NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
28422 | 2yuo | 10194 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 8.676 -18.754 -5.401 2 HA2 GLY 1 1HA GLY 1 10.732 -20.877 -5.333 3 HA3 GLY 1 2HA GLY 1 11.074 -19.259 -5.929 4 H SER 2 H SER 2 11.695 -17.717 -4.524 5 HA SER 2 HA SER 2 12.468 -18.466 -1.907 6 HB2 SER 2 1HB SER 2 13.193 -16.164 -1.648 7 HB3 SER 2 2HB SER 2 13.616 -16.720 -3.267 8 HG SER 2 HG SER 2 12.572 -14.578 -3.064 9 H SER 3 H SER 3 11.848 -17.127 0.049 10 HA SER 3 HA SER 3 9.176 -16.058 0.109 11 HB2 SER 3 1HB SER 3 9.794 -18.702 1.437 12 HB3 SER 3 2HB SER 3 8.403 -17.705 1.862 13 HG SER 3 HG SER 3 8.409 -19.484 0.039 14 H GLY 4 H GLY 4 8.614 -15.164 2.208 15 HA2 GLY 4 1HA GLY 4 10.377 -15.175 4.413 16 HA3 GLY 4 2HA GLY 4 10.721 -13.774 3.409 17 H SER 5 H SER 5 9.909 -12.064 4.435 18 HA SER 5 HA SER 5 7.369 -12.283 5.848 19 HB2 SER 5 1HB SER 5 9.005 -11.128 7.112 20 HB3 SER 5 2HB SER 5 9.503 -10.154 5.728 21 HG SER 5 HG SER 5 6.872 -10.001 6.721 22 H SER 6 H SER 6 5.500 -11.358 5.213 23 HA SER 6 HA SER 6 5.544 -9.813 2.703 24 HB2 SER 6 1HB SER 6 4.487 -12.209 2.771 25 HB3 SER 6 2HB SER 6 3.140 -11.390 3.563 26 HG SER 6 HG SER 6 2.643 -10.418 1.743 27 H GLY 7 H GLY 7 4.617 -7.856 2.715 28 HA2 GLY 7 1HA GLY 7 3.217 -7.048 5.180 29 HA3 GLY 7 2HA GLY 7 4.077 -5.958 4.101 30 H ARG 8 H ARG 8 2.310 -4.584 3.857 31 HA ARG 8 HA ARG 8 0.004 -5.728 2.428 32 HB2 ARG 8 1HB ARG 8 0.274 -3.494 4.384 33 HB3 ARG 8 2HB ARG 8 -0.963 -3.362 3.141 34 HG2 ARG 8 1HG ARG 8 -2.147 -5.186 3.944 35 HG3 ARG 8 2HG ARG 8 -0.754 -5.828 4.818 36 HD2 ARG 8 1HD ARG 8 -1.806 -3.156 5.593 37 HD3 ARG 8 2HD ARG 8 -2.724 -4.584 6.065 38 HE ARG 8 HE ARG 8 -0.009 -4.928 6.741 39 HH11 ARG 8 1HH1 ARG 8 -2.837 -3.136 7.693 40 HH12 ARG 8 2HH1 ARG 8 -2.345 -2.987 9.348 41 HH21 ARG 8 1HH2 ARG 8 0.650 -4.738 8.915 42 HH22 ARG 8 2HH2 ARG 8 -0.361 -3.897 10.041 43 H ARG 9 H ARG 9 -1.073 -4.080 0.931 44 HA ARG 9 HA ARG 9 0.779 -2.226 -0.329 45 HB2 ARG 9 1HB ARG 9 -0.489 -4.477 -1.900 46 HB3 ARG 9 2HB ARG 9 0.533 -3.201 -2.546 47 HG2 ARG 9 1HG ARG 9 2.277 -4.127 -0.840 48 HG3 ARG 9 2HG ARG 9 1.274 -5.577 -0.910 49 HD2 ARG 9 1HD ARG 9 2.088 -4.295 -3.467 50 HD3 ARG 9 2HD ARG 9 3.302 -5.204 -2.566 51 HE ARG 9 HE ARG 9 1.226 -6.919 -2.661 52 HH11 ARG 9 1HH1 ARG 9 2.875 -5.061 -5.100 53 HH12 ARG 9 2HH1 ARG 9 2.581 -6.212 -6.360 54 HH21 ARG 9 1HH2 ARG 9 0.831 -8.441 -4.312 55 HH22 ARG 9 2HH2 ARG 9 1.417 -8.134 -5.912 56 H ALA 10 H ALA 10 -0.261 -0.449 -0.962 57 HA ALA 10 HA ALA 10 -3.193 -0.581 -1.220 58 HB1 ALA 10 3HB ALA 10 -3.149 0.974 0.380 59 HB2 ALA 10 1HB ALA 10 -1.422 1.265 0.169 60 HB3 ALA 10 2HB ALA 10 -2.588 2.080 -0.874 61 H LYS 11 H LYS 11 -4.172 0.222 -3.012 62 HA LYS 11 HA LYS 11 -2.440 0.878 -5.264 63 HB2 LYS 11 1HB LYS 11 -4.145 -0.814 -5.637 64 HB3 LYS 11 2HB LYS 11 -5.404 0.298 -5.115 65 HG2 LYS 11 1HG LYS 11 -4.437 1.767 -7.083 66 HG3 LYS 11 2HG LYS 11 -3.904 0.191 -7.674 67 HD2 LYS 11 1HD LYS 11 -5.980 0.285 -8.632 68 HD3 LYS 11 2HD LYS 11 -6.395 -0.474 -7.095 69 HE2 LYS 11 1HE LYS 11 -7.967 1.289 -7.541 70 HE3 LYS 11 2HE LYS 11 -6.941 1.769 -6.189 71 HZ1 LYS 11 3HZ LYS 11 -7.409 3.194 -8.495 72 HZ2 LYS 11 1HZ LYS 11 -5.829 2.613 -8.663 73 HZ3 LYS 11 2HZ LYS 11 -6.252 3.536 -7.311 74 H ALA 12 H ALA 12 -2.220 2.859 -6.094 75 HA ALA 12 HA ALA 12 -3.362 5.108 -4.756 76 HB1 ALA 12 3HB ALA 12 -1.432 5.901 -5.545 77 HB2 ALA 12 1HB ALA 12 -1.317 4.634 -6.767 78 HB3 ALA 12 2HB ALA 12 -2.265 6.086 -7.087 79 H LEU 13 H LEU 13 -5.125 6.264 -5.239 80 HA LEU 13 HA LEU 13 -6.799 5.370 -7.440 81 HB2 LEU 13 1HB LEU 13 -7.358 7.444 -5.327 82 HB3 LEU 13 2HB LEU 13 -8.530 6.736 -6.437 83 HG LEU 13 HG LEU 13 -7.038 5.076 -4.423 84 HD11 LEU 13 1HD1 LEU 13 -8.112 6.226 -2.834 85 HD12 LEU 13 2HD1 LEU 13 -9.547 5.370 -3.395 86 HD13 LEU 13 3HD1 LEU 13 -9.202 6.995 -3.987 87 HD21 LEU 13 3HD2 LEU 13 -8.719 3.469 -4.812 88 HD22 LEU 13 1HD2 LEU 13 -8.239 4.052 -6.405 89 HD23 LEU 13 2HD2 LEU 13 -9.737 4.625 -5.671 90 H LEU 14 H LEU 14 -4.685 7.969 -6.660 91 HA LEU 14 HA LEU 14 -5.092 9.125 -9.282 92 HB2 LEU 14 1HB LEU 14 -5.408 11.404 -8.416 93 HB3 LEU 14 2HB LEU 14 -6.751 10.331 -8.031 94 HG LEU 14 HG LEU 14 -5.445 10.075 -5.753 95 HD11 LEU 14 1HD1 LEU 14 -3.578 11.333 -5.808 96 HD12 LEU 14 2HD1 LEU 14 -4.694 12.629 -5.379 97 HD13 LEU 14 3HD1 LEU 14 -4.206 12.406 -7.058 98 HD21 LEU 14 3HD2 LEU 14 -6.901 12.656 -6.139 99 HD22 LEU 14 1HD2 LEU 14 -6.998 11.499 -4.810 100 HD23 LEU 14 2HD2 LEU 14 -7.746 11.124 -6.363 101 H ASP 15 H ASP 15 -3.563 11.137 -9.475 102 HA ASP 15 HA ASP 15 -0.937 10.199 -8.732 103 HB2 ASP 15 1HB ASP 15 -0.815 11.049 -10.857 104 HB3 ASP 15 2HB ASP 15 -2.035 12.282 -10.549 105 H PHE 16 H PHE 16 0.315 10.927 -7.128 106 HA PHE 16 HA PHE 16 -0.472 13.408 -5.757 107 HB2 PHE 16 1HB PHE 16 -1.181 11.381 -4.477 108 HB3 PHE 16 2HB PHE 16 0.511 10.902 -4.379 109 HD1 PHE 16 1HD PHE 16 -1.689 13.813 -3.615 110 HD2 PHE 16 2HD PHE 16 1.720 11.512 -2.523 111 HE1 PHE 16 1HE PHE 16 -1.427 15.172 -1.581 112 HE2 PHE 16 2HE PHE 16 1.986 12.865 -0.487 113 HZ PHE 16 HZ PHE 16 0.411 14.698 -0.012 114 H GLU 17 H GLU 17 1.110 14.812 -6.152 115 HA GLU 17 HA GLU 17 3.854 13.900 -6.455 116 HB2 GLU 17 1HB GLU 17 2.361 16.404 -7.051 117 HB3 GLU 17 2HB GLU 17 4.086 16.545 -6.736 118 HG2 GLU 17 1HG GLU 17 3.157 14.497 -8.679 119 HG3 GLU 17 2HG GLU 17 3.162 16.191 -9.165 120 H ARG 18 H ARG 18 4.774 13.438 -4.536 121 HA ARG 18 HA ARG 18 4.259 14.515 -2.062 122 HB2 ARG 18 1HB ARG 18 6.204 13.486 -1.315 123 HB3 ARG 18 2HB ARG 18 5.826 12.569 -2.767 124 HG2 ARG 18 1HG ARG 18 7.404 14.333 -3.904 125 HG3 ARG 18 2HG ARG 18 8.026 14.503 -2.261 126 HD2 ARG 18 1HD ARG 18 8.743 12.289 -2.173 127 HD3 ARG 18 2HD ARG 18 7.693 11.798 -3.503 128 HE ARG 18 HE ARG 18 9.333 12.414 -4.974 129 HH11 ARG 18 1HH1 ARG 18 10.012 13.817 -1.860 130 HH12 ARG 18 2HH1 ARG 18 11.578 14.400 -2.319 131 HH21 ARG 18 1HH2 ARG 18 11.393 13.178 -5.590 132 HH22 ARG 18 2HH2 ARG 18 12.361 14.037 -4.441 133 H HIS 19 H HIS 19 4.591 16.414 -1.104 134 HA HIS 19 HA HIS 19 5.898 18.533 -2.570 135 HB2 HIS 19 1HB HIS 19 3.794 18.971 -1.382 136 HB3 HIS 19 2HB HIS 19 4.564 18.557 0.147 137 HD1 HIS 19 1HD HIS 19 3.615 21.402 -1.710 138 HD2 HIS 19 2HD HIS 19 6.986 20.396 0.502 139 HE1 HIS 19 1HE HIS 19 4.730 23.586 -1.152 140 HE2 HIS 19 2HE HIS 19 6.811 22.949 0.113 141 H ASP 20 H ASP 20 6.388 16.793 0.476 142 HA ASP 20 HA ASP 20 9.046 18.041 0.695 143 HB2 ASP 20 1HB ASP 20 7.252 18.171 2.594 144 HB3 ASP 20 2HB ASP 20 7.755 16.517 2.932 145 H ASP 21 H ASP 21 10.861 16.753 1.126 146 HA ASP 21 HA ASP 21 11.129 14.410 -0.286 147 HB2 ASP 21 1HB ASP 21 13.245 14.124 0.763 148 HB3 ASP 21 2HB ASP 21 12.972 15.862 0.676 149 H ASP 22 H ASP 22 9.906 14.868 2.937 150 HA ASP 22 HA ASP 22 10.108 12.137 3.751 151 HB2 ASP 22 1HB ASP 22 8.398 14.396 4.815 152 HB3 ASP 22 2HB ASP 22 8.592 12.826 5.594 153 H GLU 23 H GLU 23 7.726 14.056 2.062 154 HA GLU 23 HA GLU 23 5.579 12.198 2.325 155 HB2 GLU 23 1HB GLU 23 6.100 14.593 0.598 156 HB3 GLU 23 2HB GLU 23 4.733 13.544 0.252 157 HG2 GLU 23 1HG GLU 23 4.062 13.884 2.681 158 HG3 GLU 23 2HG GLU 23 5.243 15.192 2.703 159 H LEU 24 H LEU 24 4.935 10.562 1.009 160 HA LEU 24 HA LEU 24 6.842 9.735 -1.062 161 HB2 LEU 24 1HB LEU 24 6.359 8.164 0.777 162 HB3 LEU 24 2HB LEU 24 4.664 8.147 0.290 163 HG LEU 24 HG LEU 24 5.448 7.231 -1.935 164 HD11 LEU 24 1HD1 LEU 24 8.005 6.967 -0.370 165 HD12 LEU 24 2HD1 LEU 24 7.756 7.811 -1.898 166 HD13 LEU 24 3HD1 LEU 24 7.650 6.052 -1.836 167 HD21 LEU 24 3HD2 LEU 24 5.149 5.098 -1.190 168 HD22 LEU 24 1HD2 LEU 24 4.603 5.977 0.238 169 HD23 LEU 24 2HD2 LEU 24 6.233 5.306 0.185 170 H GLY 25 H GLY 25 6.314 10.338 -3.056 171 HA2 GLY 25 1HA GLY 25 3.551 10.842 -3.779 172 HA3 GLY 25 2HA GLY 25 4.961 11.112 -4.790 173 H PHE 26 H PHE 26 2.851 10.066 -6.019 174 HA PHE 26 HA PHE 26 3.816 7.629 -7.054 175 HB2 PHE 26 1HB PHE 26 1.658 6.325 -6.356 176 HB3 PHE 26 2HB PHE 26 3.026 6.403 -5.250 177 HD1 PHE 26 1HD PHE 26 -0.267 7.915 -6.011 178 HD2 PHE 26 2HD PHE 26 2.795 7.328 -3.113 179 HE1 PHE 26 1HE PHE 26 -1.732 8.862 -4.277 180 HE2 PHE 26 2HE PHE 26 1.334 8.274 -1.374 181 HZ PHE 26 HZ PHE 26 -0.933 9.040 -1.954 182 H ARG 27 H ARG 27 2.548 6.843 -8.830 183 HA ARG 27 HA ARG 27 0.932 8.954 -10.021 184 HB2 ARG 27 1HB ARG 27 2.347 6.530 -11.058 185 HB3 ARG 27 2HB ARG 27 1.036 7.226 -12.002 186 HG2 ARG 27 1HG ARG 27 3.408 7.977 -12.539 187 HG3 ARG 27 2HG ARG 27 2.183 9.231 -12.337 188 HD2 ARG 27 1HD ARG 27 3.002 9.865 -10.249 189 HD3 ARG 27 2HD ARG 27 3.877 8.351 -10.029 190 HE ARG 27 HE ARG 27 4.922 9.723 -12.251 191 HH11 ARG 27 1HH1 ARG 27 4.792 9.915 -8.778 192 HH12 ARG 27 2HH1 ARG 27 6.302 10.752 -8.637 193 HH21 ARG 27 1HH2 ARG 27 6.912 10.826 -12.080 194 HH22 ARG 27 2HH2 ARG 27 7.506 11.271 -10.516 195 H LYS 28 H LYS 28 -1.050 8.360 -11.215 196 HA LYS 28 HA LYS 28 -2.919 7.105 -9.538 197 HB2 LYS 28 1HB LYS 28 -3.508 8.828 -11.200 198 HB3 LYS 28 2HB LYS 28 -3.143 7.696 -12.495 199 HG2 LYS 28 1HG LYS 28 -4.950 6.246 -11.769 200 HG3 LYS 28 2HG LYS 28 -5.298 7.333 -10.423 201 HD2 LYS 28 1HD LYS 28 -5.358 8.245 -13.288 202 HD3 LYS 28 2HD LYS 28 -6.770 7.552 -12.487 203 HE2 LYS 28 1HE LYS 28 -6.596 9.296 -10.748 204 HE3 LYS 28 2HE LYS 28 -5.241 10.007 -11.624 205 HZ1 LYS 28 3HZ LYS 28 -6.622 11.033 -13.006 206 HZ2 LYS 28 1HZ LYS 28 -7.890 10.592 -11.976 207 HZ3 LYS 28 2HZ LYS 28 -7.510 9.624 -13.310 208 H ASN 29 H ASN 29 -3.554 5.053 -9.314 209 HA ASN 29 HA ASN 29 -3.862 2.826 -9.712 210 HB2 ASN 29 1HB ASN 29 -2.741 3.180 -12.486 211 HB3 ASN 29 2HB ASN 29 -3.896 1.977 -11.917 212 HD21 ASN 29 1HD2 ASN 29 -3.809 4.275 -13.985 213 HD22 ASN 29 2HD2 ASN 29 -5.336 5.050 -13.762 214 H ASP 30 H ASP 30 -1.440 3.921 -8.628 215 HA ASP 30 HA ASP 30 0.606 2.061 -9.614 216 HB2 ASP 30 1HB ASP 30 0.744 4.588 -7.985 217 HB3 ASP 30 2HB ASP 30 2.096 3.459 -8.036 218 H ILE 31 H ILE 31 1.660 0.629 -8.235 219 HA ILE 31 HA ILE 31 0.136 -0.060 -5.833 220 HB ILE 31 HB ILE 31 2.241 -1.668 -7.283 221 HG12 ILE 31 1HG1 ILE 31 0.182 -1.313 -8.613 222 HG13 ILE 31 2HG1 ILE 31 0.389 -2.998 -8.143 223 HG21 ILE 31 1HG2 ILE 31 1.096 -1.946 -4.693 224 HG22 ILE 31 2HG2 ILE 31 0.522 -3.270 -5.707 225 HG23 ILE 31 3HG2 ILE 31 2.253 -2.997 -5.508 226 HD11 ILE 31 3HD1 ILE 31 -1.721 -2.902 -7.466 227 HD12 ILE 31 1HD1 ILE 31 -1.126 -1.962 -6.099 228 HD13 ILE 31 2HD1 ILE 31 -1.750 -1.140 -7.531 229 H ILE 32 H ILE 32 0.901 0.316 -3.862 230 HA ILE 32 HA ILE 32 3.800 0.704 -3.523 231 HB ILE 32 HB ILE 32 1.737 2.287 -2.002 232 HG12 ILE 32 1HG1 ILE 32 3.395 3.501 -4.175 233 HG13 ILE 32 2HG1 ILE 32 1.929 2.631 -4.612 234 HG21 ILE 32 1HG2 ILE 32 3.467 3.363 -1.004 235 HG22 ILE 32 2HG2 ILE 32 4.278 1.833 -1.335 236 HG23 ILE 32 3HG2 ILE 32 4.519 3.209 -2.411 237 HD11 ILE 32 3HD1 ILE 32 0.729 4.420 -4.142 238 HD12 ILE 32 1HD1 ILE 32 1.304 4.385 -2.476 239 HD13 ILE 32 2HD1 ILE 32 2.197 5.289 -3.699 240 H THR 33 H THR 33 4.671 -0.542 -2.007 241 HA THR 33 HA THR 33 3.003 -2.248 -0.400 242 HB THR 33 HB THR 33 6.012 -1.951 -0.480 243 HG1 THR 33 1HG THR 33 5.926 -3.410 -2.030 244 HG21 THR 33 3HG2 THR 33 4.294 -3.340 1.371 245 HG22 THR 33 1HG2 THR 33 6.049 -3.172 1.388 246 HG23 THR 33 2HG2 THR 33 5.297 -4.485 0.481 247 H ILE 34 H ILE 34 2.242 -1.774 1.545 248 HA ILE 34 HA ILE 34 3.097 0.583 2.945 249 HB ILE 34 HB ILE 34 1.175 -1.576 3.824 250 HG12 ILE 34 1HG1 ILE 34 0.707 1.091 2.473 251 HG13 ILE 34 2HG1 ILE 34 0.415 -0.501 1.779 252 HG21 ILE 34 1HG2 ILE 34 2.232 0.794 5.137 253 HG22 ILE 34 2HG2 ILE 34 0.471 0.785 5.058 254 HG23 ILE 34 3HG2 ILE 34 1.327 -0.563 5.807 255 HD11 ILE 34 3HD1 ILE 34 -1.665 -0.354 2.506 256 HD12 ILE 34 1HD1 ILE 34 -1.048 -0.438 4.156 257 HD13 ILE 34 2HD1 ILE 34 -1.303 1.129 3.388 258 H ILE 35 H ILE 35 4.804 0.666 4.234 259 HA ILE 35 HA ILE 35 5.905 -1.782 5.360 260 HB ILE 35 HB ILE 35 7.004 1.023 5.538 261 HG12 ILE 35 1HG1 ILE 35 6.736 0.106 3.192 262 HG13 ILE 35 2HG1 ILE 35 8.378 0.535 3.652 263 HG21 ILE 35 1HG2 ILE 35 7.757 -1.453 6.752 264 HG22 ILE 35 2HG2 ILE 35 9.025 -0.931 5.645 265 HG23 ILE 35 3HG2 ILE 35 8.485 0.141 6.935 266 HD11 ILE 35 3HD1 ILE 35 7.384 -1.941 2.696 267 HD12 ILE 35 1HD1 ILE 35 9.043 -1.492 3.095 268 HD13 ILE 35 2HD1 ILE 35 7.992 -2.177 4.334 269 H SER 36 H SER 36 5.321 1.499 6.642 270 HA SER 36 HA SER 36 4.352 0.262 9.130 271 HB2 SER 36 1HB SER 36 6.785 1.266 9.130 272 HB3 SER 36 2HB SER 36 5.932 2.806 9.247 273 HG SER 36 HG SER 36 4.846 1.917 11.100 274 H GLN 37 H GLN 37 2.279 0.796 9.285 275 HA GLN 37 HA GLN 37 1.210 3.163 8.060 276 HB2 GLN 37 1HB GLN 37 0.028 0.953 9.723 277 HB3 GLN 37 2HB GLN 37 -0.915 2.368 9.275 278 HG2 GLN 37 1HG GLN 37 -0.622 1.877 6.934 279 HG3 GLN 37 2HG GLN 37 0.441 0.524 7.321 280 HE21 GLN 37 1HE2 GLN 37 -2.220 0.782 5.929 281 HE22 GLN 37 2HE2 GLN 37 -3.219 -0.399 6.699 282 H LYS 38 H LYS 38 2.396 4.799 9.172 283 HA LYS 38 HA LYS 38 2.790 5.323 11.758 284 HB2 LYS 38 1HB LYS 38 3.029 6.853 9.642 285 HB3 LYS 38 2HB LYS 38 1.483 7.502 10.173 286 HG2 LYS 38 1HG LYS 38 3.099 8.919 11.098 287 HG3 LYS 38 2HG LYS 38 2.582 7.881 12.428 288 HD2 LYS 38 1HD LYS 38 4.547 6.502 12.173 289 HD3 LYS 38 2HD LYS 38 5.036 7.406 10.737 290 HE2 LYS 38 1HE LYS 38 4.631 8.826 13.336 291 HE3 LYS 38 2HE LYS 38 6.125 7.938 13.042 292 HZ1 LYS 38 3HZ LYS 38 6.678 9.320 11.266 293 HZ2 LYS 38 1HZ LYS 38 6.075 10.390 12.430 294 HZ3 LYS 38 2HZ LYS 38 5.111 9.938 11.115 295 H ASP 39 H ASP 39 -0.324 5.876 10.133 296 HA ASP 39 HA ASP 39 -1.777 5.238 12.519 297 HB2 ASP 39 1HB ASP 39 -1.791 8.097 11.530 298 HB3 ASP 39 2HB ASP 39 -2.930 7.437 12.702 299 H GLU 40 H GLU 40 -4.226 5.907 12.103 300 HA GLU 40 HA GLU 40 -5.007 4.497 9.769 301 HB2 GLU 40 1HB GLU 40 -6.233 4.802 12.056 302 HB3 GLU 40 2HB GLU 40 -6.891 6.251 11.307 303 HG2 GLU 40 1HG GLU 40 -7.655 4.768 9.411 304 HG3 GLU 40 2HG GLU 40 -7.238 3.398 10.441 305 H HIS 41 H HIS 41 -3.861 7.560 10.066 306 HA HIS 41 HA HIS 41 -5.447 8.538 7.781 307 HB2 HIS 41 1HB HIS 41 -4.222 9.959 10.120 308 HB3 HIS 41 2HB HIS 41 -4.456 10.822 8.601 309 HD1 HIS 41 1HD HIS 41 -6.468 12.225 8.854 310 HD2 HIS 41 2HD HIS 41 -6.982 8.475 10.566 311 HE1 HIS 41 1HE HIS 41 -8.846 12.179 9.672 312 HE2 HIS 41 2HE HIS 41 -9.108 9.932 10.780 313 H CYS 42 H CYS 42 -2.198 8.509 9.215 314 HA CYS 42 HA CYS 42 -1.086 9.043 6.543 315 HB2 CYS 42 1HB CYS 42 1.052 9.431 8.048 316 HB3 CYS 42 2HB CYS 42 -0.156 10.695 7.849 317 HG CYS 42 HG CYS 42 -0.881 10.875 10.323 318 H TRP 43 H TRP 43 -0.158 7.415 5.509 319 HA TRP 43 HA TRP 43 0.822 5.126 7.087 320 HB2 TRP 43 1HB TRP 43 -0.581 5.201 4.421 321 HB3 TRP 43 2HB TRP 43 0.353 3.802 4.943 322 HD1 TRP 43 HD TRP 43 -0.957 4.725 8.072 323 HE1 TRP 43 1HE TRP 43 -3.213 3.608 8.604 324 HE3 TRP 43 3HE TRP 43 -2.262 3.241 3.356 325 HZ2 TRP 43 2HZ TRP 43 -5.273 2.272 7.212 326 HZ3 TRP 43 3HZ TRP 43 -4.390 2.050 3.043 327 HH2 TRP 43 HH TRP 43 -5.865 1.576 4.931 328 H VAL 44 H VAL 44 2.643 3.966 6.207 329 HA VAL 44 HA VAL 44 4.315 5.610 4.419 330 HB VAL 44 HB VAL 44 5.291 3.944 6.743 331 HG11 VAL 44 1HG1 VAL 44 6.938 3.977 5.017 332 HG12 VAL 44 2HG1 VAL 44 6.725 5.711 4.767 333 HG13 VAL 44 3HG1 VAL 44 7.449 5.115 6.262 334 HG21 VAL 44 3HG2 VAL 44 4.203 6.565 6.700 335 HG22 VAL 44 1HG2 VAL 44 4.935 5.701 8.052 336 HG23 VAL 44 2HG2 VAL 44 5.935 6.700 6.999 337 H GLY 45 H GLY 45 4.462 4.579 2.533 338 HA2 GLY 45 1HA GLY 45 4.765 1.640 2.578 339 HA3 GLY 45 2HA GLY 45 4.004 2.530 1.268 340 H GLU 46 H GLU 46 5.632 1.128 0.091 341 HA GLU 46 HA GLU 46 8.146 2.636 -0.170 342 HB2 GLU 46 1HB GLU 46 8.306 0.313 0.944 343 HB3 GLU 46 2HB GLU 46 7.984 -0.326 -0.662 344 HG2 GLU 46 1HG GLU 46 10.225 1.593 -0.116 345 HG3 GLU 46 2HG GLU 46 10.408 -0.153 0.045 346 H LEU 47 H LEU 47 8.682 3.239 -2.186 347 HA LEU 47 HA LEU 47 7.732 1.848 -4.513 348 HB2 LEU 47 1HB LEU 47 5.745 3.094 -4.084 349 HB3 LEU 47 2HB LEU 47 6.663 4.572 -3.812 350 HG LEU 47 HG LEU 47 7.359 4.314 -6.292 351 HD11 LEU 47 1HD1 LEU 47 5.416 2.166 -5.968 352 HD12 LEU 47 2HD1 LEU 47 6.603 2.441 -7.241 353 HD13 LEU 47 3HD1 LEU 47 5.042 3.258 -7.301 354 HD21 LEU 47 3HD2 LEU 47 5.940 5.997 -6.636 355 HD22 LEU 47 1HD2 LEU 47 5.384 5.725 -4.984 356 HD23 LEU 47 2HD2 LEU 47 4.531 4.979 -6.335 357 H ASN 48 H ASN 48 9.086 2.141 -6.192 358 HA ASN 48 HA ASN 48 10.929 2.801 -7.352 359 HB2 ASN 48 1HB ASN 48 9.735 5.368 -6.399 360 HB3 ASN 48 2HB ASN 48 11.326 5.415 -7.152 361 HD21 ASN 48 1HD2 ASN 48 8.691 3.219 -7.919 362 HD22 ASN 48 2HD2 ASN 48 8.438 3.790 -9.528 363 H GLY 49 H GLY 49 11.335 1.833 -4.687 364 HA2 GLY 49 1HA GLY 49 13.109 1.549 -3.253 365 HA3 GLY 49 2HA GLY 49 14.055 2.556 -4.338 366 H LEU 50 H LEU 50 11.117 3.821 -3.024 367 HA LEU 50 HA LEU 50 12.689 5.472 -1.157 368 HB2 LEU 50 1HB LEU 50 10.157 6.395 -2.470 369 HB3 LEU 50 2HB LEU 50 11.400 7.358 -1.674 370 HG LEU 50 HG LEU 50 11.832 5.908 -4.281 371 HD11 LEU 50 1HD1 LEU 50 10.465 8.426 -3.705 372 HD12 LEU 50 2HD1 LEU 50 10.449 7.431 -5.159 373 HD13 LEU 50 3HD1 LEU 50 11.768 8.567 -4.883 374 HD21 LEU 50 3HD2 LEU 50 13.364 8.274 -3.293 375 HD22 LEU 50 1HD2 LEU 50 13.856 7.003 -4.412 376 HD23 LEU 50 2HD2 LEU 50 13.748 6.663 -2.684 377 H ARG 51 H ARG 51 11.493 6.298 0.702 378 HA ARG 51 HA ARG 51 9.084 4.792 1.402 379 HB2 ARG 51 1HB ARG 51 11.730 4.617 2.749 380 HB3 ARG 51 2HB ARG 51 10.302 4.648 3.775 381 HG2 ARG 51 1HG ARG 51 9.428 2.755 2.286 382 HG3 ARG 51 2HG ARG 51 11.095 2.616 1.726 383 HD2 ARG 51 1HD ARG 51 10.185 2.436 4.596 384 HD3 ARG 51 2HD ARG 51 10.603 1.067 3.566 385 HE ARG 51 HE ARG 51 12.833 2.570 3.473 386 HH11 ARG 51 1HH1 ARG 51 10.880 1.414 6.113 387 HH12 ARG 51 2HH1 ARG 51 12.206 1.321 7.224 388 HH21 ARG 51 1HH2 ARG 51 14.587 2.453 4.927 389 HH22 ARG 51 2HH2 ARG 51 14.312 1.914 6.549 390 H GLY 52 H GLY 52 7.641 6.339 1.799 391 HA2 GLY 52 1HA GLY 52 8.296 8.386 3.778 392 HA3 GLY 52 2HA GLY 52 7.803 8.952 2.189 393 H TRP 53 H TRP 53 6.333 9.751 4.289 394 HA TRP 53 HA TRP 53 4.108 7.963 4.733 395 HB2 TRP 53 1HB TRP 53 3.393 9.461 6.342 396 HB3 TRP 53 2HB TRP 53 5.124 9.787 6.332 397 HD1 TRP 53 HD TRP 53 5.918 12.060 5.025 398 HE1 TRP 53 1HE TRP 53 4.672 14.285 4.675 399 HE3 TRP 53 3HE TRP 53 1.152 10.486 6.001 400 HZ2 TRP 53 2HZ TRP 53 2.021 15.247 4.798 401 HZ3 TRP 53 3HZ TRP 53 -0.682 12.121 5.863 402 HH2 TRP 53 HH TRP 53 -0.253 14.452 5.275 403 H PHE 54 H PHE 54 1.845 8.796 4.396 404 HA PHE 54 HA PHE 54 1.261 10.760 2.469 405 HB2 PHE 54 1HB PHE 54 0.713 9.424 0.533 406 HB3 PHE 54 2HB PHE 54 2.387 9.106 0.976 407 HD1 PHE 54 1HD PHE 54 -1.053 7.772 1.450 408 HD2 PHE 54 2HD PHE 54 3.112 6.926 1.221 409 HE1 PHE 54 1HE PHE 54 -1.542 5.362 1.536 410 HE2 PHE 54 2HE PHE 54 2.630 4.515 1.305 411 HZ PHE 54 HZ PHE 54 0.301 3.730 1.461 412 HA PRO 55 HA PRO 55 -2.749 10.108 4.131 413 HB2 PRO 55 1HB PRO 55 -4.297 11.120 2.143 414 HB3 PRO 55 2HB PRO 55 -3.322 12.135 3.212 415 HG2 PRO 55 1HG PRO 55 -2.727 11.190 0.433 416 HG3 PRO 55 2HG PRO 55 -2.482 12.795 1.147 417 HD2 PRO 55 1HD PRO 55 -0.468 11.009 0.848 418 HD3 PRO 55 2HD PRO 55 -0.523 12.170 2.191 419 H ALA 56 H ALA 56 -3.484 8.078 4.323 420 HA ALA 56 HA ALA 56 -3.551 6.103 2.388 421 HB1 ALA 56 3HB ALA 56 -5.564 5.280 3.947 422 HB2 ALA 56 1HB ALA 56 -3.870 5.177 4.429 423 HB3 ALA 56 2HB ALA 56 -4.869 6.511 5.004 424 H LYS 57 H LYS 57 -5.959 8.551 3.156 425 HA LYS 57 HA LYS 57 -8.147 7.587 1.765 426 HB2 LYS 57 1HB LYS 57 -8.909 9.893 1.617 427 HB3 LYS 57 2HB LYS 57 -8.190 9.594 3.194 428 HG2 LYS 57 1HG LYS 57 -6.212 10.773 2.607 429 HG3 LYS 57 2HG LYS 57 -6.703 10.874 0.914 430 HD2 LYS 57 1HD LYS 57 -8.383 12.441 1.379 431 HD3 LYS 57 2HD LYS 57 -8.365 12.079 3.107 432 HE2 LYS 57 1HE LYS 57 -5.898 13.149 1.814 433 HE3 LYS 57 2HE LYS 57 -7.227 14.251 2.175 434 HZ1 LYS 57 3HZ LYS 57 -5.684 12.588 4.081 435 HZ2 LYS 57 1HZ LYS 57 -7.135 13.353 4.499 436 HZ3 LYS 57 2HZ LYS 57 -5.798 14.275 4.032 437 H PHE 58 H PHE 58 -5.300 9.266 0.556 438 HA PHE 58 HA PHE 58 -6.226 9.726 -2.066 439 HB2 PHE 58 1HB PHE 58 -3.574 9.691 -0.718 440 HB3 PHE 58 2HB PHE 58 -3.588 9.575 -2.474 441 HD1 PHE 58 2HD PHE 58 -4.946 11.623 0.318 442 HD2 PHE 58 1HD PHE 58 -3.697 11.500 -3.748 443 HE1 PHE 58 2HE PHE 58 -5.210 14.065 0.166 444 HE2 PHE 58 1HE PHE 58 -3.959 13.941 -3.907 445 HZ PHE 58 HZ PHE 58 -4.716 15.227 -1.949 446 H VAL 59 H VAL 59 -4.953 6.914 -0.484 447 HA VAL 59 HA VAL 59 -5.008 5.463 -3.051 448 HB VAL 59 HB VAL 59 -3.340 3.971 -2.272 449 HG11 VAL 59 1HG1 VAL 59 -2.735 6.851 -1.708 450 HG12 VAL 59 2HG1 VAL 59 -1.500 5.609 -1.514 451 HG13 VAL 59 3HG1 VAL 59 -2.256 5.863 -3.088 452 HG21 VAL 59 3HG2 VAL 59 -3.664 5.288 0.422 453 HG22 VAL 59 1HG2 VAL 59 -4.073 3.628 -0.011 454 HG23 VAL 59 2HG2 VAL 59 -2.386 4.140 0.021 455 H GLU 60 H GLU 60 -5.175 2.941 -2.436 456 HA GLU 60 HA GLU 60 -7.374 2.630 -0.509 457 HB2 GLU 60 1HB GLU 60 -8.046 2.741 -3.016 458 HB3 GLU 60 2HB GLU 60 -7.358 1.126 -3.107 459 HG2 GLU 60 1HG GLU 60 -9.784 1.098 -2.777 460 HG3 GLU 60 2HG GLU 60 -8.916 0.318 -1.457 