 21 54.209 -4.892 -1.354 150 2HG GLU 21 HG1 GLU 21 53.262 -3.727 -0.429 151 H PHE 22 HN PHE 22 57.236 -1.315 0.722 152 HA PHE 22 HA PHE 22 59.561 -3.005 0.785 153 1HB PHE 22 HB2 PHE 22 59.323 -0.108 1.657 154 2HB PHE 22 HB1 PHE 22 60.806 -0.947 1.202 155 HD1 PHE 22 HD1 PHE 22 59.906 -2.526 -1.132 156 HD2 PHE 22 HD2 PHE 22 59.025 1.528 -0.019 157 HE1 PHE 22 HE1 PHE 22 59.494 -1.963 -3.512 158 HE2 PHE 22 HE2 PHE 22 58.615 2.092 -2.398 159 HZ PHE 22 HZ PHE 22 58.848 0.348 -4.145 160 H LYS 23 HN LYS 23 57.553 -1.565 3.292 161 HA LYS 23 HA LYS 23 59.307 -1.846 5.502 162 1HB LYS 23 HB2 LYS 23 57.142 -0.659 5.626 163 2HB LYS 23 HB1 LYS 23 56.295 -2.195 5.441 164 1HG LYS 23 HG2 LYS 23 56.354 -1.709 7.796 165 2HG LYS 23 HG1 LYS 23 57.517 -3.004 7.509 166 1HD LYS 23 HD2 LYS 23 59.368 -1.482 7.589 167 2HD LYS 23 HD1 LYS 23 58.297 -0.080 7.553 168 1HE LYS 23 HE2 LYS 23 57.901 -2.049 9.760 169 2HE LYS 23 HE1 LYS 23 59.323 -1.009 9.846 170 1HZ LYS 23 HZ1 LYS 23 56.813 0.285 9.145 171 2HZ LYS 23 HZ3 LYS 23 56.939 -0.281 10.740 172 3HZ LYS 23 HZ2 LYS 23 58.078 0.829 10.141 173 H ALA 24 HN ALA 24 56.990 -4.174 4.116 174 HA ALA 24 HA ALA 24 57.372 -6.267 5.975 175 1HB ALA 24 HB2 ALA 24 56.510 -6.086 3.129 176 2HB ALA 24 HB1 ALA 24 56.979 -7.679 3.724 177 3HB ALA 24 HB3 ALA 24 55.675 -6.792 4.513 178 H ALA 25 HN ALA 25 59.281 -5.387 3.111 179 HA ALA 25 HA ALA 25 61.002 -7.651 3.089 180 1HB ALA 25 HB2 ALA 25 61.181 -4.838 2.090 181 2HB ALA 25 HB1 ALA 25 62.662 -5.794 2.143 182 3HB ALA 25 HB3 ALA 25 61.284 -6.355 1.195 183 H PHE 26 HN PHE 26 61.406 -4.489 4.714 184 HA PHE 26 HA PHE 26 63.916 -5.060 5.918 185 1HB PHE 26 HB2 PHE 26 62.575 -2.831 5.815 186 2HB PHE 26 HB1 PHE 26 61.814 -3.403 7.300 187 HD1 PHE 26 HD1 PHE 26 65.125 -2.699 5.726 188 HD2 PHE 26 HD2 PHE 26 62.935 -3.260 9.380 189 HE1 PHE 26 HE1 PHE 26 67.107 -1.970 7.025 190 HE2 PHE 26 HE2 PHE 26 64.919 -2.529 10.680 191 HZ PHE 26 HZ PHE 26 67.003 -1.886 9.503 192 H ASP 27 HN ASP 27 60.603 -5.648 7.098 193 HA ASP 27 HA ASP 27 61.247 -6.577 9.687 194 1HB ASP 27 HB2 ASP 27 58.928 -6.249 8.417 195 2HB ASP 27 HB1 ASP 27 59.103 -7.984 8.147 196 H MET 28 HN MET 28 61.781 -8.068 6.599 197 HA MET 28 HA MET 28 62.044 -10.778 7.645 198 1HB MET 28 HB2 MET 28 62.712 -9.462 5.012 199 2HB MET 28 HB1 MET 28 63.178 -11.129 5.351 200 1HG MET 28 HG2 MET 28 60.679 -11.422 6.057 201 2HG MET 28 HG1 MET 28 60.417 -9.954 5.116 202 1HE MET 28 HE2 MET 28 62.565 -9.978 3.169 203 2HE MET 28 HE1 MET 28 62.173 -10.953 1.755 204 3HE MET 28 HE3 MET 28 60.995 -9.797 2.392 205 H PHE 29 HN PHE 29 64.212 -8.063 7.013 206 HA PHE 29 HA PHE 29 66.513 -9.749 7.883 207 1HB PHE 29 HB2 PHE 29 66.470 -7.013 6.572 208 2HB PHE 29 HB1 PHE 29 67.923 -7.923 6.988 209 HD1 PHE 29 HD2 PHE 29 64.702 -8.317 5.103 210 HD2 PHE 29 HD1 PHE 29 68.862 -9.350 5.392 211 HE1 PHE 29 HE2 PHE 29 64.548 -9.547 2.955 212 HE2 PHE 29 HE1 PHE 29 68.707 -10.576 3.247 213 HZ PHE 29 HZ PHE 29 66.551 -10.677 2.027 214 H ASP 30 HN ASP 30 64.356 -8.423 9.612 215 HA ASP 30 HA ASP 30 66.233 -6.811 11.297 216 1HB ASP 30 HB2 ASP 30 64.391 -5.498 12.058 217 2HB ASP 30 HB1 ASP 30 64.200 -5.610 10.309 218 H ALA 31 HN ALA 31 65.513 -9.797 11.176 219 HA ALA 31 HA ALA 31 64.115 -10.311 13.683 220 1HB ALA 31 HB3 ALA 31 64.122 -11.904 11.745 221 2HB ALA 31 HB2 ALA 31 65.835 -12.197 12.044 222 3HB ALA 31 HB1 ALA 31 64.638 -12.649 13.258 223 H ASP 32 HN ASP 32 67.166 -9.154 13.023 224 HA ASP 32 HA ASP 32 68.730 -10.669 14.926 225 1HB ASP 32 HB2 ASP 32 69.120 -7.929 13.694 226 2HB ASP 32 HB1 ASP 32 70.306 -8.700 14.746 227 H GLY 33 HN GLY 33 66.328 -8.256 15.251 228 1HA GLY 33 HA2 GLY 33 65.386 -7.472 17.286 229 2HA GLY 33 HA1 GLY 33 66.728 -8.215 18.158 230 H GLY 34 HN GLY 34 68.336 -6.666 15.857 231 1HA GLY 34 HA2 GLY 34 68.893 -4.360 17.602 232 2HA GLY 34 HA1 GLY 34 69.798 -4.806 16.154 233 H GLY 35 HN GLY 35 66.907 -5.058 14.918 234 1HA GLY 35 HA2 GLY 35 65.431 -3.640 13.749 235 2HA GLY 35 HA1 GLY 35 65.975 -2.314 14.778 236 H ASP 36 HN ASP 36 68.281 -4.237 12.991 237 HA ASP 36 HA ASP 36 68.423 -2.310 10.774 238 1HB ASP 36 HB2 ASP 36 70.961 -2.648 12.333 239 2HB ASP 36 HB1 ASP 36 70.457 -1.316 11.293 240 H ILE 37 HN ILE 37 70.065 -3.020 9.155 241 HA ILE 37 HA ILE 37 70.831 -5.887 9.486 242 HB ILE 37 HB ILE 37 69.030 -6.164 8.056 243 1HG1 ILE 37 HG12 ILE 37 71.312 -5.454 6.187 244 2HG1 ILE 37 HG11 ILE 37 70.984 -7.042 6.882 245 1HG2 ILE 37 HG21 ILE 37 69.696 -3.382 7.157 246 2HG2 ILE 37 HG23 ILE 37 68.704 -4.410 6.124 247 3HG2 ILE 37 HG22 ILE 37 68.167 -4.022 7.759 248 1HD1 ILE 37 HD13 ILE 37 68.812 -5.688 5.327 249 2HD1 ILE 37 HD12 ILE 37 70.139 -6.441 4.443 250 3HD1 ILE 37 HD11 ILE 37 69.139 -7.409 5.526 251 H SER 38 HN SER 38 72.503 -6.501 7.789 252 HA SER 38 HA SER 38 74.541 -4.351 7.702 253 1HB SER 38 HB2 SER 38 75.730 -6.566 6.610 254 2HB SER 38 HB1 SER 38 75.748 -6.174 8.325 255 HG SER 38 HG SER 38 74.752 -8.020 8.502 256 H THR 39 HN THR 39 75.519 -3.671 5.740 257 HA THR 39 HA THR 39 73.809 -3.512 3.457 258 HB THR 39 HB THR 39 75.905 -2.698 2.287 259 HG1 THR 39 HG1 THR 39 77.146 -2.786 4.791 260 1HG2 THR 39 HG21 THR 39 75.078 -1.574 4.968 261 2HG2 THR 39 HG23 THR 39 76.206 -0.739 3.900 262 3HG2 THR 39 HG22 THR 39 74.555 -1.052 3.367 263 H LYS 40 HN LYS 40 76.125 -5.912 4.465 264 HA LYS 40 HA LYS 40 76.513 -7.102 1.850 265 1HB LYS 40 HB2 LYS 40 77.232 -9.120 3.288 266 2HB LYS 40 HB1 LYS 40 78.173 -7.638 3.461 267 1HG LYS 40 HG2 LYS 40 77.141 -7.086 5.518 268 2HG LYS 40 HG1 LYS 40 75.814 -8.221 5.252 269 1HD LYS 40 HD2 LYS 40 77.376 -9.154 6.889 270 2HD LYS 40 HD1 LYS 40 77.436 -10.105 5.405 271 1HE LYS 40 HE2 LYS 40 79.610 -9.603 5.081 272 2HE LYS 40 HE1 LYS 40 79.303 -7.879 5.301 273 1HZ LYS 40 HZ2 LYS 40 79.060 -9.145 7.785 274 2HZ LYS 40 HZ1 LYS 40 80.518 -9.661 7.081 275 3HZ LYS 40 HZ3 LYS 40 80.220 -8.005 7.294 276 H ALA 41 HN ALA 41 74.225 -7.561 4.501 277 HA ALA 41 HA ALA 41 72.991 -9.921 3.326 278 1HB ALA 41 HB3 ALA 41 72.582 -8.207 5.691 279 2HB ALA 41 HB2 ALA 41 71.091 -8.858 5.007 280 3HB ALA 41 HB1 ALA 41 72.379 -9.950 5.518 281 H LEU 42 HN LEU 42 72.912 -6.616 2.596 282 HA LEU 42 HA LEU 42 70.188 -6.251 1.823 283 1HB LEU 42 HB2 LEU 42 72.690 -4.836 1.541 284 2HB LEU 42 HB1 LEU 42 71.795 -4.791 0.021 285 HG LEU 42 HG LEU 42 69.889 -3.810 1.054 286 1HD1 LEU 42 HD13 LEU 42 71.170 -4.830 3.561 287 2HD1 LEU 42 HD12 LEU 42 70.144 -3.401 3.669 288 3HD1 LEU 42 HD11 LEU 42 69.484 -4.916 3.053 289 1HD2 LEU 42 HD23 LEU 42 72.397 -2.638 2.283 290 2HD2 LEU 42 HD22 LEU 42 71.719 -2.232 0.707 291 3HD2 LEU 42 HD21 LEU 42 70.845 -1.809 2.179 292 H GLY 43 HN GLY 43 73.012 -7.444 -0.016 293 1HA GLY 43 HA2 GLY 43 71.805 -7.701 -2.541 294 2HA GLY 43 HA1 GLY 43 73.040 -8.809 -1.935 295 H THR 44 HN THR 44 71.345 -9.532 0.389 296 HA THR 44 HA THR 44 69.907 -11.733 -0.856 297 HB THR 44 HB THR 44 70.090 -10.772 2.014 298 HG1 THR 44 HG1 THR 44 71.524 -12.441 2.196 299 1HG2 THR 44 HG23 THR 44 68.079 -12.355 0.956 300 2HG2 THR 44 HG22 THR 44 69.249 -13.537 1.542 301 3HG2 THR 44 HG21 THR 44 68.583 -12.335 2.646 302 H VAL 45 HN VAL 45 69.012 -8.671 0.729 303 HA VAL 45 HA VAL 45 66.197 -9.131 0.812 304 HB VAL 45 HB VAL 45 67.634 -6.492 0.396 305 1HG1 VAL 45 HG11 VAL 45 64.902 -7.113 0.382 306 2HG1 VAL 45 HG13 VAL 45 65.209 -6.499 2.007 307 3HG1 VAL 45 HG12 VAL 45 65.611 -5.513 0.601 308 1HG2 VAL 45 HG22 VAL 45 68.186 -8.114 2.432 309 2HG2 VAL 45 HG21 VAL 45 67.988 -6.380 2.689 310 3HG2 VAL 45 HG23 VAL 45 66.659 -7.482 3.052 311 H MET 46 HN MET 46 68.172 -7.475 -1.675 312 HA MET 46 HA MET 46 66.137 -6.842 -3.493 313 1HB MET 46 HB2 MET 46 68.859 -7.923 -4.272 314 2HB MET 46 HB1 MET 46 67.835 -6.841 -5.214 315 1HG MET 46 HG2 MET 46 68.351 -5.806 -2.532 316 2HG MET 46 HG1 MET 46 69.838 -6.058 -3.447 317 1HE MET 46 HE2 MET 46 70.786 -4.637 -4.876 318 2HE MET 46 HE1 MET 46 70.200 -3.039 -5.327 319 3HE MET 46 HE3 MET 46 70.446 -3.447 -3.624 320 H ARG 47 HN ARG 47 67.858 -9.939 -3.114 321 HA ARG 47 HA ARG 47 66.660 -11.289 -5.310 322 1HB ARG 47 HB2 ARG 47 67.865 -12.180 -2.703 323 2HB ARG 47 HB1 ARG 47 67.062 -13.357 -3.745 324 1HG ARG 47 HG2 ARG 47 68.512 -12.611 -5.637 325 2HG ARG 47 HG1 ARG 47 69.366 -11.546 -4.521 326 1HD ARG 47 HD2 ARG 47 70.734 -13.332 -4.196 327 2HD ARG 47 HD1 ARG 47 69.433 -13.927 -3.162 328 HE ARG 47 HE ARG 47 69.747 -14.714 -6.033 329 1HH1 ARG 47 HH21 ARG 47 67.117 -15.163 -4.520 330 2HH1 ARG 47 HH22 ARG 47 67.302 -16.814 -4.029 331 1HH2 ARG 47 HH11 ARG 47 70.712 -16.893 -4.654 332 2HH2 ARG 47 HH12 ARG 47 69.336 -17.794 -4.108 333 H MET 48 HN MET 48 65.523 -10.765 -1.997 334 HA MET 48 HA MET 48 63.240 -12.523 -2.229 335 1HB MET 48 HB2 MET 48 64.215 -10.487 -0.294 336 2HB MET 48 HB1 MET 48 62.481 -10.814 -0.284 337 1HG MET 48 HG2 MET 48 63.034 -12.551 1.072 338 2HG MET 48 HG1 MET 48 63.507 -13.350 -0.427 339 1HE MET 48 HE3 MET 48 64.213 -12.102 2.813 340 2HE MET 48 HE2 MET 48 64.839 -13.749 2.786 341 3HE MET 48 HE1 MET 48 65.928 -12.406 3.125 342 H LEU 49 HN LEU 49 63.838 -9.163 -3.075 343 HA LEU 49 HA LEU 49 60.995 -8.562 -3.417 344 1HB LEU 49 HB2 LEU 49 63.214 -6.930 -4.628 345 2HB LEU 49 HB1 LEU 49 61.677 -6.388 -3.954 346 HG LEU 49 HG LEU 49 64.138 -7.321 -2.475 347 1HD1 LEU 49 HD13 LEU 49 63.619 -4.865 -3.188 348 2HD1 LEU 49 HD12 LEU 49 62.419 -4.919 -1.897 349 3HD1 LEU 49 HD11 LEU 49 64.124 -5.173 -1.526 350 1HD2 LEU 49 HD23 LEU 49 61.302 -7.590 -1.728 351 2HD2 LEU 49 HD22 LEU 49 62.725 -8.359 -1.027 352 3HD2 LEU 49 HD21 LEU 49 62.272 -6.728 -0.533 353 H GLY 50 HN GLY 50 61.943 -7.099 -6.052 354 1HA GLY 50 HA2 GLY 50 61.780 -9.505 -7.814 355 2HA GLY 50 HA1 GLY 50 60.717 -8.123 -8.082 356 H GLN 51 HN GLN 51 64.059 -7.763 -7.049 357 HA GLN 51 HA GLN 51 64.845 -7.004 -9.813 358 1HB GLN 51 HB2 GLN 51 65.794 -4.877 -9.037 359 2HB GLN 51 HB1 GLN 51 64.064 -4.929 -8.697 360 1HG GLN 51 HG2 GLN 51 65.304 -6.094 -6.454 361 2HG GLN 51 HG1 GLN 51 66.270 -4.671 -6.843 362 1HE2 GLN 51 HE22 GLN 51 63.415 -2.428 -6.418 363 2HE2 GLN 51 HE21 GLN 51 64.706 -2.677 -7.491 364 H ASN 52 HN ASN 52 66.841 -7.816 -10.254 365 HA ASN 52 HA ASN 52 68.667 -8.358 -7.950 366 1HB ASN 52 HB2 ASN 52 67.441 -10.392 -9.085 367 2HB ASN 52 HB1 ASN 52 68.634 -10.148 -10.362 368 1HD2 ASN 52 HD22 ASN 52 69.793 -11.721 -6.789 369 2HD2 ASN 52 HD21 ASN 52 68.196 -11.199 -7.032 370 HA PRO 53 HA PRO 53 70.941 -5.825 -10.968 371 1HB PRO 53 HB2 PRO 53 72.314 -4.430 -9.037 372 2HB PRO 53 HB1 PRO 53 70.702 -3.972 -9.616 373 1HG PRO 53 HG2 PRO 53 71.477 -5.259 -7.038 374 2HG PRO 53 HG1 PRO 53 70.077 -4.240 -7.406 375 1HD PRO 53 HD2 PRO 53 70.059 -7.060 -7.178 376 2HD PRO 53 HD1 PRO 53 68.760 -6.060 -7.865 377 H THR 54 HN THR 54 73.505 -5.364 -10.834 378 HA THR 54 HA THR 54 74.741 -8.010 -10.430 379 HB THR 54 HB THR 54 76.781 -6.404 -11.254 380 HG1 THR 54 HG1 THR 54 75.717 -5.040 -12.859 381 1HG2 THR 54 HG21 THR 54 74.719 -8.066 -12.590 382 2HG2 THR 54 HG23 THR 54 75.662 -7.009 -13.643 383 3HG2 THR 54 HG22 THR 54 76.477 -8.202 -12.633 384 H LYS 55 HN LYS 55 76.518 -8.369 -9.012 385 HA LYS 55 HA LYS 55 76.447 -7.313 -6.456 386 1HB LYS 55 HB2 LYS 55 79.067 -7.801 -6.545 387 2HB LYS 55 HB1 LYS 55 77.892 -9.115 -6.579 388 1HG LYS 55 HG2 LYS 55 78.239 -9.558 -8.816 389 2HG LYS 55 HG1 LYS 55 78.653 -7.884 -9.189 390 1HD LYS 55 HD2 LYS 55 80.841 -8.122 -8.223 391 2HD LYS 55 HD1 LYS 55 80.433 -9.699 -7.545 392 1HE LYS 55 HE2 LYS 55 80.399 -9.132 -10.517 393 2HE LYS 55 HE1 LYS 55 81.815 -9.767 -9.678 394 1HZ LYS 55 HZ1 LYS 55 79.584 -11.261 -8.896 395 2HZ LYS 55 HZ3 LYS 55 79.570 -11.166 -10.589 396 3HZ LYS 55 HZ2 LYS 55 80.937 -11.777 -9.785 397 H GLU 56 HN GLU 56 78.316 -6.039 -9.209 398 HA GLU 56 HA GLU 56 79.660 -3.963 -7.808 399 1HB GLU 56 HB2 GLU 56 80.311 -4.496 -10.072 400 2HB GLU 56 HB1 GLU 56 78.698 -4.118 -10.678 401 1HG GLU 56 HG2 GLU 56 79.191 -1.924 -10.829 402 2HG GLU 56 HG1 GLU 56 79.785 -1.888 -9.169 403 H GLU 57 HN GLU 57 76.572 -3.830 -9.621 404 HA GLU 57 HA GLU 57 75.915 -1.149 -9.080 405 1HB GLU 57 HB2 GLU 57 74.628 -3.320 -10.251 406 2HB GLU 57 HB1 GLU 57 73.599 -2.924 -8.873 407 1HG GLU 57 HG2 GLU 57 72.973 -0.916 -9.751 408 2HG GLU 57 HG1 GLU 57 74.575 -0.597 -10.420 409 H LEU 58 HN LEU 58 75.899 -3.912 -6.953 410 HA LEU 58 HA LEU 58 74.161 -2.784 -4.937 411 1HB LEU 58 HB2 LEU 58 74.797 -5.236 -5.168 412 2HB LEU 58 HB1 LEU 58 76.369 -4.807 -4.492 413 HG LEU 58 HG LEU 58 74.638 -3.598 -2.726 414 1HD1 LEU 58 HD12 LEU 58 72.711 -4.705 -3.816 415 2HD1 LEU 58 HD11 LEU 58 73.462 -6.276 -3.534 416 3HD1 LEU 58 HD13 LEU 58 72.939 -5.291 -2.168 417 1HD2 LEU 58 HD22 LEU 58 76.482 -5.811 -2.798 418 2HD2 LEU 58 HD21 LEU 58 76.061 -4.776 -1.435 419 3HD2 LEU 58 HD23 LEU 58 75.114 -6.226 -1.765 420 H ASP 59 HN ASP 59 77.731 -3.083 -5.116 421 HA ASP 59 HA ASP 59 78.333 -1.645 -2.765 422 1HB ASP 59 HB2 ASP 59 79.789 -2.734 -4.884 423 2HB ASP 59 HB1 ASP 59 80.174 -1.012 -4.940 424 H ALA 60 HN ALA 60 77.999 -0.371 -6.098 425 HA ALA 60 HA ALA 60 78.436 2.357 -5.472 426 1HB ALA 60 HB3 ALA 60 77.303 0.830 -7.690 427 2HB ALA 60 HB2 ALA 60 76.493 2.381 -7.471 428 3HB ALA 60 HB1 ALA 60 78.238 2.326 -7.725 429 H ILE 61 HN ILE 61 75.636 0.317 -4.988 430 HA ILE 61 HA ILE 61 73.755 2.467 -4.516 431 HB ILE 61 HB ILE 61 73.804 -0.498 -4.013 432 1HG1 ILE 61 HG12 ILE 61 71.953 1.371 -5.525 433 2HG1 ILE 61 HG11 ILE 61 73.211 0.363 -6.241 434 1HG2 ILE 61 HG23 ILE 61 71.810 1.492 -2.904 435 2HG2 ILE 61 HG22 ILE 61 71.432 -0.218 -3.130 436 3HG2 ILE 61 HG21 ILE 61 72.716 0.264 -2.019 437 1HD1 ILE 61 HD11 ILE 61 71.445 -1.189 -4.523 438 2HD1 ILE 61 HD13 ILE 61 70.553 -0.380 -5.810 439 3HD1 ILE 61 HD12 ILE 61 71.888 -1.463 -6.208 440 H ILE 62 HN ILE 62 75.251 0.152 -2.224 441 HA ILE 62 HA ILE 62 74.502 1.528 0.137 442 HB ILE 62 HB ILE 62 76.866 -0.269 -0.459 443 1HG1 ILE 62 HG12 ILE 62 74.968 -1.373 1.354 444 2HG1 ILE 62 HG11 ILE 62 74.062 -0.692 0.000 445 1HG2 ILE 62 HG21 ILE 62 75.946 1.040 2.093 446 2HG2 ILE 62 HG23 ILE 62 76.776 -0.517 2.130 447 3HG2 ILE 62 HG22 ILE 62 77.582 0.898 1.452 448 1HD1 ILE 62 HD11 ILE 62 75.880 -1.877 -1.470 449 2HD1 ILE 62 HD13 ILE 62 76.158 -2.847 -0.024 450 3HD1 ILE 62 HD12 ILE 62 74.568 -2.838 -0.786 451 H GLU 63 HN GLU 63 76.892 2.315 -2.225 452 HA GLU 63 HA GLU 63 78.690 3.804 -0.550 453 1HB GLU 63 HB2 GLU 63 78.136 3.615 -3.475 454 2HB GLU 63 HB1 GLU 63 79.015 5.036 -2.905 455 1HG GLU 63 HG2 GLU 63 79.992 2.570 -1.679 456 2HG GLU 63 HG1 GLU 63 80.130 2.543 -3.436 457 H GLU 64 HN GLU 64 75.662 4.645 -2.174 458 HA GLU 64 HA GLU 64 75.958 7.437 -1.173 459 1HB GLU 64 HB2 GLU 64 74.508 6.170 -3.434 460 2HB GLU 64 HB1 GLU 64 73.691 7.517 -2.643 461 1HG GLU 64 HG2 GLU 64 75.919 8.780 -2.855 462 2HG GLU 64 HG1 GLU 64 76.401 7.506 -3.977 463 H VAL 65 HN VAL 65 74.340 4.487 -0.503 464 HA VAL 65 HA VAL 65 71.981 5.672 0.734 465 HB VAL 65 HB VAL 65 73.183 2.904 1.064 466 1HG1 VAL 65 HG13 VAL 65 71.007 4.267 2.383 467 2HG1 VAL 65 HG12 VAL 65 70.380 2.923 1.429 468 3HG1 VAL 65 HG11 VAL 65 71.613 2.633 2.655 469 1HG2 VAL 65 HG22 VAL 65 72.459 3.647 -1.276 470 2HG2 VAL 65 HG21 VAL 65 71.670 2.200 -0.646 471 3HG2 VAL 65 HG23 VAL 65 70.821 3.746 -0.629 472 H ASP 66 HN ASP 66 75.209 4.766 1.789 473 HA ASP 66 HA ASP 66 74.530 5.131 4.628 474 1HB ASP 66 HB2 ASP 66 76.976 4.351 3.084 475 2HB ASP 66 HB1 ASP 66 77.176 4.974 4.721 476 H GLU 67 HN GLU 67 73.746 7.424 3.976 477 HA GLU 67 HA GLU 67 75.689 9.441 3.318 478 1HB GLU 67 HB2 GLU 67 73.958 11.040 3.958 479 2HB GLU 67 HB1 GLU 67 73.221 9.725 3.041 480 1HG GLU 67 HG2 GLU 67 71.772 9.582 4.783 481 2HG GLU 67 HG1 GLU 67 73.094 8.765 5.618 482 H ASP 68 HN ASP 68 75.135 7.674 6.171 483 HA ASP 68 HA ASP 68 76.364 9.802 7.858 484 1HB ASP 68 HB2 ASP 68 75.803 8.000 9.692 485 2HB ASP 68 HB1 ASP 68 74.510 9.000 9.030 486 H GLY 69 HN GLY 69 77.038 6.802 6.292 487 1HA GLY 69 HA2 GLY 69 79.048 5.594 6.144 488 2HA GLY 69 HA1 GLY 69 79.834 6.943 6.964 489 H SER 70 HN SER 70 77.100 5.178 8.318 490 HA SER 70 HA SER 70 78.661 4.605 10.725 491 1HB SER 70 HB2 SER 70 76.495 3.459 11.430 492 2HB SER 70 HB1 SER 70 76.365 5.180 11.078 493 HG SER 70 HG SER 70 75.839 3.084 9.231 494 H GLY 71 HN GLY 71 77.681 2.893 7.842 495 1HA GLY 71 HA2 GLY 71 78.732 0.872 7.082 496 2HA GLY 71 HA1 GLY 71 79.300 0.579 8.726 497 H THR 72 HN THR 72 75.975 1.474 8.183 498 HA THR 72 HA THR 72 75.062 -1.330 8.227 499 HB THR 72 HB THR 72 73.565 -0.691 10.258 500 HG1 THR 72 HG1 THR 72 74.840 0.787 11.627 501 1HG2 THR 72 HG23 THR 72 75.456 -2.351 10.235 502 2HG2 THR 72 HG22 THR 72 76.535 -1.046 10.723 503 3HG2 THR 72 HG21 THR 72 75.225 -1.552 11.789 504 H ILE 73 HN ILE 73 72.883 -1.520 7.537 505 HA ILE 73 HA ILE 73 71.750 1.000 6.409 506 HB ILE 73 HB ILE 73 71.279 -1.911 5.709 507 1HG1 ILE 73 HG12 ILE 73 73.420 -0.704 4.972 508 2HG1 ILE 73 HG11 ILE 73 72.447 -1.421 3.689 509 1HG2 ILE 73 HG21 ILE 73 69.666 0.476 5.235 510 2HG2 ILE 73 HG23 ILE 73 70.153 -0.304 3.730 511 3HG2 ILE 73 HG22 ILE 73 69.268 -1.217 4.952 512 1HD1 ILE 73 HD12 ILE 73 71.535 1.268 4.246 513 2HD1 ILE 73 HD11 ILE 73 73.262 1.269 3.895 514 3HD1 ILE 73 HD13 ILE 73 72.127 0.591 2.728 515 H ASP 74 HN ASP 74 69.589 1.560 6.856 516 HA ASP 74 HA ASP 74 68.149 -0.160 8.827 517 1HB ASP 74 HB2 ASP 74 69.207 2.528 9.225 518 2HB ASP 74 HB1 ASP 74 67.463 2.470 9.480 519 H PHE 75 HN PHE 75 65.788 0.315 8.862 520 HA PHE 75 HA PHE 75 64.518 0.247 6.423 521 1HB PHE 75 HB2 PHE 75 63.474 0.026 8.742 522 2HB PHE 75 HB1 PHE 75 63.367 1.785 8.758 523 HD1 PHE 75 HD2 PHE 75 62.894 -0.698 6.005 524 HD2 PHE 75 HD1 PHE 75 61.124 2.371 8.427 525 HE1 PHE 75 HE2 PHE 75 60.823 -0.814 4.638 526 HE2 PHE 75 HE1 PHE 75 59.054 2.258 7.063 527 HZ PHE 75 HZ PHE 75 58.905 0.666 5.169 528 H GLU 76 HN GLU 76 65.267 3.218 8.259 529 HA GLU 76 HA GLU 76 64.110 5.081 6.486 530 1HB GLU 76 HB2 GLU 76 66.109 5.132 8.620 531 2HB GLU 76 HB1 GLU 76 66.430 6.332 7.368 532 1HG GLU 76 HG2 GLU 76 63.742 6.632 7.651 533 2HG GLU 76 HG1 GLU 76 64.186 6.168 9.294 534 H GLU 77 HN GLU 77 67.520 3.958 6.511 535 HA GLU 77 HA GLU 77 68.182 5.292 4.051 536 1HB GLU 77 HB2 GLU 77 69.488 2.860 5.313 537 2HB GLU 77 HB1 GLU 77 70.206 3.897 4.079 538 1HG GLU 77 HG2 GLU 77 70.028 5.830 5.636 539 2HG GLU 77 HG1 GLU 77 69.390 4.749 6.875 540 H PHE 78 HN PHE 78 66.349 2.485 4.698 541 HA PHE 78 HA PHE 78 66.947 0.963 2.332 542 1HB PHE 78 HB2 PHE 78 65.330 0.633 4.586 543 2HB PHE 78 HB1 PHE 78 64.191 0.709 3.241 544 HD1 PHE 78 HD2 PHE 78 64.461 -0.843 1.291 545 HD2 PHE 78 HD1 PHE 78 66.788 -1.238 4.878 546 HE1 PHE 78 HE2 PHE 78 65.068 -3.159 0.641 547 HE2 PHE 78 HE1 PHE 78 67.395 -3.554 4.230 548 HZ PHE 78 HZ PHE 78 66.535 -4.514 2.110 549 H LEU 79 HN LEU 79 64.048 2.937 3.066 550 HA LEU 79 HA LEU 79 62.847 2.985 0.581 551 1HB LEU 79 HB2 LEU 79 63.222 5.413 2.362 552 2HB LEU 79 HB1 LEU 79 61.963 5.199 1.147 553 HG LEU 79 HG LEU 79 62.353 3.508 3.632 554 1HD1 LEU 79 HD12 LEU 79 60.557 5.769 2.866 555 2HD1 LEU 79 HD11 LEU 79 59.871 4.473 3.845 556 3HD1 LEU 79 HD13 LEU 79 61.265 5.380 4.434 557 1HD2 LEU 79 HD22 LEU 79 60.835 3.115 1.125 558 2HD2 LEU 79 HD21 LEU 79 61.361 1.928 2.317 559 3HD2 LEU 79 HD23 LEU 79 59.900 2.870 2.599 560 H VAL 80 HN VAL 80 65.799 4.649 1.536 561 HA VAL 80 HA VAL 80 65.978 6.344 -0.794 562 HB VAL 80 HB VAL 80 68.075 5.303 1.130 563 1HG1 VAL 80 HG12 VAL 80 68.325 7.391 -1.056 564 2HG1 VAL 80 HG11 VAL 80 69.558 7.022 0.150 565 3HG1 VAL 80 HG13 VAL 80 69.105 5.810 -1.048 566 1HG2 VAL 80 HG22 VAL 80 66.629 7.948 0.805 567 2HG2 VAL 80 HG21 VAL 80 66.508 6.831 2.165 568 3HG2 VAL 80 HG23 VAL 80 68.010 7.709 1.877 569 H MET 81 HN MET 81 67.445 3.200 0.037 570 HA MET 81 HA MET 81 68.918 2.784 -2.324 571 1HB MET 81 HB2 MET 81 68.458 1.316 -0.087 572 2HB MET 81 HB1 MET 81 67.482 0.421 -1.253 573 1HG MET 81 HG2 MET 81 69.374 0.111 -2.711 574 2HG MET 81 HG1 MET 81 70.361 1.210 -1.748 575 1HE MET 81 HE3 MET 81 70.366 1.113 0.591 576 2HE MET 81 HE2 MET 81 69.877 -0.227 1.624 577 3HE MET 81 HE1 MET 81 71.544 -0.115 1.068 578 H MET 82 HN MET 82 65.497 2.035 -1.662 579 HA MET 82 HA MET 82 64.890 0.758 -4.113 580 1HB MET 82 HB2 MET 82 63.016 2.617 -2.629 581 2HB MET 82 HB1 MET 82 62.587 1.232 -3.634 582 1HG MET 82 HG2 MET 82 63.994 1.185 -0.952 583 2HG MET 82 HG1 MET 82 62.407 0.522 -1.340 584 1HE MET 82 HE1 MET 82 61.918 -1.351 -2.846 585 2HE MET 82 HE3 MET 82 62.885 -0.778 -4.213 586 3HE MET 82 HE2 MET 82 63.070 -2.430 -3.629 587 H VAL 83 HN VAL 83 64.097 4.170 -3.337 588 HA VAL 83 HA VAL 83 63.562 4.920 -6.022 589 HB VAL 83 HB VAL 83 64.657 6.714 -3.839 590 1HG1 VAL 83 HG11 VAL 83 63.455 7.108 -6.521 591 2HG1 VAL 83 HG13 VAL 83 62.832 8.158 -5.247 592 3HG1 VAL 83 HG12 VAL 83 64.556 8.146 -5.617 593 1HG2 VAL 83 HG21 VAL 83 62.241 5.172 -3.930 594 2HG2 VAL 83 HG23 VAL 83 62.747 6.337 -2.706 595 3HG2 VAL 83 HG22 VAL 83 61.821 6.875 -4.107 596 H ARG 84 HN ARG 84 66.554 4.248 -4.478 597 HA ARG 84 HA ARG 84 68.261 5.978 -6.018 598 1HB ARG 84 HB2 ARG 84 68.581 3.719 -4.176 599 2HB ARG 84 HB1 ARG 84 69.793 3.741 -5.456 600 1HG ARG 84 HG2 ARG 84 69.690 6.391 -4.745 601 2HG ARG 84 HG1 ARG 84 69.417 5.593 -3.195 602 1HD ARG 84 HD2 ARG 84 71.580 4.986 -3.064 603 2HD ARG 84 HD1 ARG 84 71.509 4.235 -4.657 604 HE ARG 84 HE ARG 84 72.224 7.086 -4.150 605 1HH1 ARG 84 HH21 ARG 84 71.248 7.233 -6.767 606 2HH1 ARG 84 HH22 ARG 84 72.509 6.621 -7.784 607 1HH2 ARG 84 HH11 ARG 84 74.180 5.026 -5.198 608 2HH2 ARG 84 HH12 ARG 84 74.171 5.372 -6.895 609 H GLN 85 HN GLN 85 68.118 2.418 -6.334 610 HA GLN 85 HA GLN 85 68.932 2.619 -9.134 611 1HB GLN 85 HB2 GLN 85 68.767 0.147 -9.097 612 2HB GLN 85 HB1 GLN 85 69.718 0.753 -7.740 613 1HG GLN 85 HG2 GLN 85 68.332 -0.624 -6.543 614 2HG GLN 85 HG1 GLN 85 67.263 0.778 -6.611 615 1HE2 GLN 85 HE22 GLN 85 64.880 -0.820 -8.660 616 2HE2 GLN 85 HE21 GLN 85 65.314 0.578 -7.802 617 H MET 86 HN MET 86 66.062 3.266 -7.753 618 HA MET 86 HA MET 86 64.186 1.699 -9.244 619 1HB MET 86 HB2 MET 86 64.132 4.175 -7.634 620 2HB MET 86 HB1 MET 86 62.886 4.078 -8.878 621 1HG MET 86 HG2 MET 86 63.332 1.622 -7.265 622 2HG MET 86 HG1 MET 86 62.583 2.982 -6.429 623 1HE MET 86 HE3 MET 86 60.413 3.958 -6.818 624 2HE MET 86 HE2 MET 86 59.094 2.895 -7.302 625 3HE MET 86 HE1 MET 86 60.201 2.390 -6.029 626 H LYS 87 HN LYS 87 65.946 4.674 -9.991 627 HA LYS 87 HA LYS 87 64.579 4.792 -12.635 628 1HB LYS 87 HB2 LYS 87 66.364 6.769 -11.185 629 2HB LYS 87 HB1 LYS 87 65.745 7.017 -12.818 630 1HG LYS 87 HG2 LYS 87 63.451 6.932 -12.018 631 2HG LYS 87 HG1 LYS 87 63.996 6.516 -10.392 632 1HD LYS 87 HD2 LYS 87 65.221 8.694 -10.293 633 2HD LYS 87 HD1 LYS 87 64.537 9.111 -11.865 634 1HE LYS 87 HE2 LYS 87 62.608 8.213 -9.790 635 2HE LYS 87 HE1 LYS 87 63.355 9.790 -9.534 636 1HZ LYS 87 HZ1 LYS 87 62.685 10.407 -11.790 637 2HZ LYS 87 HZ3 LYS 87 61.910 8.909 -11.973 638 3HZ LYS 87 HZ2 LYS 87 61.345 10.019 -10.818 639 H GLU 88 HN GLU 88 67.595 3.976 -11.126 640 HA GLU 88 HA GLU 88 69.592 3.145 -12.035 641 1HB GLU 88 HB2 GLU 88 67.696 2.719 -14.358 642 2HB GLU 88 HB1 GLU 88 69.376 2.182 -14.383 643 1HG GLU 88 HG2 GLU 88 68.448 1.266 -11.929 644 2HG GLU 88 HG1 GLU 88 67.079 1.008 -13.012 645 H ASP 89 HN ASP 89 68.515 4.276 -15.184 646 HA ASP 89 HA ASP 89 70.473 6.528 -14.960 647 1HB ASP 89 HB2 ASP 89 70.632 4.291 -16.651 648 2HB ASP 89 HB1 ASP 89 70.077 5.610 -17.683 649 H ALA 90 HN ALA 90 68.536 7.808 -14.376 650 HA ALA 90 HA ALA 90 67.263 8.906 -16.794 651 1HB ALA 90 HB3 ALA 90 65.900 6.933 -15.438 652 2HB ALA 90 HB2 ALA 90 65.278 8.399 -14.680 653 3HB ALA 90 HB1 ALA 90 65.142 8.183 -16.426 No H/Q in entry = 653 Start of MODEL 31 1 1H ALA 1 HT3 ALA 1 68.455 13.082 14.805 2 2H ALA 1 HT2 ALA 1 66.920 12.407 15.075 3 3H ALA 1 HT1 ALA 1 68.281 11.770 15.865 4 HA ALA 1 HA ALA 1 68.943 10.566 14.106 5 1HB ALA 1 HB2 ALA 1 66.024 11.159 13.576 6 2HB ALA 1 HB1 ALA 1 66.932 9.978 12.633 7 3HB ALA 1 HB3 ALA 1 66.717 9.743 14.367 8 H SER 2 HN SER 2 67.251 13.494 13.012 9 HA SER 2 HA SER 2 67.838 14.969 11.272 10 1HB SER 2 HB2 SER 2 70.252 13.786 11.967 11 2HB SER 2 HB1 SER 2 70.128 13.463 10.241 12 HG SER 2 HG SER 2 69.770 15.994 11.484 13 H MET 3 HN MET 3 67.880 14.951 8.843 14 HA MET 3 HA MET 3 67.219 12.330 7.623 15 1HB MET 3 HB2 MET 3 65.138 13.151 6.658 16 2HB MET 3 HB1 MET 3 65.066 13.338 8.410 17 1HG MET 3 HG2 MET 3 66.131 15.722 7.799 18 2HG MET 3 HG1 MET 3 65.273 15.422 6.288 19 1HE MET 3 HE3 MET 3 65.391 16.085 9.831 20 2HE MET 3 HE2 MET 3 63.753 16.359 10.421 21 3HE MET 3 HE1 MET 3 64.361 14.712 10.259 22 H THR 4 HN THR 4 68.715 12.295 6.006 23 HA THR 4 HA THR 4 69.800 14.661 4.777 24 HB THR 4 HB THR 4 70.284 12.658 2.955 25 HG1 THR 4 HG1 THR 4 70.469 11.343 5.406 26 1HG2 THR 4 HG22 THR 4 71.790 14.205 4.465 27 2HG2 THR 4 HG21 THR 4 71.886 12.771 5.488 28 3HG2 THR 4 HG23 THR 4 72.444 12.701 3.814 29 H ASP 5 HN ASP 5 69.506 15.299 2.505 30 HA ASP 5 HA ASP 5 66.721 15.455 1.775 31 1HB ASP 5 HB2 ASP 5 67.634 16.489 -0.342 32 2HB ASP 5 HB1 ASP 5 68.188 17.262 1.144 33 H GLN 6 HN GLN 6 69.322 13.270 0.939 34 HA GLN 6 HA GLN 6 68.319 12.218 -1.491 35 1HB GLN 6 HB2 GLN 6 70.501 11.544 -0.834 36 2HB GLN 6 HB1 GLN 6 69.945 11.012 0.754 37 1HG GLN 6 HG2 GLN 6 68.764 9.149 -0.201 38 2HG GLN 6 HG1 GLN 6 69.041 9.743 -1.838 39 1HE2 GLN 6 HE21 GLN 6 70.465 8.200 -2.724 40 2HE2 GLN 6 HE22 GLN 6 71.932 7.735 -2.009 41 H GLN 7 HN GLN 7 67.672 11.205 1.878 42 HA GLN 7 HA GLN 7 65.711 9.220 1.036 43 1HB GLN 7 HB2 GLN 7 65.236 9.014 3.452 44 2HB GLN 7 HB1 GLN 7 66.972 8.952 3.139 45 1HG GLN 7 HG2 GLN 7 67.106 11.396 3.652 46 2HG GLN 7 HG1 GLN 7 65.399 11.360 4.093 47 1HE2 GLN 7 HE22 GLN 7 68.065 9.369 6.523 48 2HE2 GLN 7 HE21 GLN 7 68.436 9.561 4.877 49 H ALA 8 HN ALA 8 65.682 12.613 1.574 50 HA ALA 8 HA ALA 8 62.935 12.915 2.383 51 1HB ALA 8 HB3 ALA 8 64.761 14.686 2.507 52 2HB ALA 8 HB2 ALA 8 64.557 14.900 0.769 53 3HB ALA 8 HB1 ALA 8 63.216 15.242 1.865 54 H GLU 9 HN GLU 9 64.524 13.111 -0.817 55 HA GLU 9 HA GLU 9 62.036 13.484 -2.242 56 1HB GLU 9 HB2 GLU 9 64.753 13.596 -2.884 57 2HB GLU 9 HB1 GLU 9 64.145 12.223 -3.811 58 1HG GLU 9 HG2 GLU 9 63.541 13.851 -5.300 59 2HG GLU 9 HG1 GLU 9 62.142 14.001 -4.236 60 H ALA 10 HN ALA 10 63.918 10.673 -1.251 61 HA ALA 10 HA ALA 10 62.594 8.738 -2.897 62 1HB ALA 10 HB2 ALA 10 64.373 8.721 -0.557 63 2HB ALA 10 HB1 ALA 10 63.243 7.369 -0.589 64 3HB ALA 10 HB3 ALA 10 64.335 7.636 -1.947 65 H ARG 11 HN ARG 11 61.904 9.933 0.391 66 HA ARG 11 HA ARG 11 59.633 8.209 0.807 67 1HB ARG 11 HB2 ARG 11 61.070 10.050 2.340 68 2HB ARG 11 HB1 ARG 11 59.462 10.762 2.203 69 1HG ARG 11 HG2 ARG 11 58.766 9.335 3.799 70 2HG ARG 11 HG1 ARG 11 59.030 8.017 2.657 71 1HD ARG 11 HD2 ARG 11 60.300 7.528 4.658 72 2HD ARG 11 HD1 ARG 11 61.440 7.965 3.385 73 HE ARG 11 HE ARG 11 61.415 10.296 4.466 74 1HH1 ARG 11 HH21 ARG 11 60.242 10.895 6.644 75 2HH1 ARG 11 HH22 ARG 11 60.864 9.982 7.978 76 1HH2 ARG 11 HH11 ARG 11 62.402 7.603 5.980 77 2HH2 ARG 11 HH12 ARG 11 62.088 8.121 7.603 78 H ALA 12 HN ALA 12 60.088 11.227 -0.878 79 HA ALA 12 HA ALA 12 57.261 11.936 -0.923 80 1HB ALA 12 HB3 ALA 12 59.450 13.403 -1.339 81 2HB ALA 12 HB2 ALA 12 59.155 12.930 -3.012 82 3HB ALA 12 HB1 ALA 12 57.918 13.807 -2.113 83 H PHE 13 HN PHE 13 59.420 10.001 -2.894 84 HA PHE 13 HA PHE 13 57.451 9.798 -5.079 85 1HB PHE 13 HB2 PHE 13 59.892 9.828 -5.564 86 2HB PHE 13 HB1 PHE 13 60.070 8.320 -4.665 87 HD1 PHE 13 HD2 PHE 13 58.686 6.294 -5.428 88 HD2 PHE 13 HD1 PHE 13 59.248 9.806 -7.833 89 HE1 PHE 13 HE2 PHE 13 58.044 5.011 -7.451 90 HE2 PHE 13 HE1 PHE 13 58.606 8.524 -9.856 91 HZ PHE 13 HZ PHE 13 58.003 6.127 -9.666 92 H LEU 14 HN LEU 14 58.431 8.039 -2.231 93 HA LEU 14 HA LEU 14 56.909 5.640 -3.075 94 1HB LEU 14 HB2 LEU 14 58.458 6.182 -0.521 95 2HB LEU 14 HB1 LEU 14 57.778 4.629 -1.011 96 HG LEU 14 HG LEU 14 59.823 6.167 -2.636 97 1HD1 LEU 14 HD13 LEU 14 60.099 4.387 -0.319 98 2HD1 LEU 14 HD12 LEU 14 61.013 3.841 -1.725 99 3HD1 LEU 14 HD11 LEU 14 61.290 5.453 -1.064 100 1HD2 LEU 14 HD22 LEU 14 58.064 4.117 -3.338 101 2HD2 LEU 14 HD21 LEU 14 59.529 4.571 -4.210 102 3HD2 LEU 14 HD23 LEU 14 59.582 3.280 -3.008 103 H SER 15 HN SER 15 54.757 5.622 -2.664 104 HA SER 15 HA SER 15 53.554 7.502 -0.789 105 1HB SER 15 HB2 SER 15 52.482 6.653 -2.940 106 2HB SER 15 HB1 SER 15 52.220 5.125 -2.107 107 HG SER 15 HG SER 15 50.532 6.916 -2.057 108 H GLU 16 HN GLU 16 52.032 6.662 0.953 109 HA GLU 16 HA GLU 16 53.441 5.068 2.835 110 1HB GLU 16 HB2 GLU 16 50.433 5.419 2.737 111 2HB GLU 16 HB1 GLU 16 51.432 5.124 4.160 112 1HG GLU 16 HG2 GLU 16 52.532 7.407 2.933 113 2HG GLU 16 HG1 GLU 16 50.784 7.642 2.888 114 H GLU 17 HN GLU 17 51.238 4.193 0.257 115 HA GLU 17 HA GLU 17 50.663 1.524 1.184 116 1HB GLU 17 HB2 GLU 17 50.164 3.130 -1.201 117 2HB GLU 17 HB1 GLU 17 50.531 1.452 -1.600 118 1HG GLU 17 HG2 GLU 17 48.722 0.626 -0.345 119 2HG GLU 17 HG1 GLU 17 48.582 2.108 0.600 120 H MET 18 HN MET 18 53.104 2.853 -1.054 121 HA MET 18 HA MET 18 54.291 0.291 -1.649 122 1HB MET 18 HB2 MET 18 54.892 3.128 -2.179 123 2HB MET 18 HB1 MET 18 56.316 2.096 -2.051 124 1HG MET 18 HG2 MET 18 54.658 0.538 -3.576 125 2HG MET 18 HG1 MET 18 54.217 2.156 -4.124 126 1HE MET 18 HE2 MET 18 55.438 3.573 -5.576 127 2HE MET 18 HE1 MET 18 56.645 2.899 -6.668 128 3HE MET 18 HE3 MET 18 55.069 2.115 -6.491 129 H ILE 19 HN ILE 19 54.769 2.679 0.889 130 HA ILE 19 HA ILE 19 57.241 1.499 1.868 131 HB ILE 19 HB ILE 19 55.273 3.489 3.015 132 1HG1 ILE 19 HG12 ILE 19 58.057 4.278 2.763 133 2HG1 ILE 19 HG11 ILE 19 57.436 3.672 1.227 134 1HG2 ILE 19 HG23 ILE 19 57.843 2.463 4.261 135 2HG2 ILE 19 HG22 ILE 19 56.871 3.802 4.873 136 3HG2 ILE 19 HG21 ILE 19 56.217 2.164 4.873 137 1HD1 ILE 19 HD11 ILE 19 55.375 5.268 2.287 138 2HD1 ILE 19 HD13 ILE 19 56.861 6.178 2.561 139 3HD1 ILE 19 HD12 ILE 19 56.429 5.664 0.930 140 H ALA 20 HN ALA 20 53.879 0.800 2.212 141 HA ALA 20 HA ALA 20 53.948 -0.493 4.775 142 1HB ALA 20 HB3 ALA 20 52.066 -0.179 2.590 143 2HB ALA 20 HB2 ALA 20 52.035 -1.830 3.208 144 3HB ALA 20 HB1 ALA 20 51.744 -0.476 4.299 145 H GLU 21 HN GLU 21 54.546 -1.636 1.469 146 HA GLU 21 HA GLU 21 54.929 -4.403 2.304 147 1HB GLU 21 HB2 GLU 21 55.274 -2.850 -0.237 148 2HB GLU 21 HB1 GLU 21 56.069 -4.418 -0.090 149 1HG GLU 21 HG2 GLU 21 54.064 -5.577 0.041 150 2HG GLU 21 HG1 GLU 21 53.188 -4.196 0.702 151 H PHE 22 HN PHE 22 57.049 -1.661 1.502 152 HA PHE 22 HA PHE 22 59.527 -3.045 1.678 153 1HB PHE 22 HB2 PHE 22 59.028 -0.178 2.523 154 2HB PHE 22 HB1 PHE 22 60.546 -0.872 1.952 155 HD1 PHE 22 HD1 PHE 22 59.131 -2.653 -0.199 156 HD2 PHE 22 HD2 PHE 22 58.942 1.528 0.766 157 HE1 PHE 22 HE1 PHE 22 58.486 -2.142 -2.538 158 HE2 PHE 22 HE2 PHE 22 58.297 2.038 -1.573 159 HZ PHE 22 HZ PHE 22 58.068 0.204 -3.225 160 H LYS 23 HN LYS 23 57.357 -1.841 4.156 161 HA LYS 23 HA LYS 23 59.210 -1.924 6.348 162 1HB LYS 23 HB2 LYS 23 56.576 -1.158 6.029 163 2HB LYS 23 HB1 LYS 23 56.433 -2.620 7.006 164 1HG LYS 23 HG2 LYS 23 58.561 -0.694 7.794 165 2HG LYS 23 HG1 LYS 23 56.894 -0.198 8.092 166 1HD LYS 23 HD2 LYS 23 56.552 -1.815 9.680 167 2HD LYS 23 HD1 LYS 23 57.585 -2.985 8.857 168 1HE LYS 23 HE2 LYS 23 59.551 -2.080 9.769 169 2HE LYS 23 HE1 LYS 23 58.782 -0.536 10.137 170 1HZ LYS 23 HZ2 LYS 23 57.326 -2.384 11.529 171 2HZ LYS 23 HZ1 LYS 23 58.933 -2.905 11.719 172 3HZ LYS 23 HZ3 LYS 23 58.494 -1.332 12.175 173 H ALA 24 HN ALA 24 56.837 -4.308 5.158 174 HA ALA 24 HA ALA 24 57.381 -6.341 7.052 175 1HB ALA 24 HB2 ALA 24 56.052 -6.124 4.468 176 2HB ALA 24 HB1 ALA 24 56.863 -7.679 4.655 177 3HB ALA 24 HB3 ALA 24 55.661 -7.162 5.839 178 H ALA 25 HN ALA 25 58.817 -5.870 3.806 179 HA ALA 25 HA ALA 25 60.643 -8.040 3.943 180 1HB ALA 25 HB2 ALA 25 60.248 -5.679 2.274 181 2HB ALA 25 HB1 ALA 25 61.958 -6.059 2.484 182 3HB ALA 25 HB3 ALA 25 60.860 -7.273 1.829 183 H PHE 26 HN PHE 26 60.895 -4.720 5.154 184 HA PHE 26 HA PHE 26 63.630 -4.618 5.774 185 1HB PHE 26 HB2 PHE 26 61.893 -2.782 6.088 186 2HB PHE 26 HB1 PHE 26 61.451 -3.578 7.597 187 HD1 PHE 26 HD1 PHE 26 64.646 -2.703 5.825 188 HD2 PHE 26 HD2 PHE 26 62.407 -2.633 9.490 189 HE1 PHE 26 HE1 PHE 26 66.547 -1.588 6.964 190 HE2 PHE 26 HE2 PHE 26 64.308 -1.518 10.630 191 HZ PHE 26 HZ PHE 26 66.378 -0.995 9.368 192 H ASP 27 HN ASP 27 61.195 -5.283 8.304 193 HA ASP 27 HA ASP 27 62.907 -6.414 10.185 194 1HB ASP 27 HB2 ASP 27 60.037 -7.134 9.536 195 2HB ASP 27 HB1 ASP 27 60.888 -7.728 10.962 196 H MET 28 HN MET 28 61.825 -7.798 7.182 197 HA MET 28 HA MET 28 62.227 -10.559 7.735 198 1HB MET 28 HB2 MET 28 61.635 -8.995 5.473 199 2HB MET 28 HB1 MET 28 63.122 -9.853 5.068 200 1HG MET 28 HG2 MET 28 60.529 -11.082 6.039 201 2HG MET 28 HG1 MET 28 61.245 -11.252 4.435 202 1HE MET 28 HE3 MET 28 64.064 -11.531 4.652 203 2HE MET 28 HE2 MET 28 64.472 -13.205 5.015 204 3HE MET 28 HE1 MET 28 63.218 -12.849 3.830 205 H PHE 29 HN PHE 29 64.523 -8.212 6.291 206 HA PHE 29 HA PHE 29 66.738 -10.102 6.597 207 1HB PHE 29 HB2 PHE 29 67.223 -7.201 6.071 208 2HB PHE 29 HB1 PHE 29 67.980 -8.615 5.340 209 HD1 PHE 29 HD1 PHE 29 66.509 -10.087 3.796 210 HD2 PHE 29 HD2 PHE 29 65.481 -6.081 4.957 211 HE1 PHE 29 HE1 PHE 29 64.943 -9.933 1.879 212 HE2 PHE 29 HE2 PHE 29 63.914 -5.927 3.042 213 HZ PHE 29 HZ PHE 29 63.646 -7.853 1.502 214 H ASP 30 HN ASP 30 65.112 -8.127 8.727 215 HA ASP 30 HA ASP 30 67.483 -7.275 10.259 216 1HB ASP 30 HB2 ASP 30 64.954 -6.230 9.994 217 2HB ASP 30 HB1 ASP 30 64.840 -7.064 11.545 218 H ALA 31 HN ALA 31 68.101 -9.674 10.439 219 HA ALA 31 HA ALA 31 66.554 -11.476 12.033 220 1HB ALA 31 HB1 ALA 31 69.485 -11.285 11.353 221 2HB ALA 31 HB3 ALA 31 68.895 -12.515 12.471 222 3HB ALA 31 HB2 ALA 31 68.304 -12.478 10.811 223 H ASP 32 HN ASP 32 69.229 -9.276 12.913 224 HA ASP 32 HA ASP 32 69.086 -9.896 15.731 225 1HB ASP 32 HB2 ASP 32 70.621 -8.073 16.032 226 2HB ASP 32 HB1 ASP 32 71.065 -8.858 14.515 227 H GLY 33 HN GLY 33 66.979 -8.227 13.716 228 1HA GLY 33 HA2 GLY 33 65.235 -6.705 14.121 229 2HA GLY 33 HA1 GLY 33 65.149 -7.492 15.699 230 H GLY 34 HN GLY 34 67.813 -5.551 14.353 231 1HA GLY 34 HA2 GLY 34 67.694 -3.867 16.792 232 2HA GLY 34 HA1 GLY 34 69.045 -3.940 15.661 233 H GLY 35 HN GLY 35 66.303 -3.791 13.812 234 1HA GLY 35 HA2 GLY 35 65.006 -1.938 12.997 235 2HA GLY 35 HA1 GLY 35 66.021 -0.844 13.939 236 H ASP 36 HN ASP 36 67.873 -3.143 12.289 237 HA ASP 36 HA ASP 36 68.042 -1.778 9.726 238 1HB ASP 36 HB2 ASP 36 70.492 -1.122 10.125 239 2HB ASP 36 HB1 ASP 36 69.275 -0.105 10.897 240 H ILE 37 HN ILE 37 69.368 -2.966 8.250 241 HA ILE 37 HA ILE 37 70.459 -5.508 9.375 242 HB ILE 37 HB ILE 37 69.082 -6.689 8.049 243 1HG1 ILE 37 HG12 ILE 37 70.937 -6.342 6.326 244 2HG1 ILE 37 HG11 ILE 37 69.350 -6.755 5.675 245 1HG2 ILE 37 HG22 ILE 37 68.163 -3.939 7.232 246 2HG2 ILE 37 HG21 ILE 37 67.467 -5.378 6.490 247 3HG2 ILE 37 HG23 ILE 37 67.334 -5.133 8.232 248 1HD1 ILE 37 HD12 ILE 37 69.489 -3.909 5.965 249 2HD1 ILE 37 HD11 ILE 37 70.930 -4.452 5.105 250 3HD1 ILE 37 HD13 ILE 37 69.327 -4.851 4.482 251 H SER 38 HN SER 38 72.445 -6.199 8.538 252 HA SER 38 HA SER 38 74.252 -4.196 7.636 253 1HB SER 38 HB2 SER 38 74.353 -7.016 8.236 254 2HB SER 38 HB1 SER 38 75.235 -6.700 6.746 255 HG SER 38 HG SER 38 75.588 -5.525 9.299 256 H THR 39 HN THR 39 74.994 -3.658 5.552 257 HA THR 39 HA THR 39 73.148 -4.020 3.393 258 HB THR 39 HB THR 39 74.644 -2.760 2.078 259 HG1 THR 39 HG1 THR 39 76.597 -3.887 3.774 260 1HG2 THR 39 HG23 THR 39 74.251 -2.056 4.825 261 2HG2 THR 39 HG22 THR 39 75.847 -1.498 4.329 262 3HG2 THR 39 HG21 THR 39 74.415 -0.984 3.434 263 H LYS 40 HN LYS 40 75.669 -6.006 4.614 264 HA LYS 40 HA LYS 40 76.472 -7.382 2.259 265 1HB LYS 40 HB2 LYS 40 76.266 -8.198 5.158 266 2HB LYS 40 HB1 LYS 40 76.788 -9.346 3.926 267 1HG LYS 40 HG2 LYS 40 78.564 -7.741 3.227 268 2HG LYS 40 HG1 LYS 40 78.077 -6.671 4.542 269 1HD LYS 40 HD2 LYS 40 79.129 -7.928 6.104 270 2HD LYS 40 HD1 LYS 40 78.532 -9.437 5.412 271 1HE LYS 40 HE2 LYS 40 81.051 -9.130 5.306 272 2HE LYS 40 HE1 LYS 40 80.271 -9.469 3.760 273 1HZ LYS 40 HZ2 LYS 40 80.378 -6.670 4.407 274 2HZ LYS 40 HZ1 LYS 40 81.915 -7.381 4.258 275 3HZ LYS 40 HZ3 LYS 40 80.812 -7.470 2.972 276 H ALA 41 HN ALA 41 73.553 -7.536 4.170 277 HA ALA 41 HA ALA 41 72.613 -9.972 2.791 278 1HB ALA 41 HB3 ALA 41 72.143 -9.183 5.283 279 2HB ALA 41 HB2 ALA 41 70.837 -8.282 4.514 280 3HB ALA 41 HB1 ALA 41 70.905 -10.038 4.363 281 H LEU 42 HN LEU 42 72.336 -6.508 2.558 282 HA LEU 42 HA LEU 42 69.924 -6.089 1.261 283 1HB LEU 42 HB2 LEU 42 72.569 -4.824 1.202 284 2HB LEU 42 HB1 LEU 42 71.701 -4.637 -0.318 285 HG LEU 42 HG LEU 42 71.052 -2.761 0.980 286 1HD1 LEU 42 HD12 LEU 42 69.171 -4.679 0.253 287 2HD1 LEU 42 HD11 LEU 42 68.729 -4.258 1.909 288 3HD1 LEU 42 HD13 LEU 42 68.835 -3.000 0.676 289 1HD2 LEU 42 HD21 LEU 42 71.245 -4.705 3.201 290 2HD2 LEU 42 HD23 LEU 42 71.627 -2.983 3.170 291 3HD2 LEU 42 HD22 LEU 42 69.955 -3.511 3.353 292 H GLY 43 HN GLY 43 72.832 -7.611 -0.041 293 1HA GLY 43 HA2 GLY 43 72.170 -7.708 -2.776 294 2HA GLY 43 HA1 GLY 43 73.114 -8.948 -1.949 295 H THR 44 HN THR 44 71.455 -10.228 -0.321 296 HA THR 44 HA THR 44 69.798 -11.793 -2.047 297 HB THR 44 HB THR 44 69.913 -11.529 0.968 298 HG1 THR 44 HG1 THR 44 70.900 -13.573 0.726 299 1HG2 THR 44 HG22 THR 44 68.067 -13.076 -0.800 300 2HG2 THR 44 HG21 THR 44 68.665 -13.862 0.662 301 3HG2 THR 44 HG23 THR 44 67.763 -12.350 0.778 302 H VAL 45 HN VAL 45 69.202 -8.941 -0.120 303 HA VAL 45 HA VAL 45 66.334 -9.069 -0.103 304 HB VAL 45 HB VAL 45 68.258 -6.733 0.072 305 1HG1 VAL 45 HG13 VAL 45 65.258 -6.868 0.454 306 2HG1 VAL 45 HG12 VAL 45 66.255 -5.536 1.036 307 3HG1 VAL 45 HG11 VAL 45 66.142 -5.862 -0.694 308 1HG2 VAL 45 HG22 VAL 45 67.446 -8.784 1.890 309 2HG2 VAL 45 HG21 VAL 45 68.491 -7.398 2.210 310 3HG2 VAL 45 HG23 VAL 45 66.748 -7.260 2.440 311 H MET 46 HN MET 46 68.682 -8.030 -2.489 312 HA MET 46 HA MET 46 66.898 -6.483 -4.125 313 1HB MET 46 HB2 MET 46 69.195 -8.079 -5.241 314 2HB MET 46 HB1 MET 46 68.618 -6.484 -5.727 315 1HG MET 46 HG2 MET 46 69.250 -5.991 -3.134 316 2HG MET 46 HG1 MET 46 70.435 -7.242 -3.510 317 1HE MET 46 HE1 MET 46 68.827 -4.041 -4.193 318 2HE MET 46 HE3 MET 46 70.268 -3.456 -3.353 319 3HE MET 46 HE2 MET 46 69.988 -3.020 -5.036 320 H ARG 47 HN ARG 47 67.916 -9.907 -4.318 321 HA ARG 47 HA ARG 47 66.163 -10.471 -6.554 322 1HB ARG 47 HB2 ARG 47 68.295 -11.754 -5.654 323 2HB ARG 47 HB1 ARG 47 67.099 -12.622 -4.689 324 1HG ARG 47 HG2 ARG 47 65.921 -12.563 -7.186 325 2HG ARG 47 HG1 ARG 47 67.629 -12.766 -7.573 326 1HD ARG 47 HD2 ARG 47 67.112 -14.467 -5.373 327 2HD ARG 47 HD1 ARG 47 65.781 -14.706 -6.507 328 HE ARG 47 HE ARG 47 67.330 -15.604 -8.077 329 1HH1 ARG 47 HH11 ARG 47 69.502 -13.622 -7.958 330 2HH1 ARG 47 HH12 ARG 47 70.786 -14.491 -7.185 331 1HH2 ARG 47 HH21 ARG 47 68.710 -16.980 -5.947 332 2HH2 ARG 47 HH22 ARG 47 70.337 -16.394 -6.048 333 H MET 48 HN MET 48 65.766 -10.420 -3.089 334 HA MET 48 HA MET 48 63.425 -12.124 -3.010 335 1HB MET 48 HB2 MET 48 64.995 -10.559 -1.136 336 2HB MET 48 HB1 MET 48 63.267 -10.333 -0.852 337 1HG MET 48 HG2 MET 48 62.992 -12.822 -0.880 338 2HG MET 48 HG1 MET 48 64.744 -12.976 -0.999 339 1HE MET 48 HE2 MET 48 61.693 -12.077 0.913 340 2HE MET 48 HE1 MET 48 62.202 -11.529 2.507 341 3HE MET 48 HE3 MET 48 62.396 -10.473 1.100 342 H LEU 49 HN LEU 49 63.901 -8.587 -3.122 343 HA LEU 49 HA LEU 49 61.018 -8.099 -3.232 344 1HB LEU 49 HB2 LEU 49 63.241 -6.158 -3.910 345 2HB LEU 49 HB1 LEU 49 61.596 -5.774 -3.400 346 HG LEU 49 HG LEU 49 63.727 -7.130 -1.725 347 1HD1 LEU 49 HD13 LEU 49 62.514 -4.377 -1.805 348 2HD1 LEU 49 HD12 LEU 49 63.168 -5.017 -0.298 349 3HD1 LEU 49 HD11 LEU 49 64.214 -4.834 -1.705 350 1HD2 LEU 49 HD22 LEU 49 60.864 -7.243 -1.571 351 2HD2 LEU 49 HD21 LEU 49 62.047 -7.945 -0.467 352 3HD2 LEU 49 HD23 LEU 49 61.464 -6.302 -0.205 353 H GLY 50 HN GLY 50 63.666 -7.379 -5.544 354 1HA GLY 50 HA2 GLY 50 62.507 -8.638 -7.787 355 2HA GLY 50 HA1 GLY 50 61.887 -6.987 -7.761 356 H GLN 51 HN GLN 51 63.981 -5.476 -6.969 357 HA GLN 51 HA GLN 51 65.558 -5.092 -9.232 358 1HB GLN 51 HB2 GLN 51 66.482 -4.620 -6.381 359 2HB GLN 51 HB1 GLN 51 67.074 -3.804 -7.828 360 1HG GLN 51 HG2 GLN 51 64.402 -3.343 -8.062 361 2HG GLN 51 HG1 GLN 51 64.572 -3.369 -6.307 362 1HE2 GLN 51 HE22 GLN 51 65.729 -0.049 -6.375 363 2HE2 GLN 51 HE21 GLN 51 64.713 -1.207 -5.660 364 H ASN 52 HN ASN 52 67.462 -5.973 -10.021 365 HA ASN 52 HA ASN 52 68.991 -7.865 -8.348 366 1HB ASN 52 HB2 ASN 52 67.062 -9.077 -9.606 367 2HB ASN 52 HB1 ASN 52 68.042 -8.809 -11.049 368 1HD2 ASN 52 HD22 ASN 52 70.193 -11.485 -10.308 369 2HD2 ASN 52 HD21 ASN 52 69.571 -10.407 -11.464 370 HA PRO 53 HA PRO 53 71.360 -5.362 -11.497 371 1HB PRO 53 HB2 PRO 53 72.681 -3.770 -9.686 372 2HB PRO 53 HB1 PRO 53 71.131 -3.331 -10.426 373 1HG PRO 53 HG2 PRO 