461 H VAL 61 H VAL 61 -7.413 0.728 0.633 462 HA VAL 61 HA VAL 61 -4.949 -0.720 0.790 463 HB VAL 61 HB VAL 61 -7.558 -1.380 2.158 464 HG11 VAL 61 1HG1 VAL 61 -6.137 -3.212 2.421 465 HG12 VAL 61 2HG1 VAL 61 -4.703 -2.195 2.588 466 HG13 VAL 61 3HG1 VAL 61 -5.891 -2.270 3.891 467 HG21 VAL 61 3HG2 VAL 61 -7.253 0.274 3.643 468 HG22 VAL 61 1HG2 VAL 61 -5.507 0.032 3.694 469 HG23 VAL 61 2HG2 VAL 61 -6.227 0.993 2.402 470 H LEU 62 H LEU 62 -4.709 -3.018 0.576 471 HA LEU 62 HA LEU 62 -6.719 -4.375 -1.064 472 HB2 LEU 62 1HB LEU 62 -3.873 -4.721 -1.842 473 HB3 LEU 62 2HB LEU 62 -5.335 -4.862 -2.816 474 HG LEU 62 HG LEU 62 -4.472 -2.171 -1.846 475 HD11 LEU 62 1HD1 LEU 62 -2.775 -3.827 -3.335 476 HD12 LEU 62 2HD1 LEU 62 -2.630 -2.089 -3.078 477 HD13 LEU 62 3HD1 LEU 62 -3.489 -2.703 -4.490 478 HD21 LEU 62 3HD2 LEU 62 -5.362 -1.886 -4.371 479 HD22 LEU 62 1HD2 LEU 62 -6.408 -1.834 -2.952 480 HD23 LEU 62 2HD2 LEU 62 -6.264 -3.323 -3.885 481 H ASP 63 H ASP 63 -7.196 -6.201 -0.057 482 HA ASP 63 HA ASP 63 -5.040 -7.643 1.344 483 HB2 ASP 63 1HB ASP 63 -7.024 -6.571 2.684 484 HB3 ASP 63 2HB ASP 63 -7.919 -7.972 2.102 485 H GLU 64 H GLU 64 -4.649 -8.715 -0.709 486 HA GLU 64 HA GLU 64 -6.722 -10.640 -1.491 487 HB2 GLU 64 1HB GLU 64 -5.391 -10.963 -3.533 488 HB3 GLU 64 2HB GLU 64 -5.829 -9.276 -3.303 489 HG2 GLU 64 1HG GLU 64 -3.553 -9.433 -4.061 490 HG3 GLU 64 2HG GLU 64 -3.587 -8.836 -2.404 491 H ARG 65 H ARG 65 -5.981 -12.844 -2.074 492 HA ARG 65 HA ARG 65 -3.677 -13.734 -0.484 493 HB2 ARG 65 1HB ARG 65 -6.460 -14.900 -0.455 494 HB3 ARG 65 2HB ARG 65 -5.052 -15.756 0.156 495 HG2 ARG 65 1HG ARG 65 -4.723 -14.166 1.880 496 HG3 ARG 65 2HG ARG 65 -5.893 -13.054 1.166 497 HD2 ARG 65 1HD ARG 65 -6.635 -15.808 2.119 498 HD3 ARG 65 2HD ARG 65 -6.675 -14.395 3.172 499 HE ARG 65 HE ARG 65 -8.148 -13.653 1.007 500 HH11 ARG 65 1HH1 ARG 65 -8.256 -16.321 3.240 501 HH12 ARG 65 2HH1 ARG 65 -9.974 -16.521 3.121 502 HH21 ARG 65 1HH2 ARG 65 -10.410 -13.905 0.842 503 HH22 ARG 65 2HH2 ARG 65 -11.198 -15.146 1.758 504 H SER 66 H SER 66 -2.291 -14.588 -1.882 505 HA SER 66 HA SER 66 -3.348 -16.142 -4.148 506 HB2 SER 66 1HB SER 66 -1.846 -14.016 -4.465 507 HB3 SER 66 2HB SER 66 -0.531 -15.116 -4.054 508 HG SER 66 HG SER 66 -0.693 -15.975 -5.960 509 H LYS 67 H LYS 67 -1.693 -17.834 -4.930 510 HA LYS 67 HA LYS 67 -1.054 -19.995 -4.400 511 HB2 LYS 67 1HB LYS 67 1.192 -20.014 -3.434 512 HB3 LYS 67 2HB LYS 67 1.029 -18.721 -4.616 513 HG2 LYS 67 1HG LYS 67 1.205 -17.076 -3.052 514 HG3 LYS 67 2HG LYS 67 0.513 -18.069 -1.767 515 HD2 LYS 67 1HD LYS 67 3.191 -18.724 -2.942 516 HD3 LYS 67 2HD LYS 67 3.031 -17.500 -1.681 517 HE2 LYS 67 1HE LYS 67 2.177 -19.072 -0.136 518 HE3 LYS 67 2HE LYS 67 1.914 -20.278 -1.395 519 HZ1 LYS 67 3HZ LYS 67 4.214 -19.843 0.176 520 HZ2 LYS 67 1HZ LYS 67 4.610 -19.620 -1.454 521 HZ3 LYS 67 2HZ LYS 67 3.914 -21.074 -0.943 522 H GLU 68 H GLU 68 -3.174 -19.700 -2.876 523 HA GLU 68 HA GLU 68 -2.575 -19.977 -0.069 524 HB2 GLU 68 1HB GLU 68 -5.127 -20.646 -0.112 525 HB3 GLU 68 2HB GLU 68 -4.624 -18.971 -0.295 526 HG2 GLU 68 1HG GLU 68 -5.112 -18.927 -2.545 527 HG3 GLU 68 2HG GLU 68 -4.992 -20.677 -2.713 528 H TYR 69 H TYR 69 -1.747 -21.797 0.703 529 HA TYR 69 HA TYR 69 -2.840 -24.352 -0.262 530 HB2 TYR 69 1HB TYR 69 0.058 -23.684 0.276 531 HB3 TYR 69 2HB TYR 69 -0.544 -25.326 0.071 532 HD1 TYR 69 2HD TYR 69 0.139 -22.139 -1.617 533 HD2 TYR 69 1HD TYR 69 -1.179 -26.155 -2.107 534 HE1 TYR 69 2HE TYR 69 0.405 -21.924 -4.052 535 HE2 TYR 69 1HE TYR 69 -0.915 -25.951 -4.544 536 HH TYR 69 HH TYR 69 0.748 -23.381 -6.003 537 H SER 70 H SER 70 -0.744 -23.009 2.295 538 HA SER 70 HA SER 70 -1.015 -24.903 4.226 539 HB2 SER 70 1HB SER 70 -0.701 -21.937 4.328 540 HB3 SER 70 2HB SER 70 -1.048 -22.786 5.835 541 HG SER 70 HG SER 70 0.985 -23.277 5.859 542 H ILE 71 H ILE 71 -3.399 -22.527 3.256 543 HA ILE 71 HA ILE 71 -5.267 -23.621 5.252 544 HB ILE 71 HB ILE 71 -6.604 -21.566 4.895 545 HG12 ILE 71 1HG1 ILE 71 -4.208 -20.606 3.318 546 HG13 ILE 71 2HG1 ILE 71 -5.740 -21.091 2.602 547 HG21 ILE 71 1HG2 ILE 71 -3.743 -21.122 5.737 548 HG22 ILE 71 2HG2 ILE 71 -5.092 -20.051 6.109 549 HG23 ILE 71 3HG2 ILE 71 -5.063 -21.689 6.760 550 HD11 ILE 71 3HD1 ILE 71 -5.300 -18.790 4.490 551 HD12 ILE 71 1HD1 ILE 71 -5.607 -18.691 2.755 552 HD13 ILE 71 2HD1 ILE 71 -6.860 -19.292 3.840 553 H ALA 72 H ALA 72 -7.191 -24.478 4.620 554 HA ALA 72 HA ALA 72 -8.388 -24.092 2.092 555 HB1 ALA 72 3HB ALA 72 -6.698 -26.556 2.414 556 HB2 ALA 72 1HB ALA 72 -8.037 -26.472 1.271 557 HB3 ALA 72 2HB ALA 72 -6.671 -25.368 1.111 558 H SER 73 H SER 73 -10.237 -25.597 1.738 559 HA SER 73 HA SER 73 -11.381 -26.347 4.334 560 HB2 SER 73 1HB SER 73 -12.765 -25.902 1.678 561 HB3 SER 73 2HB SER 73 -13.560 -26.212 3.221 562 HG SER 73 HG SER 73 -13.485 -23.977 2.716 563 H GLY 74 H GLY 74 -12.738 -28.287 4.434 564 HA2 GLY 74 1HA GLY 74 -12.141 -30.330 2.424 565 HA3 GLY 74 2HA GLY 74 -11.628 -30.641 4.076 566 HA PRO 75 HA PRO 75 -15.547 -32.472 4.827 567 HB2 PRO 75 1HB PRO 75 -15.656 -32.216 7.528 568 HB3 PRO 75 2HB PRO 75 -14.603 -33.378 6.714 569 HG2 PRO 75 1HG PRO 75 -13.940 -30.684 7.837 570 HG3 PRO 75 2HG PRO 75 -13.026 -32.198 7.951 571 HD2 PRO 75 1HD PRO 75 -12.389 -30.244 6.189 572 HD3 PRO 75 2HD PRO 75 -12.130 -31.965 5.841 573 H SER 76 H SER 76 -16.771 -30.796 3.746 574 HA SER 76 HA SER 76 -17.914 -28.773 5.548 575 HB2 SER 76 1HB SER 76 -18.585 -27.563 3.528 576 HB3 SER 76 2HB SER 76 -16.854 -27.900 3.495 577 HG SER 76 HG SER 76 -17.714 -29.915 2.296 578 H SER 77 H SER 77 -19.754 -29.411 6.450 579 HA SER 77 HA SER 77 -21.734 -30.509 6.788 580 HB2 SER 77 1HB SER 77 -23.455 -29.981 5.124 581 HB3 SER 77 2HB SER 77 -22.440 -28.572 5.434 582 HG SER 77 HG SER 77 -21.736 -30.295 3.346 583 H GLY 78 H GLY 78 -19.742 -32.294 6.054 584 HA2 GLY 78 1HA GLY 78 -20.699 -34.680 5.733 585 HA3 GLY 78 2HA GLY 78 -21.015 -34.091 4.107 Start of MODEL 2 1 H1 GLY 1 H GLY 1 16.745 -20.296 11.309 2 HA2 GLY 1 1HA GLY 1 15.353 -18.790 9.790 3 HA3 GLY 1 2HA GLY 1 14.748 -20.428 9.982 4 H SER 2 H SER 2 13.888 -17.254 10.054 5 HA SER 2 HA SER 2 11.770 -17.635 12.048 6 HB2 SER 2 1HB SER 2 11.446 -15.176 11.849 7 HB3 SER 2 2HB SER 2 13.079 -15.611 12.352 8 HG SER 2 HG SER 2 13.841 -14.806 10.559 9 H SER 3 H SER 3 9.593 -17.208 11.548 10 HA SER 3 HA SER 3 8.944 -17.076 8.682 11 HB2 SER 3 1HB SER 3 7.770 -18.974 10.725 12 HB3 SER 3 2HB SER 3 7.080 -18.704 9.124 13 HG SER 3 HG SER 3 9.032 -20.354 9.792 14 H GLY 4 H GLY 4 6.761 -16.326 8.224 15 HA2 GLY 4 1HA GLY 4 4.677 -15.402 9.157 16 HA3 GLY 4 2HA GLY 4 5.665 -14.670 10.413 17 H SER 5 H SER 5 5.679 -14.775 6.846 18 HA SER 5 HA SER 5 6.854 -12.252 6.510 19 HB2 SER 5 1HB SER 5 5.117 -13.917 4.682 20 HB3 SER 5 2HB SER 5 5.857 -12.397 4.175 21 HG SER 5 HG SER 5 7.249 -14.669 5.160 22 H SER 6 H SER 6 6.084 -10.308 6.953 23 HA SER 6 HA SER 6 3.166 -9.899 6.894 24 HB2 SER 6 1HB SER 6 3.585 -8.078 8.580 25 HB3 SER 6 2HB SER 6 3.934 -9.704 9.166 26 HG SER 6 HG SER 6 6.113 -9.313 8.886 27 H GLY 7 H GLY 7 2.379 -8.328 5.622 28 HA2 GLY 7 1HA GLY 7 3.596 -5.917 4.965 29 HA3 GLY 7 2HA GLY 7 4.059 -7.065 3.719 30 H ARG 8 H ARG 8 2.344 -4.630 3.641 31 HA ARG 8 HA ARG 8 -0.024 -5.905 2.447 32 HB2 ARG 8 1HB ARG 8 0.140 -3.565 4.305 33 HB3 ARG 8 2HB ARG 8 -1.137 -3.615 3.098 34 HG2 ARG 8 1HG ARG 8 -1.908 -5.750 3.989 35 HG3 ARG 8 2HG ARG 8 -0.619 -5.714 5.194 36 HD2 ARG 8 1HD ARG 8 -1.596 -3.987 6.378 37 HD3 ARG 8 2HD ARG 8 -2.520 -3.420 4.989 38 HE ARG 8 HE ARG 8 -3.431 -5.975 5.654 39 HH11 ARG 8 1HH1 ARG 8 -3.372 -2.762 6.993 40 HH12 ARG 8 2HH1 ARG 8 -4.835 -2.971 7.898 41 HH21 ARG 8 1HH2 ARG 8 -5.357 -6.263 6.841 42 HH22 ARG 8 2HH2 ARG 8 -5.962 -4.964 7.812 43 H ARG 9 H ARG 9 -1.184 -4.242 0.966 44 HA ARG 9 HA ARG 9 0.706 -2.490 -0.410 45 HB2 ARG 9 1HB ARG 9 -0.905 -4.583 -1.878 46 HB3 ARG 9 2HB ARG 9 0.227 -3.437 -2.585 47 HG2 ARG 9 1HG ARG 9 1.948 -4.580 -1.003 48 HG3 ARG 9 2HG ARG 9 0.769 -5.892 -0.986 49 HD2 ARG 9 1HD ARG 9 1.612 -4.710 -3.594 50 HD3 ARG 9 2HD ARG 9 2.689 -5.838 -2.769 51 HE ARG 9 HE ARG 9 0.103 -6.938 -2.891 52 HH11 ARG 9 1HH1 ARG 9 2.801 -6.161 -4.949 53 HH12 ARG 9 2HH1 ARG 9 2.451 -7.407 -6.101 54 HH21 ARG 9 1HH2 ARG 9 -0.370 -8.584 -4.400 55 HH22 ARG 9 2HH2 ARG 9 0.646 -8.783 -5.788 56 H ALA 10 H ALA 10 -0.223 -0.729 -1.359 57 HA ALA 10 HA ALA 10 -3.162 -0.547 -1.220 58 HB1 ALA 10 3HB ALA 10 -1.325 0.951 0.241 59 HB2 ALA 10 1HB ALA 10 -1.866 2.027 -1.047 60 HB3 ALA 10 2HB ALA 10 -3.045 1.285 0.036 61 H LYS 11 H LYS 11 -4.216 0.575 -2.859 62 HA LYS 11 HA LYS 11 -2.597 1.003 -5.278 63 HB2 LYS 11 1HB LYS 11 -4.282 -0.686 -5.596 64 HB3 LYS 11 2HB LYS 11 -5.527 0.360 -4.929 65 HG2 LYS 11 1HG LYS 11 -5.200 1.896 -6.841 66 HG3 LYS 11 2HG LYS 11 -4.052 0.742 -7.525 67 HD2 LYS 11 1HD LYS 11 -5.956 0.088 -8.611 68 HD3 LYS 11 2HD LYS 11 -6.067 -0.932 -7.174 69 HE2 LYS 11 1HE LYS 11 -7.413 1.746 -7.514 70 HE3 LYS 11 2HE LYS 11 -8.199 0.183 -7.730 71 HZ1 LYS 11 3HZ LYS 11 -7.338 -0.228 -5.336 72 HZ2 LYS 11 1HZ LYS 11 -8.735 0.697 -5.573 73 HZ3 LYS 11 2HZ LYS 11 -7.260 1.460 -5.254 74 H ALA 12 H ALA 12 -2.395 2.985 -6.099 75 HA ALA 12 HA ALA 12 -3.540 5.232 -4.750 76 HB1 ALA 12 3HB ALA 12 -2.391 6.530 -6.587 77 HB2 ALA 12 1HB ALA 12 -1.348 5.511 -5.593 78 HB3 ALA 12 2HB ALA 12 -1.822 4.979 -7.207 79 H LEU 13 H LEU 13 -5.603 5.777 -5.011 80 HA LEU 13 HA LEU 13 -7.151 5.056 -7.284 81 HB2 LEU 13 1HB LEU 13 -7.778 7.108 -5.168 82 HB3 LEU 13 2HB LEU 13 -8.928 6.335 -6.257 83 HG LEU 13 HG LEU 13 -7.335 4.825 -4.193 84 HD11 LEU 13 1HD1 LEU 13 -8.616 6.249 -2.869 85 HD12 LEU 13 2HD1 LEU 13 -9.611 4.800 -3.006 86 HD13 LEU 13 3HD1 LEU 13 -9.981 6.219 -3.986 87 HD21 LEU 13 3HD2 LEU 13 -9.062 3.123 -4.546 88 HD22 LEU 13 1HD2 LEU 13 -8.190 3.485 -6.036 89 HD23 LEU 13 2HD2 LEU 13 -9.808 4.139 -5.779 90 H LEU 14 H LEU 14 -5.058 7.665 -6.611 91 HA LEU 14 HA LEU 14 -5.597 8.832 -9.194 92 HB2 LEU 14 1HB LEU 14 -5.900 11.119 -8.272 93 HB3 LEU 14 2HB LEU 14 -7.242 10.023 -7.950 94 HG LEU 14 HG LEU 14 -5.133 10.420 -5.870 95 HD11 LEU 14 1HD1 LEU 14 -5.832 12.674 -6.649 96 HD12 LEU 14 2HD1 LEU 14 -6.268 12.330 -4.976 97 HD13 LEU 14 3HD1 LEU 14 -7.496 12.253 -6.240 98 HD21 LEU 14 3HD2 LEU 14 -6.563 8.840 -5.087 99 HD22 LEU 14 1HD2 LEU 14 -7.920 9.431 -6.046 100 HD23 LEU 14 2HD2 LEU 14 -7.452 10.273 -4.569 101 H ASP 15 H ASP 15 -4.187 11.071 -9.183 102 HA ASP 15 HA ASP 15 -1.488 10.138 -8.717 103 HB2 ASP 15 1HB ASP 15 -0.806 11.754 -10.207 104 HB3 ASP 15 2HB ASP 15 -2.467 11.523 -10.748 105 H PHE 16 H PHE 16 0.021 11.053 -7.356 106 HA PHE 16 HA PHE 16 -0.887 13.180 -5.555 107 HB2 PHE 16 1HB PHE 16 -1.241 10.948 -4.473 108 HB3 PHE 16 2HB PHE 16 0.493 10.669 -4.592 109 HD1 PHE 16 1HD PHE 16 -1.874 13.260 -3.326 110 HD2 PHE 16 2HD PHE 16 1.778 11.148 -2.755 111 HE1 PHE 16 1HE PHE 16 -1.546 14.413 -1.176 112 HE2 PHE 16 2HE PHE 16 2.110 12.296 -0.605 113 HZ PHE 16 HZ PHE 16 0.446 13.931 0.188 114 H GLU 17 H GLU 17 0.570 14.747 -5.365 115 HA GLU 17 HA GLU 17 3.336 14.177 -6.191 116 HB2 GLU 17 1HB GLU 17 3.476 16.668 -6.545 117 HB3 GLU 17 2HB GLU 17 2.378 15.819 -7.625 118 HG2 GLU 17 1HG GLU 17 0.490 16.507 -6.205 119 HG3 GLU 17 2HG GLU 17 1.610 17.414 -5.191 120 H ARG 18 H ARG 18 4.479 13.719 -4.406 121 HA ARG 18 HA ARG 18 3.994 14.575 -1.814 122 HB2 ARG 18 1HB ARG 18 6.117 13.721 -1.249 123 HB3 ARG 18 2HB ARG 18 5.589 12.752 -2.619 124 HG2 ARG 18 1HG ARG 18 6.929 14.573 -3.978 125 HG3 ARG 18 2HG ARG 18 7.770 14.755 -2.437 126 HD2 ARG 18 1HD ARG 18 8.590 12.592 -2.480 127 HD3 ARG 18 2HD ARG 18 7.333 12.030 -3.581 128 HE ARG 18 HE ARG 18 8.706 12.571 -5.315 129 HH11 ARG 18 1HH1 ARG 18 9.690 14.397 -2.519 130 HH12 ARG 18 2HH1 ARG 18 11.073 15.092 -3.299 131 HH21 ARG 18 1HH2 ARG 18 10.524 13.479 -6.352 132 HH22 ARG 18 2HH2 ARG 18 11.546 14.569 -5.478 133 H HIS 19 H HIS 19 4.038 16.528 -0.940 134 HA HIS 19 HA HIS 19 5.156 18.779 -2.287 135 HB2 HIS 19 1HB HIS 19 3.328 19.411 -1.036 136 HB3 HIS 19 2HB HIS 19 3.724 18.321 0.289 137 HD1 HIS 19 1HD HIS 19 5.958 19.142 1.700 138 HD2 HIS 19 2HD HIS 19 3.897 22.000 -0.501 139 HE1 HIS 19 1HE HIS 19 6.659 21.360 2.655 140 HE2 HIS 19 2HE HIS 19 5.334 23.070 1.364 141 H ASP 20 H ASP 20 6.102 16.860 0.527 142 HA ASP 20 HA ASP 20 8.608 18.384 0.691 143 HB2 ASP 20 1HB ASP 20 6.977 17.866 2.714 144 HB3 ASP 20 2HB ASP 20 7.855 16.339 2.733 145 H ASP 21 H ASP 21 10.589 17.133 1.156 146 HA ASP 21 HA ASP 21 11.041 15.175 -0.805 147 HB2 ASP 21 1HB ASP 21 12.616 16.123 1.575 148 HB3 ASP 21 2HB ASP 21 13.192 14.780 0.590 149 H ASP 22 H ASP 22 10.266 14.934 2.614 150 HA ASP 22 HA ASP 22 10.775 12.157 2.877 151 HB2 ASP 22 1HB ASP 22 8.975 13.981 4.482 152 HB3 ASP 22 2HB ASP 22 9.409 12.340 4.946 153 H GLU 23 H GLU 23 7.783 14.002 2.332 154 HA GLU 23 HA GLU 23 5.921 12.002 2.347 155 HB2 GLU 23 1HB GLU 23 6.167 14.503 0.718 156 HB3 GLU 23 2HB GLU 23 4.841 13.393 0.409 157 HG2 GLU 23 1HG GLU 23 3.997 13.657 2.613 158 HG3 GLU 23 2HG GLU 23 5.436 14.538 3.122 159 H LEU 24 H LEU 24 5.186 10.442 0.962 160 HA LEU 24 HA LEU 24 7.016 9.706 -1.199 161 HB2 LEU 24 1HB LEU 24 6.437 8.052 0.555 162 HB3 LEU 24 2HB LEU 24 4.757 8.126 0.023 163 HG LEU 24 HG LEU 24 5.550 7.303 -2.225 164 HD11 LEU 24 1HD1 LEU 24 7.813 7.680 -2.357 165 HD12 LEU 24 2HD1 LEU 24 7.775 5.971 -1.927 166 HD13 LEU 24 3HD1 LEU 24 8.106 7.182 -0.690 167 HD21 LEU 24 3HD2 LEU 24 5.557 5.015 -1.554 168 HD22 LEU 24 1HD2 LEU 24 4.495 5.888 -0.450 169 HD23 LEU 24 2HD2 LEU 24 6.119 5.429 0.067 170 H GLY 25 H GLY 25 6.526 10.285 -3.204 171 HA2 GLY 25 1HA GLY 25 3.746 10.920 -3.874 172 HA3 GLY 25 2HA GLY 25 5.164 11.360 -4.815 173 H PHE 26 H PHE 26 2.635 10.017 -5.589 174 HA PHE 26 HA PHE 26 3.863 7.857 -7.097 175 HB2 PHE 26 1HB PHE 26 1.758 6.429 -6.514 176 HB3 PHE 26 2HB PHE 26 3.113 6.470 -5.390 177 HD1 PHE 26 2HD PHE 26 2.954 7.722 -3.299 178 HD2 PHE 26 1HD PHE 26 -0.352 7.407 -5.960 179 HE1 PHE 26 2HE PHE 26 1.445 8.474 -1.506 180 HE2 PHE 26 1HE PHE 26 -1.867 8.157 -4.173 181 HZ PHE 26 HZ PHE 26 -0.969 8.692 -1.942 182 H ARG 27 H ARG 27 2.095 6.873 -8.614 183 HA ARG 27 HA ARG 27 0.552 9.132 -9.708 184 HB2 ARG 27 1HB ARG 27 1.785 6.763 -11.124 185 HB3 ARG 27 2HB ARG 27 0.753 7.957 -11.897 186 HG2 ARG 27 1HG ARG 27 3.251 8.769 -10.461 187 HG3 ARG 27 2HG ARG 27 3.292 8.201 -12.131 188 HD2 ARG 27 1HD ARG 27 1.909 9.978 -12.865 189 HD3 ARG 27 2HD ARG 27 1.490 10.426 -11.212 190 HE ARG 27 HE ARG 27 3.787 11.256 -12.683 191 HH11 ARG 27 1HH1 ARG 27 2.621 10.526 -9.485 192 HH12 ARG 27 2HH1 ARG 27 3.771 11.549 -8.690 193 HH21 ARG 27 1HH2 ARG 27 5.306 12.608 -11.648 194 HH22 ARG 27 2HH2 ARG 27 5.296 12.734 -9.922 195 H LYS 28 H LYS 28 -1.352 8.389 -11.078 196 HA LYS 28 HA LYS 28 -3.152 6.960 -9.443 197 HB2 LYS 28 1HB LYS 28 -3.834 8.712 -11.052 198 HB3 LYS 28 2HB LYS 28 -3.408 7.639 -12.380 199 HG2 LYS 28 1HG LYS 28 -5.112 6.039 -11.592 200 HG3 LYS 28 2HG LYS 28 -5.571 7.189 -10.334 201 HD2 LYS 28 1HD LYS 28 -5.575 7.918 -13.251 202 HD3 LYS 28 2HD LYS 28 -6.970 7.173 -12.466 203 HE2 LYS 28 1HE LYS 28 -7.003 9.021 -10.836 204 HE3 LYS 28 2HE LYS 28 -5.650 9.771 -11.680 205 HZ1 LYS 28 3HZ LYS 28 -8.458 9.613 -12.442 206 HZ2 LYS 28 1HZ LYS 28 -7.330 9.477 -13.695 207 HZ3 LYS 28 2HZ LYS 28 -7.331 10.848 -12.705 208 H ASN 29 H ASN 29 -3.967 4.902 -9.560 209 HA ASN 29 HA ASN 29 -4.021 2.670 -9.989 210 HB2 ASN 29 1HB ASN 29 -2.953 3.438 -12.714 211 HB3 ASN 29 2HB ASN 29 -3.743 1.923 -12.290 212 HD21 ASN 29 1HD2 ASN 29 -4.202 4.788 -13.757 213 HD22 ASN 29 2HD2 ASN 29 -5.912 4.950 -13.579 214 H ASP 30 H ASP 30 -1.771 3.668 -8.665 215 HA ASP 30 HA ASP 30 0.373 1.923 -9.688 216 HB2 ASP 30 1HB ASP 30 0.530 4.494 -8.112 217 HB3 ASP 30 2HB ASP 30 1.901 3.406 -8.307 218 H ILE 31 H ILE 31 1.272 0.432 -8.343 219 HA ILE 31 HA ILE 31 -0.141 -0.062 -5.839 220 HB ILE 31 HB ILE 31 1.909 -1.784 -7.237 221 HG12 ILE 31 1HG1 ILE 31 -0.131 -1.445 -8.589 222 HG13 ILE 31 2HG1 ILE 31 0.018 -3.107 -8.028 223 HG21 ILE 31 1HG2 ILE 31 0.298 -3.388 -5.673 224 HG22 ILE 31 2HG2 ILE 31 1.938 -2.867 -5.288 225 HG23 ILE 31 3HG2 ILE 31 0.558 -1.959 -4.672 226 HD11 ILE 31 3HD1 ILE 31 -1.466 -1.888 -6.052 227 HD12 ILE 31 1HD1 ILE 31 -2.067 -1.159 -7.542 228 HD13 ILE 31 2HD1 ILE 31 -2.083 -2.913 -7.348 229 H ILE 32 H ILE 32 0.663 0.542 -3.950 230 HA ILE 32 HA ILE 32 3.578 0.928 -3.718 231 HB ILE 32 HB ILE 32 1.423 2.447 -2.243 232 HG12 ILE 32 1HG1 ILE 32 3.337 3.727 -4.142 233 HG13 ILE 32 2HG1 ILE 32 1.964 2.852 -4.809 234 HG21 ILE 32 1HG2 ILE 32 3.493 2.109 -0.955 235 HG22 ILE 32 2HG2 ILE 32 4.412 2.846 -2.267 236 HG23 ILE 32 3HG2 ILE 32 3.232 3.803 -1.371 237 HD11 ILE 32 3HD1 ILE 32 0.866 4.437 -2.821 238 HD12 ILE 32 1HD1 ILE 32 2.075 5.462 -3.593 239 HD13 ILE 32 2HD1 ILE 32 0.803 4.719 -4.561 240 H THR 33 H THR 33 4.580 -0.262 -2.236 241 HA THR 33 HA THR 33 3.130 -2.124 -0.627 242 HB THR 33 HB THR 33 6.073 -1.438 -0.683 243 HG1 THR 33 1HG THR 33 4.419 -3.233 -2.047 244 HG21 THR 33 3HG2 THR 33 4.596 -2.905 1.261 245 HG22 THR 33 1HG2 THR 33 6.341 -2.670 1.152 246 HG23 THR 33 2HG2 THR 33 5.583 -4.042 0.340 247 H ILE 34 H ILE 34 2.641 -2.069 1.500 248 HA ILE 34 HA ILE 34 3.082 0.460 2.895 249 HB ILE 34 HB ILE 34 1.313 -1.883 3.608 250 HG12 ILE 34 1HG1 ILE 34 0.725 0.837 2.426 251 HG13 ILE 34 2HG1 ILE 34 0.475 -0.729 1.662 252 HG21 ILE 34 1HG2 ILE 34 2.310 0.189 5.245 253 HG22 ILE 34 2HG2 ILE 34 0.609 0.540 4.940 254 HG23 ILE 34 3HG2 ILE 34 1.079 -1.012 5.635 255 HD11 ILE 34 3HD1 ILE 34 -1.333 0.779 3.211 256 HD12 ILE 34 1HD1 ILE 34 -1.577 -0.805 2.472 257 HD13 ILE 34 2HD1 ILE 34 -0.952 -0.685 4.119 258 H ILE 35 H ILE 35 4.764 0.643 4.205 259 HA ILE 35 HA ILE 35 6.013 -1.746 5.317 260 HB ILE 35 HB ILE 35 6.937 1.122 5.515 261 HG12 ILE 35 1HG1 ILE 35 6.766 0.242 3.166 262 HG13 ILE 35 2HG1 ILE 35 8.395 0.689 3.660 263 HG21 ILE 35 1HG2 ILE 35 8.200 0.155 7.119 264 HG22 ILE 35 2HG2 ILE 35 7.987 -1.467 6.461 265 HG23 ILE 35 3HG2 ILE 35 9.160 -0.368 5.735 266 HD11 ILE 35 3HD1 ILE 35 9.092 -1.314 3.058 267 HD12 ILE 35 1HD1 ILE 35 8.065 -2.031 4.298 268 HD13 ILE 35 2HD1 ILE 35 7.442 -1.798 2.666 269 H SER 36 H SER 36 5.140 1.478 6.581 270 HA SER 36 HA SER 36 4.249 0.175 9.062 271 HB2 SER 36 1HB SER 36 6.615 1.371 9.064 272 HB3 SER 36 2HB SER 36 5.627 2.820 9.249 273 HG SER 36 HG SER 36 5.082 2.214 11.208 274 H GLN 37 H GLN 37 3.136 1.963 10.493 275 HA GLN 37 HA GLN 37 1.507 3.706 8.779 276 HB2 GLN 37 1HB GLN 37 0.384 2.007 11.010 277 HB3 GLN 37 2HB GLN 37 -0.518 3.048 9.916 278 HG2 GLN 37 1HG GLN 37 0.293 1.581 8.038 279 HG3 GLN 37 2HG GLN 37 0.890 0.475 9.274 280 HE21 GLN 37 1HE2 GLN 37 -1.734 1.368 7.389 281 HE22 GLN 37 2HE2 GLN 37 -2.951 0.433 8.179 282 H LYS 38 H LYS 38 2.917 5.374 9.593 283 HA LYS 38 HA LYS 38 3.385 6.012 12.238 284 HB2 LYS 38 1HB LYS 38 3.092 7.719 9.780 285 HB3 LYS 38 2HB LYS 38 3.431 8.439 11.349 286 HG2 LYS 38 1HG LYS 38 5.152 6.207 10.387 287 HG3 LYS 38 2HG LYS 38 5.366 7.820 9.702 288 HD2 LYS 38 1HD LYS 38 5.338 7.286 12.667 289 HD3 LYS 38 2HD LYS 38 6.815 7.258 11.700 290 HE2 LYS 38 1HE LYS 38 6.231 9.588 10.945 291 HE3 LYS 38 2HE LYS 38 4.954 9.581 12.160 292 HZ1 LYS 38 3HZ LYS 38 7.634 8.857 13.055 293 HZ2 LYS 38 1HZ LYS 38 6.429 9.742 13.848 294 HZ3 LYS 38 2HZ LYS 38 7.377 10.480 12.658 295 H ASP 39 H ASP 39 0.550 6.685 10.266 296 HA ASP 39 HA ASP 39 -0.995 7.184 12.668 297 HB2 ASP 39 1HB ASP 39 -1.191 9.233 10.479 298 HB3 ASP 39 2HB ASP 39 -1.734 9.345 12.151 299 H GLU 40 H GLU 40 -3.285 7.085 12.316 300 HA GLU 40 HA GLU 40 -4.081 5.099 10.524 301 HB2 GLU 40 1HB GLU 40 -5.551 7.093 12.205 302 HB3 GLU 40 2HB GLU 40 -6.442 6.116 11.046 303 HG2 GLU 40 1HG GLU 40 -6.626 4.858 12.952 304 HG3 GLU 40 2HG GLU 40 -5.220 4.126 12.180 305 H HIS 41 H HIS 41 -4.011 8.583 10.210 306 HA HIS 41 HA HIS 41 -5.463 8.525 7.693 307 HB2 HIS 41 1HB HIS 41 -4.096 10.871 9.025 308 HB3 HIS 41 2HB HIS 41 -5.292 10.935 7.734 309 HD1 HIS 41 1HD HIS 41 -5.380 12.091 10.810 310 HD2 HIS 41 2HD HIS 41 -7.526 8.940 9.159 311 HE1 HIS 41 1HE HIS 41 -7.425 11.841 12.252 312 HE2 HIS 41 2HE HIS 41 -8.665 9.874 11.284 313 H CYS 42 H CYS 42 -2.178 8.897 8.867 314 HA CYS 42 HA CYS 42 -1.241 9.017 6.076 315 HB2 CYS 42 1HB CYS 42 0.061 10.045 8.602 316 HB3 CYS 42 2HB CYS 42 0.860 9.994 7.035 317 HG CYS 42 HG CYS 42 -1.924 11.839 7.788 318 H TRP 43 H TRP 43 -0.329 7.225 5.344 319 HA TRP 43 HA TRP 43 0.804 5.328 7.289 320 HB2 TRP 43 1HB TRP 43 -0.350 4.865 4.534 321 HB3 TRP 43 2HB TRP 43 0.467 3.623 5.479 322 HD1 TRP 43 HD TRP 43 -1.053 4.876 8.246 323 HE1 TRP 43 1HE TRP 43 -3.454 4.041 8.658 324 HE3 TRP 43 3HE TRP 43 -2.153 3.204 3.541 325 HZ2 TRP 43 2HZ TRP 43 -5.537 2.834 7.186 326 HZ3 TRP 43 3HZ TRP 43 -4.370 2.221 3.127 327 HH2 TRP 43 HH TRP 43 -6.025 2.041 4.912 328 H VAL 44 H VAL 44 2.587 3.929 6.332 329 HA VAL 44 HA VAL 44 4.376 5.589 4.676 330 HB VAL 44 HB VAL 44 5.007 3.951 7.117 331 HG11 VAL 44 1HG1 VAL 44 7.442 4.577 6.479 332 HG12 VAL 44 2HG1 VAL 44 6.688 3.165 5.732 333 HG13 VAL 