53 71.687 -4.284 -7.653 374 2HG PRO 53 HG1 PRO 53 70.364 -3.266 -8.246 375 1HD PRO 53 HD2 PRO 53 70.185 -6.023 -7.640 376 2HD PRO 53 HD1 PRO 53 68.988 -5.075 -8.550 377 H THR 54 HN THR 54 73.855 -5.179 -11.515 378 HA THR 54 HA THR 54 74.975 -7.709 -10.596 379 HB THR 54 HB THR 54 77.099 -6.762 -11.606 380 HG1 THR 54 HG1 THR 54 76.772 -4.600 -11.398 381 1HG2 THR 54 HG23 THR 54 74.536 -6.854 -13.207 382 2HG2 THR 54 HG22 THR 54 76.126 -6.717 -13.956 383 3HG2 THR 54 HG21 THR 54 75.723 -8.141 -12.995 384 H LYS 55 HN LYS 55 76.686 -7.939 -9.057 385 HA LYS 55 HA LYS 55 76.484 -6.423 -6.691 386 1HB LYS 55 HB2 LYS 55 77.569 -8.650 -6.822 387 2HB LYS 55 HB1 LYS 55 78.918 -7.929 -7.700 388 1HG LYS 55 HG2 LYS 55 79.857 -7.173 -5.795 389 2HG LYS 55 HG1 LYS 55 78.338 -6.447 -5.267 390 1HD LYS 55 HD2 LYS 55 77.973 -8.128 -3.817 391 2HD LYS 55 HD1 LYS 55 78.170 -9.328 -5.097 392 1HE LYS 55 HE2 LYS 55 80.672 -9.044 -4.849 393 2HE LYS 55 HE1 LYS 55 80.351 -8.066 -3.416 394 1HZ LYS 55 HZ2 LYS 55 78.824 -10.290 -3.054 395 2HZ LYS 55 HZ1 LYS 55 80.252 -10.907 -3.737 396 3HZ LYS 55 HZ3 LYS 55 80.324 -9.982 -2.317 397 H GLU 56 HN GLU 56 78.113 -5.676 -9.643 398 HA GLU 56 HA GLU 56 80.135 -3.915 -8.664 399 1HB GLU 56 HB2 GLU 56 78.676 -4.234 -11.263 400 2HB GLU 56 HB1 GLU 56 79.651 -2.786 -11.012 401 1HG GLU 56 HG2 GLU 56 81.043 -5.199 -10.144 402 2HG GLU 56 HG1 GLU 56 80.598 -5.270 -11.850 403 H GLU 57 HN GLU 57 76.780 -3.237 -9.715 404 HA GLU 57 HA GLU 57 76.989 -0.436 -8.918 405 1HB GLU 57 HB2 GLU 57 74.997 -2.170 -10.212 406 2HB GLU 57 HB1 GLU 57 74.292 -0.962 -9.136 407 1HG GLU 57 HG2 GLU 57 74.777 0.718 -10.562 408 2HG GLU 57 HG1 GLU 57 76.438 0.158 -10.757 409 H LEU 58 HN LEU 58 76.302 -3.396 -7.322 410 HA LEU 58 HA LEU 58 74.571 -2.362 -5.251 411 1HB LEU 58 HB2 LEU 58 75.729 -4.878 -5.956 412 2HB LEU 58 HB1 LEU 58 76.134 -4.549 -4.271 413 HG LEU 58 HG LEU 58 73.352 -3.899 -5.007 414 1HD1 LEU 58 HD11 LEU 58 74.525 -6.535 -5.598 415 2HD1 LEU 58 HD13 LEU 58 73.106 -6.602 -4.554 416 3HD1 LEU 58 HD12 LEU 58 72.998 -5.836 -6.139 417 1HD2 LEU 58 HD21 LEU 58 74.933 -4.598 -2.716 418 2HD2 LEU 58 HD23 LEU 58 73.262 -4.036 -2.760 419 3HD2 LEU 58 HD22 LEU 58 73.616 -5.761 -2.862 420 H ASP 59 HN ASP 59 78.091 -2.965 -5.417 421 HA ASP 59 HA ASP 59 78.698 -2.100 -2.774 422 1HB ASP 59 HB2 ASP 59 80.265 -3.280 -4.383 423 2HB ASP 59 HB1 ASP 59 80.475 -1.731 -5.200 424 H ALA 60 HN ALA 60 78.521 -0.269 -5.830 425 HA ALA 60 HA ALA 60 79.306 2.244 -4.658 426 1HB ALA 60 HB1 ALA 60 77.993 1.399 -7.219 427 2HB ALA 60 HB3 ALA 60 77.979 3.106 -6.776 428 3HB ALA 60 HB2 ALA 60 79.514 2.258 -6.975 429 H ILE 61 HN ILE 61 76.271 0.520 -4.857 430 HA ILE 61 HA ILE 61 74.621 2.835 -4.214 431 HB ILE 61 HB ILE 61 74.152 -0.144 -4.340 432 1HG1 ILE 61 HG12 ILE 61 72.482 1.887 -5.737 433 2HG1 ILE 61 HG11 ILE 61 74.155 1.737 -6.278 434 1HG2 ILE 61 HG22 ILE 61 72.265 1.997 -3.316 435 2HG2 ILE 61 HG21 ILE 61 71.735 0.400 -3.845 436 3HG2 ILE 61 HG23 ILE 61 72.810 0.555 -2.456 437 1HD1 ILE 61 HD11 ILE 61 73.444 -0.891 -6.067 438 2HD1 ILE 61 HD13 ILE 61 71.910 -0.167 -6.551 439 3HD1 ILE 61 HD12 ILE 61 73.343 0.040 -7.560 440 H ILE 62 HN ILE 62 76.282 0.315 -2.403 441 HA ILE 62 HA ILE 62 74.959 0.690 0.103 442 HB ILE 62 HB ILE 62 77.809 -0.170 -0.485 443 1HG1 ILE 62 HG12 ILE 62 75.456 -1.917 0.253 444 2HG1 ILE 62 HG11 ILE 62 75.789 -1.493 -1.427 445 1HG2 ILE 62 HG22 ILE 62 76.895 0.639 1.936 446 2HG2 ILE 62 HG21 ILE 62 76.381 -1.048 1.967 447 3HG2 ILE 62 HG23 ILE 62 78.084 -0.650 1.738 448 1HD1 ILE 62 HD13 ILE 62 78.243 -2.305 -0.174 449 2HD1 ILE 62 HD12 ILE 62 77.015 -3.536 0.123 450 3HD1 ILE 62 HD11 ILE 62 77.402 -3.057 -1.530 451 H GLU 63 HN GLU 63 78.044 2.069 -1.092 452 HA GLU 63 HA GLU 63 78.390 3.807 1.171 453 1HB GLU 63 HB2 GLU 63 80.046 4.975 -0.288 454 2HB GLU 63 HB1 GLU 63 80.282 3.227 -0.257 455 1HG GLU 63 HG2 GLU 63 80.015 3.133 -2.487 456 2HG GLU 63 HG1 GLU 63 78.410 3.852 -2.335 457 H GLU 64 HN GLU 64 76.181 3.924 -1.390 458 HA GLU 64 HA GLU 64 75.968 6.886 -1.277 459 1HB GLU 64 HB2 GLU 64 75.139 4.779 -3.189 460 2HB GLU 64 HB1 GLU 64 74.009 6.122 -3.001 461 1HG GLU 64 HG2 GLU 64 76.857 6.895 -3.227 462 2HG GLU 64 HG1 GLU 64 76.153 6.183 -4.679 463 H VAL 65 HN VAL 65 74.474 4.013 -0.063 464 HA VAL 65 HA VAL 65 71.935 5.376 0.561 465 HB VAL 65 HB VAL 65 72.971 2.610 1.251 466 1HG1 VAL 65 HG13 VAL 65 70.912 4.094 2.482 467 2HG1 VAL 65 HG12 VAL 65 70.101 2.967 1.393 468 3HG1 VAL 65 HG11 VAL 65 71.204 2.362 2.629 469 1HG2 VAL 65 HG21 VAL 65 72.036 3.643 -1.160 470 2HG2 VAL 65 HG23 VAL 65 72.082 1.936 -0.719 471 3HG2 VAL 65 HG22 VAL 65 70.612 2.875 -0.460 472 H ASP 66 HN ASP 66 74.841 4.241 2.252 473 HA ASP 66 HA ASP 66 73.810 5.061 4.866 474 1HB ASP 66 HB2 ASP 66 76.376 3.920 3.823 475 2HB ASP 66 HB1 ASP 66 76.394 4.736 5.387 476 H GLU 67 HN GLU 67 73.309 7.315 4.247 477 HA GLU 67 HA GLU 67 75.302 9.158 3.353 478 1HB GLU 67 HB2 GLU 67 73.722 10.865 4.503 479 2HB GLU 67 HB1 GLU 67 73.075 9.913 3.167 480 1HG GLU 67 HG2 GLU 67 72.791 8.507 5.697 481 2HG GLU 67 HG1 GLU 67 72.008 10.086 5.749 482 H ASP 68 HN ASP 68 74.509 7.890 6.528 483 HA ASP 68 HA ASP 68 76.284 9.846 7.855 484 1HB ASP 68 HB2 ASP 68 75.645 8.458 9.915 485 2HB ASP 68 HB1 ASP 68 74.333 9.332 9.124 486 H GLY 69 HN GLY 69 76.557 6.843 6.317 487 1HA GLY 69 HA2 GLY 69 78.303 5.278 6.220 488 2HA GLY 69 HA1 GLY 69 79.334 6.575 6.823 489 H SER 70 HN SER 70 76.547 5.101 8.460 490 HA SER 70 HA SER 70 78.154 4.733 10.874 491 1HB SER 70 HB2 SER 70 75.896 3.509 11.545 492 2HB SER 70 HB1 SER 70 75.973 5.266 11.449 493 HG SER 70 HG SER 70 74.252 4.723 10.225 494 H GLY 71 HN GLY 71 77.207 2.805 8.150 495 1HA GLY 71 HA2 GLY 71 78.342 0.734 7.614 496 2HA GLY 71 HA1 GLY 71 78.675 0.507 9.332 497 H THR 72 HN THR 72 75.489 1.543 8.548 498 HA THR 72 HA THR 72 74.414 -1.193 8.370 499 HB THR 72 HB THR 72 72.843 -0.195 10.409 500 HG1 THR 72 HG1 THR 72 74.636 0.299 11.960 501 1HG2 THR 72 HG23 THR 72 74.422 -2.409 9.905 502 2HG2 THR 72 HG22 THR 72 75.145 -1.735 11.365 503 3HG2 THR 72 HG21 THR 72 73.435 -2.166 11.347 504 H ILE 73 HN ILE 73 72.220 -1.199 7.646 505 HA ILE 73 HA ILE 73 71.345 1.425 6.536 506 HB ILE 73 HB ILE 73 70.397 -1.371 5.851 507 1HG1 ILE 73 HG12 ILE 73 72.848 -0.778 5.339 508 2HG1 ILE 73 HG11 ILE 73 71.867 -1.315 3.978 509 1HG2 ILE 73 HG21 ILE 73 69.750 1.385 4.881 510 2HG2 ILE 73 HG23 ILE 73 69.755 0.064 3.712 511 3HG2 ILE 73 HG22 ILE 73 68.683 -0.001 5.110 512 1HD1 ILE 73 HD13 ILE 73 71.737 1.585 4.450 513 2HD1 ILE 73 HD12 ILE 73 73.349 1.006 4.027 514 3HD1 ILE 73 HD11 ILE 73 71.991 0.700 2.945 515 H ASP 74 HN ASP 74 69.416 2.328 7.176 516 HA ASP 74 HA ASP 74 67.833 0.794 9.198 517 1HB ASP 74 HB2 ASP 74 68.275 3.773 8.853 518 2HB ASP 74 HB1 ASP 74 67.056 3.096 9.935 519 H PHE 75 HN PHE 75 65.440 1.464 9.188 520 HA PHE 75 HA PHE 75 64.247 0.881 6.717 521 1HB PHE 75 HB2 PHE 75 63.190 1.008 9.091 522 2HB PHE 75 HB1 PHE 75 62.889 2.701 8.697 523 HD1 PHE 75 HD2 PHE 75 62.776 -0.470 6.697 524 HD2 PHE 75 HD1 PHE 75 60.664 3.010 8.068 525 HE1 PHE 75 HE2 PHE 75 60.806 -1.132 5.341 526 HE2 PHE 75 HE1 PHE 75 58.696 2.350 6.710 527 HZ PHE 75 HZ PHE 75 58.766 0.278 5.348 528 H GLU 76 HN GLU 76 64.887 4.090 8.149 529 HA GLU 76 HA GLU 76 63.726 5.627 6.054 530 1HB GLU 76 HB2 GLU 76 65.523 7.358 6.832 531 2HB GLU 76 HB1 GLU 76 64.275 6.861 7.976 532 1HG GLU 76 HG2 GLU 76 65.739 5.592 9.237 533 2HG GLU 76 HG1 GLU 76 66.791 5.251 7.864 534 H GLU 77 HN GLU 77 66.914 4.128 6.370 535 HA GLU 77 HA GLU 77 67.936 5.383 3.934 536 1HB GLU 77 HB2 GLU 77 69.000 2.995 5.477 537 2HB GLU 77 HB1 GLU 77 69.876 3.921 4.258 538 1HG GLU 77 HG2 GLU 77 69.479 5.973 5.726 539 2HG GLU 77 HG1 GLU 77 68.955 4.852 6.983 540 H PHE 78 HN PHE 78 65.974 2.673 4.688 541 HA PHE 78 HA PHE 78 66.650 0.962 2.479 542 1HB PHE 78 HB2 PHE 78 64.900 0.848 4.646 543 2HB PHE 78 HB1 PHE 78 63.830 0.900 3.246 544 HD1 PHE 78 HD2 PHE 78 63.953 -0.837 1.497 545 HD2 PHE 78 HD1 PHE 78 66.383 -1.030 5.033 546 HE1 PHE 78 HE2 PHE 78 64.450 -3.221 1.025 547 HE2 PHE 78 HE1 PHE 78 66.880 -3.413 4.561 548 HZ PHE 78 HZ PHE 78 65.913 -4.508 2.558 549 H LEU 79 HN LEU 79 63.805 3.092 2.894 550 HA LEU 79 HA LEU 79 62.766 3.006 0.327 551 1HB LEU 79 HB2 LEU 79 63.087 5.571 1.914 552 2HB LEU 79 HB1 LEU 79 61.839 5.209 0.719 553 HG LEU 79 HG LEU 79 62.223 3.876 3.415 554 1HD1 LEU 79 HD13 LEU 79 60.081 5.643 2.209 555 2HD1 LEU 79 HD12 LEU 79 59.843 4.714 3.690 556 3HD1 LEU 79 HD11 LEU 79 61.077 5.973 3.628 557 1HD2 LEU 79 HD22 LEU 79 60.868 2.994 0.945 558 2HD2 LEU 79 HD21 LEU 79 61.381 2.050 2.343 559 3HD2 LEU 79 HD23 LEU 79 59.856 2.935 2.389 560 H VAL 80 HN VAL 80 65.742 4.502 1.372 561 HA VAL 80 HA VAL 80 66.143 6.151 -0.966 562 HB VAL 80 HB VAL 80 68.086 5.004 1.057 563 1HG1 VAL 80 HG12 VAL 80 68.476 6.645 -1.403 564 2HG1 VAL 80 HG11 VAL 80 69.404 7.100 0.026 565 3HG1 VAL 80 HG13 VAL 80 69.561 5.478 -0.647 566 1HG2 VAL 80 HG22 VAL 80 66.359 7.395 0.887 567 2HG2 VAL 80 HG21 VAL 80 67.047 6.601 2.304 568 3HG2 VAL 80 HG23 VAL 80 68.025 7.726 1.361 569 H MET 81 HN MET 81 67.485 2.977 -0.006 570 HA MET 81 HA MET 81 68.924 2.495 -2.405 571 1HB MET 81 HB2 MET 81 68.851 1.181 -0.128 572 2HB MET 81 HB1 MET 81 67.584 0.251 -0.926 573 1HG MET 81 HG2 MET 81 69.081 -0.314 -2.757 574 2HG MET 81 HG1 MET 81 70.341 0.726 -2.091 575 1HE MET 81 HE3 MET 81 71.326 0.493 0.208 576 2HE MET 81 HE2 MET 81 69.838 0.145 1.084 577 3HE MET 81 HE1 MET 81 71.227 -0.923 1.264 578 H MET 82 HN MET 82 65.522 1.959 -1.596 579 HA MET 82 HA MET 82 64.901 0.411 -3.947 580 1HB MET 82 HB2 MET 82 62.997 2.191 -2.406 581 2HB MET 82 HB1 MET 82 62.597 0.762 -3.359 582 1HG MET 82 HG2 MET 82 64.177 0.845 -0.776 583 2HG MET 82 HG1 MET 82 62.591 0.117 -1.028 584 1HE MET 82 HE2 MET 82 62.170 -1.321 -3.001 585 2HE MET 82 HE1 MET 82 63.451 -1.236 -4.207 586 3HE MET 82 HE3 MET 82 63.124 -2.756 -3.365 587 H VAL 83 HN VAL 83 64.105 3.829 -3.194 588 HA VAL 83 HA VAL 83 63.369 4.444 -5.902 589 HB VAL 83 HB VAL 83 64.308 6.344 -3.733 590 1HG1 VAL 83 HG11 VAL 83 62.598 6.741 -6.208 591 2HG1 VAL 83 HG13 VAL 83 62.916 7.973 -4.988 592 3HG1 VAL 83 HG12 VAL 83 64.237 7.348 -5.975 593 1HG2 VAL 83 HG22 VAL 83 61.621 5.100 -4.352 594 2HG2 VAL 83 HG21 VAL 83 62.484 5.116 -2.814 595 3HG2 VAL 83 HG23 VAL 83 61.767 6.602 -3.437 596 H ARG 84 HN ARG 84 66.399 3.899 -4.489 597 HA ARG 84 HA ARG 84 68.068 5.780 -5.794 598 1HB ARG 84 HB2 ARG 84 68.393 3.158 -4.517 599 2HB ARG 84 HB1 ARG 84 69.543 3.436 -5.824 600 1HG ARG 84 HG2 ARG 84 69.869 5.776 -4.717 601 2HG ARG 84 HG1 ARG 84 69.150 5.019 -3.296 602 1HD ARG 84 HD2 ARG 84 71.206 4.231 -2.811 603 2HD ARG 84 HD1 ARG 84 71.015 3.145 -4.188 604 HE ARG 84 HE ARG 84 72.993 5.039 -4.144 605 1HH1 ARG 84 HH21 ARG 84 71.505 7.190 -5.252 606 2HH1 ARG 84 HH22 ARG 84 71.480 6.890 -6.958 607 1HH2 ARG 84 HH11 ARG 84 72.354 3.549 -6.653 608 2HH2 ARG 84 HH12 ARG 84 71.961 4.829 -7.752 609 H GLN 85 HN GLN 85 66.499 2.868 -6.995 610 HA GLN 85 HA GLN 85 67.009 3.718 -9.748 611 1HB GLN 85 HB2 GLN 85 68.224 1.746 -10.444 612 2HB GLN 85 HB1 GLN 85 69.094 2.464 -9.088 613 1HG GLN 85 HG2 GLN 85 67.080 0.619 -8.129 614 2HG GLN 85 HG1 GLN 85 68.149 -0.183 -9.280 615 1HE2 GLN 85 HE22 GLN 85 69.800 1.351 -5.830 616 2HE2 GLN 85 HE21 GLN 85 68.377 2.047 -6.442 617 H MET 86 HN MET 86 64.634 3.341 -8.218 618 HA MET 86 HA MET 86 63.479 0.743 -8.852 619 1HB MET 86 HB2 MET 86 61.442 1.626 -7.913 620 2HB MET 86 HB1 MET 86 62.772 2.214 -6.914 621 1HG MET 86 HG2 MET 86 62.774 4.330 -8.255 622 2HG MET 86 HG1 MET 86 61.342 3.745 -9.104 623 1HE MET 86 HE3 MET 86 59.297 2.966 -8.065 624 2HE MET 86 HE2 MET 86 59.824 2.158 -6.592 625 3HE MET 86 HE1 MET 86 58.634 3.455 -6.501 626 H LYS 87 HN LYS 87 63.999 3.637 -10.592 627 HA LYS 87 HA LYS 87 61.758 3.104 -12.461 628 1HB LYS 87 HB2 LYS 87 63.765 5.352 -12.202 629 2HB LYS 87 HB1 LYS 87 62.683 5.209 -13.589 630 1HG LYS 87 HG2 LYS 87 60.819 5.750 -12.369 631 2HG LYS 87 HG1 LYS 87 61.426 4.972 -10.905 632 1HD LYS 87 HD2 LYS 87 62.382 6.883 -10.149 633 2HD LYS 87 HD1 LYS 87 63.021 7.292 -11.742 634 1HE LYS 87 HE2 LYS 87 60.855 8.154 -12.443 635 2HE LYS 87 HE1 LYS 87 60.121 7.634 -10.925 636 1HZ LYS 87 HZ2 LYS 87 61.765 9.108 -9.788 637 2HZ LYS 87 HZ1 LYS 87 62.185 9.728 -11.313 638 3HZ LYS 87 HZ3 LYS 87 60.607 9.926 -10.723 639 H GLU 88 HN GLU 88 65.250 2.839 -12.228 640 HA GLU 88 HA GLU 88 66.840 2.059 -13.786 641 1HB GLU 88 HB2 GLU 88 64.525 0.289 -14.619 642 2HB GLU 88 HB1 GLU 88 66.246 -0.071 -14.765 643 1HG GLU 88 HG2 GLU 88 66.428 -0.678 -12.581 644 2HG GLU 88 HG1 GLU 88 65.376 0.628 -12.034 645 H ASP 89 HN ASP 89 65.247 4.342 -14.679 646 HA ASP 89 HA ASP 89 65.644 3.971 -17.593 647 1HB ASP 89 HB2 ASP 89 63.056 4.864 -16.299 648 2HB ASP 89 HB1 ASP 89 63.436 5.167 -17.995 649 H ALA 90 HN ALA 90 66.748 5.536 -15.162 650 HA ALA 90 HA ALA 90 66.818 8.157 -16.580 651 1HB ALA 90 HB2 ALA 90 66.358 7.704 -13.620 652 2HB ALA 90 HB1 ALA 90 66.798 9.265 -14.309 653 3HB ALA 90 HB3 ALA 90 65.273 8.504 -14.757 No H/Q in entry = 653 Start of MODEL 32 1 1H ALA 1 HT1 ALA 1 66.831 13.617 15.763 2 2H ALA 1 HT3 ALA 1 65.347 13.614 16.583 3 3H ALA 1 HT2 ALA 1 66.359 12.250 16.657 4 HA ALA 1 HA ALA 1 65.161 11.418 14.997 5 1HB ALA 1 HB3 ALA 1 64.104 14.204 15.004 6 2HB ALA 1 HB2 ALA 1 63.842 13.254 13.541 7 3HB ALA 1 HB1 ALA 1 63.235 12.673 15.093 8 H SER 2 HN SER 2 65.884 14.591 13.530 9 HA SER 2 HA SER 2 67.386 15.147 11.802 10 1HB SER 2 HB2 SER 2 68.646 12.472 11.682 11 2HB SER 2 HB1 SER 2 69.392 14.064 11.776 12 HG SER 2 HG SER 2 68.771 14.098 13.998 13 H MET 3 HN MET 3 67.848 14.444 9.490 14 HA MET 3 HA MET 3 66.627 12.194 8.275 15 1HB MET 3 HB2 MET 3 64.603 13.288 7.285 16 2HB MET 3 HB1 MET 3 64.495 13.102 9.036 17 1HG MET 3 HG2 MET 3 65.788 15.583 8.553 18 2HG MET 3 HG1 MET 3 64.385 15.520 7.484 19 1HE MET 3 HE1 MET 3 62.503 15.878 7.784 20 2HE MET 3 HE3 MET 3 61.453 15.319 9.092 21 3HE MET 3 HE2 MET 3 62.036 16.982 9.076 22 H THR 4 HN THR 4 68.425 12.318 6.903 23 HA THR 4 HA THR 4 69.370 14.672 5.618 24 HB THR 4 HB THR 4 70.418 13.068 3.983 25 HG1 THR 4 HG1 THR 4 70.042 10.888 4.317 26 1HG2 THR 4 HG22 THR 4 70.749 13.184 6.867 27 2HG2 THR 4 HG21 THR 4 71.253 11.620 6.230 28 3HG2 THR 4 HG23 THR 4 71.978 13.102 5.606 29 H ASP 5 HN ASP 5 68.848 15.620 3.633 30 HA ASP 5 HA ASP 5 66.193 15.520 2.703 31 1HB ASP 5 HB2 ASP 5 68.759 16.343 1.328 32 2HB ASP 5 HB1 ASP 5 67.181 16.517 0.560 33 H GLN 6 HN GLN 6 68.865 13.398 2.021 34 HA GLN 6 HA GLN 6 67.987 12.280 -0.445 35 1HB GLN 6 HB2 GLN 6 69.606 11.187 1.855 36 2HB GLN 6 HB1 GLN 6 69.224 10.191 0.450 37 1HG GLN 6 HG2 GLN 6 70.095 12.357 -0.850 38 2HG GLN 6 HG1 GLN 6 70.992 12.588 0.651 39 1HE2 GLN 6 HE22 GLN 6 72.585 9.244 0.197 40 2HE2 GLN 6 HE21 GLN 6 71.617 9.968 1.390 41 H GLN 7 HN GLN 7 67.222 11.374 2.919 42 HA GLN 7 HA GLN 7 65.440 9.224 2.098 43 1HB GLN 7 HB2 GLN 7 65.524 10.633 4.779 44 2HB GLN 7 HB1 GLN 7 64.920 9.010 4.440 45 1HG GLN 7 HG2 GLN 7 67.088 8.157 4.046 46 2HG GLN 7 HG1 GLN 7 67.776 9.768 3.840 47 1HE2 GLN 7 HE22 GLN 7 68.092 8.181 7.418 48 2HE2 GLN 7 HE21 GLN 7 68.006 7.338 5.947 49 H ALA 8 HN ALA 8 65.168 12.640 2.415 50 HA ALA 8 HA ALA 8 62.330 12.765 2.962 51 1HB ALA 8 HB1 ALA 8 64.397 14.607 2.821 52 2HB ALA 8 HB3 ALA 8 63.420 14.994 1.404 53 3HB ALA 8 HB2 ALA 8 62.687 15.000 3.008 54 H GLU 9 HN GLU 9 64.229 13.155 -0.049 55 HA GLU 9 HA GLU 9 61.938 13.345 -1.762 56 1HB GLU 9 HB2 GLU 9 64.772 13.358 -2.053 57 2HB GLU 9 HB1 GLU 9 64.134 12.132 -3.149 58 1HG GLU 9 HG2 GLU 9 62.713 13.699 -4.242 59 2HG GLU 9 HG1 GLU 9 62.941 14.903 -2.974 60 H ALA 10 HN ALA 10 63.765 10.608 -0.493 61 HA ALA 10 HA ALA 10 62.701 8.596 -2.219 62 1HB ALA 10 HB1 ALA 10 64.631 8.283 -0.641 63 2HB ALA 10 HB3 ALA 10 63.478 8.278 0.694 64 3HB ALA 10 HB2 ALA 10 63.420 7.007 -0.529 65 H ARG 11 HN ARG 11 61.609 9.693 1.008 66 HA ARG 11 HA ARG 11 59.267 8.007 1.019 67 1HB ARG 11 HB2 ARG 11 60.046 10.478 2.584 68 2HB ARG 11 HB1 ARG 11 58.515 9.641 2.841 69 1HG ARG 11 HG2 ARG 11 59.933 7.506 3.112 70 2HG ARG 11 HG1 ARG 11 61.312 8.593 3.273 71 1HD ARG 11 HD2 ARG 11 58.961 8.232 5.096 72 2HD ARG 11 HD1 ARG 11 60.671 8.380 5.497 73 HE ARG 11 HE ARG 11 60.136 10.857 4.497 74 1HH1 ARG 11 HH11 ARG 11 59.937 9.564 7.463 75 2HH1 ARG 11 HH12 ARG 11 58.623 10.529 8.051 76 1HH2 ARG 11 HH21 ARG 11 57.807 11.794 4.927 77 2HH2 ARG 11 HH22 ARG 11 57.418 11.791 6.614 78 H ALA 12 HN ALA 12 59.974 11.186 -0.271 79 HA ALA 12 HA ALA 12 57.226 12.022 -0.604 80 1HB ALA 12 HB2 ALA 12 59.830 12.884 -1.881 81 2HB ALA 12 HB1 ALA 12 58.283 13.613 -2.310 82 3HB ALA 12 HB3 ALA 12 58.888 13.737 -0.658 83 H PHE 13 HN PHE 13 59.468 10.099 -2.510 84 HA PHE 13 HA PHE 13 57.664 10.089 -4.839 85 1HB PHE 13 HB2 PHE 13 60.170 10.065 -5.067 86 2HB PHE 13 HB1 PHE 13 60.169 8.451 -4.355 87 HD1 PHE 13 HD2 PHE 13 58.637 6.675 -5.477 88 HD2 PHE 13 HD1 PHE 13 59.857 10.327 -7.376 89 HE1 PHE 13 HE2 PHE 13 58.116 5.695 -7.696 90 HE2 PHE 13 HE1 PHE 13 59.337 9.348 -9.595 91 HZ PHE 13 HZ PHE 13 58.467 7.031 -9.755 92 H LEU 14 HN LEU 14 58.436 8.088 -2.073 93 HA LEU 14 HA LEU 14 56.863 5.829 -3.175 94 1HB LEU 14 HB2 LEU 14 58.309 6.088 -0.519 95 2HB LEU 14 HB1 LEU 14 57.607 4.611 -1.181 96 HG LEU 14 HG LEU 14 59.787 6.214 -2.545 97 1HD1 LEU 14 HD12 LEU 14 60.217 4.905 -0.263 98 2HD1 LEU 14 HD11 LEU 14 60.240 3.513 -1.343 99 3HD1 LEU 14 HD13 LEU 14 61.379 4.835 -1.588 100 1HD2 LEU 14 HD23 LEU 14 58.005 4.196 -3.454 101 2HD2 LEU 14 HD22 LEU 14 59.398 4.861 -4.305 102 3HD2 LEU 14 HD21 LEU 14 59.587 3.436 -3.282 103 H SER 15 HN SER 15 54.833 5.287 -2.402 104 HA SER 15 HA SER 15 53.590 7.245 -0.529 105 1HB SER 15 HB2 SER 15 51.441 6.109 -1.374 106 2HB SER 15 HB1 SER 15 52.324 7.094 -2.537 107 HG SER 15 HG SER 15 52.737 4.307 -2.224 108 H GLU 16 HN GLU 16 51.843 6.166 0.926 109 HA GLU 16 HA GLU 16 53.117 4.308 2.669 110 1HB GLU 16 HB2 GLU 16 50.314 5.328 2.353 111 2HB GLU 16 HB1 GLU 16 50.607 3.957 3.425 112 1HG GLU 16 HG2 GLU 16 52.329 5.281 4.623 113 2HG GLU 16 HG1 GLU 16 51.979 6.659 3.577 114 H GLU 17 HN GLU 17 51.449 3.825 -0.295 115 HA GLU 17 HA GLU 17 50.483 1.151 0.173 116 1HB GLU 17 HB2 GLU 17 51.240 2.518 -2.426 117 2HB GLU 17 HB1 GLU 17 50.309 1.027 -2.289 118 1HG GLU 17 HG2 GLU 17 48.688 2.357 -0.813 119 2HG GLU 17 HG1 GLU 17 49.520 3.800 -1.389 120 H MET 18 HN MET 18 53.124 2.033 -2.075 121 HA MET 18 HA MET 18 54.288 -0.585 -1.989 122 1HB MET 18 HB2 MET 18 54.686 1.775 -3.457 123 2HB MET 18 HB1 MET 18 56.219 1.486 -2.633 124 1HG MET 18 HG2 MET 18 56.464 0.220 -4.588 125 2HG MET 18 HG1 MET 18 55.890 -0.983 -3.432 126 1HE MET 18 HE3 MET 18 54.364 1.974 -5.290 127 2HE MET 18 HE2 MET 18 55.092 1.112 -6.641 128 3HE MET 18 HE1 MET 18 53.339 1.248 -6.535 129 H ILE 19 HN ILE 19 54.948 2.387 -0.197 130 HA ILE 19 HA ILE 19 57.360 1.607 1.068 131 HB ILE 19 HB ILE 19 55.093 3.377 2.013 132 1HG1 ILE 19 HG12 ILE 19 57.834 3.904 0.820 133 2HG1 ILE 19 HG11 ILE 19 56.275 4.210 0.055 134 1HG2 ILE 19 HG21 ILE 19 57.482 2.385 3.409 135 2HG2 ILE 19 HG23 ILE 19 57.348 4.143 3.400 136 3HG2 ILE 19 HG22 ILE 19 56.040 3.162 4.062 137 1HD1 ILE 19 HD11 ILE 19 57.279 5.540 2.588 138 2HD1 ILE 19 HD13 ILE 19 57.221 6.289 0.993 139 3HD1 ILE 19 HD12 ILE 19 55.724 5.847 1.815 140 H ALA 20 HN ALA 20 53.997 0.836 1.830 141 HA ALA 20 HA ALA 20 54.502 -0.317 4.412 142 1HB ALA 20 HB1 ALA 20 52.269 -0.103 2.556 143 2HB ALA 20 HB3 ALA 20 52.317 -1.686 3.334 144 3HB ALA 20 HB2 ALA 20 52.250 -0.222 4.316 145 H GLU 21 HN GLU 21 54.851 -1.521 1.144 146 HA GLU 21 HA GLU 21 55.000 -4.324 1.898 147 1HB GLU 21 HB2 GLU 21 55.816 -2.808 -0.592 148 2HB GLU 21 HB1 GLU 21 56.007 -4.555 -0.427 149 1HG GLU 21 HG2 GLU 21 53.506 -4.582 0.216 150 2HG GLU 21 HG1 GLU 21 53.454 -2.948 -0.448 151 H PHE 22 HN PHE 22 57.478 -1.935 0.890 152 HA PHE 22 HA PHE 22 59.739 -3.572 1.311 153 1HB PHE 22 HB2 PHE 22 59.416 -0.579 1.680 154 2HB PHE 22 HB1 PHE 22 60.972 -1.410 1.670 155 HD1 PHE 22 HD1 PHE 22 60.905 -3.334 -0.399 156 HD2 PHE 22 HD2 PHE 22 59.029 0.530 -0.330 157 HE1 PHE 22 HE1 PHE 22 60.920 -3.282 -2.878 158 HE2 PHE 22 HE2 PHE 22 59.044 0.582 -2.810 159 HZ PHE 22 HZ PHE 22 59.989 -1.325 -4.083 160 H LYS 23 HN LYS 23 57.701 -1.904 3.623 161 HA LYS 23 HA LYS 23 59.472 -1.945 5.860 162 1HB LYS 23 HB2 LYS 23 57.378 -0.662 5.876 163 2HB LYS 23 HB1 LYS 23 56.448 -2.159 5.794 164 1HG LYS 23 HG2 LYS 23 56.490 -1.500 8.105 165 2HG LYS 23 HG1 LYS 23 57.600 -2.864 7.945 166 1HD LYS 23 HD2 LYS 23 59.388 -0.979 7.508 167 2HD LYS 23 HD1 LYS 23 58.222 0.045 8.345 168 1HE LYS 23 HE2 LYS 23 58.521 -2.445 9.768 169 2HE LYS 23 HE1 LYS 23 60.105 -1.710 9.515 170 1HZ LYS 23 HZ3 LYS 23 58.925 0.428 10.273 171 2HZ LYS 23 HZ2 LYS 23 57.757 -0.621 10.925 172 3HZ LYS 23 HZ1 LYS 23 59.372 -0.713 11.446 173 H ALA 24 HN ALA 24 57.151 -4.356 4.659 174 HA ALA 24 HA ALA 24 57.502 -6.215 6.807 175 1HB ALA 24 HB2 ALA 24 56.030 -6.093 4.396 176 2HB ALA 24 HB1 ALA 24 57.006 -7.560 4.302 177 3HB ALA 24 HB3 ALA 24 55.909 -7.317 5.662 178 H ALA 25 HN ALA 25 59.299 -5.656 3.818 179 HA ALA 25 HA ALA 25 60.920 -8.060 4.102 180 1HB ALA 25 HB1 ALA 25 60.749 -5.771 2.246 181 2HB ALA 25 HB3 ALA 25 62.374 -6.418 2.464 182 3HB ALA 25 HB2 ALA 25 61.074 -7.472 1.910 183 H PHE 26 HN PHE 26 61.106 -4.748 5.223 184 HA PHE 26 HA PHE 26 63.872 -4.566 5.798 185 1HB PHE 26 HB2 PHE 26 62.086 -2.746 6.024 186 2HB PHE 26 HB1 PHE 26 61.696 -3.467 7.586 187 HD1 PHE 26 HD1 PHE 26 64.927 -2.860 5.777 188 HD2 PHE 26 HD2 PHE 26 62.586 -2.174 9.311 189 HE1 PHE 26 HE1 PHE 26 66.837 -1.659 6.810 190 HE2 PHE 26 HE2 PHE 26 64.494 -0.973 10.344 191 HZ PHE 26 HZ PHE 26 66.621 -0.715 9.093 192 H ASP 27 HN ASP 27 61.349 -5.271 8.240 193 HA ASP 27 HA ASP 27 63.102 -6.262 10.211 194 1HB ASP 27 HB2 ASP 27 60.195 -6.747 9.608 195 2HB ASP 27 HB1 ASP 27 60.987 -7.631 10.913 196 H MET 28 HN MET 28 62.137 -7.703 7.236 197 HA MET 28 HA MET 28 62.394 -10.467 7.906 198 1HB MET 28 HB2 MET 28 61.894 -8.982 5.585 199 2HB MET 28 HB1 MET 28 63.393 -9.849 5.243 200 1HG MET 28 HG2 MET 28 62.371 -11.970 5.777 201 2HG MET 28 HG1 MET 28 60.913 -11.174 6.369 202 1HE MET 28 HE3 MET 28 63.407 -11.068 3.723 203 2HE MET 28 HE2 MET 28 62.700 -12.409 2.825 204 3HE MET 28 HE1 MET 28 62.579 -10.770 2.189 205 H PHE 29 HN PHE 29 64.808 -8.163 6.610 206 HA PHE 29 HA PHE 29 66.949 -10.148 7.004 207 1HB PHE 29 HB2 PHE 29 67.196 -7.237 6.194 208 2HB PHE 29 HB1 PHE 29 68.405 -8.503 5.986 209 HD1 PHE 29 HD2 PHE 29 65.143 -7.215 4.831 210 HD2 PHE 29 HD1 PHE 29 68.204 -10.169 4.232 211 HE1 PHE 29 HE2 PHE 29 64.138 -7.812 2.643 212 HE2 PHE 29 HE1 PHE 29 67.200 -10.764 2.043 213 HZ PHE 29 HZ PHE 29 65.168 -9.585 1.248 214 H ASP 30 HN ASP 30 65.308 -8.612 9.211 215 HA ASP 30 HA ASP 30 67.635 -7.480 10.690 216 1HB ASP 30 HB2 ASP 30 64.875 -6.758 10.487 217 2HB ASP 30 HB1 ASP 30 65.199 -7.217 12.159 218 H ALA 31 HN ALA 31 68.673 -9.123 11.757 219 HA ALA 31 HA ALA 31 67.342 -11.497 12.712 220 1HB ALA 31 HB1 ALA 31 69.806 -11.301 12.172 221 2HB ALA 31 HB3 ALA 31 69.994 -10.380 13.663 222 3HB ALA 31 HB2 ALA 31 69.460 -12.059 13.725 223 H ASP 32 HN ASP 32 68.999 -8.990 14.667 224 HA ASP 32 HA ASP 32 67.454 -9.710 17.024 225 1HB ASP 32 HB2 ASP 32 69.338 -7.413 16.425 226 2HB ASP 32 HB1 ASP 32 68.575 -7.656 17.998 227 H GLY 33 HN GLY 33 67.222 -7.269 14.504 228 1HA GLY 33 HA2 GLY 33 65.231 -6.085 13.926 229 2HA GLY 33 HA1 GLY 33 64.511 -6.602 15.451 230 H GLY 34 HN GLY 34 67.687 -5.089 15.172 231 1HA GLY 34 HA2 GLY 34 67.046 -3.138 17.196 232 2HA GLY 34 HA1 GLY 34 68.505 -3.142 16.203 233 H GLY 35 HN GLY 35 66.427 -3.277 13.842 234 1HA GLY 35 HA2 GLY 35 64.882 -1.585 12.916 235 2HA GLY 35 HA1 GLY 35 65.730 -0.371 13.873 236 H ASP 36 HN ASP 36 67.877 -2.624 12.540 237 HA ASP 36 HA ASP 36 68.214 -1.197 9.983 238 1HB ASP 36 HB2 ASP 36 70.486 -1.250 11.987 239 2HB ASP 36 HB1 ASP 36 70.455 -0.434 10.425 240 H ILE 37 HN ILE 37 69.175 -2.529 8.463 241 HA ILE 37 HA ILE 37 70.126 -5.173 9.475 242 HB ILE 37 HB ILE 37 68.423 -5.864 8.143 243 1HG1 ILE 37 HG12 ILE 37 70.690 -6.355 6.909 244 2HG1 ILE 37 HG11 ILE 37 69.166 -6.675 6.093 245 1HG2 ILE 37 HG22 ILE 37 67.586 -3.582 7.772 246 2HG2 ILE 37 HG21 ILE 37 68.747 -3.365 6.461 247 3HG2 ILE 37 HG23 ILE 37 67.448 -4.549 6.304 248 1HD1 ILE 37 HD11 ILE 37 69.309 -4.460 4.981 249 2HD1 ILE 37 HD13 ILE 37 70.869 -4.184 5.757 250 3HD1 ILE 37 HD12 ILE 37 70.686 -5.486 4.586 251 H SER 38 HN SER 38 71.925 -6.134 8.325 252 HA SER 38 HA SER 38 74.050 -4.240 7.827 253 1HB SER 38 HB2 SER 38 74.171 -7.115 6.951 254 2HB SER 38 HB1 SER 38 75.451 -6.106 7.621 255 HG SER 38 HG SER 38 73.955 -6.074 9.551 256 H THR 39 HN THR 39 74.862 -3.494 5.875 257 HA THR 39 HA THR 39 73.166 -3.525 3.568 258 HB THR 39 HB THR 39 75.233 -2.584 2.407 259 HG1 THR 39 HG1 THR 39 76.730 -3.648 3.785 260 1HG2 THR 39 HG23 THR 39 74.067 -1.435 4.934 261 2HG2 THR 39 HG22 THR 39 75.277 -0.543 4.009 262 3HG2 THR 39 HG21 THR 39 73.739 -0.979 3.262 263 H LYS 40 HN LYS 40 75.756 -5.625 4.629 264 HA LYS 40 HA LYS 40 76.387 -6.833 2.120 265 1HB LYS 40 HB2 LYS 40 77.279 -8.688 3.442 266 2HB LYS 40 HB1 LYS 40 77.715 -7.157 4.203 267 1HG LYS 40 HG2 LYS 40 76.522 -7.630 6.063 268 2HG LYS 40 HG1 LYS 40 75.126 -8.159 5.123 269 1HD LYS 40 HD2 LYS 40 77.304 -10.051 4.856 270 2HD LYS 40 HD1 LYS 40 76.910 -9.797 6.556 271 1HE LYS 40 HE2 LYS 40 74.417 -9.999 5.647 272 2HE LYS 40 HE1 LYS 40 75.210 -10.915 4.364 273 1HZ LYS 40 HZ3 LYS 40 76.347 -12.161 6.238 274 2HZ LYS 40 HZ2 LYS 40 75.188 -11.467 7.270 275 3HZ LYS 40 HZ1 LYS 40 74.698 -12.481 5.997 276 H ALA 41 HN ALA 41 73.631 -7.126 4.205 277 HA ALA 41 HA ALA 41 72.729 -9.666 3.055 278 1HB ALA 41 HB2 ALA 41 72.170 -8.934 5.399 279 2HB ALA 41 HB1 ALA 41 71.157 -7.667 4.708 280 3HB ALA 41 HB3 ALA 41 70.757 -9.362 4.436 281 H LEU 42 HN LEU 42 72.405 -6.278 2.366 282 HA LEU 42 HA LEU 42 69.977 -6.162 0.958 283 1HB LEU 42 HB2 LEU 42 72.555 -4.700 0.857 284 2HB LEU 42 HB1 LEU 42 71.551 -4.570 -0.584 285 HG LEU 42 HG LEU 42 69.905 -3.380 0.503 286 1HD1 LEU 42 HD11 LEU 42 70.552 -5.195 2.767 287 2HD1 LEU 42 HD13 LEU 42 69.919 -3.607 3.204 288 3HD1 LEU 42 HD12 LEU 42 68.981 -4.676 2.158 289 1HD2 LEU 42 HD23 LEU 42 72.554 -2.907 1.723 290 2HD2 LEU 42 HD22 LEU 42 71.468 -1.777 0.918 291 3HD2 LEU 42 HD21 LEU 42 71.188 -2.221 2.601 292 H GLY 43 HN GLY 43 73.121 -7.409 -0.129 293 1HA GLY 43 HA2 GLY 43 72.640 -7.728 -2.861 294 2HA GLY 43 HA1 GLY 43 73.556 -8.900 -1.907 295 H THR 44 HN THR 44 71.720 -9.967 -0.237 296 HA THR 44 HA THR 44 70.143 -11.643 -2.016 297 HB THR 44 HB THR 44 70.394 -11.474 0.995 298 HG1 THR 44 HG1 THR 44 72.130 -12.458 0.163 299 1HG2 THR 44 HG22 THR 44 68.481 -12.973 -0.728 300 2HG2 THR 44 HG21 THR 44 69.194 -13.840 0.631 301 3HG2 THR 44 HG23 THR 44 68.275 -12.362 0.914 302 H VAL 45 HN VAL 45 69.572 -8.748 -0.161 303 HA VAL 45 HA VAL 45 66.722 -9.019 0.129 304 HB VAL 45 HB VAL 45 68.425 -6.515 -0.073 305 1HG1 VAL 45 HG13 VAL 45 65.565 -6.931 0.116 306 2HG1 VAL 45 HG12 VAL 45 66.164 -6.121 1.565 307 3HG1 VAL 45 HG11 VAL 45 66.457 -5.417 -0.026 308 1HG2 VAL 45 HG23 VAL 45 68.823 -8.339 1.774 309 2HG2 VAL 45 HG22 VAL 45 68.708 -6.644 2.248 310 3HG2 VAL 45 HG21 VAL 45 67.322 -7.713 2.455 311 H MET 46 HN MET 46 68.781 -8.123 -2.536 312 HA MET 46 HA MET 46 66.810 -6.729 -4.101 313 1HB MET 46 HB2 MET 46 69.389 -8.150 -4.743 314 2HB MET 46 HB1 MET 46 68.362 -7.526 -6.034 315 1HG MET 46 HG2 MET 46 69.396 -5.875 -3.711 316 2HG MET 46 HG1 MET 46 70.102 -5.885 -5.328 317 1HE MET 46 HE1 MET 46 69.993 -3.500 -5.355 318 2HE MET 46 HE3 MET 46 68.563 -2.477 -5.547 319 3HE MET 46 HE2 MET 46 69.003 -3.092 -3.956 320 H ARG 47 HN ARG 47 68.003 -10.107 -4.331 321 HA ARG 47 HA ARG 47 66.141 -10.977 -6.278 322 1HB ARG 47 HB2 ARG 47 67.514 -12.464 -4.026 323 2HB ARG 47 HB1 ARG 47 66.522 -13.271 -5.241 324 1HG ARG 47 HG2 ARG 47 68.069 -12.975 -6.897 325 2HG ARG 47 HG1 ARG 47 68.570 -11.398 -6.288 326 1HD ARG 47 HD2 ARG 47 70.449 -12.631 -5.746 327 2HD ARG 47 HD1 ARG 47 69.506 -12.874 -4.275 328 HE ARG 47 HE ARG 47 68.744 -14.945 -5.995 329 1HH1 ARG 47 HH21 ARG 47 70.700 -14.523 -3.410 330 2HH1 ARG 47 HH22 ARG 47 71.886 -15.712 -3.837 331 1HH2 ARG 47 HH11 ARG 47 70.677 -16.149 -7.057 332 2HH2 ARG 47 HH12 ARG 47 71.873 -16.634 -5.900 333 H MET 48 HN MET 48 65.767 -10.459 -2.832 334 HA MET 48 HA MET 48 63.349 -11.961 -2.477 335 1HB MET 48 HB2 MET 48 64.881 -9.948 -0.971 336 2HB MET 48 HB1 MET 48 63.143 -9.890 -0.677 337 1HG MET 48 HG2 MET 48 63.476 -11.597 0.766 338 2HG MET 48 HG1 MET 48 63.693 -12.609 -0.662 339 1HE MET 48 HE3 MET 48 64.851 -13.413 2.031 340 2HE MET 48 HE2 MET 48 66.437 -12.806 2.497 341 3HE MET 48 HE1 MET 48 65.036 -11.743 2.584 342 H LEU 49 HN LEU 49 63.610 -8.390 -2.528 343 HA LEU 49 HA LEU 49 60.933 -7.794 -2.957 344 1HB LEU 49 HB2 LEU 49 63.074 -6.321 -4.490 345 2HB LEU 49 HB1 LEU 49 61.611 -5.673 -3.750 346 HG LEU 49 HG LEU 49 64.135 -6.613 -2.381 347 1HD1 LEU 49 HD12 LEU 49 62.908 -4.076 -3.044 348 2HD1 LEU 49 HD11 LEU 49 63.111 -4.225 -1.298 349 3HD1 LEU 49 HD13 LEU 49 64.506 -4.393 -2.365 350 1HD2 LEU 49 HD23 LEU 49 62.123 -7.589 -1.248 351 2HD2 LEU 49 HD22 LEU 49 62.970 -6.412 -0.245 352 3HD2 LEU 49 HD21 LEU 49 61.478 -5.957 -1.068 353 H GLY 50 HN GLY 50 63.359 -8.379 -5.530 354 1HA GLY 50 HA2 GLY 50 62.111 -10.039 -7.232 355 2HA GLY 50 HA1 GLY 50 61.174 -8.571 -7.514 356 H GLN 51 HN GLN 51 63.215 -6.649 -7.310 357 HA GLN 51 HA GLN 51 64.243 -6.481 -9.887 358 1HB GLN 51 HB2 GLN 51 64.786 -5.198 -7.331 359 2HB GLN 51 HB1 GLN 51 66.250 -5.339 -8.306 360 1HG GLN 51 HG2 GLN 51 64.004 -4.545 -9.955 361 2HG GLN 51 HG1 GLN 51 64.208 -3.428 -8.605 362 1HE2 GLN 51 HE22 GLN 51 67.735 -2.821 -9.659 363 2HE2 GLN 51 HE21 GLN 51 66.975 -3.397 -8.253 364 H ASN 52 HN ASN 52 66.587 -6.694 -10.579 365 HA ASN 52 HA ASN 52 68.111 -8.788 -9.156 366 1HB ASN 52 HB2 ASN 52 66.502 -9.303 -11.517 367 2HB ASN 52 HB1 ASN 52 68.210 -9.611 -11.840 368 1HD2 ASN 52 HD22 ASN 52 66.149 -12.096 -9.372 369 2HD2 ASN 52 HD21 ASN 52 65.405 -10.740 -10.071 370 HA PRO 53 HA PRO 53 70.589 -5.504 -11.309 371 1HB PRO 53 HB2 PRO 53 71.707 -4.463 -9.023 372 2HB PRO 53 HB1 PRO 53 70.189 -3.877 -9.727 373 1HG PRO 53 HG2 PRO 53 70.606 -5.563 -7.302 374 2HG PRO 53 HG1 PRO 53 69.272 -4.464 -7.688 375 1HD PRO 53 HD2 PRO 53 69.211 -7.286 -7.906 376 2HD PRO 53 HD1 PRO 53 68.019 -6.159 -8.589 377 H THR 54 HN THR 54 73.109 -5.147 -10.830 378 HA THR 54 HA THR 54 74.264 -7.859 -10.570 379 HB THR 54 HB THR 54 76.335 -6.776 -11.428 380 HG1 THR 54 HG1 THR 54 76.453 -4.670 -11.601 381 1HG2 THR 54 HG22 THR 54 73.749 -6.871 -12.797 382 2HG2 THR 54 HG21 THR 54 74.874 -5.732 -13.535 383 3HG2 THR 54 HG23 THR 54 75.331 -7.424 -13.346 384 H LYS 55 HN LYS 55 75.856 -8.372 -9.019 385 HA LYS 55 HA LYS 55 75.619 -7.254 -6.446 386 1HB LYS 55 HB2 LYS 55 77.246 -9.246 -7.728 387 2HB LYS 55 HB1 LYS 55 78.270 -8.250 -6.693 388 1HG LYS 55 HG2 LYS 55 76.838 -8.652 -4.782 389 2HG LYS 55 HG1 LYS 55 75.658 -9.491 -5.790 390 1HD LYS 55 HD2 LYS 55 76.846 -11.423 -5.772 391 2HD LYS 55 HD1 LYS 55 78.379 -10.583 -6.008 392 1HE LYS 55 HE2 LYS 55 78.144 -11.773 -3.777 393 2HE LYS 55 HE1 LYS 55 78.547 -10.060 -3.668 394 1HZ LYS 55 HZ3 LYS 55 75.734 -10.467 -3.781 395 2HZ LYS 55 HZ2 LYS 55 76.419 -11.322 -2.483 396 3HZ LYS 55 HZ1 LYS 55 76.654 -9.645 -2.618 397 H GLU 56 HN GLU 56 77.983 -6.509 -9.004 398 HA GLU 56 HA GLU 56 79.619 -4.722 -7.546 399 1HB GLU 56 HB2 GLU 56 80.039 -5.548 -9.891 400 2HB GLU 56 HB1 GLU 56 78.814 -4.407 -10.451 401 1HG GLU 56 HG2 GLU 56 80.342 -2.758 -10.449 402 2HG GLU 56 HG1 GLU 56 80.604 -3.001 -8.721 403 H GLU 57 HN GLU 57 76.734 -3.953 -9.530 404 HA GLU 57 HA GLU 57 76.687 -1.173 -8.908 405 1HB GLU 57 HB2 GLU 57 74.699 -3.163 -9.918 406 2HB GLU 57 HB1 GLU 57 74.088 -1.617 -9.329 407 1HG GLU 57 HG2 GLU 57 76.281 -0.892 -10.872 408 2HG GLU 57 HG1 GLU 57 75.556 -2.214 -11.787 409 H LEU 58 HN LEU 58 75.624 -3.975 -7.095 410 HA LEU 58 HA LEU 58 73.927 -2.533 -5.249 411 1HB LEU 58 HB2 LEU 58 74.007 -5.077 -5.694 412 2HB LEU 58 HB1 LEU 58 75.395 -5.091 -4.604 413 HG LEU 58 HG LEU 58 73.288 -3.526 -3.427 414 1HD1 LEU 58 HD11 LEU 58 72.535 -6.276 -4.441 415 2HD1 LEU 58 HD13 LEU 58 71.708 -5.500 -3.090 416 3HD1 LEU 58 HD12 LEU 58 71.671 -4.758 -4.690 417 1HD2 LEU 58 HD21 LEU 58 75.168 -5.644 -2.783 418 2HD2 LEU 58 HD23 LEU 58 74.441 -4.441 -1.717 419 3HD2 LEU 58 HD22 LEU 58 73.598 -5.956 -2.043 420 H ASP 59 HN ASP 59 77.354 -3.486 -5.220 421 HA ASP 59 HA ASP 59 77.950 -2.682 -2.560 422 1HB ASP 59 HB2 ASP 59 79.447 -3.320 -4.989 423 2HB ASP 59 HB1 ASP 59 80.235 -2.072 -4.023 424 H ALA 60 HN ALA 60 78.143 -0.817 -5.604 425 HA ALA 60 HA ALA 60 79.002 1.619 -4.354 426 1HB ALA 60 HB2 ALA 60 78.656 0.775 -6.950 427 2HB ALA 60 HB1 ALA 60 77.329 1.920 -6.757 428 3HB ALA 60 HB3 ALA 60 78.988 2.440 -6.472 429 H ILE 61 HN ILE 61 75.788 0.324 -5.137 430 HA ILE 61 HA ILE 61 74.263 2.626 -4.485 431 HB ILE 61 HB ILE 61 73.665 -0.333 -4.330 432 1HG1 ILE 61 HG12 ILE 61 72.724 1.919 -6.135 433 2HG1 ILE 61 HG11 ILE 61 73.892 0.669 -6.566 434 1HG2 ILE 61 HG21 ILE 61 72.134 1.955 -3.248 435 2HG2 ILE 61 HG23 ILE 61 71.211 0.866 -4.284 436 3HG2 ILE 61 HG22 ILE 61 72.027 0.239 -2.852 437 1HD1 ILE 61 HD12 ILE 61 71.027 0.127 -5.734 438 2HD1 ILE 61 HD11 ILE 61 71.594 0.164 -7.404 439 3HD1 ILE 61 HD13 ILE 61 72.198 -1.066 -6.295 440 H ILE 62 HN ILE 62 75.595 0.071 -2.419 441 HA ILE 62 HA ILE 62 74.266 0.834 -0.007 442 HB ILE 62 HB ILE 62 76.927 -0.525 -0.499 443 1HG1 ILE 62 HG12 ILE 62 74.405 -1.722 0.645 444 2HG1 ILE 62 HG11 ILE 62 74.615 -1.571 -1.101 445 1HG2 ILE 62 HG23 ILE 62 75.495 0.197 2.051 446 2HG2 ILE 62 HG22 ILE 62 76.506 -1.246 1.974 447 3HG2 ILE 62 HG21 ILE 62 77.211 0.340 1.666 448 1HD1 ILE 62 HD11 ILE 62 76.881 -2.738 0.447 449 2HD1 ILE 62 HD13 ILE 62 75.444 -3.740 0.240 450 3HD1 ILE 62 HD12 ILE 62 76.306 -3.132 -1.173 451 H GLU 63 HN GLU 63 77.457 1.788 -1.308 452 HA GLU 63 HA GLU 63 78.112 3.533 0.871 453 1HB GLU 63 HB2 GLU 63 79.544 2.597 -1.178 454 2HB GLU 63 HB1 GLU 63 79.092 4.149 -1.884 455 1HG GLU 63 HG2 GLU 63 80.509 5.276 -0.537 456 2HG GLU 63 HG1 GLU 63 79.933 4.424 0.895 457 H GLU 64 HN GLU 64 75.875 3.852 -1.713 458 HA GLU 64 HA GLU 64 75.893 6.810 -1.571 459 1HB GLU 64 HB2 GLU 64 74.974 4.809 -3.476 460 2HB GLU 64 HB1 GLU 64 73.719 6.001 -3.137 461 1HG GLU 64 HG2 GLU 64 75.167 7.822 -3.738 462 2HG GLU 64 HG1 GLU 64 76.572 6.757 -3.814 463 H VAL 65 HN VAL 65 74.346 4.169 -0.062 464 HA VAL 65 HA VAL 65 71.932 5.755 0.615 465 HB VAL 65 HB VAL 65 72.699 2.912 1.347 466 1HG1 VAL 65 HG13 VAL 65 70.721 4.666 2.410 467 2HG1 VAL 65 HG12 VAL 65 69.888 3.467 1.422 468 3HG1 VAL 65 HG11 VAL 65 70.935 2.946 2.741 469 1HG2 VAL 65 HG23 VAL 65 71.764 4.048 -1.092 470 2HG2 VAL 65 HG22 VAL 65 71.947 2.339 -0.698 471 3HG2 VAL 65 HG21 VAL 65 70.418 3.158 -0.379 472 H ASP 66 HN ASP 66 74.725 4.216 2.201 473 HA ASP 66 HA ASP 66 73.971 5.175 4.843 474 1HB ASP 66 HB2 ASP 66 76.442 3.902 3.672 475 2HB ASP 66 HB1 ASP 66 76.449 4.544 5.315 476 H GLU 67 HN GLU 67 73.699 7.461 4.525 477 HA GLU 67 HA GLU 67 75.740 9.138 3.387 478 1HB GLU 67 HB2 GLU 67 74.488 10.994 4.360 479 2HB GLU 67 HB1 GLU 67 73.356 9.828 3.677 480 1HG GLU 67 HG2 GLU 67 74.129 9.446 6.530 481 2HG GLU 67 HG1 GLU 67 73.066 10.803 6.162 482 H ASP 68 HN ASP 68 75.327 7.677 6.512 483 HA ASP 68 HA ASP 68 77.475 9.403 7.647 484 1HB ASP 68 HB2 ASP 68 76.830 8.254 9.811 485 2HB ASP 68 HB1 ASP 68 75.554 9.239 9.093 486 H GLY 69 HN GLY 69 77.260 6.622 5.917 487 1HA GLY 69 HA2 GLY 69 78.589 4.687 5.746 488 2HA GLY 69 HA1 GLY 69 79.887 5.766 6.256 489 H SER 70 HN SER 70 77.051 4.872 8.180 490 HA SER 70 HA SER 70 78.737 4.177 10.440 491 1HB SER 70 HB2 SER 70 76.555 3.501 11.488 492 2HB SER 70 HB1 SER 70 76.550 5.144 10.853 493 HG SER 70 HG SER 70 75.420 4.433 9.081 494 H GLY 71 HN GLY 71 77.131 2.396 7.875 495 1HA GLY 71 HA2 GLY 71 78.017 0.199 7.237 496 2HA GLY 71 HA1 GLY 71 78.403 -0.087 8.934 497 H THR 72 HN THR 72 75.406 1.431 8.637 498 HA THR 72 HA THR 72 73.924 -1.138 8.434 499 HB THR 72 HB THR 72 72.593 0.093 10.494 500 HG1 THR 72 HG1 THR 72 73.983 1.072 11.774 501 1HG2 THR 72 HG23 THR 72 74.294 -2.207 10.085 502 2HG2 THR 72 HG22 THR 72 74.514 -1.567 11.714 503 3HG2 THR 72 HG21 THR 72 72.906 -2.031 11.157 504 H ILE 73 HN ILE 73 71.838 -0.873 7.587 505 HA ILE 73 HA ILE 73 71.218 1.883 6.638 506 HB ILE 73 HB ILE 73 70.059 -0.763 5.719 507 1HG1 ILE 73 HG12 ILE 73 72.564 -0.380 5.321 508 2HG1 ILE 73 HG11 ILE 73 71.588 -0.683 3.883 509 1HG2 ILE 73 HG23 ILE 73 68.661 1.290 5.363 510 2HG2 ILE 73 HG22 ILE 73 69.990 1.982 4.434 511 3HG2 ILE 73 HG21 ILE 73 69.176 0.527 3.860 512 1HD1 ILE 73 HD13 ILE 73 71.708 2.155 4.617 513 2HD1 ILE 73 HD12 ILE 73 73.286 1.470 4.229 514 3HD1 ILE 73 HD11 ILE 73 71.976 1.387 3.052 515 H ASP 74 HN ASP 74 69.348 2.894 7.284 516 HA ASP 74 HA ASP 74 67.687 1.458 9.299 517 1HB ASP 74 HB2 ASP 74 68.833 3.946 9.418 518 2HB ASP 74 HB1 ASP 74 67.211 4.338 8.849 519 H PHE 75 HN PHE 75 65.313 1.792 9.167 520 HA PHE 75 HA PHE 75 64.131 1.047 6.793 521 1HB PHE 75 HB2 PHE 75 63.025 1.352 9.085 522 2HB PHE 75 HB1 PHE 75 62.804 3.045 8.635 523 HD1 PHE 75 HD2 PHE 75 62.644 -0.015 6.505 524 HD2 PHE 75 HD1 PHE 75 60.493 3.275 8.230 525 HE1 PHE 75 HE2 PHE 75 60.642 -0.629 5.174 526 HE2 PHE 75 HE1 PHE 75 58.488 2.663 6.901 527 HZ PHE 75 HZ PHE 75 58.563 0.711 5.372 528 H GLU 76 HN GLU 76 64.919 4.362 7.792 529 HA GLU 76 HA GLU 76 63.662 5.630 5.531 530 1HB GLU 76 HB2 GLU 76 66.026 6.664 7.120 531 2HB GLU 76 HB1 GLU 76 64.852 7.615 6.211 532 1HG GLU 76 HG2 GLU 76 63.264 6.110 7.918 533 2HG GLU 76 HG1 GLU 76 64.656 6.524 8.918 534 H GLU 77 HN GLU 77 67.058 4.711 6.185 535 HA GLU 77 HA GLU 77 68.129 5.601 3.710 536 1HB GLU 77 HB2 GLU 77 68.959 3.305 5.507 537 2HB GLU 77 HB1 GLU 77 69.915 3.873 4.138 538 1HG GLU 77 HG2 GLU 77 69.992 6.138 5.149 539 2HG GLU 77 HG1 GLU 77 69.090 5.533 6.538 540 H PHE 78 HN PHE 78 66.181 2.816 4.485 541 HA PHE 78 HA PHE 78 66.867 1.192 2.219 542 1HB PHE 78 HB2 PHE 78 65.224 0.915 4.426 543 2HB PHE 78 HB1 PHE 78 64.071 1.021 3.098 544 HD1 PHE 78 HD1 PHE 78 67.115 -0.781 4.278 545 HD2 PHE 78 HD2 PHE 78 63.766 -0.783 1.588 546 HE1 PHE 78 HE1 PHE 78 67.624 -3.123 3.643 547 HE2 PHE 78 HE2 PHE 78 64.277 -3.124 0.953 548 HZ PHE 78 HZ PHE 78 66.206 -4.296 1.982 549 H LEU 79 HN LEU 79 63.962 3.231 2.738 550 HA LEU 79 HA LEU 79 62.895 3.113 0.165 551 1HB LEU 79 HB2 LEU 79 63.047 5.622 1.863 552 2HB LEU 79 HB1 LEU 79 61.849 5.264 0.618 553 HG LEU 79 HG LEU 79 62.244 3.771 3.227 554 1HD1 LEU 79 HD13 LEU 79 61.031 5.995 3.259 555 2HD1 LEU 79 HD12 LEU 79 59.832 5.277 2.182 556 3HD1 LEU 79 HD11 LEU 79 60.066 4.622 3.803 557 1HD2 LEU 79 HD23 LEU 79 61.684 2.240 1.366 558 2HD2 LEU 79 HD22 LEU 79 60.329 2.398 2.484 559 3HD2 LEU 79 HD21 LEU 79 60.307 3.258 0.944 560 H VAL 80 HN VAL 80 65.731 4.857 1.270 561 HA VAL 80 HA VAL 80 66.013 6.565 -1.033 562 HB VAL 80 HB VAL 80 68.108 5.501 0.886 563 1HG1 VAL 80 HG12 VAL 80 68.163 7.566 -1.307 564 2HG1 VAL 80 HG11 VAL 80 69.245 7.701 0.080 565 3HG1 VAL 80 HG13 VAL 80 69.325 6.284 -0.966 566 1HG2 VAL 80 HG23 VAL 80 66.528 8.091 0.818 567 2HG2 VAL 80 HG22 VAL 80 66.353 6.800 2.006 568 3HG2 VAL 80 HG21 VAL 80 67.843 7.741 1.939 569 H MET 81 HN MET 81 67.372 3.371 -0.204 570 HA MET 81 HA MET 81 69.004 3.039 -2.485 571 1HB MET 81 HB2 MET 81 68.494 1.499 -0.343 572 2HB MET 81 HB1 MET 81 67.483 0.665 -1.524 573 1HG MET 81 HG2 MET 81 69.325 0.228 -2.957 574 2HG MET 81 HG1 MET 81 70.351 1.395 -2.120 575 1HE MET 81 HE2 MET 81 70.233 1.412 0.330 576 2HE MET 81 HE1 MET 81 69.550 0.112 1.301 577 3HE MET 81 HE3 MET 81 71.296 0.201 1.039 578 H MET 82 HN MET 82 65.541 2.304 -2.051 579 HA MET 82 HA MET 82 65.124 1.154 -4.628 580 1HB MET 82 HB2 MET 82 63.176 2.745 -2.929 581 2HB MET 82 HB1 MET 82 62.744 1.673 -4.260 582 1HG MET 82 HG2 MET 82 64.443 0.573 -2.058 583 2HG MET 82 HG1 MET 82 62.722 0.804 -1.747 584 1HE MET 82 HE2 MET 82 65.478 -0.669 -3.249 585 2HE MET 82 HE1 MET 82 64.954 -2.350 -3.207 586 3HE MET 82 HE3 MET 82 65.008 -1.475 -4.743 587 H VAL 83 HN VAL 83 64.320 4.482 -3.551 588 HA VAL 83 HA VAL 83 63.805 5.460 -6.184 589 HB VAL 83 HB VAL 83 64.854 7.121 -3.882 590 1HG1 VAL 83 HG13 VAL 83 63.988 7.724 -6.495 591 2HG1 VAL 83 HG12 VAL 83 62.657 8.193 -5.436 592 3HG1 VAL 83 HG11 VAL 83 64.268 8.866 -5.181 593 1HG2 VAL 83 HG22 VAL 83 62.661 5.388 -3.772 594 2HG2 VAL 83 HG21 VAL 83 62.957 6.759 -2.703 595 3HG2 VAL 83 HG23 VAL 83 61.952 6.959 -4.138 596 H ARG 84 HN ARG 84 66.731 4.587 -4.683 597 HA ARG 84 HA ARG 84 68.530 6.474 -5.855 598 1HB ARG 84 HB2 ARG 84 68.760 4.294 -4.162 599 2HB ARG 84 HB1 ARG 84 69.586 3.751 -5.623 600 1HG ARG 84 HG2 ARG 84 71.345 4.866 -4.664 601 2HG ARG 84 HG1 ARG 84 70.587 6.243 -5.465 602 1HD ARG 84 HD2 ARG 84 69.320 5.767 -2.914 603 2HD ARG 84 HD1 ARG 84 71.063 5.934 -2.700 604 HE ARG 84 HE ARG 84 69.232 8.055 -3.477 605 1HH1 ARG 84 HH11 ARG 84 72.277 7.464 -2.361 606 2HH1 ARG 84 HH12 ARG 84 73.073 8.705 -3.270 607 1HH2 ARG 84 HH21 ARG 84 70.317 9.382 -5.262 608 2HH2 ARG 84 HH22 ARG 84 71.964 9.790 -4.914 609 H GLN 85 HN GLN 85 67.496 3.231 -6.963 610 HA GLN 85 HA GLN 85 68.894 3.579 -9.513 611 1HB GLN 85 HB2 GLN 85 67.377 1.429 -8.151 612 2HB GLN 85 HB1 GLN 85 67.272 1.431 -9.911 613 1HG GLN 85 HG2 GLN 85 69.829 1.442 -8.281 614 2HG GLN 85 HG1 GLN 85 69.185 0.075 -9.190 615 1HE2 GLN 85 HE21 GLN 85 69.021 0.382 -11.615 616 2HE2 GLN 85 HE22 GLN 85 70.114 1.430 -12.380 617 H MET 86 HN MET 86 65.590 3.871 -8.303 618 HA MET 86 HA MET 86 64.071 3.893 -10.621 619 1HB MET 86 HB2 MET 86 63.931 5.295 -8.031 620 2HB MET 86 HB1 MET 86 63.072 6.108 -9.339 621 1HG MET 86 HG2 MET 86 62.353 3.485 -9.737 622 2HG MET 86 HG1 MET 86 62.448 3.572 -7.979 623 1HE MET 86 HE1 MET 86 60.698 3.334 -7.142 624 2HE MET 86 HE3 MET 86 59.911 4.825 -6.606 625 3HE MET 86 HE2 MET 86 59.076 3.730 -7.706 626 H LYS 87 HN LYS 87 64.879 7.099 -9.351 627 HA LYS 87 HA LYS 87 66.080 7.818 -11.975 628 1HB LYS 87 HB2 LYS 87 64.675 9.958 -11.882 629 2HB LYS 87 HB1 LYS 87 63.815 8.481 -12.314 630 1HG LYS 87 HG2 LYS 87 62.741 8.339 -10.255 631 2HG LYS 87 HG1 LYS 87 63.993 9.266 -9.425 632 1HD LYS 87 HD2 LYS 87 62.326 10.571 -11.561 633 2HD LYS 87 HD1 LYS 87 61.692 10.411 -9.923 634 1HE LYS 87 HE2 LYS 87 63.584 11.624 -9.010 635 2HE LYS 87 HE1 LYS 87 64.370 11.663 -10.590 636 1HZ LYS 87 HZ2 LYS 87 61.674 12.719 -10.511 637 2HZ LYS 87 HZ1 LYS 87 62.827 13.621 -9.651 638 3HZ LYS 87 HZ3 LYS 87 63.054 13.314 -11.302 639 H GLU 88 HN GLU 88 68.104 8.172 -11.026 640 HA GLU 88 HA GLU 88 68.454 10.695 -9.642 641 1HB GLU 88 HB2 GLU 88 67.956 8.422 -8.017 642 2HB GLU 88 HB1 GLU 88 69.674 8.784 -7.868 643 1HG GLU 88 HG2 GLU 88 69.166 10.487 -6.490 644 2HG GLU 88 HG1 GLU 88 68.311 11.272 -7.817 645 H ASP 89 HN ASP 89 69.570 10.069 -11.968 646 HA ASP 89 HA ASP 89 72.431 9.727 -11.276 647 1HB ASP 89 HB2 ASP 89 72.585 8.230 -13.406 648 2HB ASP 89 HB1 ASP 89 72.027 7.496 -11.902 649 H ALA 90 HN ALA 90 70.301 11.717 -12.470 650 HA ALA 90 HA ALA 90 72.075 12.608 -14.705 651 1HB ALA 90 HB2 ALA 90 69.595 11.658 -15.158 652 2HB ALA 90 HB1 ALA 90 69.190 13.336 -14.796 653 3HB ALA 90 HB3 ALA 90 70.299 12.961 -16.116 No H/Q in entry = 653 Start of MODEL 33 1 1H ALA 1 HT1 ALA 1 67.347 10.733 11.951 2 2H ALA 1 HT3 ALA 1 66.681 9.731 13.146 3 3H ALA 1 HT2 ALA 1 66.127 9.625 11.544 4 HA ALA 1 HA ALA 1 64.462 10.859 12.499 5 1HB ALA 1 HB3 ALA 1 66.464 11.318 14.460 6 2HB ALA 1 HB2 ALA 1 65.893 12.902 13.931 7 3HB ALA 1 HB1 ALA 1 64.747 11.717 14.559 8 H SER 2 HN SER 2 67.409 12.877 12.152 9 HA SER 2 HA SER 2 66.290 15.088 10.902 10 1HB SER 2 HB2 SER 2 68.438 15.675 10.367 11 2HB SER 2 HB1 SER 2 68.835 14.314 11.413 12 HG SER 2 HG SER 2 69.831 13.697 9.637 13 H MET 3 HN MET 3 66.218 15.678 8.564 14 HA MET 3 HA MET 3 65.606 13.296 6.857 15 1HB MET 3 HB2 MET 3 64.005 14.965 5.682 16 2HB MET 3 HB1 MET 3 63.502 14.301 7.237 17 1HG MET 3 HG2 MET 3 65.137 16.761 7.397 18 2HG MET 3 HG1 MET 3 63.544 16.969 6.670 19 1HE MET 3 HE1 MET 3 65.250 17.784 9.085 20 2HE MET 3 HE3 MET 3 63.839 18.425 9.937 21 3HE MET 3 HE2 MET 3 64.817 17.159 10.674 22 H THR 4 HN THR 4 67.267 13.162 5.416 23 HA THR 4 HA THR 4 68.581 15.639 4.466 24 HB THR 4 HB THR 4 70.327 14.263 3.708 25 HG1 THR 4 HG1 THR 4 68.411 12.176 3.706 26 1HG2 THR 4 HG22 THR 4 70.098 14.149 6.162 27 2HG2 THR 4 HG21 THR 4 69.060 12.734 5.997 28 3HG2 THR 4 HG23 THR 4 70.754 12.647 5.515 29 H ASP 5 HN ASP 5 69.065 15.672 2.013 30 HA ASP 5 HA ASP 5 66.575 15.726 0.591 31 1HB ASP 5 HB2 ASP 5 69.321 15.633 -0.676 32 2HB ASP 5 HB1 ASP 5 67.860 16.387 -1.315 33 H GLN 6 HN GLN 6 69.171 13.339 0.803 34 HA GLN 6 HA GLN 6 68.445 11.672 -1.362 35 1HB GLN 6 HB2 GLN 6 70.171 11.515 0.898 36 2HB GLN 6 HB1 GLN 6 69.195 10.045 0.880 37 1HG GLN 6 HG2 GLN 6 69.782 10.154 -1.732 38 2HG GLN 6 HG1 GLN 6 71.187 11.023 -1.114 39 1HE2 GLN 6 HE22 GLN 6 71.936 8.020 1.044 40 2HE2 GLN 6 HE21 GLN 6 71.477 9.617 1.390 41 H GLN 7 HN GLN 7 67.348 11.494 2.043 42 HA GLN 7 HA GLN 7 65.361 9.457 1.401 43 1HB GLN 7 HB2 GLN 7 66.118 11.029 3.843 44 2HB GLN 7 HB1 GLN 7 64.563 10.197 3.807 45 1HG GLN 7 HG2 GLN 7 65.549 8.080 3.627 46 2HG GLN 7 HG1 GLN 7 67.065 8.733 3.007 47 1HE2 GLN 7 HE22 GLN 7 68.114 8.085 6.382 48 2HE2 GLN 7 HE21 GLN 7 68.065 7.407 4.828 49 H ALA 8 HN ALA 8 65.509 12.848 1.112 50 HA ALA 8 HA ALA 8 62.732 13.469 1.614 51 1HB ALA 8 HB2 ALA 8 64.951 14.982 1.218 52 2HB ALA 8 HB1 ALA 8 64.212 15.094 -0.380 53 3HB ALA 8 HB3 ALA 8 63.312 15.609 1.046 54 H GLU 9 HN GLU 9 64.562 13.000 -1.432 55 HA GLU 9 HA GLU 9 62.175 13.054 -3.067 56 1HB GLU 9 HB2 GLU 9 65.052 12.306 -3.508 57 2HB GLU 9 HB1 GLU 9 63.850 11.892 -4.730 58 1HG GLU 9 HG2 GLU 9 63.122 14.432 -4.337 59 2HG GLU 9 HG1 GLU 9 64.811 14.579 -3.853 60 H ALA 10 HN ALA 10 63.792 10.602 -1.216 61 HA ALA 10 HA ALA 10 62.768 8.310 -2.636 62 1HB ALA 10 HB1 ALA 10 64.100 8.827 -0.034 63 2HB ALA 10 HB3 ALA 10 63.106 7.373 -0.115 64 3HB ALA 10 HB2 ALA 10 64.440 7.594 -1.248 65 H ARG 11 HN ARG 11 61.728 9.806 0.452 66 HA ARG 11 HA ARG 11 59.318 8.250 0.632 67 1HB ARG 11 HB2 ARG 11 60.638 10.309 2.153 68 2HB ARG 11 HB1 ARG 11 58.929 10.709 1.985 69 1HG ARG 11 HG2 ARG 11 58.248 8.624 2.935 70 2HG ARG 11 HG1 ARG 11 59.881 7.962 2.819 71 1HD ARG 11 HD2 ARG 11 60.519 9.998 4.346 72 2HD ARG 11 HD1 ARG 11 58.801 10.007 4.740 73 HE ARG 11 HE ARG 11 59.668 7.345 5.039 74 1HH1 ARG 11 HH11 ARG 11 60.747 10.398 6.188 75 2HH1 ARG 11 HH12 ARG 11 61.013 9.849 7.810 76 1HH2 ARG 11 HH21 ARG 11 59.829 6.646 7.205 77 2HH2 ARG 11 HH22 ARG 11 60.494 7.727 8.384 78 H ALA 12 HN ALA 12 60.129 11.225 -1.024 79 HA ALA 12 HA ALA 12 57.413 12.140 -1.405 80 1HB ALA 12 HB1 ALA 12 60.013 12.732 -2.832 81 2HB ALA 12 HB3 ALA 12 58.486 13.479 -3.300 82 3HB ALA 12 HB2 ALA 12 59.147 13.757 -1.688 83 H PHE 13 HN PHE 13 59.552 9.973 -3.203 84 HA PHE 13 HA PHE 13 57.613 9.757 -5.413 85 1HB PHE 13 HB2 PHE 13 60.010 9.688 -5.937 86 2HB PHE 13 HB1 PHE 13 60.215 8.289 -4.884 87 HD1 PHE 13 HD2 PHE 13 59.258 6.098 -5.489 88 HD2 PHE 13 HD1 PHE 13 58.945 9.489 -8.108 89 HE1 PHE 13 HE2 PHE 13 58.620 4.596 -7.357 90 HE2 PHE 13 HE1 PHE 13 58.307 7.987 -9.975 91 HZ PHE 13 HZ PHE 13 58.146 5.540 -9.601 92 H LEU 14 HN LEU 14 58.446 8.073 -2.480 93 HA LEU 14 HA LEU 14 56.974 5.647 -3.298 94 1HB LEU 14 HB2 LEU 14 58.168 6.323 -0.596 95 2HB LEU 14 HB1 LEU 14 57.678 4.730 -1.171 96 HG LEU 14 HG LEU 14 59.732 6.342 -2.672 97 1HD1 LEU 14 HD11 LEU 14 60.181 5.829 -0.084 98 2HD1 LEU 14 HD13 LEU 14 60.598 4.242 -0.733 99 3HD1 LEU 14 HD12 LEU 14 61.457 5.677 -1.292 100 1HD2 LEU 14 HD23 LEU 14 58.816 3.480 -2.520 101 2HD2 LEU 14 HD22 LEU 14 59.066 4.493 -3.943 102 3HD2 LEU 14 HD21 LEU 14 60.453 3.845 -3.068 103 H SER 15 HN SER 15 54.993 5.011 -2.367 104 HA SER 15 HA SER 15 53.450 7.239 -1.146 105 1HB SER 15 HB2 SER 15 52.797 4.879 -2.808 106 2HB SER 15 HB1 SER 15 51.632 5.245 -1.540 107 HG SER 15 HG SER 15 51.007 6.882 -2.685 108 H GLU 16 HN GLU 16 51.794 6.448 0.566 109 HA GLU 16 HA GLU 16 53.205 5.410 2.809 110 1HB GLU 16 HB2 GLU 16 50.218 5.525 2.295 111 2HB GLU 16 HB1 GLU 16 50.961 5.219 3.865 112 1HG GLU 16 HG2 GLU 16 51.995 7.397 3.883 113 2HG GLU 16 HG1 GLU 16 51.515 7.695 2.213 114 H GLU 17 HN GLU 17 50.825 3.823 0.662 115 HA GLU 17 HA GLU 17 51.032 1.260 1.965 116 1HB GLU 17 HB2 GLU 17 49.899 0.404 -0.079 117 2HB GLU 17 HB1 GLU 17 49.095 1.829 0.578 118 1HG GLU 17 HG2 GLU 17 49.970 3.244 -1.103 119 2HG GLU 17 HG1 GLU 17 51.207 2.072 -1.562 120 H MET 18 HN MET 18 52.816 2.805 -0.657 121 HA MET 18 HA MET 18 54.139 0.401 -1.561 122 1HB MET 18 HB2 MET 18 54.066 3.122 -2.326 123 2HB MET 18 HB1 MET 18 55.754 2.757 -1.967 124 1HG MET 18 HG2 MET 18 55.301 0.583 -3.363 125 2HG MET 18 HG1 MET 18 53.946 1.505 -4.014 126 1HE MET 18 HE2 MET 18 56.681 0.153 -4.671 127 2HE MET 18 HE1 MET 18 57.200 0.981 -6.138 128 3HE MET 18 HE3 MET 18 58.089 1.210 -4.626 129 H ILE 19 HN ILE 19 54.774 2.727 0.998 130 HA ILE 19 HA ILE 19 57.468 1.655 1.488 131 HB ILE 19 HB ILE 19 55.753 3.706 2.907 132 1HG1 ILE 19 HG12 ILE 19 58.436 4.426 1.987 133 2HG1 ILE 19 HG11 ILE 19 57.410 3.849 0.672 134 1HG2 ILE 19 HG22 ILE 19 57.998 2.151 3.912 135 2HG2 ILE 19 HG21 ILE 19 58.376 3.872 3.878 136 3HG2 ILE 19 HG23 ILE 19 56.965 3.296 4.766 137 1HD1 ILE 19 HD13 ILE 19 55.967 5.634 2.472 138 2HD1 ILE 19 HD12 ILE 19 57.384 6.415 1.769 139 3HD1 ILE 19 HD11 ILE 19 56.148 5.720 0.720 140 H ALA 20 HN ALA 20 54.208 1.146 2.626 141 HA ALA 20 HA ALA 20 54.891 -0.144 5.116 142 1HB ALA 20 HB2 ALA 20 52.452 -0.159 3.341 143 2HB ALA 20 HB1 ALA 20 52.550 -1.211 4.752 144 3HB ALA 20 HB3 ALA 20 52.635 0.539 4.948 145 H GLU 21 HN GLU 21 54.269 -1.325 1.825 146 HA GLU 21 HA GLU 21 54.512 -4.106 2.399 147 1HB GLU 21 HB2 GLU 21 53.687 -3.800 0.268 148 2HB GLU 21 HB1 GLU 21 54.679 -2.374 -0.024 149 1HG GLU 21 HG2 GLU 21 56.629 -3.725 -0.444 150 2HG GLU 21 HG1 GLU 21 55.797 -5.186 0.087 151 H PHE 22 HN PHE 22 56.943 -1.657 1.508 152 HA PHE 22 HA PHE 22 59.173 -3.443 1.374 153 1HB PHE 22 HB2 PHE 22 59.014 -0.496 2.070 154 2HB PHE 22 HB1 PHE 22 60.531 -1.362 1.819 155 HD1 PHE 22 HD1 PHE 22 59.844 -3.188 -0.390 156 HD2 PHE 22 HD2 PHE 22 58.807 0.936 0.209 157 HE1 PHE 22 HE1 PHE 22 59.610 -2.892 -2.840 158 HE2 PHE 22 HE2 PHE 22 58.571 1.234 -2.241 159 HZ PHE 22 HZ PHE 22 58.973 -0.680 -3.767 160 H LYS 23 HN LYS 23 57.760 -1.618 4.084 161 HA LYS 23 HA LYS 23 59.724 -2.182 6.039 162 1HB LYS 23 HB2 LYS 23 57.335 -0.866 6.049 163 2HB LYS 23 HB1 LYS 23 56.915 -2.317 6.962 164 1HG LYS 23 HG2 LYS 23 59.466 -0.883 7.619 165 2HG LYS 23 HG1 LYS 23 57.940 -0.219 8.201 166 1HD LYS 23 HD2 LYS 23 57.395 -2.449 9.190 167 2HD LYS 23 HD1 LYS 23 58.994 -3.016 8.706 168 1HE LYS 23 HE2 LYS 23 59.878 -0.946 10.007 169 2HE LYS 23 HE1 LYS 23 58.279 -0.924 10.754 170 1HZ LYS 23 HZ2 LYS 23 59.936 -3.373 10.652 171 2HZ LYS 23 HZ1 LYS 23 60.064 -2.252 11.922 172 3HZ LYS 23 HZ3 LYS 23 58.594 -3.050 11.642 173 H ALA 24 HN ALA 24 57.147 -4.200 4.743 174 HA ALA 24 HA ALA 24 57.175 -6.241 6.731 175 1HB ALA 24 HB3 ALA 24 55.662 -5.848 4.572 176 2HB ALA 24 HB2 ALA 24 56.813 -6.976 3.855 177 3HB ALA 24 HB1 ALA 24 55.866 -7.459 5.262 178 H ALA 25 HN ALA 25 59.044 -5.938 3.697 179 HA ALA 25 HA ALA 25 60.568 -8.357 4.223 180 1HB ALA 25 HB1 ALA 25 60.540 -6.219 2.163 181 2HB ALA 25 HB3 ALA 25 62.084 -7.035 2.408 182 3HB ALA 25 HB2 ALA 25 60.653 -7.968 1.968 183 H PHE 26 HN PHE 26 60.750 -5.114 5.321 184 HA PHE 26 HA PHE 26 63.544 -4.787 5.690 185 1HB PHE 26 HB2 PHE 26 61.730 -3.049 6.073 186 2HB PHE 26 HB1 PHE 26 61.401 -3.846 7.612 187 HD1 PHE 26 HD1 PHE 26 64.425 -2.768 5.667 188 HD2 PHE 26 HD2 PHE 26 62.422 -2.885 9.461 189 HE1 PHE 26 HE1 PHE 26 66.320 -1.547 6.703 190 HE2 PHE 26 HE2 PHE 26 64.315 -1.664 10.500 191 HZ PHE 26 HZ PHE 26 66.265 -0.994 9.121 192 H ASP 27 HN ASP 27 61.268 -5.600 8.325 193 HA ASP 27 HA ASP 27 63.228 -6.599 10.095 194 1HB ASP 27 HB2 ASP 27 61.335 -7.778 11.214 195 2HB ASP 27 HB1 ASP 27 60.955 -6.097 10.840 196 H MET 28 HN MET 28 61.976 -8.006 7.216 197 HA MET 28 HA MET 28 62.263 -10.777 7.839 198 1HB MET 28 HB2 MET 28 61.933 -9.143 5.435 199 2HB MET 28 HB1 MET 28 62.941 -10.564 5.155 200 1HG MET 28 HG2 MET 28 60.903 -11.591 6.699 201 2HG MET 28 HG1 MET 28 60.060 -10.393 5.716 202 1HE MET 28 HE3 MET 28 61.217 -9.930 3.452 203 2HE MET 28 HE2 MET 28 62.609 -10.933 3.051 204 3HE MET 28 HE1 MET 28 61.094 -11.154 2.181 205 H PHE 29 HN PHE 29 64.583 -8.493 6.345 206 HA PHE 29 HA PHE 29 66.715 -10.496 6.417 207 1HB PHE 29 HB2 PHE 29 67.291 -7.580 6.070 208 2HB PHE 29 HB1 PHE 29 67.991 -8.966 5.235 209 HD1 PHE 29 HD1 PHE 29 66.035 -10.441 3.982 210 HD2 PHE 29 HD2 PHE 29 65.960 -6.215 4.745 211 HE1 PHE 29 HE1 PHE 29 64.425 -10.135 2.120 212 HE2 PHE 29 HE2 PHE 29 64.350 -5.908 2.880 213 HZ PHE 29 HZ PHE 29 63.583 -7.868 1.568 214 H ASP 30 HN ASP 30 65.296 -8.579 8.753 215 HA ASP 30 HA ASP 30 67.786 -8.001 10.231 216 1HB ASP 30 HB2 ASP 30 64.932 -7.239 10.448 217 2HB ASP 30 HB1 ASP 30 65.787 -7.414 11.980 218 H ALA 31 HN ALA 31 68.458 -10.240 10.531 219 HA ALA 31 HA ALA 31 66.739 -12.099 11.968 220 1HB ALA 31 HB3 ALA 31 69.690 -12.117 11.288 221 2HB ALA 31 HB2 ALA 31 68.899 -13.425 12.166 222 3HB ALA 31 HB1 ALA 31 68.405 -13.044 10.516 223 H ASP 32 HN ASP 32 69.240 -9.773 12.827 224 HA ASP 32 HA ASP 32 69.459 -10.715 15.582 225 1HB ASP 32 HB2 ASP 32 70.382 -8.163 14.227 226 2HB ASP 32 HB1 ASP 32 70.756 -8.590 15.898 227 H GLY 33 HN GLY 33 67.491 -8.413 13.829 228 1HA GLY 33 HA2 GLY 33 65.478 -7.410 14.581 229 2HA GLY 33 HA1 GLY 33 65.780 -8.080 16.184 230 H GLY 34 HN GLY 34 67.973 -6.054 14.258 231 1HA GLY 34 HA2 GLY 34 68.069 -4.163 16.549 232 2HA GLY 34 HA1 GLY 34 69.274 -4.273 15.266 233 H GLY 35 HN GLY 35 66.269 -4.462 13.842 234 1HA GLY 35 HA2 GLY 35 64.876 -2.886 12.775 235 2HA GLY 35 HA1 GLY 35 65.585 -1.637 13.800 236 H ASP 36 HN ASP 36 67.785 -3.645 12.059 237 HA ASP 36 HA ASP 36 67.918 -1.991 9.670 238 1HB ASP 36 HB2 ASP 36 70.395 -1.351 10.330 239 2HB ASP 36 HB1 ASP 36 69.051 -0.348 10.872 240 H ILE 37 HN ILE 37 68.973 -3.141 8.069 241 HA ILE 37 HA ILE 37 70.318 -5.657 8.947 242 HB ILE 37 HB ILE 37 69.615 -6.681 6.952 243 1HG1 ILE 37 HG12 ILE 37 68.977 -3.953 5.791 244 2HG1 ILE 37 HG11 ILE 37 70.470 -4.836 5.468 245 1HG2 ILE 37 HG23 ILE 37 67.662 -5.035 8.330 246 2HG2 ILE 37 HG22 ILE 37 67.214 -5.265 6.639 247 3HG2 ILE 37 HG21 ILE 37 67.487 -6.664 7.680 248 1HD1 ILE 37 HD12 ILE 37 67.792 -6.132 5.013 249 2HD1 ILE 37 HD11 ILE 37 68.509 -5.092 3.785 250 3HD1 ILE 37 HD13 ILE 37 69.352 -6.549 4.308 251 H SER 38 HN SER 38 72.485 -5.892 8.516 252 HA SER 38 HA SER 38 74.130 -3.762 7.730 253 1HB SER 38 HB2 SER 38 74.748 -6.655 7.086 254 2HB SER 38 HB1 SER 38 75.891 -5.363 7.433 255 HG SER 38 HG SER 38 75.537 -6.705 9.251 256 H THR 39 HN THR 39 75.249 -3.382 5.638 257 HA THR 39 HA THR 39 73.383 -3.577 3.426 258 HB THR 39 HB THR 39 74.899 -2.279 2.189 259 HG1 THR 39 HG1 THR 39 76.703 -3.635 2.476 260 1HG2 THR 39 HG21 THR 39 74.687 -1.694 5.063 261 2HG2 THR 39 HG23 THR 39 76.031 -0.881 4.266 262 3HG2 THR 39 HG22 THR 39 74.386 -0.652 3.675 263 H LYS 40 HN LYS 40 75.409 -5.837 4.754 264 HA LYS 40 HA LYS 40 76.449 -7.044 2.321 265 1HB LYS 40 HB2 LYS 40 76.745 -9.065 3.886 266 2HB LYS 40 HB1 LYS 40 77.626 -7.599 4.317 267 1HG LYS 40 HG2 LYS 40 76.519 -7.432 6.270 268 2HG LYS 40 HG1 LYS 40 74.961 -7.553 5.454 269 1HD LYS 40 HD2 LYS 40 75.898 -10.135 5.278 270 2HD LYS 40 HD1 LYS 40 76.508 -9.628 6.854 271 1HE LYS 40 HE2 LYS 40 73.821 -8.681 6.588 272 2HE LYS 40 HE1 LYS 40 73.848 -10.393 6.168 273 1HZ LYS 40 HZ2 LYS 40 75.059 -9.239 8.620 274 2HZ LYS 40 HZ1 LYS 40 73.538 -9.993 8.559 275 3HZ LYS 40 HZ3 LYS 40 74.941 -10.887 8.227 276 H ALA 41 HN ALA 41 73.532 -7.370 4.271 277 HA ALA 41 HA ALA 41 72.581 -9.638 2.635 278 1HB ALA 41 HB3 ALA 41 72.167 -9.135 5.223 279 2HB ALA 41 HB2 ALA 41 70.810 -8.211 4.577 280 3HB ALA 41 HB1 ALA 41 70.942 -9.937 4.240 281 H LEU 42 HN LEU 42 72.518 -6.234 2.565 282 HA LEU 42 HA LEU 42 69.977 -5.630 1.510 283 1HB LEU 42 HB2 LEU 42 72.663 -4.415 1.426 284 2HB LEU 42 HB1 LEU 42 71.653 -4.005 0.043 285 HG LEU 42 HG LEU 42 71.240 -2.340 1.728 286 1HD1 LEU 42 HD11 LEU 42 69.226 -4.078 0.778 287 2HD1 LEU 42 HD13 LEU 42 68.842 -3.755 2.469 288 3HD1 LEU 42 HD12 LEU 42 69.034 -2.417 1.334 289 1HD2 LEU 42 HD22 LEU 42 71.537 -4.631 3.506 290 2HD2 LEU 42 HD21 LEU 42 71.707 -2.911 3.858 291 3HD2 LEU 42 HD23 LEU 42 70.115 -3.666 3.903 292 H GLY 43 HN GLY 43 72.628 -7.372 0.088 293 1HA GLY 43 HA2 GLY 43 71.800 -7.055 -2.673 294 2HA GLY 43 HA1 GLY 43 72.924 -8.274 -2.068 295 H THR 44 HN THR 44 71.153 -9.449 -0.134 296 HA THR 44 HA THR 44 69.738 -11.293 -1.837 297 HB THR 44 HB THR 44 69.544 -10.830 1.156 298 HG1 THR 44 HG1 THR 44 71.592 -11.479 0.412 299 1HG2 THR 44 HG21 THR 44 67.746 -12.201 -0.381 300 2HG2 THR 44 HG23 THR 44 68.908 -13.471 0.007 301 3HG2 THR 44 HG22 THR 44 68.108 -12.584 1.304 302 H VAL 45 HN VAL 45 68.747 -8.523 0.138 303 HA VAL 45 HA VAL 45 65.948 -8.808 -0.027 304 HB VAL 45 HB VAL 45 67.562 -6.243 -0.155 305 1HG1 VAL 45 HG12 VAL 45 64.661 -6.881 0.238 306 2HG1 VAL 45 HG11 VAL 45 65.354 -5.517 1.117 307 3HG1 VAL 45 HG13 VAL 45 65.403 -5.547 -0.647 308 1HG2 VAL 45 HG22 VAL 45 66.618 -8.003 2.108 309 2HG2 VAL 45 HG21 VAL 45 68.235 -7.365 1.819 310 3HG2 VAL 45 HG23 VAL 45 66.946 -6.289 2.359 311 H MET 46 HN MET 46 68.131 -7.097 -2.292 312 HA MET 46 HA MET 46 66.217 -6.239 -4.156 313 1HB MET 46 HB2 MET 46 68.988 -7.321 -4.760 314 2HB MET 46 HB1 MET 46 68.028 -6.291 -5.822 315 1HG MET 46 HG2 MET 46 68.512 -5.339 -3.031 316 2HG MET 46 HG1 MET 46 69.854 -5.259 -4.171 317 1HE MET 46 HE1 MET 46 70.218 -3.702 -5.856 318 2HE MET 46 HE3 MET 46 69.404 -2.131 -5.876 319 3HE MET 46 HE2 MET 46 70.149 -2.722 -4.394 320 H ARG 47 HN ARG 47 67.536 -9.462 -3.649 321 HA ARG 47 HA ARG 47 66.537 -10.600 -6.105 322 1HB ARG 47 HB2 ARG 47 68.289 -11.736 -4.848 323 2HB ARG 47 HB1 ARG 47 67.228 -11.884 -3.445 324 1HG ARG 47 HG2 ARG 47 65.638 -13.206 -4.909 325 2HG ARG 47 HG1 ARG 47 66.899 -13.218 -6.143 326 1HD ARG 47 HD2 ARG 47 67.550 -14.107 -3.347 327 2HD ARG 47 HD1 ARG 47 66.743 -15.220 -4.452 328 HE ARG 47 HE ARG 47 68.752 -14.626 -6.024 329 1HH1 ARG 47 HH11 ARG 47 70.394 -13.013 -4.299 330 2HH1 ARG 47 HH12 ARG 47 71.372 -14.157 -3.442 331 1HH2 ARG 47 HH21 ARG 47 69.329 -16.860 -4.179 332 2HH2 ARG 47 HH22 ARG 47 70.770 -16.333 -3.374 333 H MET 48 HN MET 48 65.296 -10.687 -2.746 334 HA MET 48 HA MET 48 62.905 -12.097 -3.295 335 1HB MET 48 HB2 MET 48 63.912 -10.354 -1.143 336 2HB MET 48 HB1 MET 48 62.155 -10.362 -1.301 337 1HG MET 48 HG2 MET 48 62.017 -12.696 -0.955 338 2HG MET 48 HG1 MET 48 63.731 -12.934 -1.289 339 1HE MET 48 HE3 MET 48 65.143 -13.604 0.352 340 2HE MET 48 HE2 MET 48 65.686 -11.928 0.315 341 3HE MET 48 HE1 MET 48 65.481 -12.745 1.862 342 H LEU 49 HN LEU 49 63.284 -8.539 -2.999 343 HA LEU 49 HA LEU 49 60.682 -7.878 -3.893 344 1HB LEU 49 HB2 LEU 49 63.056 -6.176 -4.621 345 2HB LEU 49 HB1 LEU 49 61.449 -5.670 -4.103 346 HG LEU 49 HG LEU 49 63.685 -6.806 -2.423 347 1HD1 LEU 49 HD12 LEU 49 62.070 -4.275 -2.541 348 2HD1 LEU 49 HD11 LEU 49 62.796 -4.775 -1.013 349 3HD1 LEU 49 HD13 LEU 49 63.818 -4.474 -2.419 350 1HD2 LEU 49 HD23 LEU 49 60.721 -6.887 -1.973 351 2HD2 LEU 49 HD22 LEU 49 61.952 -8.065 -1.518 352 3HD2 LEU 49 HD21 LEU 49 61.774 -6.574 -0.593 353 H GLY 50 HN GLY 50 63.445 -9.018 -5.665 354 1HA GLY 50 HA2 GLY 50 62.898 -10.029 -7.890 355 2HA GLY 50 HA1 GLY 50 61.909 -8.601 -8.201 356 H GLN 51 HN GLN 51 63.763 -6.673 -7.134 357 HA GLN 51 HA GLN 51 65.226 -5.889 -9.341 358 1HB GLN 51 HB2 GLN 51 65.635 -5.504 -6.399 359 2HB GLN 51 HB1 GLN 51 66.911 -4.978 -7.498 360 1HG GLN 51 HG2 GLN 51 65.694 -3.069 -7.673 361 2HG GLN 51 HG1 GLN 51 64.668 -4.014 -8.754 362 1HE2 GLN 51 HE22 GLN 51 61.981 -3.274 -6.581 363 2HE2 GLN 51 HE21 GLN 51 62.622 -3.136 -8.147 364 H ASN 52 HN ASN 52 67.260 -6.361 -10.215 365 HA ASN 52 HA ASN 52 68.988 -8.328 -8.846 366 1HB ASN 52 HB2 ASN 52 67.111 -9.230 -10.681 367 2HB ASN 52 HB1 ASN 52 68.577 -9.067 -11.650 368 1HD2 ASN 52 HD22 ASN 52 70.371 -11.348 -9.315 369 2HD2 ASN 52 HD21 ASN 52 70.590 -9.755 -9.860 370 HA PRO 53 HA PRO 53 71.136 -5.096 -11.396 371 1HB PRO 53 HB2 PRO 53 72.414 -3.882 -9.286 372 2HB PRO 53 HB1 PRO 53 70.818 -3.389 -9.878 373 1HG PRO 53 HG2 PRO 53 71.516 -4.910 -7.410 374 2HG PRO 53 HG1 PRO 53 70.112 -3.882 -7.733 375 1HD PRO 53 HD2 PRO 53 70.141 -6.713 -7.783 376 2HD PRO 53 HD1 PRO 53 68.849 -5.670 -8.412 377 H THR 54 HN THR 54 73.711 -4.560 -10.950 378 HA THR 54 HA THR 54 74.972 -7.235 -10.845 379 HB THR 54 HB THR 54 77.034 -5.604 -11.402 380 HG1 THR 54 HG1 THR 54 75.766 -4.040 -12.903 381 1HG2 THR 54 HG22 THR 54 74.829 -6.558 -13.235 382 2HG2 THR 54 HG21 THR 54 76.316 -5.832 -13.843 383 3HG2 THR 54 HG23 THR 54 76.382 -7.329 -12.913 384 H LYS 55 HN LYS 55 76.652 -7.748 -9.369 385 HA LYS 55 HA LYS 55 76.412 -6.840 -6.725 386 1HB LYS 55 HB2 LYS 55 78.052 -8.663 -8.111 387 2HB LYS 55 HB1 LYS 55 79.161 -7.567 -7.286 388 1HG LYS 55 HG2 LYS 55 78.450 -8.203 -5.188 389 2HG LYS 55 HG1 LYS 55 76.812 -8.563 -5.738 390 1HD LYS 55 HD2 LYS 55 78.526 -10.360 -7.101 391 2HD LYS 55 HD1 LYS 55 79.034 -10.367 -5.413 392 1HE LYS 55 HE2 LYS 55 76.284 -10.382 -5.197 393 2HE LYS 55 HE1 LYS 55 76.557 -11.385 -6.621 394 1HZ LYS 55 HZ3 LYS 55 78.437 -12.329 -5.016 395 2HZ LYS 55 HZ2 LYS 55 77.296 -11.856 -3.849 396 3HZ LYS 55 HZ1 LYS 55 76.864 -12.963 -5.062 397 H GLU 56 HN GLU 56 78.758 -5.767 -9.201 398 HA GLU 56 HA GLU 56 80.207 -3.916 -7.676 399 1HB GLU 56 HB2 GLU 56 79.694 -4.383 -10.494 400 2HB GLU 56 HB1 GLU 56 79.805 -2.656 -10.154 401 1HG GLU 56 HG2 GLU 56 81.837 -4.611 -9.078 402 2HG GLU 56 HG1 GLU 56 82.009 -3.883 -10.675 403 H GLU 57 HN GLU 57 77.357 -3.108 -9.700 404 HA GLU 57 HA GLU 57 76.973 -0.477 -8.881 405 1HB GLU 57 HB2 GLU 57 75.230 -2.629 -9.897 406 2HB GLU 57 HB1 GLU 57 74.383 -1.386 -8.977 407 1HG GLU 57 HG2 GLU 57 76.294 -0.814 -11.259 408 2HG GLU 57 HG1 GLU 57 74.538 -0.855 -11.418 409 H LEU 58 HN LEU 58 75.808 -3.419 -7.226 410 HA LEU 58 HA LEU 58 74.395 -2.190 -5.125 411 1HB LEU 58 HB2 LEU 58 75.155 -4.781 -5.745 412 2HB LEU 58 HB1 LEU 58 76.016 -4.468 -4.237 413 HG LEU 58 HG LEU 58 73.357 -3.403 -4.025 414 1HD1 LEU 58 HD11 LEU 58 73.269 -5.441 -5.812 415 2HD1 LEU 58 HD13 LEU 58 73.148 -6.350 -4.306 416 3HD1 LEU 58 HD12 LEU 58 71.964 -5.098 -4.675 417 1HD2 LEU 58 HD23 LEU 58 75.185 -5.271 -2.636 418 2HD2 LEU 58 HD22 LEU 58 74.182 -3.980 -1.976 419 3HD2 LEU 58 HD21 LEU 58 73.469 -5.550 -2.341 420 H ASP 59 HN ASP 59 77.891 -2.930 -5.311 421 HA ASP 59 HA ASP 59 78.578 -2.014 -2.712 422 1HB ASP 59 HB2 ASP 59 79.998 -3.124 -4.704 423 2HB ASP 59 HB1 ASP 59 80.465 -1.440 -4.950 424 H ALA 60 HN ALA 60 78.281 -0.220 -5.777 425 HA ALA 60 HA ALA 60 79.137 2.302 -4.660 426 1HB ALA 60 HB2 ALA 60 78.505 1.343 -7.208 427 2HB ALA 60 HB1 ALA 60 77.258 2.546 -6.877 428 3HB ALA 60 HB3 ALA 60 78.962 2.998 -6.802 429 H ILE 61 HN ILE 61 76.177 0.517 -4.564 430 HA ILE 61 HA ILE 61 74.452 2.799 -4.010 431 HB ILE 61 HB ILE 61 74.126 -0.197 -3.750 432 1HG1 ILE 61 HG12 ILE 61 72.523 1.718 -5.439 433 2HG1 ILE 61 HG11 ILE 61 74.094 1.137 -5.990 434 1HG2 ILE 61 HG22 ILE 61 72.217 2.022 -2.981 435 2HG2 ILE 61 HG21 ILE 61 71.687 0.372 -3.314 436 3HG2 ILE 61 HG23 ILE 61 72.786 0.692 -1.972 437 1HD1 ILE 61 HD12 ILE 61 72.656 -1.117 -5.013 438 2HD1 ILE 61 HD11 ILE 61 71.570 -0.220 -6.075 439 3HD1 ILE 61 HD13 ILE 61 73.132 -0.775 -6.677 440 H ILE 62 HN ILE 62 75.747 0.135 -2.008 441 HA ILE 62 HA ILE 62 74.824 0.804 0.498 442 HB ILE 62 HB ILE 62 77.550 -0.158 -0.386 443 1HG1 ILE 62 HG12 ILE 62 76.409 -2.130 1.088 444 2HG1 ILE 62 HG11 ILE 62 74.963 -1.341 0.458 445 1HG2 ILE 62 HG23 ILE 62 76.786 0.905 2.202 446 2HG2 ILE 62 HG22 ILE 62 77.194 -0.806 2.326 447 3HG2 ILE 62 HG21 ILE 62 78.362 0.333 1.656 448 1HD1 ILE 62 HD13 ILE 62 77.016 -1.641 -1.591 449 2HD1 ILE 62 HD12 ILE 62 76.544 -3.193 -0.901 450 3HD1 ILE 62 HD11 ILE 62 75.325 -2.141 -1.621 451 H GLU 63 HN GLU 63 77.584 2.330 -1.178 452 HA GLU 63 HA GLU 63 78.249 4.107 0.980 453 1HB GLU 63 HB2 GLU 63 78.987 3.792 -1.863 454 2HB GLU 63 HB1 GLU 63 79.126 5.434 -1.235 455 1HG GLU 63 HG2 GLU 63 81.237 4.372 -0.822 456 2HG GLU 63 HG1 GLU 63 80.403 4.451 0.732 457 H GLU 64 HN GLU 64 76.264 4.569 -1.956 458 HA GLU 64 HA GLU 64 75.629 7.319 -1.326 459 1HB GLU 64 HB2 GLU 64 74.773 5.306 -3.335 460 2HB GLU 64 HB1 GLU 64 73.628 6.604 -2.994 461 1HG GLU 64 HG2 GLU 64 74.975 7.470 -4.737 462 2HG GLU 64 HG1 GLU 64 75.643 8.197 -3.275 463 H VAL 65 HN VAL 65 74.548 4.397 0.023 464 HA VAL 65 HA VAL 65 71.896 5.522 0.738 465 HB VAL 65 HB VAL 65 73.062 2.807 1.414 466 1HG1 VAL 65 HG13 VAL 65 70.595 4.223 2.074 467 2HG1 VAL 65 HG12 VAL 65 70.281 2.690 1.260 468 3HG1 VAL 65 HG11 VAL 65 71.235 2.722 2.742 469 1HG2 VAL 65 HG21 VAL 65 72.710 3.521 -1.095 470 2HG2 VAL 65 HG23 VAL 65 72.110 1.956 -0.548 471 3HG2 VAL 65 HG22 VAL 65 71.001 3.318 -0.716 472 H ASP 66 HN ASP 66 74.942 4.501 2.240 473 HA ASP 66 HA ASP 66 73.952 5.224 4.918 474 1HB ASP 66 HB2 ASP 66 76.168 3.698 3.824 475 2HB ASP 66 HB1 ASP 66 76.731 4.848 5.037 476 H GLU 67 HN GLU 67 73.561 7.498 4.597 477 HA GLU 67 HA GLU 67 75.572 9.302 3.608 478 1HB GLU 67 HB2 GLU 67 74.170 11.064 4.694 479 2HB GLU 67 HB1 GLU 67 73.226 9.973 3.679 480 1HG GLU 67 HG2 GLU 67 71.921 9.532 5.459 481 2HG GLU 67 HG1 GLU 67 73.312 8.772 6.233 482 H ASP 68 HN ASP 68 74.924 7.885 6.747 483 HA ASP 68 HA ASP 68 76.916 9.667 8.035 484 1HB ASP 68 HB2 ASP 68 76.249 8.236 10.088 485 2HB ASP 68 HB1 ASP 68 75.036 9.340 9.435 486 H GLY 69 HN GLY 69 76.929 6.818 6.298 487 1HA GLY 69 HA2 GLY 69 78.473 5.061 6.104 488 2HA GLY 69 HA1 GLY 69 79.645 6.225 6.725 489 H SER 70 HN SER 70 76.802 5.134 8.505 490 HA SER 70 HA SER 70 78.335 4.521 10.850 491 1HB SER 70 HB2 SER 70 76.199 3.451 11.640 492 2HB SER 70 HB1 SER 70 75.991 5.099 11.054 493 HG SER 70 HG SER 70 74.490 4.109 9.911 494 H GLY 71 HN GLY 71 77.316 2.604 8.090 495 1HA GLY 71 HA2 GLY 71 78.573 0.597 7.484 496 2HA GLY 71 HA1 GLY 71 78.898 0.333 9.199 497 H THR 72 HN THR 72 75.698 1.325 8.482 498 HA THR 72 HA THR 72 74.677 -1.429 8.196 499 HB THR 72 HB THR 72 73.069 -0.642 10.238 500 HG1 THR 72 HG1 THR 72 74.297 1.209 10.642 501 1HG2 THR 72 HG21 THR 72 75.617 -2.219 10.134 502 2HG2 THR 72 HG23 THR 72 74.820 -1.971 11.687 503 3HG2 THR 72 HG22 THR 72 73.966 -2.785 10.377 504 H ILE 73 HN ILE 73 72.294 -1.405 7.809 505 HA ILE 73 HA ILE 73 71.425 1.239 6.703 506 HB ILE 73 HB ILE 73 70.722 -1.557 5.764 507 1HG1 ILE 73 HG12 ILE 73 73.045 -0.614 5.239 508 2HG1 ILE 73 HG11 ILE 73 72.070 -1.080 3.846 509 1HG2 ILE 73 HG22 ILE 73 69.908 1.168 4.705 510 2HG2 ILE 73 HG21 ILE 73 69.536 -0.377 3.939 511 3HG2 ILE 73 HG23 ILE 73 68.845 0.016 5.514 512 1HD1 ILE 73 HD13 ILE 73 71.578 1.680 4.671 513 2HD1 ILE 73 HD12 ILE 73 73.263 1.399 4.228 514 3HD1 ILE 73 HD11 ILE 73 71.976 1.040 3.076 515 H ASP 74 HN ASP 74 69.378 1.955 7.258 516 HA ASP 74 HA ASP 74 67.822 0.198 9.115 517 1HB ASP 74 HB2 ASP 74 68.119 3.218 9.152 518 2HB ASP 74 HB1 ASP 74 67.058 2.296 10.217 519 H PHE 75 HN PHE 75 65.419 1.032 9.186 520 HA PHE 75 HA PHE 75 64.238 0.655 6.665 521 1HB PHE 75 HB2 PHE 75 63.149 0.650 9.020 522 2HB PHE 75 HB1 PHE 75 62.950 2.385 8.774 523 HD1 PHE 75 HD2 PHE 75 62.763 -0.440 6.336 524 HD2 PHE 75 HD1 PHE 75 60.663 2.729 8.331 525 HE1 PHE 75 HE2 PHE 75 60.770 -0.873 4.923 526 HE2 PHE 75 HE1 PHE 75 58.669 2.299 6.919 527 HZ PHE 75 HZ PHE 75 58.723 0.499 5.215 528 H GLU 76 HN GLU 76 65.214 3.674 8.254 529 HA GLU 76 HA GLU 76 64.038 5.481 6.397 530 1HB GLU 76 HB2 GLU 76 66.664 5.839 7.874 531 2HB GLU 76 HB1 GLU 76 65.629 7.119 7.240 532 1HG GLU 76 HG2 GLU 76 64.431 5.143 9.142 533 2HG GLU 76 HG1 GLU 76 65.483 6.400 9.792 534 H GLU 77 HN GLU 77 67.480 4.472 6.517 535 HA GLU 77 HA GLU 77 68.084 5.482 3.907 536 1HB GLU 77 HB2 GLU 77 69.486 3.179 5.288 537 2HB GLU 77 HB1 GLU 77 70.168 4.302 4.111 538 1HG GLU 77 HG2 GLU 77 69.704 6.167 5.748 539 2HG GLU 77 HG1 GLU 77 69.272 4.933 6.935 540 H PHE 78 HN PHE 78 66.280 2.759 4.869 541 HA PHE 78 HA PHE 78 66.932 0.961 2.717 542 1HB PHE 78 HB2 PHE 78 65.308 0.858 4.967 543 2HB PHE 78 HB1 PHE 78 64.155 0.834 3.632 544 HD1 PHE 78 HD1 PHE 78 67.080 -0.875 5.128 545 HD2 PHE 78 HD2 PHE 78 64.028 -1.033 2.111 546 HE1 PHE 78 HE1 PHE 78 67.636 -3.251 4.690 547 HE2 PHE 78 HE2 PHE 78 64.584 -3.409 1.672 548 HZ PHE 78 HZ PHE 78 66.389 -4.519 2.961 549 H LEU 79 HN LEU 79 64.026 3.012 3.150 550 HA LEU 79 HA LEU 79 62.885 2.738 0.641 551 1HB LEU 79 HB2 LEU 79 63.175 5.350 2.161 552 2HB LEU 79 HB1 LEU 79 61.973 5.007 0.917 553 HG LEU 79 HG LEU 79 62.240 3.385 3.463 554 1HD1 LEU 79 HD13 LEU 79 61.402 6.020 3.319 555 2HD1 LEU 79 HD12 LEU 79 59.893 5.120 3.172 556 3HD1 LEU 79 HD11 LEU 79 60.936 4.867 4.572 557 1HD2 LEU 79 HD21 LEU 79 60.075 3.616 1.347 558 2HD2 LEU 79 HD23 LEU 79 61.144 2.236 1.589 559 3HD2 LEU 79 HD22 LEU 79 59.951 2.652 2.820 560 H VAL 80 HN VAL 80 65.854 4.381 1.462 561 HA VAL 80 HA VAL 80 66.102 5.937 -0.950 562 HB VAL 80 HB VAL 80 68.208 4.854 0.945 563 1HG1 VAL 80 HG13 VAL 80 68.400 6.256 -1.614 564 2HG1 VAL 80 HG12 VAL 80 69.182 7.142 -0.306 565 3HG1 VAL 80 HG11 VAL 80 69.669 5.486 -0.662 566 1HG2 VAL 80 HG23 VAL 80 66.409 6.523 1.752 567 2HG2 VAL 80 HG22 VAL 80 68.094 6.971 2.017 568 3HG2 VAL 80 HG21 VAL 80 67.191 7.688 0.685 569 H MET 81 HN MET 81 67.464 2.766 0.001 570 HA MET 81 HA MET 81 68.797 2.208 -2.436 571 1HB MET 81 HB2 MET 81 67.445 0.328 -0.478 572 2HB MET 81 HB1 MET 81 68.501 -0.202 -1.788 573 1HG MET 81 HG2 MET 81 70.056 1.712 -0.638 574 2HG MET 81 HG1 MET 81 69.184 1.114 0.772 575 1HE MET 81 HE2 MET 81 71.633 1.118 1.099 576 2HE MET 81 HE1 MET 81 71.906 -0.483 1.782 577 3HE MET 81 HE3 MET 81 72.808 0.038 0.353 578 H MET 82 HN MET 82 65.401 2.003 -1.576 579 HA MET 82 HA MET 82 64.578 0.402 -3.826 580 1HB MET 82 HB2 MET 82 62.865 2.470 -2.439 581 2HB MET 82 HB1 MET 82 62.351 0.967 -3.206 582 1HG MET 82 HG2 MET 82 63.951 1.266 -0.652 583 2HG MET 82 HG1 MET 82 62.329 0.600 -0.823 584 1HE MET 82 HE2 MET 82 62.201 -0.965 -3.181 585 2HE MET 82 HE1 MET 82 62.844 -2.581 -2.903 586 3HE MET 82 HE3 MET 82 61.778 -1.831 -1.707 587 H VAL 83 HN VAL 83 63.986 3.897 -3.277 588 HA VAL 83 HA VAL 83 63.326 4.470 -5.979 589 HB VAL 83 HB VAL 83 64.657 6.386 -4.048 590 1HG1 VAL 83 HG11 VAL 83 62.914 6.638 -6.494 591 2HG1 VAL 83 HG13 VAL 83 62.963 7.926 -5.291 592 3HG1 VAL 83 HG12 VAL 83 64.437 7.453 -6.135 593 1HG2 VAL 83 HG21 VAL 83 61.948 5.137 -4.066 594 2HG2 VAL 83 HG23 VAL 83 62.913 5.706 -2.704 595 3HG2 VAL 83 HG22 VAL 83 62.033 6.861 -3.705 596 H ARG 84 HN ARG 84 66.354 3.731 -4.565 597 HA ARG 84 HA ARG 84 68.091 5.253 -6.260 598 1HB ARG 84 HB2 ARG 84 68.458 3.545 -4.147 599 2HB ARG 84 HB1 ARG 84 69.035 2.565 -5.496 600 1HG ARG 84 HG2 ARG 84 70.941 3.753 -5.559 601 2HG ARG 84 HG1 ARG 84 70.017 5.229 -5.847 602 1HD ARG 84 HD2 ARG 84 69.605 4.763 -3.149 603 2HD ARG 84 HD1 ARG 84 71.284 4.274 -3.380 604 HE ARG 84 HE ARG 84 70.393 6.967 -3.317 605 1HH1 ARG 84 HH21 ARG 84 72.532 4.784 -4.893 606 2HH1 ARG 84 HH22 ARG 84 73.471 6.032 -5.644 607 1HH2 ARG 84 HH11 ARG 84 71.502 8.615 -4.431 608 2HH2 ARG 84 HH12 ARG 84 72.889 8.200 -5.382 609 H GLN 85 HN GLN 85 66.977 1.854 -6.546 610 HA GLN 85 HA GLN 85 68.073 1.681 -9.255 611 1HB GLN 85 HB2 GLN 85 68.215 -0.387 -8.209 612 2HB GLN 85 HB1 GLN 85 66.701 -0.165 -7.335 613 1HG GLN 85 HG2 GLN 85 66.407 -1.870 -9.055 614 2HG GLN 85 HG1 GLN 85 65.461 -0.439 -9.471 615 1HE2 GLN 85 HE22 GLN 85 68.864 -1.223 -11.660 616 2HE2 GLN 85 HE21 GLN 85 68.768 -1.777 -10.057 617 H MET 86 HN MET 86 64.829 1.766 -7.756 618 HA MET 86 HA MET 86 63.256 1.509 -10.064 619 1HB MET 86 HB2 MET 86 62.881 3.092 -7.524 620 2HB MET 86 HB1 MET 86 61.666 3.130 -8.804 621 1HG MET 86 HG2 MET 86 62.061 0.465 -8.651 622 2HG MET 86 HG1 MET 86 62.429 0.907 -6.985 623 1HE MET 86 HE3 MET 86 60.794 3.552 -6.781 624 2HE MET 86 HE2 MET 86 59.285 3.032 -6.035 625 3HE MET 86 HE1 MET 86 60.815 2.370 -5.464 626 H LYS 87 HN LYS 87 64.326 4.616 -8.619 627 HA LYS 87 HA LYS 87 63.930 5.860 -11.301 628 1HB LYS 87 HB2 LYS 87 63.447 6.734 -8.591 629 2HB LYS 87 HB1 LYS 87 64.563 7.843 -9.389 630 1HG LYS 87 HG2 LYS 87 62.679 7.339 -11.357 631 2HG LYS 87 HG1 LYS 87 61.709 7.402 -9.885 632 1HD LYS 87 HD2 LYS 87 63.639 9.511 -9.772 633 2HD LYS 87 HD1 LYS 87 62.831 9.586 -11.337 634 1HE LYS 87 HE2 LYS 87 60.670 9.723 -10.321 635 2HE LYS 87 HE1 LYS 87 61.313 9.294 -8.737 636 1HZ LYS 87 HZ2 LYS 87 62.725 11.383 -9.002 637 2HZ LYS 87 HZ1 LYS 87 61.639 11.816 -10.236 638 3HZ LYS 87 HZ3 LYS 87 61.075 11.588 -8.653 639 H GLU 88 HN GLU 88 66.096 4.493 -11.601 640 HA GLU 88 HA GLU 88 68.461 5.944 -10.582 641 1HB GLU 88 HB2 GLU 88 68.094 3.315 -11.018 642 2HB GLU 88 HB1 GLU 88 68.735 3.766 -12.599 643 1HG GLU 88 HG2 GLU 88 70.121 4.778 -10.142 644 2HG GLU 88 HG1 GLU 88 70.380 3.105 -10.633 645 H ASP 89 HN ASP 89 67.417 4.840 -13.834 646 HA ASP 89 HA ASP 89 68.134 7.508 -14.907 647 1HB ASP 89 HB2 ASP 89 69.760 5.119 -15.221 648 2HB ASP 89 HB1 ASP 89 69.201 5.718 -16.785 649 H ALA 90 HN ALA 90 65.742 5.568 -14.569 650 HA ALA 90 HA ALA 90 64.851 4.572 -17.034 651 1HB ALA 90 HB1 ALA 90 63.733 4.715 -14.595 652 2HB ALA 90 HB3 ALA 90 62.853 6.032 -15.371 653 3HB ALA 90 HB2 ALA 90 62.779 4.403 -16.045 No H/Q in entry = 653 Start of MODEL 34 1 1H ALA 1 HT1 ALA 1 67.222 12.822 15.931 2 2H ALA 1 HT3 ALA 1 68.126 11.587 16.661 3 3H ALA 1 HT2 ALA 1 68.779 13.150 16.527 4 HA ALA 1 HA ALA 1 69.817 11.881 14.853 5 1HB ALA 1 HB2 ALA 1 67.905 10.129 14.994 6 2HB ALA 1 HB1 ALA 1 67.109 11.115 13.768 7 3HB ALA 1 HB3 ALA 1 68.678 10.384 13.429 8 H SER 2 HN SER 2 68.682 12.044 12.190 9 HA SER 2 HA SER 2 67.678 14.788 11.882 10 1HB SER 2 HB2 SER 2 70.322 14.717 12.105 11 2HB SER 2 HB1 SER 2 70.230 14.198 10.426 12 HG SER 2 HG SER 2 69.485 16.114 9.864 13 H MET 3 HN MET 3 66.348 14.801 10.126 14 HA MET 3 HA MET 3 66.228 12.419 8.424 15 1HB MET 3 HB2 MET 3 64.499 14.675 9.070 16 2HB MET 3 HB1 MET 3 64.528 14.353 7.337 17 1HG MET 3 HG2 MET 3 63.181 12.581 7.646 18 2HG MET 3 HG1 MET 3 64.405 11.839 8.676 19 1HE MET 3 HE2 MET 3 63.585 10.762 10.225 20 2HE MET 3 HE1 MET 3 64.092 11.802 11.553 21 3HE MET 3 HE3 MET 3 62.440 11.176 11.497 22 H THR 4 HN THR 4 67.981 12.353 7.028 23 HA THR 4 HA THR 4 69.145 14.642 5.760 24 HB THR 4 HB THR 4 70.059 12.881 4.140 25 HG1 THR 4 HG1 THR 4 69.631 10.762 4.686 26 1HG2 THR 4 HG23 THR 4 70.474 13.150 7.038 27 2HG2 THR 4 HG22 THR 4 71.054 11.623 6.374 28 3HG2 THR 4 HG21 THR 4 71.654 13.151 5.728 29 H ASP 5 HN ASP 5 68.730 15.575 3.742 30 HA ASP 5 HA ASP 5 66.078 15.523 2.738 31 1HB ASP 5 HB2 ASP 5 68.508 16.225 1.080 32 2HB ASP 5 HB1 ASP 5 66.877 16.884 0.948 33 H GLN 6 HN GLN 6 68.753 13.393 2.165 34 HA GLN 6 HA GLN 6 68.010 12.360 -0.389 35 1HB GLN 6 HB2 GLN 6 70.026 11.849 1.431 36 2HB GLN 6 HB1 GLN 6 69.078 10.363 1.481 37 1HG GLN 6 HG2 GLN 6 69.333 9.997 -0.856 38 2HG GLN 6 HG1 GLN 6 69.909 11.642 -1.128 39 1HE2 GLN 6 HE22 GLN 6 72.575 9.338 0.975 40 2HE2 GLN 6 HE21 GLN 6 70.957 9.421 1.481 41 H GLN 7 HN GLN 7 67.117 11.301 2.904 42 HA GLN 7 HA GLN 7 65.305 9.254 1.880 43 1HB GLN 7 HB2 GLN 7 65.556 10.426 4.668 44 2HB GLN 7 HB1 GLN 7 64.677 8.956 4.241 45 1HG GLN 7 HG2 GLN 7 66.641 7.771 3.746 46 2HG GLN 7 HG1 GLN 7 67.586 9.243 3.523 47 1HE2 GLN 7 HE22 GLN 7 68.616 8.027 6.833 48 2HE2 GLN 7 HE21 GLN 7 68.855 7.618 5.204 49 H ALA 8 HN ALA 8 65.119 12.631 2.431 50 HA ALA 8 HA ALA 8 62.294 12.802 3.027 51 1HB ALA 8 HB2 ALA 8 63.872 14.653 3.503 52 2HB ALA 8 HB1 ALA 8 64.130 14.864 1.771 53 3HB ALA 8 HB3 ALA 8 62.544 15.185 2.470 54 H GLU 9 HN GLU 9 64.140 13.401 0.012 55 HA GLU 9 HA GLU 9 61.790 13.670 -1.621 56 1HB GLU 9 HB2 GLU 9 64.673 13.633 -2.003 57 2HB GLU 9 HB1 GLU 9 63.846 12.746 -3.285 58 1HG GLU 9 HG2 GLU 9 62.226 14.874 -3.182 59 2HG GLU 9 HG1 GLU 9 63.697 15.642 -2.586 60 H ALA 10 HN ALA 10 63.865 10.913 -0.793 61 HA ALA 10 HA ALA 10 62.799 9.016 -2.605 62 1HB ALA 10 HB1 ALA 10 63.870 8.688 0.209 63 2HB ALA 10 HB3 ALA 10 63.448 7.325 -0.826 64 3HB ALA 10 HB2 ALA 10 64.735 8.431 -1.305 65 H ARG 11 HN ARG 11 61.694 9.899 0.672 66 HA ARG 11 HA ARG 11 59.473 8.060 0.674 67 1HB ARG 11 HB2 ARG 11 60.534 10.157 2.404 68 2HB ARG 11 HB1 ARG 11 58.770 10.175 2.355 69 1HG ARG 11 HG2 ARG 11 58.730 7.764 2.886 70 2HG ARG 11 HG1 ARG 11 60.493 7.748 2.943 71 1HD ARG 11 HD2 ARG 11 59.921 8.008 5.203 72 2HD ARG 11 HD1 ARG 11 60.205 9.672 4.689 73 HE ARG 11 HE ARG 11 57.426 8.619 4.607 74 1HH1 ARG 11 HH21 ARG 11 58.411 11.536 4.290 75 2HH1 ARG 11 HH22 ARG 11 57.930 12.192 5.820 76 1HH2 ARG 11 HH11 ARG 11 57.416 9.093 7.287 77 2HH2 ARG 11 HH12 ARG 11 57.366 10.809 7.517 78 H ALA 12 HN ALA 12 59.900 11.387 -0.415 79 HA ALA 12 HA ALA 12 57.116 11.991 -0.778 80 1HB ALA 12 HB3 ALA 12 59.544 13.078 -2.239 81 2HB ALA 12 HB2 ALA 12 57.931 13.793 -2.268 82 3HB ALA 12 HB1 ALA 12 58.845 13.743 -0.762 83 H PHE 13 HN PHE 13 59.486 10.290 -2.745 84 HA PHE 13 HA PHE 13 57.674 10.210 -5.065 85 1HB PHE 13 HB2 PHE 13 60.156 10.366 -5.342 86 2HB PHE 13 HB1 PHE 13 60.303 8.765 -4.616 87 HD1 PHE 13 HD2 PHE 13 59.433 6.769 -5.767 88 HD2 PHE 13 HD1 PHE 13 59.271 10.658 -7.581 89 HE1 PHE 13 HE2 PHE 13 58.967 5.723 -7.967 90 HE2 PHE 13 HE1 PHE 13 58.805 9.614 -9.781 91 HZ PHE 13 HZ PHE 13 58.653 7.145 -9.975 92 H LEU 14 HN LEU 14 58.497 8.259 -2.304 93 HA LEU 14 HA LEU 14 57.181 5.871 -3.466 94 1HB LEU 14 HB2 LEU 14 58.444 6.282 -0.736 95 2HB LEU 14 HB1 LEU 14 57.892 4.744 -1.401 96 HG LEU 14 HG LEU 14 60.004 6.482 -2.703 97 1HD1 LEU 14 HD13 LEU 14 60.313 5.101 -0.345 98 2HD1 LEU 14 HD12 LEU 14 60.791 3.894 -1.538 99 3HD1 LEU 14 HD11 LEU 14 61.617 5.451 -1.480 100 1HD2 LEU 14 HD22 LEU 14 58.436 4.449 -3.744 101 2HD2 LEU 14 HD21 LEU 14 59.998 4.960 -4.383 102 3HD2 LEU 14 HD23 LEU 14 59.907 3.604 -3.260 103 H SER 15 HN SER 15 55.043 5.505 -3.129 104 HA SER 15 HA SER 15 53.549 7.273 -1.318 105 1HB SER 15 HB2 SER 15 51.991 5.104 -2.441 106 2HB SER 15 HB1 SER 15 51.839 6.835 -2.718 107 HG SER 15 HG SER 15 52.472 6.140 -4.648 108 H GLU 16 HN GLU 16 52.092 6.387 0.343 109 HA GLU 16 HA GLU 16 53.375 4.555 2.105 110 1HB GLU 16 HB2 GLU 16 51.005 6.153 2.101 111 2HB GLU 16 HB1 GLU 16 50.557 4.518 2.590 112 1HG GLU 16 HG2 GLU 16 51.494 4.825 4.610 113 2HG GLU 16 HG1 GLU 16 53.035 5.243 3.863 114 H GLU 17 HN GLU 17 51.503 3.995 -0.713 115 HA GLU 17 HA GLU 17 50.357 1.452 -0.030 116 1HB GLU 17 HB2 GLU 17 50.768 3.052 -2.462 117 2HB GLU 17 HB1 GLU 17 50.816 1.312 -2.746 118 1HG GLU 17 HG2 GLU 17 48.514 2.102 -2.952 119 2HG GLU 17 HG1 GLU 17 48.657 1.085 -1.520 120 H MET 18 HN MET 18 53.195 2.094 -2.132 121 HA MET 18 HA MET 18 54.105 -0.642 -1.949 122 1HB MET 18 HB2 MET 18 55.529 1.884 -2.837 123 2HB MET 18 HB1 MET 18 56.182 0.256 -3.021 124 1HG MET 18 HG2 MET 18 54.920 -0.125 -4.849 125 2HG MET 18 HG1 MET 18 53.457 0.404 -4.018 126 1HE MET 18 HE3 MET 18 55.794 0.838 -6.682 127 2HE MET 18 HE2 MET 18 56.020 2.553 -7.023 128 3HE MET 18 HE1 MET 18 56.827 1.823 -5.638 129 H ILE 19 HN ILE 19 55.054 2.381 -0.332 130 HA ILE 19 HA ILE 19 57.307 1.469 1.077 131 HB ILE 19 HB ILE 19 55.132 3.383 1.969 132 1HG1 ILE 19 HG12 ILE 19 57.859 3.754 0.690 133 2HG1 ILE 19 HG11 ILE 19 56.296 4.104 -0.047 134 1HG2 ILE 19 HG23 ILE 19 57.841 2.718 3.144 135 2HG2 ILE 19 HG22 ILE 19 56.990 4.220 3.502 136 3HG2 ILE 19 HG21 ILE 19 56.274 2.673 3.952 137 1HD1 ILE 19 HD11 ILE 19 57.041 5.418 2.550 138 2HD1 ILE 19 HD13 ILE 19 57.668 6.061 1.032 139 3HD1 ILE 19 HD12 ILE 19 55.927 5.975 1.303 140 H ALA 20 HN ALA 20 53.874 0.957 1.770 141 HA ALA 20 HA ALA 20 54.188 -0.158 4.383 142 1HB ALA 20 HB2 ALA 20 52.100 -0.462 2.226 143 2HB ALA 20 HB1 ALA 20 51.998 -1.388 3.725 144 3HB ALA 20 HB3 ALA 20 51.970 0.375 3.774 145 H GLU 21 HN GLU 21 54.368 -1.603 1.150 146 HA GLU 21 HA GLU 21 54.584 -4.326 2.083 147 1HB GLU 21 HB2 GLU 21 55.277 -2.938 -0.508 148 2HB GLU 21 HB1 GLU 21 55.626 -4.649 -0.258 149 1HG GLU 21 HG2 GLU 21 52.879 -3.588 0.344 150 2HG GLU 21 HG1 GLU 21 53.331 -3.954 -1.321 151 H PHE 22 HN PHE 22 56.972 -1.818 1.260 152 HA PHE 22 HA PHE 22 59.298 -3.441 1.505 153 1HB PHE 22 HB2 PHE 22 59.068 -0.515 2.259 154 2HB PHE 22 HB1 PHE 22 60.524 -1.371 1.750 155 HD1 PHE 22 HD1 PHE 22 59.007 -3.074 -0.389 156 HD2 PHE 22 HD2 PHE 22 59.178 1.134 0.456 157 HE1 PHE 22 HE1 PHE 22 58.472 -2.575 -2.758 158 HE2 PHE 22 HE2 PHE 22 58.644 1.632 -1.913 159 HZ PHE 22 HZ PHE 22 58.290 -0.223 -3.521 160 H LYS 23 HN LYS 23 57.402 -1.684 3.936 161 HA LYS 23 HA LYS 23 59.184 -2.077 6.131 162 1HB LYS 23 HB2 LYS 23 57.375 -0.513 6.379 163 2HB LYS 23 HB1 LYS 23 56.176 -1.754 6.013 164 1HG LYS 23 HG2 LYS 23 56.260 -1.370 8.432 165 2HG LYS 23 HG1 LYS 23 56.861 -2.986 8.061 166 1HD LYS 23 HD2 LYS 23 58.706 -2.434 9.237 167 2HD LYS 23 HD1 LYS 23 59.130 -1.383 7.885 168 1HE LYS 23 HE2 LYS 23 59.153 -0.115 9.992 169 2HE LYS 23 HE1 LYS 23 57.861 0.466 8.940 170 1HZ LYS 23 HZ2 LYS 23 57.328 -1.652 10.917 171 2HZ LYS 23 HZ1 LYS 23 57.347 -0.023 11.399 172 3HZ LYS 23 HZ3 LYS 23 56.247 -0.542 10.216 173 H ALA 24 HN ALA 24 56.978 -4.229 4.510 174 HA ALA 24 HA ALA 24 56.764 -6.164 6.654 175 1HB ALA 24 HB3 ALA 24 55.135 -6.068 4.797 176 2HB ALA 24 HB2 ALA 24 56.406 -6.526 3.663 177 3HB ALA 24 