44 3HG1 VAL 44 6.801 4.684 4.840 334 HG21 VAL 44 3HG2 VAL 44 4.818 6.750 6.477 335 HG22 VAL 44 1HG2 VAL 44 5.029 5.971 8.046 336 HG23 VAL 44 2HG2 VAL 44 6.437 6.354 7.056 337 H GLY 45 H GLY 45 4.761 4.679 2.773 338 HA2 GLY 45 1HA GLY 45 4.860 1.727 2.638 339 HA3 GLY 45 2HA GLY 45 4.171 2.718 1.360 340 H GLU 46 H GLU 46 5.789 1.321 0.156 341 HA GLU 46 HA GLU 46 8.294 2.833 -0.061 342 HB2 GLU 46 1HB GLU 46 8.475 0.573 1.215 343 HB3 GLU 46 2HB GLU 46 8.298 -0.152 -0.377 344 HG2 GLU 46 1HG GLU 46 10.313 0.720 -1.138 345 HG3 GLU 46 2HG GLU 46 10.373 1.940 0.133 346 H LEU 47 H LEU 47 8.598 3.523 -2.067 347 HA LEU 47 HA LEU 47 7.905 1.862 -4.337 348 HB2 LEU 47 1HB LEU 47 5.855 3.210 -3.685 349 HB3 LEU 47 2HB LEU 47 6.762 4.638 -4.178 350 HG LEU 47 HG LEU 47 7.007 3.286 -6.430 351 HD11 LEU 47 1HD1 LEU 47 5.880 1.373 -6.458 352 HD12 LEU 47 2HD1 LEU 47 4.399 2.328 -6.416 353 HD13 LEU 47 3HD1 LEU 47 5.104 1.730 -4.915 354 HD21 LEU 47 3HD2 LEU 47 5.983 5.455 -6.291 355 HD22 LEU 47 1HD2 LEU 47 4.538 4.773 -5.543 356 HD23 LEU 47 2HD2 LEU 47 4.927 4.391 -7.220 357 H ASN 48 H ASN 48 9.058 2.360 -6.179 358 HA ASN 48 HA ASN 48 10.826 3.138 -7.384 359 HB2 ASN 48 1HB ASN 48 9.703 5.631 -6.157 360 HB3 ASN 48 2HB ASN 48 11.191 5.718 -7.095 361 HD21 ASN 48 1HD2 ASN 48 7.788 4.942 -7.188 362 HD22 ASN 48 2HD2 ASN 48 7.608 5.068 -8.901 363 H GLY 49 H GLY 49 11.255 2.151 -4.623 364 HA2 GLY 49 1HA GLY 49 13.129 1.772 -3.335 365 HA3 GLY 49 2HA GLY 49 14.031 2.803 -4.435 366 H LEU 50 H LEU 50 11.156 3.974 -2.872 367 HA LEU 50 HA LEU 50 12.817 5.547 -1.021 368 HB2 LEU 50 1HB LEU 50 10.326 6.628 -2.293 369 HB3 LEU 50 2HB LEU 50 11.607 7.506 -1.458 370 HG LEU 50 HG LEU 50 11.913 6.175 -4.149 371 HD11 LEU 50 1HD1 LEU 50 11.077 8.916 -3.343 372 HD12 LEU 50 2HD1 LEU 50 10.527 7.916 -4.686 373 HD13 LEU 50 3HD1 LEU 50 12.094 8.720 -4.769 374 HD21 LEU 50 3HD2 LEU 50 13.703 8.190 -2.809 375 HD22 LEU 50 1HD2 LEU 50 14.017 7.259 -4.273 376 HD23 LEU 50 2HD2 LEU 50 13.959 6.446 -2.708 377 H ARG 51 H ARG 51 11.840 6.143 0.956 378 HA ARG 51 HA ARG 51 9.344 4.721 1.596 379 HB2 ARG 51 1HB ARG 51 11.990 4.612 2.958 380 HB3 ARG 51 2HB ARG 51 10.551 4.590 3.970 381 HG2 ARG 51 1HG ARG 51 9.803 2.705 2.297 382 HG3 ARG 51 2HG ARG 51 11.543 2.564 2.038 383 HD2 ARG 51 1HD ARG 51 10.275 2.534 4.767 384 HD3 ARG 51 2HD ARG 51 10.566 1.072 3.824 385 HE ARG 51 HE ARG 51 12.992 2.233 3.862 386 HH11 ARG 51 1HH1 ARG 51 10.693 1.508 6.374 387 HH12 ARG 51 2HH1 ARG 51 11.901 1.285 7.595 388 HH21 ARG 51 1HH2 ARG 51 14.592 1.942 5.463 389 HH22 ARG 51 2HH2 ARG 51 14.118 1.533 7.076 390 H GLY 52 H GLY 52 7.914 6.330 1.841 391 HA2 GLY 52 1HA GLY 52 8.510 8.364 3.868 392 HA3 GLY 52 2HA GLY 52 8.002 8.906 2.276 393 H TRP 53 H TRP 53 6.453 9.791 4.171 394 HA TRP 53 HA TRP 53 4.279 7.929 4.690 395 HB2 TRP 53 1HB TRP 53 3.434 9.530 6.203 396 HB3 TRP 53 2HB TRP 53 5.183 9.625 6.381 397 HD1 TRP 53 HD TRP 53 6.387 11.853 5.531 398 HE1 TRP 53 1HE TRP 53 5.485 14.203 4.995 399 HE3 TRP 53 3HE TRP 53 1.402 10.761 5.236 400 HZ2 TRP 53 2HZ TRP 53 2.992 15.432 4.513 401 HZ3 TRP 53 3HZ TRP 53 -0.176 12.581 4.735 402 HH2 TRP 53 HH TRP 53 0.604 14.868 4.380 403 H PHE 54 H PHE 54 2.015 8.690 4.314 404 HA PHE 54 HA PHE 54 1.430 10.659 2.375 405 HB2 PHE 54 1HB PHE 54 0.862 9.274 0.467 406 HB3 PHE 54 2HB PHE 54 2.550 9.013 0.890 407 HD1 PHE 54 1HD PHE 54 -0.831 7.589 1.532 408 HD2 PHE 54 2HD PHE 54 3.338 6.859 1.078 409 HE1 PHE 54 1HE PHE 54 -1.243 5.167 1.670 410 HE2 PHE 54 2HE PHE 54 2.932 4.437 1.215 411 HZ PHE 54 HZ PHE 54 0.639 3.588 1.510 412 HA PRO 55 HA PRO 55 -2.584 10.031 4.038 413 HB2 PRO 55 1HB PRO 55 -4.128 11.014 2.031 414 HB3 PRO 55 2HB PRO 55 -3.155 12.044 3.088 415 HG2 PRO 55 1HG PRO 55 -2.552 11.061 0.326 416 HG3 PRO 55 2HG PRO 55 -2.309 12.675 1.016 417 HD2 PRO 55 1HD PRO 55 -0.294 10.886 0.748 418 HD3 PRO 55 2HD PRO 55 -0.354 12.065 2.073 419 H ALA 56 H ALA 56 -3.716 8.213 4.243 420 HA ALA 56 HA ALA 56 -3.679 6.154 2.284 421 HB1 ALA 56 3HB ALA 56 -5.459 6.383 4.708 422 HB2 ALA 56 1HB ALA 56 -5.083 4.915 3.804 423 HB3 ALA 56 2HB ALA 56 -3.818 5.738 4.716 424 H LYS 57 H LYS 57 -5.894 8.734 3.046 425 HA LYS 57 HA LYS 57 -8.219 7.772 1.829 426 HB2 LYS 57 1HB LYS 57 -8.988 10.032 1.809 427 HB3 LYS 57 2HB LYS 57 -8.018 9.828 3.261 428 HG2 LYS 57 1HG LYS 57 -6.095 10.751 1.758 429 HG3 LYS 57 2HG LYS 57 -7.429 11.383 0.789 430 HD2 LYS 57 1HD LYS 57 -8.332 12.346 2.974 431 HD3 LYS 57 2HD LYS 57 -6.743 11.986 3.655 432 HE2 LYS 57 1HE LYS 57 -6.615 14.225 2.958 433 HE3 LYS 57 2HE LYS 57 -5.786 13.308 1.702 434 HZ1 LYS 57 3HZ LYS 57 -8.608 13.666 1.235 435 HZ2 LYS 57 1HZ LYS 57 -7.301 13.879 0.182 436 HZ3 LYS 57 2HZ LYS 57 -7.731 15.112 1.256 437 H PHE 58 H PHE 58 -5.267 8.905 0.461 438 HA PHE 58 HA PHE 58 -6.349 9.528 -2.127 439 HB2 PHE 58 1HB PHE 58 -3.644 9.442 -0.896 440 HB3 PHE 58 2HB PHE 58 -3.738 9.283 -2.647 441 HD1 PHE 58 2HD PHE 58 -4.766 11.457 0.177 442 HD2 PHE 58 1HD PHE 58 -3.983 11.162 -3.995 443 HE1 PHE 58 2HE PHE 58 -4.961 13.901 -0.028 444 HE2 PHE 58 1HE PHE 58 -4.175 13.606 -4.208 445 HZ PHE 58 HZ PHE 58 -4.666 14.979 -2.224 446 H VAL 59 H VAL 59 -4.875 6.754 -0.580 447 HA VAL 59 HA VAL 59 -5.155 5.232 -3.086 448 HB VAL 59 HB VAL 59 -3.457 3.773 -2.404 449 HG11 VAL 59 1HG1 VAL 59 -2.308 5.648 -3.095 450 HG12 VAL 59 2HG1 VAL 59 -2.867 6.624 -1.735 451 HG13 VAL 59 3HG1 VAL 59 -1.629 5.391 -1.489 452 HG21 VAL 59 3HG2 VAL 59 -4.016 4.815 0.346 453 HG22 VAL 59 1HG2 VAL 59 -3.970 3.149 -0.232 454 HG23 VAL 59 2HG2 VAL 59 -2.469 4.050 -0.021 455 H GLU 60 H GLU 60 -5.364 2.731 -2.415 456 HA GLU 60 HA GLU 60 -7.459 2.494 -0.370 457 HB2 GLU 60 1HB GLU 60 -8.620 2.657 -2.489 458 HB3 GLU 60 2HB GLU 60 -7.588 1.419 -3.192 459 HG2 GLU 60 1HG GLU 60 -8.499 -0.194 -1.537 460 HG3 GLU 60 2HG GLU 60 -9.622 1.056 -1.006 461 H VAL 61 H VAL 61 -7.191 0.814 0.956 462 HA VAL 61 HA VAL 61 -4.887 -0.766 0.925 463 HB VAL 61 HB VAL 61 -7.500 -1.328 2.335 464 HG11 VAL 61 1HG1 VAL 61 -6.114 -3.313 2.238 465 HG12 VAL 61 2HG1 VAL 61 -4.724 -2.401 2.830 466 HG13 VAL 61 3HG1 VAL 61 -6.120 -2.662 3.877 467 HG21 VAL 61 3HG2 VAL 61 -5.133 0.378 2.992 468 HG22 VAL 61 1HG2 VAL 61 -6.852 0.728 3.165 469 HG23 VAL 61 2HG2 VAL 61 -6.062 -0.378 4.289 470 H LEU 62 H LEU 62 -4.608 -3.024 0.587 471 HA LEU 62 HA LEU 62 -6.654 -4.347 -1.043 472 HB2 LEU 62 1HB LEU 62 -3.814 -4.688 -1.842 473 HB3 LEU 62 2HB LEU 62 -5.281 -4.794 -2.814 474 HG LEU 62 HG LEU 62 -4.365 -2.142 -1.776 475 HD11 LEU 62 1HD1 LEU 62 -3.325 -3.521 -4.247 476 HD12 LEU 62 2HD1 LEU 62 -2.390 -3.092 -2.815 477 HD13 LEU 62 3HD1 LEU 62 -3.072 -1.824 -3.836 478 HD21 LEU 62 3HD2 LEU 62 -5.332 -1.728 -4.239 479 HD22 LEU 62 1HD2 LEU 62 -6.349 -1.766 -2.797 480 HD23 LEU 62 2HD2 LEU 62 -6.220 -3.195 -3.822 481 H ASP 63 H ASP 63 -7.146 -6.173 -0.043 482 HA ASP 63 HA ASP 63 -5.092 -7.534 1.549 483 HB2 ASP 63 1HB ASP 63 -6.867 -8.612 2.731 484 HB3 ASP 63 2HB ASP 63 -7.303 -6.910 2.593 485 H GLU 64 H GLU 64 -4.029 -9.099 0.540 486 HA GLU 64 HA GLU 64 -5.343 -10.576 -1.618 487 HB2 GLU 64 1HB GLU 64 -2.440 -10.496 -0.776 488 HB3 GLU 64 2HB GLU 64 -3.072 -11.393 -2.150 489 HG2 GLU 64 1HG GLU 64 -3.330 -8.414 -1.862 490 HG3 GLU 64 2HG GLU 64 -1.989 -9.202 -2.690 491 H ARG 65 H ARG 65 -3.507 -11.153 1.366 492 HA ARG 65 HA ARG 65 -4.170 -13.982 1.298 493 HB2 ARG 65 1HB ARG 65 -1.954 -13.510 2.020 494 HB3 ARG 65 2HB ARG 65 -2.508 -12.288 3.158 495 HG2 ARG 65 1HG ARG 65 -1.979 -14.098 4.508 496 HG3 ARG 65 2HG ARG 65 -3.731 -14.219 4.327 497 HD2 ARG 65 1HD ARG 65 -3.592 -16.049 2.931 498 HD3 ARG 65 2HD ARG 65 -1.954 -15.657 2.409 499 HE ARG 65 HE ARG 65 -2.698 -17.286 4.624 500 HH11 ARG 65 1HH1 ARG 65 -0.283 -15.055 3.480 501 HH12 ARG 65 2HH1 ARG 65 0.977 -15.706 4.475 502 HH21 ARG 65 1HH2 ARG 65 -1.048 -18.152 5.939 503 HH22 ARG 65 2HH2 ARG 65 0.542 -17.469 5.872 504 H SER 66 H SER 66 -6.351 -14.148 1.660 505 HA SER 66 HA SER 66 -7.240 -14.032 4.350 506 HB2 SER 66 1HB SER 66 -7.457 -11.660 3.998 507 HB3 SER 66 2HB SER 66 -8.284 -11.911 2.461 508 HG SER 66 HG SER 66 -9.979 -12.925 3.676 509 H LYS 67 H LYS 67 -8.191 -15.965 4.296 510 HA LYS 67 HA LYS 67 -9.218 -17.429 2.307 511 HB2 LYS 67 1HB LYS 67 -9.168 -18.204 4.623 512 HB3 LYS 67 2HB LYS 67 -10.480 -17.108 5.037 513 HG2 LYS 67 1HG LYS 67 -11.539 -19.155 4.810 514 HG3 LYS 67 2HG LYS 67 -11.824 -18.378 3.252 515 HD2 LYS 67 1HD LYS 67 -11.167 -20.524 2.652 516 HD3 LYS 67 2HD LYS 67 -9.670 -19.600 2.510 517 HE2 LYS 67 1HE LYS 67 -10.344 -20.958 5.085 518 HE3 LYS 67 2HE LYS 67 -9.685 -21.898 3.747 519 HZ1 LYS 67 3HZ LYS 67 -7.733 -21.273 4.621 520 HZ2 LYS 67 1HZ LYS 67 -8.388 -19.955 5.454 521 HZ3 LYS 67 2HZ LYS 67 -8.008 -19.814 3.813 522 H GLU 68 H GLU 68 -10.356 -16.645 0.633 523 HA GLU 68 HA GLU 68 -13.018 -15.570 1.201 524 HB2 GLU 68 1HB GLU 68 -11.359 -13.698 0.750 525 HB3 GLU 68 2HB GLU 68 -11.231 -14.328 -0.887 526 HG2 GLU 68 1HG GLU 68 -13.442 -13.781 -1.397 527 HG3 GLU 68 2HG GLU 68 -13.879 -13.587 0.299 528 H TYR 69 H TYR 69 -14.543 -15.880 -0.476 529 HA TYR 69 HA TYR 69 -13.717 -17.882 -2.474 530 HB2 TYR 69 1HB TYR 69 -16.273 -17.600 -0.907 531 HB3 TYR 69 2HB TYR 69 -16.194 -18.553 -2.384 532 HD1 TYR 69 2HD TYR 69 -14.018 -18.175 0.642 533 HD2 TYR 69 1HD TYR 69 -16.100 -20.813 -1.969 534 HE1 TYR 69 2HE TYR 69 -13.191 -20.097 1.934 535 HE2 TYR 69 1HE TYR 69 -15.279 -22.742 -0.683 536 HH TYR 69 HH TYR 69 -12.814 -22.458 1.684 537 H SER 70 H SER 70 -13.369 -16.624 -4.240 538 HA SER 70 HA SER 70 -15.254 -14.551 -4.978 539 HB2 SER 70 1HB SER 70 -13.716 -14.087 -6.821 540 HB3 SER 70 2HB SER 70 -12.823 -14.216 -5.305 541 HG SER 70 HG SER 70 -12.925 -15.999 -7.474 542 H ILE 71 H ILE 71 -14.405 -17.805 -5.947 543 HA ILE 71 HA ILE 71 -15.704 -17.913 -8.421 544 HB ILE 71 HB ILE 71 -15.335 -20.123 -6.396 545 HG12 ILE 71 1HG1 ILE 71 -13.701 -19.790 -8.881 546 HG13 ILE 71 2HG1 ILE 71 -13.331 -18.792 -7.478 547 HG21 ILE 71 1HG2 ILE 71 -17.098 -20.554 -8.107 548 HG22 ILE 71 2HG2 ILE 71 -15.863 -20.373 -9.351 549 HG23 ILE 71 3HG2 ILE 71 -15.740 -21.677 -8.170 550 HD11 ILE 71 3HD1 ILE 71 -12.981 -21.699 -7.888 551 HD12 ILE 71 1HD1 ILE 71 -11.949 -20.532 -7.059 552 HD13 ILE 71 2HD1 ILE 71 -13.401 -21.147 -6.266 553 H ALA 72 H ALA 72 -16.927 -19.095 -5.282 554 HA ALA 72 HA ALA 72 -19.601 -19.357 -6.282 555 HB1 ALA 72 3HB ALA 72 -18.161 -20.249 -4.019 556 HB2 ALA 72 1HB ALA 72 -19.557 -19.345 -3.435 557 HB3 ALA 72 2HB ALA 72 -19.785 -20.707 -4.532 558 H SER 73 H SER 73 -19.930 -17.176 -7.049 559 HA SER 73 HA SER 73 -21.103 -15.496 -4.997 560 HB2 SER 73 1HB SER 73 -18.740 -14.734 -5.129 561 HB3 SER 73 2HB SER 73 -18.972 -14.391 -6.843 562 HG SER 73 HG SER 73 -19.850 -13.002 -4.617 563 H GLY 74 H GLY 74 -22.940 -14.611 -5.710 564 HA2 GLY 74 1HA GLY 74 -23.461 -14.719 -8.610 565 HA3 GLY 74 2HA GLY 74 -24.694 -14.791 -7.361 566 HA PRO 75 HA PRO 75 -23.147 -10.197 -7.805 567 HB2 PRO 75 1HB PRO 75 -22.053 -9.622 -10.222 568 HB3 PRO 75 2HB PRO 75 -21.091 -10.133 -8.829 569 HG2 PRO 75 1HG PRO 75 -22.059 -11.746 -11.159 570 HG3 PRO 75 2HG PRO 75 -20.470 -11.759 -10.371 571 HD2 PRO 75 1HD PRO 75 -22.355 -13.640 -9.881 572 HD3 PRO 75 2HD PRO 75 -21.196 -13.104 -8.646 573 H SER 76 H SER 76 -25.014 -12.201 -9.635 574 HA SER 76 HA SER 76 -26.694 -11.919 -11.191 575 HB2 SER 76 1HB SER 76 -27.173 -9.969 -8.964 576 HB3 SER 76 2HB SER 76 -28.291 -10.025 -10.325 577 HG SER 76 HG SER 76 -27.563 -12.429 -9.093 578 H SER 77 H SER 77 -24.608 -10.947 -12.451 579 HA SER 77 HA SER 77 -25.051 -8.182 -13.222 580 HB2 SER 77 1HB SER 77 -22.745 -9.139 -12.912 581 HB3 SER 77 2HB SER 77 -23.027 -10.134 -14.341 582 HG SER 77 HG SER 77 -21.968 -8.253 -14.951 583 H GLY 78 H GLY 78 -24.899 -11.340 -14.878 584 HA2 GLY 78 1HA GLY 78 -27.012 -11.631 -16.319 585 HA3 GLY 78 2HA GLY 78 -26.442 -10.160 -17.092 Start of MODEL 3 1 H1 GLY 1 H GLY 1 15.864 -8.385 3.949 2 HA2 GLY 1 1HA GLY 1 14.129 -8.766 6.137 3 HA3 GLY 1 2HA GLY 1 13.883 -7.624 4.823 4 H SER 2 H SER 2 13.455 -11.007 5.762 5 HA SER 2 HA SER 2 11.805 -11.691 3.552 6 HB2 SER 2 1HB SER 2 11.464 -13.767 4.636 7 HB3 SER 2 2HB SER 2 13.093 -13.277 5.102 8 HG SER 2 HG SER 2 12.374 -13.550 7.058 9 H SER 3 H SER 3 9.581 -11.867 3.399 10 HA SER 3 HA SER 3 8.089 -10.003 5.012 11 HB2 SER 3 1HB SER 3 7.204 -11.825 2.761 12 HB3 SER 3 2HB SER 3 6.208 -10.571 3.502 13 HG SER 3 HG SER 3 7.895 -10.298 1.508 14 H GLY 4 H GLY 4 6.847 -10.445 6.717 15 HA2 GLY 4 1HA GLY 4 5.809 -13.158 7.087 16 HA3 GLY 4 2HA GLY 4 6.853 -12.510 8.343 17 H SER 5 H SER 5 6.162 -10.340 9.226 18 HA SER 5 HA SER 5 3.298 -10.478 9.783 19 HB2 SER 5 1HB SER 5 5.198 -10.290 11.564 20 HB3 SER 5 2HB SER 5 5.187 -8.577 11.138 21 HG SER 5 HG SER 5 2.730 -8.997 11.471 22 H SER 6 H SER 6 5.706 -7.946 9.059 23 HA SER 6 HA SER 6 3.598 -6.128 8.242 24 HB2 SER 6 1HB SER 6 6.587 -5.865 8.531 25 HB3 SER 6 2HB SER 6 5.617 -4.603 7.773 26 HG SER 6 HG SER 6 5.702 -4.071 9.896 27 H GLY 7 H GLY 7 2.761 -6.332 6.274 28 HA2 GLY 7 1HA GLY 7 4.334 -6.074 3.936 29 HA3 GLY 7 2HA GLY 7 3.866 -7.756 4.147 30 H ARG 8 H ARG 8 2.696 -4.495 3.609 31 HA ARG 8 HA ARG 8 0.184 -5.647 2.592 32 HB2 ARG 8 1HB ARG 8 0.620 -3.313 4.404 33 HB3 ARG 8 2HB ARG 8 -0.715 -3.256 3.261 34 HG2 ARG 8 1HG ARG 8 -1.596 -5.343 4.196 35 HG3 ARG 8 2HG ARG 8 -0.267 -5.372 5.358 36 HD2 ARG 8 1HD ARG 8 -1.033 -3.215 6.258 37 HD3 ARG 8 2HD ARG 8 -2.381 -3.234 5.120 38 HE ARG 8 HE ARG 8 -2.211 -4.636 7.593 39 HH11 ARG 8 1HH1 ARG 8 -3.511 -4.811 4.369 40 HH12 ARG 8 2HH1 ARG 8 -4.825 -5.848 4.814 41 HH21 ARG 8 1HH2 ARG 8 -3.938 -6.001 8.193 42 HH22 ARG 8 2HH2 ARG 8 -5.068 -6.522 6.990 43 H ARG 9 H ARG 9 -0.907 -4.261 0.975 44 HA ARG 9 HA ARG 9 0.866 -2.422 -0.447 45 HB2 ARG 9 1HB ARG 9 -0.512 -4.750 -1.798 46 HB3 ARG 9 2HB ARG 9 0.460 -3.517 -2.590 47 HG2 ARG 9 1HG ARG 9 2.393 -4.292 -1.176 48 HG3 ARG 9 2HG ARG 9 1.382 -5.655 -0.692 49 HD2 ARG 9 1HD ARG 9 1.071 -6.026 -3.229 50 HD3 ARG 9 2HD ARG 9 2.486 -4.986 -3.396 51 HE ARG 9 HE ARG 9 3.028 -7.021 -1.528 52 HH11 ARG 9 1HH1 ARG 9 2.551 -6.544 -4.944 53 HH12 ARG 9 2HH1 ARG 9 3.548 -7.885 -5.403 54 HH21 ARG 9 1HH2 ARG 9 4.342 -8.789 -2.120 55 HH22 ARG 9 2HH2 ARG 9 4.565 -9.162 -3.797 56 H ALA 10 H ALA 10 -0.185 -0.679 -1.168 57 HA ALA 10 HA ALA 10 -3.127 -0.797 -1.296 58 HB1 ALA 10 3HB ALA 10 -2.783 1.793 -0.904 59 HB2 ALA 10 1HB ALA 10 -2.839 0.653 0.441 60 HB3 ALA 10 2HB ALA 10 -1.285 1.238 -0.159 61 H LYS 11 H LYS 11 -4.174 0.329 -2.955 62 HA LYS 11 HA LYS 11 -2.478 0.853 -5.289 63 HB2 LYS 11 1HB LYS 11 -4.325 -0.823 -5.472 64 HB3 LYS 11 2HB LYS 11 -5.474 0.478 -5.186 65 HG2 LYS 11 1HG LYS 11 -3.517 0.782 -7.401 66 HG3 LYS 11 2HG LYS 11 -4.878 -0.321 -7.617 67 HD2 LYS 11 1HD LYS 11 -5.341 2.456 -6.600 68 HD3 LYS 11 2HD LYS 11 -5.115 2.170 -8.328 69 HE2 LYS 11 1HE LYS 11 -7.110 0.627 -6.695 70 HE3 LYS 11 2HE LYS 11 -7.507 2.175 -7.438 71 HZ1 LYS 11 3HZ LYS 11 -8.030 0.978 -9.224 72 HZ2 LYS 11 1HZ LYS 11 -7.264 -0.414 -8.642 73 HZ3 LYS 11 2HZ LYS 11 -6.369 0.765 -9.461 74 H ALA 12 H ALA 12 -2.155 2.862 -5.978 75 HA ALA 12 HA ALA 12 -3.260 5.100 -4.628 76 HB1 ALA 12 3HB ALA 12 -1.076 5.335 -5.506 77 HB2 ALA 12 1HB ALA 12 -1.595 4.852 -7.121 78 HB3 ALA 12 2HB ALA 12 -2.107 6.404 -6.457 79 H LEU 13 H LEU 13 -5.285 5.773 -4.854 80 HA LEU 13 HA LEU 13 -6.912 5.116 -7.097 81 HB2 LEU 13 1HB LEU 13 -7.414 7.173 -4.952 82 HB3 LEU 13 2HB LEU 13 -8.616 6.460 -6.024 83 HG LEU 13 HG LEU 13 -7.061 4.936 -3.936 84 HD11 LEU 13 1HD1 LEU 13 -8.481 6.436 -2.774 85 HD12 LEU 13 2HD1 LEU 13 -9.292 4.871 -2.779 86 HD13 LEU 13 3HD1 LEU 13 -9.819 6.140 -3.886 87 HD21 LEU 13 3HD2 LEU 13 -8.781 3.208 -4.359 88 HD22 LEU 13 1HD2 LEU 13 -7.757 3.522 -5.759 89 HD23 LEU 13 2HD2 LEU 13 -9.391 4.184 -5.696 90 H LEU 14 H LEU 14 -4.852 7.779 -6.297 91 HA LEU 14 HA LEU 14 -5.368 8.954 -8.910 92 HB2 LEU 14 1HB LEU 14 -5.595 11.214 -7.985 93 HB3 LEU 14 2HB LEU 14 -6.915 10.151 -7.503 94 HG LEU 14 HG LEU 14 -4.615 10.500 -5.641 95 HD11 LEU 14 1HD1 LEU 14 -5.964 12.446 -4.663 96 HD12 LEU 14 2HD1 LEU 14 -6.694 12.567 -6.263 97 HD13 LEU 14 3HD1 LEU 14 -4.952 12.765 -6.072 98 HD21 LEU 14 3HD2 LEU 14 -7.585 10.087 -5.339 99 HD22 LEU 14 1HD2 LEU 14 -6.469 10.318 -3.992 100 HD23 LEU 14 2HD2 LEU 14 -6.306 8.910 -5.042 101 H ASP 15 H ASP 15 -3.842 11.037 -9.049 102 HA ASP 15 HA ASP 15 -1.177 10.013 -8.506 103 HB2 ASP 15 1HB ASP 15 -1.163 10.824 -10.651 104 HB3 ASP 15 2HB ASP 15 -2.343 12.083 -10.298 105 H PHE 16 H PHE 16 0.247 10.841 -7.078 106 HA PHE 16 HA PHE 16 -0.563 13.247 -5.584 107 HB2 PHE 16 1HB PHE 16 -0.880 11.210 -4.229 108 HB3 PHE 16 2HB PHE 16 0.814 10.796 -4.468 109 HD1 PHE 16 1HD PHE 16 -1.286 13.615 -3.223 110 HD2 PHE 16 2HD PHE 16 2.322 11.388 -2.840 111 HE1 PHE 16 1HE PHE 16 -0.688 14.932 -1.232 112 HE2 PHE 16 2HE PHE 16 2.925 12.700 -0.848 113 HZ PHE 16 HZ PHE 16 1.418 14.474 -0.041 114 H GLU 17 H GLU 17 0.921 14.813 -5.405 115 HA GLU 17 HA GLU 17 3.615 14.252 -6.438 116 HB2 GLU 17 1HB GLU 17 3.723 16.767 -6.721 117 HB3 GLU 17 2HB GLU 17 2.586 15.923 -7.763 118 HG2 GLU 17 1HG GLU 17 0.746 16.575 -6.323 119 HG3 GLU 17 2HG GLU 17 1.870 17.369 -5.221 120 H ARG 18 H ARG 18 4.482 13.478 -4.489 121 HA ARG 18 HA ARG 18 4.350 14.301 -1.959 122 HB2 ARG 18 1HB ARG 18 6.530 13.513 -1.588 123 HB3 ARG 18 2HB ARG 18 5.983 12.628 -3.005 124 HG2 ARG 18 1HG ARG 18 7.177 14.342 -4.404 125 HG3 ARG 18 2HG ARG 18 7.881 14.954 -2.907 126 HD2 ARG 18 1HD ARG 18 8.875 12.778 -2.464 127 HD3 ARG 18 2HD ARG 18 8.129 12.126 -3.924 128 HE ARG 18 HE ARG 18 9.676 14.335 -4.650 129 HH11 ARG 18 1HH1 ARG 18 10.095 11.125 -3.371 130 HH12 ARG 18 2HH1 ARG 18 11.668 10.913 -4.065 131 HH21 ARG 18 1HH2 ARG 18 11.746 14.067 -5.570 132 HH22 ARG 18 2HH2 ARG 18 12.607 12.587 -5.314 133 H HIS 19 H HIS 19 4.755 16.048 -0.735 134 HA HIS 19 HA HIS 19 5.307 18.545 -2.000 135 HB2 HIS 19 1HB HIS 19 4.749 17.645 0.792 136 HB3 HIS 19 2HB HIS 19 5.451 19.242 0.549 137 HD1 HIS 19 1HD HIS 19 3.396 20.570 1.212 138 HD2 HIS 19 2HD HIS 19 2.661 17.831 -1.825 139 HE1 HIS 19 1HE HIS 19 1.096 21.117 0.353 140 HE2 HIS 19 2HE HIS 19 0.640 19.394 -1.426 141 H ASP 20 H ASP 20 7.103 16.508 0.291 142 HA ASP 20 HA ASP 20 9.561 17.886 -0.558 143 HB2 ASP 20 1HB ASP 20 8.590 18.369 1.852 144 HB3 ASP 20 2HB ASP 20 9.348 16.824 2.227 145 H ASP 21 H ASP 21 11.548 16.580 -0.048 146 HA ASP 21 HA ASP 21 11.594 14.192 -1.360 147 HB2 ASP 21 1HB ASP 21 13.359 14.981 0.967 148 HB3 ASP 21 2HB ASP 21 13.722 13.716 -0.205 149 H ASP 22 H ASP 22 10.898 14.728 2.048 150 HA ASP 22 HA ASP 22 10.942 12.058 2.902 151 HB2 ASP 22 1HB ASP 22 9.120 14.210 3.982 152 HB3 ASP 22 2HB ASP 22 9.741 12.801 4.838 153 H GLU 23 H GLU 23 8.246 14.052 1.723 154 HA GLU 23 HA GLU 23 6.228 12.138 1.985 155 HB2 GLU 23 1HB GLU 23 6.577 14.523 0.192 156 HB3 GLU 23 2HB GLU 23 5.171 13.479 0.032 157 HG2 GLU 23 1HG GLU 23 5.857 14.526 2.727 158 HG3 GLU 23 2HG GLU 23 5.130 15.621 1.552 159 H LEU 24 H LEU 24 5.284 10.697 0.518 160 HA LEU 24 HA LEU 24 7.135 9.722 -1.541 161 HB2 LEU 24 1HB LEU 24 6.415 8.174 0.264 162 HB3 LEU 24 2HB LEU 24 4.759 8.329 -0.316 163 HG LEU 24 HG LEU 24 5.495 7.346 -2.484 164 HD11 LEU 24 1HD1 LEU 24 7.701 7.458 -2.856 165 HD12 LEU 24 2HD1 LEU 24 7.769 5.970 -1.913 166 HD13 LEU 24 3HD1 LEU 24 8.091 7.521 -1.137 167 HD21 LEU 24 3HD2 LEU 24 4.834 6.106 -0.130 168 HD22 LEU 24 1HD2 LEU 24 6.308 5.265 -0.608 169 HD23 LEU 24 2HD2 LEU 24 4.933 5.326 -1.709 170 H GLY 25 H GLY 25 6.713 10.340 -3.550 171 HA2 GLY 25 1HA GLY 25 3.981 11.089 -4.284 172 HA3 GLY 25 2HA GLY 25 5.434 11.439 -5.208 173 H PHE 26 H PHE 26 2.678 9.720 -5.283 174 HA PHE 26 HA PHE 26 3.876 7.619 -6.964 175 HB2 PHE 26 1HB PHE 26 1.670 6.361 -6.323 176 HB3 PHE 26 2HB PHE 26 3.036 6.359 -5.211 177 HD1 PHE 26 2HD PHE 26 2.967 7.634 -3.152 178 HD2 PHE 26 1HD PHE 26 -0.343 7.588 -5.828 179 HE1 PHE 26 2HE PHE 26 1.531 8.569 -1.385 180 HE2 PHE 26 1HE PHE 26 -1.784 8.525 -4.066 181 HZ PHE 26 HZ PHE 26 -0.847 9.016 -1.842 182 H ARG 27 H ARG 27 2.237 6.704 -8.554 183 HA ARG 27 HA ARG 27 0.714 8.942 -9.715 184 HB2 ARG 27 1HB ARG 27 2.196 6.648 -10.975 185 HB3 ARG 27 2HB ARG 27 0.957 7.527 -11.860 186 HG2 ARG 27 1HG ARG 27 3.240 8.963 -10.559 187 HG3 ARG 27 2HG ARG 27 3.403 8.228 -12.156 188 HD2 ARG 27 1HD ARG 27 1.190 10.145 -11.473 189 HD3 ARG 27 2HD ARG 27 2.754 10.684 -12.082 190 HE ARG 27 HE ARG 27 1.825 8.742 -13.831 191 HH11 ARG 27 1HH1 ARG 27 0.877 11.906 -12.733 192 HH12 ARG 27 2HH1 ARG 27 0.086 12.326 -14.216 193 HH21 ARG 27 1HH2 ARG 27 0.788 9.282 -15.789 194 HH22 ARG 27 2HH2 ARG 27 0.035 10.833 -15.953 195 H LYS 28 H LYS 28 -1.284 8.450 -10.791 196 HA LYS 28 HA LYS 28 -3.058 6.924 -9.318 197 HB2 LYS 28 1HB LYS 28 -3.679 8.715 -10.931 198 HB3 LYS 28 2HB LYS 28 -3.312 7.612 -12.252 199 HG2 LYS 28 1HG LYS 28 -5.047 6.064 -11.316 200 HG3 LYS 28 2HG LYS 28 -5.499 7.359 -10.204 201 HD2 LYS 28 1HD LYS 28 -5.906 8.826 -12.168 202 HD3 LYS 28 2HD LYS 28 -5.584 7.446 -13.220 203 HE2 LYS 28 1HE LYS 28 -7.643 7.239 -11.060 204 HE3 LYS 28 2HE LYS 28 -8.036 8.046 -12.577 205 HZ1 LYS 28 3HZ LYS 28 -7.138 5.932 -13.660 206 HZ2 LYS 28 1HZ LYS 28 -8.659 5.853 -12.923 207 HZ3 LYS 28 2HZ LYS 28 -7.304 5.222 -12.132 208 H ASN 29 H ASN 29 -3.859 4.870 -9.433 209 HA ASN 29 HA ASN 29 -3.946 2.645 -9.900 210 HB2 ASN 29 1HB ASN 29 -2.797 3.292 -12.616 211 HB3 ASN 29 2HB ASN 29 -3.828 1.936 -12.171 212 HD21 ASN 29 1HD2 ASN 29 -4.114 4.078 -14.198 213 HD22 ASN 29 2HD2 ASN 29 -5.654 4.795 -13.881 214 H ASP 30 H ASP 30 -1.739 3.510 -8.505 215 HA ASP 30 HA ASP 30 0.391 1.761 -9.549 216 HB2 ASP 30 1HB ASP 30 0.623 4.354 -8.017 217 HB3 ASP 30 2HB ASP 30 1.968 3.234 -8.217 218 H ILE 31 H ILE 31 1.155 0.208 -8.227 219 HA ILE 31 HA ILE 31 -0.200 -0.157 -5.676 220 HB ILE 31 HB ILE 31 1.708 -1.998 -7.124 221 HG12 ILE 31 1HG1 ILE 31 -0.341 -1.664 -8.399 222 HG13 ILE 31 2HG1 ILE 31 -0.334 -3.277 -7.692 223 HG21 ILE 31 1HG2 ILE 31 0.018 -3.403 -5.363 224 HG22 ILE 31 2HG2 ILE 31 1.763 -3.179 -5.248 225 HG23 ILE 31 3HG2 ILE 31 0.676 -2.037 -4.461 226 HD11 ILE 31 3HD1 ILE 31 -1.685 -2.136 -5.781 227 HD12 ILE 31 1HD1 ILE 31 -2.016 -0.917 -7.012 228 HD13 ILE 31 2HD1 ILE 31 -2.482 -2.596 -7.286 229 H ILE 32 H ILE 32 0.676 0.432 -3.813 230 HA ILE 32 HA ILE 32 3.611 0.679 -3.654 231 HB ILE 32 HB ILE 32 1.563 2.306 -2.143 232 HG12 ILE 32 1HG1 ILE 32 3.492 3.457 -4.117 233 HG13 ILE 32 2HG1 ILE 32 2.032 2.675 -4.715 234 HG21 ILE 32 1HG2 ILE 32 3.791 1.776 -1.029 235 HG22 ILE 32 2HG2 ILE 32 4.524 2.787 -2.274 236 HG23 ILE 32 3HG2 ILE 32 3.345 3.476 -1.159 237 HD11 ILE 32 3HD1 ILE 32 2.355 5.198 -3.198 238 HD12 ILE 32 1HD1 ILE 32 1.290 4.812 -4.549 239 HD13 ILE 32 2HD1 ILE 32 0.895 4.247 -2.926 240 H THR 33 H THR 33 4.615 -0.470 -2.130 241 HA THR 33 HA THR 33 3.111 -2.272 -0.480 242 HB THR 33 HB THR 33 6.078 -1.734 -0.681 243 HG1 THR 33 1HG THR 33 4.769 -2.879 -2.396 244 HG21 THR 33 3HG2 THR 33 6.426 -2.920 1.172 245 HG22 THR 33 1HG2 THR 33 5.463 -4.251 0.529 246 HG23 THR 33 2HG2 THR 33 4.685 -2.963 1.448 247 H ILE 34 H ILE 34 2.197 -1.676 1.366 248 HA ILE 34 HA ILE 34 3.006 0.672 2.796 249 HB ILE 34 HB ILE 34 1.104 -1.469 3.744 250 HG12 ILE 34 1HG1 ILE 34 0.625 0.925 1.964 251 HG13 ILE 34 2HG1 ILE 34 0.327 -0.768 1.584 252 HG21 ILE 34 1HG2 ILE 34 0.683 1.363 4.414 253 HG22 ILE 34 2HG2 ILE 34 0.516 -0.080 5.413 254 HG23 ILE 34 3HG2 ILE 34 2.111 0.617 5.133 255 HD11 ILE 34 3HD1 ILE 34 -1.256 1.117 3.240 256 HD12 ILE 34 1HD1 ILE 34 -1.788 -0.069 2.048 257 HD13 ILE 34 2HD1 ILE 34 -1.284 -0.598 3.652 258 H ILE 35 H ILE 35 4.812 0.684 3.964 259 HA ILE 35 HA ILE 35 5.865 -1.715 5.164 260 HB ILE 35 HB ILE 35 6.840 1.124 5.483 261 HG12 ILE 35 1HG1 ILE 35 6.721 0.246 3.102 262 HG13 ILE 35 2HG1 ILE 35 8.314 0.758 3.652 263 HG21 ILE 35 1HG2 ILE 35 8.087 0.141 7.067 264 HG22 ILE 35 2HG2 ILE 35 7.752 -1.481 6.465 265 HG23 ILE 35 3HG2 ILE 35 9.008 -0.502 5.709 266 HD11 ILE 35 3HD1 ILE 35 9.091 -1.207 3.014 267 HD12 ILE 35 1HD1 ILE 35 8.123 -1.962 4.278 268 HD13 ILE 35 2HD1 ILE 35 7.465 -1.783 2.651 269 H SER 36 H SER 36 4.853 1.458 6.447 270 HA SER 36 HA SER 36 3.933 0.101 8.880 271 HB2 SER 36 1HB SER 36 6.289 1.311 8.993 272 HB3 SER 36 2HB SER 36 5.285 2.748 9.178 273 HG SER 36 HG SER 36 5.587 2.004 11.211 274 H GLN 37 H GLN 37 2.530 1.540 10.225 275 HA GLN 37 HA GLN 37 1.057 3.462 8.548 276 HB2 GLN 37 1HB GLN 37 0.032 1.215 10.246 277 HB3 GLN 37 2HB GLN 37 -0.961 2.647 10.002 278 HG2 GLN 37 1HG GLN 37 -0.975 2.308 7.629 279 HG3 GLN 37 2HG GLN 37 0.176 0.981 7.772 280 HE21 GLN 37 1HE2 GLN 37 -2.129 0.553 6.446 281 HE22 GLN 37 2HE2 GLN 37 -3.177 -0.465 7.365 282 H LYS 38 H LYS 38 2.500 4.999 9.657 283 HA LYS 38 HA LYS 38 2.862 5.543 12.249 284 HB2 LYS 38 1HB LYS 38 2.001 7.562 10.170 285 HB3 LYS 38 2HB LYS 38 2.744 7.966 11.712 286 HG2 LYS 38 1HG LYS 38 4.611 6.312 10.830 287 HG3 LYS 38 2HG LYS 38 3.949 6.798 9.267 288 HD2 LYS 38 1HD LYS 38 5.641 8.354 9.651 289 HD3 LYS 38 2HD LYS 38 4.181 9.203 10.160 290 HE2 LYS 38 1HE LYS 38 4.761 8.212 12.500 291 HE3 LYS 38 2HE LYS 38 6.377 8.039 11.818 292 HZ1 LYS 38 3HZ LYS 38 6.580 10.125 12.613 293 HZ2 LYS 38 1HZ LYS 38 4.918 10.446 12.551 294 HZ3 LYS 38 2HZ LYS 38 5.852 10.544 11.144 295 H ASP 39 H ASP 39 -0.152 6.149 10.498 296 HA ASP 39 HA ASP 39 -1.700 5.863 12.883 297 HB2 ASP 39 1HB ASP 39 -0.732 8.327 12.766 298 HB3 ASP 39 2HB ASP 39 -2.070 8.554 11.643 299 H GLU 40 H GLU 40 -4.088 6.557 12.354 300 HA GLU 40 HA GLU 40 -4.862 5.038 10.079 301 HB2 GLU 40 1HB GLU 40 -6.309 6.630 12.158 302 HB3 GLU 40 2HB GLU 40 -7.176 6.112 10.719 303 HG2 GLU 40 1HG GLU 40 -7.425 4.582 12.646 304 HG3 GLU 40 2HG GLU 40 -6.759 3.813 11.205 305 H HIS 41 H HIS 41 -3.762 8.160 10.342 306 HA HIS 41 HA HIS 41 -5.225 9.010 7.930 307 HB2 HIS 41 1HB HIS 41 -3.829 10.835 9.888 308 HB3 HIS 41 2HB HIS 41 -4.940 11.290 8.601 309 HD1 HIS 41 1HD HIS 41 -7.056 12.049 9.605 310 HD2 HIS 41 2HD HIS 41 -5.442 8.830 11.677 311 HE1 HIS 41 1HE HIS 41 -8.705 11.529 11.432 312 HE2 HIS 41 2HE HIS 41 -7.667 9.633 12.724 313 H CYS 42 H CYS 42 -2.110 8.568 9.426 314 HA CYS 42 HA CYS 42 -0.816 9.367 6.901 315 HB2 CYS 42 1HB CYS 42 1.255 9.445 8.577 316 HB3 CYS 42 2HB CYS 42 0.185 10.823 8.355 317 HG CYS 42 HG CYS 42 -0.990 10.775 10.717 318 H TRP 43 H TRP 43 -0.130 7.699 5.750 319 HA TRP 43 HA TRP 43 0.709 5.257 7.170 320 HB2 TRP 43 1HB TRP 43 -0.676 5.658 4.533 321 HB3 TRP 43 2HB TRP 43 0.231 4.184 4.858 322 HD1 TRP 43 HD TRP 43 -1.199 5.096 8.058 323 HE1 TRP 43 1HE TRP 43 -3.395 3.834 8.512 324 HE3 TRP 43 3HE TRP 43 -2.148 3.392 3.333 325 HZ2 TRP 43 2HZ TRP 43 -5.280 2.316 7.058 326 HZ3 TRP 43 3HZ TRP 43 -4.168 2.041 2.949 327 HH2 TRP 43 HH TRP 43 -5.700 1.515 4.775 328 H VAL 44 H VAL 44 2.422 3.996 6.132 329 HA VAL 44 HA VAL 44 4.269 5.673 4.561 330 HB VAL 44 HB VAL 44 4.918 3.874 6.894 331 HG11 VAL 44 1HG1 VAL 44 6.557 4.636 4.577 332 HG12 VAL 44 2HG1 VAL 44 7.313 4.897 6.150 333 HG13 VAL 44 3HG1 VAL 44 6.736 3.291 5.704 334 HG21 VAL 44 3HG2 VAL 44 5.233 5.749 8.067 335 HG22 VAL 44 1HG2 VAL 44 6.139 6.511 6.759 336 HG23 VAL 44 2HG2 VAL 44 4.376 6.576 6.766 337 H GLY 45 H GLY 45 4.697 4.806 2.647 338 HA2 GLY 45 1HA GLY 45 4.641 1.859 2.408 339 HA3 GLY 45 2HA GLY 45 4.028 2.928 1.155 340 H GLU 46 H GLU 46 5.686 1.298 0.117 341 HA GLU 46 HA GLU 46 8.213 2.782 -0.122 342 HB2 GLU 46 1HB GLU 46 8.292 0.547 1.218 343 HB3 GLU 46 2HB GLU 46 8.161 -0.207 -0.364 344 HG2 GLU 46 1HG GLU 46 10.220 0.610 -1.065 345 HG3 GLU 46 2HG GLU 46 10.258 1.855 0.184 346 H LEU 47 H LEU 47 8.587 3.405 -2.138 347 HA LEU 47 HA LEU 47 7.940 1.696 -4.380 348 HB2 LEU 47 1HB LEU 47 5.868 3.057 -3.811 349 HB3 LEU 47 2HB LEU 47 6.783 4.470 -4.333 350 HG LEU 47 HG LEU 47 7.080 3.038 -6.531 351 HD11 LEU 47 1HD1 LEU 47 5.158 1.527 -5.006 352 HD12 LEU 47 2HD1 LEU 47 5.941 1.133 -6.537 353 HD13 LEU 47 3HD1 LEU 47 4.461 2.092 -6.524 354 HD21 LEU 47 3HD2 LEU 47 4.360 4.124 -6.392 355 HD22 LEU 47 1HD2 LEU 47 5.705 4.555 -7.448 356 HD23 LEU 47 2HD2 LEU 47 5.619 5.216 -5.814 357 H ASN 48 H ASN 48 9.120 2.170 -6.219 358 HA ASN 48 HA ASN 48 10.907 2.930 -7.405 359 HB2 ASN 48 1HB ASN 48 9.920 5.495 -6.159 360 HB3 ASN 48 2HB ASN 48 11.271 5.460 -7.288 361 HD21 ASN 48 1HD2 ASN 48 7.854 4.848 -6.896 362 HD22 ASN 48 2HD2 ASN 48 7.452 4.920 -8.575 363 H GLY 49 H GLY 49 11.342 1.897 -4.706 364 HA2 GLY 49 1HA GLY 49 13.162 1.552 -3.344 365 HA3 GLY 49 2HA GLY 49 14.097 2.541 -4.456 366 H LEU 50 H LEU 50 11.232 3.836 -2.994 367 HA LEU 50 HA LEU 50 12.908 5.434 -1.172 368 HB2 LEU 50 1HB LEU 50 10.423 6.408 -2.562 369 HB3 LEU 50 2HB LEU 50 11.550 7.354 -1.592 370 HG LEU 50 HG LEU 50 12.234 6.085 -4.243 371 HD11 LEU 50 1HD1 LEU 50 12.123 8.983 -4.145 372 HD12 LEU 50 2HD1 LEU 50 10.554 8.237 -3.837 373 HD13 LEU 50 3HD1 LEU 50 11.435 7.862 -5.318 374 HD21 LEU 50 3HD2 LEU 50 13.728 8.333 -2.987 375 HD22 LEU 50 1HD2 LEU 50 14.294 7.072 -4.084 376 HD23 LEU 50 2HD2 LEU 50 13.995 6.696 -2.386 377 H ARG 51 H ARG 51 11.708 6.359 0.677 378 HA ARG 51 HA ARG 51 9.295 4.889 1.423 379 HB2 ARG 51 1HB ARG 51 11.947 4.708 2.766 380 HB3 ARG 51 2HB ARG 51 10.515 4.744 3.786 381 HG2 ARG 51 1HG ARG 51 9.647 2.848 2.291 382 HG3 ARG 51 2HG ARG 51 11.322 2.700 1.756 383 HD2 ARG 51 1HD ARG 51 10.998 1.156 3.542 384 HD3 ARG 51 2HD ARG 51 11.985 2.482 4.156 385 HE ARG 51 HE ARG 51 9.217 2.921 4.651 386 HH11 ARG 51 1HH1 ARG 51 11.998 1.148 5.763 387 HH12 ARG 51 2HH1 ARG 51 11.423 1.012 7.392 388 HH21 ARG 51 1HH2 ARG 51 8.450 2.751 6.792 389 HH22 ARG 51 2HH2 ARG 51 9.405 1.924 7.976 390 H GLY 52 H GLY 52 7.830 6.279 2.149 391 HA2 GLY 52 1HA GLY 52 8.584 8.425 3.944 392 HA3 GLY 52 2HA GLY 52 7.991 8.954 2.377 393 H TRP 53 H TRP 53 6.367 9.998 3.824 394 HA TRP 53 HA TRP 53 4.262 8.121 4.653 395 HB2 TRP 53 1HB TRP 53 3.479 9.761 6.169 396 HB3 TRP 53 2HB TRP 53 5.234 9.792 6.317 397 HD1 TRP 53 HD TRP 53 6.494 11.885 5.008 398 HE1 TRP 53 1HE TRP 53 5.676 14.299 4.649 399 HE3 TRP 53 3HE TRP 53 1.496 11.182 5.828 400 HZ2 TRP 53 2HZ TRP 53 3.236 15.718 4.705 401 HZ3 TRP 53 3HZ TRP 53 -0.012 13.119 5.655 402 HH2 TRP 53 HH TRP 53 0.841 15.339 5.106 403 H PHE 54 H PHE 54 2.003 8.882 4.323 404 HA PHE 54 HA PHE 54 1.359 10.870 2.433 405 HB2 PHE 54 1HB PHE 54 0.756 9.502 0.510 406 HB3 PHE 54 2HB PHE 54 2.464 9.298 0.877 407 HD1 PHE 54 1HD PHE 54 -0.819 7.739 1.711 408 HD2 PHE 54 2HD PHE 54 3.315 7.169 0.878 409 HE1 PHE 54 1HE PHE 54 -1.139 5.301 1.814 410 HE2 PHE 54 2HE PHE 54 3.003 4.730 0.978 411 HZ PHE 54 HZ PHE 54 0.774 3.794 1.447 412 HA PRO 55 HA PRO 55 -2.616 10.150 4.151 413 HB2 PRO 55 1HB PRO 55 -4.210 11.152 2.193 414 HB3 PRO 55 2HB PRO 55 -3.231 12.175 3.254 415 HG2 PRO 55 1HG PRO 55 -2.667 11.257 0.461 416 HG3 PRO 55 2HG PRO 55 -2.433 12.861 1.179 417 HD2 PRO 55 1HD PRO 55 -0.399 11.105 0.839 418 HD3 PRO 55 2HD PRO 55 -0.450 12.256 2.189 419 H ALA 56 H ALA 56 -3.751 8.331 4.332 420 HA ALA 56 HA ALA 56 -3.671 6.251 2.438 421 HB1 ALA 56 3HB ALA 56 -5.860 5.693 4.022 422 HB2 ALA 56 1HB ALA 56 -4.191 5.223 4.346 423 HB3 ALA 56 2HB ALA 56 -4.847 6.700 5.056 424 H LYS 57 H LYS 57 -6.154 8.660 3.193 425 HA LYS 57 HA LYS 57 -8.288 7.778 1.744 426 HB2 LYS 57 1HB LYS 57 -8.927 10.126 1.438 427 HB3 LYS 57 2HB LYS 57 -8.327 9.835 3.065 428 HG2 LYS 57 1HG LYS 57 -6.342 10.983 2.672 429 HG3 LYS 57 2HG LYS 57 -6.517 10.874 0.919 430 HD2 LYS 57 1HD LYS 57 -8.098 12.566 0.842 431 HD3 LYS 57 2HD LYS 57 -8.547 12.360 2.537 432 HE2 LYS 57 1HE LYS 57 -5.889 13.423 1.589 433 HE3 LYS 57 2HE LYS 57 -7.249 14.433 2.078 434 HZ1 LYS 57 3HZ LYS 57 -5.373 12.970 3.701 435 HZ2 LYS 57 1HZ LYS 57 -6.984 12.755 4.170 436 HZ3 LYS 57 2HZ LYS 57 -6.326 14.310 4.092 437 H PHE 58 H PHE 58 -5.308 9.146 0.520 438 HA PHE 58 HA PHE 58 -6.189 9.563 -2.146 439 HB2 PHE 58 1HB PHE 58 -3.566 9.501 -0.743 440 HB3 PHE 58 2HB PHE 58 -3.550 9.291 -2.490 441 HD1 PHE 58 2HD PHE 58 -4.770 11.549 0.192 442 HD2 PHE 58 1HD PHE 58 -3.672 11.134 -3.899 443 HE1 PHE 58 2HE PHE 58 -4.939 13.986 -0.097 444 HE2 PHE 58 1HE PHE 58 -3.836 13.572 -4.194 445 HZ PHE 58 HZ PHE 58 -4.472 15.000 -2.291 446 H VAL 59 H VAL 59 -4.784 6.836 -0.441 447 HA VAL 59 HA VAL 59 -4.971 5.236 -2.908 448 HB VAL 59 HB VAL 59 -3.308 3.771 -2.075 449 HG11 VAL 59 1HG1 VAL 59 -2.648 6.660 -1.609 450 HG12 VAL 59 2HG1 VAL 59 -1.432 5.393 -1.448 451 HG13 VAL 59 3HG1 VAL 59 -2.246 5.644 -2.992 452 HG21 VAL 59 3HG2 VAL 59 -3.900 5.068 0.546 453 HG22 VAL 59 1HG2 VAL 59 -3.745 3.356 0.145 454 HG23 VAL 59 2HG2 VAL 59 -2.305 4.367 0.273 455 H GLU 60 H GLU 60 -5.161 2.751 -2.154 456 HA GLU 60 HA GLU 60 -7.184 2.488 -0.064 457 HB2 GLU 60 1HB GLU 60 -8.493 2.865 -2.076 458 HB3 GLU 60 2HB GLU 60 -7.596 1.616 -2.928 459 HG2 GLU 60 1HG GLU 60 -9.509 0.495 -2.377 460 HG3 GLU 60 2HG GLU 60 -8.468 0.076 -1.019 461 H VAL 61 H VAL 61 -7.234 0.495 0.915 462 HA VAL 61 HA VAL 61 -4.908 -1.131 0.634 463 HB VAL 61 HB VAL 61 -7.419 -1.685 2.220 464 HG11 VAL 61 1HG1 VAL 61 -5.672 -3.004 3.602 465 HG12 VAL 61 2HG1 VAL 61 -6.310 -3.721 2.122 466 HG13 VAL 61 3HG1 VAL 61 -4.716 -2.968 2.120 467 HG21 VAL 61 3HG2 VAL 61 -4.965 -0.759 3.566 468 HG22 VAL 61 1HG2 VAL 61 -5.803 0.441 2.583 469 HG23 VAL 61 2HG2 VAL 61 -6.654 -0.376 3.894 470 H LEU 62 H LEU 62 -4.816 -3.359 0.088 471 HA LEU 62 HA LEU 62 -7.084 -4.404 -1.450 472 HB2 LEU 62 1HB LEU 62 -4.350 -4.875 -2.509 473 HB3 LEU 62 2HB LEU 62 -5.892 -4.798 -3.359 474 HG LEU 62 HG LEU 62 -4.665 -2.319 -2.205 475 HD11 LEU 62 1HD1 LEU 62 -4.151 -2.847 -5.045 476 HD12 LEU 62 2HD1 LEU 62 -3.232 -3.851 -3.925 477 HD13 LEU 62 3HD1 LEU 62 -3.128 -2.093 -3.823 478 HD21 LEU 62 3HD2 LEU 62 -6.926 -3.016 -3.878 479 HD22 LEU 62 1HD2 LEU 62 -5.887 -1.813 -4.640 480 HD23 LEU 62 2HD2 LEU 62 -6.563 -1.507 -3.040 481 H ASP 63 H ASP 63 -7.581 -6.400 -0.847 482 HA ASP 63 HA ASP 63 -5.610 -7.935 0.692 483 HB2 ASP 63 1HB ASP 63 -7.443 -9.149 1.630 484 HB3 ASP 63 2HB ASP 63 -7.879 -7.443 1.674 485 H GLU 64 H GLU 64 -5.349 -7.793 -2.137 486 HA GLU 64 HA GLU 64 -5.360 -9.069 -4.060 487 HB2 GLU 64 1HB GLU 64 -4.265 -10.792 -1.858 488 HB3 GLU 64 2HB GLU 64 -4.338 -11.391 -3.510 489 HG2 GLU 64 1HG GLU 64 -3.091 -8.740 -3.041 490 HG3 GLU 64 2HG GLU 64 -2.199 -10.181 -2.555 491 H ARG 65 H ARG 65 -7.952 -8.958 -3.114 492 HA ARG 65 HA ARG 65 -8.960 -11.705 -3.244 493 HB2 ARG 65 1HB ARG 65 -9.944 -10.554 -1.440 494 HB3 ARG 65 2HB ARG 65 -10.181 -9.095 -2.389 495 HG2 ARG 65 1HG ARG 65 -12.309 -10.071 -2.101 496 HG3 ARG 65 2HG ARG 65 -11.834 -10.389 -3.771 497 HD2 ARG 65 1HD ARG 65 -11.472 -12.636 -3.380 498 HD3 ARG 65 2HD ARG 65 -11.216 -12.399 -1.653 499 HE ARG 65 HE ARG 65 -13.867 -11.724 -2.293 500 HH11 ARG 65 1HH1 ARG 65 -11.781 -14.501 -2.065 501 HH12 ARG 65 2HH1 ARG 65 -13.066 -15.600 -1.687 502 HH21 ARG 65 1HH2 ARG 65 -15.568 -13.159 -1.795 503 HH22 ARG 65 2HH2 ARG 65 -15.220 -14.835 -1.534 504 H SER 66 H SER 66 -10.222 -12.445 -4.887 505 HA SER 66 HA SER 66 -11.309 -10.672 -6.881 506 HB2 SER 66 1HB SER 66 -10.071 -11.691 -8.774 507 HB3 SER 66 2HB SER 66 -9.006 -10.813 -7.677 508 HG SER 66 HG SER 66 -9.404 -13.530 -7.198 509 H LYS 67 H LYS 67 -12.968 -11.593 -8.008 510 HA LYS 67 HA LYS 67 -13.347 -14.354 -8.396 511 HB2 LYS 67 1HB LYS 67 -13.682 -14.237 -5.911 512 HB3 LYS 67 2HB LYS 67 -15.070 -13.194 -6.201 513 HG2 LYS 67 1HG LYS 67 -16.222 -14.949 -7.357 514 HG3 LYS 67 2HG LYS 67 -14.800 -15.992 -7.280 515 HD2 LYS 67 1HD LYS 67 -15.069 -15.533 -4.681 516 HD3 LYS 67 2HD LYS 67 -16.748 -15.263 -5.155 517 HE2 LYS 67 1HE LYS 67 -16.681 -17.486 -6.311 518 HE3 LYS 67 2HE LYS 67 -15.093 -17.746 -5.591 519 HZ1 LYS 67 3HZ LYS 67 -16.790 -18.789 -4.261 520 HZ2 LYS 67 1HZ LYS 67 -17.640 -17.333 -4.118 521 HZ3 LYS 67 2HZ LYS 67 -16.120 -17.499 -3.396 522 H GLU 68 H GLU 68 -14.990 -14.739 -9.821 523 HA GLU 68 HA GLU 68 -16.915 -12.589 -10.332 524 HB2 GLU 68 1HB GLU 68 -16.555 -12.772 -12.754 525 HB3 GLU 68 2HB GLU 68 -15.100 -12.240 -11.924 526 HG2 GLU 68 1HG GLU 68 -15.490 -15.136 -12.510 527 HG3 GLU 68 2HG GLU 68 -14.961 -14.043 -13.786 528 H TYR 69 H TYR 69 -18.774 -13.281 -11.596 529 HA TYR 69 HA TYR 69 -19.218 -16.190 -11.517 530 HB2 TYR 69 1HB TYR 69 -21.410 -14.225 -10.906 531 HB3 TYR 69 2HB TYR 69 -21.349 -15.948 -10.554 532 HD1 TYR 69 1HD TYR 69 -19.108 -16.518 -9.046 533 HD2 TYR 69 2HD TYR 69 -21.314 -12.881 -9.045 534 HE1 TYR 69 1HE TYR 69 -18.291 -16.030 -6.778 535 HE2 TYR 69 2HE TYR 69 -20.502 -12.381 -6.778 536 HH TYR 69 HH TYR 69 -19.578 -14.110 -4.733 537 H SER 70 H SER 70 -21.360 -16.693 -12.758 538 HA SER 70 HA SER 70 -20.965 -15.730 -15.439 539 HB2 SER 70 1HB SER 70 -21.690 -18.123 -14.566 540 HB3 SER 70 2HB SER 70 -23.308 -17.436 -14.702 541 HG SER 70 HG SER 70 -21.689 -18.342 -16.644 542 H ILE 71 H ILE 71 -22.088 -14.220 -16.499 543 HA ILE 71 HA ILE 71 -23.832 -12.475 -15.134 544 HB ILE 71 HB ILE 71 -24.384 -11.759 -17.606 545 HG12 ILE 71 1HG1 ILE 71 -21.741 -13.105 -18.090 546 HG13 ILE 71 2HG1 ILE 71 -23.249 -13.965 -18.381 547 HG21 ILE 71 1HG2 ILE 71 -22.246 -11.200 -15.761 548 HG22 ILE 71 2HG2 ILE 71 -21.709 -10.972 -17.425 549 HG23 ILE 71 3HG2 ILE 71 -23.122 -10.103 -16.828 550 HD11 ILE 71 3HD1 ILE 71 -23.578 -11.522 -19.656 551 HD12 ILE 71 1HD1 ILE 71 -21.912 -11.991 -19.995 552 HD13 ILE 71 2HD1 ILE 71 -23.237 -13.080 -20.409 553 H ALA 72 H ALA 72 -26.014 -12.323 -15.037 554 HA ALA 72 HA ALA 72 -27.541 -14.655 -15.814 555 HB1 ALA 72 3HB ALA 72 -27.824 -13.519 -13.611 556 HB2 ALA 72 1HB ALA 72 -28.537 -12.151 -14.466 557 HB3 ALA 72 2HB ALA 72 -29.322 -13.729 -14.516 558 H SER 73 H SER 73 -27.926 -14.717 -17.967 559 HA SER 73 HA SER 73 -28.645 -12.353 -19.451 560 HB2 SER 73 1HB SER 73 -28.554 -13.704 -21.379 561 HB3 SER 73 2HB SER 73 -27.315 -14.381 -20.321 562 HG SER 73 HG SER 73 -29.303 -15.741 -19.624 563 H GLY 74 H GLY 74 -30.616 -12.424 -20.899 564 HA2 GLY 74 1HA GLY 74 -32.899 -13.687 -19.525 565 HA3 GLY 74 2HA GLY 74 -32.940 -11.979 -19.934 566 HA PRO 75 HA PRO 75 -34.962 -14.226 -23.407 567 HB2 PRO 75 1HB PRO 75 -36.908 -12.367 -23.763 568 HB3 PRO 75 2HB PRO 75 -37.037 -13.679 -22.586 569 HG2 PRO 75 1HG PRO 75 -36.259 -10.820 -22.157 570 HG3 PRO 75 2HG PRO 75 -37.328 -11.847 -21.183 571 HD2 PRO 75 1HD PRO 75 -34.757 -11.351 -20.494 572 HD3 PRO 75 2HD PRO 75 -35.566 -12.886 -20.119 573 H SER 76 H SER 76 -34.697 -13.836 -25.563 574 HA SER 76 HA SER 76 -33.085 -11.533 -26.282 575 HB2 SER 76 1HB SER 76 -32.685 -13.958 -27.058 576 HB3 SER 76 2HB SER 76 -34.014 -13.678 -28.183 577 HG SER 76 HG SER 76 -31.433 -12.762 -28.252 578 H SER 77 H SER 77 -34.319 -9.731 -26.431 579 HA SER 77 HA SER 77 -36.939 -9.486 -27.227 580 HB2 SER 77 1HB SER 77 -35.530 -7.665 -26.248 581 HB3 SER 77 2HB SER 77 -34.761 -7.472 -27.822 582 HG SER 77 HG SER 77 -36.947 -7.103 -28.637 583 H GLY 78 H GLY 78 -34.043 -9.255 -29.284 584 HA2 GLY 78 1HA GLY 78 -33.768 -9.570 -31.541 585 HA3 GLY 78 2HA GLY 78 -35.254 -10.505 -31.496 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -0.407 -16.514 8.738 2 HA2 GLY 1 1HA GLY 1 0.527 -14.560 7.076 3 HA3 GLY 1 2HA GLY 1 -0.802 -13.785 7.925 4 H SER 2 H SER 2 1.930 -13.002 8.065 5 HA SER 2 HA SER 2 3.318 -13.961 10.280 6 HB2 SER 2 1HB SER 2 3.264 -11.273 8.924 7 HB3 SER 2 2HB SER 2 4.290 -11.570 10.327 8 HG SER 2 HG SER 2 4.320 -13.130 7.956 9 H SER 3 H SER 3 3.760 -12.552 12.280 10 HA SER 3 HA SER 3 1.161 -11.782 13.431 11 HB2 SER 3 1HB SER 3 2.400 -13.788 14.408 12 HB3 SER 3 2HB SER 3 3.595 -12.635 15.001 13 HG SER 3 HG SER 3 1.479 -13.320 16.253 14 H GLY 4 H GLY 4 4.645 -11.064 13.722 15 HA2 GLY 4 1HA GLY 4 3.990 -8.410 14.761 16 HA3 GLY 4 2HA GLY 4 5.585 -9.148 14.731 17 H SER 5 H SER 5 5.870 -9.843 12.104 18 HA SER 5 HA SER 5 6.616 -7.395 10.925 19 HB2 SER 5 1HB SER 5 6.416 -10.207 9.857 20 HB3 SER 5 2HB SER 5 6.936 -8.861 8.842 21 HG SER 5 HG SER 5 8.669 -10.017 9.895 22 H SER 6 H SER 6 5.802 -6.315 9.103 23 HA SER 6 HA SER 6 2.982 -6.903 8.484 24 HB2 SER 6 1HB SER 6 3.345 -4.823 9.850 25 HB3 SER 6 2HB SER 6 4.259 -4.160 8.495 26 HG SER 6 HG SER 6 2.151 -3.465 8.312 27 H GLY 7 H GLY 7 2.303 -6.705 6.359 28 HA2 GLY 7 1HA GLY 7 4.089 -5.738 4.309 29 HA3 GLY 7 2HA GLY 7 3.904 -7.486 4.312 30 H ARG 8 H ARG 8 2.344 -4.429 3.722 31 HA ARG 8 HA ARG 8 0.164 -5.873 2.365 32 HB2 ARG 8 1HB ARG 8 0.047 -3.544 4.234 33 HB3 ARG 8 2HB ARG 8 -1.123 -3.635 2.924 34 HG2 ARG 8 1HG ARG 8 -1.759 -5.899 3.732 35 HG3 ARG 8 2HG ARG 8 -0.691 -5.652 5.114 36 HD2 ARG 8 1HD ARG 8 -2.056 -4.077 6.064 37 HD3 ARG 8 2HD ARG 8 -2.731 -3.573 4.516 38 HE ARG 8 HE ARG 8 -3.594 -6.164 4.933 39 HH11 ARG 8 1HH1 ARG 8 -3.904 -3.078 6.517 40 HH12 ARG 8 2HH1 ARG 8 -5.462 -3.432 7.187 41 HH21 ARG 8 1HH2 ARG 8 -5.645 -6.641 5.811 42 HH22 ARG 8 2HH2 ARG 8 -6.451 -5.459 6.785 43 H ARG 9 H ARG 9 -1.032 -4.220 0.848 44 HA ARG 9 HA ARG 9 0.815 -2.361 -0.425 45 HB2 ARG 9 1HB ARG 9 -0.458 -4.660 -1.923 46 HB3 ARG 9 2HB ARG 9 0.471 -3.353 -2.650 47 HG2 ARG 9 1HG ARG 9 2.308 -4.192 -0.945 48 HG3 ARG 9 2HG ARG 9 1.390 -5.694 -1.078 49 HD2 ARG 9 1HD ARG 9 1.570 -5.368 -3.606 50 HD3 ARG 9 2HD ARG 9 2.798 -4.157 -3.242 51 HE ARG 9 HE ARG 9 3.454 -6.508 -1.879 52 HH11 ARG 9 1HH1 ARG 9 3.218 -5.317 -5.142 53 HH12 ARG 9 2HH1 ARG 9 4.439 -6.380 -5.757 54 HH21 ARG 9 1HH2 ARG 9 5.064 -7.912 -2.677 55 HH22 ARG 9 2HH2 ARG 9 5.489 -7.857 -4.353 56 H ALA 10 H ALA 10 -0.213 -0.583 -1.080 57 HA ALA 10 HA ALA 10 -3.150 -0.684 -1.285 58 HB1 ALA 10 3HB ALA 10 -1.456 1.002 0.227 59 HB2 ALA 10 1HB ALA 10 -2.221 1.992 -1.018 60 HB3 ALA 10 2HB ALA 10 -3.214 1.049 0.095 61 H LYS 11 H LYS 11 -4.183 0.316 -2.998 62 HA LYS 11 HA LYS 11 -2.469 0.868 -5.314 63 HB2 LYS 11 1HB LYS 11 -4.229 -0.885 -5.513 64 HB3 LYS 11 2HB LYS 11 -5.447 0.354 -5.236 65 HG2 LYS 11 1HG LYS 11 -4.270 1.516 -7.274 66 HG3 LYS 11 2HG LYS 11 -3.741 -0.132 -7.623 67 HD2 LYS 11 1HD LYS 11 -5.718 -0.101 -8.774 68 HD3 LYS 11 2HD LYS 11 -6.292 -0.667 -7.204 69 HE2 LYS 11 1HE LYS 11 -7.793 1.027 -7.819 70 HE3 LYS 11 2HE LYS 11 -6.708 1.785 -6.655 71 HZ1 LYS 11 3HZ LYS 11 -6.199 3.298 -8.168 72 HZ2 LYS 11 1HZ LYS 11 -7.246 