HB1 ALA 24 55.882 -7.662 4.906 178 H ALA 25 HN ALA 25 58.935 -5.760 3.873 179 HA ALA 25 HA ALA 25 60.334 -8.268 4.396 180 1HB ALA 25 HB2 ALA 25 60.574 -6.012 2.473 181 2HB ALA 25 HB1 ALA 25 62.058 -6.900 2.826 182 3HB ALA 25 HB3 ALA 25 60.653 -7.751 2.184 183 H PHE 26 HN PHE 26 60.630 -4.940 5.418 184 HA PHE 26 HA PHE 26 63.349 -4.929 6.243 185 1HB PHE 26 HB2 PHE 26 61.506 -3.033 6.239 186 2HB PHE 26 HB1 PHE 26 61.254 -3.566 7.902 187 HD1 PHE 26 HD1 PHE 26 64.088 -2.772 5.566 188 HD2 PHE 26 HD2 PHE 26 62.540 -2.574 9.568 189 HE1 PHE 26 HE1 PHE 26 66.096 -1.503 6.280 190 HE2 PHE 26 HE2 PHE 26 64.549 -1.305 10.282 191 HZ PHE 26 HZ PHE 26 66.326 -0.770 8.638 192 H ASP 27 HN ASP 27 60.495 -5.436 8.359 193 HA ASP 27 HA ASP 27 61.944 -6.379 10.597 194 1HB ASP 27 HB2 ASP 27 59.132 -6.592 9.644 195 2HB ASP 27 HB1 ASP 27 59.636 -7.747 10.879 196 H MET 28 HN MET 28 61.354 -7.899 7.570 197 HA MET 28 HA MET 28 61.349 -10.642 8.283 198 1HB MET 28 HB2 MET 28 61.402 -9.204 5.913 199 2HB MET 28 HB1 MET 28 62.955 -10.039 5.906 200 1HG MET 28 HG2 MET 28 60.230 -11.320 6.274 201 2HG MET 28 HG1 MET 28 61.268 -11.461 4.854 202 1HE MET 28 HE2 MET 28 63.559 -12.145 4.878 203 2HE MET 28 HE1 MET 28 64.283 -11.755 6.436 204 3HE MET 28 HE3 MET 28 64.255 -13.429 5.864 205 H PHE 29 HN PHE 29 64.216 -9.005 6.927 206 HA PHE 29 HA PHE 29 65.952 -10.871 8.373 207 1HB PHE 29 HB2 PHE 29 67.776 -9.812 7.151 208 2HB PHE 29 HB1 PHE 29 66.462 -10.200 6.047 209 HD1 PHE 29 HD2 PHE 29 65.077 -7.606 7.797 210 HD2 PHE 29 HD1 PHE 29 68.276 -8.311 5.020 211 HE1 PHE 29 HE2 PHE 29 64.983 -5.237 7.091 212 HE2 PHE 29 HE1 PHE 29 68.179 -5.938 4.313 213 HZ PHE 29 HZ PHE 29 66.533 -4.400 5.348 214 H ASP 30 HN ASP 30 64.468 -9.185 10.122 215 HA ASP 30 HA ASP 30 66.663 -7.476 11.223 216 1HB ASP 30 HB2 ASP 30 63.951 -6.810 10.582 217 2HB ASP 30 HB1 ASP 30 64.144 -6.722 12.333 218 H ALA 31 HN ALA 31 66.948 -9.965 12.010 219 HA ALA 31 HA ALA 31 65.279 -10.830 14.192 220 1HB ALA 31 HB1 ALA 31 67.182 -12.056 12.727 221 2HB ALA 31 HB3 ALA 31 68.146 -11.636 14.143 222 3HB ALA 31 HB2 ALA 31 66.700 -12.633 14.323 223 H ASP 32 HN ASP 32 68.141 -8.781 13.973 224 HA ASP 32 HA ASP 32 68.540 -8.689 16.863 225 1HB ASP 32 HB2 ASP 32 70.424 -8.331 15.315 226 2HB ASP 32 HB1 ASP 32 69.619 -6.905 14.659 227 H GLY 33 HN GLY 33 66.557 -7.035 14.560 228 1HA GLY 33 HA2 GLY 33 64.947 -5.355 14.867 229 2HA GLY 33 HA1 GLY 33 65.108 -5.634 16.602 230 H GLY 34 HN GLY 34 68.075 -4.953 15.073 231 1HA GLY 34 HA2 GLY 34 68.522 -2.576 16.583 232 2HA GLY 34 HA1 GLY 34 69.497 -3.091 15.207 233 H GLY 35 HN GLY 35 67.133 -3.113 13.403 234 1HA GLY 35 HA2 GLY 35 65.551 -1.407 12.564 235 2HA GLY 35 HA1 GLY 35 66.619 -0.175 13.237 236 H ASP 36 HN ASP 36 68.576 -2.519 11.944 237 HA ASP 36 HA ASP 36 68.422 -1.797 9.131 238 1HB ASP 36 HB2 ASP 36 70.712 -0.699 9.128 239 2HB ASP 36 HB1 ASP 36 69.426 0.270 9.846 240 H ILE 37 HN ILE 37 69.557 -3.316 7.916 241 HA ILE 37 HA ILE 37 71.108 -5.310 9.501 242 HB ILE 37 HB ILE 37 70.354 -6.979 8.090 243 1HG1 ILE 37 HG12 ILE 37 71.298 -5.872 6.023 244 2HG1 ILE 37 HG11 ILE 37 69.774 -6.714 5.753 245 1HG2 ILE 37 HG21 ILE 37 68.434 -5.484 9.100 246 2HG2 ILE 37 HG23 ILE 37 68.114 -5.103 7.408 247 3HG2 ILE 37 HG22 ILE 37 68.044 -6.774 7.963 248 1HD1 ILE 37 HD13 ILE 37 68.641 -4.446 6.198 249 2HD1 ILE 37 HD12 ILE 37 70.245 -3.742 5.995 250 3HD1 ILE 37 HD11 ILE 37 69.496 -4.629 4.667 251 H SER 38 HN SER 38 73.211 -5.875 8.836 252 HA SER 38 HA SER 38 74.886 -3.964 7.714 253 1HB SER 38 HB2 SER 38 75.120 -6.693 8.444 254 2HB SER 38 HB1 SER 38 75.762 -6.561 6.810 255 HG SER 38 HG SER 38 77.291 -5.217 7.505 256 H THR 39 HN THR 39 75.375 -3.292 5.622 257 HA THR 39 HA THR 39 73.500 -3.759 3.541 258 HB THR 39 HB THR 39 74.898 -2.468 2.154 259 HG1 THR 39 HG1 THR 39 76.745 -3.767 2.321 260 1HG2 THR 39 HG23 THR 39 74.578 -1.747 4.888 261 2HG2 THR 39 HG22 THR 39 76.176 -1.199 4.381 262 3HG2 THR 39 HG21 THR 39 74.742 -0.675 3.496 263 H LYS 40 HN LYS 40 76.134 -5.681 4.635 264 HA LYS 40 HA LYS 40 76.888 -7.039 2.267 265 1HB LYS 40 HB2 LYS 40 76.728 -7.869 5.162 266 2HB LYS 40 HB1 LYS 40 77.187 -9.037 3.922 267 1HG LYS 40 HG2 LYS 40 78.818 -7.066 3.178 268 2HG LYS 40 HG1 LYS 40 78.649 -6.610 4.873 269 1HD LYS 40 HD2 LYS 40 79.165 -9.487 4.284 270 2HD LYS 40 HD1 LYS 40 80.507 -8.364 4.061 271 1HE LYS 40 HE2 LYS 40 80.720 -7.984 6.293 272 2HE LYS 40 HE1 LYS 40 78.976 -7.955 6.549 273 1HZ LYS 40 HZ1 LYS 40 79.137 -10.463 6.117 274 2HZ LYS 40 HZ3 LYS 40 80.790 -10.275 6.444 275 3HZ LYS 40 HZ2 LYS 40 79.640 -9.869 7.627 276 H ALA 41 HN ALA 41 74.107 -7.478 4.406 277 HA ALA 41 HA ALA 41 73.102 -9.722 2.775 278 1HB ALA 41 HB1 ALA 41 72.887 -9.427 5.370 279 2HB ALA 41 HB3 ALA 41 71.542 -8.361 4.961 280 3HB ALA 41 HB2 ALA 41 71.508 -10.054 4.466 281 H LEU 42 HN LEU 42 72.830 -6.296 2.927 282 HA LEU 42 HA LEU 42 70.228 -5.775 2.071 283 1HB LEU 42 HB2 LEU 42 72.776 -4.412 1.961 284 2HB LEU 42 HB1 LEU 42 71.907 -4.154 0.453 285 HG LEU 42 HG LEU 42 71.132 -2.391 1.778 286 1HD1 LEU 42 HD13 LEU 42 69.332 -4.406 1.172 287 2HD1 LEU 42 HD12 LEU 42 69.005 -4.076 2.876 288 3HD1 LEU 42 HD11 LEU 42 68.911 -2.773 1.688 289 1HD2 LEU 42 HD22 LEU 42 71.430 -4.356 4.021 290 2HD2 LEU 42 HD21 LEU 42 72.038 -2.705 3.890 291 3HD2 LEU 42 HD23 LEU 42 70.331 -2.989 4.216 292 H GLY 43 HN GLY 43 72.899 -7.160 0.246 293 1HA GLY 43 HA2 GLY 43 71.671 -6.908 -2.354 294 2HA GLY 43 HA1 GLY 43 73.006 -7.988 -1.951 295 H THR 44 HN THR 44 71.654 -9.465 0.117 296 HA THR 44 HA THR 44 70.296 -11.412 -1.498 297 HB THR 44 HB THR 44 71.488 -11.554 0.893 298 HG1 THR 44 HG1 THR 44 70.968 -13.542 0.570 299 1HG2 THR 44 HG23 THR 44 68.547 -11.248 1.552 300 2HG2 THR 44 HG22 THR 44 69.750 -11.910 2.657 301 3HG2 THR 44 HG21 THR 44 69.868 -10.233 2.129 302 H VAL 45 HN VAL 45 69.145 -9.047 0.878 303 HA VAL 45 HA VAL 45 66.372 -9.599 0.675 304 HB VAL 45 HB VAL 45 67.636 -6.874 1.085 305 1HG1 VAL 45 HG13 VAL 45 64.938 -8.060 1.442 306 2HG1 VAL 45 HG12 VAL 45 65.502 -7.005 2.739 307 3HG1 VAL 45 HG11 VAL 45 65.399 -6.395 1.086 308 1HG2 VAL 45 HG21 VAL 45 68.269 -9.109 2.525 309 2HG2 VAL 45 HG23 VAL 45 68.266 -7.477 3.193 310 3HG2 VAL 45 HG22 VAL 45 66.864 -8.524 3.416 311 H MET 46 HN MET 46 68.528 -7.794 -1.429 312 HA MET 46 HA MET 46 66.617 -6.339 -2.935 313 1HB MET 46 HB2 MET 46 69.369 -7.368 -3.422 314 2HB MET 46 HB1 MET 46 68.430 -6.906 -4.842 315 1HG MET 46 HG2 MET 46 68.272 -4.989 -2.608 316 2HG MET 46 HG1 MET 46 69.882 -5.155 -3.310 317 1HE MET 46 HE2 MET 46 68.958 -2.800 -3.135 318 2HE MET 46 HE1 MET 46 69.284 -2.106 -4.721 319 3HE MET 46 HE3 MET 46 67.632 -2.139 -4.089 320 H ARG 47 HN ARG 47 67.702 -9.707 -3.225 321 HA ARG 47 HA ARG 47 66.043 -10.170 -5.595 322 1HB ARG 47 HB2 ARG 47 68.094 -11.607 -4.109 323 2HB ARG 47 HB1 ARG 47 66.728 -12.653 -4.500 324 1HG ARG 47 HG2 ARG 47 66.931 -11.524 -6.876 325 2HG ARG 47 HG1 ARG 47 68.581 -11.190 -6.350 326 1HD ARG 47 HD2 ARG 47 67.232 -13.875 -6.662 327 2HD ARG 47 HD1 ARG 47 68.709 -13.300 -7.436 328 HE ARG 47 HE ARG 47 69.080 -13.290 -4.599 329 1HH1 ARG 47 HH11 ARG 47 71.167 -14.416 -6.268 330 2HH1 ARG 47 HH12 ARG 47 71.017 -16.125 -6.032 331 1HH2 ARG 47 HH21 ARG 47 67.809 -15.929 -4.728 332 2HH2 ARG 47 HH22 ARG 47 69.115 -16.981 -5.161 333 H MET 48 HN MET 48 65.710 -10.442 -2.132 334 HA MET 48 HA MET 48 63.547 -12.312 -2.051 335 1HB MET 48 HB2 MET 48 64.461 -10.105 -0.209 336 2HB MET 48 HB1 MET 48 63.003 -11.035 0.140 337 1HG MET 48 HG2 MET 48 64.984 -12.921 -0.572 338 2HG MET 48 HG1 MET 48 65.760 -11.789 0.535 339 1HE MET 48 HE1 MET 48 65.998 -12.164 2.552 340 2HE MET 48 HE3 MET 48 65.003 -13.015 3.742 341 3HE MET 48 HE2 MET 48 65.923 -13.924 2.545 342 H LEU 49 HN LEU 49 63.660 -8.818 -2.585 343 HA LEU 49 HA LEU 49 60.712 -8.666 -2.649 344 1HB LEU 49 HB2 LEU 49 62.482 -6.398 -3.488 345 2HB LEU 49 HB1 LEU 49 60.959 -6.356 -2.600 346 HG LEU 49 HG LEU 49 63.660 -7.230 -1.544 347 1HD1 LEU 49 HD13 LEU 49 62.490 -4.720 -1.700 348 2HD1 LEU 49 HD12 LEU 49 62.079 -5.253 -0.069 349 3HD1 LEU 49 HD11 LEU 49 63.767 -5.187 -0.577 350 1HD2 LEU 49 HD22 LEU 49 61.777 -8.682 -0.744 351 2HD2 LEU 49 HD21 LEU 49 62.522 -7.742 0.549 352 3HD2 LEU 49 HD23 LEU 49 60.975 -7.235 -0.129 353 H GLY 50 HN GLY 50 63.377 -9.058 -4.825 354 1HA GLY 50 HA2 GLY 50 62.683 -9.973 -7.072 355 2HA GLY 50 HA1 GLY 50 61.503 -8.665 -7.126 356 H GLN 51 HN GLN 51 65.015 -9.252 -6.928 357 HA GLN 51 HA GLN 51 65.683 -7.474 -9.025 358 1HB GLN 51 HB2 GLN 51 64.909 -6.076 -6.709 359 2HB GLN 51 HB1 GLN 51 66.669 -5.998 -6.732 360 1HG GLN 51 HG2 GLN 51 66.645 -5.130 -9.012 361 2HG GLN 51 HG1 GLN 51 64.891 -5.306 -9.088 362 1HE2 GLN 51 HE22 GLN 51 64.325 -2.174 -7.600 363 2HE2 GLN 51 HE21 GLN 51 63.725 -3.462 -8.529 364 H ASN 52 HN ASN 52 67.725 -8.059 -9.606 365 HA ASN 52 HA ASN 52 69.648 -8.849 -7.477 366 1HB ASN 52 HB2 ASN 52 70.278 -10.873 -8.726 367 2HB ASN 52 HB1 ASN 52 68.573 -10.931 -8.284 368 1HD2 ASN 52 HD22 ASN 52 69.608 -10.988 -12.184 369 2HD2 ASN 52 HD21 ASN 52 70.764 -11.057 -10.942 370 HA PRO 53 HA PRO 53 71.543 -6.195 -10.721 371 1HB PRO 53 HB2 PRO 53 72.639 -4.416 -8.932 372 2HB PRO 53 HB1 PRO 53 71.008 -4.250 -9.604 373 1HG PRO 53 HG2 PRO 53 71.833 -5.117 -6.871 374 2HG PRO 53 HG1 PRO 53 70.325 -4.349 -7.397 375 1HD PRO 53 HD2 PRO 53 70.674 -7.101 -6.834 376 2HD PRO 53 HD1 PRO 53 69.286 -6.373 -7.672 377 H THR 54 HN THR 54 73.917 -5.761 -11.004 378 HA THR 54 HA THR 54 75.505 -7.992 -10.029 379 HB THR 54 HB THR 54 75.814 -7.000 -12.293 380 HG1 THR 54 HG1 THR 54 77.546 -8.097 -11.416 381 1HG2 THR 54 HG23 THR 54 76.672 -4.627 -10.637 382 2HG2 THR 54 HG22 THR 54 77.183 -4.832 -12.313 383 3HG2 THR 54 HG21 THR 54 75.470 -4.678 -11.925 384 H LYS 55 HN LYS 55 77.300 -7.879 -8.601 385 HA LYS 55 HA LYS 55 77.062 -6.220 -6.335 386 1HB LYS 55 HB2 LYS 55 79.613 -7.466 -7.410 387 2HB LYS 55 HB1 LYS 55 79.321 -6.959 -5.746 388 1HG LYS 55 HG2 LYS 55 77.157 -8.624 -6.360 389 2HG LYS 55 HG1 LYS 55 78.554 -9.431 -7.070 390 1HD LYS 55 HD2 LYS 55 79.701 -8.883 -4.777 391 2HD LYS 55 HD1 LYS 55 78.044 -8.721 -4.194 392 1HE LYS 55 HE2 LYS 55 77.942 -11.060 -5.666 393 2HE LYS 55 HE1 LYS 55 79.537 -11.141 -4.919 394 1HZ LYS 55 HZ1 LYS 55 77.213 -10.360 -3.296 395 2HZ LYS 55 HZ3 LYS 55 77.471 -11.999 -3.641 396 3HZ LYS 55 HZ2 LYS 55 78.660 -11.111 -2.814 397 H GLU 56 HN GLU 56 78.344 -5.483 -9.449 398 HA GLU 56 HA GLU 56 80.224 -3.454 -8.784 399 1HB GLU 56 HB2 GLU 56 78.559 -4.115 -11.174 400 2HB GLU 56 HB1 GLU 56 79.289 -2.509 -11.106 401 1HG GLU 56 HG2 GLU 56 81.141 -4.643 -10.320 402 2HG GLU 56 HG1 GLU 56 80.563 -4.804 -11.980 403 H GLU 57 HN GLU 57 76.901 -2.858 -9.998 404 HA GLU 57 HA GLU 57 76.880 -0.164 -8.965 405 1HB GLU 57 HB2 GLU 57 74.430 -0.261 -9.512 406 2HB GLU 57 HB1 GLU 57 75.469 -0.730 -10.857 407 1HG GLU 57 HG2 GLU 57 75.089 -3.126 -9.542 408 2HG GLU 57 HG1 GLU 57 73.523 -2.335 -9.354 409 H LEU 58 HN LEU 58 76.379 -3.209 -7.497 410 HA LEU 58 HA LEU 58 74.466 -2.433 -5.481 411 1HB LEU 58 HB2 LEU 58 75.476 -4.813 -6.221 412 2HB LEU 58 HB1 LEU 58 76.531 -4.489 -4.845 413 HG LEU 58 HG LEU 58 74.492 -5.729 -4.164 414 1HD1 LEU 58 HD12 LEU 58 75.627 -4.093 -2.632 415 2HD1 LEU 58 HD11 LEU 58 74.475 -2.867 -3.162 416 3HD1 LEU 58 HD13 LEU 58 73.908 -4.293 -2.294 417 1HD2 LEU 58 HD21 LEU 58 73.243 -4.011 -5.985 418 2HD2 LEU 58 HD23 LEU 58 72.437 -5.140 -4.896 419 3HD2 LEU 58 HD22 LEU 58 72.676 -3.461 -4.409 420 H ASP 59 HN ASP 59 78.016 -2.914 -5.227 421 HA ASP 59 HA ASP 59 78.341 -1.852 -2.644 422 1HB ASP 59 HB2 ASP 59 80.046 -2.818 -4.534 423 2HB ASP 59 HB1 ASP 59 80.438 -1.100 -4.594 424 H ALA 60 HN ALA 60 78.464 -0.105 -5.763 425 HA ALA 60 HA ALA 60 78.934 2.481 -4.677 426 1HB ALA 60 HB1 ALA 60 78.067 1.358 -7.236 427 2HB ALA 60 HB3 ALA 60 77.315 2.917 -6.897 428 3HB ALA 60 HB2 ALA 60 79.073 2.771 -6.918 429 H ILE 61 HN ILE 61 75.948 0.651 -5.156 430 HA ILE 61 HA ILE 61 74.105 2.743 -4.561 431 HB ILE 61 HB ILE 61 74.002 -0.263 -4.319 432 1HG1 ILE 61 HG12 ILE 61 72.262 1.564 -5.972 433 2HG1 ILE 61 HG11 ILE 61 73.871 1.099 -6.527 434 1HG2 ILE 61 HG23 ILE 61 72.609 0.700 -2.501 435 2HG2 ILE 61 HG22 ILE 61 71.749 1.668 -3.697 436 3HG2 ILE 61 HG21 ILE 61 71.631 -0.093 -3.735 437 1HD1 ILE 61 HD12 ILE 61 72.159 -1.112 -5.538 438 2HD1 ILE 61 HD11 ILE 61 71.647 -0.361 -7.049 439 3HD1 ILE 61 HD13 ILE 61 73.258 -1.069 -6.917 440 H ILE 62 HN ILE 62 75.130 0.098 -2.373 441 HA ILE 62 HA ILE 62 74.116 1.109 0.016 442 HB ILE 62 HB ILE 62 76.687 -0.401 -0.515 443 1HG1 ILE 62 HG12 ILE 62 74.169 -1.421 0.793 444 2HG1 ILE 62 HG11 ILE 62 74.297 -1.348 -0.965 445 1HG2 ILE 62 HG21 ILE 62 75.382 0.436 2.076 446 2HG2 ILE 62 HG23 ILE 62 76.422 -0.985 1.981 447 3HG2 ILE 62 HG22 ILE 62 77.072 0.607 1.594 448 1HD1 ILE 62 HD11 ILE 62 76.369 -2.699 0.781 449 2HD1 ILE 62 HD13 ILE 62 75.002 -3.558 0.068 450 3HD1 ILE 62 HD12 ILE 62 76.208 -2.801 -0.973 451 H GLU 63 HN GLU 63 76.901 2.217 -1.798 452 HA GLU 63 HA GLU 63 78.126 3.747 0.305 453 1HB GLU 63 HB2 GLU 63 78.437 3.422 -2.584 454 2HB GLU 63 HB1 GLU 63 78.709 5.086 -2.063 455 1HG GLU 63 HG2 GLU 63 80.552 4.538 -0.797 456 2HG GLU 63 HG1 GLU 63 79.941 2.927 -0.417 457 H GLU 64 HN GLU 64 76.049 4.818 -2.417 458 HA GLU 64 HA GLU 64 75.728 7.482 -1.395 459 1HB GLU 64 HB2 GLU 64 73.803 5.984 -3.192 460 2HB GLU 64 HB1 GLU 64 74.008 7.731 -3.070 461 1HG GLU 64 HG2 GLU 64 76.518 6.343 -3.647 462 2HG GLU 64 HG1 GLU 64 75.296 6.084 -4.893 463 H VAL 65 HN VAL 65 74.438 4.506 -0.367 464 HA VAL 65 HA VAL 65 72.003 5.728 0.789 465 HB VAL 65 HB VAL 65 73.072 2.890 0.888 466 1HG1 VAL 65 HG12 VAL 65 70.679 4.238 2.097 467 2HG1 VAL 65 HG11 VAL 65 70.539 2.566 1.554 468 3HG1 VAL 65 HG13 VAL 65 71.725 2.997 2.785 469 1HG2 VAL 65 HG21 VAL 65 71.453 4.419 -1.015 470 2HG2 VAL 65 HG23 VAL 65 72.235 2.850 -1.216 471 3HG2 VAL 65 HG22 VAL 65 70.644 2.952 -0.461 472 H ASP 66 HN ASP 66 75.222 4.754 1.713 473 HA ASP 66 HA ASP 66 74.579 4.963 4.594 474 1HB ASP 66 HB2 ASP 66 76.679 3.747 2.999 475 2HB ASP 66 HB1 ASP 66 77.362 4.756 4.276 476 H GLU 67 HN GLU 67 73.955 7.328 4.086 477 HA GLU 67 HA GLU 67 75.952 9.259 3.413 478 1HB GLU 67 HB2 GLU 67 73.244 9.296 4.625 479 2HB GLU 67 HB1 GLU 67 74.268 10.683 4.997 480 1HG GLU 67 HG2 GLU 67 74.075 9.716 2.160 481 2HG GLU 67 HG1 GLU 67 72.783 10.715 2.826 482 H ASP 68 HN ASP 68 75.301 7.516 6.347 483 HA ASP 68 HA ASP 68 77.086 9.348 7.876 484 1HB ASP 68 HB2 ASP 68 76.315 7.773 9.806 485 2HB ASP 68 HB1 ASP 68 75.161 8.941 9.163 486 H GLY 69 HN GLY 69 76.818 6.064 6.642 487 1HA GLY 69 HA2 GLY 69 78.648 4.604 6.194 488 2HA GLY 69 HA1 GLY 69 79.703 5.694 7.096 489 H SER 70 HN SER 70 76.646 4.300 8.233 490 HA SER 70 HA SER 70 77.904 3.438 10.706 491 1HB SER 70 HB2 SER 70 75.602 2.323 11.038 492 2HB SER 70 HB1 SER 70 75.632 4.080 10.908 493 HG SER 70 HG SER 70 74.718 2.147 9.115 494 H GLY 71 HN GLY 71 77.613 2.068 7.600 495 1HA GLY 71 HA2 GLY 71 78.660 0.025 6.927 496 2HA GLY 71 HA1 GLY 71 78.710 -0.477 8.617 497 H THR 72 HN THR 72 75.664 0.742 7.969 498 HA THR 72 HA THR 72 74.583 -1.802 6.912 499 HB THR 72 HB THR 72 73.183 -2.257 8.774 500 HG1 THR 72 HG1 THR 72 72.534 -0.165 9.236 501 1HG2 THR 72 HG22 THR 72 75.903 -1.357 9.748 502 2HG2 THR 72 HG21 THR 72 74.784 -2.319 10.712 503 3HG2 THR 72 HG23 THR 72 75.446 -2.975 9.216 504 H ILE 73 HN ILE 73 71.981 -1.477 7.013 505 HA ILE 73 HA ILE 73 71.419 1.331 6.154 506 HB ILE 73 HB ILE 73 70.237 -1.129 4.846 507 1HG1 ILE 73 HG12 ILE 73 72.775 -0.897 4.595 508 2HG1 ILE 73 HG11 ILE 73 71.852 -0.929 3.093 509 1HG2 ILE 73 HG22 ILE 73 68.977 1.011 4.673 510 2HG2 ILE 73 HG21 ILE 73 70.404 1.773 3.971 511 3HG2 ILE 73 HG23 ILE 73 69.587 0.470 3.108 512 1HD1 ILE 73 HD12 ILE 73 72.221 1.758 4.273 513 2HD1 ILE 73 HD11 ILE 73 73.698 0.986 3.696 514 3HD1 ILE 73 HD13 ILE 73 72.347 1.238 2.591 515 H ASP 74 HN ASP 74 69.576 2.174 7.055 516 HA ASP 74 HA ASP 74 67.935 0.331 8.727 517 1HB ASP 74 HB2 ASP 74 67.081 2.605 9.652 518 2HB ASP 74 HB1 ASP 74 68.715 2.098 10.085 519 H PHE 75 HN PHE 75 65.536 1.250 8.881 520 HA PHE 75 HA PHE 75 64.258 0.790 6.419 521 1HB PHE 75 HB2 PHE 75 63.281 0.936 8.836 522 2HB PHE 75 HB1 PHE 75 63.055 2.645 8.462 523 HD1 PHE 75 HD2 PHE 75 62.780 -0.400 6.299 524 HD2 PHE 75 HD1 PHE 75 60.768 2.971 8.047 525 HE1 PHE 75 HE2 PHE 75 60.732 -0.952 5.011 526 HE2 PHE 75 HE1 PHE 75 58.723 2.419 6.757 527 HZ PHE 75 HZ PHE 75 58.705 0.458 5.240 528 H GLU 76 HN GLU 76 65.211 3.889 7.892 529 HA GLU 76 HA GLU 76 64.065 5.568 5.885 530 1HB GLU 76 HB2 GLU 76 66.485 6.010 7.660 531 2HB GLU 76 HB1 GLU 76 65.701 7.269 6.706 532 1HG GLU 76 HG2 GLU 76 63.525 6.464 7.935 533 2HG GLU 76 HG1 GLU 76 64.660 5.795 9.109 534 H GLU 77 HN GLU 77 67.307 4.109 6.164 535 HA GLU 77 HA GLU 77 68.294 5.314 3.728 536 1HB GLU 77 HB2 GLU 77 69.243 2.838 5.202 537 2HB GLU 77 HB1 GLU 77 70.142 3.691 3.946 538 1HG GLU 77 HG2 GLU 77 70.081 5.750 5.357 539 2HG GLU 77 HG1 GLU 77 69.299 4.815 6.632 540 H PHE 78 HN PHE 78 66.256 2.606 4.392 541 HA PHE 78 HA PHE 78 66.840 1.050 2.044 542 1HB PHE 78 HB2 PHE 78 65.179 0.776 4.269 543 2HB PHE 78 HB1 PHE 78 64.059 0.903 2.912 544 HD1 PHE 78 HD1 PHE 78 66.839 -1.037 4.371 545 HD2 PHE 78 HD2 PHE 78 64.008 -0.771 1.149 546 HE1 PHE 78 HE1 PHE 78 67.362 -3.372 3.718 547 HE2 PHE 78 HE2 PHE 78 64.532 -3.105 0.497 548 HZ PHE 78 HZ PHE 78 66.208 -4.406 1.781 549 H LEU 79 HN LEU 79 63.973 3.096 2.701 550 HA LEU 79 HA LEU 79 62.853 3.177 0.179 551 1HB LEU 79 HB2 LEU 79 63.222 5.616 1.946 552 2HB LEU 79 HB1 LEU 79 61.974 5.388 0.721 553 HG LEU 79 HG LEU 79 62.322 3.741 3.245 554 1HD1 LEU 79 HD13 LEU 79 60.263 5.781 2.361 555 2HD1 LEU 79 HD12 LEU 79 60.052 4.716 3.751 556 3HD1 LEU 79 HD11 LEU 79 61.358 5.901 3.738 557 1HD2 LEU 79 HD23 LEU 79 61.067 3.125 0.732 558 2HD2 LEU 79 HD22 LEU 79 61.114 2.148 2.200 559 3HD2 LEU 79 HD21 LEU 79 59.815 3.317 1.960 560 H VAL 80 HN VAL 80 65.754 4.874 1.264 561 HA VAL 80 HA VAL 80 66.057 6.491 -1.107 562 HB VAL 80 HB VAL 80 68.000 5.579 1.027 563 1HG1 VAL 80 HG13 VAL 80 68.446 7.423 -1.338 564 2HG1 VAL 80 HG12 VAL 80 69.536 7.305 0.044 565 3HG1 VAL 80 HG11 VAL 80 69.287 5.909 -1.005 566 1HG2 VAL 80 HG21 VAL 80 66.502 8.130 0.405 567 2HG2 VAL 80 HG23 VAL 80 66.463 7.179 1.889 568 3HG2 VAL 80 HG22 VAL 80 67.902 8.109 1.477 569 H MET 81 HN MET 81 67.566 3.419 -0.068 570 HA MET 81 HA MET 81 69.177 2.967 -2.327 571 1HB MET 81 HB2 MET 81 68.858 1.569 -0.129 572 2HB MET 81 HB1 MET 81 67.654 0.697 -1.079 573 1HG MET 81 HG2 MET 81 69.259 0.017 -2.691 574 2HG MET 81 HG1 MET 81 70.448 1.185 -2.116 575 1HE MET 81 HE3 MET 81 71.180 1.301 0.274 576 2HE MET 81 HE2 MET 81 71.917 -0.122 1.006 577 3HE MET 81 HE1 MET 81 72.431 0.402 -0.597 578 H MET 82 HN MET 82 65.740 2.137 -1.845 579 HA MET 82 HA MET 82 65.372 0.847 -4.368 580 1HB MET 82 HB2 MET 82 63.277 2.444 -2.873 581 2HB MET 82 HB1 MET 82 63.013 1.083 -3.964 582 1HG MET 82 HG2 MET 82 64.374 1.001 -1.256 583 2HG MET 82 HG1 MET 82 62.825 0.274 -1.685 584 1HE MET 82 HE1 MET 82 62.491 -1.421 -3.499 585 2HE MET 82 HE3 MET 82 63.569 -0.722 -4.714 586 3HE MET 82 HE2 MET 82 63.731 -2.416 -4.259 587 H VAL 83 HN VAL 83 64.484 4.191 -3.410 588 HA VAL 83 HA VAL 83 63.804 5.056 -6.032 589 HB VAL 83 HB VAL 83 65.007 6.763 -3.834 590 1HG1 VAL 83 HG11 VAL 83 63.686 7.257 -6.430 591 2HG1 VAL 83 HG13 VAL 83 63.055 8.215 -5.090 592 3HG1 VAL 83 HG12 VAL 83 64.769 8.296 -5.501 593 1HG2 VAL 83 HG21 VAL 83 62.750 5.146 -3.637 594 2HG2 VAL 83 HG23 VAL 83 63.091 6.561 -2.642 595 3HG2 VAL 83 HG22 VAL 83 62.091 6.719 -4.086 596 H ARG 84 HN ARG 84 66.850 4.292 -4.678 597 HA ARG 84 HA ARG 84 68.540 6.082 -6.130 598 1HB ARG 84 HB2 ARG 84 68.880 3.912 -4.361 599 2HB ARG 84 HB1 ARG 84 69.735 3.464 -5.837 600 1HG ARG 84 HG2 ARG 84 71.363 4.677 -4.668 601 2HG ARG 84 HG1 ARG 84 70.673 5.903 -5.732 602 1HD ARG 84 HD2 ARG 84 69.011 5.962 -3.501 603 2HD ARG 84 HD1 ARG 84 70.622 5.745 -2.816 604 HE ARG 84 HE ARG 84 71.253 7.879 -3.704 605 1HH1 ARG 84 HH21 ARG 84 70.687 8.975 -5.909 606 2HH1 ARG 84 HH22 ARG 84 69.073 9.602 -5.934 607 1HH2 ARG 84 HH11 ARG 84 68.040 7.780 -3.169 608 2HH2 ARG 84 HH12 ARG 84 67.575 8.926 -4.382 609 H GLN 85 HN GLN 85 67.280 2.843 -6.936 610 HA GLN 85 HA GLN 85 68.396 3.151 -9.678 611 1HB GLN 85 HB2 GLN 85 67.467 0.832 -8.023 612 2HB GLN 85 HB1 GLN 85 67.394 0.699 -9.781 613 1HG GLN 85 HG2 GLN 85 69.855 1.380 -8.144 614 2HG GLN 85 HG1 GLN 85 69.548 -0.147 -8.975 615 1HE2 GLN 85 HE22 GLN 85 69.638 1.822 -12.216 616 2HE2 GLN 85 HE21 GLN 85 68.374 1.056 -11.383 617 H MET 86 HN MET 86 65.630 3.965 -8.085 618 HA MET 86 HA MET 86 63.552 2.980 -9.780 619 1HB MET 86 HB2 MET 86 63.845 5.293 -7.899 620 2HB MET 86 HB1 MET 86 62.457 5.264 -8.988 621 1HG MET 86 HG2 MET 86 62.319 2.736 -8.123 622 2HG MET 86 HG1 MET 86 63.129 3.440 -6.724 623 1HE MET 86 HE1 MET 86 60.467 2.032 -6.542 624 2HE MET 86 HE3 MET 86 61.108 2.873 -5.123 625 3HE MET 86 HE2 MET 86 59.428 3.103 -5.604 626 H LYS 87 HN LYS 87 64.161 6.453 -9.737 627 HA LYS 87 HA LYS 87 64.593 6.365 -12.690 628 1HB LYS 87 HB2 LYS 87 63.139 8.469 -12.773 629 2HB LYS 87 HB1 LYS 87 62.286 6.954 -12.480 630 1HG LYS 87 HG2 LYS 87 61.518 7.735 -10.517 631 2HG LYS 87 HG1 LYS 87 63.168 8.023 -9.965 632 1HD LYS 87 HD2 LYS 87 62.760 10.088 -11.758 633 2HD LYS 87 HD1 LYS 87 61.184 9.928 -10.982 634 1HE LYS 87 HE2 LYS 87 62.210 10.116 -8.774 635 2HE LYS 87 HE1 LYS 87 63.818 10.167 -9.498 636 1HZ LYS 87 HZ2 LYS 87 62.359 12.117 -10.782 637 2HZ LYS 87 HZ1 LYS 87 61.949 12.272 -9.141 638 3HZ LYS 87 HZ3 LYS 87 63.574 12.352 -9.617 639 H GLU 88 HN GLU 88 66.826 6.835 -12.346 640 HA GLU 88 HA GLU 88 67.343 9.570 -11.246 641 1HB GLU 88 HB2 GLU 88 68.323 7.468 -10.043 642 2HB GLU 88 HB1 GLU 88 69.451 7.428 -11.398 643 1HG GLU 88 HG2 GLU 88 70.664 8.857 -10.095 644 2HG GLU 88 HG1 GLU 88 69.559 10.066 -10.750 645 H ASP 89 HN ASP 89 67.909 7.280 -13.840 646 HA ASP 89 HA ASP 89 69.518 9.346 -15.277 647 1HB ASP 89 HB2 ASP 89 69.964 6.620 -14.948 648 2HB ASP 89 HB1 ASP 89 69.295 6.735 -16.576 649 H ALA 90 HN ALA 90 66.662 9.601 -15.022 650 HA ALA 90 HA ALA 90 65.926 9.359 -17.903 651 1HB ALA 90 HB3 ALA 90 64.807 7.546 -16.619 652 2HB ALA 90 HB2 ALA 90 64.078 8.763 -15.573 653 3HB ALA 90 HB1 ALA 90 63.649 8.699 -17.282 No H/Q in entry = 653 Start of MODEL 35 1 1H ALA 1 HT2 ALA 1 74.790 13.644 10.819 2 2H ALA 1 HT1 ALA 1 74.212 13.664 9.222 3 3H ALA 1 HT3 ALA 1 75.856 13.944 9.529 4 HA ALA 1 HA ALA 1 75.358 16.003 10.648 5 1HB ALA 1 HB2 ALA 1 75.581 15.859 8.109 6 2HB ALA 1 HB1 ALA 1 73.820 15.916 8.044 7 3HB ALA 1 HB3 ALA 1 74.721 17.271 8.723 8 H SER 2 HN SER 2 72.338 15.078 8.958 9 HA SER 2 HA SER 2 70.777 15.323 11.413 10 1HB SER 2 HB2 SER 2 71.312 17.717 10.276 11 2HB SER 2 HB1 SER 2 69.885 17.267 9.347 12 HG SER 2 HG SER 2 70.182 17.589 12.139 13 H MET 3 HN MET 3 70.268 15.782 7.894 14 HA MET 3 HA MET 3 69.008 13.217 7.553 15 1HB MET 3 HB2 MET 3 66.689 13.989 7.218 16 2HB MET 3 HB1 MET 3 67.217 14.297 8.873 17 1HG MET 3 HG2 MET 3 67.957 16.627 7.900 18 2HG MET 3 HG1 MET 3 66.795 16.247 6.629 19 1HE MET 3 HE3 MET 3 67.709 17.623 9.533 20 2HE MET 3 HE2 MET 3 66.327 18.716 9.561 21 3HE MET 3 HE1 MET 3 66.496 17.485 10.812 22 H THR 4 HN THR 4 70.183 13.090 5.635 23 HA THR 4 HA THR 4 70.537 15.150 3.732 24 HB THR 4 HB THR 4 71.263 13.456 2.229 25 HG1 THR 4 HG1 THR 4 69.552 11.778 3.735 26 1HG2 THR 4 HG23 THR 4 72.133 13.508 4.842 27 2HG2 THR 4 HG22 THR 4 71.774 11.798 4.601 28 3HG2 THR 4 HG21 THR 4 72.914 12.618 3.534 29 H ASP 5 HN ASP 5 69.301 15.858 1.990 30 HA ASP 5 HA ASP 5 66.461 15.555 2.129 31 1HB ASP 5 HB2 ASP 5 68.294 16.583 -0.050 32 2HB ASP 5 HB1 ASP 5 66.536 16.610 -0.193 33 H GLN 6 HN GLN 6 68.866 13.500 0.855 34 HA GLN 6 HA GLN 6 67.547 12.327 -1.368 35 1HB GLN 6 HB2 GLN 6 69.436 11.139 0.683 36 2HB GLN 6 HB1 GLN 6 68.892 10.264 -0.749 37 1HG GLN 6 HG2 GLN 6 69.678 12.611 -1.877 38 2HG GLN 6 HG1 GLN 6 70.806 12.512 -0.526 39 1HE2 GLN 6 HE22 GLN 6 71.631 9.026 -1.911 40 2HE2 GLN 6 HE21 GLN 6 70.680 9.479 -0.579 41 H GLN 7 HN GLN 7 67.145 11.811 2.104 42 HA GLN 7 HA GLN 7 65.387 9.513 1.778 43 1HB GLN 7 HB2 GLN 7 65.429 11.283 4.215 44 2HB GLN 7 HB1 GLN 7 65.183 9.539 4.120 45 1HG GLN 7 HG2 GLN 7 67.581 9.396 3.233 46 2HG GLN 7 HG1 GLN 7 67.761 11.073 3.754 47 1HE2 GLN 7 HE22 GLN 7 68.405 8.331 6.487 48 2HE2 GLN 7 HE21 GLN 7 68.644 8.168 4.814 49 H ALA 8 HN ALA 8 64.952 13.003 2.231 50 HA ALA 8 HA ALA 8 62.081 12.874 2.518 51 1HB ALA 8 HB1 ALA 8 63.770 14.818 3.061 52 2HB ALA 8 HB3 ALA 8 63.486 15.273 1.381 53 3HB ALA 8 HB2 ALA 8 62.138 15.209 2.517 54 H GLU 9 HN GLU 9 64.204 12.591 -0.167 55 HA GLU 9 HA GLU 9 62.192 13.436 -2.142 56 1HB GLU 9 HB2 GLU 9 65.038 12.933 -2.125 57 2HB GLU 9 HB1 GLU 9 64.273 12.016 -3.423 58 1HG GLU 9 HG2 GLU 9 63.030 14.199 -3.994 59 2HG GLU 9 HG1 GLU 9 64.213 14.998 -2.959 60 H ALA 10 HN ALA 10 63.996 10.379 -1.606 61 HA ALA 10 HA ALA 10 62.392 8.734 -3.222 62 1HB ALA 10 HB2 ALA 10 64.563 8.263 -1.729 63 2HB ALA 10 HB1 ALA 10 63.348 7.609 -0.627 64 3HB ALA 10 HB3 ALA 10 63.502 6.957 -2.258 65 H ARG 11 HN ARG 11 61.837 9.836 0.095 66 HA ARG 11 HA ARG 11 59.615 8.108 0.653 67 1HB ARG 11 HB2 ARG 11 60.974 10.270 1.947 68 2HB ARG 11 HB1 ARG 11 59.244 10.613 1.969 69 1HG ARG 11 HG2 ARG 11 58.740 8.600 3.103 70 2HG ARG 11 HG1 ARG 11 60.311 7.893 2.720 71 1HD ARG 11 HD2 ARG 11 60.340 8.580 5.045 72 2HD ARG 11 HD1 ARG 11 61.384 9.670 4.135 73 HE ARG 11 HE ARG 11 58.736 10.365 5.277 74 1HH1 ARG 11 HH21 ARG 11 58.110 12.223 3.683 75 2HH1 ARG 11 HH22 ARG 11 59.316 13.464 3.620 76 1HH2 ARG 11 HH11 ARG 11 61.780 11.511 5.082 77 2HH2 ARG 11 HH12 ARG 11 61.394 13.061 4.413 78 H ALA 12 HN ALA 12 59.865 11.274 -0.916 79 HA ALA 12 HA ALA 12 57.020 11.735 -1.062 80 1HB ALA 12 HB2 ALA 12 59.467 12.984 -2.099 81 2HB ALA 12 HB1 ALA 12 58.103 13.097 -3.210 82 3HB ALA 12 HB3 ALA 12 57.961 13.734 -1.572 83 H PHE 13 HN PHE 13 59.305 9.941 -3.025 84 HA PHE 13 HA PHE 13 57.476 9.669 -5.287 85 1HB PHE 13 HB2 PHE 13 59.989 9.562 -5.478 86 2HB PHE 13 HB1 PHE 13 59.929 8.008 -4.646 87 HD1 PHE 13 HD1 PHE 13 57.882 9.637 -7.345 88 HD2 PHE 13 HD2 PHE 13 60.173 6.219 -6.111 89 HE1 PHE 13 HE1 PHE 13 57.350 8.508 -9.488 90 HE2 PHE 13 HE2 PHE 13 59.640 5.089 -8.254 91 HZ PHE 13 HZ PHE 13 58.229 6.233 -9.941 92 H LEU 14 HN LEU 14 58.266 7.831 -2.388 93 HA LEU 14 HA LEU 14 56.555 5.586 -3.293 94 1HB LEU 14 HB2 LEU 14 57.927 5.809 -0.613 95 2HB LEU 14 HB1 LEU 14 57.439 4.350 -1.475 96 HG LEU 14 HG LEU 14 59.474 6.256 -2.631 97 1HD1 LEU 14 HD13 LEU 14 60.089 5.347 -0.297 98 2HD1 LEU 14 HD12 LEU 14 60.158 3.763 -1.068 99 3HD1 LEU 14 HD11 LEU 14 61.239 5.051 -1.601 100 1HD2 LEU 14 HD21 LEU 14 58.297 3.640 -3.298 101 2HD2 LEU 14 HD23 LEU 14 59.098 4.810 -4.347 102 3HD2 LEU 14 HD22 LEU 14 60.057 3.674 -3.397 103 H SER 15 HN SER 15 54.440 5.481 -2.709 104 HA SER 15 HA SER 15 53.306 7.527 -0.964 105 1HB SER 15 HB2 SER 15 51.905 5.069 -2.035 106 2HB SER 15 HB1 SER 15 51.177 6.596 -1.544 107 HG SER 15 HG SER 15 51.341 6.837 -3.678 108 H GLU 16 HN GLU 16 51.654 6.657 0.769 109 HA GLU 16 HA GLU 16 53.138 5.388 2.838 110 1HB GLU 16 HB2 GLU 16 50.245 6.041 2.405 111 2HB GLU 16 HB1 GLU 16 50.682 4.979 3.744 112 1HG GLU 16 HG2 GLU 16 52.180 7.552 3.339 113 2HG GLU 16 HG1 GLU 16 50.606 7.573 4.137 114 H GLU 17 HN GLU 17 50.769 4.073 0.531 115 HA GLU 17 HA GLU 17 50.756 1.421 1.660 116 1HB GLU 17 HB2 GLU 17 49.650 0.760 -0.417 117 2HB GLU 17 HB1 GLU 17 48.980 2.293 0.144 118 1HG GLU 17 HG2 GLU 17 49.562 3.267 -1.796 119 2HG GLU 17 HG1 GLU 17 51.252 2.867 -1.494 120 H MET 18 HN MET 18 52.990 3.116 -0.365 121 HA MET 18 HA MET 18 54.188 0.696 -1.500 122 1HB MET 18 HB2 MET 18 54.185 3.075 -2.526 123 2HB MET 18 HB1 MET 18 55.499 3.411 -1.395 124 1HG MET 18 HG2 MET 18 56.945 2.414 -2.797 125 2HG MET 18 HG1 MET 18 56.057 0.901 -2.619 126 1HE MET 18 HE3 MET 18 57.777 1.946 -4.763 127 2HE MET 18 HE2 MET 18 56.988 0.610 -5.597 128 3HE MET 18 HE1 MET 18 57.024 2.205 -6.342 129 H ILE 19 HN ILE 19 55.359 3.202 0.783 130 HA ILE 19 HA ILE 19 57.689 1.779 1.586 131 HB ILE 19 HB ILE 19 56.003 3.854 3.007 132 1HG1 ILE 19 HG12 ILE 19 58.714 4.584 2.320 133 2HG1 ILE 19 HG11 ILE 19 57.885 3.955 0.896 134 1HG2 ILE 19 HG21 ILE 19 58.394 2.306 3.903 135 2HG2 ILE 19 HG23 ILE 19 58.342 4.026 4.286 136 3HG2 ILE 19 HG22 ILE 19 57.058 2.958 4.851 137 1HD1 ILE 19 HD12 ILE 19 56.323 5.821 2.596 138 2HD1 ILE 19 HD11 ILE 19 57.669 6.527 1.701 139 3HD1 ILE 19 HD13 ILE 19 56.385 5.682 0.838 140 H ALA 20 HN ALA 20 54.373 1.736 2.862 141 HA ALA 20 HA ALA 20 54.919 0.095 5.142 142 1HB ALA 20 HB3 ALA 20 52.446 0.629 3.500 143 2HB ALA 20 HB2 ALA 20 52.421 -0.538 4.823 144 3HB ALA 20 HB1 ALA 20 52.810 1.153 5.145 145 H GLU 21 HN GLU 21 54.681 -0.629 1.756 146 HA GLU 21 HA GLU 21 54.138 -3.473 2.109 147 1HB GLU 21 HB2 GLU 21 54.379 -1.617 -0.089 148 2HB GLU 21 HB1 GLU 21 55.370 -3.044 -0.399 149 1HG GLU 21 HG2 GLU 21 53.560 -4.398 -0.628 150 2HG GLU 21 HG1 GLU 21 52.716 -3.648 0.728 151 H PHE 22 HN PHE 22 57.037 -1.579 1.195 152 HA PHE 22 HA PHE 22 58.807 -3.839 1.188 153 1HB PHE 22 HB2 PHE 22 59.285 -0.867 1.504 154 2HB PHE 22 HB1 PHE 22 60.599 -2.043 1.454 155 HD1 PHE 22 HD1 PHE 22 60.545 -3.740 -0.555 156 HD2 PHE 22 HD2 PHE 22 58.464 0.018 -0.499 157 HE1 PHE 22 HE1 PHE 22 60.426 -3.768 -3.033 158 HE2 PHE 22 HE2 PHE 22 58.346 -0.011 -2.976 159 HZ PHE 22 HZ PHE 22 59.326 -1.903 -4.243 160 H LYS 23 HN LYS 23 57.569 -1.792 3.740 161 HA LYS 23 HA LYS 23 59.456 -2.100 5.768 162 1HB LYS 23 HB2 LYS 23 57.380 -0.813 6.059 163 2HB LYS 23 HB1 LYS 23 56.440 -2.306 6.026 164 1HG LYS 23 HG2 LYS 23 56.768 -1.676 8.342 165 2HG LYS 23 HG1 LYS 23 57.757 -3.100 8.015 166 1HD LYS 23 HD2 LYS 23 59.697 -1.551 7.567 167 2HD LYS 23 HD1 LYS 23 58.689 -0.220 8.139 168 1HE LYS 23 HE2 LYS 23 58.851 -2.613 9.899 169 2HE LYS 23 HE1 LYS 23 60.305 -1.621 9.781 170 1HZ LYS 23 HZ1 LYS 23 58.941 0.327 10.313 171 2HZ LYS 23 HZ3 LYS 23 57.584 -0.674 10.505 172 3HZ LYS 23 HZ2 LYS 23 58.909 -0.832 11.558 173 H ALA 24 HN ALA 24 57.458 -4.546 4.306 174 HA ALA 24 HA ALA 24 57.645 -6.484 6.439 175 1HB ALA 24 HB3 ALA 24 56.631 -6.387 3.706 176 2HB ALA 24 HB2 ALA 24 57.424 -7.922 4.058 177 3HB ALA 24 HB1 ALA 24 56.085 -7.369 5.066 178 H ALA 25 HN ALA 25 59.521 -5.961 3.447 179 HA ALA 25 HA ALA 25 61.311 -8.153 3.813 180 1HB ALA 25 HB1 ALA 25 61.475 -5.546 2.314 181 2HB ALA 25 HB3 ALA 25 62.879 -6.610 2.406 182 3HB ALA 25 HB2 ALA 25 61.382 -7.187 1.673 183 H PHE 26 HN PHE 26 61.385 -4.816 5.010 184 HA PHE 26 HA PHE 26 63.991 -4.659 6.002 185 1HB PHE 26 HB2 PHE 26 62.163 -2.888 6.133 186 2HB PHE 26 HB1 PHE 26 61.567 -3.733 7.561 187 HD1 PHE 26 HD1 PHE 26 64.975 -2.841 6.258 188 HD2 PHE 26 HD2 PHE 26 62.203 -2.678 9.534 189 HE1 PHE 26 HE1 PHE 26 66.686 -1.702 7.649 190 HE2 PHE 26 HE2 PHE 26 63.912 -1.538 10.923 191 HZ PHE 26 HZ PHE 26 66.154 -1.050 9.981 192 H ASP 27 HN ASP 27 61.254 -5.514 8.143 193 HA ASP 27 HA ASP 27 62.833 -6.657 10.182 194 1HB ASP 27 HB2 ASP 27 60.104 -7.737 9.490 195 2HB ASP 27 HB1 ASP 27 60.828 -7.511 11.083 196 H MET 28 HN MET 28 62.066 -7.899 7.056 197 HA MET 28 HA MET 28 62.226 -10.699 7.554 198 1HB MET 28 HB2 MET 28 61.920 -9.093 5.313 199 2HB MET 28 HB1 MET 28 63.487 -9.863 5.047 200 1HG MET 28 HG2 MET 28 60.997 -11.393 5.837 201 2HG MET 28 HG1 MET 28 61.512 -11.177 4.165 202 1HE MET 28 HE1 MET 28 63.947 -11.148 3.728 203 2HE MET 28 HE3 MET 28 65.116 -12.359 4.266 204 3HE MET 28 HE2 MET 28 63.845 -12.802 3.130 205 H PHE 29 HN PHE 29 64.822 -8.519 6.373 206 HA PHE 29 HA PHE 29 66.819 -10.545 7.182 207 1HB PHE 29 HB2 PHE 29 67.851 -7.967 6.224 208 2HB PHE 29 HB1 PHE 29 68.188 -9.595 5.642 209 HD1 PHE 29 HD1 PHE 29 66.577 -10.710 4.056 210 HD2 PHE 29 HD2 PHE 29 66.238 -6.572 5.154 211 HE1 PHE 29 HE1 PHE 29 65.088 -10.316 2.111 212 HE2 PHE 29 HE2 PHE 29 64.750 -6.177 3.209 213 HZ PHE 29 HZ PHE 29 64.175 -8.049 1.688 214 H ASP 30 HN ASP 30 65.131 -8.412 8.882 215 HA ASP 30 HA ASP 30 67.357 -7.108 10.314 216 1HB ASP 30 HB2 ASP 30 64.975 -6.126 9.829 217 2HB ASP 30 HB1 ASP 30 64.492 -7.079 11.233 218 H ALA 31 HN ALA 31 67.846 -9.715 10.577 219 HA ALA 31 HA ALA 31 66.466 -10.991 12.778 220 1HB ALA 31 HB1 ALA 31 69.096 -11.518 11.381 221 2HB ALA 31 HB3 ALA 31 68.547 -12.492 12.746 222 3HB ALA 31 HB2 ALA 31 67.596 -12.440 11.261 223 H ASP 32 HN ASP 32 68.769 -8.489 12.617 224 HA ASP 32 HA ASP 32 70.166 -9.048 15.096 225 1HB ASP 32 HB2 ASP 32 69.879 -6.621 13.331 226 2HB ASP 32 HB1 ASP 32 70.690 -6.511 14.893 227 H GLY 33 HN GLY 33 67.090 -7.684 14.290 228 1HA GLY 33 HA2 GLY 33 65.365 -6.888 15.667 229 2HA GLY 33 HA1 GLY 33 66.236 -7.603 17.023 230 H GLY 34 HN GLY 34 68.131 -5.434 15.205 231 1HA GLY 34 HA2 GLY 34 67.872 -3.419 17.384 232 2HA GLY 34 HA1 GLY 34 69.257 -3.575 16.302 233 H GLY 35 HN GLY 35 66.293 -3.890 14.671 234 1HA GLY 35 HA2 GLY 35 65.101 -2.441 13.257 235 2HA GLY 35 HA1 GLY 35 65.682 -1.103 14.250 236 H ASP 36 HN ASP 36 67.698 -3.458 12.538 237 HA ASP 36 HA ASP 36 68.318 -1.603 10.371 238 1HB ASP 36 HB2 ASP 36 70.832 -1.660 11.097 239 2HB ASP 36 HB1 ASP 36 69.753 -0.488 11.856 240 H ILE 37 HN ILE 37 69.236 -2.716 8.650 241 HA ILE 37 HA ILE 37 69.722 -5.621 9.117 242 HB ILE 37 HB ILE 37 68.099 -5.519 7.462 243 1HG1 ILE 37 HG12 ILE 37 70.709 -5.305 5.931 244 2HG1 ILE 37 HG11 ILE 37 69.958 -6.789 6.522 245 1HG2 ILE 37 HG23 ILE 37 69.479 -2.978 6.607 246 2HG2 ILE 37 HG22 ILE 37 68.282 -3.766 5.578 247 3HG2 ILE 37 HG21 ILE 37 67.823 -3.188 7.180 248 1HD1 ILE 37 HD13 ILE 37 68.588 -4.909 4.588 249 2HD1 ILE 37 HD12 ILE 37 69.562 -6.282 4.065 250 3HD1 ILE 37 HD11 ILE 37 68.105 -6.548 5.020 251 H SER 38 HN SER 38 71.439 -6.556 7.627 252 HA SER 38 HA SER 38 73.870 -4.891 7.882 253 1HB SER 38 HB2 SER 38 73.856 -7.672 6.749 254 2HB SER 38 HB1 SER 38 75.086 -6.876 7.727 255 HG SER 38 HG SER 38 73.480 -8.534 8.669 256 H THR 39 HN THR 39 74.949 -4.023 6.130 257 HA THR 39 HA THR 39 73.616 -3.666 3.648 258 HB THR 39 HB THR 39 76.188 -3.278 2.920 259 HG1 THR 39 HG1 THR 39 77.315 -2.625 4.793 260 1HG2 THR 39 HG23 THR 39 74.232 -1.636 3.232 261 2HG2 THR 39 HG22 THR 39 74.858 -1.389 4.863 262 3HG2 THR 39 HG21 THR 39 75.857 -0.993 3.464 263 H LYS 40 HN LYS 40 75.518 -6.305 4.844 264 HA LYS 40 HA LYS 40 76.163 -7.422 2.232 265 1HB LYS 40 HB2 LYS 40 76.985 -9.324 3.441 266 2HB LYS 40 HB1 LYS 40 77.405 -7.909 4.408 267 1HG LYS 40 HG2 LYS 40 75.425 -8.268 5.822 268 2HG LYS 40 HG1 LYS 40 74.966 -9.662 4.842 269 1HD LYS 40 HD2 LYS 40 76.164 -10.863 6.351 270 2HD LYS 40 HD1 LYS 40 77.572 -10.260 5.475 271 1HE LYS 40 HE2 LYS 40 77.324 -8.178 7.050 272 2HE LYS 40 HE1 LYS 40 76.398 -9.285 8.064 273 1HZ LYS 40 HZ1 LYS 40 78.638 -10.682 7.291 274 2HZ LYS 40 HZ3 LYS 40 79.208 -9.133 7.675 275 3HZ LYS 40 HZ2 LYS 40 78.329 -10.021 8.825 276 H ALA 41 HN ALA 41 73.570 -7.780 4.601 277 HA ALA 41 HA ALA 41 72.307 -10.043 3.330 278 1HB ALA 41 HB3 ALA 41 71.928 -9.094 5.718 279 2HB ALA 41 HB2 ALA 41 70.838 -7.950 4.934 280 3HB ALA 41 HB1 ALA 41 70.519 -9.682 4.836 281 H LEU 42 HN LEU 42 72.487 -6.692 2.589 282 HA LEU 42 HA LEU 42 70.024 -6.224 1.289 283 1HB LEU 42 HB2 LEU 42 72.719 -5.066 1.238 284 2HB LEU 42 HB1 LEU 42 71.858 -4.897 -0.294 285 HG LEU 42 HG LEU 42 70.013 -3.797 0.764 286 1HD1 LEU 42 HD12 LEU 42 71.308 -4.823 3.276 287 2HD1 LEU 42 HD11 LEU 42 70.268 -3.399 3.344 288 3HD1 LEU 42 HD13 LEU 42 69.621 -4.936 2.770 289 1HD2 LEU 42 HD22 LEU 42 72.042 -2.422 0.375 290 2HD2 LEU 42 HD21 LEU 42 71.102 -1.841 1.749 291 3HD2 LEU 42 HD23 LEU 42 72.573 -2.776 2.019 292 H GLY 43 HN GLY 43 72.997 -7.747 0.037 293 1HA GLY 43 HA2 GLY 43 72.317 -8.027 -2.657 294 2HA GLY 43 HA1 GLY 43 73.215 -9.257 -1.762 295 H THR 44 HN THR 44 71.216 -9.960 0.110 296 HA THR 44 HA THR 44 69.600 -11.739 -1.528 297 HB THR 44 HB THR 44 69.694 -11.192 1.450 298 HG1 THR 44 HG1 THR 44 70.667 -13.228 1.445 299 1HG2 THR 44 HG23 THR 44 67.725 -12.646 -0.184 300 2HG2 THR 44 HG22 THR 44 68.407 -13.600 1.133 301 3HG2 THR 44 HG21 THR 44 67.602 -12.070 1.479 302 H VAL 45 HN VAL 45 69.072 -8.694 0.190 303 HA VAL 45 HA VAL 45 66.224 -8.723 0.192 304 HB VAL 45 HB VAL 45 68.012 -6.302 -0.177 305 1HG1 VAL 45 HG11 VAL 45 65.181 -6.654 0.024 306 2HG1 VAL 45 HG13 VAL 45 65.741 -5.891 1.513 307 3HG1 VAL 45 HG12 VAL 45 66.087 -5.142 -0.047 308 1HG2 VAL 45 HG21 VAL 45 67.146 -7.783 2.325 309 2HG2 VAL 45 HG23 VAL 45 68.796 -7.585 1.736 310 3HG2 VAL 45 HG22 VAL 45 67.898 -6.187 2.330 311 H MET 46 HN MET 46 68.539 -7.677 -2.300 312 HA MET 46 HA MET 46 66.656 -6.595 -4.132 313 1HB MET 46 HB2 MET 46 69.274 -8.036 -4.665 314 2HB MET 46 HB1 MET 46 68.381 -7.104 -5.869 315 1HG MET 46 HG2 MET 46 69.227 -5.904 -3.228 316 2HG MET 46 HG1 MET 46 70.274 -5.874 -4.647 317 1HE MET 46 HE1 MET 46 69.836 -3.411 -3.417 318 2HE MET 46 HE3 MET 46 70.379 -3.238 -5.093 319 3HE MET 46 HE2 MET 46 69.054 -2.249 -4.485 320 H ARG 47 HN ARG 47 68.251 -9.771 -4.560 321 HA ARG 47 HA ARG 47 66.460 -10.822 -6.428 322 1HB ARG 47 HB2 ARG 47 68.641 -11.800 -5.112 323 2HB ARG 47 HB1 ARG 47 67.354 -12.755 -4.377 324 1HG ARG 47 HG2 ARG 47 66.685 -13.674 -6.442 325 2HG ARG 47 HG1 ARG 47 67.500 -12.413 -7.367 326 1HD ARG 47 HD2 ARG 47 69.213 -13.872 -7.583 327 2HD ARG 47 HD1 ARG 47 69.555 -13.547 -5.884 328 HE ARG 47 HE ARG 47 67.652 -15.726 -6.602 329 1HH1 ARG 47 HH11 ARG 47 69.064 -14.772 -3.905 330 2HH1 ARG 47 HH12 ARG 47 70.084 -16.147 -3.646 331 1HH2 ARG 47 HH21 ARG 47 69.622 -17.425 -6.837 332 2HH2 ARG 47 HH22 ARG 47 70.400 -17.650 -5.306 333 H MET 48 HN MET 48 65.948 -10.267 -3.041 334 HA MET 48 HA MET 48 63.755 -12.127 -2.708 335 1HB MET 48 HB2 MET 48 65.145 -10.163 -1.105 336 2HB MET 48 HB1 MET 48 63.401 -9.976 -0.915 337 1HG MET 48 HG2 MET 48 64.658 -12.709 -0.804 338 2HG MET 48 HG1 MET 48 64.643 -11.675 0.623 339 1HE MET 48 HE2 MET 48 62.911 -10.454 1.383 340 2HE MET 48 HE1 MET 48 61.176 -10.714 1.220 341 3HE MET 48 HE3 MET 48 62.130 -11.737 2.303 342 H LEU 49 HN LEU 49 63.499 -8.574 -2.491 343 HA LEU 49 HA LEU 49 60.799 -8.306 -3.014 344 1HB LEU 49 HB2 LEU 49 62.752 -6.451 -4.372 345 2HB LEU 49 HB1 LEU 49 61.203 -6.063 -3.624 346 HG LEU 49 HG LEU 49 63.809 -6.755 -2.261 347 1HD1 LEU 49 HD13 LEU 49 62.256 -4.362 -2.772 348 2HD1 LEU 49 HD12 LEU 49 62.467 -4.609 -1.038 349 3HD1 LEU 49 HD11 LEU 49 63.877 -4.512 -2.093 350 1HD2 LEU 49 HD21 LEU 49 61.044 -7.274 -1.392 351 2HD2 LEU 49 HD23 LEU 49 62.560 -7.901 -0.745 352 3HD2 LEU 49 HD22 LEU 49 61.977 -6.314 -0.244 353 H GLY 50 HN GLY 50 63.378 -8.623 -5.458 354 1HA GLY 50 HA2 GLY 50 62.268 -10.223 -7.313 355 2HA GLY 50 HA1 GLY 50 61.352 -8.743 -7.605 356 H GLN 51 HN GLN 51 62.747 -6.735 -7.946 357 HA GLN 51 HA GLN 51 64.377 -6.922 -10.170 358 1HB GLN 51 HB2 GLN 51 65.490 -4.790 -9.324 359 2HB GLN 51 HB1 GLN 51 63.728 -4.746 -9.407 360 1HG GLN 51 HG2 GLN 51 64.770 -5.775 -6.854 361 2HG GLN 51 HG1 GLN 51 65.208 -4.097 -7.178 362 1HE2 GLN 51 HE22 GLN 51 61.811 -2.930 -7.081 363 2HE2 GLN 51 HE21 GLN 51 63.339 -2.602 -7.746 364 H ASN 52 HN ASN 52 66.585 -7.263 -10.558 365 HA ASN 52 HA ASN 52 68.283 -7.979 -8.216 366 1HB ASN 52 HB2 ASN 52 67.388 -10.094 -9.082 367 2HB ASN 52 HB1 ASN 52 67.923 -9.672 -10.709 368 1HD2 ASN 52 HD22 ASN 52 70.649 -11.001 -7.965 369 2HD2 ASN 52 HD21 ASN 52 69.071 -10.607 -7.477 370 HA PRO 53 HA PRO 53 70.597 -5.251 -11.026 371 1HB PRO 53 HB2 PRO 53 71.905 -3.957 -8.981 372 2HB PRO 53 HB1 PRO 53 70.303 -3.484 -9.576 373 1HG PRO 53 HG2 PRO 53 71.025 -4.916 -7.059 374 2HG PRO 53 HG1 PRO 53 69.625 -3.884 -7.402 375 1HD PRO 53 HD2 PRO 53 69.614 -6.710 -7.338 376 2HD PRO 53 HD1 PRO 53 68.337 -5.679 -8.019 377 H THR 54 HN THR 54 73.063 -4.933 -11.129 378 HA THR 54 HA THR 54 74.366 -7.506 -10.766 379 HB THR 54 HB THR 54 76.390 -6.237 -11.618 380 HG1 THR 54 HG1 THR 54 74.551 -4.158 -12.089 381 1HG2 THR 54 HG22 THR 54 74.631 -7.404 -13.052 382 2HG2 THR 54 HG21 THR 54 73.926 -5.807 -13.315 383 3HG2 THR 54 HG23 THR 54 75.571 -6.146 -13.857 384 H LYS 55 HN LYS 55 76.033 -8.011 -9.300 385 HA LYS 55 HA LYS 55 75.904 -6.958 -6.695 386 1HB LYS 55 HB2 LYS 55 77.215 -9.046 -7.835 387 2HB LYS 55 HB1 LYS 55 78.565 -7.944 -7.558 388 1HG LYS 55 HG2 LYS 55 78.172 -7.864 -5.225 389 2HG LYS 55 HG1 LYS 55 76.548 -8.534 -5.391 390 1HD LYS 55 HD2 LYS 55 77.621 -10.464 -4.762 391 2HD LYS 55 HD1 LYS 55 77.955 -10.551 -6.493 392 1HE LYS 55 HE2 LYS 55 80.169 -10.269 -6.164 393 2HE LYS 55 HE1 LYS 55 79.899 -8.875 -5.117 394 1HZ LYS 55 HZ2 LYS 55 79.543 -11.685 -4.236 395 2HZ LYS 55 HZ1 LYS 55 80.980 -10.805 -4.013 396 3HZ LYS 55 HZ3 LYS 55 79.547 -10.292 -3.264 397 H GLU 56 HN GLU 56 77.694 -5.819 -9.482 398 HA GLU 56 HA GLU 56 79.536 -4.116 -8.079 399 1HB GLU 56 HB2 GLU 56 78.392 -3.685 -10.853 400 2HB GLU 56 HB1 GLU 