2.574 -9.281 73 HZ3 LYS 11 2HZ LYS 11 -5.623 2.103 -9.217 74 H ALA 12 H ALA 12 -2.211 2.876 -6.027 75 HA ALA 12 HA ALA 12 -3.441 5.090 -4.741 76 HB1 ALA 12 3HB ALA 12 -2.211 6.460 -6.322 77 HB2 ALA 12 1HB ALA 12 -1.177 5.180 -5.688 78 HB3 ALA 12 2HB ALA 12 -1.858 5.041 -7.309 79 H LEU 13 H LEU 13 -5.285 6.109 -5.182 80 HA LEU 13 HA LEU 13 -6.922 5.199 -7.384 81 HB2 LEU 13 1HB LEU 13 -7.457 7.289 -5.279 82 HB3 LEU 13 2HB LEU 13 -8.641 6.651 -6.418 83 HG LEU 13 HG LEU 13 -7.245 4.983 -4.331 84 HD11 LEU 13 1HD1 LEU 13 -9.830 6.501 -4.249 85 HD12 LEU 13 2HD1 LEU 13 -8.523 6.471 -3.065 86 HD13 LEU 13 3HD1 LEU 13 -9.567 5.064 -3.262 87 HD21 LEU 13 3HD2 LEU 13 -9.074 3.403 -4.815 88 HD22 LEU 13 1HD2 LEU 13 -8.049 3.703 -6.219 89 HD23 LEU 13 2HD2 LEU 13 -9.631 4.472 -6.103 90 H LEU 14 H LEU 14 -4.774 7.785 -6.745 91 HA LEU 14 HA LEU 14 -5.222 8.872 -9.380 92 HB2 LEU 14 1HB LEU 14 -5.458 11.207 -8.497 93 HB3 LEU 14 2HB LEU 14 -6.861 10.163 -8.277 94 HG LEU 14 HG LEU 14 -4.887 10.527 -6.056 95 HD11 LEU 14 1HD1 LEU 14 -5.810 12.506 -5.332 96 HD12 LEU 14 2HD1 LEU 14 -7.286 12.289 -6.273 97 HD13 LEU 14 3HD1 LEU 14 -5.786 12.749 -7.078 98 HD21 LEU 14 3HD2 LEU 14 -7.127 8.974 -6.361 99 HD22 LEU 14 1HD2 LEU 14 -7.746 10.382 -5.499 100 HD23 LEU 14 2HD2 LEU 14 -6.409 9.452 -4.823 101 H ASP 15 H ASP 15 -3.762 11.067 -9.427 102 HA ASP 15 HA ASP 15 -1.099 10.103 -8.808 103 HB2 ASP 15 1HB ASP 15 -2.046 12.570 -10.281 104 HB3 ASP 15 2HB ASP 15 -0.358 12.106 -10.095 105 H PHE 16 H PHE 16 -0.472 10.385 -6.757 106 HA PHE 16 HA PHE 16 -1.187 12.832 -5.338 107 HB2 PHE 16 1HB PHE 16 -1.498 10.742 -4.134 108 HB3 PHE 16 2HB PHE 16 0.188 10.308 -4.396 109 HD1 PHE 16 1HD PHE 16 -1.855 13.055 -2.917 110 HD2 PHE 16 2HD PHE 16 1.691 10.710 -2.709 111 HE1 PHE 16 1HE PHE 16 -1.249 14.169 -0.811 112 HE2 PHE 16 2HE PHE 16 2.303 11.821 -0.600 113 HZ PHE 16 HZ PHE 16 0.834 13.551 0.352 114 H GLU 17 H GLU 17 0.101 14.494 -5.868 115 HA GLU 17 HA GLU 17 2.919 14.107 -6.393 116 HB2 GLU 17 1HB GLU 17 1.889 15.710 -7.792 117 HB3 GLU 17 2HB GLU 17 1.096 16.501 -6.437 118 HG2 GLU 17 1HG GLU 17 2.967 17.658 -5.832 119 HG3 GLU 17 2HG GLU 17 4.065 16.449 -6.498 120 H ARG 18 H ARG 18 4.170 13.744 -4.671 121 HA ARG 18 HA ARG 18 3.653 14.570 -2.048 122 HB2 ARG 18 1HB ARG 18 5.748 13.700 -1.492 123 HB3 ARG 18 2HB ARG 18 5.288 12.775 -2.916 124 HG2 ARG 18 1HG ARG 18 6.622 14.689 -4.153 125 HG3 ARG 18 2HG ARG 18 7.412 14.818 -2.581 126 HD2 ARG 18 1HD ARG 18 7.865 12.374 -2.679 127 HD3 ARG 18 2HD ARG 18 7.204 12.360 -4.314 128 HE ARG 18 HE ARG 18 9.789 13.313 -3.496 129 HH11 ARG 18 1HH1 ARG 18 7.285 13.532 -5.905 130 HH12 ARG 18 2HH1 ARG 18 8.355 14.077 -7.155 131 HH21 ARG 18 1HH2 ARG 18 11.208 14.032 -5.132 132 HH22 ARG 18 2HH2 ARG 18 10.585 14.361 -6.715 133 H HIS 19 H HIS 19 4.005 16.407 -0.959 134 HA HIS 19 HA HIS 19 4.963 18.715 -2.412 135 HB2 HIS 19 1HB HIS 19 2.990 18.917 -0.974 136 HB3 HIS 19 2HB HIS 19 3.952 18.451 0.427 137 HD1 HIS 19 1HD HIS 19 3.555 20.666 1.651 138 HD2 HIS 19 2HD HIS 19 5.331 21.117 -2.078 139 HE1 HIS 19 1HE HIS 19 4.339 23.054 1.565 140 HE2 HIS 19 2HE HIS 19 5.335 23.326 -0.732 141 H ASP 20 H ASP 20 5.938 16.835 0.426 142 HA ASP 20 HA ASP 20 8.531 18.234 0.373 143 HB2 ASP 20 1HB ASP 20 6.997 16.978 2.643 144 HB3 ASP 20 2HB ASP 20 8.716 17.340 2.768 145 H ASP 21 H ASP 21 10.402 16.896 1.064 146 HA ASP 21 HA ASP 21 10.726 14.666 -0.567 147 HB2 ASP 21 1HB ASP 21 12.476 16.170 0.676 148 HB3 ASP 21 2HB ASP 21 12.335 14.956 1.945 149 H ASP 22 H ASP 22 9.924 14.851 2.875 150 HA ASP 22 HA ASP 22 10.032 12.122 3.465 151 HB2 ASP 22 1HB ASP 22 8.131 12.889 5.170 152 HB3 ASP 22 2HB ASP 22 9.818 13.344 5.388 153 H GLU 23 H GLU 23 7.438 14.086 2.103 154 HA GLU 23 HA GLU 23 5.413 12.125 2.219 155 HB2 GLU 23 1HB GLU 23 5.824 14.636 0.641 156 HB3 GLU 23 2HB GLU 23 4.509 13.552 0.208 157 HG2 GLU 23 1HG GLU 23 4.819 14.424 3.042 158 HG3 GLU 23 2HG GLU 23 4.108 15.523 1.860 159 H LEU 24 H LEU 24 4.936 10.434 0.950 160 HA LEU 24 HA LEU 24 6.819 9.739 -1.154 161 HB2 LEU 24 1HB LEU 24 6.151 8.094 0.568 162 HB3 LEU 24 2HB LEU 24 4.500 8.166 -0.044 163 HG LEU 24 HG LEU 24 5.355 7.300 -2.228 164 HD11 LEU 24 1HD1 LEU 24 7.797 6.258 -0.976 165 HD12 LEU 24 2HD1 LEU 24 7.809 7.989 -1.309 166 HD13 LEU 24 3HD1 LEU 24 7.518 6.843 -2.617 167 HD21 LEU 24 3HD2 LEU 24 5.634 5.687 0.292 168 HD22 LEU 24 1HD2 LEU 24 5.803 4.971 -1.310 169 HD23 LEU 24 2HD2 LEU 24 4.284 5.733 -0.842 170 H GLY 25 H GLY 25 6.439 10.451 -3.145 171 HA2 GLY 25 1HA GLY 25 3.715 11.044 -3.994 172 HA3 GLY 25 2HA GLY 25 5.187 11.442 -4.865 173 H PHE 26 H PHE 26 2.724 10.185 -5.832 174 HA PHE 26 HA PHE 26 3.967 8.010 -7.265 175 HB2 PHE 26 1HB PHE 26 1.930 6.508 -6.704 176 HB3 PHE 26 2HB PHE 26 3.239 6.622 -5.532 177 HD1 PHE 26 1HD PHE 26 -0.214 7.577 -6.289 178 HD2 PHE 26 2HD PHE 26 2.923 7.712 -3.415 179 HE1 PHE 26 1HE PHE 26 -1.826 8.281 -4.567 180 HE2 PHE 26 2HE PHE 26 1.317 8.416 -1.689 181 HZ PHE 26 HZ PHE 26 -1.061 8.701 -2.263 182 H ARG 27 H ARG 27 2.008 6.912 -8.628 183 HA ARG 27 HA ARG 27 0.400 9.130 -9.710 184 HB2 ARG 27 1HB ARG 27 1.844 7.001 -11.299 185 HB3 ARG 27 2HB ARG 27 0.771 8.222 -11.972 186 HG2 ARG 27 1HG ARG 27 3.237 8.934 -10.416 187 HG3 ARG 27 2HG ARG 27 3.260 8.650 -12.158 188 HD2 ARG 27 1HD ARG 27 1.556 10.410 -12.437 189 HD3 ARG 27 2HD ARG 27 1.614 10.716 -10.702 190 HE ARG 27 HE ARG 27 3.528 11.556 -12.681 191 HH11 ARG 27 1HH1 ARG 27 2.989 10.873 -9.309 192 HH12 ARG 27 2HH1 ARG 27 4.289 11.879 -8.763 193 HH21 ARG 27 1HH2 ARG 27 5.242 12.884 -11.974 194 HH22 ARG 27 2HH2 ARG 27 5.571 13.024 -10.280 195 H LYS 28 H LYS 28 -1.572 8.519 -10.749 196 HA LYS 28 HA LYS 28 -3.179 6.775 -9.399 197 HB2 LYS 28 1HB LYS 28 -3.900 8.495 -11.083 198 HB3 LYS 28 2HB LYS 28 -3.452 7.360 -12.350 199 HG2 LYS 28 1HG LYS 28 -5.095 5.762 -11.493 200 HG3 LYS 28 2HG LYS 28 -5.552 6.915 -10.237 201 HD2 LYS 28 1HD LYS 28 -6.387 8.458 -11.852 202 HD3 LYS 28 2HD LYS 28 -5.706 7.522 -13.184 203 HE2 LYS 28 1HE LYS 28 -7.294 5.829 -12.966 204 HE3 LYS 28 2HE LYS 28 -7.718 6.309 -11.324 205 HZ1 LYS 28 3HZ LYS 28 -8.676 8.363 -12.269 206 HZ2 LYS 28 1HZ LYS 28 -9.462 6.961 -12.801 207 HZ3 LYS 28 2HZ LYS 28 -8.381 7.765 -13.824 208 H ASN 29 H ASN 29 -3.805 4.650 -9.571 209 HA ASN 29 HA ASN 29 -3.642 2.429 -10.029 210 HB2 ASN 29 1HB ASN 29 -2.370 3.100 -12.672 211 HB3 ASN 29 2HB ASN 29 -3.422 1.746 -12.268 212 HD21 ASN 29 1HD2 ASN 29 -5.503 2.960 -11.027 213 HD22 ASN 29 2HD2 ASN 29 -6.320 4.013 -12.126 214 H ASP 30 H ASP 30 -1.657 3.403 -8.467 215 HA ASP 30 HA ASP 30 0.716 1.933 -9.409 216 HB2 ASP 30 1HB ASP 30 0.514 4.547 -7.942 217 HB3 ASP 30 2HB ASP 30 1.953 3.544 -7.784 218 H ILE 31 H ILE 31 1.640 0.495 -8.029 219 HA ILE 31 HA ILE 31 0.160 -0.054 -5.560 220 HB ILE 31 HB ILE 31 2.180 -1.794 -6.977 221 HG12 ILE 31 1HG1 ILE 31 0.129 -1.395 -8.312 222 HG13 ILE 31 2HG1 ILE 31 0.284 -3.072 -7.799 223 HG21 ILE 31 1HG2 ILE 31 1.585 -3.520 -5.497 224 HG22 ILE 31 2HG2 ILE 31 1.805 -2.097 -4.481 225 HG23 ILE 31 3HG2 ILE 31 0.179 -2.635 -4.902 226 HD11 ILE 31 3HD1 ILE 31 -1.919 -1.411 -7.489 227 HD12 ILE 31 1HD1 ILE 31 -1.669 -2.998 -6.763 228 HD13 ILE 31 2HD1 ILE 31 -1.215 -1.541 -5.878 229 H ILE 32 H ILE 32 0.989 0.452 -3.648 230 HA ILE 32 HA ILE 32 3.901 0.873 -3.449 231 HB ILE 32 HB ILE 32 1.765 2.258 -1.824 232 HG12 ILE 32 1HG1 ILE 32 3.529 3.643 -3.806 233 HG13 ILE 32 2HG1 ILE 32 2.091 2.805 -4.376 234 HG21 ILE 32 1HG2 ILE 32 3.453 3.453 -0.771 235 HG22 ILE 32 2HG2 ILE 32 4.125 1.827 -0.872 236 HG23 ILE 32 3HG2 ILE 32 4.639 3.067 -2.016 237 HD11 ILE 32 3HD1 ILE 32 2.085 5.366 -3.686 238 HD12 ILE 32 1HD1 ILE 32 0.683 4.320 -3.466 239 HD13 ILE 32 2HD1 ILE 32 1.751 4.664 -2.104 240 H THR 33 H THR 33 4.951 -0.394 -2.070 241 HA THR 33 HA THR 33 3.561 -2.346 -0.512 242 HB THR 33 HB THR 33 6.497 -1.635 -0.633 243 HG1 THR 33 1HG THR 33 6.513 -2.969 -2.274 244 HG21 THR 33 3HG2 THR 33 6.913 -3.048 1.044 245 HG22 THR 33 1HG2 THR 33 5.906 -4.298 0.314 246 HG23 THR 33 2HG2 THR 33 5.180 -3.081 1.366 247 H ILE 34 H ILE 34 2.501 -1.730 1.268 248 HA ILE 34 HA ILE 34 3.186 0.502 2.862 249 HB ILE 34 HB ILE 34 1.479 -1.859 3.656 250 HG12 ILE 34 1HG1 ILE 34 0.773 0.697 2.204 251 HG13 ILE 34 2HG1 ILE 34 0.634 -0.946 1.586 252 HG21 ILE 34 1HG2 ILE 34 1.443 -0.807 5.623 253 HG22 ILE 34 2HG2 ILE 34 2.206 0.637 4.955 254 HG23 ILE 34 3HG2 ILE 34 0.461 0.420 4.822 255 HD11 ILE 34 3HD1 ILE 34 -1.501 -0.763 2.196 256 HD12 ILE 34 1HD1 ILE 34 -0.902 -1.066 3.826 257 HD13 ILE 34 2HD1 ILE 34 -1.177 0.589 3.283 258 H ILE 35 H ILE 35 4.771 0.700 4.287 259 HA ILE 35 HA ILE 35 6.088 -1.697 5.315 260 HB ILE 35 HB ILE 35 6.927 1.194 5.560 261 HG12 ILE 35 1HG1 ILE 35 6.915 0.379 3.224 262 HG13 ILE 35 2HG1 ILE 35 8.547 0.696 3.807 263 HG21 ILE 35 1HG2 ILE 35 8.510 -1.319 6.079 264 HG22 ILE 35 2HG2 ILE 35 9.052 0.343 6.304 265 HG23 ILE 35 3HG2 ILE 35 7.778 -0.315 7.331 266 HD11 ILE 35 3HD1 ILE 35 7.840 -2.031 4.316 267 HD12 ILE 35 1HD1 ILE 35 7.571 -1.637 2.619 268 HD13 ILE 35 2HD1 ILE 35 9.158 -1.376 3.345 269 H SER 36 H SER 36 4.972 1.436 6.612 270 HA SER 36 HA SER 36 4.137 0.046 9.056 271 HB2 SER 36 1HB SER 36 6.455 1.313 9.151 272 HB3 SER 36 2HB SER 36 5.424 2.733 9.322 273 HG SER 36 HG SER 36 6.158 1.269 11.253 274 H GLN 37 H GLN 37 2.859 1.651 10.493 275 HA GLN 37 HA GLN 37 1.241 3.440 8.814 276 HB2 GLN 37 1HB GLN 37 0.056 1.642 10.923 277 HB3 GLN 37 2HB GLN 37 -0.799 2.618 9.737 278 HG2 GLN 37 1HG GLN 37 1.019 0.369 8.943 279 HG3 GLN 37 2HG GLN 37 -0.683 0.117 9.328 280 HE21 GLN 37 1HE2 GLN 37 -1.767 -0.153 7.520 281 HE22 GLN 37 2HE2 GLN 37 -1.601 0.788 6.081 282 H LYS 38 H LYS 38 2.031 5.324 9.638 283 HA LYS 38 HA LYS 38 2.608 5.811 12.348 284 HB2 LYS 38 1HB LYS 38 1.838 7.829 10.232 285 HB3 LYS 38 2HB LYS 38 2.698 8.165 11.730 286 HG2 LYS 38 1HG LYS 38 4.410 6.427 10.773 287 HG3 LYS 38 2HG LYS 38 3.667 6.868 9.234 288 HD2 LYS 38 1HD LYS 38 5.495 8.329 9.474 289 HD3 LYS 38 2HD LYS 38 4.080 9.289 9.915 290 HE2 LYS 38 1HE LYS 38 5.600 9.801 11.592 291 HE3 LYS 38 2HE LYS 38 4.609 8.541 12.329 292 HZ1 LYS 38 3HZ LYS 38 6.714 7.823 12.816 293 HZ2 LYS 38 1HZ LYS 38 7.384 8.398 11.374 294 HZ3 LYS 38 2HZ LYS 38 6.442 6.995 11.368 295 H ASP 39 H ASP 39 -0.202 6.824 10.399 296 HA ASP 39 HA ASP 39 -1.808 6.802 12.857 297 HB2 ASP 39 1HB ASP 39 -1.884 8.978 10.756 298 HB3 ASP 39 2HB ASP 39 -2.945 8.866 12.157 299 H GLU 40 H GLU 40 -4.240 7.141 12.167 300 HA GLU 40 HA GLU 40 -4.954 4.888 10.634 301 HB2 GLU 40 1HB GLU 40 -6.533 7.222 11.695 302 HB3 GLU 40 2HB GLU 40 -7.287 5.937 10.762 303 HG2 GLU 40 1HG GLU 40 -7.647 5.315 12.968 304 HG3 GLU 40 2HG GLU 40 -6.264 4.341 12.474 305 H HIS 41 H HIS 41 -3.847 7.847 9.625 306 HA HIS 41 HA HIS 41 -5.059 7.476 6.968 307 HB2 HIS 41 1HB HIS 41 -4.467 10.139 8.277 308 HB3 HIS 41 2HB HIS 41 -5.143 9.899 6.668 309 HD1 HIS 41 1HD HIS 41 -6.437 11.334 9.307 310 HD2 HIS 41 2HD HIS 41 -7.468 7.696 7.587 311 HE1 HIS 41 1HE HIS 41 -8.807 10.898 10.027 312 HE2 HIS 41 2HE HIS 41 -9.380 8.651 9.044 313 H CYS 42 H CYS 42 -2.374 8.946 8.773 314 HA CYS 42 HA CYS 42 -0.723 9.167 6.432 315 HB2 CYS 42 1HB CYS 42 -0.223 10.813 7.994 316 HB3 CYS 42 2HB CYS 42 -0.352 9.705 9.353 317 HG CYS 42 HG CYS 42 2.314 10.672 8.976 318 H TRP 43 H TRP 43 -0.235 7.240 5.520 319 HA TRP 43 HA TRP 43 0.937 5.166 7.250 320 HB2 TRP 43 1HB TRP 43 -0.388 4.968 4.540 321 HB3 TRP 43 2HB TRP 43 0.465 3.631 5.308 322 HD1 TRP 43 HD TRP 43 -0.921 4.839 8.240 323 HE1 TRP 43 1HE TRP 43 -3.274 3.930 8.752 324 HE3 TRP 43 3HE TRP 43 -2.177 3.162 3.576 325 HZ2 TRP 43 2HZ TRP 43 -5.383 2.669 7.363 326 HZ3 TRP 43 3HZ TRP 43 -4.380 2.116 3.252 327 HH2 TRP 43 HH TRP 43 -5.948 1.876 5.108 328 H VAL 44 H VAL 44 2.824 4.057 6.536 329 HA VAL 44 HA VAL 44 4.479 5.657 4.695 330 HB VAL 44 HB VAL 44 5.388 3.889 6.971 331 HG11 VAL 44 1HG1 VAL 44 7.135 5.815 5.498 332 HG12 VAL 44 2HG1 VAL 44 7.579 4.386 6.434 333 HG13 VAL 44 3HG1 VAL 44 6.847 4.205 4.839 334 HG21 VAL 44 3HG2 VAL 44 6.023 6.743 7.048 335 HG22 VAL 44 1HG2 VAL 44 4.299 6.389 7.160 336 HG23 VAL 44 2HG2 VAL 44 5.422 5.680 8.320 337 H GLY 45 H GLY 45 4.512 4.696 2.760 338 HA2 GLY 45 1HA GLY 45 4.810 1.757 2.684 339 HA3 GLY 45 2HA GLY 45 4.016 2.700 1.431 340 H GLU 46 H GLU 46 5.694 1.201 0.293 341 HA GLU 46 HA GLU 46 8.118 2.818 -0.122 342 HB2 GLU 46 1HB GLU 46 8.359 0.530 1.129 343 HB3 GLU 46 2HB GLU 46 8.176 -0.155 -0.479 344 HG2 GLU 46 1HG GLU 46 10.061 1.591 -1.062 345 HG3 GLU 46 2HG GLU 46 10.397 1.447 0.663 346 H LEU 47 H LEU 47 8.342 3.494 -2.146 347 HA LEU 47 HA LEU 47 7.581 1.835 -4.383 348 HB2 LEU 47 1HB LEU 47 5.460 2.890 -3.837 349 HB3 LEU 47 2HB LEU 47 6.219 4.479 -3.887 350 HG LEU 47 HG LEU 47 6.749 3.839 -6.362 351 HD11 LEU 47 1HD1 LEU 47 4.216 2.395 -6.424 352 HD12 LEU 47 2HD1 LEU 47 5.514 1.511 -5.623 353 HD13 LEU 47 3HD1 LEU 47 5.726 2.079 -7.279 354 HD21 LEU 47 3HD2 LEU 47 4.073 4.421 -6.659 355 HD22 LEU 47 1HD2 LEU 47 5.374 5.593 -6.448 356 HD23 LEU 47 2HD2 LEU 47 4.448 5.043 -5.051 357 H ASN 48 H ASN 48 8.848 2.217 -6.109 358 HA ASN 48 HA ASN 48 10.482 3.109 -7.415 359 HB2 ASN 48 1HB ASN 48 9.502 5.697 -6.192 360 HB3 ASN 48 2HB ASN 48 10.630 5.596 -7.542 361 HD21 ASN 48 1HD2 ASN 48 9.560 3.583 -9.032 362 HD22 ASN 48 2HD2 ASN 48 8.008 4.055 -9.628 363 H GLY 49 H GLY 49 11.108 2.157 -4.753 364 HA2 GLY 49 1HA GLY 49 13.001 1.984 -3.459 365 HA3 GLY 49 2HA GLY 49 13.794 3.075 -4.585 366 H LEU 50 H LEU 50 10.873 4.188 -3.169 367 HA LEU 50 HA LEU 50 12.410 5.829 -1.264 368 HB2 LEU 50 1HB LEU 50 9.898 6.761 -2.609 369 HB3 LEU 50 2HB LEU 50 11.109 7.717 -1.757 370 HG LEU 50 HG LEU 50 11.854 6.303 -4.282 371 HD11 LEU 50 1HD1 LEU 50 10.013 8.604 -4.011 372 HD12 LEU 50 2HD1 LEU 50 10.120 7.374 -5.270 373 HD13 LEU 50 3HD1 LEU 50 11.267 8.713 -5.248 374 HD21 LEU 50 3HD2 LEU 50 12.712 8.975 -3.196 375 HD22 LEU 50 1HD2 LEU 50 13.492 8.005 -4.445 376 HD23 LEU 50 2HD2 LEU 50 13.506 7.458 -2.768 377 H ARG 51 H ARG 51 11.646 5.985 0.776 378 HA ARG 51 HA ARG 51 9.058 4.700 1.348 379 HB2 ARG 51 1HB ARG 51 11.324 3.575 2.085 380 HB3 ARG 51 2HB ARG 51 11.244 4.757 3.386 381 HG2 ARG 51 1HG ARG 51 8.782 3.803 3.600 382 HG3 ARG 51 2HG ARG 51 9.541 2.390 2.859 383 HD2 ARG 51 1HD ARG 51 9.598 2.239 5.291 384 HD3 ARG 51 2HD ARG 51 11.225 2.366 4.627 385 HE ARG 51 HE ARG 51 10.650 4.922 5.196 386 HH11 ARG 51 1HH1 ARG 51 10.348 1.997 7.058 387 HH12 ARG 51 2HH1 ARG 51 10.598 2.784 8.580 388 HH21 ARG 51 1HH2 ARG 51 10.982 5.972 7.194 389 HH22 ARG 51 2HH2 ARG 51 10.958 5.046 8.656 390 H GLY 52 H GLY 52 7.660 6.268 1.842 391 HA2 GLY 52 1HA GLY 52 8.363 8.123 3.986 392 HA3 GLY 52 2HA GLY 52 7.895 8.832 2.448 393 H TRP 53 H TRP 53 6.322 9.701 4.230 394 HA TRP 53 HA TRP 53 4.096 7.893 4.724 395 HB2 TRP 53 1HB TRP 53 3.240 9.559 6.189 396 HB3 TRP 53 2HB TRP 53 4.983 9.534 6.447 397 HD1 TRP 53 HD TRP 53 6.376 11.569 5.121 398 HE1 TRP 53 1HE TRP 53 5.665 14.018 4.766 399 HE3 TRP 53 3HE TRP 53 1.346 11.072 5.888 400 HZ2 TRP 53 2HZ TRP 53 3.285 15.537 4.808 401 HZ3 TRP 53 3HZ TRP 53 -0.077 13.071 5.712 402 HH2 TRP 53 HH TRP 53 0.874 15.256 5.184 403 H PHE 54 H PHE 54 1.847 8.788 4.354 404 HA PHE 54 HA PHE 54 1.349 10.738 2.385 405 HB2 PHE 54 1HB PHE 54 0.778 9.374 0.469 406 HB3 PHE 54 2HB PHE 54 2.446 9.046 0.927 407 HD1 PHE 54 1HD PHE 54 -1.009 7.760 1.450 408 HD2 PHE 54 2HD PHE 54 3.143 6.862 1.175 409 HE1 PHE 54 1HE PHE 54 -1.523 5.358 1.579 410 HE2 PHE 54 2HE PHE 54 2.634 4.457 1.303 411 HZ PHE 54 HZ PHE 54 0.300 3.703 1.504 412 HA PRO 55 HA PRO 55 -2.701 10.226 4.002 413 HB2 PRO 55 1HB PRO 55 -4.188 11.264 1.981 414 HB3 PRO 55 2HB PRO 55 -3.198 12.260 3.054 415 HG2 PRO 55 1HG PRO 55 -2.593 11.269 0.295 416 HG3 PRO 55 2HG PRO 55 -2.308 12.873 0.994 417 HD2 PRO 55 1HD PRO 55 -0.345 11.023 0.744 418 HD3 PRO 55 2HD PRO 55 -0.385 12.199 2.074 419 H ALA 56 H ALA 56 -3.179 8.072 4.152 420 HA ALA 56 HA ALA 56 -3.395 6.170 2.204 421 HB1 ALA 56 3HB ALA 56 -5.232 6.370 4.585 422 HB2 ALA 56 1HB ALA 56 -4.796 4.909 3.697 423 HB3 ALA 56 2HB ALA 56 -3.577 5.765 4.643 424 H LYS 57 H LYS 57 -5.826 8.547 3.148 425 HA LYS 57 HA LYS 57 -8.059 7.636 1.846 426 HB2 LYS 57 1HB LYS 57 -8.618 10.088 1.497 427 HB3 LYS 57 2HB LYS 57 -8.261 9.600 3.149 428 HG2 LYS 57 1HG LYS 57 -5.870 10.384 2.655 429 HG3 LYS 57 2HG LYS 57 -6.576 11.198 1.257 430 HD2 LYS 57 1HD LYS 57 -7.807 11.576 3.950 431 HD3 LYS 57 2HD LYS 57 -6.330 12.451 3.546 432 HE2 LYS 57 1HE LYS 57 -7.876 13.961 2.814 433 HE3 LYS 57 2HE LYS 57 -7.691 13.003 1.346 434 HZ1 LYS 57 3HZ LYS 57 -9.979 13.196 1.654 435 HZ2 LYS 57 1HZ LYS 57 -9.887 12.928 3.321 436 HZ3 LYS 57 2HZ LYS 57 -9.626 11.651 2.244 437 H PHE 58 H PHE 58 -5.273 9.294 0.457 438 HA PHE 58 HA PHE 58 -6.324 9.683 -2.124 439 HB2 PHE 58 1HB PHE 58 -3.605 9.667 -0.914 440 HB3 PHE 58 2HB PHE 58 -3.713 9.520 -2.666 441 HD1 PHE 58 2HD PHE 58 -4.925 11.621 0.156 442 HD2 PHE 58 1HD PHE 58 -3.875 11.422 -3.965 443 HE1 PHE 58 2HE PHE 58 -5.192 14.059 -0.026 444 HE2 PHE 58 1HE PHE 58 -4.138 13.861 -4.152 445 HZ PHE 58 HZ PHE 58 -4.800 15.183 -2.183 446 H VAL 59 H VAL 59 -4.937 6.911 -0.552 447 HA VAL 59 HA VAL 59 -5.091 5.407 -3.083 448 HB VAL 59 HB VAL 59 -3.441 3.905 -2.292 449 HG11 VAL 59 1HG1 VAL 59 -2.368 5.805 -3.144 450 HG12 VAL 59 2HG1 VAL 59 -2.763 6.773 -1.722 451 HG13 VAL 59 3HG1 VAL 59 -1.557 5.491 -1.609 452 HG21 VAL 59 3HG2 VAL 59 -3.494 5.301 0.380 453 HG22 VAL 59 1HG2 VAL 59 -4.317 3.780 0.033 454 HG23 VAL 59 2HG2 VAL 59 -2.558 3.871 -0.059 455 H GLU 60 H GLU 60 -5.366 2.926 -2.506 456 HA GLU 60 HA GLU 60 -7.535 2.678 -0.532 457 HB2 GLU 60 1HB GLU 60 -8.180 2.748 -3.063 458 HB3 GLU 60 2HB GLU 60 -7.567 1.101 -3.081 459 HG2 GLU 60 1HG GLU 60 -9.922 1.013 -2.765 460 HG3 GLU 60 2HG GLU 60 -9.150 0.552 -1.249 461 H VAL 61 H VAL 61 -7.628 0.780 0.624 462 HA VAL 61 HA VAL 61 -5.185 -0.712 0.801 463 HB VAL 61 HB VAL 61 -7.814 -1.181 2.212 464 HG11 VAL 61 1HG1 VAL 61 -5.071 -2.342 2.545 465 HG12 VAL 61 2HG1 VAL 61 -6.204 -2.274 3.896 466 HG13 VAL 61 3HG1 VAL 61 -6.623 -3.170 2.435 467 HG21 VAL 61 3HG2 VAL 61 -6.000 -0.148 4.025 468 HG22 VAL 61 1HG2 VAL 61 -5.729 0.806 2.567 469 HG23 VAL 61 2HG2 VAL 61 -7.339 0.722 3.279 470 H LEU 62 H LEU 62 -4.934 -2.969 0.530 471 HA LEU 62 HA LEU 62 -7.002 -4.308 -1.066 472 HB2 LEU 62 1HB LEU 62 -4.156 -4.789 -1.765 473 HB3 LEU 62 2HB LEU 62 -5.598 -4.885 -2.773 474 HG LEU 62 HG LEU 62 -4.611 -2.224 -1.828 475 HD11 LEU 62 1HD1 LEU 62 -3.051 -4.011 -3.358 476 HD12 LEU 62 2HD1 LEU 62 -2.747 -2.307 -3.021 477 HD13 LEU 62 3HD1 LEU 62 -3.658 -2.771 -4.457 478 HD21 LEU 62 3HD2 LEU 62 -6.552 -1.822 -2.923 479 HD22 LEU 62 1HD2 LEU 62 -6.448 -3.301 -3.878 480 HD23 LEU 62 2HD2 LEU 62 -5.495 -1.888 -4.335 481 H ASP 63 H ASP 63 -7.587 -6.072 -0.005 482 HA ASP 63 HA ASP 63 -6.026 -7.242 2.062 483 HB2 ASP 63 1HB ASP 63 -8.555 -7.256 1.892 484 HB3 ASP 63 2HB ASP 63 -8.386 -8.510 0.666 485 H GLU 64 H GLU 64 -4.870 -9.141 2.115 486 HA GLU 64 HA GLU 64 -4.371 -10.432 -0.487 487 HB2 GLU 64 1HB GLU 64 -2.412 -9.649 1.666 488 HB3 GLU 64 2HB GLU 64 -2.027 -10.858 0.448 489 HG2 GLU 64 1HG GLU 64 -1.920 -9.329 -1.243 490 HG3 GLU 64 2HG GLU 64 -3.035 -8.213 -0.454 491 H ARG 65 H ARG 65 -4.459 -10.801 3.022 492 HA ARG 65 HA ARG 65 -4.430 -13.716 2.728 493 HB2 ARG 65 1HB ARG 65 -3.922 -13.847 5.040 494 HB3 ARG 65 2HB ARG 65 -2.931 -12.544 4.398 495 HG2 ARG 65 1HG ARG 65 -4.983 -11.076 5.177 496 HG3 ARG 65 2HG ARG 65 -5.227 -12.438 6.272 497 HD2 ARG 65 1HD ARG 65 -2.711 -12.166 6.793 498 HD3 ARG 65 2HD ARG 65 -2.896 -10.568 6.071 499 HE ARG 65 HE ARG 65 -4.913 -10.914 7.978 500 HH11 ARG 65 1HH1 ARG 65 -1.451 -10.585 7.805 501 HH12 ARG 65 2HH1 ARG 65 -1.311 -9.858 9.372 502 HH21 ARG 65 1HH2 ARG 65 -4.742 -9.960 10.043 503 HH22 ARG 65 2HH2 ARG 65 -3.184 -9.504 10.644 504 H SER 66 H SER 66 -6.338 -14.661 2.487 505 HA SER 66 HA SER 66 -8.492 -14.097 4.319 506 HB2 SER 66 1HB SER 66 -8.738 -12.410 2.433 507 HB3 SER 66 2HB SER 66 -9.061 -13.778 1.369 508 HG SER 66 HG SER 66 -10.996 -13.935 2.179 509 H LYS 67 H LYS 67 -10.498 -15.484 3.575 510 HA LYS 67 HA LYS 67 -9.632 -18.180 3.559 511 HB2 LYS 67 1HB LYS 67 -11.967 -18.761 3.563 512 HB3 LYS 67 2HB LYS 67 -11.741 -17.370 4.614 513 HG2 LYS 67 1HG LYS 67 -13.609 -16.729 3.476 514 HG3 LYS 67 2HG LYS 67 -12.359 -16.030 2.444 515 HD2 LYS 67 1HD LYS 67 -12.662 -17.597 0.787 516 HD3 LYS 67 2HD LYS 67 -13.292 -18.811 1.902 517 HE2 LYS 67 1HE LYS 67 -15.092 -18.044 0.518 518 HE3 LYS 67 2HE LYS 67 -15.344 -17.426 2.150 519 HZ1 LYS 67 3HZ LYS 67 -15.092 -15.986 -0.260 520 HZ2 LYS 67 1HZ LYS 67 -13.847 -15.526 0.791 521 HZ3 LYS 67 2HZ LYS 67 -15.461 -15.406 1.286 522 H GLU 68 H GLU 68 -10.360 -19.825 1.978 523 HA GLU 68 HA GLU 68 -9.837 -18.870 -0.732 524 HB2 GLU 68 1HB GLU 68 -8.458 -20.709 0.022 525 HB3 GLU 68 2HB GLU 68 -9.879 -21.652 0.446 526 HG2 GLU 68 1HG GLU 68 -10.497 -21.865 -1.861 527 HG3 GLU 68 2HG GLU 68 -9.202 -20.773 -2.349 528 H TYR 69 H TYR 69 -11.338 -18.795 -2.280 529 HA TYR 69 