56 79.921 -3.067 -10.226 401 1HG GLU 56 HG2 GLU 56 80.706 -5.417 -9.926 402 2HG GLU 56 HG1 GLU 56 79.208 -5.982 -10.666 403 H GLU 57 HN GLU 57 76.464 -3.339 -9.754 404 HA GLU 57 HA GLU 57 76.344 -0.625 -8.928 405 1HB GLU 57 HB2 GLU 57 74.178 -2.623 -9.617 406 2HB GLU 57 HB1 GLU 57 73.829 -0.931 -9.264 407 1HG GLU 57 HG2 GLU 57 75.994 -1.481 -11.238 408 2HG GLU 57 HG1 GLU 57 74.336 -1.788 -11.758 409 H LEU 58 HN LEU 58 75.912 -3.525 -7.123 410 HA LEU 58 HA LEU 58 74.164 -2.463 -5.078 411 1HB LEU 58 HB2 LEU 58 74.390 -4.873 -5.350 412 2HB LEU 58 HB1 LEU 58 76.121 -4.778 -5.027 413 HG LEU 58 HG LEU 58 74.542 -3.500 -2.930 414 1HD1 LEU 58 HD11 LEU 58 73.610 -6.045 -3.971 415 2HD1 LEU 58 HD13 LEU 58 74.166 -6.213 -2.306 416 3HD1 LEU 58 HD12 LEU 58 72.911 -5.039 -2.703 417 1HD2 LEU 58 HD21 LEU 58 76.977 -4.949 -3.297 418 2HD2 LEU 58 HD23 LEU 58 76.432 -4.092 -1.856 419 3HD2 LEU 58 HD22 LEU 58 76.028 -5.793 -2.073 420 H ASP 59 HN ASP 59 77.709 -2.959 -5.211 421 HA ASP 59 HA ASP 59 78.291 -1.859 -2.662 422 1HB ASP 59 HB2 ASP 59 79.766 -2.742 -4.931 423 2HB ASP 59 HB1 ASP 59 80.360 -1.135 -4.513 424 H ALA 60 HN ALA 60 78.277 -0.232 -5.856 425 HA ALA 60 HA ALA 60 78.892 2.368 -4.918 426 1HB ALA 60 HB2 ALA 60 78.819 1.753 -7.319 427 2HB ALA 60 HB1 ALA 60 77.064 1.609 -7.220 428 3HB ALA 60 HB3 ALA 60 77.834 3.178 -6.988 429 H ILE 61 HN ILE 61 75.959 0.512 -4.714 430 HA ILE 61 HA ILE 61 74.197 2.752 -4.167 431 HB ILE 61 HB ILE 61 74.015 -0.241 -3.886 432 1HG1 ILE 61 HG12 ILE 61 72.177 1.708 -5.284 433 2HG1 ILE 61 HG11 ILE 61 73.635 1.076 -6.052 434 1HG2 ILE 61 HG23 ILE 61 71.969 1.768 -2.895 435 2HG2 ILE 61 HG22 ILE 61 71.712 0.028 -3.022 436 3HG2 ILE 61 HG21 ILE 61 72.903 0.661 -1.885 437 1HD1 ILE 61 HD12 ILE 61 71.744 -0.863 -4.779 438 2HD1 ILE 61 HD11 ILE 61 71.309 -0.167 -6.341 439 3HD1 ILE 61 HD13 ILE 61 72.806 -1.083 -6.169 440 H ILE 62 HN ILE 62 75.607 0.215 -2.064 441 HA ILE 62 HA ILE 62 74.759 1.272 0.409 442 HB ILE 62 HB ILE 62 77.273 -0.249 -0.326 443 1HG1 ILE 62 HG12 ILE 62 74.697 -1.105 1.031 444 2HG1 ILE 62 HG11 ILE 62 75.083 -1.392 -0.666 445 1HG2 ILE 62 HG22 ILE 62 76.160 0.546 2.374 446 2HG2 ILE 62 HG21 ILE 62 77.315 -0.771 2.161 447 3HG2 ILE 62 HG23 ILE 62 77.770 0.878 1.733 448 1HD1 ILE 62 HD11 ILE 62 76.952 -2.295 1.521 449 2HD1 ILE 62 HD13 ILE 62 75.585 -3.293 1.026 450 3HD1 ILE 62 HD12 ILE 62 76.840 -2.876 -0.140 451 H GLU 63 HN GLU 63 77.382 2.269 -1.697 452 HA GLU 63 HA GLU 63 78.789 3.886 0.217 453 1HB GLU 63 HB2 GLU 63 79.034 3.233 -2.539 454 2HB GLU 63 HB1 GLU 63 79.000 4.992 -2.424 455 1HG GLU 63 HG2 GLU 63 80.657 4.502 -0.378 456 2HG GLU 63 HG1 GLU 63 80.996 3.060 -1.337 457 H GLU 64 HN GLU 64 76.056 4.533 -1.944 458 HA GLU 64 HA GLU 64 76.018 7.359 -1.035 459 1HB GLU 64 HB2 GLU 64 75.181 5.961 -3.419 460 2HB GLU 64 HB1 GLU 64 73.821 6.855 -2.737 461 1HG GLU 64 HG2 GLU 64 76.536 8.133 -3.046 462 2HG GLU 64 HG1 GLU 64 75.373 8.122 -4.372 463 H VAL 65 HN VAL 65 74.722 4.409 -0.076 464 HA VAL 65 HA VAL 65 72.148 5.552 0.827 465 HB VAL 65 HB VAL 65 73.303 2.786 1.294 466 1HG1 VAL 65 HG12 VAL 65 71.216 4.028 2.583 467 2HG1 VAL 65 HG11 VAL 65 70.389 3.227 1.245 468 3HG1 VAL 65 HG13 VAL 65 71.366 2.282 2.372 469 1HG2 VAL 65 HG21 VAL 65 72.662 3.806 -1.138 470 2HG2 VAL 65 HG23 VAL 65 72.415 2.113 -0.710 471 3HG2 VAL 65 HG22 VAL 65 71.072 3.253 -0.612 472 H ASP 66 HN ASP 66 75.333 4.907 2.043 473 HA ASP 66 HA ASP 66 74.438 5.150 4.857 474 1HB ASP 66 HB2 ASP 66 76.530 3.781 3.641 475 2HB ASP 66 HB1 ASP 66 77.327 5.169 4.383 476 H GLU 67 HN GLU 67 73.658 7.415 4.334 477 HA GLU 67 HA GLU 67 75.527 9.500 3.677 478 1HB GLU 67 HB2 GLU 67 73.732 10.999 4.691 479 2HB GLU 67 HB1 GLU 67 73.194 9.957 3.373 480 1HG GLU 67 HG2 GLU 67 72.986 8.553 5.892 481 2HG GLU 67 HG1 GLU 67 72.120 10.088 5.979 482 H ASP 68 HN ASP 68 74.928 7.735 6.570 483 HA ASP 68 HA ASP 68 76.301 9.820 8.201 484 1HB ASP 68 HB2 ASP 68 75.645 8.064 10.070 485 2HB ASP 68 HB1 ASP 68 74.438 9.181 9.435 486 H GLY 69 HN GLY 69 76.548 6.456 7.128 487 1HA GLY 69 HA2 GLY 69 78.632 5.322 6.764 488 2HA GLY 69 HA1 GLY 69 79.440 6.544 7.746 489 H SER 70 HN SER 70 76.508 4.938 8.817 490 HA SER 70 HA SER 70 77.838 4.059 11.253 491 1HB SER 70 HB2 SER 70 75.631 3.109 11.827 492 2HB SER 70 HB1 SER 70 75.476 4.770 11.266 493 HG SER 70 HG SER 70 73.960 3.381 10.266 494 H GLY 71 HN GLY 71 77.904 2.832 8.188 495 1HA GLY 71 HA2 GLY 71 78.644 0.758 7.369 496 2HA GLY 71 HA1 GLY 71 78.987 0.299 9.038 497 H THR 72 HN THR 72 75.796 1.402 8.510 498 HA THR 72 HA THR 72 74.761 -1.332 8.009 499 HB THR 72 HB THR 72 73.107 -0.396 10.045 500 HG1 THR 72 HG1 THR 72 74.353 0.473 11.544 501 1HG2 THR 72 HG21 THR 72 75.350 -2.399 9.894 502 2HG2 THR 72 HG23 THR 72 74.464 -2.158 11.399 503 3HG2 THR 72 HG22 THR 72 73.610 -2.687 9.949 504 H ILE 73 HN ILE 73 72.317 -1.230 7.691 505 HA ILE 73 HA ILE 73 71.578 1.414 6.498 506 HB ILE 73 HB ILE 73 70.688 -1.357 5.641 507 1HG1 ILE 73 HG12 ILE 73 73.098 -0.711 5.147 508 2HG1 ILE 73 HG11 ILE 73 72.115 -1.065 3.726 509 1HG2 ILE 73 HG21 ILE 73 69.555 1.230 5.223 510 2HG2 ILE 73 HG23 ILE 73 70.245 0.690 3.692 511 3HG2 ILE 73 HG22 ILE 73 69.047 -0.308 4.521 512 1HD1 ILE 73 HD13 ILE 73 71.768 1.697 4.311 513 2HD1 ILE 73 HD12 ILE 73 73.499 1.366 4.377 514 3HD1 ILE 73 HD11 ILE 73 72.582 0.982 2.920 515 H ASP 74 HN ASP 74 69.582 2.255 7.063 516 HA ASP 74 HA ASP 74 67.993 0.654 9.028 517 1HB ASP 74 HB2 ASP 74 69.117 3.215 9.292 518 2HB ASP 74 HB1 ASP 74 67.396 3.497 9.025 519 H PHE 75 HN PHE 75 65.594 1.209 8.966 520 HA PHE 75 HA PHE 75 64.487 0.726 6.430 521 1HB PHE 75 HB2 PHE 75 63.372 0.595 8.755 522 2HB PHE 75 HB1 PHE 75 63.028 2.311 8.542 523 HD1 PHE 75 HD2 PHE 75 63.061 -0.576 6.162 524 HD2 PHE 75 HD1 PHE 75 60.779 2.582 7.963 525 HE1 PHE 75 HE2 PHE 75 61.130 -1.144 4.709 526 HE2 PHE 75 HE1 PHE 75 58.848 2.018 6.512 527 HZ PHE 75 HZ PHE 75 59.023 0.153 4.885 528 H GLU 76 HN GLU 76 65.404 3.779 7.912 529 HA GLU 76 HA GLU 76 63.967 5.439 6.018 530 1HB GLU 76 HB2 GLU 76 65.287 7.278 6.963 531 2HB GLU 76 HB1 GLU 76 64.664 6.253 8.254 532 1HG GLU 76 HG2 GLU 76 67.025 5.007 7.753 533 2HG GLU 76 HG1 GLU 76 67.458 6.670 7.359 534 H GLU 77 HN GLU 77 67.186 4.004 6.114 535 HA GLU 77 HA GLU 77 68.057 5.538 3.757 536 1HB GLU 77 HB2 GLU 77 69.488 3.183 4.993 537 2HB GLU 77 HB1 GLU 77 70.178 4.519 4.071 538 1HG GLU 77 HG2 GLU 77 69.808 6.069 5.844 539 2HG GLU 77 HG1 GLU 77 68.746 4.948 6.698 540 H PHE 78 HN PHE 78 66.500 2.518 4.415 541 HA PHE 78 HA PHE 78 67.362 1.105 2.062 542 1HB PHE 78 HB2 PHE 78 66.409 -0.383 3.537 543 2HB PHE 78 HB1 PHE 78 65.243 0.794 4.134 544 HD1 PHE 78 HD2 PHE 78 63.288 1.427 2.649 545 HD2 PHE 78 HD1 PHE 78 65.803 -1.963 1.875 546 HE1 PHE 78 HE2 PHE 78 61.534 0.463 1.176 547 HE2 PHE 78 HE1 PHE 78 64.055 -2.930 0.401 548 HZ PHE 78 HZ PHE 78 61.919 -1.715 0.052 549 H LEU 79 HN LEU 79 64.557 3.181 2.786 550 HA LEU 79 HA LEU 79 63.170 2.914 0.350 551 1HB LEU 79 HB2 LEU 79 63.539 5.442 1.991 552 2HB LEU 79 HB1 LEU 79 62.260 5.157 0.810 553 HG LEU 79 HG LEU 79 62.698 3.322 3.169 554 1HD1 LEU 79 HD13 LEU 79 61.292 5.957 2.996 555 2HD1 LEU 79 HD12 LEU 79 60.543 4.676 3.949 556 3HD1 LEU 79 HD11 LEU 79 62.164 5.242 4.350 557 1HD2 LEU 79 HD21 LEU 79 60.478 3.823 1.177 558 2HD2 LEU 79 HD23 LEU 79 61.351 2.320 1.474 559 3HD2 LEU 79 HD22 LEU 79 60.211 2.929 2.674 560 H VAL 80 HN VAL 80 66.087 4.726 1.109 561 HA VAL 80 HA VAL 80 66.162 6.243 -1.350 562 HB VAL 80 HB VAL 80 68.526 5.397 0.347 563 1HG1 VAL 80 HG12 VAL 80 67.995 7.417 -1.781 564 2HG1 VAL 80 HG11 VAL 80 69.055 7.901 -0.457 565 3HG1 VAL 80 HG13 VAL 80 69.461 6.496 -1.445 566 1HG2 VAL 80 HG22 VAL 80 66.235 6.929 1.114 567 2HG2 VAL 80 HG21 VAL 80 67.708 6.631 2.040 568 3HG2 VAL 80 HG23 VAL 80 67.604 8.031 0.971 569 H MET 81 HN MET 81 67.393 3.093 -0.332 570 HA MET 81 HA MET 81 69.088 2.522 -2.514 571 1HB MET 81 HB2 MET 81 68.262 1.156 -0.292 572 2HB MET 81 HB1 MET 81 67.448 0.257 -1.574 573 1HG MET 81 HG2 MET 81 69.427 -0.431 -2.541 574 2HG MET 81 HG1 MET 81 70.305 0.998 -1.999 575 1HE MET 81 HE3 MET 81 69.990 1.603 0.413 576 2HE MET 81 HE2 MET 81 70.248 0.525 1.783 577 3HE MET 81 HE1 MET 81 71.607 0.968 0.753 578 H MET 82 HN MET 82 65.613 1.711 -2.163 579 HA MET 82 HA MET 82 65.246 0.533 -4.696 580 1HB MET 82 HB2 MET 82 63.513 1.832 -2.679 581 2HB MET 82 HB1 MET 82 62.858 1.782 -4.316 582 1HG MET 82 HG2 MET 82 62.198 -0.234 -3.108 583 2HG MET 82 HG1 MET 82 63.321 -0.656 -4.399 584 1HE MET 82 HE3 MET 82 65.066 -1.573 -4.415 585 2HE MET 82 HE2 MET 82 66.427 -1.174 -3.371 586 3HE MET 82 HE1 MET 82 65.587 -2.709 -3.164 587 H VAL 83 HN VAL 83 64.041 3.807 -3.972 588 HA VAL 83 HA VAL 83 63.806 4.647 -6.641 589 HB VAL 83 HB VAL 83 64.592 6.457 -4.346 590 1HG1 VAL 83 HG12 VAL 83 64.111 6.977 -7.032 591 2HG1 VAL 83 HG11 VAL 83 62.560 7.323 -6.267 592 3HG1 VAL 83 HG13 VAL 83 64.016 8.157 -5.725 593 1HG2 VAL 83 HG23 VAL 83 62.011 5.057 -5.005 594 2HG2 VAL 83 HG22 VAL 83 62.777 5.285 -3.433 595 3HG2 VAL 83 HG21 VAL 83 61.979 6.641 -4.231 596 H ARG 84 HN ARG 84 66.690 4.166 -4.803 597 HA ARG 84 HA ARG 84 68.440 6.034 -6.026 598 1HB ARG 84 HB2 ARG 84 68.690 3.749 -4.342 599 2HB ARG 84 HB1 ARG 84 69.809 3.538 -5.688 600 1HG ARG 84 HG2 ARG 84 70.307 6.116 -5.174 601 2HG ARG 84 HG1 ARG 84 69.772 5.632 -3.564 602 1HD ARG 84 HD2 ARG 84 71.709 4.552 -3.177 603 2HD ARG 84 HD1 ARG 84 71.558 3.644 -4.682 604 HE ARG 84 HE ARG 84 73.115 6.103 -4.300 605 1HH1 ARG 84 HH21 ARG 84 72.857 3.337 -6.088 606 2HH1 ARG 84 HH22 ARG 84 73.210 4.055 -7.624 607 1HH2 ARG 84 HH11 ARG 84 73.005 7.310 -6.446 608 2HH2 ARG 84 HH12 ARG 84 73.294 6.306 -7.827 609 H GLN 85 HN GLN 85 67.658 2.687 -7.036 610 HA GLN 85 HA GLN 85 69.084 3.124 -9.584 611 1HB GLN 85 HB2 GLN 85 67.461 0.711 -8.732 612 2HB GLN 85 HB1 GLN 85 68.670 0.787 -10.013 613 1HG GLN 85 HG2 GLN 85 69.849 1.735 -7.573 614 2HG GLN 85 HG1 GLN 85 69.084 0.175 -7.268 615 1HE2 GLN 85 HE22 GLN 85 71.253 -1.609 -9.515 616 2HE2 GLN 85 HE21 GLN 85 69.699 -1.631 -8.830 617 H MET 86 HN MET 86 65.850 3.232 -8.325 618 HA MET 86 HA MET 86 64.545 2.927 -10.920 619 1HB MET 86 HB2 MET 86 63.385 4.122 -8.389 620 2HB MET 86 HB1 MET 86 62.501 3.416 -9.742 621 1HG MET 86 HG2 MET 86 64.482 1.567 -8.663 622 2HG MET 86 HG1 MET 86 63.320 2.073 -7.437 623 1HE MET 86 HE1 MET 86 61.076 2.811 -8.427 624 2HE MET 86 HE3 MET 86 60.059 1.813 -9.472 625 3HE MET 86 HE2 MET 86 60.368 1.320 -7.808 626 H LYS 87 HN LYS 87 66.359 5.382 -9.566 627 HA LYS 87 HA LYS 87 65.166 7.339 -11.456 628 1HB LYS 87 HB2 LYS 87 65.464 7.677 -8.483 629 2HB LYS 87 HB1 LYS 87 65.618 9.082 -9.541 630 1HG LYS 87 HG2 LYS 87 63.357 7.699 -10.477 631 2HG LYS 87 HG1 LYS 87 63.222 7.674 -8.718 632 1HD LYS 87 HD2 LYS 87 63.734 10.168 -8.765 633 2HD LYS 87 HD1 LYS 87 63.518 10.092 -10.513 634 1HE LYS 87 HE2 LYS 87 61.236 9.407 -10.297 635 2HE LYS 87 HE1 LYS 87 61.424 9.093 -8.572 636 1HZ LYS 87 HZ3 LYS 87 62.038 11.560 -8.447 637 2HZ LYS 87 HZ2 LYS 87 61.312 11.684 -9.979 638 3HZ LYS 87 HZ1 LYS 87 60.403 11.155 -8.644 639 H GLU 88 HN GLU 88 67.175 6.678 -12.609 640 HA GLU 88 HA GLU 88 69.407 8.443 -11.833 641 1HB GLU 88 HB2 GLU 88 69.552 5.869 -10.958 642 2HB GLU 88 HB1 GLU 88 70.288 5.706 -12.552 643 1HG GLU 88 HG2 GLU 88 71.763 7.678 -11.972 644 2HG GLU 88 HG1 GLU 88 71.138 7.575 -10.326 645 H ASP 89 HN ASP 89 70.922 8.749 -13.629 646 HA ASP 89 HA ASP 89 69.564 8.551 -16.220 647 1HB ASP 89 HB2 ASP 89 71.977 9.919 -15.140 648 2HB ASP 89 HB1 ASP 89 71.991 9.532 -16.861 649 H ALA 90 HN ALA 90 69.565 6.440 -16.967 650 HA ALA 90 HA ALA 90 71.880 5.363 -18.184 651 1HB ALA 90 HB2 ALA 90 71.856 4.950 -15.371 652 2HB ALA 90 HB1 ALA 90 71.504 3.395 -16.127 653 3HB ALA 90 HB3 ALA 90 72.975 4.269 -16.552 No H/Q in entry = 653 Start of MODEL 36 1 1H ALA 1 HT1 ALA 1 60.867 12.320 12.727 2 2H ALA 1 HT3 ALA 1 60.601 11.012 11.679 3 3H ALA 1 HT2 ALA 1 60.280 10.847 13.338 4 HA ALA 1 HA ALA 1 62.557 10.930 13.903 5 1HB ALA 1 HB2 ALA 1 61.519 9.037 11.959 6 2HB ALA 1 HB1 ALA 1 63.265 9.223 11.791 7 3HB ALA 1 HB3 ALA 1 62.573 8.745 13.343 8 H SER 2 HN SER 2 64.734 10.341 12.236 9 HA SER 2 HA SER 2 65.237 13.021 11.099 10 1HB SER 2 HB2 SER 2 66.841 10.888 12.247 11 2HB SER 2 HB1 SER 2 67.502 11.412 10.701 12 HG SER 2 HG SER 2 68.076 12.597 12.756 13 H MET 3 HN MET 3 66.519 13.018 8.949 14 HA MET 3 HA MET 3 66.332 10.876 7.093 15 1HB MET 3 HB2 MET 3 64.438 12.060 5.692 16 2HB MET 3 HB1 MET 3 64.004 10.943 6.986 17 1HG MET 3 HG2 MET 3 63.609 12.759 8.522 18 2HG MET 3 HG1 MET 3 64.276 13.934 7.387 19 1HE MET 3 HE2 MET 3 63.269 15.033 5.707 20 2HE MET 3 HE1 MET 3 61.531 15.174 5.461 21 3HE MET 3 HE3 MET 3 62.243 15.592 7.026 22 H THR 4 HN THR 4 67.635 11.413 5.385 23 HA THR 4 HA THR 4 68.696 14.147 5.267 24 HB THR 4 HB THR 4 69.900 12.957 3.193 25 HG1 THR 4 HG1 THR 4 69.670 10.871 3.185 26 1HG2 THR 4 HG21 THR 4 70.394 12.695 6.147 27 2HG2 THR 4 HG23 THR 4 71.492 11.942 4.990 28 3HG2 THR 4 HG22 THR 4 71.247 13.688 4.966 29 H ASP 5 HN ASP 5 68.977 15.045 2.903 30 HA ASP 5 HA ASP 5 66.405 15.694 1.887 31 1HB ASP 5 HB2 ASP 5 69.005 15.730 0.330 32 2HB ASP 5 HB1 ASP 5 67.566 16.699 0.014 33 H GLN 6 HN GLN 6 68.805 13.324 0.703 34 HA GLN 6 HA GLN 6 67.361 12.413 -1.551 35 1HB GLN 6 HB2 GLN 6 68.602 10.247 -1.190 36 2HB GLN 6 HB1 GLN 6 69.639 11.673 -1.193 37 1HG GLN 6 HG2 GLN 6 69.832 11.664 1.181 38 2HG GLN 6 HG1 GLN 6 68.502 10.519 1.360 39 1HE2 GLN 6 HE22 GLN 6 71.154 8.142 1.680 40 2HE2 GLN 6 HE21 GLN 6 70.034 9.075 2.549 41 H GLN 7 HN GLN 7 66.980 11.691 1.871 42 HA GLN 7 HA GLN 7 65.079 9.522 1.421 43 1HB GLN 7 HB2 GLN 7 66.129 11.015 3.798 44 2HB GLN 7 HB1 GLN 7 64.623 10.112 3.971 45 1HG GLN 7 HG2 GLN 7 65.802 8.102 3.019 46 2HG GLN 7 HG1 GLN 7 67.305 9.022 3.077 47 1HE2 GLN 7 HE22 GLN 7 67.651 8.751 6.606 48 2HE2 GLN 7 HE21 GLN 7 68.197 9.543 5.206 49 H ALA 8 HN ALA 8 64.931 13.000 1.807 50 HA ALA 8 HA ALA 8 62.139 13.179 2.482 51 1HB ALA 8 HB3 ALA 8 63.797 15.051 2.716 52 2HB ALA 8 HB2 ALA 8 63.807 15.200 0.960 53 3HB ALA 8 HB1 ALA 8 62.327 15.518 1.864 54 H GLU 9 HN GLU 9 63.887 13.170 -0.617 55 HA GLU 9 HA GLU 9 61.401 13.447 -2.144 56 1HB GLU 9 HB2 GLU 9 63.580 14.353 -2.967 57 2HB GLU 9 HB1 GLU 9 64.179 12.700 -3.106 58 1HG GLU 9 HG2 GLU 9 63.403 13.127 -5.276 59 2HG GLU 9 HG1 GLU 9 62.022 12.313 -4.540 60 H ALA 10 HN ALA 10 63.343 10.869 -0.866 61 HA ALA 10 HA ALA 10 62.480 8.790 -2.664 62 1HB ALA 10 HB2 ALA 10 63.752 8.897 0.043 63 2HB ALA 10 HB1 ALA 10 63.029 7.374 -0.476 64 3HB ALA 10 HB3 ALA 10 64.318 8.108 -1.430 65 H ARG 11 HN ARG 11 61.440 9.504 0.695 66 HA ARG 11 HA ARG 11 59.173 7.745 0.576 67 1HB ARG 11 HB2 ARG 11 60.349 9.583 2.476 68 2HB ARG 11 HB1 ARG 11 58.597 9.789 2.435 69 1HG ARG 11 HG2 ARG 11 58.196 7.701 3.276 70 2HG ARG 11 HG1 ARG 11 59.562 6.985 2.421 71 1HD ARG 11 HD2 ARG 11 61.007 7.370 4.140 72 2HD ARG 11 HD1 ARG 11 60.287 8.933 4.526 73 HE ARG 11 HE ARG 11 58.477 6.821 5.246 74 1HH1 ARG 11 HH11 ARG 11 58.794 8.993 7.111 75 2HH1 ARG 11 HH12 ARG 11 59.803 8.342 8.360 76 1HH2 ARG 11 HH21 ARG 11 60.926 5.687 6.433 77 2HH2 ARG 11 HH22 ARG 11 61.010 6.470 7.975 78 H ALA 12 HN ALA 12 59.658 11.106 -0.332 79 HA ALA 12 HA ALA 12 56.870 11.806 -0.531 80 1HB ALA 12 HB2 ALA 12 59.308 12.937 -1.938 81 2HB ALA 12 HB1 ALA 12 57.703 13.669 -1.977 82 3HB ALA 12 HB3 ALA 12 58.580 13.545 -0.451 83 H PHE 13 HN PHE 13 59.157 10.241 -2.706 84 HA PHE 13 HA PHE 13 57.244 10.316 -4.947 85 1HB PHE 13 HB2 PHE 13 59.541 10.514 -5.591 86 2HB PHE 13 HB1 PHE 13 60.008 9.133 -4.600 87 HD1 PHE 13 HD2 PHE 13 59.314 6.827 -5.251 88 HD2 PHE 13 HD1 PHE 13 58.592 10.221 -7.784 89 HE1 PHE 13 HE2 PHE 13 58.902 5.309 -7.167 90 HE2 PHE 13 HE1 PHE 13 58.181 8.703 -9.701 91 HZ PHE 13 HZ PHE 13 58.335 6.246 -9.393 92 H LEU 14 HN LEU 14 58.033 8.266 -2.297 93 HA LEU 14 HA LEU 14 56.834 5.886 -3.591 94 1HB LEU 14 HB2 LEU 14 58.034 6.280 -0.832 95 2HB LEU 14 HB1 LEU 14 57.441 4.743 -1.464 96 HG LEU 14 HG LEU 14 59.622 6.400 -2.762 97 1HD1 LEU 14 HD12 LEU 14 59.863 5.007 -0.420 98 2HD1 LEU 14 HD11 LEU 14 60.249 3.757 -1.602 99 3HD1 LEU 14 HD13 LEU 14 61.182 5.254 -1.564 100 1HD2 LEU 14 HD23 LEU 14 58.018 4.121 -3.591 101 2HD2 LEU 14 HD22 LEU 14 59.177 5.065 -4.528 102 3HD2 LEU 14 HD21 LEU 14 59.731 3.705 -3.552 103 H SER 15 HN SER 15 54.724 5.335 -3.273 104 HA SER 15 HA SER 15 52.971 7.082 -1.770 105 1HB SER 15 HB2 SER 15 52.354 4.302 -2.803 106 2HB SER 15 HB1 SER 15 51.201 5.584 -2.446 107 HG SER 15 HG SER 15 51.730 6.580 -4.256 108 H GLU 16 HN GLU 16 52.167 6.802 0.305 109 HA GLU 16 HA GLU 16 53.560 5.400 2.260 110 1HB GLU 16 HB2 GLU 16 51.570 5.599 3.672 111 2HB GLU 16 HB1 GLU 16 51.775 7.072 2.724 112 1HG GLU 16 HG2 GLU 16 49.547 6.694 2.287 113 2HG GLU 16 HG1 GLU 16 50.240 5.702 1.003 114 H GLU 17 HN GLU 17 51.155 4.167 0.028 115 HA GLU 17 HA GLU 17 50.661 1.683 1.409 116 1HB GLU 17 HB2 GLU 17 49.345 2.829 -0.548 117 2HB GLU 17 HB1 GLU 17 50.473 1.949 -1.578 118 1HG GLU 17 HG2 GLU 17 49.823 -0.096 -0.057 119 2HG GLU 17 HG1 GLU 17 48.393 0.872 0.300 120 H MET 18 HN MET 18 52.887 2.589 -1.234 121 HA MET 18 HA MET 18 53.975 -0.056 -1.553 122 1HB MET 18 HB2 MET 18 54.308 2.475 -2.777 123 2HB MET 18 HB1 MET 18 55.903 1.982 -2.212 124 1HG MET 18 HG2 MET 18 55.708 -0.151 -3.370 125 2HG MET 18 HG1 MET 18 54.052 0.227 -3.849 126 1HE MET 18 HE3 MET 18 56.264 -0.809 -5.290 127 2HE MET 18 HE2 MET 18 56.169 -0.038 -6.871 128 3HE MET 18 HE1 MET 18 57.564 0.259 -5.836 129 H ILE 19 HN ILE 19 55.107 2.799 0.268 130 HA ILE 19 HA ILE 19 57.526 1.767 1.242 131 HB ILE 19 HB ILE 19 55.498 3.600 2.536 132 1HG1 ILE 19 HG12 ILE 19 58.170 4.583 1.816 133 2HG1 ILE 19 HG11 ILE 19 57.261 3.972 0.434 134 1HG2 ILE 19 HG22 ILE 19 58.045 2.450 3.577 135 2HG2 ILE 19 HG21 ILE 19 57.757 4.164 3.870 136 3HG2 ILE 19 HG23 ILE 19 56.603 2.965 4.454 137 1HD1 ILE 19 HD12 ILE 19 55.562 5.552 2.177 138 2HD1 ILE 19 HD11 ILE 19 56.964 6.482 1.645 139 3HD1 ILE 19 HD13 ILE 19 55.885 5.754 0.455 140 H ALA 20 HN ALA 20 54.343 1.595 2.886 141 HA ALA 20 HA ALA 20 55.195 -0.117 4.990 142 1HB ALA 20 HB2 ALA 20 52.920 1.172 4.566 143 2HB ALA 20 HB1 ALA 20 52.427 -0.369 3.864 144 3HB ALA 20 HB3 ALA 20 52.945 -0.293 5.548 145 H GLU 21 HN GLU 21 54.502 -0.788 1.650 146 HA GLU 21 HA GLU 21 53.992 -3.619 1.967 147 1HB GLU 21 HB2 GLU 21 54.901 -1.974 -0.411 148 2HB GLU 21 HB1 GLU 21 54.515 -3.693 -0.502 149 1HG GLU 21 HG2 GLU 21 52.427 -2.198 0.872 150 2HG GLU 21 HG1 GLU 21 52.701 -1.583 -0.758 151 H PHE 22 HN PHE 22 56.901 -1.721 1.132 152 HA PHE 22 HA PHE 22 58.609 -4.041 0.903 153 1HB PHE 22 HB2 PHE 22 59.339 -1.152 1.483 154 2HB PHE 22 HB1 PHE 22 60.457 -2.412 0.962 155 HD1 PHE 22 HD1 PHE 22 58.490 -3.813 -0.949 156 HD2 PHE 22 HD2 PHE 22 59.599 0.305 -0.427 157 HE1 PHE 22 HE1 PHE 22 57.906 -3.356 -3.315 158 HE2 PHE 22 HE2 PHE 22 59.015 0.761 -2.793 159 HZ PHE 22 HZ PHE 22 58.169 -1.069 -4.238 160 H LYS 23 HN LYS 23 57.433 -2.162 3.576 161 HA LYS 23 HA LYS 23 59.377 -2.494 5.542 162 1HB LYS 23 HB2 LYS 23 56.728 -1.724 5.524 163 2HB LYS 23 HB1 LYS 23 56.687 -3.196 6.496 164 1HG LYS 23 HG2 LYS 23 58.873 -1.236 7.045 165 2HG LYS 23 HG1 LYS 23 57.247 -0.822 7.587 166 1HD LYS 23 HD2 LYS 23 57.138 -2.600 9.074 167 2HD LYS 23 HD1 LYS 23 58.287 -3.573 8.154 168 1HE LYS 23 HE2 LYS 23 60.105 -2.012 8.830 169 2HE LYS 23 HE1 LYS 23 58.944 -1.119 9.812 170 1HZ LYS 23 HZ3 LYS 23 58.872 -3.928 10.329 171 2HZ LYS 23 HZ2 LYS 23 60.415 -3.272 10.614 172 3HZ LYS 23 HZ1 LYS 23 59.056 -2.636 11.412 173 H ALA 24 HN ALA 24 57.477 -4.961 3.986 174 HA ALA 24 HA ALA 24 57.836 -6.992 6.019 175 1HB ALA 24 HB3 ALA 24 56.344 -6.771 3.693 176 2HB ALA 24 HB2 ALA 24 57.561 -7.976 3.274 177 3HB ALA 24 HB1 ALA 24 56.511 -8.232 4.667 178 H ALA 25 HN ALA 25 59.530 -6.241 2.965 179 HA ALA 25 HA ALA 25 61.380 -8.388 3.031 180 1HB ALA 25 HB3 ALA 25 61.631 -5.571 1.948 181 2HB ALA 25 HB2 ALA 25 62.864 -6.809 1.701 182 3HB ALA 25 HB1 ALA 25 61.241 -7.039 1.050 183 H PHE 26 HN PHE 26 61.905 -5.034 4.180 184 HA PHE 26 HA PHE 26 64.412 -5.545 5.421 185 1HB PHE 26 HB2 PHE 26 63.852 -3.276 5.070 186 2HB PHE 26 HB1 PHE 26 62.270 -3.457 5.828 187 HD1 PHE 26 HD1 PHE 26 65.919 -3.284 6.468 188 HD2 PHE 26 HD2 PHE 26 61.993 -3.313 8.202 189 HE1 PHE 26 HE1 PHE 26 66.879 -2.595 8.649 190 HE2 PHE 26 HE2 PHE 26 62.950 -2.624 10.385 191 HZ PHE 26 HZ PHE 26 65.394 -2.264 10.608 192 H ASP 27 HN ASP 27 61.102 -5.926 6.599 193 HA ASP 27 HA ASP 27 61.596 -6.230 9.359 194 1HB ASP 27 HB2 ASP 27 59.334 -6.140 8.371 195 2HB ASP 27 HB1 ASP 27 59.586 -7.735 7.660 196 H MET 28 HN MET 28 62.592 -8.257 6.777 197 HA MET 28 HA MET 28 62.715 -10.728 8.307 198 1HB MET 28 HB2 MET 28 62.964 -10.009 5.605 199 2HB MET 28 HB1 MET 28 64.548 -10.632 6.065 200 1HG MET 28 HG2 MET 28 63.248 -12.578 7.165 201 2HG MET 28 HG1 MET 28 61.876 -12.024 6.207 202 1HE MET 28 HE2 MET 28 65.482 -12.309 6.209 203 2HE MET 28 HE1 MET 28 65.912 -13.572 5.059 204 3HE MET 28 HE3 MET 28 65.774 -11.891 4.523 205 H PHE 29 HN PHE 29 65.208 -8.416 7.159 206 HA PHE 29 HA PHE 29 67.280 -9.771 8.705 207 1HB PHE 29 HB2 PHE 29 67.189 -7.220 7.096 208 2HB PHE 29 HB1 PHE 29 68.613 -7.678 8.031 209 HD1 PHE 29 HD1 PHE 29 69.672 -9.951 7.610 210 HD2 PHE 29 HD2 PHE 29 66.740 -8.218 4.998 211 HE1 PHE 29 HE1 PHE 29 70.373 -11.497 5.803 212 HE2 PHE 29 HE2 PHE 29 67.439 -9.756 3.191 213 HZ PHE 29 HZ PHE 29 69.256 -11.401 3.592 214 H ASP 30 HN ASP 30 64.968 -7.299 9.334 215 HA ASP 30 HA ASP 30 66.525 -6.173 11.572 216 1HB ASP 30 HB2 ASP 30 64.798 -4.572 11.788 217 2HB ASP 30 HB1 ASP 30 64.891 -4.866 10.051 218 H ALA 31 HN ALA 31 65.203 -9.046 11.279 219 HA ALA 31 HA ALA 31 63.426 -9.143 13.593 220 1HB ALA 31 HB2 ALA 31 64.229 -10.917 11.467 221 2HB ALA 31 HB1 ALA 31 64.409 -11.737 13.018 222 3HB ALA 31 HB3 ALA 31 62.850 -11.055 12.557 223 H ASP 32 HN ASP 32 66.681 -8.673 13.384 224 HA ASP 32 HA ASP 32 67.649 -10.536 15.376 225 1HB ASP 32 HB2 ASP 32 68.706 -8.003 14.142 226 2HB ASP 32 HB1 ASP 32 69.520 -8.710 15.538 227 H GLY 33 HN GLY 33 65.635 -7.831 15.582 228 1HA GLY 33 HA2 GLY 33 64.594 -7.195 17.677 229 2HA GLY 33 HA1 GLY 33 66.036 -7.756 18.527 230 H GLY 34 HN GLY 34 67.975 -6.440 16.894 231 1HA GLY 34 HA2 GLY 34 68.116 -3.899 18.156 232 2HA GLY 34 HA1 GLY 34 69.070 -4.370 16.749 233 H GLY 35 HN GLY 35 67.017 -4.798 14.885 234 1HA GLY 35 HA2 GLY 35 65.173 -3.639 13.808 235 2HA GLY 35 HA1 GLY 35 65.535 -2.219 14.790 236 H ASP 36 HN ASP 36 67.775 -4.210 12.861 237 HA ASP 36 HA ASP 36 68.001 -2.176 10.779 238 1HB ASP 36 HB2 ASP 36 70.465 -1.776 11.283 239 2HB ASP 36 HB1 ASP 36 69.334 -1.017 12.403 240 H ILE 37 HN ILE 37 69.857 -2.806 9.247 241 HA ILE 37 HA ILE 37 70.443 -5.723 9.393 242 HB ILE 37 HB ILE 37 68.677 -5.812 7.882 243 1HG1 ILE 37 HG12 ILE 37 71.083 -5.163 6.154 244 2HG1 ILE 37 HG11 ILE 37 70.638 -6.757 6.765 245 1HG2 ILE 37 HG22 ILE 37 68.440 -3.284 7.883 246 2HG2 ILE 37 HG21 ILE 37 69.605 -3.257 6.557 247 3HG2 ILE 37 HG23 ILE 37 68.055 -4.073 6.354 248 1HD1 ILE 37 HD13 ILE 37 68.766 -5.118 5.053 249 2HD1 ILE 37 HD12 ILE 37 69.945 -6.226 4.352 250 3HD1 ILE 37 HD11 ILE 37 68.681 -6.842 5.415 251 H SER 38 HN SER 38 72.157 -6.293 7.724 252 HA SER 38 HA SER 38 74.241 -4.173 7.790 253 1HB SER 38 HB2 SER 38 75.629 -6.248 6.916 254 2HB SER 38 HB1 SER 38 75.202 -6.121 8.620 255 HG SER 38 HG SER 38 74.643 -8.091 7.057 256 H THR 39 HN THR 39 75.317 -3.514 5.869 257 HA THR 39 HA THR 39 73.728 -3.363 3.507 258 HB THR 39 HB THR 39 75.850 -2.568 2.422 259 HG1 THR 39 HG1 THR 39 77.499 -2.294 4.282 260 1HG2 THR 39 HG23 THR 39 74.946 -1.488 5.086 261 2HG2 THR 39 HG22 THR 39 76.223 -0.689 4.169 262 3HG2 THR 39 HG21 THR 39 74.614 -0.860 3.471 263 H LYS 40 HN LYS 40 76.061 -5.735 4.608 264 HA LYS 40 HA LYS 40 76.484 -7.000 2.045 265 1HB LYS 40 HB2 LYS 40 76.878 -7.864 4.909 266 2HB LYS 40 HB1 LYS 40 77.120 -8.997 3.580 267 1HG LYS 40 HG2 LYS 40 78.450 -6.626 2.819 268 2HG LYS 40 HG1 LYS 40 78.873 -6.894 4.511 269 1HD LYS 40 HD2 LYS 40 79.157 -9.409 3.642 270 2HD LYS 40 HD1 LYS 40 79.468 -8.576 2.119 271 1HE LYS 40 HE2 LYS 40 81.140 -7.136 3.352 272 2HE LYS 40 HE1 LYS 40 80.930 -8.199 4.744 273 1HZ LYS 40 HZ2 LYS 40 81.792 -9.065 2.035 274 2HZ LYS 40 HZ1 LYS 40 82.818 -8.859 3.373 275 3HZ LYS 40 HZ3 LYS 40 81.626 -10.066 3.399 276 H ALA 41 HN ALA 41 74.012 -7.216 4.512 277 HA ALA 41 HA ALA 41 72.847 -9.669 3.400 278 1HB ALA 41 HB2 ALA 41 72.695 -8.399 5.858 279 2HB ALA 41 HB1 ALA 41 71.126 -8.047 5.136 280 3HB ALA 41 HB3 ALA 41 71.653 -9.719 5.327 281 H LEU 42 HN LEU 42 72.823 -6.405 2.554 282 HA LEU 42 HA LEU 42 70.114 -6.009 1.757 283 1HB LEU 42 HB2 LEU 42 72.670 -4.690 1.364 284 2HB LEU 42 HB1 LEU 42 71.710 -4.659 -0.116 285 HG LEU 42 HG LEU 42 69.903 -3.554 0.946 286 1HD1 LEU 42 HD11 LEU 42 71.214 -4.536 3.468 287 2HD1 LEU 42 HD13 LEU 42 70.152 -3.129 3.529 288 3HD1 LEU 42 HD12 LEU 42 69.530 -4.680 2.964 289 1HD2 LEU 42 HD21 LEU 42 71.899 -2.122 0.560 290 2HD2 LEU 42 HD23 LEU 42 70.927 -1.560 1.919 291 3HD2 LEU 42 HD22 LEU 42 72.424 -2.446 2.213 292 H GLY 43 HN GLY 43 72.888 -7.423 0.018 293 1HA GLY 43 HA2 GLY 43 71.813 -7.745 -2.528 294 2HA GLY 43 HA1 GLY 43 72.839 -8.966 -1.769 295 H THR 44 HN THR 44 70.989 -9.456 0.433 296 HA THR 44 HA THR 44 69.289 -11.422 -0.875 297 HB THR 44 HB THR 44 69.643 -10.532 1.993 298 HG1 THR 44 HG1 THR 44 70.364 -12.767 2.079 299 1HG2 THR 44 HG21 THR 44 67.355 -11.821 0.837 300 2HG2 THR 44 HG23 THR 44 68.206 -12.981 1.855 301 3HG2 THR 44 HG22 THR 44 67.662 -11.448 2.533 302 H VAL 45 HN VAL 45 68.761 -8.320 0.809 303 HA VAL 45 HA VAL 45 65.901 -8.393 0.688 304 HB VAL 45 HB VAL 45 67.549 -5.866 0.529 305 1HG1 VAL 45 HG11 VAL 45 64.864 -6.214 0.604 306 2HG1 VAL 45 HG13 VAL 45 65.214 -6.213 2.333 307 3HG1 VAL 45 HG12 VAL 45 65.672 -4.829 1.340 308 1HG2 VAL 45 HG22 VAL 45 67.126 -7.755 2.854 309 2HG2 VAL 45 HG21 VAL 45 68.649 -7.107 2.244 310 3HG2 VAL 45 HG23 VAL 45 67.518 -6.051 3.090 311 H MET 46 HN MET 46 68.275 -7.948 -1.746 312 HA MET 46 HA MET 46 66.776 -6.294 -3.560 313 1HB MET 46 HB2 MET 46 69.038 -8.262 -3.915 314 2HB MET 46 HB1 MET 46 68.302 -7.449 -5.296 315 1HG MET 46 HG2 MET 46 69.494 -6.045 -2.886 316 2HG MET 46 HG1 MET 46 70.291 -6.222 -4.449 317 1HE MET 46 HE3 MET 46 70.514 -3.815 -3.657 318 2HE MET 46 HE2 MET 46 70.411 -3.547 -5.396 319 3HE MET 46 HE1 MET 46 69.491 -2.522 -4.298 320 H ARG 47 HN ARG 47 67.496 -9.770 -4.001 321 HA ARG 47 HA ARG 47 65.412 -10.257 -5.846 322 1HB ARG 47 HB2 ARG 47 66.992 -11.981 -3.968 323 2HB ARG 47 HB1 ARG 47 65.599 -12.679 -4.796 324 1HG ARG 47 HG2 ARG 47 66.636 -11.639 -6.943 325 2HG ARG 47 HG1 ARG 47 68.118 -11.540 -5.990 326 1HD ARG 47 HD2 ARG 47 66.874 -14.138 -5.666 327 2HD ARG 47 HD1 ARG 47 67.153 -13.793 -7.373 328 HE ARG 47 HE ARG 47 69.557 -13.117 -6.343 329 1HH1 ARG 47 HH21 ARG 47 70.192 -14.358 -4.146 330 2HH1 ARG 47 HH22 ARG 47 70.274 -16.066 -4.422 331 1HH2 ARG 47 HH11 ARG 47 68.484 -15.941 -7.389 332 2HH2 ARG 47 HH12 ARG 47 69.308 -16.963 -6.259 333 H MET 48 HN MET 48 65.278 -9.801 -2.416 334 HA MET 48 HA MET 48 62.874 -11.230 -1.833 335 1HB MET 48 HB2 MET 48 64.557 -9.257 -0.520 336 2HB MET 48 HB1 MET 48 62.849 -8.936 -0.221 337 1HG MET 48 HG2 MET 48 62.537 -10.900 0.931 338 2HG MET 48 HG1 MET 48 63.742 -11.771 -0.018 339 1HE MET 48 HE2 MET 48 64.074 -8.282 1.504 340 2HE MET 48 HE1 MET 48 63.141 -9.076 2.770 341 3HE MET 48 HE3 MET 48 64.798 -8.548 3.087 342 H LEU 49 HN LEU 49 63.413 -7.889 -2.960 343 HA LEU 49 HA LEU 49 60.506 -7.423 -3.102 344 1HB LEU 49 HB2 LEU 49 62.406 -5.525 -4.390 345 2HB LEU 49 HB1 LEU 49 61.015 -5.196 -3.360 346 HG LEU 49 HG LEU 49 63.781 -6.075 -2.513 347 1HD1 LEU 49 HD12 LEU 49 62.794 -3.584 -2.871 348 2HD1 LEU 49 HD11 LEU 49 62.273 -3.871 -1.211 349 3HD1 LEU 49 HD13 LEU 49 63.983 -3.972 -1.628 350 1HD2 LEU 49 HD22 LEU 49 61.258 -6.781 -1.333 351 2HD2 LEU 49 HD21 LEU 49 62.880 -7.143 -0.744 352 3HD2 LEU 49 HD23 LEU 49 62.082 -5.644 -0.267 353 H GLY 50 HN GLY 50 63.098 -6.968 -5.535 354 1HA GLY 50 HA2 GLY 50 62.024 -8.765 -7.462 355 2HA GLY 50 HA1 GLY 50 61.352 -7.164 -7.773 356 H GLN 51 HN GLN 51 63.650 -5.652 -6.943 357 HA GLN 51 HA GLN 51 65.165 -5.678 -9.382 358 1HB GLN 51 HB2 GLN 51 65.367 -4.261 -6.752 359 2HB GLN 51 HB1 GLN 51 66.765 -4.229 -7.827 360 1HG GLN 51 HG2 GLN 51 65.538 -2.332 -8.490 361 2HG GLN 51 HG1 GLN 51 65.056 -3.555 -9.668 362 1HE2 GLN 51 HE22 GLN 51 62.356 -2.383 -6.795 363 2HE2 GLN 51 HE21 GLN 51 64.013 -2.119 -6.534 364 H ASN 52 HN ASN 52 67.147 -6.617 -9.851 365 HA ASN 52 HA ASN 52 68.672 -7.933 -7.689 366 1HB ASN 52 HB2 ASN 52 66.881 -9.534 -8.693 367 2HB ASN 52 HB1 ASN 52 67.929 -9.565 -10.113 368 1HD2 ASN 52 HD22 ASN 52 69.708 -12.180 -8.536 369 2HD2 ASN 52 HD21 ASN 52 68.774 -11.700 -9.870 370 HA PRO 53 HA PRO 53 71.185 -6.101 -11.120 371 1HB PRO 53 HB2 PRO 53 72.546 -4.329 -9.518 372 2HB PRO 53 HB1 PRO 53 71.018 -3.942 -10.329 373 1HG PRO 53 HG2 PRO 53 71.519 -4.530 -7.448 374 2HG PRO 53 HG1 PRO 53 70.232 -3.566 -8.188 375 1HD PRO 53 HD2 PRO 53 69.973 -6.215 -7.222 376 2HD PRO 53 HD1 PRO 53 68.804 -5.360 -8.253 377 H THR 54 HN THR 54 73.759 -5.801 -10.923 378 HA THR 54 HA THR 54 74.766 -8.327 -9.843 379 HB THR 54 HB THR 54 75.573 -7.376 -12.007 380 HG1 THR 54 HG1 THR 54 77.407 -7.737 -9.887 381 1HG2 THR 54 HG23 THR 54 75.666 -5.002 -10.639 382 2HG2 THR 54 HG22 THR 54 77.368 -5.465 -10.665 383 3HG2 THR 54 HG21 THR 54 76.476 -5.301 -12.177 384 H LYS 55 HN LYS 55 76.432 -8.488 -8.225 385 HA LYS 55 HA LYS 55 76.085 -6.908 -5.919 386 1HB LYS 55 HB2 LYS 55 77.287 -9.172 -6.160 387 2HB LYS 55 HB1 LYS 55 78.710 -8.234 -6.619 388 1HG LYS 55 HG2 LYS 55 77.211 -7.477 -4.133 389 2HG LYS 55 HG1 LYS 55 78.303 -8.861 -4.086 390 1HD LYS 55 HD2 LYS 55 79.796 -6.959 -5.425 391 2HD LYS 55 HD1 LYS 55 78.929 -5.999 -4.226 392 1HE LYS 55 HE2 LYS 55 80.744 -6.654 -2.952 393 2HE LYS 55 HE1 LYS 55 79.651 -7.998 -2.623 394 1HZ LYS 55 HZ2 LYS 55 81.165 -8.374 -5.021 395 2HZ LYS 55 HZ1 LYS 55 82.162 -8.193 -3.658 396 3HZ LYS 55 HZ3 LYS 55 80.978 -9.408 -3.685 397 H GLU 56 HN GLU 56 77.971 -6.285 -8.776 398 HA GLU 56 HA GLU 56 79.826 -4.397 -7.703 399 1HB GLU 56 HB2 GLU 56 79.342 -5.456 -10.194 400 2HB GLU 56 HB1 GLU 56 78.804 -3.789 -10.396 401 1HG GLU 56 HG2 GLU 56 81.147 -3.473 -8.982 402 2HG GLU 56 HG1 GLU 56 81.524 -4.841 -10.029 403 H GLU 57 HN GLU 57 76.968 -3.559 -9.691 404 HA GLU 57 HA GLU 57 76.843 -0.853 -8.953 405 1HB GLU 57 HB2 GLU 57 74.632 -2.788 -9.684 406 2HB GLU 57 HB1 GLU 57 74.364 -1.057 -9.478 407 1HG GLU 57 HG2 GLU 57 76.168 -0.648 -11.186 408 2HG GLU 57 HG1 GLU 57 76.212 -2.388 -11.476 409 H LEU 58 HN LEU 58 76.055 -3.660 -7.087 410 HA LEU 58 HA LEU 58 74.260 -2.383 -5.219 411 1HB LEU 58 HB2 LEU 58 74.498 -4.872 -5.530 412 2HB LEU 58 HB1 LEU 58 76.063 -4.770 -4.720 413 HG LEU 58 HG LEU 58 74.589 -3.447 -2.911 414 1HD1 LEU 58 HD11 LEU 58 72.674 -4.739 -4.686 415 2HD1 LEU 58 HD13 LEU 58 72.505 -5.309 -3.026 416 3HD1 LEU 58 HD12 LEU 58 72.386 -3.587 -3.382 417 1HD2 LEU 58 HD22 LEU 58 75.987 -5.595 -2.717 418 2HD2 LEU 58 HD21 LEU 58 74.624 -5.447 -1.606 419 3HD2 LEU 58 HD23 LEU 58 74.489 -6.469 -3.037 420 H ASP 59 HN ASP 59 77.758 -3.139 -5.078 421 HA ASP 59 HA ASP 59 78.304 -2.049 -2.541 422 1HB ASP 59 HB2 ASP 59 79.937 -3.273 -4.032 423 2HB ASP 59 HB1 ASP 59 80.102 -1.787 -4.969 424 H ALA 60 HN ALA 60 78.282 -0.379 -5.706 425 HA ALA 60 HA ALA 60 78.937 2.206 -4.700 426 1HB ALA 60 HB3 ALA 60 78.643 1.278 -7.175 427 2HB ALA 60 HB2 ALA 60 77.016 1.927 -6.981 428 3HB ALA 60 HB1 ALA 60 78.414 2.989 -6.820 429 H ILE 61 HN ILE 61 75.889 0.446 -4.877 430 HA ILE 61 HA ILE 61 74.142 2.631 -4.285 431 HB ILE 61 HB ILE 61 73.969 -0.356 -3.883 432 1HG1 ILE 61 HG12 ILE 61 72.542 1.665 -5.635 433 2HG1 ILE 61 HG11 ILE 61 73.716 0.461 -6.159 434 1HG2 ILE 61 HG22 ILE 61 72.729 0.704 -2.021 435 2HG2 ILE 61 HG21 ILE 61 71.844 1.692 -3.183 436 3HG2 ILE 61 HG23 ILE 61 71.630 -0.059 -3.171 437 1HD1 ILE 61 HD13 ILE 61 71.181 -0.350 -4.740 438 2HD1 ILE 61 HD12 ILE 61 71.210 -0.096 -6.485 439 3HD1 ILE 61 HD11 ILE 61 72.233 -1.335 -5.758 440 H ILE 62 HN ILE 62 75.687 0.230 -2.129 441 HA ILE 62 HA ILE 62 74.696 1.334 0.308 442 HB ILE 62 HB ILE 62 77.182 -0.274 -0.322 443 1HG1 ILE 62 HG12 ILE 62 74.964 -1.308 1.355 444 2HG1 ILE 62 HG11 ILE 62 74.570 -1.032 -0.342 445 1HG2 ILE 62 HG23 ILE 62 76.295 1.045 2.178 446 2HG2 ILE 62 HG22 ILE 62 76.765 -0.649 2.337 447 3HG2 ILE 62 HG21 ILE 62 77.909 0.526 1.687 448 1HD1 ILE 62 HD13 ILE 62 76.678 -2.329 -0.924 449 2HD1 ILE 62 HD12 ILE 62 76.768 -2.786 0.778 450 3HD1 ILE 62 HD11 ILE 62 75.385 -3.283 -0.197 451 H GLU 63 HN GLU 63 77.386 2.229 -1.760 452 HA GLU 63 HA GLU 63 78.771 3.882 0.143 453 1HB GLU 63 HB2 GLU 63 78.956 3.257 -2.680 454 2HB GLU 63 HB1 GLU 63 79.176 4.987 -2.415 455 1HG GLU 63 HG2 GLU 63 81.237 4.638 -1.586 456 2HG GLU 63 HG1 GLU 63 80.594 3.521 -0.381 457 H GLU 64 HN GLU 64 76.007 4.427 -1.967 458 HA GLU 64 HA GLU 64 76.002 7.308 -1.225 459 1HB GLU 64 HB2 GLU 64 74.864 5.698 -3.435 460 2HB GLU 64 HB1 GLU 64 73.841 7.009 -2.848 461 1HG GLU 64 HG2 GLU 64 76.008 8.450 -2.986 462 2HG GLU 64 HG1 GLU 64 76.601 7.165 -4.040 463 H VAL 65 HN VAL 65 74.653 4.366 -0.216 464 HA VAL 65 HA VAL 65 72.151 5.600 0.772 465 HB VAL 65 HB VAL 65 73.226 2.780 1.091 466 1HG1 VAL 65 HG13 VAL 65 70.738 4.189 1.993 467 2HG1 VAL 65 HG12 VAL 65 70.625 2.496 1.512 468 3HG1 VAL 65 HG11 VAL 65 71.697 2.969 2.830 469 1HG2 VAL 65 HG21 VAL 65 72.486 3.809 -1.242 470 2HG2 VAL 65 HG23 VAL 65 71.981 2.184 -0.778 471 3HG2 VAL 65 HG22 VAL 65 70.867 3.538 -0.596 472 H ASP 66 HN ASP 66 75.338 4.782 1.885 473 HA ASP 66 HA ASP 66 74.553 4.996 4.727 474 1HB ASP 66 HB2 ASP 66 76.907 4.055 3.221 475 2HB ASP 66 HB1 ASP 66 77.302 4.949 4.689 476 H GLU 67 HN GLU 67 73.788 7.311 4.001 477 HA GLU 67 HA GLU 67 75.637 9.373 3.423 478 1HB GLU 67 HB2 GLU 67 72.884 9.178 4.336 479 2HB GLU 67 HB1 GLU 67 73.719 10.522 5.117 480 1HG GLU 67 HG2 GLU 67 74.352 10.330 2.271 481 2HG GLU 67 HG1 GLU 67 72.627 10.558 2.560 482 H ASP 68 HN ASP 68 75.104 7.603 6.355 483 HA ASP 68 HA ASP 68 76.649 9.608 7.919 484 1HB ASP 68 HB2 ASP 68 76.060 7.940 9.825 485 2HB ASP 68 HB1 ASP 68 74.765 8.938 9.165 486 H GLY 69 HN GLY 69 76.907 6.479 6.433 487 1HA GLY 69 HA2 GLY 69 78.862 5.204 6.071 488 2HA GLY 69 HA1 GLY 69 79.770 6.413 6.980 489 H SER 70 HN SER 70 76.902 4.851 8.273 490 HA SER 70 HA SER 70 78.417 3.947 10.598 491 1HB SER 70 HB2 SER 70 76.145 2.909 11.201 492 2HB SER 70 HB1 SER 70 76.194 4.663 11.051 493 HG SER 70 HG SER 70 75.631 3.087 8.797 494 H GLY 71 HN GLY 71 77.640 2.630 7.536 495 1HA GLY 71 HA2 GLY 71 78.344 0.558 6.636 496 2HA GLY 71 HA1 GLY 71 78.958 0.116 8.229 497 H THR 72 HN THR 72 75.736 1.268 8.228 498 HA THR 72 HA THR 72 74.629 -1.486 8.026 499 HB THR 72 HB THR 72 73.210 -0.566 10.141 500 HG1 THR 72 HG1 THR 72 74.981 0.270 11.537 501 1HG2 THR 72 HG22 THR 72 74.851 -2.646 9.675 502 2HG2 THR 72 HG21 THR 72 75.846 -1.759 10.829 503 3HG2 THR 72 HG23 THR 72 74.222 -2.279 11.282 504 H ILE 73 HN ILE 73 72.536 -1.512 7.194 505 HA ILE 73 HA ILE 73 71.438 1.156 6.425 506 HB ILE 73 HB ILE 73 70.806 -1.571 5.260 507 1HG1 ILE 73 HG12 ILE 73 73.190 -0.698 4.942 508 2HG1 ILE 73 HG11 ILE 73 72.291 -1.029 3.461 509 1HG2 ILE 73 HG23 ILE 73 69.608 1.049 5.007 510 2HG2 ILE 73 HG22 ILE 73 70.266 0.531 3.456 511 3HG2 ILE 73 HG21 ILE 73 69.090 -0.478 4.296 512 1HD1 ILE 73 HD12 ILE 73 71.927 1.703 4.510 513 2HD1 ILE 73 HD11 ILE 73 73.574 1.337 3.998 514 3HD1 ILE 73 HD13 ILE 73 72.238 1.163 2.859 515 H ASP 74 HN ASP 74 69.410 1.740 7.115 516 HA ASP 74 HA ASP 74 67.917 -0.270 8.753 517 1HB ASP 74 HB2 ASP 74 66.949 1.979 9.767 518 2HB ASP 74 HB1 ASP 74 68.491 1.340 10.333 519 H PHE 75 HN PHE 75 65.484 0.286 8.818 520 HA PHE 75 HA PHE 75 64.368 0.168 6.255 521 1HB PHE 75 HB2 PHE 75 63.237 -0.264 8.522 522 2HB PHE 75 HB1 PHE 75 62.943 1.476 8.575 523 HD1 PHE 75 HD2 PHE 75 62.865 -1.077 5.839 524 HD2 PHE 75 HD1 PHE 75 60.736 1.961 7.997 525 HE1 PHE 75 HE2 PHE 75 60.923 -1.359 4.317 526 HE2 PHE 75 HE1 PHE 75 58.793 1.682 6.479 527 HZ PHE 75 HZ PHE 75 58.887 0.021 4.638 528 H GLU 76 HN GLU 76 65.440 2.977 8.034 529 HA GLU 76 HA GLU 76 63.972 4.899 6.424 530 1HB GLU 76 HB2 GLU 76 66.383 5.202 8.235 531 2HB GLU 76 HB1 GLU 76 65.538 6.553 7.477 532 1HG GLU 76 HG2 GLU 76 64.333 6.519 9.422 533 2HG GLU 76 HG1 GLU 76 63.432 5.256 8.581 534 H GLU 77 HN GLU 77 67.228 3.495 6.314 535 HA GLU 77 HA GLU 77 67.957 5.182 4.011 536 1HB GLU 77 HB2 GLU 77 69.397 2.958 5.479 537 2HB GLU 77 HB1 GLU 77 70.073 3.795 4.082 538 1HG GLU 77 HG2 GLU 77 69.936 5.935 5.255 539 2HG GLU 77 HG1 GLU 77 69.172 5.152 6.639 540 H PHE 78 HN PHE 78 66.333 2.227 4.502 541 HA PHE 78 HA PHE 78 67.236 0.811 2.166 542 1HB PHE 78 HB2 PHE 78 66.141 -0.646 3.571 543 2HB PHE 78 HB1 PHE 78 65.005 0.579 4.127 544 HD1 PHE 78 HD2 PHE 78 63.121 1.282 2.628 545 HD2 PHE 78 HD1 PHE 78 65.586 -2.125 1.783 546 HE1 PHE 78 HE2 PHE 78 61.397 0.429 1.053 547 HE2 PHE 78 HE1 PHE 78 63.871 -2.983 0.208 548 HZ PHE 78 HZ PHE 78 61.776 -1.706 -0.156 549 H LEU 79 HN LEU 79 64.396 2.895 2.786 550 HA LEU 79 HA LEU 79 63.217 2.765 0.238 551 1HB LEU 79 HB2 LEU 79 63.435 5.224 2.002 552 2HB LEU 79 HB1 LEU 79 62.234 4.952 0.738 553 HG LEU 79 HG LEU 79 62.581 3.154 3.153 554 1HD1 LEU 79 HD11 LEU 79 61.698 5.672 3.365 555 2HD1 LEU 79 HD13 LEU 79 60.205 4.925 2.797 556 3HD1 LEU 79 HD12 LEU 79 60.968 4.354 4.281 557 1HD2 LEU 79 HD22 LEU 79 61.553 2.290 0.948 558 2HD2 LEU 79 HD21 LEU 79 60.595 2.080 2.414 559 3HD2 LEU 79 HD23 LEU 79 60.212 3.384 1.289 560 H VAL 80 HN VAL 80 65.925 4.782 1.354 561 HA VAL 80 HA VAL 80 66.210 6.350 -1.008 562 HB VAL 80 HB VAL 80 68.402 5.367 0.849 563 1HG1 VAL 80 HG11 VAL 80 68.610 6.729 -1.555 564 2HG1 VAL 80 HG13 VAL 80 68.618 8.028 -0.364 565 3HG1 VAL 80 HG12 VAL 80 69.815 6.738 -0.270 566 1HG2 VAL 80 HG22 VAL 80 66.298 7.469 1.073 567 2HG2 VAL 80 HG21 VAL 80 67.074 6.517 2.339 568 3HG2 VAL 80 HG23 VAL 80 67.916 7.896 1.632 569 H MET 81 HN MET 81 67.395 3.123 -0.163 570 HA MET 81 HA MET 81 69.159 2.701 -2.326 571 1HB MET 81 HB2 MET 81 68.550 1.174 -0.285 572 2HB MET 81 HB1 MET 81 67.325 0.515 -1.371 573 1HG MET 81 HG2 MET 81 68.876 -0.447 -2.762 574 2HG MET 81 HG1 MET 81 70.071 0.818 -2.475 575 1HE MET 81 HE2 MET 81 70.424 1.398 -0.088 576 2HE MET 81 HE1 MET 81 70.235 0.316 1.289 577 3HE MET 81 HE3 MET 81 71.780 0.403 0.432 578 H MET 82 HN MET 82 65.652 2.011 -2.138 579 HA MET 82 HA MET 82 65.370 1.070 -4.808 580 1HB MET 82 HB2 MET 82 63.324 2.583 -3.154 581 2HB MET 82 HB1 MET 82 62.984 1.536 -4.532 582 1HG MET 82 HG2 MET 82 64.387 0.589 -2.019 583 2HG MET 82 HG1 MET 82 62.651 0.431 -2.286 584 1HE MET 82 HE2 MET 82 65.984 -0.388 -2.723 585 2HE MET 82 HE1 MET 82 65.905 -2.122 -3.027 586 3HE MET 82 HE3 MET 82 66.216 -0.999 -4.358 587 H VAL 83 HN VAL 83 64.768 4.354 -3.498 588 HA VAL 83 HA VAL 83 64.311 5.508 -6.100 589 HB VAL 83 HB VAL 83 65.339 7.148 -3.811 590 1HG1 VAL 83 HG12 VAL 83 64.586 8.061 -6.071 591 2HG1 VAL 83 HG11 VAL 83 62.957 7.543 -5.636 592 3HG1 VAL 83 HG13 VAL 83 63.785 8.760 -4.664 593 1HG2 VAL 83 HG23 VAL 83 62.982 5.356 -3.780 594 2HG2 VAL 83 HG22 VAL 83 63.876 6.063 -2.433 595 3HG2 VAL 83 HG21 VAL 83 62.664 7.018 -3.287 596 H ARG 84 HN ARG 84 67.119 4.347 -4.672 597 HA ARG 84 HA ARG 84 69.033 6.307 -5.527 598 1HB ARG 84 HB2 ARG 84 69.111 3.943 -4.079 599 2HB ARG 84 HB1 ARG 84 69.989 3.540 -5.557 600 1HG ARG 84 HG2 ARG 84 71.726 4.468 -4.371 601 2HG ARG 84 HG1 ARG 84 71.077 5.941 -5.092 602 1HD ARG 84 HD2 ARG 84 69.511 5.760 -2.882 603 2HD ARG 84 HD1 ARG 84 70.994 5.023 -2.276 604 HE ARG 84 HE ARG 84 71.909 7.184 -2.236 605 1HH1 ARG 84 HH21 ARG 84 68.857 7.792 -3.148 606 2HH1 ARG 84 HH22 ARG 84 69.199 9.068 -4.270 607 1HH2 ARG 84 HH11 ARG 84 72.613 8.470 -4.318 608 2HH2 ARG 84 HH12 ARG 84 71.326 9.450 -4.931 609 H GLN 85 HN GLN 85 67.701 3.392 -7.090 610 HA GLN 85 HA GLN 85 68.931 4.368 -9.639 611 1HB GLN 85 HB2 GLN 85 69.046 1.957 -10.321 612 2HB GLN 85 HB1 GLN 85 70.086 2.347 -8.950 613 1HG GLN 85 HG2 GLN 85 68.996 0.878 -7.640 614 2HG GLN 85 HG1 GLN 85 67.449 1.641 -8.009 615 1HE2 GLN 85 HE21 GLN 85 67.427 1.145 -10.857 616 2HE2 GLN 85 HE22 GLN 85 67.266 -0.528 -11.091 617 H MET 86 HN MET 86 66.083 4.136 -8.083 618 HA MET 86 HA MET 86 64.403 2.813 -10.019 619 1HB MET 86 HB2 MET 86 64.041 4.433 -7.594 620 2HB MET 86 HB1 MET 86 62.771 4.671 -8.792 621 1HG MET 86 HG2 MET 86 62.637 2.123 -8.949 622 2HG MET 86 HG1 MET 86 63.640 2.080 -7.499 623 1HE MET 86 HE3 MET 86 60.711 3.109 -9.308 624 2HE MET 86 HE2 MET 86 59.359 3.145 -8.178 625 3HE MET 86 HE1 MET 86 60.349 4.584 -8.402 626 H LYS 87 HN LYS 87 66.124 5.718 -10.157 627 HA LYS 87 HA LYS 87 64.595 6.519 -12.569 628 1HB LYS 87 HB2 LYS 87 64.774 8.943 -11.771 629 2HB LYS 87 HB1 LYS 87 63.581 7.943 -10.938 630 1HG LYS 87 HG2 LYS 87 65.157 7.538 -9.106 631 2HG LYS 87 HG1 LYS 87 66.398 8.469 -9.946 632 1HD LYS 87 HD2 LYS 87 64.618 10.380 -9.947 633 2HD LYS 87 HD1 LYS 87 63.860 9.445 -8.657 634 1HE LYS 87 HE2 LYS 87 65.408 11.113 -7.718 635 2HE LYS 87 HE1 LYS 87 65.986 9.478 -7.392 636 1HZ LYS 87 HZ1 LYS 87 66.931 10.463 -9.896 637 2HZ LYS 87 HZ3 LYS 87 67.387 11.483 -8.620 638 3HZ LYS 87 HZ2 LYS 87 67.807 9.837 -8.582 639 H GLU 88 HN GLU 88 66.483 5.777 -13.717 640 HA GLU 88 HA GLU 88 68.543 7.814 -13.990 641 1HB GLU 88 HB2 GLU 88 70.415 6.136 -13.499 642 2HB GLU 88 HB1 GLU 88 69.559 6.774 -12.096 643 1HG GLU 88 HG2 GLU 88 69.096 4.655 -11.495 644 2HG GLU 88 HG1 GLU 88 68.073 4.531 -12.927 645 H ASP 89 HN ASP 89 67.462 4.515 -14.712 646 HA ASP 89 HA ASP 89 68.579 4.873 -17.466 647 1HB ASP 89 HB2 ASP 89 68.675 2.608 -15.579 648 2HB ASP 89 HB1 ASP 89 68.203 2.168 -17.221 649 H ALA 90 HN ALA 90 65.876 5.555 -16.258 650 HA ALA 90 HA ALA 90 64.274 4.093 -18.305 651 1HB ALA 90 HB2 ALA 90 63.920 3.089 -16.016 652 2HB ALA 90 HB1 ALA 90 63.294 4.651 -15.491 653 3HB ALA 90 HB3 ALA 90 62.456 3.744 -16.750 No H/Q in entry = 653 Start of MODEL 37 1 1H ALA 1 HT3 ALA 1 62.147 9.589 13.274 2 2H ALA 1 HT2 ALA 1 60.600 10.081 13.777 3 3H ALA 1 HT1 ALA 1 61.074 10.282 12.157 4 HA ALA 1 HA ALA 1 61.227 12.404 13.154 5 1HB ALA 1 HB1 ALA 1 61.510 11.064 15.491 6 2HB ALA 1 HB3 ALA 1 63.186 11.535 15.210 7 3HB ALA 1 HB2 ALA 1 61.927 12.767 15.304 8 H SER 2 HN SER 2 62.578 11.010 11.084 9 HA SER 2 HA SER 2 65.054 12.577 10.997 10 1HB SER 2 HB2 SER 2 66.026 10.700 12.079 11 2HB SER 2 HB1 SER 2 65.063 9.560 11.143 12 HG SER 2 HG SER 2 67.337 11.027 10.428 13 H MET 3 HN MET 3 64.048 13.537 9.159 14 HA MET 3 HA MET 3 63.799 11.707 6.801 15 1HB MET 3 HB2 MET 3 62.263 13.613 5.934 16 2HB MET 3 HB1 MET 3 61.618 12.530 7.166 17 1HG MET 3 HG2 MET 3 63.063 15.013 8.027 18 2HG MET 3 HG1 MET 3 61.396 15.142 7.465 19 1HE MET 3 HE1 MET 3 59.965 15.655 9.158 20 2HE MET 3 HE3 MET 3 59.305 14.087 8.669 21 3HE MET 3 HE2 MET 3 59.404 14.512 10.376 22 H THR 4 HN THR 4 66.189 12.187 6.630 23 HA THR 4 HA THR 4 67.203 14.802 6.141 24 HB THR 4 HB THR 4 69.117 13.692 5.128 25 HG1 THR 4 HG1 THR 4 68.765 11.992 3.981 26 1HG2 THR 4 HG23 THR 4 67.932 12.013 7.360 27 2HG2 THR 4 HG22 THR 4 69.634 12.045 6.894 28 3HG2 THR 4 HG21 THR 4 68.877 13.487 7.571 29 H ASP 5 HN ASP 5 68.291 15.067 3.725 30 HA ASP 5 HA ASP 5 66.052 15.682 2.016 31 1HB ASP 5 HB2 ASP 5 69.013 15.560 1.363 32 2HB ASP 5 HB1 ASP 5 67.773 16.327 0.369 33 H GLN 6 HN GLN 6 68.651 13.230 1.786 34 HA GLN 6 HA GLN 6 67.785 12.005 -0.609 35 1HB GLN 6 HB2 GLN 6 69.604 11.380 1.543 36 2HB GLN 6 HB1 GLN 6 68.704 9.934 1.085 37 1HG GLN 6 HG2 GLN 6 69.489 9.979 -1.118 38 2HG GLN 6 HG1 GLN 6 69.877 11.699 -1.046 39 1HE2 GLN 6 HE22 GLN 6 72.453 9.538 1.267 40 2HE2 GLN 6 HE21 GLN 6 70.783 9.477 1.558 41 H GLN 7 HN GLN 7 66.814 11.342 2.757 42 HA GLN 7 HA GLN 7 64.917 9.279 1.957 43 1HB GLN 7 HB2 GLN 7 65.231 10.805 4.562 44 2HB GLN 7 HB1 GLN 7 64.174 9.412 4.331 45 1HG GLN 7 HG2 GLN 7 65.894 7.975 4.559 46 2HG GLN 7 HG1 GLN 7 66.856 8.852 3.369 47 1HE2 GLN 7 HE22 GLN 7 69.007 9.845 5.977 48 2HE2 GLN 7 HE21 GLN 7 68.846 9.100 4.461 49 H ALA 8 HN ALA 8 64.896 12.712 2.071 50 HA ALA 8 HA ALA 8 62.061 13.088 2.514 51 1HB ALA 8 HB3 ALA 8 64.362 14.739 2.041 52 2HB ALA 8 HB2 ALA 8 63.083 15.211 0.922 53 3HB ALA 8 HB1 ALA 8 62.780 15.214 2.659 54 H GLU 9 HN GLU 9 64.075 13.105 -0.448 55 HA GLU 9 HA GLU 9 61.778 13.294 -2.205 56 1HB GLU 9 HB2 GLU 9 64.567 13.486 -2.482 57 2HB GLU 9 HB1 GLU 9 64.105 12.085 -3.449 58 1HG GLU 9 HG2 GLU 9 64.000 14.173 -4.776 59 2HG GLU 9 HG1 GLU 9 62.409 13.431 -4.614 60 H ALA 10 HN ALA 10 63.650 10.648 -0.824 61 HA ALA 10 HA ALA 10 62.703 8.553 -2.510 62 1HB ALA 10 HB3 ALA 10 64.557 8.476 -0.716 63 2HB ALA 10 HB2 ALA 10 63.252 8.218 0.441 64 3HB ALA 10 HB1 ALA 10 63.522 7.057 -0.860 65 H ARG 11 HN ARG 11 61.486 9.613 0.690 66 HA ARG 11 HA ARG 11 59.161 7.911 0.577 67 1HB ARG 11 HB2 ARG 11 60.278 9.912 2.382 68 2HB ARG 11 HB1 ARG 11 58.522 10.041 2.265 69 1HG ARG 11 HG2 ARG 11 58.237 7.723 2.865 70 2HG ARG 11 HG1 ARG 11 59.972 7.428 2.756 71 1HD ARG 11 HD2 ARG 11 59.211 7.702 5.110 72 2HD ARG 11 HD1 ARG 11 60.382 8.933 4.639 73 HE ARG 11 HE ARG 11 58.066 10.227 4.113 74 1HH1 ARG 11 HH21 ARG 11 57.418 7.844 6.219 75 2HH1 ARG 11 HH22 ARG 11 57.149 8.834 7.614 76 1HH2 ARG 11 HH11 ARG 11 58.423 11.707 6.149 77 2HH2 ARG 11 HH12 ARG 11 57.717 11.020 7.575 78 H ALA 12 HN ALA 12 59.899 11.074 -0.691 79 HA ALA 12 HA ALA 12 57.136 11.897 -1.057 80 1HB ALA 12 HB1 ALA 12 59.388 13.305 -1.063 81 2HB ALA 12 HB3 ALA 12 59.343 12.946 -2.790 82 3HB ALA 12 HB2 ALA 12 58.006 13.814 -2.035 83 H PHE 13 HN PHE 13 59.423 9.960 -2.848 84 HA PHE 13 HA PHE 13 57.787 10.039 -5.301 85 1HB PHE 13 HB2 PHE 13 60.270 9.930 -5.432 86 2HB PHE 13 HB1 PHE 13 60.223 8.361 -4.630 87 HD1 PHE 13 HD2 PHE 13 58.913 6.468 -5.728 88 HD2 PHE 13 HD1 PHE 13 59.900 10.118 -7.766 89 HE1 PHE 13 HE2 PHE 13 58.500 5.363 -7.909 90 HE2 PHE 13 HE1 PHE 13 59.487 9.014 -9.947 91 HZ PHE 13 HZ PHE 13 58.786 6.634 -10.018 92 H LEU 14 HN LEU 14 58.417 7.896 -2.571 93 HA LEU 14 HA LEU 14 56.731 5.778 -3.775 94 1HB LEU 14 HB2 LEU 14 58.061 5.803 -1.053 95 2HB LEU 14 HB1 LEU 14 57.433 4.402 -1.922 96 HG LEU 14 HG LEU 14 59.627 6.154 -3.044 97 1HD1 LEU 14 HD11 LEU 14 59.885 4.650 -0.745 98 2HD1 LEU 14 HD13 LEU 14 60.382 3.512 -1.998 99 3HD1 LEU 14 HD12 LEU 14 61.207 5.063 -1.836 100 1HD2 LEU 14 HD23 LEU 14 58.051 3.977 -4.022 101 2HD2 LEU 14 HD22 LEU 14 59.373 4.813 -4.836 102 3HD2 LEU 14 HD21 LEU 14 59.708 3.404 -3.829 103 H SER 15 HN SER 15 54.681 5.264 -3.003 104 HA SER 15 HA SER 15 53.389 7.317 -1.325 105 1HB SER 15 HB2 SER 15 52.544 5.616 -3.420 106 2HB SER 15 HB1 SER 15 51.674 5.088 -1.983 107 HG SER 15 HG SER 15 50.545 6.762 -2.968 108 H GLU 16 HN GLU 16 52.142 6.708 0.594 109 HA GLU 16 HA GLU 16 53.566 5.045 2.408 110 1HB GLU 16 HB2 GLU 16 50.977 6.481 2.394 111 2HB GLU 16 HB1 GLU 16 51.069 5.110 3.501 112 1HG GLU 16 HG2 GLU 16 52.998 6.021 4.604 113 2HG GLU 16 HG1 GLU 16 53.186 7.268 3.371 114 H GLU 17 HN GLU 17 51.092 4.302 0.066 115 HA GLU 17 HA GLU 17 50.256 1.787 1.205 116 1HB GLU 17 HB2 GLU 17 49.903 3.230 -1.354 117 2HB GLU 17 HB1 GLU 17 49.811 1.471 -1.467 118 1HG GLU 17 HG2 GLU 17 47.641 1.783 -0.849 119 2HG GLU 17 HG1 GLU 17 48.318 1.920 0.773 120 H MET 18 HN MET 18 52.905 2.754 -0.909 121 HA MET 18 HA MET 18 53.663 -0.080 -1.334 122 1HB MET 18 HB2 MET 18 54.847 2.513 -2.369 123 2HB MET 18 HB1 MET 18 55.458 0.909 -2.773 124 1HG MET 18 HG2 MET 18 52.569 1.120 -3.152 125 2HG MET 18 HG1 MET 18 53.460 2.276 -4.142 126 1HE MET 18 HE2 MET 18 55.544 1.627 -5.585 127 2HE MET 18 HE1 MET 18 55.123 0.425 -6.802 128 3HE MET 18 HE3 MET 18 53.989 1.725 -6.405 129 H ILE 19 HN ILE 19 54.407 2.566 0.739 130 HA ILE 19 HA ILE 19 57.108 1.654 1.395 131 HB ILE 19 HB ILE 19 55.250 3.738 2.546 132 1HG1 ILE 19 HG12 ILE 19 57.930 4.548 1.798 133 2HG1 ILE 19 HG11 ILE 19 57.152 3.692 0.467 134 1HG2 ILE 19 HG21 ILE 19 57.864 2.685 3.627 135 2HG2 ILE 19 HG23 ILE 19 57.351 4.345 3.932 136 3HG2 ILE 19 HG22 ILE 19 56.362 2.998 4.497 137 1HD1 ILE 19 HD13 ILE 19 55.220 5.437 1.645 138 2HD1 ILE 19 HD12 ILE 19 56.687 6.368 1.346 139 3HD1 ILE 19 HD11 ILE 19 55.904 5.506 0.020 140 H ALA 20 HN ALA 20 53.853 1.255 2.705 141 HA ALA 20 HA ALA 20 54.620 0.099 5.212 142 1HB ALA 20 HB3 ALA 20 52.140 -0.033 3.507 143 2HB ALA 20 HB2 ALA 20 52.283 -1.038 4.950 144 3HB ALA 20 HB1 ALA 20 52.356 0.719 5.088 145 H GLU 21 HN GLU 21 54.418 -1.185 1.959 146 HA GLU 21 HA GLU 21 54.550 -3.978 2.801 147 1HB GLU 21 HB2 GLU 21 55.052 -2.674 0.107 148 2HB GLU 21 HB1 GLU 21 54.956 -4.412 0.382 149 1HG GLU 21 HG2 GLU 21 52.734 -2.468 1.071 150 2HG GLU 21 HG1 GLU 21 52.801 -3.398 -0.428 151 H PHE 22 HN PHE 22 56.861 -1.526 1.672 152 HA PHE 22 HA PHE 22 59.130 -3.212 1.403 153 1HB PHE 22 HB2 PHE 22 58.944 -0.312 2.277 154 2HB PHE 22 HB1 PHE 22 60.454 -1.126 1.860 155 HD1 PHE 22 HD1 PHE 22 59.499 -2.858 -0.392 156 HD2 PHE 22 HD2 PHE 22 58.712 1.265 0.518 157 HE1 PHE 22 HE1 PHE 22 59.077 -2.408 -2.793 158 HE2 PHE 22 HE2 PHE 22 58.290 1.716 -1.883 159 HZ PHE 22 HZ PHE 22 58.473 -0.121 -3.539 160 H LYS 23 HN LYS 23 57.700 -1.689 4.261 161 HA LYS 23 HA LYS 23 59.793 -2.219 6.105 162 1HB LYS 23 HB2 LYS 23 57.282 -1.099 6.262 163 2HB LYS 23 HB1 LYS 23 57.076 -2.595 7.174 164 1HG LYS 23 HG2 LYS 23 59.407 -0.726 7.641 165 2HG LYS 23 HG1 LYS 23 57.884 -0.573 8.516 166 1HD LYS 23 HD2 LYS 23 58.301 -3.205 8.871 167 2HD LYS 23 HD1 LYS 23 59.978 -2.680 8.715 168 1HE LYS 23 HE2 LYS 23 59.909 -1.417 10.644 169 2HE LYS 23 HE1 LYS 23 58.187 -1.073 10.483 170 1HZ LYS 23 HZ2 LYS 23 58.490 -3.829 10.786 171 2HZ LYS 23 HZ1 LYS 23 59.427 -3.084 11.991 172 3HZ LYS 23 HZ3 LYS 23 57.773 -2.730 11.865 173 H ALA 24 HN ALA 24 57.312 -4.317 4.758 174 HA ALA 24 HA ALA 24 57.501 -6.464 6.617 175 1HB ALA 24 HB3 ALA 24 56.158 -5.988 4.208 176 2HB ALA 24 HB2 ALA 24 57.186 -7.381 3.871 177 3HB ALA 24 HB1 ALA 24 56.034 -7.438 5.204 178 H ALA 25 HN ALA 25 59.456 -5.663 3.764 179 HA ALA 25 HA ALA 25 61.061 -8.085 3.954 180 1HB ALA 25 HB1 ALA 25 60.644 -6.455 1.911 181 2HB ALA 25 HB3 ALA 25 62.036 -5.606 2.578 182 3HB ALA 25 HB2 ALA 25 62.187 -7.292 2.082 183 H PHE 26 HN PHE 26 61.411 -4.714 5.010 184 HA PHE 26 HA PHE 26 64.077 -4.681 5.829 185 1HB PHE 26 HB2 PHE 26 62.366 -2.799 6.004 186 2HB PHE 26 HB1 PHE 26 61.827 -3.549 7.507 187 HD1 PHE 26 HD1 PHE 26 65.022 -2.533 5.816 188 HD2 PHE 26 HD2 PHE 26 62.820 -2.841 9.491 189 HE1 PHE 26 HE1 PHE 26 66.892 -1.444 7.026 190 HE2 PHE 26 HE2 PHE 26 64.691 -1.752 10.703 191 HZ PHE 26 HZ PHE 26 66.726 -1.053 9.470 192 H ASP 27 HN ASP 27 61.487 -5.230 8.233 193 HA ASP 27 HA ASP 27 63.167 -6.449 10.151 194 1HB ASP 27 HB2 ASP 27 60.285 -6.157 9.718 195 2HB ASP 27 HB1 ASP 27 60.700 -7.664 10.537 196 H MET 28 HN MET 28 61.759 -7.752 7.246 197 HA MET 28 HA MET 28 61.797 -10.522 7.867 198 1HB MET 28 HB2 MET 28 61.328 -8.954 5.587 199 2HB MET 28 HB1 MET 28 62.674 -10.005 5.146 200 1HG MET 28 HG2 MET 28 61.316 -11.939 6.096 201 2HG MET 28 HG1 MET 28 59.950 -10.825 6.173 202 1HE MET 28 HE1 MET 28 62.481 -12.693 4.297 203 2HE MET 28 HE3 MET 28 62.065 -12.624 2.579 204 3HE MET 28 HE2 MET 28 62.876 -11.261 3.349 205 H PHE 29 HN PHE 29 64.381 -8.404 6.623 206 HA PHE 29 HA PHE 29 66.307 -10.624 6.636 207 1HB PHE 29 HB2 PHE 29 67.043 -7.716 6.360 208 2HB PHE 29 HB1 PHE 29 67.816 -9.125 5.635 209 HD1 PHE 29 HD1 PHE 29 66.208 -10.578 4.075 210 HD2 PHE 29 HD2 PHE 29 65.640 -6.427 5.022 211 HE1 PHE 29 HE1 PHE 29 64.794 -10.311 2.055 212 HE2 PHE 29 HE2 PHE 29 64.227 -6.160 3.001 213 HZ PHE 29 HZ PHE 29 63.804 -8.100 1.518 214 H ASP 30 HN ASP 30 65.640 -7.710 8.566 215 HA ASP 30 HA ASP 30 67.562 -8.766 10.603 216 1HB ASP 30 HB2 ASP 30 68.289 -6.606 9.669 217 2HB ASP 30 HB1 ASP 30 66.729 -5.894 10.083 218 H ALA 31 HN ALA 31 65.438 -10.027 11.108 219 HA ALA 31 HA ALA 31 63.107 -8.875 12.122 220 1HB ALA 31 HB2 ALA 31 63.789 -11.380 11.929 221 2HB ALA 31 HB1 ALA 31 64.428 -11.171 13.560 222 3HB ALA 31 HB3 ALA 31 62.711 -10.908 13.245 223 H ASP 32 HN ASP 32 65.777 -9.946 14.252 224 HA ASP 32 HA ASP 32 64.874 -8.047 16.304 225 1HB ASP 32 HB2 ASP 32 67.015 -8.995 17.480 226 2HB ASP 32 HB1 ASP 32 65.609 -10.042 17.287 227 H GLY 33 HN GLY 33 68.309 -8.430 16.088 228 1HA GLY 33 HA2 GLY 33 69.976 -6.811 15.834 229 2HA GLY 33 HA1 GLY 33 69.079 -6.360 14.381 230 H GLY 34 HN GLY 34 70.142 -4.245 15.383 231 1HA GLY 34 HA2 GLY 34 68.502 -3.034 17.506 232 2HA GLY 34 HA1 GLY 34 69.866 -2.270 16.689 233 H GLY 35 HN GLY 35 67.582 -3.749 14.597 234 1HA GLY 35 HA2 GLY 35 65.593 -2.744 13.614 235 2HA GLY 35 HA1 GLY 35 66.140 -1.173 14.204 236 H ASP 36 HN ASP 36 68.450 -3.310 12.722 237 HA ASP 36 HA ASP 36 68.160 -2.100 10.061 238 1HB ASP 36 HB2 ASP 36 70.666 -1.373 10.224 239 2HB ASP 36 HB1 ASP 36 69.431 -0.316 10.911 240 H ILE 37 HN ILE 37 69.202 -3.353 8.479 241 HA ILE 37 HA ILE 37 70.486 -5.836 9.523 242 HB ILE 37 HB ILE 37 69.182 -6.972 8.079 243 1HG1 ILE 37 HG12 ILE 37 71.024 -6.461 6.397 244 2HG1 ILE 37 HG11 ILE 37 69.444 -6.821 5.698 245 1HG2 ILE 37 HG22 ILE 37 67.617 -5.041 8.507 246 2HG2 ILE 37 HG21 ILE 37 68.165 -4.340 6.984 247 3HG2 ILE 37 HG23 ILE 37 67.330 -5.892 6.989 248 1HD1 ILE 37 HD13 ILE 37 69.588 -4.008 6.260 249 2HD1 ILE 37 HD12 ILE 37 71.011 -4.478 5.331 250 3HD1 ILE 37 HD11 ILE 37 69.398 -4.808 4.701 251 H SER 38 HN SER 38 72.503 -6.472 8.698 252 HA SER 38 HA SER 38 74.301 -4.405 7.909 253 1HB SER 38 HB2 SER 38 74.848 -6.709 8.926 254 2HB SER 38 HB1 SER 38 74.710 -7.334 7.285 255 HG SER 38 HG SER 38 76.287 -5.734 6.691 256 H THR 39 HN THR 39 75.124 -3.847 5.835 257 HA THR 39 HA THR 39 73.288 -4.125 3.656 258 HB THR 39 HB THR 39 74.817 -2.875 2.369 259 HG1 THR 39 HG1 THR 39 76.712 -4.119 4.032 260 1HG2 THR 39 HG21 THR 39 74.451 -2.221 5.152 261 2HG2 THR 39 HG23 THR 39 76.015 -1.623 4.603 262 3HG2 THR 39 HG22 THR 39 74.542 -1.136 3.766 263 H LYS 40 HN LYS 40 75.826 -6.172 4.807 264 HA LYS 40 HA LYS 40 76.529 -7.505 2.392 265 1HB LYS 40 HB2 LYS 40 77.228 -9.368 3.810 266 2HB LYS 40 HB1 LYS 40 77.685 -7.851 4.584 267 1HG LYS 40 HG2 LYS 40 76.074 -8.046 6.238 268 2HG LYS 40 HG1 LYS 40 75.009 -9.026 5.232 269 1HD LYS 40 HD2 LYS 40 77.479 -10.437 5.586 270 2HD LYS 40 HD1 LYS 40 76.891 -9.926 7.167 271 1HE LYS 40 HE2 LYS 40 74.784 -10.975 5.402 272 2HE LYS 40 HE1 LYS 40 76.019 -12.162 5.823 273 1HZ LYS 40 HZ3 LYS 40 75.698 -11.576 8.163 274 2HZ LYS 40 HZ2 LYS 40 74.458 -10.500 7.725 275 3HZ LYS 40 HZ1 LYS 40 74.272 -12.167 7.460 276 H ALA 41 HN ALA 41 73.677 -7.638 4.385 277 HA ALA 41 HA ALA 41 72.656 -10.049 3.018 278 1HB ALA 41 HB1 ALA 41 71.442 -8.237 5.126 279 2HB ALA 41 HB3 ALA 41 70.653 -9.677 4.479 280 3HB ALA 41 HB2 ALA 41 72.155 -9.828 5.393 281 H LEU 42 HN LEU 42 72.495 -6.597 2.753 282 HA LEU 42 HA LEU 42 70.023 -6.099 1.600 283 1HB LEU 42 HB2 LEU 42 72.687 -4.915 1.410 284 2HB LEU 42 HB1 LEU 42 71.790 -4.744 -0.096 285 HG LEU 42 HG LEU 42 71.231 -2.819 1.176 286 1HD1 LEU 42 HD12 LEU 42 69.279 -4.742 0.564 287 2HD1 LEU 42 HD11 LEU 42 68.864 -4.155 2.175 288 3HD1 LEU 42 HD13 LEU 42 69.020 -3.019 0.835 289 1HD2 LEU 42 HD21 LEU 42 71.416 -4.721 3.428 290 2HD2 LEU 42 HD23 LEU 42 71.816 -3.003 3.365 291 3HD2 LEU 42 HD22 LEU 42 70.140 -3.512 3.581 292 H GLY 43 HN GLY 43 72.858 -7.577 0.048 293 1HA GLY 43 HA2 GLY 43 72.003 -7.744 -2.599 294 2HA GLY 43 HA1 GLY 43 72.947 -9.013 -1.816 295 H THR 44 HN THR 44 71.207 -10.037 0.033 296 HA THR 44 HA THR 44 69.479 -11.679 -1.556 297 HB THR 44 HB THR 44 69.613 -11.148 1.425 298 HG1 THR 44 HG1 THR 44 70.211 -13.544 1.046 299 1HG2 THR 44 HG21 THR 44 67.668 -12.718 -0.199 300 2HG2 THR 44 HG23 THR 44 68.255 -13.454 1.291 301 3HG2 THR 44 HG22 THR 44 67.439 -11.892 1.342 302 H VAL 45 HN VAL 45 68.971 -8.746 0.333 303 HA VAL 45 HA VAL 45 66.109 -8.693 0.170 304 HB VAL 45 HB VAL 45 68.071 -6.384 0.353 305 1HG1 VAL 45 HG13 VAL 45 65.104 -6.637 0.557 306 2HG1 VAL 45 HG12 VAL 45 65.910 -5.528 1.665 307 3HG1 VAL 45 HG11 VAL 45 66.076 -5.309 -0.078 308 1HG2 VAL 45 HG23 VAL 45 67.004 -8.362 2.309 309 2HG2 VAL 45 HG22 VAL 45 68.562 -7.538 2.285 310 3HG2 VAL 45 HG21 VAL 45 67.123 -6.689 2.850 311 H MET 46 HN MET 46 68.599 -8.058 -2.144 312 HA MET 46 HA MET 46 67.191 -6.246 -3.857 313 1HB MET 46 HB2 MET 46 69.234 -8.343 -4.648 314 2HB MET 46 HB1 MET 46 68.804 -6.899 -5.564 315 1HG MET 46 HG2 MET 46 70.119 -6.981 -2.835 316 2HG MET 46 HG1 MET 46 70.863 -6.460 -4.347 317 1HE MET 46 HE1 MET 46 71.042 -4.268 -5.079 318 2HE MET 46 HE3 MET 46 70.591 -2.882 -4.076 319 3HE MET 46 HE2 MET 46 71.611 -4.157 -3.414 320 H ARG 47 HN ARG 47 67.853 -9.675 -4.634 321 HA ARG 47 HA ARG 47 65.669 -9.843 -6.487 322 1HB ARG 47 HB2 ARG 47 67.622 -11.369 -6.540 323 2HB ARG 47 HB1 ARG 47 67.096 -12.080 -5.013 324 1HG ARG 47 HG2 ARG 47 65.276 -13.145 -5.973 325 2HG ARG 47 HG1 ARG 47 65.140 -11.965 -7.278 326 1HD ARG 47 HD2 ARG 47 66.811 -12.966 -8.541 327 2HD ARG 47 HD1 ARG 47 67.607 -13.659 -7.129 328 HE ARG 47 HE ARG 47 65.483 -15.183 -7.057 329 1HH1 ARG 47 HH11 ARG 47 63.869 -15.181 -9.111 330 2HH1 ARG 47 HH12 ARG 47 64.669 -15.845 -10.497 331 1HH2 ARG 47 HH21 ARG 47 67.852 -15.459 -9.174 332 2HH2 ARG 47 HH22 ARG 47 66.924 -16.002 -10.533 333 H MET 48 HN MET 48 65.694 -9.791 -3.097 334 HA MET 48 HA MET 48 63.475 -11.587 -2.607 335 1HB MET 48 HB2 MET 48 65.151 -9.766 -1.058 336 2HB MET 48 HB1 MET 48 63.462 -9.707 -0.550 337 1HG MET 48 HG2 MET 48 64.940 -12.314 -0.957 338 2HG MET 48 HG1 MET 48 64.908 -11.477 0.595 339 1HE MET 48 HE3 MET 48 62.817 -10.533 1.588 340 2HE MET 48 HE2 MET 48 61.792 -10.154 0.207 341 3HE MET 48 HE1 MET 48 61.197 -11.233 1.465 342 H LEU 49 HN LEU 49 63.731 -8.342 -3.785 343 HA LEU 49 HA LEU 49 60.787 -7.988 -3.386 344 1HB LEU 49 HB2 LEU 49 62.673 -5.747 -4.090 345 2HB LEU 49 HB1 LEU 49 61.103 -5.660 -3.290 346 HG LEU 49 HG LEU 49 63.592 -6.908 -2.093 347 1HD1 LEU 49 HD11 LEU 49 62.493 -4.165 -2.090 348 2HD1 LEU 49 HD13 LEU 49 62.917 -4.794 -0.499 349 3HD1 LEU 49 HD12 LEU 49 64.136 -4.718 -1.771 350 1HD2 LEU 49 HD22 LEU 49 61.269 -7.783 -1.425 351 2HD2 LEU 49 HD21 LEU 49 62.302 -7.212 -0.114 352 3HD2 LEU 49 HD23 LEU 49 60.996 -6.191 -0.717 353 H GLY 50 HN GLY 50 63.424 -7.992 -5.708 354 1HA GLY 50 HA2 GLY 50 62.520 -8.855 -7.976 355 2HA GLY 50 HA1 GLY 50 61.454 -7.453 -7.888 356 H GLN 51 HN GLN 51 64.840 -7.525 -6.855 357 HA GLN 51 HA GLN 51 65.439 -5.611 -9.077 358 1HB GLN 51 HB2 GLN 51 65.515 -5.075 -6.362 359 2HB GLN 51 HB1 GLN 51 67.196 -5.457 -6.732 360 1HG GLN 51 HG2 GLN 51 67.477 -3.513 -7.836 361 2HG GLN 51 HG1 GLN 51 66.022 -3.779 -8.796 362 1HE2 GLN 51 HE22 GLN 51 65.875 -1.349 -5.532 363 2HE2 GLN 51 HE21 GLN 51 67.296 -2.188 -5.929 364 H ASN 52 HN ASN 52 67.112 -6.207 -10.389 365 HA ASN 52 HA ASN 52 69.022 -8.265 -9.374 366 1HB ASN 52 HB2 ASN 52 67.064 -8.619 -11.419 367 2HB ASN 52 HB1 ASN 52 68.648 -8.589 -12.196 368 1HD2 ASN 52 HD22 ASN 52 69.789 -11.394 -10.049 369 2HD2 ASN 52 HD21 ASN 52 70.319 -9.818 -10.392 370 HA PRO 53 HA PRO 53 71.085 -4.621 -11.408 371 1HB PRO 53 HB2 PRO 53 72.397 -3.735 -9.159 372 2HB PRO 53 HB1 PRO 53 70.790 -3.167 -9.643 373 1HG PRO 53 HG2 PRO 53 71.534 -5.046 -7.450 374 2HG PRO 53 HG1 PRO 53 70.123 -3.983 -7.585 375 1HD PRO 53 HD2 PRO 53 70.148 -6.771 -8.065 376 2HD PRO 53 HD1 PRO 53 68.849 -5.646 -8.516 377 H THR 54 HN THR 54 73.607 -4.209 -11.247 378 HA THR 54 HA THR 54 74.895 -6.862 -11.340 379 HB THR 54 HB THR 54 76.887 -5.133 -11.951 380 HG1 THR 54 HG1 THR 54 75.623 -3.545 -13.301 381 1HG2 THR 54 HG21 THR 54 74.756 -6.502 -13.486 382 2HG2 THR 54 HG23 THR 54 75.650 -5.258 -14.360 383 3HG2 THR 54 HG22 THR 54 76.509 -6.620 -13.641 384 H LYS 55 HN LYS 55 76.537 -7.511 -9.932 385 HA LYS 55 HA LYS 55 76.555 -6.672 -7.275 386 1HB LYS 55 HB2 LYS 55 78.078 -8.452 -8.868 387 2HB LYS 55 HB1 LYS 55 79.236 -7.434 -8.012 388 1HG LYS 55 HG2 LYS 55 78.283 -8.003 -5.878 389 2HG LYS 55 HG1 LYS 55 76.911 -8.806 -6.642 390 1HD LYS 55 HD2 LYS 55 78.061 -10.734 -6.777 391 2HD LYS 55 HD1 LYS 55 79.365 -9.931 -7.652 392 1HE LYS 55 HE2 LYS 55 80.159 -9.061 -5.381 393 2HE LYS 55 HE1 LYS 55 79.037 -10.216 -4.660 394 1HZ LYS 55 HZ2 LYS 55 80.569 -11.460 -6.688 395 2HZ LYS 55 HZ1 LYS 55 81.600 -10.716 -5.561 396 3HZ LYS 55 HZ3 LYS 55 80.456 -11.854 -5.040 397 H GLU 56 HN GLU 56 78.734 -5.555 -9.877 398 HA GLU 56 HA GLU 56 80.320 -3.790 -8.364 399 1HB GLU 56 HB2 GLU 56 79.335 -3.240 -11.175 400 2HB GLU 56 HB1 GLU 56 80.839 -2.685 -10.438 401 1HG GLU 56 HG2 GLU 56 81.107 -5.357 -10.078 402 2HG GLU 56 HG1 GLU 56 80.154 -5.344 -11.563 403 H GLU 57 HN GLU 57 77.128 -3.219 -9.837 404 HA GLU 57 HA GLU 57 77.049 -0.433 -8.998 405 1HB GLU 57 HB2 GLU 57 75.380 -2.263 -10.521 406 2HB GLU 57 HB1 GLU 57 74.415 -1.297 -9.404 407 1HG GLU 57 HG2 GLU 57 74.707 -0.173 -11.607 408 2HG GLU 57 HG1 GLU 57 75.400 0.762 -10.283 409 H LEU 58 HN LEU 58 76.309 -3.478 -7.512 410 HA LEU 58 HA LEU 58 74.457 -2.471 -5.530 411 1HB LEU 58 HB2 LEU 58 75.148 -4.960 -6.317 412 2HB LEU 58 HB1 LEU 58 76.161 -4.819 -4.881 413 HG LEU 58 HG LEU 58 73.286 -3.980 -4.720 414 1HD1 LEU 58 HD13 LEU 58 74.332 -6.746 -5.079 415 2HD1 LEU 58 HD12 LEU 58 73.114 -6.513 -3.826 416 3HD1 LEU 58 HD11 LEU 58 72.755 -6.078 -5.497 417 1HD2 LEU 58 HD22 LEU 58 74.869 -3.580 -2.846 418 2HD2 LEU 58 HD21 LEU 58 73.594 -4.710 -2.390 419 3HD2 LEU 58 HD23 LEU 58 75.206 -5.311 -2.778 420 H ASP 59 HN ASP 59 77.956 -3.215 -5.451 421 HA ASP 59 HA ASP 59 78.392 -2.444 -2.751 422 1HB ASP 59 HB2 ASP 59 80.720 -2.381 -3.294 423 2HB ASP 59 HB1 ASP 59 80.020 -3.636 -4.317 424 H ALA 60 HN ALA 60 78.578 -0.512 -5.751 425 HA ALA 60 HA ALA 60 79.339 1.928 -4.440 426 1HB ALA 60 HB3 ALA 60 78.843 1.083 -7.091 427 2HB ALA 60 HB2 ALA 60 77.727 2.415 -6.788 428 3HB ALA 60 HB1 ALA 60 79.460 2.650 -6.570 429 H ILE 61 HN ILE 61 76.202 0.479 -5.219 430 HA ILE 61 HA ILE 61 74.563 2.708 -4.546 431 HB ILE 61 HB ILE 61 74.106 -0.279 -4.487 432 1HG1 ILE 61 HG12 ILE 61 72.764 1.834 -6.178 433 2HG1 ILE 61 HG11 ILE 61 74.318 1.139 -6.639 434 1HG2 ILE 61 HG22 ILE 61 72.153 1.941 -3.813 435 2HG2 ILE 61 HG21 ILE 61 71.679 0.281 -4.175 436 3HG2 ILE 61 HG23 ILE 61 72.665 0.625 -2.754 437 1HD1 ILE 61 HD11 ILE 61 72.921 -1.122 -6.059 438 2HD1 ILE 61 HD13 ILE 61 71.622 -0.086 -6.654 439 3HD1 ILE 61 HD12 ILE 61 73.018 -0.425 -7.676 440 H ILE 62 HN ILE 62 75.900 0.094 -2.537 441 HA ILE 62 HA ILE 62 74.578 0.819 -0.107 442 HB ILE 62 HB ILE 62 77.298 -0.476 -0.484 443 1HG1 ILE 62 HG12 ILE 62 74.851 -2.033 0.195 444 2HG1 ILE 62 HG11 ILE 62 74.971 -1.435 -1.461 445 1HG2 ILE 62 HG22 ILE 62 76.634 0.482 1.818 446 2HG2 ILE 62 HG21 ILE 62 75.407 -0.786 1.851 447 3HG2 ILE 62 HG23 ILE 62 77.116 -1.214 1.761 448 1HD1 ILE 62 HD13 ILE 62 77.524 -2.483 -0.690 449 2HD1 ILE 62 HD12 ILE 62 76.288 -3.687 -0.319 450 3HD1 ILE 62 HD11 ILE 62 76.444 -3.058 -1.959 451 H GLU 63 HN GLU 63 77.633 1.883 -1.568 452 HA GLU 63 HA GLU 63 78.512 3.455 0.670 453 1HB GLU 63 HB2 GLU 63 79.538 2.757 -1.827 454 2HB GLU 63 HB1 GLU 63 79.334 4.507 -1.924 455 1HG GLU 63 HG2 GLU 63 80.565 3.318 0.540 456 2HG GLU 63 HG1 GLU 63 81.550 3.497 -0.913 457 H GLU 64 HN GLU 64 76.185 4.031 -1.866 458 HA GLU 64 HA GLU 64 76.107 6.928 -1.233 459 1HB GLU 64 HB2 GLU 64 74.735 5.238 -3.336 460 2HB GLU 64 HB1 GLU 64 74.366 6.945 -3.085 461 1HG GLU 64 HG2 GLU 64 76.991 7.214 -3.248 462 2HG GLU 64 HG1 GLU 64 76.882 5.684 -4.118 463 H VAL 65 HN VAL 65 74.592 4.023 -0.296 464 HA VAL 65 HA VAL 65 72.055 5.356 0.448 465 HB VAL 65 HB VAL 65 73.046 2.502 0.610 466 1HG1 VAL 65 HG12 VAL 65 70.793 3.846 2.030 467 2HG1 VAL 65 HG11 VAL 65 70.470 2.262 1.321 468 3HG1 VAL 65 HG13 VAL 65 71.754 2.449 2.516 469 1HG2 VAL 65 HG23 VAL 65 71.572 4.069 -1.284 470 2HG2 VAL 65 HG22 VAL 65 72.007 2.364 -1.384 471 3HG2 VAL 65 HG21 VAL 65 70.492 2.843 -0.620 472 H ASP 66 HN ASP 66 75.074 4.332 1.871 473 HA ASP 66 HA ASP 66 74.019 4.714 4.614 474 1HB ASP 66 HB2 ASP 66 75.942 3.027 3.591 475 2HB ASP 66 HB1 ASP 66 76.917 4.322 4.288 476 H GLU 67 HN GLU 67 73.633 7.076 3.779 477 HA GLU 67 HA GLU 67 75.899 8.822 3.469 478 1HB GLU 67 HB2 GLU 67 74.282 10.641 3.798 479 2HB GLU 67 HB1 GLU 67 73.606 9.418 2.724 480 1HG GLU 67 HG2 GLU 67 71.994 8.815 4.216 481 2HG GLU 67 HG1 GLU 67 73.084 8.964 5.595 482 H ASP 68 HN ASP 68 74.550 7.274 6.204 483 HA ASP 68 HA ASP 68 75.402 9.303 8.138 484 1HB ASP 68 HB2 ASP 68 74.756 6.433 8.801 485 2HB ASP 68 HB1 ASP 68 74.523 7.870 9.796 486 H GLY 69 HN GLY 69 76.906 6.782 6.400 487 1HA GLY 69 HA2 GLY 69 79.066 5.875 6.524 488 2HA GLY 69 HA1 GLY 69 79.487 7.302 7.475 489 H SER 70 HN SER 70 76.888 5.474 8.747 490 HA SER 70 HA SER 70 78.414 4.814 11.125 491 1HB SER 70 HB2 SER 70 76.151 3.373 11.431 492 2HB SER 70 HB1 SER 70 76.226 5.105 11.741 493 HG SER 70 HG SER 70 74.520 4.270 10.266 494 H GLY 71 HN GLY 71 77.325 3.038 8.270 495 1HA GLY 71 HA2 GLY 71 78.720 1.143 7.510 496 2HA GLY 71 HA1 GLY 71 78.986 0.737 9.206 497 H THR 72 HN THR 72 75.800 1.727 8.677 498 HA THR 72 HA THR 72 74.849 -1.014 8.052 499 HB THR 72 HB THR 72 73.182 -0.684 10.025 500 HG1 THR 72 HG1 THR 72 73.553 0.996 11.196 501 1HG2 THR 72 HG23 THR 72 75.963 -1.644 9.961 502 2HG2 THR 72 HG22 THR 72 75.358 -1.305 11.582 503 3HG2 THR 72 HG21 THR 72 74.507 -2.450 10.545 504 H ILE 73 HN ILE 73 72.330 -0.926 7.889 505 HA ILE 73 HA ILE 73 71.537 1.726 6.748 506 HB ILE 73 HB ILE 73 71.014 -1.061 5.696 507 1HG1 ILE 73 HG12 ILE 73 72.474 1.408 4.769 508 2HG1 ILE 73 HG11 ILE 73 73.037 -0.262 4.803 509 1HG2 ILE 73 HG22 ILE 73 69.733 1.565 4.862 510 2HG2 ILE 73 HG21 ILE 73 69.531 0.021 4.036 511 3HG2 ILE 73 HG23 ILE 73 68.908 0.232 5.672 512 1HD1 ILE 73 HD13 ILE 73 70.855 0.781 2.977 513 2HD1 ILE 73 HD12 ILE 73 72.532 0.532 2.493 514 3HD1 ILE 73 HD11 ILE 73 71.536 -0.845 2.969 515 H ASP 74 HN ASP 74 69.212 2.166 6.877 516 HA ASP 74 HA ASP 74 67.752 0.477 8.856 517 1HB ASP 74 HB2 ASP 74 68.276 3.445 8.969 518 2HB ASP 74 HB1 ASP 74 66.850 2.751 9.743 519 H PHE 75 HN PHE 75 65.333 1.268 8.886 520 HA PHE 75 HA PHE 75 64.189 0.864 6.360 521 1HB PHE 75 HB2 PHE 75 63.076 0.896 8.705 522 2HB PHE 75 HB1 PHE 75 62.862 2.623 8.418 523 HD1 PHE 75 HD2 PHE 75 62.730 -0.241 6.020 524 HD2 PHE 75 HD1 PHE 75 60.571 2.918 7.968 525 HE1 PHE 75 HE2 PHE 75 60.752 -0.721 4.602 526 HE2 PHE 75 HE1 PHE 75 58.591 2.439 6.551 527 HZ PHE 75 HZ PHE 75 58.682 0.621 4.868 528 H GLU 76 HN GLU 76 65.120 3.914 7.918 529 HA GLU 76 HA GLU 76 63.966 5.700 6.038 530 1HB GLU 76 HB2 GLU 76 66.626 6.087 7.438 531 2HB GLU 76 HB1 GLU 76 65.527 7.343 6.869 532 1HG GLU 76 HG2 GLU 76 65.086 5.393 9.141 533 2HG GLU 76 HG1 GLU 76 65.155 7.152 9.228 534 H GLU 77 HN GLU 77 67.402 4.672 6.138 535 HA GLU 77 HA GLU 77 67.937 5.607 3.472 536 1HB GLU 77 HB2 GLU 77 69.429 3.463 5.013 537 2HB GLU 77 HB1 GLU 77 70.056 4.445 3.690 538 1HG GLU 77 HG2 GLU 77 70.054 6.417 4.996 539 2HG GLU 77 HG1 GLU 77 68.982 5.714 6.207 540 H PHE 78 HN PHE 78 66.167 2.953 4.572 541 HA PHE 78 HA PHE 78 66.847 0.994 2.576 542 1HB PHE 78 HB2 PHE 78 65.193 1.064 4.797 543 2HB PHE 78 HB1 PHE 78 64.049 0.976 3.457 544 HD1 PHE 78 HD1 PHE 78 67.013 -0.661 4.994 545 HD2 PHE 78 HD2 PHE 78 63.804 -1.012 2.161 546 HE1 PHE 78 HE1 PHE 78 67.518 -3.074 4.723 547 HE2 PHE 78 HE2 PHE 78 64.310 -3.426 1.887 548 HZ PHE 78 HZ PHE 78 66.166 -4.456 3.170 549 H LEU 79 HN LEU 79 63.966 3.112 2.800 550 HA LEU 79 HA LEU 79 63.018 2.628 0.179 551 1HB LEU 79 HB2 LEU 79 62.826 5.245 1.706 552 2HB LEU 79 HB1 LEU 79 61.757 4.701 0.412 553 HG LEU 79 HG LEU 79 62.123 3.056 2.914 554 1HD1 LEU 79 HD12 LEU 79 60.660 5.606 2.558 555 2HD1 LEU 79 HD11 LEU 79 59.734 4.302 3.299 556 3HD1 LEU 79 HD13 LEU 79 61.244 4.839 4.034 557 1HD2 LEU 79 HD23 LEU 79 60.696 2.778 0.473 558 2HD2 LEU 79 HD22 LEU 79 60.624 1.727 1.887 559 3HD2 LEU 79 HD21 LEU 79 59.499 3.076 1.732 560 H VAL 80 HN VAL 80 65.757 4.417 1.274 561 HA VAL 80 HA VAL 80 66.024 6.186 -0.995 562 HB VAL 80 HB VAL 80 67.993 5.152 1.061 563 1HG1 VAL 80 HG11 VAL 80 68.486 6.454 -1.500 564 2HG1 VAL 80 HG13 VAL 80 69.075 7.427 -0.150 565 3HG1 VAL 80 HG12 VAL 80 69.640 5.770 -0.356 566 1HG2 VAL 80 HG22 VAL 80 66.018 7.167 1.078 567 2HG2 VAL 80 HG21 VAL 80 67.289 6.915 2.275 568 3HG2 VAL 80 HG23 VAL 80 67.560 8.011 0.922 569 H MET 81 HN MET 81 67.642 3.101 -0.153 570 HA MET 81 HA MET 81 69.149 2.808 -2.514 571 1HB MET 81 HB2 MET 81 69.102 1.329 -0.385 572 2HB MET 81 HB1 MET 81 67.789 0.466 -1.186 573 1HG MET 81 HG2 MET 81 69.207 -0.061 -3.078 574 2HG MET 81 HG1 MET 81 70.502 0.957 -2.445 575 1HE MET 81 HE1 MET 81 71.009 0.864 -0.029 576 2HE MET 81 HE3 MET 81 71.392 -0.613 0.866 577 3HE MET 81 HE2 MET 81 72.387 -0.124 -0.505 578 H MET 82 HN MET 82 65.722 2.299 -1.946 579 HA MET 82 HA MET 82 65.186 0.798 -4.342 580 1HB MET 82 HB2 MET 82 63.430 2.559 -2.613 581 2HB MET 82 HB1 MET 82 62.817 1.623 -3.977 582 1HG MET 82 HG2 MET 82 64.277 0.480 -1.578 583 2HG MET 82 HG1 MET 82 62.538 0.384 -1.860 584 1HE MET 82 HE2 MET 82 65.658 -1.127 -1.895 585 2HE MET 82 HE1 MET 82 65.771 -2.332 -3.178 586 3HE MET 82 HE3 MET 82 66.108 -0.629 -3.525 587 H VAL 83 HN VAL 83 64.352 4.220 -3.660 588 HA VAL 83 HA VAL 83 63.785 4.939 -6.326 589 HB VAL 83 HB VAL 83 65.102 6.773 -4.310 590 1HG1 VAL 83 HG11 VAL 83 64.236 7.198 -6.908 591 2HG1 VAL 83 HG13 VAL 83 62.859 7.726 -5.940 592 3HG1 VAL 83 HG12 VAL 83 64.448 8.450 -5.684 593 1HG2 VAL 83 HG21 VAL 83 62.699 5.254 -4.018 594 2HG2 VAL 83 HG23 VAL 83 63.324 6.511 -2.950 595 3HG2 VAL 83 HG22 VAL 83 62.241 6.938 -4.274 596 H ARG 84 HN ARG 84 66.861 4.426 -4.770 597 HA ARG 84 HA ARG 84 68.517 5.915 -6.560 598 1HB ARG 84 HB2 ARG 84 68.895 3.733 -4.594 599 2HB ARG 84 HB1 ARG 84 70.112 3.820 -5.867 600 1HG ARG 84 HG2 ARG 84 70.047 6.410 -5.286 601 2HG ARG 84 HG1 ARG 84 69.451 5.817 -3.737 602 1HD ARG 84 HD2 ARG 84 71.529 5.210 -3.133 603 2HD ARG 84 HD1 ARG 84 71.675 4.194 -4.568 604 HE ARG 84 HE ARG 84 72.599 7.002 -4.338 605 1HH1 ARG 84 HH21 ARG 84 72.523 7.663 -6.762 606 2HH1 ARG 84 HH22 ARG 84 73.419 6.577 -7.773 607 1HH2 ARG 84 HH11 ARG 84 73.583 4.069 -5.386 608 2HH2 ARG 84 HH12 ARG 84 74.019 4.542 -6.993 609 H GLN 85 HN GLN 85 67.257 2.596 -6.705 610 HA GLN 85 HA GLN 85 68.670 1.972 -9.172 611 1HB GLN 85 HB2 GLN 85 67.165 0.540 -7.248 612 2HB GLN 85 HB1 GLN 85 66.315 0.349 -8.782 613 1HG GLN 85 HG2 GLN 85 69.235 -0.253 -8.232 614 2HG GLN 85 HG1 GLN 85 67.966 -1.416 -8.618 615 1HE2 GLN 85 HE22 GLN 85 70.004 -0.040 -11.664 616 2HE2 GLN 85 HE21 GLN 85 70.565 -0.256 -10.076 617 H MET 86 HN MET 86 65.447 3.165 -8.326 618 HA MET 86 HA MET 86 64.662 3.158 -11.184 619 1HB MET 86 HB2 MET 86 63.157 3.889 -8.654 620 2HB MET 86 HB1 MET 86 62.471 3.999 -10.276 621 1HG MET 86 HG2 MET 86 63.085 1.546 -10.570 622 2HG MET 86 HG1 MET 86 63.430 1.514 -8.840 623 1HE MET 86 HE1 MET 86 62.235 1.558 -7.175 624 2HE MET 86 HE3 MET 86 60.917 2.734 -7.075 625 3HE MET 86 HE2 MET 86 60.566 1.008 -7.061 626 H LYS 87 HN LYS 87 66.806 4.933 -10.113 627 HA LYS 87 HA LYS 87 65.589 7.620 -10.208 628 1HB LYS 87 HB2 LYS 87 68.136 6.465 -9.342 629 2HB LYS 87 HB1 LYS 87 68.348 7.942 -10.286 630 1HG LYS 87 HG2 LYS 87 66.405 7.719 -7.974 631 2HG LYS 87 HG1 LYS 87 68.057 8.308 -7.795 632 1HD LYS 87 HD2 LYS 87 67.479 10.337 -8.579 633 2HD LYS 87 HD1 LYS 87 66.768 9.621 -10.026 634 1HE LYS 87 HE2 LYS 87 64.939 8.984 -8.040 635 2HE LYS 87 HE1 LYS 87 65.453 10.614 -7.610 636 1HZ LYS 87 HZ2 LYS 87 65.127 10.595 -10.355 637 2HZ LYS 87 HZ1 LYS 87 63.774 9.784 -9.726 638 3HZ LYS 87 HZ3 LYS 87 64.134 11.358 -9.206 639 H GLU 88 HN GLU 88 68.092 5.838 -12.054 640 HA GLU 88 HA GLU 88 68.446 7.694 -14.131 641 1HB GLU 88 HB2 GLU 88 68.944 4.846 -13.727 642 2HB GLU 88 HB1 GLU 88 68.542 5.212 -15.404 643 1HG GLU 88 HG2 GLU 88 70.570 6.826 -13.851 644 2HG GLU 88 HG1 GLU 88 71.018 5.392 -14.774 645 H ASP 89 HN ASP 89 66.717 4.717 -14.949 646 HA ASP 89 HA ASP 89 64.491 6.389 -16.033 647 1HB ASP 89 HB2 ASP 89 64.443 4.678 -17.952 648 2HB ASP 89 HB1 ASP 89 65.759 5.854 -17.973 649 H ALA 90 HN ALA 90 62.669 5.754 -14.996 650 HA ALA 90 HA ALA 90 61.660 3.104 -15.047 651 1HB ALA 90 HB3 ALA 90 63.700 3.295 -13.188 652 2HB ALA 90 HB2 ALA 90 62.256 3.552 -12.208 653 3HB ALA 90 HB1 ALA 90 62.419 2.082 -13.171 No H/Q in entry = 653 Start of MODEL 38 1 1H ALA 1 HT1 ALA 1 72.461 15.717 9.848 2 2H ALA 1 HT3 ALA 1 73.556 16.174 8.636 3 3H ALA 1 HT2 ALA 1 71.884 16.335 8.374 4 HA ALA 1 HA ALA 1 72.724 14.416 7.191 5 1HB ALA 1 HB2 ALA 1 74.317 14.161 9.498 6 2HB ALA 1 HB1 ALA 1 73.240 12.764 9.517 7 3HB ALA 1 HB3 ALA 1 74.271 13.065 8.118 8 H SER 2 HN SER 2 70.619 15.327 9.602 9 HA SER 2 HA SER 2 69.140 12.847 9.926 10 1HB SER 2 HB2 SER 2 69.103 15.408 11.101 11 2HB SER 2 HB1 SER 2 67.527 15.214 10.339 12 HG SER 2 HG SER 2 68.788 13.358 12.086 13 H MET 3 HN MET 3 67.479 12.080 8.674 14 HA MET 3 HA MET 3 66.307 11.817 6.638 15 1HB MET 3 HB2 MET 3 64.592 13.582 6.344 16 2HB MET 3 HB1 MET 3 64.720 13.073 8.028 17 1HG MET 3 HG2 MET 3 66.014 15.018 8.601 18 2HG MET 3 HG1 MET 3 66.199 15.466 6.906 19 1HE MET 3 HE1 MET 3 64.045 14.790 9.801 20 2HE MET 3 HE3 MET 3 64.243 16.534 10.031 21 3HE MET 3 HE2 MET 3 62.650 15.859 9.693 22 H THR 4 HN THR 4 68.789 12.306 5.831 23 HA THR 4 HA THR 4 69.543 14.621 4.516 24 HB THR 4 HB THR 4 70.791 13.215 2.948 25 HG1 THR 4 HG1 THR 4 70.255 11.159 2.605 26 1HG2 THR 4 HG22 THR 4 70.854 12.996 5.773 27 2HG2 THR 4 HG21 THR 4 71.113 11.373 5.132 28 3HG2 THR 4 HG23 THR 4 72.172 12.695 4.640 29 H ASP 5 HN ASP 5 69.256 15.379 2.305 30 HA ASP 5 HA ASP 5 66.581 15.538 1.435 31 1HB ASP 5 HB2 ASP 5 69.221 16.230 0.333 32 2HB ASP 5 HB1 ASP 5 68.005 15.886 -0.898 33 H GLN 6 HN GLN 6 69.041 13.126 0.724 34 HA GLN 6 HA GLN 6 67.883 11.897 -1.544 35 1HB GLN 6 HB2 GLN 6 69.300 10.535 0.770 36 2HB GLN 6 HB1 GLN 6 69.076 9.865 -0.845 37 1HG GLN 6 HG2 GLN 6 70.237 12.515 -1.001 38 2HG GLN 6 HG1 GLN 6 71.215 11.469 0.029 39 1HE2 GLN 6 HE22 GLN 6 72.025 9.193 -2.642 40 2HE2 GLN 6 HE21 GLN 6 71.793 9.269 -0.962 41 H GLN 7 HN GLN 7 67.184 11.409 1.915 42 HA GLN 7 HA GLN 7 65.160 9.378 1.370 43 1HB GLN 7 HB2 GLN 7 65.684 10.991 3.886 44 2HB GLN 7 HB1 GLN 7 64.671 9.551 3.776 45 1HG GLN 7 HG2 GLN 7 66.596 8.202 3.114 46 2HG GLN 7 HG1 GLN 7 67.626 9.633 3.103 47 1HE2 GLN 7 HE22 GLN 7 67.825 7.788 6.435 48 2HE2 GLN 7 HE21 GLN 7 67.931 7.228 4.837 49 H ALA 8 HN ALA 8 65.258 12.825 1.412 50 HA ALA 8 HA ALA 8 62.477 13.288 2.061 51 1HB ALA 8 HB1 ALA 8 64.669 14.900 1.777 52 2HB ALA 8 HB3 ALA 8 63.809 15.230 0.274 53 3HB ALA 8 HB2 ALA 8 63.007 15.491 1.824 54 H GLU 9 HN GLU 9 64.271 12.921 -0.995 55 HA GLU 9 HA GLU 9 61.818 13.243 -2.576 56 1HB GLU 9 HB2 GLU 9 64.717 12.810 -3.153 57 2HB GLU 9 HB1 GLU 9 63.557 12.318 -4.385 58 1HG GLU 9 HG2 GLU 9 62.717 14.503 -4.644 59 2HG GLU 9 HG1 GLU 9 63.372 15.035 -3.095 60 H ALA 10 HN ALA 10 63.719 10.630 -1.229 61 HA ALA 10 HA ALA 10 62.701 8.512 -2.873 62 1HB ALA 10 HB2 ALA 10 64.675 8.260 -1.392 63 2HB ALA 10 HB1 ALA 10 63.623 8.402 0.016 64 3HB ALA 10 HB3 ALA 10 63.461 7.022 -1.071 65 H ARG 11 HN ARG 11 61.757 9.418 0.469 66 HA ARG 11 HA ARG 11 59.378 7.790 0.416 67 1HB ARG 11 HB2 ARG 11 60.631 9.731 2.248 68 2HB ARG 11 HB1 ARG 11 58.869 9.695 2.329 69 1HG ARG 11 HG2 ARG 11 58.852 7.343 2.803 70 2HG ARG 11 HG1 ARG 11 60.570 7.193 2.427 71 1HD ARG 11 HD2 ARG 11 60.899 7.448 4.655 72 2HD ARG 11 HD1 ARG 11 60.559 9.154 4.370 73 HE ARG 11 HE ARG 11 58.175 8.645 4.976 74 1HH1 ARG 11 HH11 ARG 11 59.821 5.742 5.048 75 2HH1 ARG 11 HH12 ARG 11 59.329 5.290 6.647 76 1HH2 ARG 11 HH21 ARG 11 57.903 8.368 7.364 77 2HH2 ARG 11 HH22 ARG 11 58.244 6.777 7.958 78 H ALA 12 HN ALA 12 60.124 10.941 -0.795 79 HA ALA 12 HA ALA 12 57.407 11.961 -0.794 80 1HB ALA 12 HB1 ALA 12 59.864 12.764 -2.380 81 2HB ALA 12 HB3 ALA 12 58.338 13.649 -2.402 82 3HB ALA 12 HB2 ALA 12 59.264 13.525 -0.906 83 H PHE 13 HN PHE 13 59.354 10.025 -2.990 84 HA PHE 13 HA PHE 13 57.345 10.235 -5.138 85 1HB PHE 13 HB2 PHE 13 59.636 10.107 -5.869 86 2HB PHE 13 HB1 PHE 13 59.934 8.684 -4.869 87 HD1 PHE 13 HD1 PHE 13 57.728 9.889 -7.649 88 HD2 PHE 13 HD2 PHE 13 59.686 6.547 -5.792 89 HE1 PHE 13 HE1 PHE 13 56.997 8.426 -9.513 90 HE2 PHE 13 HE2 PHE 13 58.953 5.083 -7.655 91 HZ PHE 13 HZ PHE 13 57.610 6.022 -9.516 92 H LEU 14 HN LEU 14 58.231 8.066 -2.543 93 HA LEU 14 HA LEU 14 56.504 5.913 -3.602 94 1HB LEU 14 HB2 LEU 14 57.921 6.017 -0.926 95 2HB LEU 14 HB1 LEU 14 57.316 4.589 -1.767 96 HG LEU 14 HG LEU 14 59.366 6.372 -3.067 97 1HD1 LEU 14 HD13 LEU 14 59.840 4.138 -1.075 98 2HD1 LEU 14 HD12 LEU 14 61.083 4.755 -2.164 99 3HD1 LEU 14 HD11 LEU 14 60.375 5.814 -0.944 100 1HD2 LEU 14 HD22 LEU 14 57.998 3.893 -3.653 101 2HD2 LEU 14 HD21 LEU 14 59.078 4.828 -4.686 102 3HD2 LEU 14 HD23 LEU 14 59.739 3.617 -3.589 103 H SER 15 HN SER 15 54.510 5.359 -2.696 104 HA SER 15 HA SER 15 53.263 7.451 -1.020 105 1HB SER 15 HB2 SER 15 51.284 5.638 -1.437 106 2HB SER 15 HB1 SER 15 51.672 6.929 -2.573 107 HG SER 15 HG SER 15 52.253 5.443 -3.925 108 H GLU 16 HN GLU 16 52.055 6.843 0.931 109 HA GLU 16 HA GLU 16 53.539 5.201 2.719 110 1HB GLU 16 HB2 GLU 16 50.726 6.299 2.803 111 2HB GLU 16 HB1 GLU 16 51.380 5.321 4.117 112 1HG GLU 16 HG2 GLU 16 52.871 7.721 3.062 113 2HG GLU 16 HG1 GLU 16 51.636 7.884 4.310 114 H GLU 17 HN GLU 17 50.887 4.461 0.542 115 HA GLU 17 HA GLU 17 50.165 1.932 1.700 116 1HB GLU 17 HB2 GLU 17 49.310 3.502 -0.472 117 2HB GLU 17 HB1 GLU 17 49.850 1.981 -1.182 118 1HG GLU 17 HG2 GLU 17 48.384 1.403 1.216 119 2HG GLU 17 HG1 GLU 17 47.420 2.484 0.208 120 H MET 18 HN MET 18 52.736 2.937 -0.460 121 HA MET 18 HA MET 18 53.437 0.151 -1.125 122 1HB MET 18 HB2 MET 18 54.429 2.865 -1.925 123 2HB MET 18 HB1 MET 18 55.498 1.478 -2.132 124 1HG MET 18 HG2 MET 18 53.955 0.374 -3.577 125 2HG MET 18 HG1 MET 18 52.648 1.474 -3.140 126 1HE MET 18 HE3 MET 18 55.873 0.799 -4.579 127 2HE MET 18 HE2 MET 18 55.129 0.883 -6.173 128 3HE MET 18 HE1 MET 18 56.313 2.099 -5.695 129 H ILE 19 HN ILE 19 55.188 2.889 0.397 130 HA ILE 19 HA ILE 19 57.389 1.516 1.388 131 HB ILE 19 HB ILE 19 55.780 3.741 2.664 132 1HG1 ILE 19 HG12 ILE 19 58.490 4.311 1.776 133 2HG1 ILE 19 HG11 ILE 19 57.520 3.642 0.463 134 1HG2 ILE 19 HG21 ILE 19 58.403 2.478 3.501 135 2HG2 ILE 19 HG23 ILE 19 57.914 4.094 4.011 136 3HG2 ILE 19 HG22 ILE 19 56.950 2.691 4.477 137 1HD1 ILE 19 HD11 ILE 19 55.904 5.512 1.907 138 2HD1 ILE 19 HD13 ILE 19 57.441 6.287 1.528 139 3HD1 ILE 19 HD12 ILE 19 56.453 5.607 0.235 140 H ALA 20 HN ALA 20 54.075 1.318 2.479 141 HA ALA 20 HA ALA 20 54.594 0.129 5.046 142 1HB ALA 20 HB2 ALA 20 52.355 1.043 3.833 143 2HB ALA 20 HB1 ALA 20 52.148 -0.688 3.568 144 3HB ALA 20 HB3 ALA 20 52.314 -0.062 5.208 145 H GLU 21 HN GLU 21 53.849 -1.300 1.854 146 HA GLU 21 HA GLU 21 54.050 -4.023 2.743 147 1HB GLU 21 HB2 GLU 21 54.605 -2.972 -0.046 148 2HB GLU 21 HB1 GLU 21 54.096 -4.602 0.396 149 1HG GLU 21 HG2 GLU 21 51.950 -3.764 1.191 150 2HG GLU 21 HG1 GLU 21 52.456 -2.101 0.894 151 H PHE 22 HN PHE 22 56.418 -1.694 1.532 152 HA PHE 22 HA PHE 22 58.572 -3.563 1.183 153 1HB PHE 22 HB2 PHE 22 58.479 -0.580 1.668 154 2HB PHE 22 HB1 PHE 22 60.003 -1.449 1.485 155 HD1 PHE 22 HD1 PHE 22 57.254 -2.908 -0.335 156 HD2 PHE 22 HD2 PHE 22 60.305 0.111 -0.535 157 HE1 PHE 22 HE1 PHE 22 57.007 -2.822 -2.800 158 HE2 PHE 22 HE2 PHE 22 60.058 0.195 -3.000 159 HZ PHE 22 HZ PHE 22 58.409 -1.271 -4.132 160 H LYS 23 HN LYS 23 57.273 -1.875 3.974 161 HA LYS 23 HA LYS 23 59.486 -2.223 5.745 162 1HB LYS 23 HB2 LYS 23 57.145 -0.949 5.984 163 2HB LYS 23 HB1 LYS 23 56.706 -2.445 6.811 164 1HG LYS 23 HG2 LYS 23 59.340 -1.463 7.614 165 2HG LYS 23 HG1 LYS 23 58.055 -0.300 7.952 166 1HD LYS 23 HD2 LYS 23 56.795 -1.975 9.184 167 2HD LYS 23 HD1 LYS 23 57.963 -3.224 8.748 168 1HE LYS 23 HE2 LYS 23 58.820 -2.680 10.809 169 2HE LYS 23 HE1 LYS 23 59.650 -1.450 9.858 170 1HZ LYS 23 HZ3 LYS 23 57.061 -1.074 11.263 171 2HZ LYS 23 HZ2 LYS 23 58.568 -0.511 11.811 172 3HZ LYS 23 HZ1 LYS 23 57.895 0.109 10.379 173 H ALA 24 HN ALA 24 57.414 -4.513 4.315 174 HA ALA 24 HA ALA 24 57.582 -6.474 6.492 175 1HB ALA 24 HB3 ALA 24 56.128 -6.191 4.002 176 2HB ALA 24 HB2 ALA 24 56.869 -7.788 4.106 177 3HB ALA 24 HB1 ALA 24 55.779 -7.237 5.378 178 H ALA 25 HN ALA 25 59.352 -5.674 3.577 179 HA ALA 25 HA ALA 25 60.819 -8.195 3.494 180 1HB ALA 25 HB3 ALA 25 60.832 -5.631 1.990 181 2HB ALA 25 HB2 ALA 25 62.354 -6.521 2.027 182 3HB ALA 25 HB1 ALA 25 60.900 -7.288 1.390 183 H PHE 26 HN PHE 26 61.756 -4.827 4.300 184 HA PHE 26 HA PHE 26 64.348 -5.466 5.271 185 1HB PHE 26 HB2 PHE 26 63.885 -3.171 4.869 186 2HB PHE 26 HB1 PHE 26 62.429 -3.207 5.862 187 HD1 PHE 26 HD2 PHE 26 62.647 -3.528 8.357 188 HD2 PHE 26 HD1 PHE 26 66.018 -2.725 5.824 189 HE1 PHE 26 HE2 PHE 26 63.975 -2.850 10.340 190 HE2 PHE 26 HE1 PHE 26 67.350 -2.048 7.805 191 HZ PHE 26 HZ PHE 26 66.327 -2.111 10.065 192 H ASP 27 HN ASP 27 61.229 -5.236 6.992 193 HA ASP 27 HA ASP 27 62.173 -5.694 9.613 194 1HB ASP 27 HB2 ASP 27 59.797 -5.140 8.936 195 2HB ASP 27 HB1 ASP 27 59.607 -6.828 8.465 196 H MET 28 HN MET 28 61.885 -7.888 6.914 197 HA MET 28 HA MET 28 62.080 -10.303 8.531 198 1HB MET 28 HB2 MET 28 61.049 -10.786 6.515 199 2HB MET 28 HB1 MET 28 62.017 -9.617 5.621 200 1HG MET 28 HG2 MET 28 63.867 -11.073 5.494 201 2HG MET 28 HG1 MET 28 63.254 -12.110 6.781 202 1HE MET 28 HE3 MET 28 62.790 -10.647 3.377 203 2HE MET 28 HE2 MET 28 61.688 -11.703 2.499 204 3HE MET 28 HE1 MET 28 61.060 -10.627 3.745 205 H PHE 29 HN PHE 29 64.303 -8.164 6.805 206 HA PHE 29 