HA TYR 69 -14.075 -19.365 -1.623 530 HB2 TYR 69 1HB TYR 69 -12.719 -18.322 -4.107 531 HB3 TYR 69 2HB TYR 69 -14.451 -18.627 -4.036 532 HD1 TYR 69 2HD TYR 69 -11.911 -16.953 -1.850 533 HD2 TYR 69 1HD TYR 69 -15.722 -16.738 -3.731 534 HE1 TYR 69 2HE TYR 69 -12.259 -14.722 -0.878 535 HE2 TYR 69 1HE TYR 69 -16.080 -14.505 -2.764 536 HH TYR 69 HH TYR 69 -14.261 -12.562 -1.899 537 H SER 70 H SER 70 -14.525 -21.496 -1.465 538 HA SER 70 HA SER 70 -13.456 -23.449 -3.265 539 HB2 SER 70 1HB SER 70 -15.674 -23.643 -1.213 540 HB3 SER 70 2HB SER 70 -14.991 -25.016 -2.086 541 HG SER 70 HG SER 70 -13.215 -24.898 -0.912 542 H ILE 71 H ILE 71 -15.134 -25.059 -4.258 543 HA ILE 71 HA ILE 71 -17.223 -23.507 -5.639 544 HB ILE 71 HB ILE 71 -16.790 -24.821 -7.676 545 HG12 ILE 71 1HG1 ILE 71 -14.249 -25.766 -6.357 546 HG13 ILE 71 2HG1 ILE 71 -15.716 -26.738 -6.371 547 HG21 ILE 71 1HG2 ILE 71 -15.496 -23.136 -8.318 548 HG22 ILE 71 2HG2 ILE 71 -15.245 -22.724 -6.623 549 HG23 ILE 71 3HG2 ILE 71 -14.124 -23.811 -7.440 550 HD11 ILE 71 3HD1 ILE 71 -14.877 -25.716 -8.988 551 HD12 ILE 71 1HD1 ILE 71 -13.777 -26.871 -8.237 552 HD13 ILE 71 2HD1 ILE 71 -15.459 -27.313 -8.520 553 H ALA 72 H ALA 72 -18.872 -24.955 -6.700 554 HA ALA 72 HA ALA 72 -19.212 -27.600 -5.619 555 HB1 ALA 72 3HB ALA 72 -21.110 -25.424 -4.744 556 HB2 ALA 72 1HB ALA 72 -21.302 -27.149 -4.434 557 HB3 ALA 72 2HB ALA 72 -19.953 -26.268 -3.714 558 H SER 73 H SER 73 -20.760 -28.796 -6.714 559 HA SER 73 HA SER 73 -21.222 -28.474 -9.321 560 HB2 SER 73 1HB SER 73 -21.957 -30.461 -8.081 561 HB3 SER 73 2HB SER 73 -23.281 -29.538 -7.371 562 HG SER 73 HG SER 73 -23.671 -29.145 -9.834 563 H GLY 74 H GLY 74 -22.231 -27.104 -10.641 564 HA2 GLY 74 1HA GLY 74 -24.715 -25.858 -10.018 565 HA3 GLY 74 2HA GLY 74 -23.384 -24.727 -9.831 566 HA PRO 75 HA PRO 75 -24.865 -25.143 -14.337 567 HB2 PRO 75 1HB PRO 75 -26.220 -22.798 -14.523 568 HB3 PRO 75 2HB PRO 75 -26.988 -24.317 -14.045 569 HG2 PRO 75 1HG PRO 75 -26.017 -22.063 -12.329 570 HG3 PRO 75 2HG PRO 75 -27.519 -22.997 -12.206 571 HD2 PRO 75 1HD PRO 75 -25.373 -23.475 -10.627 572 HD3 PRO 75 2HD PRO 75 -26.485 -24.761 -11.142 573 H SER 76 H SER 76 -22.963 -23.263 -12.372 574 HA SER 76 HA SER 76 -22.185 -21.000 -13.555 575 HB2 SER 76 1HB SER 76 -20.473 -23.217 -12.447 576 HB3 SER 76 2HB SER 76 -19.758 -21.716 -13.033 577 HG SER 76 HG SER 76 -20.391 -20.772 -11.273 578 H SER 77 H SER 77 -21.330 -20.290 -15.418 579 HA SER 77 HA SER 77 -21.415 -21.782 -17.745 580 HB2 SER 77 1HB SER 77 -19.978 -19.959 -18.727 581 HB3 SER 77 2HB SER 77 -21.405 -19.383 -17.867 582 HG SER 77 HG SER 77 -19.937 -19.144 -16.014 583 H GLY 78 H GLY 78 -18.992 -21.709 -15.310 584 HA2 GLY 78 1HA GLY 78 -16.857 -22.585 -15.195 585 HA3 GLY 78 2HA GLY 78 -17.622 -23.937 -16.015 Start of MODEL 5 1 H1 GLY 1 H GLY 1 5.050 -10.224 -6.866 2 HA2 GLY 1 1HA GLY 1 5.394 -11.350 -8.998 3 HA3 GLY 1 2HA GLY 1 6.840 -12.074 -8.311 4 H SER 2 H SER 2 6.670 -13.876 -6.995 5 HA SER 2 HA SER 2 4.014 -15.149 -6.998 6 HB2 SER 2 1HB SER 2 6.793 -16.300 -7.178 7 HB3 SER 2 2HB SER 2 5.411 -17.293 -6.719 8 HG SER 2 HG SER 2 4.904 -17.392 -8.745 9 H SER 3 H SER 3 7.040 -15.110 -5.110 10 HA SER 3 HA SER 3 5.897 -16.195 -2.770 11 HB2 SER 3 1HB SER 3 8.375 -14.483 -3.090 12 HB3 SER 3 2HB SER 3 7.961 -15.411 -1.648 13 HG SER 3 HG SER 3 9.287 -16.251 -3.746 14 H GLY 4 H GLY 4 5.691 -15.072 -0.676 15 HA2 GLY 4 1HA GLY 4 5.265 -12.214 -0.706 16 HA3 GLY 4 2HA GLY 4 3.784 -13.151 -0.591 17 H SER 5 H SER 5 5.624 -11.382 1.247 18 HA SER 5 HA SER 5 5.364 -13.160 3.582 19 HB2 SER 5 1HB SER 5 7.346 -11.949 4.549 20 HB3 SER 5 2HB SER 5 7.721 -12.945 3.143 21 HG SER 5 HG SER 5 7.825 -10.206 3.453 22 H SER 6 H SER 6 5.398 -11.826 5.678 23 HA SER 6 HA SER 6 3.161 -10.365 5.991 24 HB2 SER 6 1HB SER 6 4.559 -11.036 7.880 25 HB3 SER 6 2HB SER 6 5.787 -9.859 7.416 26 HG SER 6 HG SER 6 3.128 -9.287 8.232 27 H GLY 7 H GLY 7 2.501 -8.814 4.620 28 HA2 GLY 7 1HA GLY 7 3.565 -6.213 4.779 29 HA3 GLY 7 2HA GLY 7 4.138 -6.963 3.297 30 H ARG 8 H ARG 8 2.350 -4.666 3.673 31 HA ARG 8 HA ARG 8 -0.064 -5.731 2.362 32 HB2 ARG 8 1HB ARG 8 0.346 -3.514 4.312 33 HB3 ARG 8 2HB ARG 8 -0.916 -3.325 3.102 34 HG2 ARG 8 1HG ARG 8 -2.111 -5.178 3.900 35 HG3 ARG 8 2HG ARG 8 -0.736 -5.763 4.840 36 HD2 ARG 8 1HD ARG 8 -2.182 -3.171 5.371 37 HD3 ARG 8 2HD ARG 8 -2.536 -4.688 6.196 38 HE ARG 8 HE ARG 8 0.224 -4.005 6.380 39 HH11 ARG 8 1HH1 ARG 8 -2.921 -3.309 7.702 40 HH12 ARG 8 2HH1 ARG 8 -2.305 -2.796 9.237 41 HH21 ARG 8 1HH2 ARG 8 1.045 -3.333 8.399 42 HH22 ARG 8 2HH2 ARG 8 -0.049 -2.809 9.633 43 H ARG 9 H ARG 9 -1.132 -3.986 0.934 44 HA ARG 9 HA ARG 9 0.753 -2.225 -0.397 45 HB2 ARG 9 1HB ARG 9 -0.620 -4.479 -1.874 46 HB3 ARG 9 2HB ARG 9 0.308 -3.186 -2.624 47 HG2 ARG 9 1HG ARG 9 2.201 -4.050 -1.025 48 HG3 ARG 9 2HG ARG 9 1.244 -5.532 -1.057 49 HD2 ARG 9 1HD ARG 9 1.276 -5.147 -3.641 50 HD3 ARG 9 2HD ARG 9 2.682 -4.147 -3.279 51 HE ARG 9 HE ARG 9 3.878 -6.049 -2.761 52 HH11 ARG 9 1HH1 ARG 9 0.505 -6.827 -3.151 53 HH12 ARG 9 2HH1 ARG 9 0.767 -8.540 -3.156 54 HH21 ARG 9 1HH2 ARG 9 4.234 -8.301 -2.767 55 HH22 ARG 9 2HH2 ARG 9 2.888 -9.378 -2.936 56 H ALA 10 H ALA 10 -0.220 -0.447 -1.188 57 HA ALA 10 HA ALA 10 -3.167 -0.427 -1.227 58 HB1 ALA 10 3HB ALA 10 -1.837 2.172 -1.034 59 HB2 ALA 10 1HB ALA 10 -3.195 1.519 -0.118 60 HB3 ALA 10 2HB ALA 10 -1.542 1.105 0.338 61 H LYS 11 H LYS 11 -4.231 0.512 -2.941 62 HA LYS 11 HA LYS 11 -2.584 0.988 -5.324 63 HB2 LYS 11 1HB LYS 11 -4.206 -0.739 -5.664 64 HB3 LYS 11 2HB LYS 11 -5.492 0.251 -4.985 65 HG2 LYS 11 1HG LYS 11 -5.315 1.781 -6.884 66 HG3 LYS 11 2HG LYS 11 -4.030 0.779 -7.566 67 HD2 LYS 11 1HD LYS 11 -5.840 -0.044 -8.706 68 HD3 LYS 11 2HD LYS 11 -5.834 -1.124 -7.309 69 HE2 LYS 11 1HE LYS 11 -7.654 -0.081 -6.334 70 HE3 LYS 11 2HE LYS 11 -7.399 1.422 -7.219 71 HZ1 LYS 11 3HZ LYS 11 -8.299 -1.119 -8.464 72 HZ2 LYS 11 1HZ LYS 11 -8.186 0.394 -9.214 73 HZ3 LYS 11 2HZ LYS 11 -9.335 0.137 -8.000 74 H ALA 12 H ALA 12 -2.360 2.976 -6.108 75 HA ALA 12 HA ALA 12 -3.551 5.223 -4.850 76 HB1 ALA 12 3HB ALA 12 -2.116 5.168 -7.498 77 HB2 ALA 12 1HB ALA 12 -2.344 6.555 -6.432 78 HB3 ALA 12 2HB ALA 12 -1.308 5.218 -5.931 79 H LEU 13 H LEU 13 -5.460 6.136 -5.207 80 HA LEU 13 HA LEU 13 -7.116 5.210 -7.393 81 HB2 LEU 13 1HB LEU 13 -7.727 7.258 -5.269 82 HB3 LEU 13 2HB LEU 13 -8.887 6.478 -6.342 83 HG LEU 13 HG LEU 13 -7.248 4.866 -4.417 84 HD11 LEU 13 1HD1 LEU 13 -9.686 6.511 -3.847 85 HD12 LEU 13 2HD1 LEU 13 -8.198 6.363 -2.911 86 HD13 LEU 13 3HD1 LEU 13 -9.351 5.028 -2.951 87 HD21 LEU 13 3HD2 LEU 13 -8.595 3.169 -4.994 88 HD22 LEU 13 1HD2 LEU 13 -8.955 4.153 -6.413 89 HD23 LEU 13 2HD2 LEU 13 -10.036 4.188 -5.020 90 H LEU 14 H LEU 14 -4.969 7.767 -6.834 91 HA LEU 14 HA LEU 14 -5.602 8.954 -9.378 92 HB2 LEU 14 1HB LEU 14 -5.868 11.240 -8.464 93 HB3 LEU 14 2HB LEU 14 -7.194 10.151 -8.059 94 HG LEU 14 HG LEU 14 -4.974 10.605 -6.104 95 HD11 LEU 14 1HD1 LEU 14 -6.402 12.411 -5.118 96 HD12 LEU 14 2HD1 LEU 14 -7.317 12.421 -6.627 97 HD13 LEU 14 3HD1 LEU 14 -5.603 12.836 -6.631 98 HD21 LEU 14 3HD2 LEU 14 -7.191 8.991 -6.113 99 HD22 LEU 14 1HD2 LEU 14 -7.743 10.399 -5.206 100 HD23 LEU 14 2HD2 LEU 14 -6.310 9.517 -4.678 101 H ASP 15 H ASP 15 -4.168 11.162 -9.446 102 HA ASP 15 HA ASP 15 -1.468 10.214 -9.113 103 HB2 ASP 15 1HB ASP 15 -0.842 11.889 -10.563 104 HB3 ASP 15 2HB ASP 15 -2.530 11.696 -11.027 105 H PHE 16 H PHE 16 0.088 10.981 -7.741 106 HA PHE 16 HA PHE 16 -0.685 13.067 -5.826 107 HB2 PHE 16 1HB PHE 16 -1.053 10.808 -4.821 108 HB3 PHE 16 2HB PHE 16 0.664 10.480 -5.035 109 HD1 PHE 16 1HD PHE 16 -1.467 13.204 -3.622 110 HD2 PHE 16 2HD PHE 16 1.957 10.717 -3.165 111 HE1 PHE 16 1HE PHE 16 -1.002 14.249 -1.444 112 HE2 PHE 16 2HE PHE 16 2.426 11.756 -0.986 113 HZ PHE 16 HZ PHE 16 0.945 13.524 -0.122 114 H GLU 17 H GLU 17 0.800 14.611 -5.719 115 HA GLU 17 HA GLU 17 3.542 13.975 -6.583 116 HB2 GLU 17 1HB GLU 17 1.885 16.473 -6.786 117 HB3 GLU 17 2HB GLU 17 3.640 16.551 -6.864 118 HG2 GLU 17 1HG GLU 17 3.740 15.454 -8.880 119 HG3 GLU 17 2HG GLU 17 2.183 14.660 -8.646 120 H ARG 18 H ARG 18 4.340 13.324 -4.585 121 HA ARG 18 HA ARG 18 4.007 14.299 -2.099 122 HB2 ARG 18 1HB ARG 18 6.135 13.464 -1.520 123 HB3 ARG 18 2HB ARG 18 5.619 12.485 -2.886 124 HG2 ARG 18 1HG ARG 18 6.952 14.329 -4.239 125 HG3 ARG 18 2HG ARG 18 7.794 14.486 -2.696 126 HD2 ARG 18 1HD ARG 18 9.067 12.856 -3.656 127 HD3 ARG 18 2HD ARG 18 7.853 11.850 -2.869 128 HE ARG 18 HE ARG 18 7.196 11.151 -4.933 129 HH11 ARG 18 1HH1 ARG 18 8.823 14.211 -5.273 130 HH12 ARG 18 2HH1 ARG 18 8.746 14.206 -7.004 131 HH21 ARG 18 1HH2 ARG 18 7.089 11.134 -7.212 132 HH22 ARG 18 2HH2 ARG 18 7.760 12.456 -8.106 133 H HIS 19 H HIS 19 3.992 16.274 -1.272 134 HA HIS 19 HA HIS 19 5.516 18.399 -2.571 135 HB2 HIS 19 1HB HIS 19 3.264 18.369 -0.576 136 HB3 HIS 19 2HB HIS 19 4.201 19.832 -0.869 137 HD1 HIS 19 1HD HIS 19 4.411 20.091 -3.780 138 HD2 HIS 19 2HD HIS 19 0.988 18.548 -2.001 139 HE1 HIS 19 1HE HIS 19 2.575 20.406 -5.469 140 HE2 HIS 19 2HE HIS 19 0.497 19.542 -4.338 141 H ASP 20 H ASP 20 6.822 16.332 -0.946 142 HA ASP 20 HA ASP 20 8.541 18.029 0.555 143 HB2 ASP 20 1HB ASP 20 6.414 17.558 2.034 144 HB3 ASP 20 2HB ASP 20 7.202 16.006 2.305 145 H ASP 21 H ASP 21 10.511 17.113 0.782 146 HA ASP 21 HA ASP 21 11.330 14.962 -0.665 147 HB2 ASP 21 1HB ASP 21 13.079 16.240 0.159 148 HB3 ASP 21 2HB ASP 21 12.429 16.261 1.796 149 H ASP 22 H ASP 22 9.911 14.932 2.534 150 HA ASP 22 HA ASP 22 10.468 12.142 2.993 151 HB2 ASP 22 1HB ASP 22 8.608 14.030 4.455 152 HB3 ASP 22 2HB ASP 22 9.083 12.425 5.006 153 H GLU 23 H GLU 23 7.649 14.081 2.074 154 HA GLU 23 HA GLU 23 5.692 12.127 2.115 155 HB2 GLU 23 1HB GLU 23 6.084 14.557 0.392 156 HB3 GLU 23 2HB GLU 23 4.702 13.497 0.153 157 HG2 GLU 23 1HG GLU 23 4.133 13.841 2.563 158 HG3 GLU 23 2HG GLU 23 5.400 15.066 2.619 159 H LEU 24 H LEU 24 5.044 10.509 0.781 160 HA LEU 24 HA LEU 24 6.924 9.729 -1.318 161 HB2 LEU 24 1HB LEU 24 6.251 8.147 0.510 162 HB3 LEU 24 2HB LEU 24 4.631 8.141 -0.183 163 HG LEU 24 HG LEU 24 5.564 7.195 -2.268 164 HD11 LEU 24 1HD1 LEU 24 8.125 7.123 -0.683 165 HD12 LEU 24 2HD1 LEU 24 7.815 8.039 -2.158 166 HD13 LEU 24 3HD1 LEU 24 7.856 6.275 -2.207 167 HD21 LEU 24 3HD2 LEU 24 5.328 5.913 0.289 168 HD22 LEU 24 1HD2 LEU 24 6.563 5.110 -0.682 169 HD23 LEU 24 2HD2 LEU 24 4.926 5.295 -1.315 170 H GLY 25 H GLY 25 6.478 10.262 -3.347 171 HA2 GLY 25 1HA GLY 25 3.739 10.929 -4.101 172 HA3 GLY 25 2HA GLY 25 5.184 11.223 -5.057 173 H PHE 26 H PHE 26 2.817 10.146 -6.110 174 HA PHE 26 HA PHE 26 3.852 7.838 -7.408 175 HB2 PHE 26 1HB PHE 26 1.858 6.370 -6.679 176 HB3 PHE 26 2HB PHE 26 3.211 6.538 -5.565 177 HD1 PHE 26 1HD PHE 26 -0.282 7.393 -6.211 178 HD2 PHE 26 2HD PHE 26 2.983 7.781 -3.506 179 HE1 PHE 26 1HE PHE 26 -1.827 8.173 -4.462 180 HE2 PHE 26 2HE PHE 26 1.443 8.561 -1.754 181 HZ PHE 26 HZ PHE 26 -0.965 8.757 -2.229 182 H ARG 27 H ARG 27 1.983 6.786 -8.771 183 HA ARG 27 HA ARG 27 0.368 9.002 -9.846 184 HB2 ARG 27 1HB ARG 27 1.611 6.628 -11.239 185 HB3 ARG 27 2HB ARG 27 0.434 7.691 -12.001 186 HG2 ARG 27 1HG ARG 27 2.892 8.862 -10.786 187 HG3 ARG 27 2HG ARG 27 2.986 8.070 -12.359 188 HD2 ARG 27 1HD ARG 27 0.835 10.076 -11.882 189 HD3 ARG 27 2HD ARG 27 2.481 10.644 -12.160 190 HE ARG 27 HE ARG 27 1.941 8.829 -14.169 191 HH11 ARG 27 1HH1 ARG 27 0.649 11.864 -13.055 192 HH12 ARG 27 2HH1 ARG 27 0.110 12.361 -14.623 193 HH21 ARG 27 1HH2 ARG 27 1.235 9.473 -16.241 194 HH22 ARG 27 2HH2 ARG 27 0.443 10.999 -16.435 195 H LYS 28 H LYS 28 -1.552 8.091 -11.192 196 HA LYS 28 HA LYS 28 -3.263 6.731 -9.380 197 HB2 LYS 28 1HB LYS 28 -3.926 8.451 -11.136 198 HB3 LYS 28 2HB LYS 28 -3.782 7.160 -12.321 199 HG2 LYS 28 1HG LYS 28 -5.542 5.921 -11.296 200 HG3 LYS 28 2HG LYS 28 -5.584 7.021 -9.916 201 HD2 LYS 28 1HD LYS 28 -7.362 7.794 -11.157 202 HD3 LYS 28 2HD LYS 28 -6.059 8.828 -11.750 203 HE2 LYS 28 1HE LYS 28 -6.691 6.236 -13.110 204 HE3 LYS 28 2HE LYS 28 -7.643 7.681 -13.450 205 HZ1 LYS 28 3HZ LYS 28 -6.018 8.518 -14.692 206 HZ2 LYS 28 1HZ LYS 28 -5.296 6.988 -14.648 207 HZ3 LYS 28 2HZ LYS 28 -4.828 8.177 -13.541 208 H ASN 29 H ASN 29 -4.142 4.672 -9.476 209 HA ASN 29 HA ASN 29 -4.182 2.428 -9.839 210 HB2 ASN 29 1HB ASN 29 -3.254 3.273 -12.591 211 HB3 ASN 29 2HB ASN 29 -3.772 1.642 -12.174 212 HD21 ASN 29 1HD2 ASN 29 -4.755 4.298 -13.676 213 HD22 ASN 29 2HD2 ASN 29 -6.457 4.226 -13.385 214 H ASP 30 H ASP 30 -1.876 3.540 -8.629 215 HA ASP 30 HA ASP 30 0.239 1.742 -9.614 216 HB2 ASP 30 1HB ASP 30 0.422 4.366 -8.131 217 HB3 ASP 30 2HB ASP 30 1.792 3.276 -8.321 218 H ILE 31 H ILE 31 1.159 0.294 -8.240 219 HA ILE 31 HA ILE 31 -0.186 -0.094 -5.680 220 HB ILE 31 HB ILE 31 1.805 -1.903 -7.051 221 HG12 ILE 31 1HG1 ILE 31 -0.223 -1.566 -8.416 222 HG13 ILE 31 2HG1 ILE 31 -0.123 -3.209 -7.791 223 HG21 ILE 31 1HG2 ILE 31 0.189 -3.437 -5.447 224 HG22 ILE 31 2HG2 ILE 31 1.816 -2.890 -5.047 225 HG23 ILE 31 3HG2 ILE 31 0.416 -1.975 -4.490 226 HD11 ILE 31 3HD1 ILE 31 -1.845 -0.991 -6.711 227 HD12 ILE 31 1HD1 ILE 31 -2.384 -2.389 -7.641 228 HD13 ILE 31 2HD1 ILE 31 -1.716 -2.610 -6.025 229 H ILE 32 H ILE 32 0.721 0.347 -3.779 230 HA ILE 32 HA ILE 32 3.635 0.767 -3.679 231 HB ILE 32 HB ILE 32 1.549 2.371 -2.197 232 HG12 ILE 32 1HG1 ILE 32 3.491 3.545 -4.142 233 HG13 ILE 32 2HG1 ILE 32 2.074 2.710 -4.771 234 HG21 ILE 32 1HG2 ILE 32 4.557 2.573 -2.212 235 HG22 ILE 32 2HG2 ILE 32 3.466 3.731 -1.454 236 HG23 ILE 32 3HG2 ILE 32 3.541 2.072 -0.859 237 HD11 ILE 32 3HD1 ILE 32 0.638 4.304 -4.028 238 HD12 ILE 32 1HD1 ILE 32 1.656 4.745 -2.657 239 HD13 ILE 32 2HD1 ILE 32 2.073 5.299 -4.278 240 H THR 33 H THR 33 4.687 -0.313 -2.134 241 HA THR 33 HA THR 33 3.279 -2.168 -0.478 242 HB THR 33 HB THR 33 6.206 -1.421 -0.566 243 HG1 THR 33 1HG THR 33 4.615 -3.437 -1.751 244 HG21 THR 33 3HG2 THR 33 5.822 -3.992 0.541 245 HG22 THR 33 1HG2 THR 33 4.759 -2.890 1.415 246 HG23 THR 33 2HG2 THR 33 6.488 -2.561 1.325 247 H ILE 34 H ILE 34 2.795 -2.070 1.650 248 HA ILE 34 HA ILE 34 3.213 0.498 2.985 249 HB ILE 34 HB ILE 34 1.441 -1.820 3.766 250 HG12 ILE 34 1HG1 ILE 34 0.849 0.821 2.419 251 HG13 ILE 34 2HG1 ILE 34 0.619 -0.791 1.748 252 HG21 ILE 34 1HG2 ILE 34 0.889 -0.746 5.659 253 HG22 ILE 34 2HG2 ILE 34 2.431 0.079 5.433 254 HG23 ILE 34 3HG2 ILE 34 0.935 0.841 4.891 255 HD11 ILE 34 3HD1 ILE 34 -1.490 -0.593 2.407 256 HD12 ILE 34 1HD1 ILE 34 -0.888 -0.849 4.045 257 HD13 ILE 34 2HD1 ILE 34 -1.124 0.790 3.438 258 H ILE 35 H ILE 35 4.869 0.706 4.323 259 HA ILE 35 HA ILE 35 6.150 -1.649 5.452 260 HB ILE 35 HB ILE 35 6.969 1.234 5.799 261 HG12 ILE 35 1HG1 ILE 35 6.800 0.457 3.386 262 HG13 ILE 35 2HG1 ILE 35 8.382 1.034 3.898 263 HG21 ILE 35 1HG2 ILE 35 9.225 -0.300 5.856 264 HG22 ILE 35 2HG2 ILE 35 8.347 0.265 7.275 265 HG23 ILE 35 3HG2 ILE 35 8.047 -1.351 6.641 266 HD11 ILE 35 3HD1 ILE 35 9.241 -0.849 3.132 267 HD12 ILE 35 1HD1 ILE 35 8.380 -1.713 4.405 268 HD13 ILE 35 2HD1 ILE 35 7.636 -1.509 2.819 269 H SER 36 H SER 36 4.985 1.481 6.715 270 HA SER 36 HA SER 36 4.050 0.105 9.122 271 HB2 SER 36 1HB SER 36 6.442 1.233 9.302 272 HB3 SER 36 2HB SER 36 5.484 2.699 9.506 273 HG SER 36 HG SER 36 5.097 2.084 11.467 274 H GLN 37 H GLN 37 2.850 1.776 10.564 275 HA GLN 37 HA GLN 37 1.361 3.656 8.858 276 HB2 GLN 37 1HB GLN 37 0.233 1.687 10.850 277 HB3 GLN 37 2HB GLN 37 -0.690 3.023 10.174 278 HG2 GLN 37 1HG GLN 37 -0.478 2.119 7.959 279 HG3 GLN 37 2HG GLN 37 0.594 0.846 8.543 280 HE21 GLN 37 1HE2 GLN 37 -2.100 0.866 7.202 281 HE22 GLN 37 2HE2 GLN 37 -3.082 -0.153 8.195 282 H LYS 38 H LYS 38 2.673 5.322 9.745 283 HA LYS 38 HA LYS 38 3.076 5.847 12.443 284 HB2 LYS 38 1HB LYS 38 2.979 7.583 10.002 285 HB3 LYS 38 2HB LYS 38 3.157 8.315 11.592 286 HG2 LYS 38 1HG LYS 38 4.983 6.119 10.696 287 HG3 LYS 38 2HG LYS 38 5.268 7.798 10.228 288 HD2 LYS 38 1HD LYS 38 4.896 6.923 13.086 289 HD3 LYS 38 2HD LYS 38 6.474 7.013 12.303 290 HE2 LYS 38 1HE LYS 38 5.922 9.418 11.758 291 HE3 LYS 38 2HE LYS 38 4.538 9.255 12.836 292 HZ1 LYS 38 3HZ LYS 38 7.375 8.840 13.612 293 HZ2 LYS 38 1HZ LYS 38 6.037 8.719 14.643 294 HZ3 LYS 38 2HZ LYS 38 6.451 10.214 13.966 295 H ASP 39 H ASP 39 0.421 6.853 10.325 296 HA ASP 39 HA ASP 39 -1.231 7.294 12.698 297 HB2 ASP 39 1HB ASP 39 -1.173 9.303 10.446 298 HB3 ASP 39 2HB ASP 39 -2.004 9.440 11.994 299 H GLU 40 H GLU 40 -3.352 6.754 12.436 300 HA GLU 40 HA GLU 40 -4.181 4.895 10.664 301 HB2 GLU 40 1HB GLU 40 -5.861 7.106 11.854 302 HB3 GLU 40 2HB GLU 40 -6.516 5.672 11.078 303 HG2 GLU 40 1HG GLU 40 -5.226 4.319 12.776 304 HG3 GLU 40 2HG GLU 40 -4.934 5.837 13.623 305 H HIS 41 H HIS 41 -4.229 8.384 10.160 306 HA HIS 41 HA HIS 41 -5.426 8.099 7.530 307 HB2 HIS 41 1HB HIS 41 -4.702 10.383 9.307 308 HB3 HIS 41 2HB HIS 41 -4.816 10.686 7.576 309 HD1 HIS 41 1HD HIS 41 -7.062 11.375 6.830 310 HD2 HIS 41 2HD HIS 41 -7.232 9.044 10.265 311 HE1 HIS 41 1HE HIS 41 -9.495 11.283 7.461 312 HE2 HIS 41 2HE HIS 41 -9.563 9.938 9.590 313 H CYS 42 H CYS 42 -2.305 8.948 8.951 314 HA CYS 42 HA CYS 42 -1.119 9.091 6.275 315 HB2 CYS 42 1HB CYS 42 0.095 9.782 8.959 316 HB3 CYS 42 2HB CYS 42 0.838 10.054 7.388 317 HG CYS 42 HG CYS 42 -1.575 11.707 6.726 318 H TRP 43 H TRP 43 -0.301 7.284 5.472 319 HA TRP 43 HA TRP 43 0.822 5.295 7.332 320 HB2 TRP 43 1HB TRP 43 -0.448 4.938 4.613 321 HB3 TRP 43 2HB TRP 43 0.408 3.655 5.464 322 HD1 TRP 43 HD TRP 43 -1.029 4.947 8.317 323 HE1 TRP 43 1HE TRP 43 -3.386 4.045 8.830 324 HE3 TRP 43 3HE TRP 43 -2.220 3.117 3.695 325 HZ2 TRP 43 2HZ TRP 43 -5.473 2.731 7.456 326 HZ3 TRP 43 3HZ TRP 43 -4.416 2.053 3.378 327 HH2 TRP 43 HH TRP 43 -6.007 1.865 5.221 328 H VAL 44 H VAL 44 2.666 4.051 6.545 329 HA VAL 44 HA VAL 44 4.377 5.656 4.758 330 HB VAL 44 HB VAL 44 5.118 3.974 7.149 331 HG11 VAL 44 1HG1 VAL 44 6.918 3.415 5.897 332 HG12 VAL 44 2HG1 VAL 44 6.726 4.790 4.808 333 HG13 VAL 44 3HG1 VAL 44 7.470 5.015 6.393 334 HG21 VAL 44 3HG2 VAL 44 5.173 5.907 8.239 335 HG22 VAL 44 1HG2 VAL 44 6.307 6.567 7.061 336 HG23 VAL 44 2HG2 VAL 44 4.570 6.721 6.796 337 H GLY 45 H GLY 45 4.675 4.728 2.847 338 HA2 GLY 45 1HA GLY 45 4.771 1.775 2.732 339 HA3 GLY 45 2HA GLY 45 4.114 2.777 1.445 340 H GLU 46 H GLU 46 5.622 1.557 0.093 341 HA GLU 46 HA GLU 46 8.162 2.969 -0.094 342 HB2 GLU 46 1HB GLU 46 8.282 0.689 1.251 343 HB3 GLU 46 2HB GLU 46 8.294 0.000 -0.367 344 HG2 GLU 46 1HG GLU 46 10.353 0.835 -0.866 345 HG3 GLU 46 2HG GLU 46 10.181 2.214 0.219 346 H LEU 47 H LEU 47 8.446 3.580 -2.128 347 HA LEU 47 HA LEU 47 7.732 1.811 -4.318 348 HB2 LEU 47 1HB LEU 47 5.719 3.230 -3.747 349 HB3 LEU 47 2HB LEU 47 6.667 4.624 -4.264 350 HG LEU 47 HG LEU 47 6.898 3.147 -6.469 351 HD11 LEU 47 1HD1 LEU 47 4.832 1.836 -4.932 352 HD12 LEU 47 2HD1 LEU 47 5.619 1.332 -6.426 353 HD13 LEU 47 3HD1 LEU 47 4.226 2.410 -6.486 354 HD21 LEU 47 3HD2 LEU 47 5.310 4.553 -7.452 355 HD22 LEU 47 1HD2 LEU 47 5.899 5.469 -6.066 356 HD23 LEU 47 2HD2 LEU 47 4.343 4.644 -5.980 357 H ASN 48 H ASN 48 8.813 2.269 -6.247 358 HA ASN 48 HA ASN 48 10.692 2.849 -7.411 359 HB2 ASN 48 1HB ASN 48 9.592 5.501 -6.494 360 HB3 ASN 48 2HB ASN 48 10.987 5.396 -7.563 361 HD21 ASN 48 1HD2 ASN 48 7.577 5.048 -7.267 362 HD22 ASN 48 2HD2 ASN 48 7.242 4.783 -8.941 363 H GLY 49 H GLY 49 11.200 2.045 -4.715 364 HA2 GLY 49 1HA GLY 49 13.008 1.919 -3.301 365 HA3 GLY 49 2HA GLY 49 13.893 2.891 -4.467 366 H LEU 50 H LEU 50 10.924 3.947 -2.937 367 HA LEU 50 HA LEU 50 12.477 5.823 -1.285 368 HB2 LEU 50 1HB LEU 50 9.925 6.511 -2.727 369 HB3 LEU 50 2HB LEU 50 10.951 7.600 -1.796 370 HG LEU 50 HG LEU 50 11.731 6.282 -4.397 371 HD11 LEU 50 1HD1 LEU 50 10.358 8.813 -3.758 372 HD12 LEU 50 2HD1 LEU 50 10.296 7.820 -5.213 373 HD13 LEU 50 3HD1 LEU 50 11.661 8.903 -4.943 374 HD21 LEU 50 3HD2 LEU 50 13.116 8.595 -3.101 375 HD22 LEU 50 1HD2 LEU 50 13.726 7.455 -4.300 376 HD23 LEU 50 2HD2 LEU 50 13.505 6.939 -2.628 377 H ARG 51 H ARG 51 11.897 5.887 0.790 378 HA ARG 51 HA ARG 51 9.341 4.629 1.546 379 HB2 ARG 51 1HB ARG 51 11.709 3.674 2.257 380 HB3 ARG 51 2HB ARG 51 11.579 4.911 3.500 381 HG2 ARG 51 1HG ARG 51 9.224 3.852 3.894 382 HG3 ARG 51 2HG ARG 51 9.945 2.457 3.088 383 HD2 ARG 51 1HD ARG 51 10.409 2.034 5.314 384 HD3 ARG 51 2HD ARG 51 11.891 2.816 4.765 385 HE ARG 51 HE ARG 51 10.026 4.692 5.830 386 HH11 ARG 51 1HH1 ARG 51 12.420 2.319 6.702 387 HH12 ARG 51 2HH1 ARG 51 12.788 3.058 8.224 388 HH21 ARG 51 1HH2 ARG 51 10.500 5.674 7.833 389 HH22 ARG 51 2HH2 ARG 51 11.693 4.966 8.867 390 H GLY 52 H GLY 52 7.912 6.207 1.933 391 HA2 GLY 52 1HA GLY 52 8.606 8.208 3.949 392 HA3 GLY 52 2HA GLY 52 8.063 8.799 2.387 393 H TRP 53 H TRP 53 6.421 9.790 3.887 394 HA TRP 53 HA TRP 53 4.291 7.906 4.606 395 HB2 TRP 53 1HB TRP 53 3.513 9.470 6.153 396 HB3 TRP 53 2HB TRP 53 5.260 9.681 6.231 397 HD1 TRP 53 HD TRP 53 6.269 11.952 5.231 398 HE1 TRP 53 1HE TRP 53 5.188 14.230 4.718 399 HE3 TRP 53 3HE TRP 53 1.352 10.556 5.332 400 HZ2 TRP 53 2HZ TRP 53 2.593 15.295 4.398 401 HZ3 TRP 53 3HZ TRP 53 -0.367 12.265 