HA PHE 29 66.592 -9.945 7.210 207 1HB PHE 29 HB2 PHE 29 66.220 -7.163 6.120 208 2HB PHE 29 HB1 PHE 29 67.835 -7.766 6.486 209 HD1 PHE 29 HD2 PHE 29 64.741 -9.314 5.031 210 HD2 PHE 29 HD1 PHE 29 68.929 -8.484 4.549 211 HE1 PHE 29 HE2 PHE 29 64.751 -10.588 2.903 212 HE2 PHE 29 HE1 PHE 29 68.937 -9.757 2.426 213 HZ PHE 29 HZ PHE 29 66.847 -10.809 1.601 214 H ASP 30 HN ASP 30 64.841 -8.309 9.383 215 HA ASP 30 HA ASP 30 67.246 -7.514 10.978 216 1HB ASP 30 HB2 ASP 30 65.040 -5.949 10.272 217 2HB ASP 30 HB1 ASP 30 64.722 -6.421 11.941 218 H ALA 31 HN ALA 31 66.629 -10.157 11.073 219 HA ALA 31 HA ALA 31 64.655 -10.823 13.079 220 1HB ALA 31 HB1 ALA 31 65.877 -12.317 11.256 221 2HB ALA 31 HB3 ALA 31 67.025 -12.582 12.568 222 3HB ALA 31 HB2 ALA 31 65.330 -13.022 12.777 223 H ASP 32 HN ASP 32 67.927 -9.687 13.194 224 HA ASP 32 HA ASP 32 68.572 -10.690 15.829 225 1HB ASP 32 HB2 ASP 32 69.698 -8.558 14.028 226 2HB ASP 32 HB1 ASP 32 70.245 -8.676 15.700 227 H GLY 33 HN GLY 33 66.819 -7.908 14.620 228 1HA GLY 33 HA2 GLY 33 65.298 -6.597 15.913 229 2HA GLY 33 HA1 GLY 33 66.005 -7.270 17.382 230 H GLY 34 HN GLY 34 68.015 -5.958 14.834 231 1HA GLY 34 HA2 GLY 34 68.974 -3.901 16.743 232 2HA GLY 34 HA1 GLY 34 69.792 -4.385 15.257 233 H GLY 35 HN GLY 35 66.773 -4.156 14.195 234 1HA GLY 35 HA2 GLY 35 65.487 -2.477 13.157 235 2HA GLY 35 HA1 GLY 35 66.337 -1.288 14.147 236 H ASP 36 HN ASP 36 68.331 -3.448 12.361 237 HA ASP 36 HA ASP 36 68.482 -1.840 9.938 238 1HB ASP 36 HB2 ASP 36 70.938 -1.229 10.408 239 2HB ASP 36 HB1 ASP 36 69.710 -0.278 11.245 240 H ILE 37 HN ILE 37 69.512 -3.014 8.320 241 HA ILE 37 HA ILE 37 70.715 -5.611 9.181 242 HB ILE 37 HB ILE 37 69.830 -6.635 7.267 243 1HG1 ILE 37 HG12 ILE 37 69.640 -3.833 6.122 244 2HG1 ILE 37 HG11 ILE 37 70.635 -5.168 5.542 245 1HG2 ILE 37 HG23 ILE 37 68.120 -5.078 8.860 246 2HG2 ILE 37 HG22 ILE 37 67.579 -4.803 7.204 247 3HG2 ILE 37 HG21 ILE 37 67.660 -6.444 7.844 248 1HD1 ILE 37 HD13 ILE 37 67.945 -6.093 5.605 249 2HD1 ILE 37 HD12 ILE 37 67.938 -4.514 4.817 250 3HD1 ILE 37 HD11 ILE 37 68.958 -5.809 4.190 251 H SER 38 HN SER 38 72.841 -5.934 8.680 252 HA SER 38 HA SER 38 74.577 -3.953 7.788 253 1HB SER 38 HB2 SER 38 74.973 -6.845 7.005 254 2HB SER 38 HB1 SER 38 76.200 -5.652 7.421 255 HG SER 38 HG SER 38 75.845 -6.008 9.474 256 H THR 39 HN THR 39 75.248 -3.197 5.759 257 HA THR 39 HA THR 39 73.407 -3.396 3.594 258 HB THR 39 HB THR 39 74.830 -2.000 2.410 259 HG1 THR 39 HG1 THR 39 76.549 -3.445 2.241 260 1HG2 THR 39 HG22 THR 39 74.629 -1.553 5.155 261 2HG2 THR 39 HG21 THR 39 76.336 -1.291 4.801 262 3HG2 THR 39 HG23 THR 39 75.104 -0.369 3.940 263 H LYS 40 HN LYS 40 75.853 -5.540 4.652 264 HA LYS 40 HA LYS 40 76.588 -6.771 2.182 265 1HB LYS 40 HB2 LYS 40 76.371 -7.866 4.999 266 2HB LYS 40 HB1 LYS 40 77.002 -8.809 3.651 267 1HG LYS 40 HG2 LYS 40 78.945 -7.606 3.541 268 2HG LYS 40 HG1 LYS 40 78.153 -6.093 3.986 269 1HD LYS 40 HD2 LYS 40 78.617 -6.377 6.180 270 2HD LYS 40 HD1 LYS 40 78.105 -8.065 6.148 271 1HE LYS 40 HE2 LYS 40 80.244 -8.757 6.084 272 2HE LYS 40 HE1 LYS 40 80.551 -7.774 4.651 273 1HZ LYS 40 HZ1 LYS 40 80.343 -6.161 6.982 274 2HZ LYS 40 HZ3 LYS 40 81.534 -7.352 7.184 275 3HZ LYS 40 HZ2 LYS 40 81.619 -6.281 5.867 276 H ALA 41 HN ALA 41 73.846 -7.249 4.370 277 HA ALA 41 HA ALA 41 72.749 -9.379 2.647 278 1HB ALA 41 HB1 ALA 41 72.605 -9.045 5.316 279 2HB ALA 41 HB3 ALA 41 71.133 -8.191 4.851 280 3HB ALA 41 HB2 ALA 41 71.351 -9.883 4.403 281 H LEU 42 HN LEU 42 72.783 -6.036 2.615 282 HA LEU 42 HA LEU 42 70.069 -5.399 1.988 283 1HB LEU 42 HB2 LEU 42 72.664 -4.080 1.837 284 2HB LEU 42 HB1 LEU 42 71.664 -3.682 0.443 285 HG LEU 42 HG LEU 42 71.125 -2.047 2.088 286 1HD1 LEU 42 HD13 LEU 42 69.199 -3.472 1.002 287 2HD1 LEU 42 HD12 LEU 42 68.958 -4.047 2.652 288 3HD1 LEU 42 HD11 LEU 42 68.822 -2.326 2.288 289 1HD2 LEU 42 HD21 LEU 42 71.536 -4.322 3.915 290 2HD2 LEU 42 HD23 LEU 42 71.799 -2.600 4.184 291 3HD2 LEU 42 HD22 LEU 42 70.180 -3.282 4.358 292 H GLY 43 HN GLY 43 72.827 -6.203 -0.138 293 1HA GLY 43 HA2 GLY 43 71.365 -6.101 -2.585 294 2HA GLY 43 HA1 GLY 43 72.835 -7.046 -2.330 295 H THR 44 HN THR 44 71.401 -8.390 0.006 296 HA THR 44 HA THR 44 70.375 -10.643 -1.520 297 HB THR 44 HB THR 44 70.575 -10.012 1.428 298 HG1 THR 44 HG1 THR 44 71.781 -11.834 -0.365 299 1HG2 THR 44 HG21 THR 44 69.119 -12.244 0.044 300 2HG2 THR 44 HG23 THR 44 69.900 -12.535 1.598 301 3HG2 THR 44 HG22 THR 44 68.637 -11.314 1.462 302 H VAL 45 HN VAL 45 68.981 -7.921 0.227 303 HA VAL 45 HA VAL 45 66.272 -8.940 0.256 304 HB VAL 45 HB VAL 45 67.081 -6.021 0.242 305 1HG1 VAL 45 HG11 VAL 45 64.612 -7.065 0.164 306 2HG1 VAL 45 HG13 VAL 45 64.888 -7.178 1.904 307 3HG1 VAL 45 HG12 VAL 45 64.980 -5.612 1.095 308 1HG2 VAL 45 HG22 VAL 45 68.306 -7.614 1.928 309 2HG2 VAL 45 HG21 VAL 45 67.587 -6.122 2.527 310 3HG2 VAL 45 HG23 VAL 45 66.743 -7.654 2.744 311 H MET 46 HN MET 46 68.105 -6.824 -1.933 312 HA MET 46 HA MET 46 66.117 -5.981 -3.684 313 1HB MET 46 HB2 MET 46 68.733 -7.093 -4.708 314 2HB MET 46 HB1 MET 46 67.804 -5.731 -5.336 315 1HG MET 46 HG2 MET 46 68.205 -4.639 -3.029 316 2HG MET 46 HG1 MET 46 69.451 -5.869 -2.811 317 1HE MET 46 HE2 MET 46 68.317 -2.713 -4.075 318 2HE MET 46 HE1 MET 46 69.447 -2.118 -5.289 319 3HE MET 46 HE3 MET 46 68.214 -3.306 -5.731 320 H ARG 47 HN ARG 47 67.962 -9.040 -4.052 321 HA ARG 47 HA ARG 47 66.407 -10.069 -6.189 322 1HB ARG 47 HB2 ARG 47 67.629 -11.782 -4.017 323 2HB ARG 47 HB1 ARG 47 67.415 -12.177 -5.722 324 1HG ARG 47 HG2 ARG 47 68.936 -10.077 -6.122 325 2HG ARG 47 HG1 ARG 47 69.422 -10.341 -4.447 326 1HD ARG 47 HD2 ARG 47 69.393 -12.852 -5.879 327 2HD ARG 47 HD1 ARG 47 70.399 -11.678 -6.729 328 HE ARG 47 HE ARG 47 71.806 -11.525 -4.757 329 1HH1 ARG 47 HH21 ARG 47 69.415 -12.230 -2.894 330 2HH1 ARG 47 HH22 ARG 47 69.961 -13.748 -2.265 331 1HH2 ARG 47 HH11 ARG 47 72.435 -14.151 -4.660 332 2HH2 ARG 47 HH12 ARG 47 71.672 -14.836 -3.265 333 H MET 48 HN MET 48 65.941 -10.295 -2.674 334 HA MET 48 HA MET 48 63.839 -12.162 -2.595 335 1HB MET 48 HB2 MET 48 64.338 -9.690 -0.919 336 2HB MET 48 HB1 MET 48 63.069 -10.859 -0.552 337 1HG MET 48 HG2 MET 48 65.964 -11.661 -0.914 338 2HG MET 48 HG1 MET 48 65.288 -11.225 0.654 339 1HE MET 48 HE1 MET 48 64.864 -12.459 2.044 340 2HE MET 48 HE3 MET 48 63.465 -13.542 2.048 341 3HE MET 48 HE2 MET 48 65.095 -14.204 1.946 342 H LEU 49 HN LEU 49 63.636 -8.630 -3.093 343 HA LEU 49 HA LEU 49 60.751 -8.717 -3.482 344 1HB LEU 49 HB2 LEU 49 62.411 -6.447 -4.506 345 2HB LEU 49 HB1 LEU 49 60.862 -6.410 -3.666 346 HG LEU 49 HG LEU 49 63.607 -6.872 -2.485 347 1HD1 LEU 49 HD12 LEU 49 61.984 -4.609 -2.793 348 2HD1 LEU 49 HD11 LEU 49 61.768 -5.088 -1.109 349 3HD1 LEU 49 HD13 LEU 49 63.385 -4.758 -1.733 350 1HD2 LEU 49 HD22 LEU 49 61.061 -8.002 -1.667 351 2HD2 LEU 49 HD21 LEU 49 62.665 -8.267 -0.981 352 3HD2 LEU 49 HD23 LEU 49 61.683 -6.909 -0.430 353 H GLY 50 HN GLY 50 63.532 -9.213 -5.469 354 1HA GLY 50 HA2 GLY 50 62.950 -10.416 -7.628 355 2HA GLY 50 HA1 GLY 50 61.786 -9.116 -7.900 356 H GLN 51 HN GLN 51 63.917 -7.274 -6.596 357 HA GLN 51 HA GLN 51 65.004 -6.255 -9.035 358 1HB GLN 51 HB2 GLN 51 65.026 -5.542 -6.254 359 2HB GLN 51 HB1 GLN 51 66.675 -5.457 -6.874 360 1HG GLN 51 HG2 GLN 51 65.695 -3.312 -7.291 361 2HG GLN 51 HG1 GLN 51 65.738 -4.145 -8.844 362 1HE2 GLN 51 HE22 GLN 51 62.295 -2.723 -8.322 363 2HE2 GLN 51 HE21 GLN 51 63.853 -2.048 -8.356 364 H ASN 52 HN ASN 52 66.799 -6.864 -10.159 365 HA ASN 52 HA ASN 52 68.829 -8.546 -8.756 366 1HB ASN 52 HB2 ASN 52 67.447 -10.065 -10.070 367 2HB ASN 52 HB1 ASN 52 67.623 -9.040 -11.495 368 1HD2 ASN 52 HD22 ASN 52 71.082 -10.892 -10.245 369 2HD2 ASN 52 HD21 ASN 52 70.057 -10.189 -9.088 370 HA PRO 53 HA PRO 53 70.702 -5.033 -11.132 371 1HB PRO 53 HB2 PRO 53 71.937 -3.879 -8.964 372 2HB PRO 53 HB1 PRO 53 70.299 -3.461 -9.495 373 1HG PRO 53 HG2 PRO 53 71.152 -5.093 -7.149 374 2HG PRO 53 HG1 PRO 53 69.673 -4.146 -7.379 375 1HD PRO 53 HD2 PRO 53 69.900 -6.959 -7.623 376 2HD PRO 53 HD1 PRO 53 68.525 -5.970 -8.161 377 H THR 54 HN THR 54 73.128 -4.553 -11.242 378 HA THR 54 HA THR 54 74.613 -7.051 -11.117 379 HB THR 54 HB THR 54 75.127 -5.592 -12.944 380 HG1 THR 54 HG1 THR 54 76.921 -6.586 -11.775 381 1HG2 THR 54 HG21 THR 54 75.280 -3.516 -10.779 382 2HG2 THR 54 HG23 THR 54 76.158 -3.273 -12.289 383 3HG2 THR 54 HG22 THR 54 74.404 -3.465 -12.308 384 H LYS 55 HN LYS 55 76.066 -7.684 -9.558 385 HA LYS 55 HA LYS 55 76.010 -6.615 -6.956 386 1HB LYS 55 HB2 LYS 55 77.111 -8.828 -8.033 387 2HB LYS 55 HB1 LYS 55 78.569 -7.851 -7.844 388 1HG LYS 55 HG2 LYS 55 76.663 -7.950 -5.546 389 2HG LYS 55 HG1 LYS 55 77.648 -9.382 -5.856 390 1HD LYS 55 HD2 LYS 55 79.254 -6.979 -6.069 391 2HD LYS 55 HD1 LYS 55 78.447 -7.047 -4.503 392 1HE LYS 55 HE2 LYS 55 79.377 -9.200 -4.014 393 2HE LYS 55 HE1 LYS 55 79.943 -9.402 -5.672 394 1HZ LYS 55 HZ3 LYS 55 81.124 -7.107 -4.986 395 2HZ LYS 55 HZ2 LYS 55 81.110 -7.905 -3.487 396 3HZ LYS 55 HZ1 LYS 55 81.856 -8.630 -4.831 397 H GLU 56 HN GLU 56 77.937 -5.656 -9.726 398 HA GLU 56 HA GLU 56 79.894 -4.109 -8.299 399 1HB GLU 56 HB2 GLU 56 78.960 -4.347 -11.107 400 2HB GLU 56 HB1 GLU 56 79.726 -2.817 -10.678 401 1HG GLU 56 HG2 GLU 56 80.975 -5.474 -9.971 402 2HG GLU 56 HG1 GLU 56 81.280 -4.683 -11.518 403 H GLU 57 HN GLU 57 76.954 -3.047 -10.056 404 HA GLU 57 HA GLU 57 77.061 -0.349 -9.149 405 1HB GLU 57 HB2 GLU 57 75.515 -1.603 -10.937 406 2HB GLU 57 HB1 GLU 57 74.400 -1.639 -9.572 407 1HG GLU 57 HG2 GLU 57 73.865 0.503 -9.999 408 2HG GLU 57 HG1 GLU 57 75.525 0.961 -9.622 409 H LEU 58 HN LEU 58 76.186 -3.265 -7.525 410 HA LEU 58 HA LEU 58 74.442 -2.120 -5.532 411 1HB LEU 58 HB2 LEU 58 75.203 -4.674 -6.193 412 2HB LEU 58 HB1 LEU 58 76.100 -4.414 -4.695 413 HG LEU 58 HG LEU 58 73.271 -3.509 -4.697 414 1HD1 LEU 58 HD11 LEU 58 74.109 -6.411 -4.854 415 2HD1 LEU 58 HD13 LEU 58 72.587 -5.906 -4.120 416 3HD1 LEU 58 HD12 LEU 58 72.895 -5.579 -5.825 417 1HD2 LEU 58 HD23 LEU 58 75.355 -4.477 -2.845 418 2HD2 LEU 58 HD22 LEU 58 74.048 -3.327 -2.564 419 3HD2 LEU 58 HD21 LEU 58 73.733 -5.061 -2.480 420 H ASP 59 HN ASP 59 77.871 -3.158 -5.277 421 HA ASP 59 HA ASP 59 78.478 -2.174 -2.762 422 1HB ASP 59 HB2 ASP 59 80.131 -3.321 -4.177 423 2HB ASP 59 HB1 ASP 59 80.204 -1.919 -5.244 424 H ALA 60 HN ALA 60 78.437 -0.287 -5.792 425 HA ALA 60 HA ALA 60 79.155 2.209 -4.584 426 1HB ALA 60 HB3 ALA 60 77.765 1.427 -7.137 427 2HB ALA 60 HB2 ALA 60 77.871 3.125 -6.670 428 3HB ALA 60 HB1 ALA 60 79.342 2.186 -6.923 429 H ILE 61 HN ILE 61 76.017 0.651 -5.178 430 HA ILE 61 HA ILE 61 74.343 2.808 -4.402 431 HB ILE 61 HB ILE 61 74.019 -0.194 -4.257 432 1HG1 ILE 61 HG12 ILE 61 72.609 1.923 -5.909 433 2HG1 ILE 61 HG11 ILE 61 74.015 1.015 -6.466 434 1HG2 ILE 61 HG21 ILE 61 72.226 1.981 -3.218 435 2HG2 ILE 61 HG23 ILE 61 71.508 0.538 -3.933 436 3HG2 ILE 61 HG22 ILE 61 72.564 0.392 -2.530 437 1HD1 ILE 61 HD12 ILE 61 72.700 -1.103 -5.970 438 2HD1 ILE 61 HD11 ILE 61 71.287 -0.074 -5.737 439 3HD1 ILE 61 HD13 ILE 61 72.084 -0.134 -7.308 440 H ILE 62 HN ILE 62 75.192 -0.010 -2.360 441 HA ILE 62 HA ILE 62 74.291 0.872 0.093 442 HB ILE 62 HB ILE 62 76.862 -0.581 -0.573 443 1HG1 ILE 62 HG12 ILE 62 74.301 -1.610 0.673 444 2HG1 ILE 62 HG11 ILE 62 74.565 -1.593 -1.070 445 1HG2 ILE 62 HG22 ILE 62 76.999 0.589 1.638 446 2HG2 ILE 62 HG21 ILE 62 75.545 -0.271 2.140 447 3HG2 ILE 62 HG23 ILE 62 77.020 -1.168 1.784 448 1HD1 ILE 62 HD12 ILE 62 76.867 -2.704 0.297 449 2HD1 ILE 62 HD11 ILE 62 75.400 -3.579 0.734 450 3HD1 ILE 62 HD13 ILE 62 75.863 -3.429 -0.961 451 H GLU 63 HN GLU 63 77.162 2.005 -1.627 452 HA GLU 63 HA GLU 63 78.285 3.496 0.559 453 1HB GLU 63 HB2 GLU 63 78.837 3.086 -2.242 454 2HB GLU 63 HB1 GLU 63 78.951 4.805 -1.858 455 1HG GLU 63 HG2 GLU 63 80.436 4.248 0.062 456 2HG GLU 63 HG1 GLU 63 80.378 2.550 -0.415 457 H GLU 64 HN GLU 64 76.275 4.548 -2.212 458 HA GLU 64 HA GLU 64 75.990 7.240 -1.160 459 1HB GLU 64 HB2 GLU 64 74.119 7.317 -2.936 460 2HB GLU 64 HB1 GLU 64 75.767 7.058 -3.508 461 1HG GLU 64 HG2 GLU 64 75.406 4.753 -3.868 462 2HG GLU 64 HG1 GLU 64 73.964 4.732 -2.852 463 H VAL 65 HN VAL 65 74.597 4.303 -0.293 464 HA VAL 65 HA VAL 65 71.984 5.437 0.465 465 HB VAL 65 HB VAL 65 73.220 2.694 0.822 466 1HG1 VAL 65 HG11 VAL 65 70.626 3.874 1.803 467 2HG1 VAL 65 HG13 VAL 65 70.741 2.155 1.425 468 3HG1 VAL 65 HG12 VAL 65 71.775 2.855 2.671 469 1HG2 VAL 65 HG23 VAL 65 71.177 3.925 -1.025 470 2HG2 VAL 65 HG22 VAL 65 72.595 2.960 -1.437 471 3HG2 VAL 65 HG21 VAL 65 71.184 2.188 -0.716 472 H ASP 66 HN ASP 66 74.891 4.160 2.089 473 HA ASP 66 HA ASP 66 73.823 5.000 4.709 474 1HB ASP 66 HB2 ASP 66 75.456 2.932 3.970 475 2HB ASP 66 HB1 ASP 66 76.638 4.118 4.527 476 H GLU 67 HN GLU 67 73.788 7.322 4.054 477 HA GLU 67 HA GLU 67 76.197 8.741 3.403 478 1HB GLU 67 HB2 GLU 67 73.513 9.555 4.504 479 2HB GLU 67 HB1 GLU 67 74.819 10.733 4.353 480 1HG GLU 67 HG2 GLU 67 74.441 9.058 1.961 481 2HG GLU 67 HG1 GLU 67 73.056 10.085 2.342 482 H ASP 68 HN ASP 68 74.879 7.550 6.391 483 HA ASP 68 HA ASP 68 76.697 9.243 8.003 484 1HB ASP 68 HB2 ASP 68 75.625 7.908 9.916 485 2HB ASP 68 HB1 ASP 68 74.552 8.975 9.008 486 H GLY 69 HN GLY 69 76.741 6.247 6.413 487 1HA GLY 69 HA2 GLY 69 78.165 4.381 6.567 488 2HA GLY 69 HA1 GLY 69 79.370 5.571 7.065 489 H SER 70 HN SER 70 76.393 4.547 8.734 490 HA SER 70 HA SER 70 77.788 4.362 11.268 491 1HB SER 70 HB2 SER 70 75.577 3.318 12.012 492 2HB SER 70 HB1 SER 70 75.475 4.950 11.359 493 HG SER 70 HG SER 70 74.583 2.533 10.325 494 H GLY 71 HN GLY 71 77.688 2.304 8.622 495 1HA GLY 71 HA2 GLY 71 78.933 0.228 8.585 496 2HA GLY 71 HA1 GLY 71 78.629 0.049 10.315 497 H THR 72 HN THR 72 75.726 0.895 9.684 498 HA THR 72 HA THR 72 74.804 -1.601 8.351 499 HB THR 72 HB THR 72 73.017 -1.677 10.248 500 HG1 THR 72 HG1 THR 72 73.466 0.153 11.346 501 1HG2 THR 72 HG23 THR 72 75.883 -2.544 10.359 502 2HG2 THR 72 HG22 THR 72 74.851 -2.831 11.760 503 3HG2 THR 72 HG21 THR 72 74.425 -3.523 10.194 504 H ILE 73 HN ILE 73 72.602 -1.425 7.549 505 HA ILE 73 HA ILE 73 71.797 1.416 7.132 506 HB ILE 73 HB ILE 73 71.249 -1.116 5.577 507 1HG1 ILE 73 HG12 ILE 73 72.782 1.449 5.150 508 2HG1 ILE 73 HG11 ILE 73 73.338 -0.213 4.952 509 1HG2 ILE 73 HG21 ILE 73 70.065 1.655 5.189 510 2HG2 ILE 73 HG23 ILE 73 69.877 0.302 4.074 511 3HG2 ILE 73 HG22 ILE 73 69.176 0.216 5.689 512 1HD1 ILE 73 HD12 ILE 73 71.262 1.135 3.207 513 2HD1 ILE 73 HD11 ILE 73 72.956 0.917 2.770 514 3HD1 ILE 73 HD13 ILE 73 71.912 -0.489 2.985 515 H ASP 74 HN ASP 74 69.461 1.892 7.205 516 HA ASP 74 HA ASP 74 67.945 -0.006 8.950 517 1HB ASP 74 HB2 ASP 74 67.946 3.023 9.128 518 2HB ASP 74 HB1 ASP 74 67.000 1.928 10.137 519 H PHE 75 HN PHE 75 65.506 0.594 8.876 520 HA PHE 75 HA PHE 75 64.519 0.302 6.264 521 1HB PHE 75 HB2 PHE 75 63.301 0.033 8.537 522 2HB PHE 75 HB1 PHE 75 62.958 1.759 8.395 523 HD1 PHE 75 HD2 PHE 75 63.143 -0.955 5.823 524 HD2 PHE 75 HD1 PHE 75 60.711 1.996 7.776 525 HE1 PHE 75 HE2 PHE 75 61.282 -1.453 4.259 526 HE2 PHE 75 HE1 PHE 75 58.850 1.498 6.213 527 HZ PHE 75 HZ PHE 75 59.137 -0.226 4.454 528 H GLU 76 HN GLU 76 65.112 3.272 8.114 529 HA GLU 76 HA GLU 76 63.878 5.125 6.373 530 1HB GLU 76 HB2 GLU 76 66.189 5.266 8.281 531 2HB GLU 76 HB1 GLU 76 65.875 6.635 7.215 532 1HG GLU 76 HG2 GLU 76 63.584 5.436 8.728 533 2HG GLU 76 HG1 GLU 76 64.706 6.494 9.586 534 H GLU 77 HN GLU 77 67.379 4.342 6.437 535 HA GLU 77 HA GLU 77 67.843 5.547 3.857 536 1HB GLU 77 HB2 GLU 77 69.558 3.479 5.258 537 2HB GLU 77 HB1 GLU 77 70.078 4.647 4.044 538 1HG GLU 77 HG2 GLU 77 69.648 6.497 5.541 539 2HG GLU 77 HG1 GLU 77 68.907 5.421 6.728 540 H PHE 78 HN PHE 78 66.376 2.627 4.730 541 HA PHE 78 HA PHE 78 67.330 0.940 2.600 542 1HB PHE 78 HB2 PHE 78 66.260 -0.388 4.128 543 2HB PHE 78 HB1 PHE 78 65.154 0.892 4.614 544 HD1 PHE 78 HD2 PHE 78 63.072 1.281 3.420 545 HD2 PHE 78 HD1 PHE 78 65.739 -1.871 2.250 546 HE1 PHE 78 HE2 PHE 78 61.272 0.274 2.037 547 HE2 PHE 78 HE1 PHE 78 63.942 -2.881 0.866 548 HZ PHE 78 HZ PHE 78 61.709 -1.807 0.760 549 H LEU 79 HN LEU 79 64.306 2.839 2.940 550 HA LEU 79 HA LEU 79 63.190 2.415 0.430 551 1HB LEU 79 HB2 LEU 79 63.362 5.073 1.888 552 2HB LEU 79 HB1 LEU 79 62.208 4.673 0.616 553 HG LEU 79 HG LEU 79 62.439 3.007 3.122 554 1HD1 LEU 79 HD13 LEU 79 61.956 5.383 3.723 555 2HD1 LEU 79 HD12 LEU 79 60.556 5.336 2.650 556 3HD1 LEU 79 HD11 LEU 79 60.608 4.303 4.078 557 1HD2 LEU 79 HD22 LEU 79 60.290 3.437 1.024 558 2HD2 LEU 79 HD21 LEU 79 61.254 1.979 1.260 559 3HD2 LEU 79 HD23 LEU 79 60.074 2.464 2.478 560 H VAL 80 HN VAL 80 65.812 4.675 1.264 561 HA VAL 80 HA VAL 80 66.102 5.943 -1.239 562 HB VAL 80 HB VAL 80 68.139 5.186 0.866 563 1HG1 VAL 80 HG13 VAL 80 68.478 6.543 -1.794 564 2HG1 VAL 80 HG12 VAL 80 69.473 7.051 -0.429 565 3HG1 VAL 80 HG11 VAL 80 69.538 5.381 -0.993 566 1HG2 VAL 80 HG23 VAL 80 66.358 6.900 1.368 567 2HG2 VAL 80 HG22 VAL 80 68.001 7.536 1.449 568 3HG2 VAL 80 HG21 VAL 80 66.994 7.872 0.039 569 H MET 81 HN MET 81 67.888 3.056 -0.079 570 HA MET 81 HA MET 81 69.245 2.447 -2.448 571 1HB MET 81 HB2 MET 81 69.600 1.241 -0.327 572 2HB MET 81 HB1 MET 81 68.007 0.498 -0.481 573 1HG MET 81 HG2 MET 81 68.654 -0.690 -2.455 574 2HG MET 81 HG1 MET 81 70.154 0.229 -2.589 575 1HE MET 81 HE2 MET 81 71.806 0.420 -0.712 576 2HE MET 81 HE1 MET 81 70.820 0.275 0.741 577 3HE MET 81 HE3 MET 81 72.180 -0.825 0.478 578 H MET 82 HN MET 82 65.854 2.001 -1.673 579 HA MET 82 HA MET 82 65.287 0.181 -3.854 580 1HB MET 82 HB2 MET 82 63.256 2.070 -2.672 581 2HB MET 82 HB1 MET 82 63.020 0.426 -3.267 582 1HG MET 82 HG2 MET 82 64.419 1.281 -0.723 583 2HG MET 82 HG1 MET 82 62.963 0.302 -0.871 584 1HE MET 82 HE2 MET 82 62.922 -1.564 -2.562 585 2HE MET 82 HE1 MET 82 64.313 -1.528 -3.644 586 3HE MET 82 HE3 MET 82 64.081 -2.890 -2.540 587 H VAL 83 HN VAL 83 64.556 3.671 -3.436 588 HA VAL 83 HA VAL 83 63.758 4.052 -6.161 589 HB VAL 83 HB VAL 83 64.993 6.246 -4.513 590 1HG1 VAL 83 HG11 VAL 83 63.727 6.201 -6.942 591 2HG1 VAL 83 HG13 VAL 83 62.382 6.552 -5.857 592 3HG1 VAL 83 HG12 VAL 83 63.794 7.610 -5.884 593 1HG2 VAL 83 HG21 VAL 83 62.465 4.702 -3.979 594 2HG2 VAL 83 HG23 VAL 83 63.667 5.294 -2.830 595 3HG2 VAL 83 HG22 VAL 83 62.541 6.420 -3.592 596 H ARG 84 HN ARG 84 66.810 3.482 -4.810 597 HA ARG 84 HA ARG 84 68.552 5.093 -6.326 598 1HB ARG 84 HB2 ARG 84 68.803 2.867 -4.640 599 2HB ARG 84 HB1 ARG 84 69.516 2.356 -6.170 600 1HG ARG 84 HG2 ARG 84 71.349 3.388 -5.207 601 2HG ARG 84 HG1 ARG 84 70.639 4.761 -6.055 602 1HD ARG 84 HD2 ARG 84 69.946 4.081 -3.190 603 2HD ARG 84 HD1 ARG 84 71.257 5.179 -3.618 604 HE ARG 84 HE ARG 84 68.371 5.715 -3.957 605 1HH1 ARG 84 HH21 ARG 84 69.271 6.834 -6.385 606 2HH1 ARG 84 HH22 ARG 84 69.964 8.364 -5.962 607 1HH2 ARG 84 HH11 ARG 84 70.299 7.582 -2.601 608 2HH2 ARG 84 HH12 ARG 84 70.547 8.788 -3.820 609 H GLN 85 HN GLN 85 66.566 2.397 -7.328 610 HA GLN 85 HA GLN 85 67.655 2.740 -10.091 611 1HB GLN 85 HB2 GLN 85 67.082 0.251 -10.373 612 2HB GLN 85 HB1 GLN 85 68.508 0.630 -9.406 613 1HG GLN 85 HG2 GLN 85 66.104 0.622 -7.773 614 2HG GLN 85 HG1 GLN 85 66.321 -0.921 -8.600 615 1HE2 GLN 85 HE22 GLN 85 68.881 0.155 -5.621 616 2HE2 GLN 85 HE21 GLN 85 67.660 1.213 -6.143 617 H MET 86 HN MET 86 64.956 2.918 -8.090 618 HA MET 86 HA MET 86 63.005 2.086 -10.130 619 1HB MET 86 HB2 MET 86 62.570 3.483 -7.474 620 2HB MET 86 HB1 MET 86 61.320 2.750 -8.477 621 1HG MET 86 HG2 MET 86 63.282 0.759 -8.147 622 2HG MET 86 HG1 MET 86 63.078 1.489 -6.556 623 1HE MET 86 HE3 MET 86 61.324 1.736 -5.308 624 2HE MET 86 HE2 MET 86 59.772 0.902 -5.341 625 3HE MET 86 HE1 MET 86 61.237 0.000 -4.969 626 H LYS 87 HN LYS 87 64.980 4.553 -10.198 627 HA LYS 87 HA LYS 87 62.906 6.419 -11.263 628 1HB LYS 87 HB2 LYS 87 64.847 6.876 -9.117 629 2HB LYS 87 HB1 LYS 87 64.967 8.071 -10.411 630 1HG LYS 87 HG2 LYS 87 62.193 7.472 -9.724 631 2HG LYS 87 HG1 LYS 87 63.102 8.092 -8.344 632 1HD LYS 87 HD2 LYS 87 62.006 9.864 -9.803 633 2HD LYS 87 HD1 LYS 87 63.738 10.071 -9.542 634 1HE LYS 87 HE2 LYS 87 64.242 9.671 -11.726 635 2HE LYS 87 HE1 LYS 87 63.032 8.395 -11.871 636 1HZ LYS 87 HZ1 LYS 87 61.368 10.327 -11.725 637 2HZ LYS 87 HZ3 LYS 87 62.687 11.310 -12.134 638 3HZ LYS 87 HZ2 LYS 87 62.190 10.074 -13.190 639 H GLU 88 HN GLU 88 65.405 4.485 -12.050 640 HA GLU 88 HA GLU 88 66.039 6.112 -14.437 641 1HB GLU 88 HB2 GLU 88 68.440 5.889 -14.166 642 2HB GLU 88 HB1 GLU 88 67.788 6.637 -12.706 643 1HG GLU 88 HG2 GLU 88 67.736 4.395 -11.619 644 2HG GLU 88 HG1 GLU 88 68.487 3.707 -13.060 645 H ASP 89 HN ASP 89 66.540 3.046 -12.690 646 HA ASP 89 HA ASP 89 67.217 1.565 -15.089 647 1HB ASP 89 HB2 ASP 89 67.546 1.043 -12.467 648 2HB ASP 89 HB1 ASP 89 66.053 0.144 -12.746 649 H ALA 90 HN ALA 90 64.323 2.862 -13.972 650 HA ALA 90 HA ALA 90 62.809 1.278 -15.941 651 1HB ALA 90 HB2 ALA 90 62.723 0.630 -13.168 652 2HB ALA 90 HB1 ALA 90 61.185 1.390 -13.579 653 3HB ALA 90 HB3 ALA 90 61.729 -0.034 -14.465 No H/Q in entry = 653 Start of MODEL 39 1 1H ALA 1 HT1 ALA 1 71.836 13.735 13.638 2 2H ALA 1 HT3 ALA 1 73.002 14.237 12.514 3 3H ALA 1 HT2 ALA 1 73.226 14.554 14.168 4 HA ALA 1 HA ALA 1 71.492 16.131 14.219 5 1HB ALA 1 HB3 ALA 1 73.780 16.456 12.713 6 2HB ALA 1 HB2 ALA 1 72.515 16.936 11.582 7 3HB ALA 1 HB1 ALA 1 72.660 17.751 13.140 8 H SER 2 HN SER 2 69.442 15.078 13.874 9 HA SER 2 HA SER 2 67.441 14.702 12.702 10 1HB SER 2 HB2 SER 2 68.654 17.075 11.573 11 2HB SER 2 HB1 SER 2 67.786 16.179 10.328 12 HG SER 2 HG SER 2 66.279 17.441 11.303 13 H MET 3 HN MET 3 66.951 14.548 9.949 14 HA MET 3 HA MET 3 68.704 12.250 9.188 15 1HB MET 3 HB2 MET 3 66.741 11.519 7.801 16 2HB MET 3 HB1 MET 3 66.399 11.553 9.531 17 1HG MET 3 HG2 MET 3 65.879 14.097 8.126 18 2HG MET 3 HG1 MET 3 64.837 12.760 7.639 19 1HE MET 3 HE3 MET 3 64.373 11.034 9.280 20 2HE MET 3 HE2 MET 3 64.606 11.192 11.020 21 3HE MET 3 HE1 MET 3 63.020 11.498 10.319 22 H THR 4 HN THR 4 68.920 11.996 6.763 23 HA THR 4 HA THR 4 69.740 14.542 5.605 24 HB THR 4 HB THR 4 70.501 13.193 3.712 25 HG1 THR 4 HG1 THR 4 69.903 11.109 3.495 26 1HG2 THR 4 HG21 THR 4 71.102 12.472 6.511 27 2HG2 THR 4 HG23 THR 4 71.595 11.273 5.315 28 3HG2 THR 4 HG22 THR 4 72.195 12.928 5.204 29 H ASP 5 HN ASP 5 68.819 15.539 3.748 30 HA ASP 5 HA ASP 5 65.951 15.361 3.547 31 1HB ASP 5 HB2 ASP 5 67.725 16.591 1.438 32 2HB ASP 5 HB1 ASP 5 66.115 17.099 1.954 33 H GLN 6 HN GLN 6 68.456 13.501 2.182 34 HA GLN 6 HA GLN 6 67.357 12.853 -0.369 35 1HB GLN 6 HB2 GLN 6 69.504 11.933 1.297 36 2HB GLN 6 HB1 GLN 6 68.605 10.533 0.712 37 1HG GLN 6 HG2 GLN 6 68.808 12.295 -1.485 38 2HG GLN 6 HG1 GLN 6 70.408 12.256 -0.743 39 1HE2 GLN 6 HE22 GLN 6 70.671 8.624 -1.206 40 2HE2 GLN 6 HE21 GLN 6 70.925 9.771 0.020 41 H GLN 7 HN GLN 7 66.795 11.476 2.858 42 HA GLN 7 HA GLN 7 65.001 9.411 1.855 43 1HB GLN 7 HB2 GLN 7 65.361 10.484 4.670 44 2HB GLN 7 HB1 GLN 7 64.521 8.996 4.231 45 1HG GLN 7 HG2 GLN 7 66.456 7.848 3.966 46 2HG GLN 7 HG1 GLN 7 67.227 9.182 3.105 47 1HE2 GLN 7 HE22 GLN 7 69.066 8.893 6.300 48 2HE2 GLN 7 HE21 GLN 7 68.892 7.980 4.880 49 H ALA 8 HN ALA 8 64.692 12.738 2.828 50 HA ALA 8 HA ALA 8 61.864 12.692 3.403 51 1HB ALA 8 HB2 ALA 8 63.547 14.527 4.015 52 2HB ALA 8 HB1 ALA 8 63.411 15.064 2.341 53 3HB ALA 8 HB3 ALA 8 61.992 15.075 3.389 54 H GLU 9 HN GLU 9 63.720 13.613 0.485 55 HA GLU 9 HA GLU 9 61.297 13.970 -1.092 56 1HB GLU 9 HB2 GLU 9 63.604 15.078 -1.469 57 2HB GLU 9 HB1 GLU 9 64.067 13.549 -2.218 58 1HG GLU 9 HG2 GLU 9 61.813 13.864 -3.552 59 2HG GLU 9 HG1 GLU 9 62.034 15.561 -3.124 60 H ALA 10 HN ALA 10 63.251 11.288 -0.182 61 HA ALA 10 HA ALA 10 62.825 9.587 -2.448 62 1HB ALA 10 HB3 ALA 10 64.414 9.249 -0.431 63 2HB ALA 10 HB2 ALA 10 63.003 8.586 0.393 64 3HB ALA 10 HB1 ALA 10 63.604 7.823 -1.079 65 H ARG 11 HN ARG 11 61.121 9.624 0.709 66 HA ARG 11 HA ARG 11 59.050 7.845 -0.082 67 1HB ARG 11 HB2 ARG 11 57.754 8.939 1.808 68 2HB ARG 11 HB1 ARG 11 59.337 8.295 2.254 69 1HG ARG 11 HG2 ARG 11 59.893 10.865 1.366 70 2HG ARG 11 HG1 ARG 11 58.394 11.053 2.274 71 1HD ARG 11 HD2 ARG 11 60.636 9.418 3.427 72 2HD ARG 11 HD1 ARG 11 60.687 11.177 3.548 73 HE ARG 11 HE ARG 11 59.035 11.016 5.211 74 1HH1 ARG 11 HH11 ARG 11 56.720 10.083 3.886 75 2HH1 ARG 11 HH12 ARG 11 56.489 8.462 4.449 76 1HH2 ARG 11 HH21 ARG 11 59.731 8.128 5.634 77 2HH2 ARG 11 HH22 ARG 11 58.192 7.354 5.440 78 H ALA 12 HN ALA 12 59.441 11.311 -0.523 79 HA ALA 12 HA ALA 12 56.772 11.993 -1.199 80 1HB ALA 12 HB3 ALA 12 59.283 13.266 -1.252 81 2HB ALA 12 HB2 ALA 12 58.676 13.360 -2.904 82 3HB ALA 12 HB1 ALA 12 57.715 14.006 -1.574 83 H PHE 13 HN PHE 13 59.265 10.333 -3.029 84 HA PHE 13 HA PHE 13 57.683 10.453 -5.517 85 1HB PHE 13 HB2 PHE 13 60.070 10.576 -5.803 86 2HB PHE 13 HB1 PHE 13 60.321 9.145 -4.801 87 HD1 PHE 13 HD2 PHE 13 59.740 6.902 -5.630 88 HD2 PHE 13 HD1 PHE 13 59.288 10.390 -8.096 89 HE1 PHE 13 HE2 PHE 13 59.520 5.457 -7.633 90 HE2 PHE 13 HE1 PHE 13 59.068 8.945 -10.101 91 HZ PHE 13 HZ PHE 13 59.185 6.478 -9.869 92 H LEU 14 HN LEU 14 58.154 8.358 -2.798 93 HA LEU 14 HA LEU 14 56.947 6.048 -4.211 94 1HB LEU 14 HB2 LEU 14 57.742 6.208 -1.295 95 2HB LEU 14 HB1 LEU 14 57.523 4.760 -2.280 96 HG LEU 14 HG LEU 14 59.543 6.796 -3.147 97 1HD1 LEU 14 HD11 LEU 14 59.659 5.116 -0.698 98 2HD1 LEU 14 HD13 LEU 14 61.094 5.095 -1.724 99 3HD1 LEU 14 HD12 LEU 14 60.500 6.622 -1.072 100 1HD2 LEU 14 HD21 LEU 14 59.093 3.825 -3.396 101 2HD2 LEU 14 HD23 LEU 14 59.285 5.021 -4.677 102 3HD2 LEU 14 HD22 LEU 14 60.680 4.524 -3.719 103 H SER 15 HN SER 15 55.116 4.914 -3.005 104 HA SER 15 HA SER 15 53.202 6.983 -2.018 105 1HB SER 15 HB2 SER 15 52.154 4.312 -2.689 106 2HB SER 15 HB1 SER 15 51.556 5.904 -3.153 107 HG SER 15 HG SER 15 52.572 5.683 -4.970 108 H GLU 16 HN GLU 16 51.887 6.445 -0.159 109 HA GLU 16 HA GLU 16 53.205 5.355 2.043 110 1HB GLU 16 HB2 GLU 16 50.285 5.663 1.380 111 2HB GLU 16 HB1 GLU 16 50.771 4.870 2.880 112 1HG GLU 16 HG2 GLU 16 52.371 7.027 3.015 113 2HG GLU 16 HG1 GLU 16 51.058 7.720 2.063 114 H GLU 17 HN GLU 17 51.124 3.673 -0.297 115 HA GLU 17 HA GLU 17 51.218 1.125 1.055 116 1HB GLU 17 HB2 GLU 17 50.469 2.049 -1.704 117 2HB GLU 17 HB1 GLU 17 50.657 0.325 -1.391 118 1HG GLU 17 HG2 GLU 17 49.134 1.583 0.730 119 2HG GLU 17 HG1 GLU 17 48.391 1.893 -0.841 120 H MET 18 HN MET 18 53.234 2.668 -1.416 121 HA MET 18 HA MET 18 54.782 0.355 -2.092 122 1HB MET 18 HB2 MET 18 54.739 3.086 -2.811 123 2HB MET 18 HB1 MET 18 56.361 2.772 -2.194 124 1HG MET 18 HG2 MET 18 56.564 0.833 -3.708 125 2HG MET 18 HG1 MET 18 54.945 1.152 -4.331 126 1HE MET 18 HE1 MET 18 55.213 1.364 -6.500 127 2HE MET 18 HE3 MET 18 56.160 2.524 -7.442 128 3HE MET 18 HE2 MET 18 56.940 1.108 -6.739 129 H ILE 19 HN ILE 19 55.031 2.721 0.512 130 HA ILE 19 HA ILE 19 57.619 1.704 1.420 131 HB ILE 19 HB ILE 19 55.614 3.676 2.527 132 1HG1 ILE 19 HG12 ILE 19 58.375 4.522 2.261 133 2HG1 ILE 19 HG11 ILE 19 57.788 3.839 0.744 134 1HG2 ILE 19 HG23 ILE 19 56.581 2.434 4.431 135 2HG2 ILE 19 HG22 ILE 19 58.203 2.755 3.816 136 3HG2 ILE 19 HG21 ILE 19 57.194 4.087 4.379 137 1HD1 ILE 19 HD13 ILE 19 55.643 5.354 1.492 138 2HD1 ILE 19 HD12 ILE 19 56.972 6.316 2.138 139 3HD1 ILE 19 HD11 ILE 19 56.924 5.922 0.419 140 H ALA 20 HN ALA 20 54.228 1.128 2.127 141 HA ALA 20 HA ALA 20 54.641 -0.287 4.609 142 1HB ALA 20 HB3 ALA 20 52.433 0.606 3.254 143 2HB ALA 20 HB2 ALA 20 52.354 -1.126 2.935 144 3HB ALA 20 HB1 ALA 20 52.374 -0.536 4.596 145 H GLU 21 HN GLU 21 54.967 -1.101 1.259 146 HA GLU 21 HA GLU 21 54.873 -3.988 1.651 147 1HB GLU 21 HB2 GLU 21 54.334 -3.486 -0.541 148 2HB GLU 21 HB1 GLU 21 55.422 -2.103 -0.602 149 1HG GLU 21 HG2 GLU 21 57.220 -3.370 -1.233 150 2HG GLU 21 HG1 GLU 21 56.696 -4.771 -0.299 151 H PHE 22 HN PHE 22 57.473 -1.589 1.109 152 HA PHE 22 HA PHE 22 59.616 -3.489 1.290 153 1HB PHE 22 HB2 PHE 22 59.674 -0.529 1.952 154 2HB PHE 22 HB1 PHE 22 61.065 -1.540 1.558 155 HD1 PHE 22 HD1 PHE 22 59.659 -3.218 -0.595 156 HD2 PHE 22 HD2 PHE 22 59.856 1.015 0.105 157 HE1 PHE 22 HE1 PHE 22 59.281 -2.800 -3.011 158 HE2 PHE 22 HE2 PHE 22 59.479 1.433 -2.310 159 HZ PHE 22 HZ PHE 22 59.191 -0.475 -3.868 160 H LYS 23 HN LYS 23 57.823 -1.662 3.716 161 HA LYS 23 HA LYS 23 59.564 -1.967 5.922 162 1HB LYS 23 HB2 LYS 23 57.593 -0.586 6.129 163 2HB LYS 23 HB1 LYS 23 56.538 -1.961 5.801 164 1HG LYS 23 HG2 LYS 23 56.663 -1.429 8.230 165 2HG LYS 23 HG1 LYS 23 57.262 -3.049 7.870 166 1HD LYS 23 HD2 LYS 23 59.311 -2.543 8.655 167 2HD LYS 23 HD1 LYS 23 59.394 -1.092 7.654 168 1HE LYS 23 HE2 LYS 23 59.392 -0.071 9.715 169 2HE LYS 23 HE1 LYS 23 57.646 -0.219 9.501 170 1HZ LYS 23 HZ3 LYS 23 58.121 -2.567 10.553 171 2HZ LYS 23 HZ2 LYS 23 59.449 -1.746 11.223 172 3HZ LYS 23 HZ1 LYS 23 57.869 -1.198 11.521 173 H ALA 24 HN ALA 24 57.264 -4.250 4.505 174 HA ALA 24 HA ALA 24 57.398 -6.216 6.578 175 1HB ALA 24 HB1 ALA 24 55.850 -6.024 4.453 176 2HB ALA 24 HB3 ALA 24 57.110 -6.999 3.697 177 3HB ALA 24 HB2 ALA 24 56.250 -7.611 5.109 178 H ALA 25 HN ALA 25 59.426 -5.627 3.729 179 HA ALA 25 HA ALA 25 60.991 -8.036 4.017 180 1HB ALA 25 HB3 ALA 25 61.693 -5.404 2.680 181 2HB ALA 25 HB2 ALA 25 62.572 -6.919 2.477 182 3HB ALA 25 HB1 ALA 25 60.912 -6.779 1.899 183 H PHE 26 HN PHE 26 61.531 -4.652 5.033 184 HA PHE 26 HA PHE 26 64.086 -4.947 6.157 185 1HB PHE 26 HB2 PHE 26 62.700 -2.813 5.946 186 2HB PHE 26 HB1 PHE 26 61.888 -3.308 7.431 187 HD1 PHE 26 HD1 PHE 26 65.316 -2.803 6.010 188 HD2 PHE 26 HD2 PHE 26 62.818 -2.748 9.504 189 HE1 PHE 26 HE1 PHE 26 67.205 -1.906 7.346 190 HE2 PHE 26 HE2 PHE 26 64.706 -1.851 10.839 191 HZ PHE 26 HZ PHE 26 66.899 -1.432 9.762 192 H ASP 27 HN ASP 27 61.034 -5.071 8.038 193 HA ASP 27 HA ASP 27 62.124 -6.051 10.428 194 1HB ASP 27 HB2 ASP 27 59.696 -5.340 9.897 195 2HB ASP 27 HB1 ASP 27 59.459 -7.012 9.387 196 H MET 28 HN MET 28 61.704 -7.708 7.409 197 HA MET 28 HA MET 28 61.791 -10.386 8.553 198 1HB MET 28 HB2 MET 28 60.763 -10.477 6.490 199 2HB MET 28 HB1 MET 28 61.743 -9.174 5.826 200 1HG MET 28 HG2 MET 28 63.567 -10.608 5.398 201 2HG MET 28 HG1 MET 28 62.948 -11.862 6.471 202 1HE MET 28 HE2 MET 28 63.046 -10.051 3.395 203 2HE MET 28 HE1 MET 28 62.199 -10.984 2.164 204 3HE MET 28 HE3 MET 28 61.310 -9.841 3.178 205 H PHE 29 HN PHE 29 64.127 -8.147 7.076 206 HA PHE 29 HA PHE 29 66.317 -10.072 7.283 207 1HB PHE 29 HB2 PHE 29 66.095 -7.173 6.506 208 2HB PHE 29 HB1 PHE 29 67.675 -7.903 6.785 209 HD1 PHE 29 HD2 PHE 29 64.550 -8.191 4.785 210 HD2 PHE 29 HD1 PHE 29 68.658 -9.374 5.190 211 HE1 PHE 29 HE2 PHE 29 64.483 -9.202 2.521 212 HE2 PHE 29 HE1 PHE 29 68.592 -10.384 2.931 213 HZ PHE 29 HZ PHE 29 66.507 -10.299 1.595 214 H ASP 30 HN ASP 30 64.813 -7.799 9.380 215 HA ASP 30 HA ASP 30 67.192 -7.499 11.094 216 1HB ASP 30 HB2 ASP 30 65.674 -5.590 10.875 217 2HB ASP 30 HB1 ASP 30 64.327 -6.571 11.454 218 H ALA 31 HN ALA 31 66.935 -10.097 11.047 219 HA ALA 31 HA ALA 31 64.994 -11.146 12.955 220 1HB ALA 31 HB3 ALA 31 66.260 -12.332 10.945 221 2HB ALA 31 HB2 ALA 31 67.462 -12.661 12.194 222 3HB ALA 31 HB1 ALA 31 65.809 -13.243 12.387 223 H ASP 32 HN ASP 32 68.142 -9.740 13.142 224 HA ASP 32 HA ASP 32 68.985 -11.004 15.604 225 1HB ASP 32 HB2 ASP 32 70.158 -9.305 13.749 226 2HB ASP 32 HB1 ASP 32 69.982 -8.283 15.176 227 H GLY 33 HN GLY 33 67.183 -8.047 14.827 228 1HA GLY 33 HA2 GLY 33 65.476 -7.188 16.329 229 2HA GLY 33 HA1 GLY 33 66.329 -7.945 17.676 230 H GLY 34 HN GLY 34 68.367 -6.356 15.435 231 1HA GLY 34 HA2 GLY 34 68.955 -4.282 17.456 232 2HA GLY 34 HA1 GLY 34 69.921 -4.631 16.021 233 H GLY 35 HN GLY 35 66.986 -4.609 14.734 234 1HA GLY 35 HA2 GLY 35 65.611 -2.988 13.708 235 2HA GLY 35 HA1 GLY 35 66.351 -1.767 14.745 236 H ASP 36 HN ASP 36 68.355 -3.885 12.828 237 HA ASP 36 HA ASP 36 68.583 -2.058 10.570 238 1HB ASP 36 HB2 ASP 36 70.815 -1.256 10.984 239 2HB ASP 36 HB1 ASP 36 69.867 -0.902 12.430 240 H ILE 37 HN ILE 37 69.534 -3.115 8.839 241 HA ILE 37 HA ILE 37 70.519 -5.876 9.399 242 HB ILE 37 HB ILE 37 68.764 -6.177 7.923 243 1HG1 ILE 37 HG12 ILE 37 71.113 -5.572 6.102 244 2HG1 ILE 37 HG11 ILE 37 70.716 -7.133 6.822 245 1HG2 ILE 37 HG21 ILE 37 69.535 -3.477 6.822 246 2HG2 ILE 37 HG23 ILE 37 68.394 -4.527 5.982 247 3HG2 ILE 37 HG22 ILE 37 68.028 -3.951 7.608 248 1HD1 ILE 37 HD11 ILE 37 68.657 -5.742 5.142 249 2HD1 ILE 37 HD13 ILE 37 69.976 -6.598 4.348 250 3HD1 ILE 37 HD12 ILE 37 68.886 -7.465 5.428 251 H SER 38 HN SER 38 72.222 -6.618 7.778 252 HA SER 38 HA SER 38 74.340 -4.556 7.687 253 1HB SER 38 HB2 SER 38 75.671 -6.631 6.819 254 2HB SER 38 HB1 SER 38 75.198 -6.578 8.514 255 HG SER 38 HG SER 38 74.457 -8.504 7.897 256 H THR 39 HN THR 39 75.234 -3.778 5.769 257 HA THR 39 HA THR 39 73.612 -3.698 3.437 258 HB THR 39 HB THR 39 75.587 -2.726 2.324 259 HG1 THR 39 HG1 THR 39 77.547 -2.966 3.137 260 1HG2 THR 39 HG22 THR 39 74.766 -1.913 5.070 261 2HG2 THR 39 HG21 THR 39 76.183 -1.118 4.384 262 3HG2 THR 39 HG23 THR 39 74.632 -1.031 3.548 263 H LYS 40 HN LYS 40 75.917 -6.055 4.537 264 HA LYS 40 HA LYS 40 76.478 -7.260 1.974 265 1HB LYS 40 HB2 LYS 40 77.180 -9.235 3.361 266 2HB LYS 40 HB1 LYS 40 77.937 -7.723 3.860 267 1HG LYS 40 HG2 LYS 40 77.168 -8.157 5.936 268 2HG LYS 40 HG1 LYS 40 75.559 -7.796 5.314 269 1HD LYS 40 HD2 LYS 40 75.505 -9.987 6.364 270 2HD LYS 40 HD1 LYS 40 75.352 -10.199 4.619 271 1HE LYS 40 HE2 LYS 40 78.107 -10.207 5.063 272 2HE LYS 40 HE1 LYS 40 77.452 -11.132 6.414 273 1HZ LYS 40 HZ1 LYS 40 76.367 -11.677 3.759 274 2HZ LYS 40 HZ3 LYS 40 77.941 -12.222 4.076 275 3HZ LYS 40 HZ2 LYS 40 76.651 -12.738 5.056 276 H ALA 41 HN ALA 41 73.941 -7.683 4.392 277 HA ALA 41 HA ALA 41 72.803 -10.015 3.037 278 1HB ALA 41 HB2 ALA 41 72.640 -9.415 5.557 279 2HB ALA 41 HB1 ALA 41 71.367 -8.299 5.059 280 3HB ALA 41 HB3 ALA 41 71.190 -10.029 4.762 281 H LEU 42 HN LEU 42 72.804 -6.710 2.435 282 HA LEU 42 HA LEU 42 70.105 -6.242 1.627 283 1HB LEU 42 HB2 LEU 42 72.612 -4.859 1.507 284 2HB LEU 42 HB1 LEU 42 71.858 -4.795 -0.087 285 HG LEU 42 HG LEU 42 69.856 -3.829 0.797 286 1HD1 LEU 42 HD11 LEU 42 70.985 -4.796 3.394 287 2HD1 LEU 42 HD13 LEU 42 69.952 -3.367 3.415 288 3HD1 LEU 42 HD12 LEU 42 69.333 -4.894 2.787 289 1HD2 LEU 42 HD21 LEU 42 72.246 -2.597 2.198 290 2HD2 LEU 42 HD23 LEU 42 71.745 -2.266 0.540 291 3HD2 LEU 42 HD22 LEU 42 70.711 -1.785 1.886 292 H GLY 43 HN GLY 43 72.912 -7.541 -0.137 293 1HA GLY 43 HA2 GLY 43 71.806 -7.651 -2.725 294 2HA GLY 43 HA1 GLY 43 72.946 -8.846 -2.097 295 H THR 44 HN THR 44 71.125 -9.570 0.121 296 HA THR 44 HA THR 44 69.612 -11.620 -1.282 297 HB THR 44 HB THR 44 69.852 -10.816 1.624 298 HG1 THR 44 HG1 THR 44 70.451 -13.316 0.532 299 1HG2 THR 44 HG22 THR 44 67.720 -12.283 0.357 300 2HG2 THR 44 HG21 THR 44 68.640 -13.363 1.404 301 3HG2 THR 44 HG23 THR 44 67.926 -11.891 2.063 302 H VAL 45 HN VAL 45 68.846 -8.565 0.361 303 HA VAL 45 HA VAL 45 66.002 -8.865 0.347 304 HB VAL 45 HB VAL 45 67.539 -6.272 0.032 305 1HG1 VAL 45 HG11 VAL 45 64.780 -6.889 0.183 306 2HG1 VAL 45 HG13 VAL 45 65.224 -6.215 1.750 307 3HG1 VAL 45 HG12 VAL 45 65.525 -5.294 0.277 308 1HG2 VAL 45 HG21 VAL 45 68.099 -8.018 1.987 309 2HG2 VAL 45 HG23 VAL 45 68.036 -6.281 2.288 310 3HG2 VAL 45 HG22 VAL 45 66.654 -7.297 2.694 311 H MET 46 HN MET 46 68.216 -7.401 -2.040 312 HA MET 46 HA MET 46 66.348 -6.478 -3.910 313 1HB MET 46 HB2 MET 46 68.969 -7.888 -4.507 314 2HB MET 46 HB1 MET 46 68.094 -6.828 -5.612 315 1HG MET 46 HG2 MET 46 69.332 -6.056 -2.955 316 2HG MET 46 HG1 MET 46 69.849 -5.530 -4.557 317 1HE MET 46 HE1 MET 46 69.364 -3.463 -5.443 318 2HE MET 46 HE3 MET 46 68.401 -2.227 -4.619 319 3HE MET 46 HE2 MET 46 69.747 -3.000 -3.786 320 H ARG 47 HN ARG 47 67.732 -9.770 -3.681 321 HA ARG 47 HA ARG 47 66.233 -10.869 -5.849 322 1HB ARG 47 HB2 ARG 47 68.101 -11.809 -3.952 323 2HB ARG 47 HB1 ARG 47 66.665 -12.815 -3.754 324 1HG ARG 47 HG2 ARG 47 66.660 -13.378 -6.111 325 2HG ARG 47 HG1 ARG 47 67.965 -12.233 -6.430 326 1HD ARG 47 HD2 ARG 47 68.608 -14.169 -4.318 327 2HD ARG 47 HD1 ARG 47 68.310 -14.919 -5.887 328 HE ARG 47 HE ARG 47 70.319 -12.732 -5.502 329 1HH1 ARG 47 HH21 ARG 47 70.276 -12.997 -8.232 330 2HH1 ARG 47 HH22 ARG 47 71.195 -14.412 -8.624 331 1HH2 ARG 47 HH11 ARG 47 71.037 -15.723 -5.417 332 2HH2 ARG 47 HH12 ARG 47 71.626 -15.956 -7.031 333 H MET 48 HN MET 48 65.497 -10.527 -2.394 334 HA MET 48 HA MET 48 63.136 -12.099 -2.321 335 1HB MET 48 HB2 MET 48 63.781 -9.560 -0.788 336 2HB MET 48 HB1 MET 48 62.498 -10.698 -0.374 337 1HG MET 48 HG2 MET 48 65.206 -11.858 -0.751 338 2HG MET 48 HG1 MET 48 64.981 -10.852 0.677 339 1HE MET 48 HE2 MET 48 64.535 -11.723 2.683 340 2HE MET 48 HE1 MET 48 64.009 -13.362 3.059 341 3HE MET 48 HE3 MET 48 65.520 -13.094 2.181 342 H LEU 49 HN LEU 49 63.615 -8.694 -3.238 343 HA LEU 49 HA LEU 49 60.750 -8.323 -3.748 344 1HB LEU 49 HB2 LEU 49 62.770 -6.422 -4.849 345 2HB LEU 49 HB1 LEU 49 61.241 -6.089 -4.036 346 HG LEU 49 HG LEU 49 63.874 -6.889 -2.783 347 1HD1 LEU 49 HD11 LEU 49 62.352 -4.442 -3.119 348 2HD1 LEU 49 HD13 LEU 49 62.613 -4.789 -1.410 349 3HD1 LEU 49 HD12 LEU 49 63.991 -4.657 -2.503 350 1HD2 LEU 49 HD21 LEU 49 61.138 -7.453 -1.905 351 2HD2 LEU 49 HD23 LEU 49 62.666 -8.062 -1.269 352 3HD2 LEU 49 HD22 LEU 49 62.045 -6.504 -0.726 353 H GLY 50 HN GLY 50 63.399 -9.627 -5.446 354 1HA GLY 50 HA2 GLY 50 62.949 -10.798 -7.561 355 2HA GLY 50 HA1 GLY 50 61.810 -9.514 -7.971 356 H GLN 51 HN GLN 51 63.974 -7.623 -6.755 357 HA GLN 51 HA GLN 51 65.118 -6.819 -9.258 358 1HB GLN 51 HB2 GLN 51 64.840 -5.621 -6.836 359 2HB GLN 51 HB1 GLN 51 66.550 -6.048 -6.777 360 1HG GLN 51 HG2 GLN 51 67.108 -4.562 -8.410 361 2HG GLN 51 HG1 GLN 51 65.649 -4.892 -9.343 362 1HE2 GLN 51 HE22 GLN 51 65.454 -2.066 -6.352 363 2HE2 GLN 51 HE21 GLN 51 66.606 -3.307 -6.240 364 H ASN 52 HN ASN 52 67.022 -7.417 -10.234 365 HA ASN 52 HA ASN 52 68.906 -9.118 -8.659 366 1HB ASN 52 HB2 ASN 52 67.449 -10.504 -10.171 367 2HB ASN 52 HB1 ASN 52 68.120 -9.622 -11.543 368 1HD2 ASN 52 HD22 ASN 52 70.426 -12.384 -11.501 369 2HD2 ASN 52 HD21 ASN 52 68.968 -11.853 -12.189 370 HA PRO 53 HA PRO 53 71.035 -5.674 -10.915 371 1HB PRO 53 HB2 PRO 53 72.134 -4.531 -8.669 372 2HB PRO 53 HB1 PRO 53 70.552 -4.077 -9.325 373 1HG PRO 53 HG2 PRO 53 71.183 -5.709 -6.911 374 2HG PRO 53 HG1 PRO 53 69.752 -4.727 -7.257 375 1HD PRO 53 HD2 PRO 53 69.917 -7.545 -7.463 376 2HD PRO 53 HD1 PRO 53 68.617 -6.525 -8.115 377 H THR 54 HN THR 54 73.398 -5.441 -11.127 378 HA THR 54 HA THR 54 74.812 -7.926 -10.632 379 HB THR 54 HB THR 54 75.435 -6.793 -12.619 380 HG1 THR 54 HG1 THR 54 77.225 -7.550 -11.413 381 1HG2 THR 54 HG23 THR 54 75.092 -4.431 -10.919 382 2HG2 THR 54 HG22 THR 54 76.500 -4.327 -11.976 383 3HG2 THR 54 HG21 THR 54 74.899 -4.597 -12.664 384 H LYS 55 HN LYS 55 76.548 -8.269 -9.183 385 HA LYS 55 HA LYS 55 76.401 -7.135 -6.622 386 1HB LYS 55 HB2 LYS 55 77.656 -9.224 -7.235 387 2HB LYS 55 HB1 LYS 55 78.924 -8.205 -7.917 388 1HG LYS 55 HG2 LYS 55 78.199 -7.328 -5.242 389 2HG LYS 55 HG1 LYS 55 78.705 -9.017 -5.246 390 1HD LYS 55 HD2 LYS 55 80.603 -7.983 -6.866 391 2HD LYS 55 HD1 LYS 55 80.274 -6.569 -5.864 392 1HE LYS 55 HE2 LYS 55 82.001 -7.778 -4.738 393 2HE LYS 55 HE1 LYS 55 80.519 -8.110 -3.844 394 1HZ LYS 55 HZ3 LYS 55 80.574 -10.021 -5.787 395 2HZ LYS 55 HZ2 LYS 55 82.198 -9.903 -5.305 396 3HZ LYS 55 HZ1 LYS 55 80.991 -10.243 -4.158 397 H GLU 56 HN GLU 56 78.036 -5.943 -9.481 398 HA GLU 56 HA GLU 56 79.770 -4.062 -8.174 399 1HB GLU 56 HB2 GLU 56 79.014 -4.734 -10.877 400 2HB GLU 56 HB1 GLU 56 78.989 -2.982 -10.673 401 1HG GLU 56 HG2 GLU 56 81.298 -3.942 -9.322 402 2HG GLU 56 HG1 GLU 56 81.266 -4.717 -10.906 403 H GLU 57 HN GLU 57 76.715 -3.417 -9.940 404 HA GLU 57 HA GLU 57 76.362 -0.763 -9.111 405 1HB GLU 57 HB2 GLU 57 74.487 -2.957 -9.909 406 2HB GLU 57 HB1 GLU 57 73.806 -1.477 -9.229 407 1HG GLU 57 HG2 GLU 57 75.895 -1.185 -11.341 408 2HG GLU 57 HG1 GLU 57 74.294 -1.721 -11.850 409 H LEU 58 HN LEU 58 75.780 -3.737 -7.329 410 HA LEU 58 HA LEU 58 74.187 -2.640 -5.224 411 1HB LEU 58 HB2 LEU 58 74.858 -5.130 -5.791 412 2HB LEU 58 HB1 LEU 58 76.194 -4.806 -4.685 413 HG LEU 58 HG LEU 58 73.693 -3.817 -3.597 414 1HD1 LEU 58 HD12 LEU 58 72.982 -5.825 -5.099 415 2HD1 LEU 58 HD11 LEU 58 73.786 -6.813 -3.882 416 3HD1 LEU 58 HD13 LEU 58 72.426 -5.789 -3.427 417 1HD2 LEU 58 HD23 LEU 58 75.771 -4.253 -2.325 418 2HD2 LEU 58 HD22 LEU 58 74.424 -5.193 -1.683 419 3HD2 LEU 58 HD21 LEU 58 75.638 -5.970 -2.700 420 H ASP 59 HN ASP 59 77.727 -3.052 -5.509 421 HA ASP 59 HA ASP 59 78.403 -1.994 -2.959 422 1HB ASP 59 HB2 ASP 59 79.782 -2.730 -5.371 423 2HB ASP 59 HB1 ASP 59 80.391 -1.168 -4.820 424 H ALA 60 HN ALA 60 78.044 -0.331 -6.106 425 HA ALA 60 HA ALA 60 78.665 2.282 -5.122 426 1HB ALA 60 HB2 ALA 60 76.874 1.457 -7.431 427 2HB ALA 60 HB1 ALA 60 77.485 3.088 -7.155 428 3HB ALA 60 