4.914 402 HH2 TRP 53 HH TRP 53 0.242 14.585 4.457 403 H PHE 54 H PHE 54 2.025 8.726 4.258 404 HA PHE 54 HA PHE 54 1.443 10.664 2.300 405 HB2 PHE 54 1HB PHE 54 0.874 9.282 0.394 406 HB3 PHE 54 2HB PHE 54 2.558 9.004 0.823 407 HD1 PHE 54 1HD PHE 54 -0.843 7.619 1.451 408 HD2 PHE 54 2HD PHE 54 3.320 6.839 1.019 409 HE1 PHE 54 1HE PHE 54 -1.284 5.203 1.591 410 HE2 PHE 54 2HE PHE 54 2.884 4.422 1.157 411 HZ PHE 54 HZ PHE 54 0.581 3.601 1.442 412 HA PRO 55 HA PRO 55 -2.565 10.049 3.985 413 HB2 PRO 55 1HB PRO 55 -4.111 11.049 1.991 414 HB3 PRO 55 2HB PRO 55 -3.130 12.069 3.049 415 HG2 PRO 55 1HG PRO 55 -2.545 11.098 0.279 416 HG3 PRO 55 2HG PRO 55 -2.289 12.708 0.977 417 HD2 PRO 55 1HD PRO 55 -0.286 10.910 0.689 418 HD3 PRO 55 2HD PRO 55 -0.333 12.081 2.022 419 H ALA 56 H ALA 56 -3.319 8.028 4.197 420 HA ALA 56 HA ALA 56 -3.421 6.067 2.223 421 HB1 ALA 56 3HB ALA 56 -4.631 4.747 3.755 422 HB2 ALA 56 1HB ALA 56 -3.583 5.772 4.736 423 HB3 ALA 56 2HB ALA 56 -5.297 6.162 4.570 424 H LYS 57 H LYS 57 -5.772 8.506 3.139 425 HA LYS 57 HA LYS 57 -8.054 7.544 1.905 426 HB2 LYS 57 1HB LYS 57 -8.799 9.864 1.774 427 HB3 LYS 57 2HB LYS 57 -8.012 9.553 3.316 428 HG2 LYS 57 1HG LYS 57 -5.993 10.642 2.536 429 HG3 LYS 57 2HG LYS 57 -6.722 10.896 0.948 430 HD2 LYS 57 1HD LYS 57 -8.597 12.068 2.415 431 HD3 LYS 57 2HD LYS 57 -7.244 12.275 3.530 432 HE2 LYS 57 1HE LYS 57 -5.976 13.446 1.866 433 HE3 LYS 57 2HE LYS 57 -7.179 13.087 0.629 434 HZ1 LYS 57 3HZ LYS 57 -7.481 15.322 1.364 435 HZ2 LYS 57 1HZ LYS 57 -7.528 14.852 2.989 436 HZ3 LYS 57 2HZ LYS 57 -8.782 14.410 1.945 437 H PHE 58 H PHE 58 -5.220 9.029 0.497 438 HA PHE 58 HA PHE 58 -6.332 9.537 -2.066 439 HB2 PHE 58 1HB PHE 58 -3.600 9.478 -0.891 440 HB3 PHE 58 2HB PHE 58 -3.726 9.342 -2.641 441 HD1 PHE 58 2HD PHE 58 -4.905 11.442 0.197 442 HD2 PHE 58 1HD PHE 58 -3.859 11.255 -3.924 443 HE1 PHE 58 2HE PHE 58 -5.144 13.885 0.029 444 HE2 PHE 58 1HE PHE 58 -4.096 13.697 -4.099 445 HZ PHE 58 HZ PHE 58 -4.740 15.015 -2.122 446 H VAL 59 H VAL 59 -4.884 6.745 -0.559 447 HA VAL 59 HA VAL 59 -5.140 5.262 -3.093 448 HB VAL 59 HB VAL 59 -3.472 3.738 -2.358 449 HG11 VAL 59 1HG1 VAL 59 -2.794 6.621 -1.910 450 HG12 VAL 59 2HG1 VAL 59 -1.570 5.366 -1.713 451 HG13 VAL 59 3HG1 VAL 59 -2.380 5.574 -3.267 452 HG21 VAL 59 3HG2 VAL 59 -2.403 3.958 -0.115 453 HG22 VAL 59 1HG2 VAL 59 -3.659 5.118 0.316 454 HG23 VAL 59 2HG2 VAL 59 -4.089 3.449 -0.059 455 H GLU 60 H GLU 60 -5.438 2.792 -2.574 456 HA GLU 60 HA GLU 60 -7.493 2.506 -0.486 457 HB2 GLU 60 1HB GLU 60 -8.442 2.717 -2.823 458 HB3 GLU 60 2HB GLU 60 -7.647 1.194 -3.199 459 HG2 GLU 60 1HG GLU 60 -10.051 0.986 -2.622 460 HG3 GLU 60 2HG GLU 60 -8.976 0.018 -1.617 461 H VAL 61 H VAL 61 -7.233 0.808 0.819 462 HA VAL 61 HA VAL 61 -4.919 -0.793 0.711 463 HB VAL 61 HB VAL 61 -7.440 -1.392 2.260 464 HG11 VAL 61 1HG1 VAL 61 -4.674 -2.447 2.274 465 HG12 VAL 61 2HG1 VAL 61 -5.452 -2.213 3.841 466 HG13 VAL 61 3HG1 VAL 61 -6.199 -3.256 2.629 467 HG21 VAL 61 3HG2 VAL 61 -5.984 0.929 2.422 468 HG22 VAL 61 1HG2 VAL 61 -6.992 0.258 3.704 469 HG23 VAL 61 2HG2 VAL 61 -5.260 -0.071 3.682 470 H LEU 62 H LEU 62 -4.676 -3.029 0.342 471 HA LEU 62 HA LEU 62 -6.846 -4.333 -1.148 472 HB2 LEU 62 1HB LEU 62 -4.051 -4.792 -2.035 473 HB3 LEU 62 2HB LEU 62 -5.552 -4.861 -2.954 474 HG LEU 62 HG LEU 62 -4.592 -2.207 -2.000 475 HD11 LEU 62 1HD1 LEU 62 -3.482 -3.611 -4.428 476 HD12 LEU 62 2HD1 LEU 62 -2.592 -3.285 -2.940 477 HD13 LEU 62 3HD1 LEU 62 -3.163 -1.946 -3.937 478 HD21 LEU 62 3HD2 LEU 62 -6.392 -3.321 -4.046 479 HD22 LEU 62 1HD2 LEU 62 -5.443 -1.919 -4.543 480 HD23 LEU 62 2HD2 LEU 62 -6.499 -1.816 -3.134 481 H ASP 63 H ASP 63 -7.219 -6.375 -0.550 482 HA ASP 63 HA ASP 63 -5.182 -7.723 1.099 483 HB2 ASP 63 1HB ASP 63 -7.137 -7.038 2.429 484 HB3 ASP 63 2HB ASP 63 -8.191 -7.933 1.339 485 H GLU 64 H GLU 64 -4.261 -8.942 -0.515 486 HA GLU 64 HA GLU 64 -6.024 -10.701 -2.068 487 HB2 GLU 64 1HB GLU 64 -3.091 -10.069 -2.443 488 HB3 GLU 64 2HB GLU 64 -4.054 -11.101 -3.492 489 HG2 GLU 64 1HG GLU 64 -4.956 -8.309 -3.011 490 HG3 GLU 64 2HG GLU 64 -3.596 -8.593 -4.095 491 H ARG 65 H ARG 65 -5.237 -12.943 -2.439 492 HA ARG 65 HA ARG 65 -4.753 -15.010 -1.624 493 HB2 ARG 65 1HB ARG 65 -2.567 -13.521 -0.158 494 HB3 ARG 65 2HB ARG 65 -2.642 -15.262 -0.391 495 HG2 ARG 65 1HG ARG 65 -2.649 -13.414 -2.741 496 HG3 ARG 65 2HG ARG 65 -1.141 -13.848 -1.935 497 HD2 ARG 65 1HD ARG 65 -1.332 -16.090 -2.507 498 HD3 ARG 65 2HD ARG 65 -3.071 -15.973 -2.779 499 HE ARG 65 HE ARG 65 -0.977 -15.415 -4.669 500 HH11 ARG 65 1HH1 ARG 65 -4.291 -14.802 -3.797 501 HH12 ARG 65 2HH1 ARG 65 -4.776 -14.392 -5.410 502 HH21 ARG 65 1HH2 ARG 65 -1.602 -14.876 -6.795 503 HH22 ARG 65 2HH2 ARG 65 -3.246 -14.435 -7.114 504 H SER 66 H SER 66 -6.786 -13.623 -0.291 505 HA SER 66 HA SER 66 -6.458 -13.761 2.541 506 HB2 SER 66 1HB SER 66 -8.166 -12.381 1.110 507 HB3 SER 66 2HB SER 66 -9.149 -13.841 1.216 508 HG SER 66 HG SER 66 -9.660 -13.237 3.150 509 H LYS 67 H LYS 67 -8.487 -15.682 0.319 510 HA LYS 67 HA LYS 67 -8.270 -17.923 2.221 511 HB2 LYS 67 1HB LYS 67 -10.567 -16.822 1.724 512 HB3 LYS 67 2HB LYS 67 -10.466 -17.669 0.186 513 HG2 LYS 67 1HG LYS 67 -10.106 -19.783 1.542 514 HG3 LYS 67 2HG LYS 67 -10.603 -18.836 2.947 515 HD2 LYS 67 1HD LYS 67 -12.745 -18.381 1.946 516 HD3 LYS 67 2HD LYS 67 -12.248 -19.152 0.437 517 HE2 LYS 67 1HE LYS 67 -12.186 -20.695 2.997 518 HE3 LYS 67 2HE LYS 67 -13.715 -20.459 2.152 519 HZ1 LYS 67 3HZ LYS 67 -12.400 -21.314 0.124 520 HZ2 LYS 67 1HZ LYS 67 -12.942 -22.429 1.275 521 HZ3 LYS 67 2HZ LYS 67 -11.324 -21.937 1.273 522 H GLU 68 H GLU 68 -7.993 -20.024 1.390 523 HA GLU 68 HA GLU 68 -7.061 -20.123 -1.404 524 HB2 GLU 68 1HB GLU 68 -5.339 -21.667 -0.776 525 HB3 GLU 68 2HB GLU 68 -5.225 -20.270 0.285 526 HG2 GLU 68 1HG GLU 68 -6.710 -22.745 1.090 527 HG3 GLU 68 2HG GLU 68 -4.972 -22.581 1.326 528 H TYR 69 H TYR 69 -7.393 -22.084 -2.542 529 HA TYR 69 HA TYR 69 -9.465 -23.818 -1.362 530 HB2 TYR 69 1HB TYR 69 -9.227 -22.661 -4.124 531 HB3 TYR 69 2HB TYR 69 -10.124 -24.151 -3.854 532 HD1 TYR 69 2HD TYR 69 -9.869 -20.827 -2.149 533 HD2 TYR 69 1HD TYR 69 -12.400 -23.845 -3.756 534 HE1 TYR 69 2HE TYR 69 -11.842 -19.512 -1.496 535 HE2 TYR 69 1HE TYR 69 -14.380 -22.537 -3.109 536 HH TYR 69 HH TYR 69 -14.159 -19.752 -1.075 537 H SER 70 H SER 70 -8.701 -25.782 -0.991 538 HA SER 70 HA SER 70 -6.285 -26.771 -2.076 539 HB2 SER 70 1HB SER 70 -7.017 -28.946 -1.029 540 HB3 SER 70 2HB SER 70 -7.002 -27.569 0.073 541 HG SER 70 HG SER 70 -9.083 -29.127 -0.725 542 H ILE 71 H ILE 71 -5.870 -27.861 -3.888 543 HA ILE 71 HA ILE 71 -8.108 -29.093 -5.345 544 HB ILE 71 HB ILE 71 -5.923 -27.422 -6.593 545 HG12 ILE 71 1HG1 ILE 71 -8.838 -26.834 -6.868 546 HG13 ILE 71 2HG1 ILE 71 -8.039 -26.397 -5.363 547 HG21 ILE 71 1HG2 ILE 71 -8.179 -28.990 -7.829 548 HG22 ILE 71 2HG2 ILE 71 -7.199 -27.808 -8.694 549 HG23 ILE 71 3HG2 ILE 71 -6.449 -29.262 -8.036 550 HD11 ILE 71 3HD1 ILE 71 -6.897 -25.560 -7.994 551 HD12 ILE 71 1HD1 ILE 71 -8.205 -24.651 -7.238 552 HD13 ILE 71 2HD1 ILE 71 -6.664 -24.847 -6.400 553 H ALA 72 H ALA 72 -7.707 -31.068 -6.168 554 HA ALA 72 HA ALA 72 -4.933 -32.059 -6.035 555 HB1 ALA 72 3HB ALA 72 -5.693 -33.539 -4.556 556 HB2 ALA 72 1HB ALA 72 -7.372 -33.109 -4.878 557 HB3 ALA 72 2HB ALA 72 -6.556 -34.296 -5.894 558 H SER 73 H SER 73 -4.539 -33.963 -7.485 559 HA SER 73 HA SER 73 -5.809 -33.457 -10.087 560 HB2 SER 73 1HB SER 73 -3.281 -33.216 -9.782 561 HB3 SER 73 2HB SER 73 -3.239 -34.973 -9.631 562 HG SER 73 HG SER 73 -4.593 -33.869 -11.811 563 H GLY 74 H GLY 74 -7.583 -34.773 -10.077 564 HA2 GLY 74 1HA GLY 74 -7.760 -37.199 -11.017 565 HA3 GLY 74 2HA GLY 74 -7.208 -37.604 -9.398 566 HA PRO 75 HA PRO 75 -11.330 -37.594 -7.923 567 HB2 PRO 75 1HB PRO 75 -11.043 -36.596 -5.415 568 HB3 PRO 75 2HB PRO 75 -10.495 -38.212 -5.874 569 HG2 PRO 75 1HG PRO 75 -8.918 -35.682 -5.608 570 HG3 PRO 75 2HG PRO 75 -8.503 -37.321 -5.074 571 HD2 PRO 75 1HD PRO 75 -7.508 -36.235 -7.345 572 HD3 PRO 75 2HD PRO 75 -7.827 -37.973 -7.178 573 H SER 76 H SER 76 -12.165 -35.999 -9.385 574 HA SER 76 HA SER 76 -12.136 -33.218 -8.583 575 HB2 SER 76 1HB SER 76 -13.430 -32.834 -10.633 576 HB3 SER 76 2HB SER 76 -12.006 -33.818 -10.969 577 HG SER 76 HG SER 76 -14.648 -34.789 -10.588 578 H SER 77 H SER 77 -14.407 -32.090 -8.854 579 HA SER 77 HA SER 77 -16.054 -33.188 -6.752 580 HB2 SER 77 1HB SER 77 -15.695 -30.821 -6.680 581 HB3 SER 77 2HB SER 77 -16.203 -30.631 -8.358 582 HG SER 77 HG SER 77 -17.712 -30.355 -6.292 583 H GLY 78 H GLY 78 -18.390 -33.415 -6.952 584 HA2 GLY 78 1HA GLY 78 -20.052 -34.715 -7.937 585 HA3 GLY 78 2HA GLY 78 -20.039 -33.357 -9.052 Start of MODEL 6 1 H1 GLY 1 H GLY 1 15.294 -7.924 10.943 2 HA2 GLY 1 1HA GLY 1 13.737 -6.072 9.253 3 HA3 GLY 1 2HA GLY 1 13.774 -7.818 9.050 4 H SER 2 H SER 2 11.349 -6.968 9.072 5 HA SER 2 HA SER 2 10.344 -7.056 11.831 6 HB2 SER 2 1HB SER 2 8.874 -6.274 9.303 7 HB3 SER 2 2HB SER 2 8.264 -6.140 10.951 8 HG SER 2 HG SER 2 10.208 -4.613 9.636 9 H SER 3 H SER 3 10.133 -9.147 12.394 10 HA SER 3 HA SER 3 9.279 -11.168 10.546 11 HB2 SER 3 1HB SER 3 9.300 -12.646 12.561 12 HB3 SER 3 2HB SER 3 10.816 -11.780 12.314 13 HG SER 3 HG SER 3 9.047 -11.640 14.387 14 H GLY 4 H GLY 4 7.840 -9.805 13.516 15 HA2 GLY 4 1HA GLY 4 5.277 -11.012 12.885 16 HA3 GLY 4 2HA GLY 4 5.659 -10.048 14.305 17 H SER 5 H SER 5 5.634 -9.513 10.776 18 HA SER 5 HA SER 5 3.767 -7.296 11.178 19 HB2 SER 5 1HB SER 5 6.552 -7.085 10.132 20 HB3 SER 5 2HB SER 5 5.308 -6.092 9.372 21 HG SER 5 HG SER 5 6.467 -5.870 11.849 22 H SER 6 H SER 6 2.115 -7.591 9.853 23 HA SER 6 HA SER 6 2.345 -9.347 7.571 24 HB2 SER 6 1HB SER 6 -0.065 -9.110 7.381 25 HB3 SER 6 2HB SER 6 0.357 -9.383 9.071 26 HG SER 6 HG SER 6 -0.135 -6.842 7.904 27 H GLY 7 H GLY 7 3.151 -8.595 5.726 28 HA2 GLY 7 1HA GLY 7 3.236 -5.832 5.052 29 HA3 GLY 7 2HA GLY 7 3.661 -7.170 3.995 30 H ARG 8 H ARG 8 1.953 -4.598 3.807 31 HA ARG 8 HA ARG 8 -0.312 -5.902 2.452 32 HB2 ARG 8 1HB ARG 8 -0.741 -4.584 4.699 33 HB3 ARG 8 2HB ARG 8 -0.640 -3.181 3.642 34 HG2 ARG 8 1HG ARG 8 -2.572 -3.700 2.535 35 HG3 ARG 8 2HG ARG 8 -2.421 -5.429 2.855 36 HD2 ARG 8 1HD ARG 8 -2.902 -4.951 5.255 37 HD3 ARG 8 2HD ARG 8 -3.219 -3.276 4.806 38 HE ARG 8 HE ARG 8 -4.870 -4.644 3.177 39 HH11 ARG 8 1HH1 ARG 8 -4.308 -4.763 6.610 40 HH12 ARG 8 2HH1 ARG 8 -5.929 -5.239 6.990 41 HH21 ARG 8 1HH2 ARG 8 -7.008 -5.272 3.664 42 HH22 ARG 8 2HH2 ARG 8 -7.464 -5.530 5.315 43 H ARG 9 H ARG 9 -1.389 -4.312 0.879 44 HA ARG 9 HA ARG 9 0.527 -2.465 -0.332 45 HB2 ARG 9 1HB ARG 9 -0.885 -4.597 -1.942 46 HB3 ARG 9 2HB ARG 9 0.274 -3.416 -2.536 47 HG2 ARG 9 1HG ARG 9 2.013 -4.458 -1.134 48 HG3 ARG 9 2HG ARG 9 0.841 -5.680 -0.635 49 HD2 ARG 9 1HD ARG 9 0.554 -5.976 -3.237 50 HD3 ARG 9 2HD ARG 9 2.174 -5.279 -3.269 51 HE ARG 9 HE ARG 9 1.421 -7.901 -2.325 52 HH11 ARG 9 1HH1 ARG 9 3.824 -5.381 -2.268 53 HH12 ARG 9 2HH1 ARG 9 5.116 -6.445 -1.825 54 HH21 ARG 9 1HH2 ARG 9 3.116 -9.311 -1.742 55 HH22 ARG 9 2HH2 ARG 9 4.714 -8.681 -1.526 56 H ALA 10 H ALA 10 -0.407 -0.666 -1.110 57 HA ALA 10 HA ALA 10 -3.350 -0.628 -1.278 58 HB1 ALA 10 3HB ALA 10 -1.398 1.350 -0.200 59 HB2 ALA 10 1HB ALA 10 -2.913 1.928 -0.897 60 HB3 ALA 10 2HB ALA 10 -2.939 0.809 0.465 61 H LYS 11 H LYS 11 -4.325 0.368 -3.012 62 HA LYS 11 HA LYS 11 -2.572 0.877 -5.305 63 HB2 LYS 11 1HB LYS 11 -4.456 -0.803 -5.448 64 HB3 LYS 11 2HB LYS 11 -5.573 0.548 -5.319 65 HG2 LYS 11 1HG LYS 11 -4.371 1.514 -7.350 66 HG3 LYS 11 2HG LYS 11 -3.662 -0.092 -7.539 67 HD2 LYS 11 1HD LYS 11 -5.546 -0.201 -8.890 68 HD3 LYS 11 2HD LYS 11 -6.111 -0.924 -7.382 69 HE2 LYS 11 1HE LYS 11 -7.793 0.590 -8.128 70 HE3 LYS 11 2HE LYS 11 -6.997 1.326 -6.738 71 HZ1 LYS 11 3HZ LYS 11 -5.618 2.146 -9.008 72 HZ2 LYS 11 1HZ LYS 11 -6.588 3.087 -7.991 73 HZ3 LYS 11 2HZ LYS 11 -7.263 2.339 -9.350 74 H ALA 12 H ALA 12 -2.372 2.838 -6.207 75 HA ALA 12 HA ALA 12 -3.486 5.114 -4.867 76 HB1 ALA 12 3HB ALA 12 -2.234 6.421 -6.546 77 HB2 ALA 12 1HB ALA 12 -1.232 5.222 -5.728 78 HB3 ALA 12 2HB ALA 12 -1.810 4.918 -7.367 79 H LEU 13 H LEU 13 -5.592 5.535 -5.149 80 HA LEU 13 HA LEU 13 -7.075 4.886 -7.463 81 HB2 LEU 13 1HB LEU 13 -7.800 6.995 -5.446 82 HB3 LEU 13 2HB LEU 13 -8.887 6.043 -6.457 83 HG LEU 13 HG LEU 13 -7.176 4.789 -4.325 84 HD11 LEU 13 1HD1 LEU 13 -9.777 6.229 -4.082 85 HD12 LEU 13 2HD1 LEU 13 -8.398 6.203 -2.986 86 HD13 LEU 13 3HD1 LEU 13 -9.472 4.808 -3.083 87 HD21 LEU 13 3HD2 LEU 13 -8.926 3.050 -4.444 88 HD22 LEU 13 1HD2 LEU 13 -8.069 3.265 -5.969 89 HD23 LEU 13 2HD2 LEU 13 -9.686 3.938 -5.765 90 H LEU 14 H LEU 14 -4.991 7.491 -6.732 91 HA LEU 14 HA LEU 14 -5.458 8.663 -9.325 92 HB2 LEU 14 1HB LEU 14 -5.915 10.902 -8.527 93 HB3 LEU 14 2HB LEU 14 -7.157 9.780 -7.973 94 HG LEU 14 HG LEU 14 -4.887 10.457 -6.155 95 HD11 LEU 14 1HD1 LEU 14 -7.350 12.147 -6.180 96 HD12 LEU 14 2HD1 LEU 14 -5.985 12.556 -7.221 97 HD13 LEU 14 3HD1 LEU 14 -5.769 12.477 -5.472 98 HD21 LEU 14 3HD2 LEU 14 -7.369 9.043 -6.017 99 HD22 LEU 14 1HD2 LEU 14 -7.403 10.398 -4.889 100 HD23 LEU 14 2HD2 LEU 14 -6.110 9.203 -4.791 101 H ASP 15 H ASP 15 -3.954 10.624 -9.616 102 HA ASP 15 HA ASP 15 -1.322 9.798 -8.771 103 HB2 ASP 15 1HB ASP 15 -1.434 10.495 -11.024 104 HB3 ASP 15 2HB ASP 15 -2.349 11.944 -10.618 105 H PHE 16 H PHE 16 -0.025 10.753 -7.301 106 HA PHE 16 HA PHE 16 -1.032 13.186 -5.977 107 HB2 PHE 16 1HB PHE 16 -1.366 11.295 -4.493 108 HB3 PHE 16 2HB PHE 16 0.306 10.787 -4.710 109 HD1 PHE 16 1HD PHE 16 -1.514 13.902 -3.743 110 HD2 PHE 16 2HD PHE 16 1.703 11.228 -2.956 111 HE1 PHE 16 1HE PHE 16 -0.852 15.272 -1.808 112 HE2 PHE 16 2HE PHE 16 2.368 12.593 -1.021 113 HZ PHE 16 HZ PHE 16 1.090 14.618 -0.444 114 H GLU 17 H GLU 17 0.405 14.795 -5.604 115 HA GLU 17 HA GLU 17 3.145 14.363 -6.581 116 HB2 GLU 17 1HB GLU 17 1.273 16.675 -6.670 117 HB3 GLU 17 2HB GLU 17 2.989 17.027 -6.521 118 HG2 GLU 17 1HG GLU 17 2.114 15.112 -8.617 119 HG3 GLU 17 2HG GLU 17 1.822 16.832 -8.865 120 H ARG 18 H ARG 18 4.320 13.793 -4.832 121 HA ARG 18 HA ARG 18 3.931 14.684 -2.207 122 HB2 ARG 18 1HB ARG 18 5.962 13.619 -1.675 123 HB3 ARG 18 2HB ARG 18 5.312 12.698 -3.025 124 HG2 ARG 18 1HG ARG 18 6.806 14.384 -4.416 125 HG3 ARG 18 2HG ARG 18 7.696 14.450 -2.894 126 HD2 ARG 18 1HD ARG 18 7.850 11.984 -2.920 127 HD3 ARG 18 2HD ARG 18 7.042 11.975 -4.487 128 HE ARG 18 HE ARG 18 9.000 12.668 -5.475 129 HH11 ARG 18 1HH1 ARG 18 9.266 12.940 -2.016 130 HH12 ARG 18 2HH1 ARG 18 10.969 13.250 -2.039 131 HH21 ARG 18 1HH2 ARG 18 11.245 13.073 -5.522 132 HH22 ARG 18 2HH2 ARG 18 12.094 13.325 -4.035 133 H HIS 19 H HIS 19 4.410 16.521 -1.194 134 HA HIS 19 HA HIS 19 5.725 18.643 -2.662 135 HB2 HIS 19 1HB HIS 19 3.631 18.830 -1.125 136 HB3 HIS 19 2HB HIS 19 4.806 18.877 0.187 137 HD1 HIS 19 1HD HIS 19 3.499 20.881 -2.679 138 HD2 HIS 19 2HD HIS 19 6.321 21.232 0.349 139 HE1 HIS 19 1HE HIS 19 4.165 23.305 -2.660 140 HE2 HIS 19 2HE HIS 19 5.936 23.477 -0.878 141 H ASP 20 H ASP 20 6.149 17.213 0.581 142 HA ASP 20 HA ASP 20 8.900 18.193 0.624 143 HB2 ASP 20 1HB ASP 20 7.037 17.098 2.712 144 HB3 ASP 20 2HB ASP 20 8.770 17.184 3.014 145 H ASP 21 H ASP 21 10.637 16.757 1.325 146 HA ASP 21 HA ASP 21 10.881 14.487 -0.260 147 HB2 ASP 21 1HB ASP 21 12.378 15.032 2.312 148 HB3 ASP 21 2HB ASP 21 12.905 13.998 0.986 149 H ASP 22 H ASP 22 9.788 14.818 3.066 150 HA ASP 22 HA ASP 22 9.772 12.084 3.740 151 HB2 ASP 22 1HB ASP 22 9.443 14.228 5.216 152 HB3 ASP 22 2HB ASP 22 7.736 13.978 4.857 153 H GLU 23 H GLU 23 7.581 14.056 1.898 154 HA GLU 23 HA GLU 23 5.367 12.243 2.024 155 HB2 GLU 23 1HB GLU 23 6.015 14.673 0.385 156 HB3 GLU 23 2HB GLU 23 4.635 13.664 -0.028 157 HG2 GLU 23 1HG GLU 23 4.921 14.609 2.774 158 HG3 GLU 23 2HG GLU 23 4.383 15.749 1.542 159 H LEU 24 H LEU 24 4.896 10.556 0.747 160 HA LEU 24 HA LEU 24 6.853 9.826 -1.304 161 HB2 LEU 24 1HB LEU 24 6.390 8.176 0.423 162 HB3 LEU 24 2HB LEU 24 4.674 8.216 0.022 163 HG LEU 24 HG LEU 24 5.321 7.350 -2.266 164 HD11 LEU 24 1HD1 LEU 24 7.578 5.990 -1.959 165 HD12 LEU 24 2HD1 LEU 24 7.962 7.360 -0.919 166 HD13 LEU 24 3HD1 LEU 24 7.550 7.628 -2.612 167 HD21 LEU 24 3HD2 LEU 24 6.029 5.516 0.013 168 HD22 LEU 24 1HD2 LEU 24 5.331 5.087 -1.548 169 HD23 LEU 24 2HD2 LEU 24 4.375 5.992 -0.374 170 H GLY 25 H GLY 25 6.369 10.597 -3.261 171 HA2 GLY 25 1HA GLY 25 3.634 11.029 -4.086 172 HA3 GLY 25 2HA GLY 25 5.077 11.354 -5.036 173 H PHE 26 H PHE 26 2.706 10.155 -6.028 174 HA PHE 26 HA PHE 26 3.855 7.802 -7.218 175 HB2 PHE 26 1HB PHE 26 1.673 6.488 -6.598 176 HB3 PHE 26 2HB PHE 26 3.018 6.542 -5.463 177 HD1 PHE 26 2HD PHE 26 2.884 7.882 -3.438 178 HD2 PHE 26 1HD PHE 26 -0.392 7.621 -6.141 179 HE1 PHE 26 2HE PHE 26 1.391 8.799 -1.711 180 HE2 PHE 26 1HE PHE 26 -1.892 8.539 -4.420 181 HZ PHE 26 HZ PHE 26 -1.001 9.128 -2.200 182 H ARG 27 H ARG 27 1.972 6.714 -8.620 183 HA ARG 27 HA ARG 27 0.535 8.924 -9.935 184 HB2 ARG 27 1HB ARG 27 2.164 6.690 -11.053 185 HB3 ARG 27 2HB ARG 27 0.768 7.239 -11.971 186 HG2 ARG 27 1HG ARG 27 2.791 9.204 -10.983 187 HG3 ARG 27 2HG ARG 27 3.088 8.265 -12.448 188 HD2 ARG 27 1HD ARG 27 1.120 9.144 -13.488 189 HD3 ARG 27 2HD ARG 27 0.613 9.919 -11.987 190 HE ARG 27 HE ARG 27 3.104 10.951 -12.615 191 HH11 ARG 27 1HH1 ARG 27 -0.079 10.872 -14.021 192 HH12 ARG 27 2HH1 ARG 27 0.101 12.390 -14.836 193 HH21 ARG 27 1HH2 ARG 27 3.352 12.952 -13.681 194 HH22 ARG 27 2HH2 ARG 27 2.054 13.573 -14.642 195 H LYS 28 H LYS 28 -1.318 8.094 -11.327 196 HA LYS 28 HA LYS 28 -3.155 6.727 -9.674 197 HB2 LYS 28 1HB LYS 28 -3.742 8.425 -11.420 198 HB3 LYS 28 2HB LYS 28 -3.386 7.216 -12.646 199 HG2 LYS 28 1HG LYS 28 -5.152 5.785 -11.747 200 HG3 LYS 28 2HG LYS 28 -5.514 7.006 -10.524 201 HD2 LYS 28 1HD LYS 28 -5.523 7.796 -13.400 202 HD3 LYS 28 2HD LYS 28 -6.891 6.881 -12.762 203 HE2 LYS 28 1HE LYS 28 -6.847 8.660 -10.865 204 HE3 LYS 28 2HE LYS 28 -5.925 9.615 -12.025 205 HZ1 LYS 28 3HZ LYS 28 -7.715 9.902 -13.352 206 HZ2 LYS 28 1HZ LYS 28 -8.555 9.681 -11.900 207 HZ3 LYS 28 2HZ LYS 28 -8.391 8.395 -12.987 208 H ASN 29 H ASN 29 -3.883 4.652 -9.664 209 HA ASN 29 HA ASN 29 -3.914 2.403 -10.008 210 HB2 ASN 29 1HB ASN 29 -2.926 3.160 -12.767 211 HB3 ASN 29 2HB ASN 29 -3.524 1.568 -12.304 212 HD21 ASN 29 1HD2 ASN 29 -4.387 4.004 -14.068 213 HD22 ASN 29 2HD2 ASN 29 -6.084 4.097 -13.756 214 H ASP 30 H ASP 30 -1.659 3.532 -8.763 215 HA ASP 30 HA ASP 30 0.506 1.768 -9.705 216 HB2 ASP 30 1HB ASP 30 0.611 4.411 -8.253 217 HB3 ASP 30 2HB ASP 30 2.003 3.339 -8.373 218 H ILE 31 H ILE 31 1.317 0.268 -8.351 219 HA ILE 31 HA ILE 31 -0.047 -0.130 -5.819 220 HB ILE 31 HB ILE 31 2.071 -1.858 -7.101 221 HG12 ILE 31 1HG1 ILE 31 0.037 -1.543 -8.522 222 HG13 ILE 31 2HG1 ILE 31 0.285 -3.205 -7.998 223 HG21 ILE 31 1HG2 ILE 31 0.564 -1.988 -4.609 224 HG22 ILE 31 2HG2 ILE 31 0.447 -3.458 -5.576 225 HG23 ILE 31 3HG2 ILE 31 2.028 -2.841 -5.095 226 HD11 ILE 31 3HD1 ILE 31 -2.050 -2.597 -7.859 227 HD12 ILE 31 1HD1 ILE 31 -1.396 -2.889 -6.247 228 HD13 ILE 31 2HD1 ILE 31 -1.655 -1.237 -6.808 229 H ILE 32 H ILE 32 0.759 0.365 -3.887 230 HA ILE 32 HA ILE 32 3.647 0.916 -3.675 231 HB ILE 32 HB ILE 32 1.427 2.383 -2.247 232 HG12 ILE 32 1HG1 ILE 32 3.375 3.640 -4.147 233 HG13 ILE 32 2HG1 ILE 32 1.961 2.805 -4.782 234 HG21 ILE 32 1HG2 ILE 32 3.540 2.055 -0.952 235 HG22 ILE 32 2HG2 ILE 32 4.383 2.957 -2.210 236 HG23 ILE 32 3HG2 ILE 32 3.123 3.741 -1.258 237 HD11 ILE 32 3HD1 ILE 32 2.047 5.424 -4.095 238 HD12 ILE 32 1HD1 ILE 32 0.578 4.453 -4.185 239 HD13 ILE 32 2HD1 ILE 32 1.379 4.701 -2.632 240 H THR 33 H THR 33 4.675 -0.282 -2.223 241 HA THR 33 HA THR 33 3.288 -2.150 -0.581 242 HB THR 33 HB THR 33 6.210 -1.369 -0.589 243 HG1 THR 33 1HG THR 33 5.045 -3.733 -1.640 244 HG21 THR 33 3HG2 THR 33 5.627 -4.035 0.346 245 HG22 THR 33 1HG2 THR 33 4.805 -2.832 1.339 246 HG23 THR 33 2HG2 THR 33 6.554 -2.753 1.126 247 H ILE 34 H ILE 34 2.703 -2.036 1.505 248 HA ILE 34 HA ILE 34 3.170 0.488 2.906 249 HB ILE 34 HB ILE 34 1.350 -1.764 3.751 250 HG12 ILE 34 1HG1 ILE 34 0.744 0.675 2.066 251 HG13 ILE 34 2HG1 ILE 34 0.655 -1.005 1.548 252 HG21 ILE 34 1HG2 ILE 34 2.148 0.704 4.948 253 HG22 ILE 34 2HG2 ILE 34 0.425 0.763 4.578 254 HG23 ILE 34 3HG2 ILE 34 1.069 -0.539 5.578 255 HD11 ILE 34 3HD1 ILE 34 -1.523 -0.760 1.995 256 HD12 ILE 34 1HD1 ILE 34 -1.022 -1.044 3.663 257 HD13 ILE 34 2HD1 ILE 34 -1.255 0.604 3.078 258 H ILE 35 H ILE 35 4.896 0.569 4.178 259 HA ILE 35 HA ILE 35 6.000 -1.843 5.351 260 HB ILE 35 HB ILE 35 6.965 1.000 5.671 261 HG12 ILE 35 1HG1 ILE 35 6.839 0.124 3.281 262 HG13 ILE 35 2HG1 ILE 35 8.422 0.664 3.828 263 HG21 ILE 35 1HG2 ILE 35 8.136 -0.064 7.288 264 HG22 ILE 35 2HG2 ILE 35 7.949 -1.649 6.537 265 HG23 ILE 35 3HG2 ILE 35 9.155 -0.517 5.923 266 HD11 ILE 35 3HD1 ILE 35 8.045 -2.139 4.362 267 HD12 ILE 35 1HD1 ILE 35 7.789 -1.768 2.657 268 HD13 ILE 35 2HD1 ILE 35 9.308 -1.326 3.439 269 H SER 36 H SER 36 5.183 1.373 6.672 270 HA SER 36 HA SER 36 4.148 0.030 9.075 271 HB2 SER 36 1HB SER 36 6.531 