HB3 ALA 60 78.606 1.778 -7.526 429 H ILE 61 HN ILE 61 75.764 0.334 -5.004 430 HA ILE 61 HA ILE 61 73.930 2.471 -4.369 431 HB ILE 61 HB ILE 61 73.879 -0.525 -3.958 432 1HG1 ILE 61 HG12 ILE 61 72.171 1.313 -5.661 433 2HG1 ILE 61 HG11 ILE 61 73.608 0.478 -6.253 434 1HG2 ILE 61 HG22 ILE 61 72.626 0.564 -2.112 435 2HG2 ILE 61 HG21 ILE 61 71.683 1.462 -3.302 436 3HG2 ILE 61 HG23 ILE 61 71.551 -0.294 -3.217 437 1HD1 ILE 61 HD11 ILE 61 72.414 -1.654 -5.263 438 2HD1 ILE 61 HD13 ILE 61 70.962 -0.667 -5.424 439 3HD1 ILE 61 HD12 ILE 61 71.939 -1.034 -6.845 440 H ILE 62 HN ILE 62 75.727 0.126 -2.363 441 HA ILE 62 HA ILE 62 74.790 1.096 0.156 442 HB ILE 62 HB ILE 62 77.354 -0.319 -0.620 443 1HG1 ILE 62 HG12 ILE 62 75.114 -1.506 0.979 444 2HG1 ILE 62 HG11 ILE 62 74.902 -1.336 -0.764 445 1HG2 ILE 62 HG23 ILE 62 77.470 1.050 1.530 446 2HG2 ILE 62 HG22 ILE 62 76.213 -0.013 2.165 447 3HG2 ILE 62 HG21 ILE 62 77.782 -0.677 1.705 448 1HD1 ILE 62 HD13 ILE 62 77.128 -2.503 -1.054 449 2HD1 ILE 62 HD12 ILE 62 77.099 -2.842 0.676 450 3HD1 ILE 62 HD11 ILE 62 75.853 -3.514 -0.375 451 H GLU 63 HN GLU 63 77.569 2.016 -1.857 452 HA GLU 63 HA GLU 63 78.725 3.828 0.051 453 1HB GLU 63 HB2 GLU 63 78.911 3.710 -2.972 454 2HB GLU 63 HB1 GLU 63 79.883 4.786 -1.967 455 1HG GLU 63 HG2 GLU 63 80.908 2.917 -0.834 456 2HG GLU 63 HG1 GLU 63 79.809 1.779 -1.611 457 H GLU 64 HN GLU 64 75.934 4.036 -1.945 458 HA GLU 64 HA GLU 64 75.889 7.006 -1.664 459 1HB GLU 64 HB2 GLU 64 74.521 5.075 -3.526 460 2HB GLU 64 HB1 GLU 64 73.858 6.689 -3.270 461 1HG GLU 64 HG2 GLU 64 76.782 6.432 -3.860 462 2HG GLU 64 HG1 GLU 64 75.637 6.246 -5.190 463 H VAL 65 HN VAL 65 74.632 4.169 -0.288 464 HA VAL 65 HA VAL 65 72.136 5.505 0.607 465 HB VAL 65 HB VAL 65 73.173 2.675 0.906 466 1HG1 VAL 65 HG13 VAL 65 70.732 4.028 2.075 467 2HG1 VAL 65 HG12 VAL 65 70.844 2.279 1.877 468 3HG1 VAL 65 HG11 VAL 65 71.981 3.121 2.931 469 1HG2 VAL 65 HG22 VAL 65 71.484 4.101 -0.989 470 2HG2 VAL 65 HG21 VAL 65 72.147 2.470 -1.097 471 3HG2 VAL 65 HG23 VAL 65 70.622 2.750 -0.254 472 H ASP 66 HN ASP 66 75.317 4.671 1.730 473 HA ASP 66 HA ASP 66 74.595 5.022 4.566 474 1HB ASP 66 HB2 ASP 66 76.813 3.901 3.088 475 2HB ASP 66 HB1 ASP 66 77.402 5.072 4.267 476 H GLU 67 HN GLU 67 73.762 7.291 3.805 477 HA GLU 67 HA GLU 67 75.684 9.344 3.197 478 1HB GLU 67 HB2 GLU 67 72.948 9.563 4.489 479 2HB GLU 67 HB1 GLU 67 73.871 10.911 3.824 480 1HG GLU 67 HG2 GLU 67 72.797 8.519 2.307 481 2HG GLU 67 HG1 GLU 67 72.278 10.196 2.146 482 H ASP 68 HN ASP 68 74.819 7.726 6.123 483 HA ASP 68 HA ASP 68 76.081 9.864 7.766 484 1HB ASP 68 HB2 ASP 68 75.304 8.252 9.662 485 2HB ASP 68 HB1 ASP 68 74.082 9.193 8.807 486 H GLY 69 HN GLY 69 76.742 6.821 6.334 487 1HA GLY 69 HA2 GLY 69 78.715 5.544 6.353 488 2HA GLY 69 HA1 GLY 69 79.466 6.838 7.288 489 H SER 70 HN SER 70 76.513 5.321 8.392 490 HA SER 70 HA SER 70 77.612 4.686 10.954 491 1HB SER 70 HB2 SER 70 75.521 3.464 11.333 492 2HB SER 70 HB1 SER 70 75.184 4.992 10.527 493 HG SER 70 HG SER 70 74.266 2.846 9.702 494 H GLY 71 HN GLY 71 77.339 2.840 7.967 495 1HA GLY 71 HA2 GLY 71 78.946 1.049 7.513 496 2HA GLY 71 HA1 GLY 71 78.998 0.719 9.246 497 H THR 72 HN THR 72 75.827 1.291 8.590 498 HA THR 72 HA THR 72 75.245 -1.480 7.683 499 HB THR 72 HB THR 72 73.418 -1.434 9.568 500 HG1 THR 72 HG1 THR 72 75.393 0.078 10.869 501 1HG2 THR 72 HG21 THR 72 76.146 -2.355 9.435 502 2HG2 THR 72 HG23 THR 72 75.740 -1.937 11.100 503 3HG2 THR 72 HG22 THR 72 74.761 -3.113 10.222 504 H ILE 73 HN ILE 73 72.552 -1.514 7.820 505 HA ILE 73 HA ILE 73 71.643 1.015 6.515 506 HB ILE 73 HB ILE 73 71.211 -1.831 5.568 507 1HG1 ILE 73 HG12 ILE 73 73.321 -0.537 4.938 508 2HG1 ILE 73 HG11 ILE 73 72.349 -1.116 3.586 509 1HG2 ILE 73 HG21 ILE 73 69.755 0.727 4.955 510 2HG2 ILE 73 HG23 ILE 73 69.921 -0.511 3.709 511 3HG2 ILE 73 HG22 ILE 73 69.098 -0.887 5.223 512 1HD1 ILE 73 HD11 ILE 73 71.665 1.578 4.638 513 2HD1 ILE 73 HD13 ILE 73 73.200 1.440 3.779 514 3HD1 ILE 73 HD12 ILE 73 71.695 0.993 2.974 515 H ASP 74 HN ASP 74 69.424 1.511 6.874 516 HA ASP 74 HA ASP 74 67.952 -0.326 8.702 517 1HB ASP 74 HB2 ASP 74 67.273 1.577 10.102 518 2HB ASP 74 HB1 ASP 74 69.032 1.435 10.074 519 H PHE 75 HN PHE 75 65.574 0.513 8.893 520 HA PHE 75 HA PHE 75 64.329 0.451 6.393 521 1HB PHE 75 HB2 PHE 75 63.286 0.260 8.751 522 2HB PHE 75 HB1 PHE 75 63.163 2.020 8.692 523 HD1 PHE 75 HD2 PHE 75 62.778 -0.554 6.006 524 HD2 PHE 75 HD1 PHE 75 60.904 2.540 8.320 525 HE1 PHE 75 HE2 PHE 75 60.739 -0.741 4.604 526 HE2 PHE 75 HE1 PHE 75 58.865 2.354 6.919 527 HZ PHE 75 HZ PHE 75 58.783 0.713 5.061 528 H GLU 76 HN GLU 76 65.205 3.338 8.306 529 HA GLU 76 HA GLU 76 64.141 5.308 6.600 530 1HB GLU 76 HB2 GLU 76 66.594 5.276 8.361 531 2HB GLU 76 HB1 GLU 76 66.134 6.712 7.445 532 1HG GLU 76 HG2 GLU 76 65.089 7.008 9.549 533 2HG GLU 76 HG1 GLU 76 63.799 6.412 8.504 534 H GLU 77 HN GLU 77 67.552 4.194 6.580 535 HA GLU 77 HA GLU 77 68.161 5.431 4.071 536 1HB GLU 77 HB2 GLU 77 69.493 2.995 5.289 537 2HB GLU 77 HB1 GLU 77 70.197 4.106 4.114 538 1HG GLU 77 HG2 GLU 77 70.261 5.895 5.690 539 2HG GLU 77 HG1 GLU 77 69.216 5.032 6.819 540 H PHE 78 HN PHE 78 66.286 2.693 4.805 541 HA PHE 78 HA PHE 78 66.847 1.050 2.517 542 1HB PHE 78 HB2 PHE 78 65.236 0.830 4.753 543 2HB PHE 78 HB1 PHE 78 64.061 1.019 3.449 544 HD1 PHE 78 HD1 PHE 78 66.991 -0.977 4.579 545 HD2 PHE 78 HD2 PHE 78 63.663 -0.725 1.876 546 HE1 PHE 78 HE1 PHE 78 67.367 -3.332 3.897 547 HE2 PHE 78 HE2 PHE 78 64.038 -3.079 1.193 548 HZ PHE 78 HZ PHE 78 65.891 -4.383 2.204 549 H LEU 79 HN LEU 79 64.071 3.234 3.111 550 HA LEU 79 HA LEU 79 62.900 3.197 0.599 551 1HB LEU 79 HB2 LEU 79 63.358 5.679 2.287 552 2HB LEU 79 HB1 LEU 79 62.121 5.484 1.044 553 HG LEU 79 HG LEU 79 62.351 3.791 3.549 554 1HD1 LEU 79 HD13 LEU 79 60.464 6.040 2.795 555 2HD1 LEU 79 HD12 LEU 79 60.235 4.975 4.182 556 3HD1 LEU 79 HD11 LEU 79 61.636 6.045 4.114 557 1HD2 LEU 79 HD22 LEU 79 60.331 3.892 1.290 558 2HD2 LEU 79 HD21 LEU 79 61.357 2.529 1.738 559 3HD2 LEU 79 HD23 LEU 79 60.056 3.042 2.811 560 H VAL 80 HN VAL 80 65.878 4.819 1.562 561 HA VAL 80 HA VAL 80 66.197 6.338 -0.875 562 HB VAL 80 HB VAL 80 68.265 5.388 1.131 563 1HG1 VAL 80 HG12 VAL 80 68.365 7.164 -1.281 564 2HG1 VAL 80 HG11 VAL 80 69.369 7.573 0.111 565 3HG1 VAL 80 HG13 VAL 80 69.563 6.013 -0.690 566 1HG2 VAL 80 HG22 VAL 80 66.514 7.835 0.908 567 2HG2 VAL 80 HG21 VAL 80 66.776 6.794 2.307 568 3HG2 VAL 80 HG23 VAL 80 68.047 7.896 1.777 569 H MET 81 HN MET 81 67.460 3.190 0.231 570 HA MET 81 HA MET 81 69.114 2.593 -1.962 571 1HB MET 81 HB2 MET 81 69.064 1.158 -0.005 572 2HB MET 81 HB1 MET 81 67.369 0.757 -0.296 573 1HG MET 81 HG2 MET 81 67.866 -0.717 -1.959 574 2HG MET 81 HG1 MET 81 69.193 0.269 -2.571 575 1HE MET 81 HE3 MET 81 70.948 0.956 -1.017 576 2HE MET 81 HE2 MET 81 70.966 0.379 0.647 577 3HE MET 81 HE1 MET 81 72.112 -0.279 -0.518 578 H MET 82 HN MET 82 65.600 2.288 -1.634 579 HA MET 82 HA MET 82 65.166 0.864 -4.087 580 1HB MET 82 HB2 MET 82 63.353 2.751 -2.553 581 2HB MET 82 HB1 MET 82 62.827 1.719 -3.885 582 1HG MET 82 HG2 MET 82 64.261 0.548 -1.507 583 2HG MET 82 HG1 MET 82 62.521 0.832 -1.462 584 1HE MET 82 HE2 MET 82 65.445 -0.702 -2.607 585 2HE MET 82 HE1 MET 82 64.955 -2.374 -2.861 586 3HE MET 82 HE3 MET 82 65.130 -1.281 -4.241 587 H VAL 83 HN VAL 83 64.741 4.350 -3.359 588 HA VAL 83 HA VAL 83 64.293 5.153 -6.051 589 HB VAL 83 HB VAL 83 65.733 6.888 -4.048 590 1HG1 VAL 83 HG11 VAL 83 64.530 7.278 -6.577 591 2HG1 VAL 83 HG13 VAL 83 63.442 8.015 -5.399 592 3HG1 VAL 83 HG12 VAL 83 65.131 8.519 -5.476 593 1HG2 VAL 83 HG21 VAL 83 62.994 5.702 -3.892 594 2HG2 VAL 83 HG23 VAL 83 64.098 6.149 -2.590 595 3HG2 VAL 83 HG22 VAL 83 63.177 7.395 -3.432 596 H ARG 84 HN ARG 84 67.188 4.191 -4.432 597 HA ARG 84 HA ARG 84 69.090 5.594 -6.070 598 1HB ARG 84 HB2 ARG 84 69.244 3.081 -4.400 599 2HB ARG 84 HB1 ARG 84 70.632 3.689 -5.304 600 1HG ARG 84 HG2 ARG 84 69.503 5.906 -3.937 601 2HG ARG 84 HG1 ARG 84 69.621 4.589 -2.771 602 1HD ARG 84 HD2 ARG 84 71.744 5.547 -2.610 603 2HD ARG 84 HD1 ARG 84 72.020 4.269 -3.795 604 HE ARG 84 HE ARG 84 72.247 7.092 -4.306 605 1HH1 ARG 84 HH21 ARG 84 70.672 7.502 -6.307 606 2HH1 ARG 84 HH22 ARG 84 71.109 6.501 -7.651 607 1HH2 ARG 84 HH11 ARG 84 73.025 4.324 -5.752 608 2HH2 ARG 84 HH12 ARG 84 72.439 4.702 -7.337 609 H GLN 85 HN GLN 85 67.327 2.566 -6.465 610 HA GLN 85 HA GLN 85 68.895 1.822 -8.832 611 1HB GLN 85 HB2 GLN 85 68.218 -0.061 -7.612 612 2HB GLN 85 HB1 GLN 85 66.626 0.612 -7.269 613 1HG GLN 85 HG2 GLN 85 65.749 -0.212 -9.175 614 2HG GLN 85 HG1 GLN 85 67.140 0.296 -10.132 615 1HE2 GLN 85 HE22 GLN 85 67.784 -3.196 -10.429 616 2HE2 GLN 85 HE21 GLN 85 67.208 -1.816 -11.234 617 H MET 86 HN MET 86 65.875 3.430 -8.065 618 HA MET 86 HA MET 86 65.013 3.318 -10.898 619 1HB MET 86 HB2 MET 86 62.932 4.230 -10.150 620 2HB MET 86 HB1 MET 86 63.402 3.034 -8.941 621 1HG MET 86 HG2 MET 86 63.108 4.693 -7.428 622 2HG MET 86 HG1 MET 86 64.637 5.333 -8.028 623 1HE MET 86 HE3 MET 86 65.102 7.051 -8.798 624 2HE MET 86 HE2 MET 86 64.295 8.010 -10.036 625 3HE MET 86 HE1 MET 86 64.100 8.433 -8.337 626 H LYS 87 HN LYS 87 67.228 5.078 -9.336 627 HA LYS 87 HA LYS 87 66.389 7.720 -10.397 628 1HB LYS 87 HB2 LYS 87 68.047 6.824 -8.220 629 2HB LYS 87 HB1 LYS 87 68.999 7.854 -9.292 630 1HG LYS 87 HG2 LYS 87 66.226 8.702 -8.507 631 2HG LYS 87 HG1 LYS 87 67.564 8.953 -7.384 632 1HD LYS 87 HD2 LYS 87 68.157 10.789 -8.535 633 2HD LYS 87 HD1 LYS 87 68.465 9.781 -9.949 634 1HE LYS 87 HE2 LYS 87 66.831 11.151 -10.831 635 2HE LYS 87 HE1 LYS 87 65.802 9.895 -10.140 636 1HZ LYS 87 HZ2 LYS 87 66.328 11.649 -8.083 637 2HZ LYS 87 HZ1 LYS 87 66.005 12.634 -9.429 638 3HZ LYS 87 HZ3 LYS 87 64.866 11.480 -8.930 639 H GLU 88 HN GLU 88 67.583 5.130 -11.818 640 HA GLU 88 HA GLU 88 68.940 4.759 -13.696 641 1HB GLU 88 HB2 GLU 88 68.405 7.727 -13.872 642 2HB GLU 88 HB1 GLU 88 69.381 6.889 -15.079 643 1HG GLU 88 HG2 GLU 88 67.476 5.278 -15.403 644 2HG GLU 88 HG1 GLU 88 66.504 6.294 -14.337 645 H ASP 89 HN ASP 89 71.169 5.065 -14.490 646 HA ASP 89 HA ASP 89 72.924 6.485 -12.530 647 1HB ASP 89 HB2 ASP 89 73.042 3.646 -13.497 648 2HB ASP 89 HB1 ASP 89 74.547 4.486 -13.125 649 H ALA 90 HN ALA 90 71.892 7.012 -15.366 650 HA ALA 90 HA ALA 90 74.274 8.203 -16.401 651 1HB ALA 90 HB3 ALA 90 73.445 5.570 -17.649 652 2HB ALA 90 HB2 ALA 90 74.499 6.735 -18.450 653 3HB ALA 90 HB1 ALA 90 75.012 5.971 -16.945 No H/Q in entry = 653 Start of MODEL 40 1 1H ALA 1 HT3 ALA 1 63.149 11.539 12.434 2 2H ALA 1 HT2 ALA 1 64.370 10.557 13.091 3 3H ALA 1 HT1 ALA 1 62.962 10.879 13.986 4 HA ALA 1 HA ALA 1 63.677 12.870 14.688 5 1HB ALA 1 HB1 ALA 1 65.810 11.023 14.357 6 2HB ALA 1 HB3 ALA 1 66.439 12.614 13.929 7 3HB ALA 1 HB2 ALA 1 65.706 12.351 15.512 8 H SER 2 HN SER 2 65.373 12.255 11.593 9 HA SER 2 HA SER 2 64.536 14.956 10.699 10 1HB SER 2 HB2 SER 2 66.648 15.805 10.435 11 2HB SER 2 HB1 SER 2 67.015 14.690 11.748 12 HG SER 2 HG SER 2 67.514 14.475 8.994 13 H MET 3 HN MET 3 64.897 15.204 8.310 14 HA MET 3 HA MET 3 64.909 12.541 6.945 15 1HB MET 3 HB2 MET 3 63.048 14.870 6.699 16 2HB MET 3 HB1 MET 3 63.416 13.947 5.241 17 1HG MET 3 HG2 MET 3 62.417 12.017 6.041 18 2HG MET 3 HG1 MET 3 62.714 12.439 7.729 19 1HE MET 3 HE2 MET 3 60.849 12.554 9.083 20 2HE MET 3 HE1 MET 3 59.182 12.793 8.560 21 3HE MET 3 HE3 MET 3 60.126 11.438 7.926 22 H THR 4 HN THR 4 66.946 12.542 6.040 23 HA THR 4 HA THR 4 68.319 14.869 5.100 24 HB THR 4 HB THR 4 69.605 13.052 3.717 25 HG1 THR 4 HG1 THR 4 69.226 10.969 4.607 26 1HG2 THR 4 HG22 THR 4 69.712 13.951 6.390 27 2HG2 THR 4 HG21 THR 4 69.955 12.206 6.452 28 3HG2 THR 4 HG23 THR 4 71.013 13.209 5.459 29 H ASP 5 HN ASP 5 68.879 15.260 2.758 30 HA ASP 5 HA ASP 5 66.532 15.637 1.191 31 1HB ASP 5 HB2 ASP 5 69.425 16.009 0.847 32 2HB ASP 5 HB1 ASP 5 68.587 15.620 -0.655 33 H GLN 6 HN GLN 6 69.004 13.078 1.124 34 HA GLN 6 HA GLN 6 68.142 11.723 -1.205 35 1HB GLN 6 HB2 GLN 6 69.121 9.688 -0.151 36 2HB GLN 6 HB1 GLN 6 70.190 11.084 -0.021 37 1HG GLN 6 HG2 GLN 6 69.178 11.505 2.272 38 2HG GLN 6 HG1 GLN 6 68.400 9.928 2.130 39 1HE2 GLN 6 HE22 GLN 6 71.944 8.536 1.772 40 2HE2 GLN 6 HE21 GLN 6 70.721 8.767 0.617 41 H GLN 7 HN GLN 7 67.062 11.299 2.173 42 HA GLN 7 HA GLN 7 64.986 9.402 1.392 43 1HB GLN 7 HB2 GLN 7 65.673 10.832 3.963 44 2HB GLN 7 HB1 GLN 7 64.226 9.834 3.816 45 1HG GLN 7 HG2 GLN 7 65.440 7.867 3.563 46 2HG GLN 7 HG1 GLN 7 66.858 8.704 2.932 47 1HE2 GLN 7 HE22 GLN 7 68.150 8.101 6.212 48 2HE2 GLN 7 HE21 GLN 7 68.167 7.551 4.606 49 H ALA 8 HN ALA 8 65.298 12.790 1.335 50 HA ALA 8 HA ALA 8 62.549 13.502 1.894 51 1HB ALA 8 HB1 ALA 8 64.558 15.072 1.914 52 2HB ALA 8 HB3 ALA 8 64.489 15.042 0.152 53 3HB ALA 8 HB2 ALA 8 63.129 15.679 1.077 54 H GLU 9 HN GLU 9 64.374 12.890 -1.108 55 HA GLU 9 HA GLU 9 61.944 13.221 -2.729 56 1HB GLU 9 HB2 GLU 9 64.836 12.644 -3.291 57 2HB GLU 9 HB1 GLU 9 63.630 12.283 -4.527 58 1HG GLU 9 HG2 GLU 9 62.811 14.757 -3.827 59 2HG GLU 9 HG1 GLU 9 64.533 14.913 -3.475 60 H ALA 10 HN ALA 10 63.672 10.663 -1.149 61 HA ALA 10 HA ALA 10 62.727 8.477 -2.773 62 1HB ALA 10 HB3 ALA 10 64.629 8.297 -1.168 63 2HB ALA 10 HB2 ALA 10 63.486 8.462 0.165 64 3HB ALA 10 HB1 ALA 10 63.403 7.058 -0.899 65 H ARG 11 HN ARG 11 61.518 9.965 0.237 66 HA ARG 11 HA ARG 11 59.250 8.199 0.474 67 1HB ARG 11 HB2 ARG 11 60.405 10.245 2.014 68 2HB ARG 11 HB1 ARG 11 58.788 10.826 1.617 69 1HG ARG 11 HG2 ARG 11 57.752 8.901 2.566 70 2HG ARG 11 HG1 ARG 11 59.284 8.033 2.655 71 1HD ARG 11 HD2 ARG 11 60.104 9.500 4.381 72 2HD ARG 11 HD1 ARG 11 58.731 10.590 4.179 73 HE ARG 11 HE ARG 11 57.321 8.942 5.266 74 1HH1 ARG 11 HH11 ARG 11 59.777 7.016 4.240 75 2HH1 ARG 11 HH12 ARG 11 60.088 6.244 5.760 76 1HH2 ARG 11 HH21 ARG 11 58.090 8.421 7.576 77 2HH2 ARG 11 HH22 ARG 11 59.135 7.040 7.648 78 H ALA 12 HN ALA 12 59.782 11.303 -1.135 79 HA ALA 12 HA ALA 12 57.030 11.859 -1.717 80 1HB ALA 12 HB1 ALA 12 59.637 12.707 -2.977 81 2HB ALA 12 HB3 ALA 12 58.089 13.206 -3.659 82 3HB ALA 12 HB2 ALA 12 58.518 13.673 -2.013 83 H PHE 13 HN PHE 13 59.445 9.832 -3.290 84 HA PHE 13 HA PHE 13 57.788 9.405 -5.666 85 1HB PHE 13 HB2 PHE 13 60.215 9.278 -5.880 86 2HB PHE 13 HB1 PHE 13 60.283 7.999 -4.668 87 HD1 PHE 13 HD1 PHE 13 58.429 8.768 -7.845 88 HD2 PHE 13 HD2 PHE 13 60.423 5.815 -5.448 89 HE1 PHE 13 HE1 PHE 13 58.039 7.072 -9.612 90 HE2 PHE 13 HE2 PHE 13 60.031 4.117 -7.213 91 HZ PHE 13 HZ PHE 13 58.839 4.745 -9.295 92 H LEU 14 HN LEU 14 58.498 7.685 -2.651 93 HA LEU 14 HA LEU 14 56.749 5.444 -3.486 94 1HB LEU 14 HB2 LEU 14 58.149 5.784 -0.826 95 2HB LEU 14 HB1 LEU 14 57.560 4.290 -1.558 96 HG LEU 14 HG LEU 14 59.701 6.003 -2.836 97 1HD1 LEU 14 HD11 LEU 14 59.900 3.766 -0.823 98 2HD1 LEU 14 HD13 LEU 14 61.204 4.082 -1.967 99 3HD1 LEU 14 HD12 LEU 14 60.722 5.326 -0.816 100 1HD2 LEU 14 HD22 LEU 14 58.479 3.299 -3.314 101 2HD2 LEU 14 HD21 LEU 14 58.847 4.572 -4.476 102 3HD2 LEU 14 HD23 LEU 14 60.149 3.593 -3.801 103 H SER 15 HN SER 15 54.745 5.045 -2.546 104 HA SER 15 HA SER 15 53.616 7.287 -0.952 105 1HB SER 15 HB2 SER 15 52.597 5.535 -3.001 106 2HB SER 15 HB1 SER 15 51.620 5.361 -1.545 107 HG SER 15 HG SER 15 50.743 7.109 -2.411 108 H GLU 16 HN GLU 16 52.196 6.690 0.907 109 HA GLU 16 HA GLU 16 53.467 5.142 2.851 110 1HB GLU 16 HB2 GLU 16 51.233 5.027 3.984 111 2HB GLU 16 HB1 GLU 16 51.650 6.650 3.434 112 1HG GLU 16 HG2 GLU 16 50.199 6.494 1.549 113 2HG GLU 16 HG1 GLU 16 50.009 4.752 1.748 114 H GLU 17 HN GLU 17 51.191 4.093 0.363 115 HA GLU 17 HA GLU 17 50.804 1.433 1.408 116 1HB GLU 17 HB2 GLU 17 50.021 2.949 -0.940 117 2HB GLU 17 HB1 GLU 17 50.511 1.314 -1.385 118 1HG GLU 17 HG2 GLU 17 48.165 1.220 -0.871 119 2HG GLU 17 HG1 GLU 17 49.015 0.469 0.479 120 H MET 18 HN MET 18 53.100 2.831 -0.919 121 HA MET 18 HA MET 18 54.298 0.311 -1.645 122 1HB MET 18 HB2 MET 18 54.483 2.455 -2.962 123 2HB MET 18 HB1 MET 18 55.593 3.048 -1.726 124 1HG MET 18 HG2 MET 18 57.286 1.954 -2.723 125 2HG MET 18 HG1 MET 18 56.442 0.427 -2.469 126 1HE MET 18 HE2 MET 18 54.844 -0.638 -3.926 127 2HE MET 18 HE1 MET 18 55.153 -0.694 -5.659 128 3HE MET 18 HE3 MET 18 56.450 -1.061 -4.513 129 H ILE 19 HN ILE 19 54.828 2.585 0.980 130 HA ILE 19 HA ILE 19 57.339 1.288 1.787 131 HB ILE 19 HB ILE 19 55.646 3.493 2.981 132 1HG1 ILE 19 HG12 ILE 19 58.444 4.042 2.450 133 2HG1 ILE 19 HG11 ILE 19 57.651 3.411 1.005 134 1HG2 ILE 19 HG23 ILE 19 58.048 2.043 4.092 135 2HG2 ILE 19 HG22 ILE 19 57.714 3.719 4.527 136 3HG2 ILE 19 HG21 ILE 19 56.541 2.459 4.908 137 1HD1 ILE 19 HD11 ILE 19 55.796 5.201 2.097 138 2HD1 ILE 19 HD13 ILE 19 57.352 6.010 2.276 139 3HD1 ILE 19 HD12 ILE 19 56.814 5.480 0.684 140 H ALA 20 HN ALA 20 53.948 0.970 2.452 141 HA ALA 20 HA ALA 20 54.166 -0.257 5.048 142 1HB ALA 20 HB3 ALA 20 52.081 0.210 3.058 143 2HB ALA 20 HB2 ALA 20 51.911 -1.363 3.836 144 3HB ALA 20 HB1 ALA 20 51.947 0.104 4.813 145 H GLU 21 HN GLU 21 54.366 -1.493 1.746 146 HA GLU 21 HA GLU 21 54.367 -4.288 2.588 147 1HB GLU 21 HB2 GLU 21 54.614 -2.791 0.039 148 2HB GLU 21 HB1 GLU 21 55.451 -4.343 0.094 149 1HG GLU 21 HG2 GLU 21 53.021 -4.931 1.273 150 2HG GLU 21 HG1 GLU 21 52.571 -3.777 0.016 151 H PHE 22 HN PHE 22 56.854 -1.989 1.446 152 HA PHE 22 HA PHE 22 59.074 -3.740 1.601 153 1HB PHE 22 HB2 PHE 22 58.910 -0.750 2.072 154 2HB PHE 22 HB1 PHE 22 60.422 -1.639 1.915 155 HD1 PHE 22 HD1 PHE 22 58.313 -3.440 -0.108 156 HD2 PHE 22 HD2 PHE 22 60.219 0.409 0.022 157 HE1 PHE 22 HE1 PHE 22 58.152 -3.274 -2.577 158 HE2 PHE 22 HE2 PHE 22 60.056 0.573 -2.446 159 HZ PHE 22 HZ PHE 22 59.022 -1.269 -3.746 160 H LYS 23 HN LYS 23 57.504 -1.805 4.128 161 HA LYS 23 HA LYS 23 59.433 -2.137 6.174 162 1HB LYS 23 HB2 LYS 23 57.568 -0.631 6.498 163 2HB LYS 23 HB1 LYS 23 56.413 -1.956 6.346 164 1HG LYS 23 HG2 LYS 23 56.814 -1.330 8.722 165 2HG LYS 23 HG1 LYS 23 57.291 -2.994 8.382 166 1HD LYS 23 HD2 LYS 23 59.545 -2.538 8.575 167 2HD LYS 23 HD1 LYS 23 59.358 -0.867 8.043 168 1HE LYS 23 HE2 LYS 23 59.914 -1.147 10.502 169 2HE LYS 23 HE1 LYS 23 58.462 -0.201 10.171 170 1HZ LYS 23 HZ3 LYS 23 58.503 -3.095 10.839 171 2HZ LYS 23 HZ2 LYS 23 58.107 -1.846 11.922 172 3HZ LYS 23 HZ1 LYS 23 57.119 -2.151 10.573 173 H ALA 24 HN ALA 24 57.016 -4.371 4.935 174 HA ALA 24 HA ALA 24 57.197 -6.254 7.117 175 1HB ALA 24 HB3 ALA 24 55.788 -6.036 4.622 176 2HB ALA 24 HB2 ALA 24 56.538 -7.629 4.721 177 3HB ALA 24 HB1 ALA 24 55.439 -7.091 5.992 178 H ALA 25 HN ALA 25 58.916 -5.896 4.033 179 HA ALA 25 HA ALA 25 60.405 -8.380 4.372 180 1HB ALA 25 HB3 ALA 25 59.879 -6.876 2.207 181 2HB ALA 25 HB2 ALA 25 61.459 -6.208 2.624 182 3HB ALA 25 HB1 ALA 25 61.289 -7.932 2.295 183 H PHE 26 HN PHE 26 60.764 -5.092 5.429 184 HA PHE 26 HA PHE 26 63.571 -4.951 5.790 185 1HB PHE 26 HB2 PHE 26 61.764 -3.130 6.159 186 2HB PHE 26 HB1 PHE 26 61.615 -3.808 7.780 187 HD1 PHE 26 HD1 PHE 26 64.489 -3.108 5.462 188 HD2 PHE 26 HD2 PHE 26 62.781 -2.570 9.367 189 HE1 PHE 26 HE1 PHE 26 66.508 -1.857 6.173 190 HE2 PHE 26 HE2 PHE 26 64.802 -1.319 10.078 191 HZ PHE 26 HZ PHE 26 66.666 -0.962 8.480 192 H ASP 27 HN ASP 27 61.209 -5.642 8.395 193 HA ASP 27 HA ASP 27 63.086 -6.629 10.255 194 1HB ASP 27 HB2 ASP 27 60.354 -6.283 10.229 195 2HB ASP 27 HB1 ASP 27 60.502 -8.039 10.287 196 H MET 28 HN MET 28 61.942 -8.073 7.342 197 HA MET 28 HA MET 28 62.285 -10.836 8.028 198 1HB MET 28 HB2 MET 28 61.589 -9.355 5.719 199 2HB MET 28 HB1 MET 28 62.991 -10.333 5.276 200 1HG MET 28 HG2 MET 28 61.892 -12.337 5.671 201 2HG MET 28 HG1 MET 28 60.794 -11.621 6.851 202 1HE MET 28 HE2 MET 28 62.148 -11.291 3.472 203 2HE MET 28 HE1 MET 28 60.803 -11.311 2.335 204 3HE MET 28 HE3 MET 28 61.262 -9.806 3.142 205 H PHE 29 HN PHE 29 64.526 -8.401 6.717 206 HA PHE 29 HA PHE 29 66.726 -10.372 6.737 207 1HB PHE 29 HB2 PHE 29 67.335 -7.503 6.286 208 2HB PHE 29 HB1 PHE 29 67.863 -8.921 5.381 209 HD1 PHE 29 HD1 PHE 29 65.724 -10.240 4.273 210 HD2 PHE 29 HD2 PHE 29 65.973 -6.033 5.113 211 HE1 PHE 29 HE1 PHE 29 63.981 -9.795 2.566 212 HE2 PHE 29 HE2 PHE 29 64.230 -5.589 3.406 213 HZ PHE 29 HZ PHE 29 63.231 -7.470 2.133 214 H ASP 30 HN ASP 30 65.224 -8.749 9.104 215 HA ASP 30 HA ASP 30 67.645 -7.758 10.485 216 1HB ASP 30 HB2 ASP 30 64.768 -7.829 11.444 217 2HB ASP 30 HB1 ASP 30 66.098 -6.934 12.181 218 H ALA 31 HN ALA 31 68.848 -9.418 11.324 219 HA ALA 31 HA ALA 31 67.834 -11.955 12.128 220 1HB ALA 31 HB1 ALA 31 70.330 -10.485 13.027 221 2HB ALA 31 HB3 ALA 31 70.008 -12.192 13.331 222 3HB ALA 31 HB2 ALA 31 70.213 -11.615 11.678 223 H ASP 32 HN ASP 32 68.971 -9.297 14.251 224 HA ASP 32 HA ASP 32 67.639 -10.481 16.560 225 1HB ASP 32 HB2 ASP 32 69.584 -8.425 16.083 226 2HB ASP 32 HB1 ASP 32 68.272 -7.746 17.048 227 H GLY 33 HN GLY 33 66.866 -8.058 14.152 228 1HA GLY 33 HA2 GLY 33 64.653 -7.303 13.651 229 2HA GLY 33 HA1 GLY 33 64.108 -7.954 15.198 230 H GLY 34 HN GLY 34 66.747 -5.668 14.444 231 1HA GLY 34 HA2 GLY 34 65.602 -3.848 16.502 232 2HA GLY 34 HA1 GLY 34 67.261 -3.795 15.906 233 H GLY 35 HN GLY 35 65.858 -4.215 13.116 234 1HA GLY 35 HA2 GLY 35 64.669 -2.778 11.580 235 2HA GLY 35 HA1 GLY 35 64.791 -1.467 12.756 236 H ASP 36 HN ASP 36 67.468 -3.541 11.744 237 HA ASP 36 HA ASP 36 68.574 -1.383 10.053 238 1HB ASP 36 HB2 ASP 36 70.279 -2.494 12.278 239 2HB ASP 36 HB1 ASP 36 70.535 -1.038 11.318 240 H ILE 37 HN ILE 37 68.990 -2.561 8.234 241 HA ILE 37 HA ILE 37 70.120 -5.302 8.562 242 HB ILE 37 HB ILE 37 69.529 -5.527 6.116 243 1HG1 ILE 37 HG12 ILE 37 67.952 -2.986 6.563 244 2HG1 ILE 37 HG11 ILE 37 69.534 -2.987 5.783 245 1HG2 ILE 37 HG21 ILE 37 67.391 -4.858 8.145 246 2HG2 ILE 37 HG23 ILE 37 67.027 -5.531 6.558 247 3HG2 ILE 37 HG22 ILE 37 67.999 -6.455 7.704 248 1HD1 ILE 37 HD13 ILE 37 68.651 -4.672 4.143 249 2HD1 ILE 37 HD12 ILE 37 67.055 -4.465 4.865 250 3HD1 ILE 37 HD11 ILE 37 67.839 -3.108 4.054 251 H SER 38 HN SER 38 72.249 -5.596 8.131 252 HA SER 38 HA SER 38 73.962 -3.436 7.363 253 1HB SER 38 HB2 SER 38 74.510 -6.413 7.155 254 2HB SER 38 HB1 SER 38 75.717 -5.130 7.196 255 HG SER 38 HG SER 38 75.407 -4.896 9.286 256 H THR 39 HN THR 39 74.987 -3.039 5.322 257 HA THR 39 HA THR 39 73.356 -3.450 3.026 258 HB THR 39 HB THR 39 74.988 -2.323 1.815 259 HG1 THR 39 HG1 THR 39 76.927 -3.261 3.660 260 1HG2 THR 39 HG22 THR 39 74.477 -1.469 4.431 261 2HG2 THR 39 HG21 THR 39 76.219 -1.278 4.230 262 3HG2 THR 39 HG23 THR 39 75.109 -0.486 3.110 263 H LYS 40 HN LYS 40 75.470 -5.601 4.618 264 HA LYS 40 HA LYS 40 76.356 -7.147 2.365 265 1HB LYS 40 HB2 LYS 40 77.564 -7.861 4.166 266 2HB LYS 40 HB1 LYS 40 76.304 -7.401 5.306 267 1HG LYS 40 HG2 LYS 40 75.071 -9.436 4.850 268 2HG LYS 40 HG1 LYS 40 76.192 -9.877 3.563 269 1HD LYS 40 HD2 LYS 40 76.807 -11.139 5.533 270 2HD LYS 40 HD1 LYS 40 78.036 -9.898 5.284 271 1HE LYS 40 HE2 LYS 40 77.509 -8.826 7.212 272 2HE LYS 40 HE1 LYS 40 75.776 -8.996 6.933 273 1HZ LYS 40 HZ1 LYS 40 76.737 -11.540 7.421 274 2HZ LYS 40 HZ3 LYS 40 77.474 -10.546 8.582 275 3HZ LYS 40 HZ2 LYS 40 75.780 -10.587 8.452 276 H ALA 41 HN ALA 41 73.459 -7.191 4.397 277 HA ALA 41 HA ALA 41 72.334 -9.470 2.891 278 1HB ALA 41 HB3 ALA 41 71.567 -7.915 5.331 279 2HB ALA 41 HB2 ALA 41 70.287 -8.730 4.433 280 3HB ALA 41 HB1 ALA 41 71.632 -9.661 5.092 281 H LEU 42 HN LEU 42 72.410 -6.054 2.716 282 HA LEU 42 HA LEU 42 69.873 -5.376 1.715 283 1HB LEU 42 HB2 LEU 42 72.605 -4.286 1.485 284 2HB LEU 42 HB1 LEU 42 71.548 -3.869 0.138 285 HG LEU 42 HG LEU 42 71.299 -2.153 1.815 286 1HD1 LEU 42 HD13 LEU 42 69.202 -3.592 0.798 287 2HD1 LEU 42 HD12 LEU 42 68.863 -3.647 2.529 288 3HD1 LEU 42 HD11 LEU 42 69.035 -2.094 1.711 289 1HD2 LEU 42 HD22 LEU 42 71.451 -4.465 3.615 290 2HD2 LEU 42 HD21 LEU 42 71.855 -2.775 3.919 291 3HD2 LEU 42 HD23 LEU 42 70.182 -3.322 4.058 292 H GLY 43 HN GLY 43 72.721 -6.424 -0.192 293 1HA GLY 43 HA2 GLY 43 71.550 -6.489 -2.728 294 2HA GLY 43 HA1 GLY 43 72.798 -7.626 -2.213 295 H THR 44 HN THR 44 71.118 -8.730 -0.052 296 HA THR 44 HA THR 44 69.794 -10.794 -1.579 297 HB THR 44 HB THR 44 69.583 -10.115 1.369 298 HG1 THR 44 HG1 THR 44 71.551 -10.818 1.336 299 1HG2 THR 44 HG23 THR 44 68.455 -12.251 -0.342 300 2HG2 THR 44 HG22 THR 44 69.186 -12.793 1.170 301 3HG2 THR 44 HG21 THR 44 67.873 -11.614 1.197 302 H VAL 45 HN VAL 45 68.583 -8.170 0.519 303 HA VAL 45 HA VAL 45 65.830 -8.603 0.224 304 HB VAL 45 HB VAL 45 67.250 -5.923 0.272 305 1HG1 VAL 45 HG13 VAL 45 64.410 -6.814 0.578 306 2HG1 VAL 45 HG12 VAL 45 64.977 -5.475 1.576 307 3HG1 VAL 45 HG11 VAL 45 65.052 -5.358 -0.182 308 1HG2 VAL 45 HG23 VAL 45 66.309 -7.768 2.487 309 2HG2 VAL 45 HG22 VAL 45 67.969 -7.276 2.152 310 3HG2 VAL 45 HG21 VAL 45 66.801 -6.094 2.742 311 H MET 46 HN MET 46 67.649 -6.188 -1.685 312 HA MET 46 HA MET 46 65.741 -5.638 -3.620 313 1HB MET 46 HB2 MET 46 68.744 -5.825 -3.797 314 2HB MET 46 HB1 MET 46 67.777 -5.371 -5.201 315 1HG MET 46 HG2 MET 46 67.474 -3.989 -2.532 316 2HG MET 46 HG1 MET 46 68.634 -3.444 -3.744 317 1HE MET 46 HE3 MET 46 68.436 -2.169 -5.265 318 2HE MET 46 HE2 MET 46 67.423 -2.739 -6.590 319 3HE MET 46 HE1 MET 46 67.045 -1.214 -5.793 320 H ARG 47 HN ARG 47 67.559 -8.585 -3.234 321 HA ARG 47 HA ARG 47 67.073 -9.571 -5.924 322 1HB ARG 47 HB2 ARG 47 68.890 -10.330 -4.236 323 2HB ARG 47 HB1 ARG 47 67.611 -11.319 -3.529 324 1HG ARG 47 HG2 ARG 47 67.216 -12.391 -5.709 325 2HG ARG 47 HG1 ARG 47 68.478 -11.392 -6.434 326 1HD ARG 47 HD2 ARG 47 69.838 -13.143 -5.926 327 2HD ARG 47 HD1 ARG 47 69.812 -12.460 -4.300 328 HE ARG 47 HE ARG 47 67.779 -14.501 -5.069 329 1HH1 ARG 47 HH21 ARG 47 70.844 -14.044 -3.693 330 2HH1 ARG 47 HH22 ARG 47 70.534 -15.009 -2.288 331 1HH2 ARG 47 HH11 ARG 47 67.175 -15.469 -3.021 332 2HH2 ARG 47 HH12 ARG 47 68.455 -15.816 -1.909 333 H MET 48 HN MET 48 65.609 -10.256 -2.732 334 HA MET 48 HA MET 48 63.590 -12.006 -3.846 335 1HB MET 48 HB2 MET 48 62.563 -11.881 -1.611 336 2HB MET 48 HB1 MET 48 64.301 -12.152 -1.485 337 1HG MET 48 HG2 MET 48 64.707 -10.058 -0.630 338 2HG MET 48 HG1 MET 48 63.385 -9.320 -1.534 339 1HE MET 48 HE3 MET 48 63.316 -12.568 0.287 340 2HE MET 48 HE2 MET 48 64.176 -11.757 1.593 341 3HE MET 48 HE1 MET 48 62.514 -12.286 1.839 342 H LEU 49 HN LEU 49 63.904 -8.580 -3.670 343 HA LEU 49 HA LEU 49 61.042 -8.013 -3.677 344 1HB LEU 49 HB2 LEU 49 63.372 -6.239 -4.472 345 2HB LEU 49 HB1 LEU 49 61.721 -5.701 -4.171 346 HG LEU 49 HG LEU 49 63.729 -6.781 -2.196 347 1HD1 LEU 49 HD13 LEU 49 62.347 -4.233 -2.761 348 2HD1 LEU 49 HD12 LEU 49 62.402 -4.680 -1.056 349 3HD1 LEU 49 HD11 LEU 49 63.898 -4.522 -1.976 350 1HD2 LEU 49 HD21 LEU 49 61.603 -8.018 -1.871 351 2HD2 LEU 49 HD23 LEU 49 61.916 -6.908 -0.535 352 3HD2 LEU 49 HD22 LEU 49 60.737 -6.483 -1.776 353 H GLY 50 HN GLY 50 63.397 -7.054 -6.181 354 1HA GLY 50 HA2 GLY 50 62.194 -8.581 -8.290 355 2HA GLY 50 HA1 GLY 50 61.522 -6.949 -8.288 356 H GLN 51 HN GLN 51 63.558 -5.308 -7.761 357 HA GLN 51 HA GLN 51 65.087 -5.270 -10.173 358 1HB GLN 51 HB2 GLN 51 65.569 -3.850 -7.537 359 2HB GLN 51 HB1 GLN 51 66.395 -3.468 -9.048 360 1HG GLN 51 HG2 GLN 51 64.087 -3.135 -10.076 361 2HG GLN 51 HG1 GLN 51 63.445 -3.203 -8.434 362 1HE2 GLN 51 HE22 GLN 51 65.380 -0.168 -7.523 363 2HE2 GLN 51 HE21 GLN 51 65.248 -1.757 -6.940 364 H ASN 52 HN ASN 52 66.906 -6.387 -10.694 365 HA ASN 52 HA ASN 52 68.567 -7.469 -8.455 366 1HB ASN 52 HB2 ASN 52 67.320 -9.326 -9.399 367 2HB ASN 52 HB1 ASN 52 67.768 -8.846 -11.036 368 1HD2 ASN 52 HD22 ASN 52 70.421 -11.179 -10.716 369 2HD2 ASN 52 HD21 ASN 52 68.957 -10.814 -11.492 370 HA PRO 53 HA PRO 53 71.205 -5.011 -11.299 371 1HB PRO 53 HB2 PRO 53 72.459 -3.631 -9.280 372 2HB PRO 53 HB1 PRO 53 70.951 -3.096 -10.040 373 1HG PRO 53 HG2 PRO 53 71.365 -4.326 -7.354 374 2HG PRO 53 HG1 PRO 53 70.081 -3.236 -7.903 375 1HD PRO 53 HD2 PRO 53 69.848 -6.039 -7.586 376 2HD PRO 53 HD1 PRO 53 68.702 -4.986 -8.444 377 H THR 54 HN THR 54 73.687 -4.922 -11.243 378 HA THR 54 HA THR 54 74.713 -7.540 -10.465 379 HB THR 54 HB THR 54 75.414 -6.298 -12.549 380 HG1 THR 54 HG1 THR 54 76.683 -7.960 -11.495 381 1HG2 THR 54 HG23 THR 54 75.719 -4.168 -10.869 382 2HG2 THR 54 HG22 THR 54 77.386 -4.724 -11.018 383 3HG2 THR 54 HG21 THR 54 76.471 -4.286 -12.460 384 H LYS 55 HN LYS 55 76.320 -7.941 -8.878 385 HA LYS 55 HA LYS 55 76.144 -6.570 -6.439 386 1HB LYS 55 HB2 LYS 55 77.893 -8.595 -7.606 387 2HB LYS 55 HB1 LYS 55 78.753 -7.555 -6.470 388 1HG LYS 55 HG2 LYS 55 76.478 -7.973 -5.067 389 2HG LYS 55 HG1 LYS 55 76.550 -9.486 -5.974 390 1HD LYS 55 HD2 LYS 55 79.024 -9.588 -5.231 391 2HD LYS 55 HD1 LYS 55 78.580 -8.357 -4.048 392 1HE LYS 55 HE2 LYS 55 78.372 -10.575 -3.037 393 2HE LYS 55 HE1 LYS 55 76.772 -9.852 -3.213 394 1HZ LYS 55 HZ3 LYS 55 77.469 -11.259 -5.562 395 2HZ LYS 55 HZ2 LYS 55 77.639 -12.281 -4.216 396 3HZ LYS 55 HZ1 LYS 55 76.154 -11.511 -4.519 397 H GLU 56 HN GLU 56 77.902 -5.708 -9.298 398 HA GLU 56 HA GLU 56 79.870 -3.995 -8.085 399 1HB GLU 56 HB2 GLU 56 79.264 -4.836 -10.673 400 2HB GLU 56 HB1 GLU 56 78.943 -3.102 -10.708 401 1HG GLU 56 HG2 GLU 56 81.433 -3.942 -9.321 402 2HG GLU 56 HG1 GLU 56 81.413 -4.142 -11.073 403 H GLU 57 HN GLU 57 76.956 -3.009 -9.929 404 HA GLU 57 HA GLU 57 76.946 -0.323 -9.070 405 1HB GLU 57 HB2 GLU 57 75.295 -1.941 -10.638 406 2HB GLU 57 HB1 GLU 57 74.249 -1.396 -9.328 407 1HG GLU 57 HG2 GLU 57 74.510 0.858 -9.876 408 2HG GLU 57 HG1 GLU 57 76.039 0.581 -10.709 409 H LEU 58 HN LEU 58 75.645 -3.212 -7.500 410 HA LEU 58 HA LEU 58 74.165 -1.869 -5.447 411 1HB LEU 58 HB2 LEU 58 74.363 -4.442 -6.157 412 2HB LEU 58 HB1 LEU 58 75.537 -4.452 -4.839 413 HG LEU 58 HG LEU 58 72.903 -3.114 -4.368 414 1HD1 LEU 58 HD11 LEU 58 72.833 -5.601 -5.447 415 2HD1 LEU 58 HD13 LEU 58 73.051 -6.013 -3.746 416 3HD1 LEU 58 HD12 LEU 58 71.669 -5.038 -4.247 417 1HD2 LEU 58 HD21 LEU 58 74.845 -4.766 -2.720 418 2HD2 LEU 58 HD23 LEU 58 74.596 -3.021 -2.628 419 3HD2 LEU 58 HD22 LEU 58 73.324 -4.122 -2.098 420 H ASP 59 HN ASP 59 77.559 -2.904 -5.653 421 HA ASP 59 HA ASP 59 78.295 -2.346 -2.966 422 1HB ASP 59 HB2 ASP 59 79.832 -2.305 -5.566 423 2HB ASP 59 HB1 ASP 59 80.608 -1.914 -4.030 424 H ALA 60 HN ALA 60 78.196 -0.228 -5.828 425 HA ALA 60 HA ALA 60 79.236 2.085 -4.444 426 1HB ALA 60 HB1 ALA 60 77.859 1.581 -7.055 427 2HB ALA 60 HB3 ALA 60 77.937 3.238 -6.455 428 3HB ALA 60 HB2 ALA 60 79.423 2.333 -6.742 429 H ILE 61 HN ILE 61 75.996 0.790 -5.005 430 HA ILE 61 HA ILE 61 74.518 3.061 -4.093 431 HB ILE 61 HB ILE 61 73.904 0.098 -4.132 432 1HG1 ILE 61 HG12 ILE 61 73.062 2.490 -5.793 433 2HG1 ILE 61 HG11 ILE 61 74.006 1.097 -6.325 434 1HG2 ILE 61 HG21 ILE 61 72.122 2.417 -3.331 435 2HG2 ILE 61 HG23 ILE 61 71.541 0.791 -3.690 436 3HG2 ILE 61 HG22 ILE 61 72.609 1.062 -2.313 437 1HD1 ILE 61 HD13 ILE 61 71.904 -0.268 -5.512 438 2HD1 ILE 61 HD12 ILE 61 71.072 1.275 -5.720 439 3HD1 ILE 61 HD11 ILE 61 71.883 0.519 -7.091 440 H ILE 62 HN ILE 62 76.009 0.345 -2.392 441 HA ILE 62 HA ILE 62 74.872 0.687 0.170 442 HB ILE 62 HB ILE 62 77.684 -0.132 -0.616 443 1HG1 ILE 62 HG12 ILE 62 75.171 -1.688 0.068 444 2HG1 ILE 62 HG11 ILE 62 75.956 -1.604 -1.510 445 1HG2 ILE 62 HG22 ILE 62 76.437 0.322 1.992 446 2HG2 ILE 62 HG21 ILE 62 77.058 -1.318 1.810 447 3HG2 ILE 62 HG23 ILE 62 78.135 0.061 1.591 448 1HD1 ILE 62 HD13 ILE 62 77.906 -2.381 0.446 449 2HD1 ILE 62 HD12 ILE 62 76.497 -3.426 0.608 450 3HD1 ILE 62 HD11 ILE 62 77.323 -3.296 -0.944 451 H GLU 63 HN GLU 63 77.799 2.236 -1.192 452 HA GLU 63 HA GLU 63 78.304 3.851 1.135 453 1HB GLU 63 HB2 GLU 63 79.444 3.486 -1.493 454 2HB GLU 63 HB1 GLU 63 79.310 5.207 -1.132 455 1HG GLU 63 HG2 GLU 63 80.287 4.505 1.207 456 2HG GLU 63 HG1 GLU 63 80.852 3.083 0.328 457 H GLU 64 HN GLU 64 76.255 4.267 -1.691 458 HA GLU 64 HA GLU 64 75.793 7.108 -1.212 459 1HB GLU 64 HB2 GLU 64 74.849 5.053 -3.127 460 2HB GLU 64 HB1 GLU 64 73.704 6.351 -2.780 461 1HG GLU 64 HG2 GLU 64 75.229 8.030 -3.495 462 2HG GLU 64 HG1 GLU 64 76.592 6.910 -3.476 463 H VAL 65 HN VAL 65 74.529 4.166 0.062 464 HA VAL 65 HA VAL 65 72.037 5.479 0.988 465 HB VAL 65 HB VAL 65 73.019 2.646 1.447 466 1HG1 VAL 65 HG11 VAL 65 70.796 4.189 2.462 467 2HG1 VAL 65 HG13 VAL 65 70.202 2.849 1.481 468 3HG1 VAL 65 HG12 VAL 65 71.264 2.535 2.853 469 1HG2 VAL 65 HG22 VAL 65 71.894 3.963 -0.888 470 2HG2 VAL 65 HG21 VAL 65 72.516 2.320 -0.730 471 3HG2 VAL 65 HG23 VAL 65 70.837 2.670 -0.319 472 H ASP 66 HN ASP 66 75.145 4.366 2.176 473 HA ASP 66 HA ASP 66 74.373 4.828 4.986 474 1HB ASP 66 HB2 ASP 66 76.444 3.379 3.611 475 2HB ASP 66 HB1 ASP 66 77.187 4.515 4.738 476 H GLU 67 HN GLU 67 73.860 7.166 4.431 477 HA GLU 67 HA GLU 67 75.922 9.002 3.674 478 1HB GLU 67 HB2 GLU 67 74.416 10.735 4.639 479 2HB GLU 67 HB1 GLU 67 73.554 9.623 3.575 480 1HG GLU 67 HG2 GLU 67 72.553 8.481 5.380 481 2HG GLU 67 HG1 GLU 67 73.716 9.118 6.543 482 H ASP 68 HN ASP 68 75.044 7.550 6.745 483 HA ASP 68 HA ASP 68 76.859 9.364 8.219 484 1HB ASP 68 HB2 ASP 68 76.125 7.945 10.195 485 2HB ASP 68 HB1 ASP 68 74.827 8.824 9.385 486 H GLY 69 HN GLY 69 76.895 6.274 6.690 487 1HA GLY 69 HA2 GLY 69 78.641 4.724 6.444 488 2HA GLY 69 HA1 GLY 69 79.710 5.928 7.163 489 H SER 70 HN SER 70 76.812 4.524 8.649 490 HA SER 70 HA SER 70 78.331 3.895 11.061 491 1HB SER 70 HB2 SER 70 75.983 2.725 11.555 492 2HB SER 70 HB1 SER 70 76.174 4.475 11.646 493 HG SER 70 HG SER 70 74.755 4.571 10.112 494 H GLY 71 HN GLY 71 77.728 2.291 8.128 495 1HA GLY 71 HA2 GLY 71 78.719 0.180 7.546 496 2HA GLY 71 HA1 GLY 71 78.842 -0.206 9.262 497 H THR 72 HN THR 72 75.812 1.092 8.491 498 HA THR 72 HA THR 72 74.587 -1.484 7.749 499 HB THR 72 HB THR 72 72.988 -0.782 9.890 500 HG1 THR 72 HG1 THR 72 74.374 -0.383 11.582 501 1HG2 THR 72 HG22 THR 72 75.202 -2.781 9.503 502 2HG2 THR 72 HG21 THR 72 74.324 -2.708 11.031 503 3HG2 THR 72 HG23 THR 72 73.459 -3.051 9.533 504 H ILE 73 HN ILE 73 72.136 -1.161 7.523 505 HA ILE 73 HA ILE 73 71.582 1.667 6.710 506 HB ILE 73 HB ILE 73 70.390 -0.818 5.455 507 1HG1 ILE 73 HG12 ILE 73 72.926 -0.576 5.193 508 2HG1 ILE 73 HG11 ILE 73 71.998 -0.646 3.695 509 1HG2 ILE 73 HG22 ILE 73 69.120 1.314 5.247 510 2HG2 ILE 73 HG21 ILE 73 70.541 2.060 4.514 511 3HG2 ILE 73 HG23 ILE 73 69.717 0.736 3.692 512 1HD1 ILE 73 HD12 ILE 73 72.161 2.086 4.613 513 2HD1 ILE 73 HD11 ILE 73 73.780 1.394 4.508 514 3HD1 ILE 73 HD13 ILE 73 72.728 1.396 3.091 515 H ASP 74 HN ASP 74 69.746 2.562 7.563 516 HA ASP 74 HA ASP 74 68.123 0.859 9.375 517 1HB ASP 74 HB2 ASP 74 67.998 3.864 8.993 518 2HB ASP 74 HB1 ASP 74 67.321 2.931 10.327 519 H PHE 75 HN PHE 75 65.732 1.073 9.269 520 HA PHE 75 HA PHE 75 64.569 0.444 6.862 521 1HB PHE 75 HB2 PHE 75 63.458 0.540 9.155 522 2HB PHE 75 HB1 PHE 75 63.182 2.255 8.848 523 HD1 PHE 75 HD2 PHE 75 63.081 -0.678 6.541 524 HD2 PHE 75 HD1 PHE 75 60.891 2.506 8.407 525 HE1 PHE 75 HE2 PHE 75 61.089 -1.244 5.169 526 HE2 PHE 75 HE1 PHE 75 58.900 1.944 7.037 527 HZ PHE 75 HZ PHE 75 58.998 0.068 5.418 528 H GLU 76 HN GLU 76 65.162 3.740 8.066 529 HA GLU 76 HA GLU 76 63.823 5.093 5.921 530 1HB GLU 76 HB2 GLU 76 65.706 5.806 8.082 531 2HB GLU 76 HB1 GLU 76 65.790 6.845 6.658 532 1HG GLU 76 HG2 GLU 76 63.670 7.669 6.965 533 2HG GLU 76 HG1 GLU 76 63.070 6.158 7.650 534 H GLU 77 HN GLU 77 67.276 4.274 6.381 535 HA GLU 77 HA GLU 77 68.109 5.341 3.847 536 1HB GLU 77 HB2 GLU 77 69.382 3.193 5.568 537 2HB GLU 77 HB1 GLU 77 70.176 4.035 4.237 538 1HG GLU 77 HG2 GLU 77 69.803 6.195 5.409 539 2HG GLU 77 HG1 GLU 77 69.087 5.315 6.761 540 H PHE 78 HN PHE 78 66.487 2.411 4.701 541 HA PHE 78 HA PHE 78 67.382 0.795 2.494 542 1HB PHE 78 HB2 PHE 78 66.372 -0.553 4.062 543 2HB PHE 78 HB1 PHE 78 65.222 0.690 4.542 544 HD1 PHE 78 HD2 PHE 78 63.306 1.240 2.947 545 HD2 PHE 78 HD1 PHE 78 65.744 -2.272 2.562 546 HE1 PHE 78 HE2 PHE 78 61.561 0.186 1.532 547 HE2 PHE 78 HE1 PHE 78 64.001 -3.331 1.150 548 HZ PHE 78 HZ PHE 78 61.909 -2.100 0.634 549 H LEU 79 HN LEU 79 64.526 2.877 2.988 550 HA LEU 79 HA LEU 79 63.250 2.449 0.517 551 1HB LEU 79 HB2 LEU 79 63.477 5.068 2.032 552 2HB LEU 79 HB1 LEU 79 62.249 4.672 0.829 553 HG LEU 79 HG LEU 79 62.686 3.062 3.357 554 1HD1 LEU 79 HD12 LEU 79 60.765 5.328 2.761 555 2HD1 LEU 79 HD11 LEU 79 60.546 4.198 4.098 556 3HD1 LEU 79 HD13 LEU 79 61.961 5.250 4.055 557 1HD2 LEU 79 HD23 LEU 79 61.411 2.366 1.043 558 2HD2 LEU 79 HD22 LEU 79 60.964 1.750 2.636 559 3HD2 LEU 79 HD21 LEU 79 60.088 3.114 1.939 560 H VAL 80 HN VAL 80 65.952 4.618 1.302 561 HA VAL 80 HA VAL 80 66.099 5.946 -1.214 562 HB VAL 80 HB VAL 80 68.235 5.245 0.817 563 1HG1 VAL 80 HG13 VAL 80 68.405 6.538 -1.864 564 2HG1 VAL 80 HG12 VAL 80 69.333 7.272 -0.557 565 3HG1 VAL 80 HG11 VAL 80 69.610 5.587 -0.996 566 1HG2 VAL 80 HG23 VAL 80 66.202 7.004 1.053 567 2HG2 VAL 80 HG22 VAL 80 67.796 7.302 1.747 568 3HG2 VAL 80 HG21 VAL 80 67.360 8.025 0.200 569 H MET 81 HN MET 81 67.735 2.993 -0.053 570 HA MET 81 HA MET 81 69.207 2.401 -2.384 571 1HB MET 81 HB2 MET 81 69.173 1.202 -0.083 572 2HB MET 81 HB1 MET 81 67.846 0.256 -0.758 573 1HG MET 81 HG2 MET 81 69.224 -0.573 -2.535 574 2HG MET 81 HG1 MET 81 70.508 0.575 -2.158 575 1HE MET 81 HE1 MET 81 71.765 0.719 -0.115 576 2HE MET 81 HE3 MET 81 70.533 0.444 1.124 577 3HE MET 81 HE2 MET 81 72.003 -0.530 1.104 578 H MET 82 HN MET 82 65.786 2.037 -1.721 579 HA MET 82 HA MET 82 65.230 0.257 -3.936 580 1HB MET 82 HB2 MET 82 63.235 2.192 -2.761 581 2HB MET 82 HB1 MET 82 62.949 0.580 -3.416 582 1HG MET 82 HG2 MET 82 64.334 1.289 -0.819 583 2HG MET 82 HG1 MET 82 62.834 0.385 -1.024 584 1HE MET 82 HE3 MET 82 63.041 -1.290 -3.210 585 2HE MET 82 HE2 MET 82 63.970 -2.760 -2.929 586 3HE MET 82 HE1 MET 82 62.751 -2.261 -1.761 587 H VAL 83 HN VAL 83 64.232 3.680 -3.549 588 HA VAL 83 HA VAL 83 63.652 4.132 -6.270 589 HB VAL 83 HB VAL 83 64.878 6.255 -4.509 590 1HG1 VAL 83 HG13 VAL 83 63.534 6.181 -7.027 591 2HG1 VAL 83 HG12 VAL 83 62.473 6.991 -5.876 592 3HG1 VAL 83 HG11 VAL 83 64.109 7.595 -6.144 593 1HG2 VAL 83 HG23 VAL 83 62.501 4.613 -4.014 594 2HG2 VAL 83 HG22 VAL 83 63.336 5.730 -2.934 595 3HG2 VAL 83 HG21 VAL 83 62.137 6.338 -4.075 596 H ARG 84 HN ARG 84 66.710 3.728 -4.731 597 HA ARG 84 HA ARG 84 68.470 5.235 -6.279 598 1HB ARG 84 HB2 ARG 84 68.744 3.196 -4.458 599 2HB ARG 84 HB1 ARG 84 69.326 2.437 -5.941 600 1HG ARG 84 HG2 ARG 84 71.289 3.452 -5.358 601 2HG ARG 84 HG1 ARG 84 70.546 4.847 -6.140 602 1HD ARG 84 HD2 ARG 84 69.787 4.461 -3.312 603 2HD ARG 84 HD1 ARG 84 71.482 4.865 -3.577 604 HE ARG 84 HE ARG 84 69.393 6.547 -4.866 605 1HH1 ARG 84 HH11 ARG 84 71.234 6.138 -2.044 606 2HH1 ARG 84 HH12 ARG 84 71.771 7.783 -1.966 607 1HH2 ARG 84 HH21 ARG 84 70.387 8.656 -5.022 608 2HH2 ARG 84 HH22 ARG 84 71.291 9.209 -3.654 609 H GLN 85 HN GLN 85 66.945 2.128 -7.140 610 HA GLN 85 HA GLN 85 67.802 2.652 -9.959 611 1HB GLN 85 HB2 GLN 85 67.926 0.182 -8.301 612 2HB GLN 85 HB1 GLN 85 67.464 -0.016 -9.992 613 1HG GLN 85 HG2 GLN 85 69.589 1.766 -10.116 614 2HG GLN 85 HG1 GLN 85 70.075 0.642 -8.846 615 1HE2 GLN 85 HE22 GLN 85 70.624 -0.574 -12.535 616 2HE2 GLN 85 HE21 GLN 85 70.646 1.032 -11.984 617 H MET 86 HN MET 86 65.200 2.445 -7.877 618 HA MET 86 HA MET 86 63.307 1.079 -9.603 619 1HB MET 86 HB2 MET 86 63.304 2.231 -6.977 620 2HB MET 86 HB1 MET 86 61.951 2.906 -7.887 621 1HG MET 86 HG2 MET 86 61.877 0.233 -8.587 622 2HG MET 86 HG1 MET 86 62.351 0.176 -6.889 623 1HE MET 86 HE1 MET 86 61.360 2.436 -5.538 624 2HE MET 86 HE3 MET 86 59.662 2.222 -5.091 625 3HE MET 86 HE2 MET 86 60.809 0.904 -4.866 626 H LYS 87 HN LYS 87 64.026 4.511 -8.925 627 HA LYS 87 HA LYS 87 62.057 5.731 -10.488 628 1HB LYS 87 HB2 LYS 87 64.445 6.540 -9.249 629 2HB LYS 87 HB1 LYS 87 64.620 7.013 -10.939 630 1HG LYS 87 HG2 LYS 87 61.985 7.685 -10.334 631 2HG LYS 87 HG1 LYS 87 62.880 8.133 -8.880 632 1HD LYS 87 HD2 LYS 87 63.921 8.886 -11.604 633 2HD LYS 87 HD1 LYS 87 62.699 9.876 -10.808 634 1HE LYS 87 HE2 LYS 87 64.397 10.884 -9.715 635 2HE LYS 87 HE1 LYS 87 64.573 9.385 -8.803 636 1HZ LYS 87 HZ2 LYS 87 65.881 9.879 -11.418 637 2HZ LYS 87 HZ1 LYS 87 66.634 10.169 -9.923 638 3HZ LYS 87 HZ3 LYS 87 66.171 8.594 -10.345 639 H GLU 88 HN GLU 88 64.975 4.058 -11.538 640 HA GLU 88 HA GLU 88 65.689 3.433 -13.685 641 1HB GLU 88 HB2 GLU 88 63.044 2.825 -13.548 642 2HB GLU 88 HB1 GLU 88 63.036 3.955 -14.902 643 1HG GLU 88 HG2 GLU 88 64.141 2.515 -16.268 644 2HG GLU 88 HG1 GLU 88 65.232 1.993 -14.984 645 H ASP 89 HN ASP 89 65.971 4.321 -15.940 646 HA ASP 89 HA ASP 89 65.720 7.301 -15.889 647 1HB ASP 89 HB2 ASP 89 67.870 5.448 -16.760 648 2HB ASP 89 HB1 ASP 89 67.590 6.846 -17.799 649 H ALA 90 HN ALA 90 63.895 5.031 -16.968 650 HA ALA 90 HA ALA 90 63.196 6.454 -19.437 651 1HB ALA 90 HB1 ALA 90 64.670 3.927 -19.466 652 2HB ALA 90 HB3 ALA 90 63.145 3.829 -20.347 653 3HB ALA 90 HB2 ALA 90 64.342 5.047 -20.787 No H/Q in entry = 653
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