1.183 9.200 272 HB3 SER 36 2HB SER 36 5.563 2.646 9.372 273 HG SER 36 HG SER 36 5.102 2.073 11.334 274 H GLN 37 H GLN 37 2.726 1.442 10.386 275 HA GLN 37 HA GLN 37 1.353 3.459 8.738 276 HB2 GLN 37 1HB GLN 37 0.136 1.282 10.436 277 HB3 GLN 37 2HB GLN 37 -0.777 2.672 9.864 278 HG2 GLN 37 1HG GLN 37 -0.249 2.027 7.546 279 HG3 GLN 37 2HG GLN 37 0.581 0.597 8.159 280 HE21 GLN 37 1HE2 GLN 37 -2.108 1.462 6.690 281 HE22 GLN 37 2HE2 GLN 37 -3.235 0.333 7.354 282 H LYS 38 H LYS 38 2.531 5.078 9.859 283 HA LYS 38 HA LYS 38 2.779 5.402 12.587 284 HB2 LYS 38 1HB LYS 38 2.689 7.279 10.273 285 HB3 LYS 38 2HB LYS 38 2.584 7.963 11.890 286 HG2 LYS 38 1HG LYS 38 4.886 7.853 10.900 287 HG3 LYS 38 2HG LYS 38 4.705 7.109 12.492 288 HD2 LYS 38 1HD LYS 38 4.528 4.904 11.435 289 HD3 LYS 38 2HD LYS 38 4.720 5.652 9.847 290 HE2 LYS 38 1HE LYS 38 6.873 4.973 10.282 291 HE3 LYS 38 2HE LYS 38 6.909 6.623 10.902 292 HZ1 LYS 38 3HZ LYS 38 6.459 4.194 12.551 293 HZ2 LYS 38 1HZ LYS 38 6.573 5.781 13.123 294 HZ3 LYS 38 2HZ LYS 38 7.923 5.031 12.434 295 H ASP 39 H ASP 39 0.186 6.690 10.509 296 HA ASP 39 HA ASP 39 -1.603 6.628 12.833 297 HB2 ASP 39 1HB ASP 39 -1.851 8.918 10.934 298 HB3 ASP 39 2HB ASP 39 -2.286 8.821 12.638 299 H GLU 40 H GLU 40 -3.687 6.046 12.398 300 HA GLU 40 HA GLU 40 -4.365 4.405 10.382 301 HB2 GLU 40 1HB GLU 40 -6.016 6.331 11.969 302 HB3 GLU 40 2HB GLU 40 -6.773 5.413 10.674 303 HG2 GLU 40 1HG GLU 40 -7.098 4.282 12.769 304 HG3 GLU 40 2HG GLU 40 -6.028 3.329 11.742 305 H HIS 41 H HIS 41 -4.093 7.856 10.165 306 HA HIS 41 HA HIS 41 -5.310 7.913 7.513 307 HB2 HIS 41 1HB HIS 41 -4.374 10.031 9.430 308 HB3 HIS 41 2HB HIS 41 -4.685 10.420 7.740 309 HD1 HIS 41 1HD HIS 41 -6.913 11.442 7.516 310 HD2 HIS 41 2HD HIS 41 -6.880 8.468 10.415 311 HE1 HIS 41 1HE HIS 41 -9.271 11.320 8.380 312 HE2 HIS 41 2HE HIS 41 -9.208 9.572 10.192 313 H CYS 42 H CYS 42 -2.271 9.104 8.958 314 HA CYS 42 HA CYS 42 -0.993 9.112 6.364 315 HB2 CYS 42 1HB CYS 42 0.013 9.814 9.126 316 HB3 CYS 42 2HB CYS 42 0.995 9.927 7.671 317 HG CYS 42 HG CYS 42 -1.955 11.582 7.686 318 H TRP 43 H TRP 43 -0.249 7.284 5.531 319 HA TRP 43 HA TRP 43 0.896 5.270 7.351 320 HB2 TRP 43 1HB TRP 43 -0.334 4.934 4.608 321 HB3 TRP 43 2HB TRP 43 0.444 3.640 5.517 322 HD1 TRP 43 HD TRP 43 -1.101 5.143 8.248 323 HE1 TRP 43 1HE TRP 43 -3.487 4.291 8.699 324 HE3 TRP 43 3HE TRP 43 -2.070 3.008 3.706 325 HZ2 TRP 43 2HZ TRP 43 -5.513 2.897 7.313 326 HZ3 TRP 43 3HZ TRP 43 -4.255 1.936 3.350 327 HH2 TRP 43 HH TRP 43 -5.939 1.881 5.116 328 H VAL 44 H VAL 44 2.709 3.997 6.478 329 HA VAL 44 HA VAL 44 4.417 5.630 4.714 330 HB VAL 44 HB VAL 44 5.202 3.922 7.075 331 HG11 VAL 44 1HG1 VAL 44 7.531 4.592 6.535 332 HG12 VAL 44 2HG1 VAL 44 6.810 3.521 5.331 333 HG13 VAL 44 3HG1 VAL 44 6.947 5.249 5.006 334 HG21 VAL 44 3HG2 VAL 44 4.468 6.080 7.765 335 HG22 VAL 44 1HG2 VAL 44 6.230 6.083 7.828 336 HG23 VAL 44 2HG2 VAL 44 5.393 6.871 6.489 337 H GLY 45 H GLY 45 4.749 4.707 2.807 338 HA2 GLY 45 1HA GLY 45 4.855 1.755 2.690 339 HA3 GLY 45 2HA GLY 45 4.152 2.741 1.417 340 H GLU 46 H GLU 46 5.663 1.511 0.055 341 HA GLU 46 HA GLU 46 8.210 2.940 -0.133 342 HB2 GLU 46 1HB GLU 46 8.431 0.678 1.086 343 HB3 GLU 46 2HB GLU 46 8.134 -0.045 -0.488 344 HG2 GLU 46 1HG GLU 46 10.078 1.598 -1.203 345 HG3 GLU 46 2HG GLU 46 10.494 1.447 0.502 346 H LEU 47 H LEU 47 8.490 3.674 -2.126 347 HA LEU 47 HA LEU 47 7.728 2.087 -4.425 348 HB2 LEU 47 1HB LEU 47 5.709 3.457 -3.674 349 HB3 LEU 47 2HB LEU 47 6.623 4.871 -4.194 350 HG LEU 47 HG LEU 47 6.765 3.644 -6.471 351 HD11 LEU 47 1HD1 LEU 47 5.816 1.639 -6.540 352 HD12 LEU 47 2HD1 LEU 47 4.256 2.444 -6.369 353 HD13 LEU 47 3HD1 LEU 47 5.104 1.849 -4.941 354 HD21 LEU 47 3HD2 LEU 47 4.242 4.412 -6.831 355 HD22 LEU 47 1HD2 LEU 47 5.562 5.564 -6.621 356 HD23 LEU 47 2HD2 LEU 47 4.525 5.155 -5.256 357 H ASN 48 H ASN 48 8.811 2.662 -6.302 358 HA ASN 48 HA ASN 48 10.563 3.451 -7.521 359 HB2 ASN 48 1HB ASN 48 9.710 5.978 -6.101 360 HB3 ASN 48 2HB ASN 48 10.945 5.955 -7.356 361 HD21 ASN 48 1HD2 ASN 48 7.631 6.037 -6.670 362 HD22 ASN 48 2HD2 ASN 48 7.047 5.931 -8.293 363 H GLY 49 H GLY 49 11.083 2.318 -4.858 364 HA2 GLY 49 1HA GLY 49 12.978 1.877 -3.625 365 HA3 GLY 49 2HA GLY 49 13.863 2.940 -4.709 366 H LEU 50 H LEU 50 11.058 4.149 -3.079 367 HA LEU 50 HA LEU 50 12.804 5.642 -1.234 368 HB2 LEU 50 1HB LEU 50 10.219 6.677 -2.362 369 HB3 LEU 50 2HB LEU 50 11.462 7.573 -1.491 370 HG LEU 50 HG LEU 50 11.798 6.411 -4.254 371 HD11 LEU 50 1HD1 LEU 50 11.343 9.277 -3.443 372 HD12 LEU 50 2HD1 LEU 50 10.125 8.227 -4.165 373 HD13 LEU 50 3HD1 LEU 50 11.569 8.662 -5.080 374 HD21 LEU 50 3HD2 LEU 50 13.799 6.836 -2.626 375 HD22 LEU 50 1HD2 LEU 50 13.520 8.526 -3.045 376 HD23 LEU 50 2HD2 LEU 50 13.894 7.355 -4.309 377 H ARG 51 H ARG 51 11.660 6.465 0.715 378 HA ARG 51 HA ARG 51 9.334 4.879 1.506 379 HB2 ARG 51 1HB ARG 51 12.048 4.757 2.745 380 HB3 ARG 51 2HB ARG 51 10.640 4.633 3.792 381 HG2 ARG 51 1HG ARG 51 9.863 2.801 2.152 382 HG3 ARG 51 2HG ARG 51 11.549 2.781 1.630 383 HD2 ARG 51 1HD ARG 51 10.748 2.528 4.516 384 HD3 ARG 51 2HD ARG 51 10.883 1.131 3.448 385 HE ARG 51 HE ARG 51 13.264 2.437 3.171 386 HH11 ARG 51 1HH1 ARG 51 11.462 1.142 5.853 387 HH12 ARG 51 2HH1 ARG 51 12.872 0.780 6.794 388 HH21 ARG 51 1HH2 ARG 51 15.127 1.966 4.400 389 HH22 ARG 51 2HH2 ARG 51 14.955 1.252 5.968 390 H GLY 52 H GLY 52 7.882 6.360 2.072 391 HA2 GLY 52 1HA GLY 52 8.581 8.326 4.098 392 HA3 GLY 52 2HA GLY 52 8.076 8.982 2.547 393 H TRP 53 H TRP 53 6.437 9.930 4.108 394 HA TRP 53 HA TRP 53 4.278 8.062 4.749 395 HB2 TRP 53 1HB TRP 53 3.435 9.689 6.223 396 HB3 TRP 53 2HB TRP 53 5.183 9.816 6.395 397 HD1 TRP 53 HD TRP 53 6.359 11.963 5.153 398 HE1 TRP 53 1HE TRP 53 5.420 14.311 4.677 399 HE3 TRP 53 3HE TRP 53 1.374 10.962 5.676 400 HZ2 TRP 53 2HZ TRP 53 2.898 15.572 4.543 401 HZ3 TRP 53 3HZ TRP 53 -0.236 12.795 5.356 402 HH2 TRP 53 HH TRP 53 0.511 15.052 4.803 403 H PHE 54 H PHE 54 2.028 8.787 4.303 404 HA PHE 54 HA PHE 54 1.472 10.722 2.317 405 HB2 PHE 54 1HB PHE 54 0.952 9.309 0.426 406 HB3 PHE 54 2HB PHE 54 2.621 9.021 0.903 407 HD1 PHE 54 1HD PHE 54 -0.802 7.652 1.037 408 HD2 PHE 54 2HD PHE 54 3.348 6.886 1.589 409 HE1 PHE 54 1HE PHE 54 -1.272 5.243 1.210 410 HE2 PHE 54 2HE PHE 54 2.884 4.477 1.762 411 HZ PHE 54 HZ PHE 54 0.571 3.651 1.572 412 HA PRO 55 HA PRO 55 -2.561 10.132 3.950 413 HB2 PRO 55 1HB PRO 55 -4.073 11.109 1.918 414 HB3 PRO 55 2HB PRO 55 -3.107 12.142 2.980 415 HG2 PRO 55 1HG PRO 55 -2.477 11.135 0.231 416 HG3 PRO 55 2HG PRO 55 -2.232 12.754 0.913 417 HD2 PRO 55 1HD PRO 55 -0.226 10.949 0.683 418 HD3 PRO 55 2HD PRO 55 -0.294 12.139 1.999 419 H ALA 56 H ALA 56 -3.498 8.206 4.176 420 HA ALA 56 HA ALA 56 -3.514 6.181 2.227 421 HB1 ALA 56 3HB ALA 56 -5.397 5.269 3.828 422 HB2 ALA 56 1HB ALA 56 -3.706 5.309 4.329 423 HB3 ALA 56 2HB ALA 56 -4.819 6.568 4.871 424 H LYS 57 H LYS 57 -5.879 8.632 3.098 425 HA LYS 57 HA LYS 57 -8.143 7.691 1.835 426 HB2 LYS 57 1HB LYS 57 -8.772 10.086 1.542 427 HB3 LYS 57 2HB LYS 57 -8.223 9.694 3.166 428 HG2 LYS 57 1HG LYS 57 -5.937 10.539 2.412 429 HG3 LYS 57 2HG LYS 57 -6.788 11.226 1.025 430 HD2 LYS 57 1HD LYS 57 -7.857 11.763 3.753 431 HD3 LYS 57 2HD LYS 57 -6.400 12.618 3.239 432 HE2 LYS 57 1HE LYS 57 -7.991 14.080 2.499 433 HE3 LYS 57 2HE LYS 57 -7.840 13.055 1.073 434 HZ1 LYS 57 3HZ LYS 57 -9.725 11.720 2.181 435 HZ2 LYS 57 1HZ LYS 57 -10.105 13.166 1.390 436 HZ3 LYS 57 2HZ LYS 57 -9.997 13.130 3.077 437 H PHE 58 H PHE 58 -5.233 8.976 0.432 438 HA PHE 58 HA PHE 58 -6.325 9.462 -2.166 439 HB2 PHE 58 1HB PHE 58 -3.598 9.426 -0.961 440 HB3 PHE 58 2HB PHE 58 -3.727 9.285 -2.711 441 HD1 PHE 58 2HD PHE 58 -5.019 11.376 0.094 442 HD2 PHE 58 1HD PHE 58 -3.746 11.210 -3.964 443 HE1 PHE 58 2HE PHE 58 -5.259 13.818 -0.077 444 HE2 PHE 58 1HE PHE 58 -3.985 13.653 -4.143 445 HZ PHE 58 HZ PHE 58 -4.743 14.960 -2.198 446 H VAL 59 H VAL 59 -4.790 6.749 -0.566 447 HA VAL 59 HA VAL 59 -5.008 5.176 -3.045 448 HB VAL 59 HB VAL 59 -3.385 3.659 -2.168 449 HG11 VAL 59 1HG1 VAL 59 -1.475 5.288 -1.626 450 HG12 VAL 59 2HG1 VAL 59 -2.287 5.451 -3.184 451 HG13 VAL 59 3HG1 VAL 59 -2.676 6.558 -1.866 452 HG21 VAL 59 3HG2 VAL 59 -4.236 3.771 0.189 453 HG22 VAL 59 1HG2 VAL 59 -2.479 3.750 0.036 454 HG23 VAL 59 2HG2 VAL 59 -3.316 5.262 0.383 455 H GLU 60 H GLU 60 -5.288 2.709 -2.419 456 HA GLU 60 HA GLU 60 -7.389 2.463 -0.382 457 HB2 GLU 60 1HB GLU 60 -8.550 2.674 -2.491 458 HB3 GLU 60 2HB GLU 60 -7.521 1.450 -3.225 459 HG2 GLU 60 1HG GLU 60 -9.793 0.657 -2.619 460 HG3 GLU 60 2HG GLU 60 -8.482 -0.270 -1.892 461 H VAL 61 H VAL 61 -7.146 0.760 0.919 462 HA VAL 61 HA VAL 61 -4.861 -0.882 0.787 463 HB VAL 61 HB VAL 61 -7.384 -1.398 2.366 464 HG11 VAL 61 1HG1 VAL 61 -6.007 -3.341 2.359 465 HG12 VAL 61 2HG1 VAL 61 -4.553 -2.386 2.653 466 HG13 VAL 61 3HG1 VAL 61 -5.778 -2.542 3.913 467 HG21 VAL 61 3HG2 VAL 61 -6.187 0.890 2.600 468 HG22 VAL 61 1HG2 VAL 61 -6.606 -0.015 4.055 469 HG23 VAL 61 2HG2 VAL 61 -4.950 -0.036 3.451 470 H LEU 62 H LEU 62 -4.663 -3.120 0.408 471 HA LEU 62 HA LEU 62 -6.877 -4.388 -1.047 472 HB2 LEU 62 1HB LEU 62 -4.106 -4.876 -1.996 473 HB3 LEU 62 2HB LEU 62 -5.628 -4.923 -2.884 474 HG LEU 62 HG LEU 62 -4.616 -2.285 -1.940 475 HD11 LEU 62 1HD1 LEU 62 -2.653 -2.608 -2.962 476 HD12 LEU 62 2HD1 LEU 62 -3.577 -2.450 -4.454 477 HD13 LEU 62 3HD1 LEU 62 -3.217 -4.050 -3.806 478 HD21 LEU 62 3HD2 LEU 62 -6.711 -3.231 -3.556 479 HD22 LEU 62 1HD2 LEU 62 -5.572 -2.431 -4.638 480 HD23 LEU 62 2HD2 LEU 62 -6.243 -1.556 -3.262 481 H ASP 63 H ASP 63 -7.402 -6.142 0.064 482 HA ASP 63 HA ASP 63 -5.361 -7.553 1.607 483 HB2 ASP 63 1HB ASP 63 -7.426 -6.997 2.777 484 HB3 ASP 63 2HB ASP 63 -8.371 -7.847 1.558 485 H GLU 64 H GLU 64 -4.235 -8.659 0.012 486 HA GLU 64 HA GLU 64 -5.156 -10.033 -2.156 487 HB2 GLU 64 1HB GLU 64 -2.893 -10.640 -0.272 488 HB3 GLU 64 2HB GLU 64 -3.212 -11.657 -1.671 489 HG2 GLU 64 1HG GLU 64 -2.917 -9.743 -3.146 490 HG3 GLU 64 2HG GLU 64 -2.627 -8.705 -1.751 491 H ARG 65 H ARG 65 -5.798 -12.169 -2.587 492 HA ARG 65 HA ARG 65 -6.704 -13.730 -0.266 493 HB2 ARG 65 1HB ARG 65 -8.296 -12.768 -2.602 494 HB3 ARG 65 2HB ARG 65 -8.674 -14.345 -1.920 495 HG2 ARG 65 1HG ARG 65 -8.985 -13.283 0.283 496 HG3 ARG 65 2HG ARG 65 -8.694 -11.711 -0.464 497 HD2 ARG 65 1HD ARG 65 -11.085 -12.152 -0.219 498 HD3 ARG 65 2HD ARG 65 -10.625 -12.033 -1.917 499 HE ARG 65 HE ARG 65 -10.556 -14.729 -1.071 500 HH11 ARG 65 1HH1 ARG 65 -12.779 -12.170 -1.864 501 HH12 ARG 65 2HH1 ARG 65 -14.041 -13.244 -2.367 502 HH21 ARG 65 1HH2 ARG 65 -12.210 -16.153 -1.732 503 HH22 ARG 65 2HH2 ARG 65 -13.716 -15.510 -2.291 504 H SER 66 H SER 66 -4.353 -14.303 -1.462 505 HA SER 66 HA SER 66 -4.291 -15.930 -3.686 506 HB2 SER 66 1HB SER 66 -2.219 -16.828 -2.838 507 HB3 SER 66 2HB SER 66 -2.303 -15.126 -2.383 508 HG SER 66 HG SER 66 -1.670 -16.299 -0.593 509 H LYS 67 H LYS 67 -5.309 -17.748 -4.165 510 HA LYS 67 HA LYS 67 -6.705 -19.272 -2.184 511 HB2 LYS 67 1HB LYS 67 -7.428 -18.897 -4.593 512 HB3 LYS 67 2HB LYS 67 -6.207 -20.075 -5.050 513 HG2 LYS 67 1HG LYS 67 -7.416 -21.597 -3.320 514 HG3 LYS 67 2HG LYS 67 -8.757 -20.473 -3.554 515 HD2 LYS 67 1HD LYS 67 -8.373 -20.879 -6.070 516 HD3 LYS 67 2HD LYS 67 -7.446 -22.288 -5.551 517 HE2 LYS 67 1HE LYS 67 -9.319 -23.306 -4.585 518 HE3 LYS 67 2HE LYS 67 -10.233 -21.799 -4.556 519 HZ1 LYS 67 3HZ LYS 67 -10.676 -21.925 -6.806 520 HZ2 LYS 67 1HZ LYS 67 -10.787 -23.545 -6.332 521 HZ3 LYS 67 2HZ LYS 67 -9.399 -22.986 -7.121 522 H GLU 68 H GLU 68 -6.274 -21.313 -1.413 523 HA GLU 68 HA GLU 68 -3.669 -22.477 -2.137 524 HB2 GLU 68 1HB GLU 68 -4.754 -21.779 0.547 525 HB3 GLU 68 2HB GLU 68 -3.807 -23.254 0.407 526 HG2 GLU 68 1HG GLU 68 -1.941 -21.984 -0.507 527 HG3 GLU 68 2HG GLU 68 -2.889 -20.502 -0.393 528 H TYR 69 H TYR 69 -3.550 -24.699 -2.214 529 HA TYR 69 HA TYR 69 -6.068 -26.068 -2.531 530 HB2 TYR 69 1HB TYR 69 -3.199 -26.757 -3.031 531 HB3 TYR 69 2HB TYR 69 -4.398 -28.042 -2.973 532 HD1 TYR 69 2HD TYR 69 -3.827 -24.728 -4.601 533 HD2 TYR 69 1HD TYR 69 -5.473 -28.638 -4.931 534 HE1 TYR 69 2HE TYR 69 -4.417 -24.274 -6.945 535 HE2 TYR 69 1HE TYR 69 -6.066 -28.196 -7.277 536 HH TYR 69 HH TYR 69 -5.816 -25.026 -8.669 537 H SER 70 H SER 70 -6.736 -25.868 -0.280 538 HA SER 70 HA SER 70 -5.322 -27.093 1.838 539 HB2 SER 70 1HB SER 70 -8.314 -26.687 1.696 540 HB3 SER 70 2HB SER 70 -7.309 -26.782 3.142 541 HG SER 70 HG SER 70 -6.244 -24.844 2.287 542 H ILE 71 H ILE 71 -6.248 -28.953 3.120 543 HA ILE 71 HA ILE 71 -7.031 -31.110 1.271 544 HB ILE 71 HB ILE 71 -6.049 -32.592 3.167 545 HG12 ILE 71 1HG1 ILE 71 -5.769 -30.492 4.638 546 HG13 ILE 71 2HG1 ILE 71 -4.436 -31.641 4.587 547 HG21 ILE 71 1HG2 ILE 71 -4.622 -31.058 1.056 548 HG22 ILE 71 2HG2 ILE 71 -3.671 -32.044 2.166 549 HG23 ILE 71 3HG2 ILE 71 -4.931 -32.789 1.183 550 HD11 ILE 71 3HD1 ILE 71 -3.045 -30.165 3.649 551 HD12 ILE 71 1HD1 ILE 71 -4.289 -29.513 2.581 552 HD13 ILE 71 2HD1 ILE 71 -4.188 -28.969 4.257 553 H ALA 72 H ALA 72 -9.153 -29.804 2.043 554 HA ALA 72 HA ALA 72 -11.151 -29.904 3.132 555 HB1 ALA 72 3HB ALA 72 -10.838 -32.625 4.140 556 HB2 ALA 72 1HB ALA 72 -12.042 -31.952 3.041 557 HB3 ALA 72 2HB ALA 72 -10.470 -32.461 2.424 558 H SER 73 H SER 73 -9.224 -28.708 4.648 559 HA SER 73 HA SER 73 -9.558 -29.827 7.346 560 HB2 SER 73 1HB SER 73 -7.672 -28.385 7.995 561 HB3 SER 73 2HB SER 73 -7.231 -29.441 6.653 562 HG SER 73 HG SER 73 -7.078 -26.813 6.752 563 H GLY 74 H GLY 74 -11.635 -29.068 7.776 564 HA2 GLY 74 1HA GLY 74 -13.091 -27.562 8.735 565 HA3 GLY 74 2HA GLY 74 -11.768 -26.406 8.798 566 HA PRO 75 HA PRO 75 -14.911 -24.904 5.726 567 HB2 PRO 75 1HB PRO 75 -15.008 -22.372 6.699 568 HB3 PRO 75 2HB PRO 75 -16.018 -23.681 7.323 569 HG2 PRO 75 1HG PRO 75 -13.470 -22.567 8.428 570 HG3 PRO 75 2HG PRO 75 -14.955 -23.023 9.283 571 HD2 PRO 75 1HD PRO 75 -12.768 -24.619 9.208 572 HD3 PRO 75 2HD PRO 75 -14.421 -25.265 9.275 573 H SER 76 H SER 76 -13.204 -25.156 4.172 574 HA SER 76 HA SER 76 -11.716 -22.659 3.707 575 HB2 SER 76 1HB SER 76 -9.812 -23.931 2.886 576 HB3 SER 76 2HB SER 76 -10.202 -24.458 4.523 577 HG SER 76 HG SER 76 -10.877 -26.347 3.778 578 H SER 77 H SER 77 -11.358 -22.095 1.524 579 HA SER 77 HA SER 77 -12.046 -21.767 -0.622 580 HB2 SER 77 1HB SER 77 -10.904 -24.150 -0.603 581 HB3 SER 77 2HB SER 77 -12.546 -24.700 -0.941 582 HG SER 77 HG SER 77 -11.052 -22.811 -2.447 583 H GLY 78 H GLY 78 -14.045 -21.206 1.059 584 HA2 GLY 78 1HA GLY 78 -16.394 -22.107 -0.449 585 HA3 GLY 78 2HA GLY 78 -16.409 -22.285 1.299 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -5.305 -20.256 18.119 2 HA2 GLY 1 1HA GLY 1 -5.077 -20.424 15.709 3 HA3 GLY 1 2HA GLY 1 -5.748 -18.842 16.076 4 H SER 2 H SER 2 -4.899 -17.867 14.244 5 HA SER 2 HA SER 2 -1.969 -17.544 14.263 6 HB2 SER 2 1HB SER 2 -3.855 -17.786 11.918 7 HB3 SER 2 2HB SER 2 -2.223 -17.138 11.758 8 HG SER 2 HG SER 2 -1.390 -19.093 12.375 9 H SER 3 H SER 3 -1.292 -15.498 13.073 10 HA SER 3 HA SER 3 -3.010 -13.305 14.004 11 HB2 SER 3 1HB SER 3 -0.712 -13.396 14.923 12 HB3 SER 3 2HB SER 3 -0.066 -13.258 13.288 13 HG SER 3 HG SER 3 -1.421 -11.343 14.839 14 H GLY 4 H GLY 4 -0.693 -13.867 11.341 15 HA2 GLY 4 1HA GLY 4 -2.073 -13.698 9.110 16 HA3 GLY 4 2HA GLY 4 -2.254 -12.040 9.666 17 H SER 5 H SER 5 -1.126 -12.390 7.264 18 HA SER 5 HA SER 5 1.718 -12.647 7.371 19 HB2 SER 5 1HB SER 5 0.292 -13.115 5.342 20 HB3 SER 5 2HB SER 5 0.082 -11.372 5.170 21 HG SER 5 HG SER 5 1.827 -12.249 3.910 22 H SER 6 H SER 6 3.280 -11.095 7.423 23 HA SER 6 HA SER 6 2.430 -8.457 8.323 24 HB2 SER 6 1HB SER 6 5.155 -9.773 8.243 25 HB3 SER 6 2HB SER 6 4.853 -8.148 8.859 26 HG SER 6 HG SER 6 4.696 -10.372 10.201 27 H GLY 7 H GLY 7 1.729 -7.483 6.418 28 HA2 GLY 7 1HA GLY 7 3.263 -5.817 5.020 29 HA3 GLY 7 2HA GLY 7 3.560 -7.321 4.158 30 H ARG 8 H ARG 8 1.794 -4.582 4.082 31 HA ARG 8 HA ARG 8 -0.389 -5.888 2.593 32 HB2 ARG 8 1HB ARG 8 -0.469 -3.615 4.544 33 HB3 ARG 8 2HB ARG 8 -1.655 -3.691 3.248 34 HG2 ARG 8 1HG ARG 8 -2.263 -5.976 4.031 35 HG3 ARG 8 2HG ARG 8 -1.190 -5.730 5.409 36 HD2 ARG 8 1HD ARG 8 -2.507 -3.890 6.189 37 HD3 ARG 8 2HD ARG 8 -3.484 -3.902 4.722 38 HE ARG 8 HE ARG 8 -3.866 -5.509 7.034 39 HH11 ARG 8 1HH1 ARG 8 -4.148 -5.530 3.563 40 HH12 ARG 8 2HH1 ARG 8 -5.404 -6.722 3.543 41 HH21 ARG 8 1HH2 ARG 8 -5.519 -7.080 7.020 42 HH22 ARG 8 2HH2 ARG 8 -6.184 -7.604 5.509 43 H ARG 9 H ARG 9 -1.458 -4.306 1.030 44 HA ARG 9 HA ARG 9 0.401 -2.336 -0.063 45 HB2 ARG 9 1HB ARG 9 -0.797 -4.522 -1.769 46 HB3 ARG 9 2HB ARG 9 0.287 -3.245 -2.303 47 HG2 ARG 9 1HG ARG 9 1.878 -4.296 -0.489 48 HG3 ARG 9 2HG ARG 9 0.879 -5.722 -0.776 49 HD2 ARG 9 1HD ARG 9 1.331 -5.139 -3.293 50 HD3 ARG 9 2HD ARG 9 2.721 -4.284 -2.627 51 HE ARG 9 HE ARG 9 2.544 -6.937 -1.616 52 HH11 ARG 9 1HH1 ARG 9 3.496 -5.079 -4.401 53 HH12 ARG 9 2HH1 ARG 9 4.654 -6.245 -4.947 54 HH21 ARG 9 1HH2 ARG 9 4.066 -8.481 -2.324 55 HH22 ARG 9 2HH2 ARG 9 4.977 -8.181 -3.765 56 H ALA 10 H ALA 10 -0.574 -0.710 -1.264 57 HA ALA 10 HA ALA 10 -3.514 -0.802 -1.426 58 HB1 ALA 10 3HB ALA 10 -2.760 1.888 -1.082 59 HB2 ALA 10 1HB ALA 10 -3.659 0.860 0.035 60 HB3 ALA 10 2HB ALA 10 -1.901 0.958 0.146 61 H LYS 11 H LYS 11 -4.462 0.282 -3.161 62 HA LYS 11 HA LYS 11 -2.629 0.819 -5.385 63 HB2 LYS 11 1HB LYS 11 -4.442 -0.878 -5.674 64 HB3 LYS 11 2HB LYS 11 -5.622 0.408 -5.466 65 HG2 LYS 11 1HG LYS 11 -3.537 0.728 -7.559 66 HG3 LYS 11 2HG LYS 11 -4.870 -0.392 -7.853 67 HD2 LYS 11 1HD LYS 11 -5.332 2.433 -6.937 68 HD3 LYS 11 2HD LYS 11 -5.163 2.021 -8.645 69 HE2 LYS 11 1HE LYS 11 -7.147 0.684 -6.819 70 HE3 LYS 11 2HE LYS 11 -7.525 2.130 -7.754 71 HZ1 LYS 11 3HZ LYS 11 -8.217 0.494 -9.168 72 HZ2 LYS 11 1HZ LYS 11 -7.029 -0.607 -8.685 73 HZ3 LYS 11 2HZ LYS 11 -6.624 0.678 -9.706 74 H ALA 12 H ALA 12 -2.319 2.816 -6.125 75 HA ALA 12 HA ALA 12 -3.507 5.059 -4.842 76 HB1 ALA 12 3HB ALA 12 -1.642 4.729 -7.162 77 HB2 ALA 12 1HB ALA 12 -2.312 6.309 -6.755 78 HB3 ALA 12 2HB ALA 12 -1.334 5.433 -5.576 79 H LEU 13 H LEU 13 -5.636 5.391 -5.132 80 HA LEU 13 HA LEU 13 -7.075 4.804 -7.481 81 HB2 LEU 13 1HB LEU 13 -7.860 6.865 -5.439 82 HB3 LEU 13 2HB LEU 13 -8.915 5.900 -6.470 83 HG LEU 13 HG LEU 13 -7.202 4.684 -4.316 84 HD11 LEU 13 1HD1 LEU 13 -9.700 4.619 -3.296 85 HD12 LEU 13 2HD1 LEU 13 -9.717 6.190 -4.098 86 HD13 LEU 13 3HD1 LEU 13 -8.492 5.835 -2.881 87 HD21 LEU 13 3HD2 LEU 13 -9.295 3.069 -4.550 88 HD22 LEU 13 1HD2 LEU 13 -7.876 2.924 -5.590 89 HD23 LEU 13 2HD2 LEU 13 -9.318 3.753 -6.176 90 H LEU 14 H LEU 14 -5.108 7.480 -6.594 91 HA LEU 14 HA LEU 14 -5.555 8.693 -9.189 92 HB2 LEU 14 1HB LEU 14 -6.036 10.896 -8.336 93 HB3 LEU 14 2HB LEU 14 -7.245 9.751 -7.756 94 HG LEU 14 HG LEU 14 -4.915 10.506 -6.031 95 HD11 LEU 14 1HD1 LEU 14 -7.378 12.110 -6.600 96 HD12 LEU 14 2HD1 LEU 14 -5.702 12.644 -6.474 97 HD13 LEU 14 3HD1 LEU 14 -6.591 12.182 -5.023 98 HD21 LEU 14 3HD2 LEU 14 -6.017 9.404 -4.429 99 HD22 LEU 14 1HD2 LEU 14 -6.954 8.701 -5.747 100 HD23 LEU 14 2HD2 LEU 14 -7.570 10.110 -4.882 101 H ASP 15 H ASP 15 -4.068 10.692 -9.405 102 HA ASP 15 HA ASP 15 -1.419 9.833 -8.686 103 HB2 ASP 15 1HB ASP 15 -1.350 10.752 -10.787 104 HB3 ASP 15 2HB ASP 15 -2.595 11.944 -10.424 105 H PHE 16 H PHE 16 0.080 10.929 -7.411 106 HA PHE 16 HA PHE 16 -0.945 13.126 -5.755 107 HB2 PHE 16 1HB PHE 16 -1.246 11.165 -4.390 108 HB3 PHE 16 2HB PHE 16 0.386 10.608 -4.745 109 HD1 PHE 16 1HD PHE 16 -1.235 13.704 -3.428 110 HD2 PHE 16 2HD PHE 16 1.898 10.847 -3.050 111 HE1 PHE 16 1HE PHE 16 -0.403 14.884 -1.433 112 HE2 PHE 16 2HE PHE 16 2.732 12.020 -1.055 113 HZ PHE 16 HZ PHE 16 1.581 14.041 -0.244 114 H GLU 17 H GLU 17 0.454 14.756 -5.520 115 HA GLU 17 HA GLU 17 3.210 14.334 -6.458 116 HB2 GLU 17 1HB GLU 17 1.317 16.625 -6.602 117 HB3 GLU 17 2HB GLU 17 3.028 16.996 -6.445 118 HG2 GLU 17 1HG GLU 17 2.667 16.999 -8.734 119 HG3 GLU 17 2HG GLU 17 3.362 15.408 -8.423 120 H ARG 18 H ARG 18 4.178 13.656 -4.566 121 HA ARG 18 HA ARG 18 3.844 14.491 -2.001 122 HB2 ARG 18 1HB ARG 18 5.938 13.603 -1.513 123 HB3 ARG 18 2HB ARG 18 5.511 12.779 -3.007 124 HG2 ARG 18 1HG ARG 18 6.818 14.705 -4.148 125 HG3 ARG 18 2HG ARG 18 7.525 14.931 -2.547 126 HD2 ARG 18 1HD ARG 18 8.606 12.907 -2.587 127 HD3 ARG 18 2HD ARG 18 7.441 12.188 -3.698 128 HE ARG 18 HE ARG 18 8.723 14.154 -5.134 129 HH11 ARG 18 1HH1 ARG 18 9.647 11.265 -3.425 130 HH12 ARG 18 2HH1 ARG 18 11.006 10.938 -4.447 131 HH21 ARG 18 1HH2 ARG 18 10.511 13.735 -6.487 132 HH22 ARG 18 2HH2 ARG 18 11.497 12.343 -6.188 133 H HIS 19 H HIS 19 3.870 16.404 -1.040 134 HA HIS 19 HA HIS 19 5.268 18.631 -2.315 135 HB2 HIS 19 1HB HIS 19 2.786 18.604 -1.403 136 HB3 HIS 19 2HB HIS 19 3.579 18.977 0.124 137 HD1 HIS 19 1HD HIS 19 1.685 20.966 -1.384 138 HD2 HIS 19 2HD HIS 19 5.836 20.992 -1.564 139 HE1 HIS 19 1HE HIS 19 2.315 23.312 -2.035 140 HE2 HIS 19 2HE HIS 19 4.827 23.281 -2.221 141 H ASP 20 H ASP 20 6.636 16.487 -0.788 142 HA ASP 20 HA ASP 20 8.388 18.175 0.714 143 HB2 ASP 20 1HB ASP 20 6.475 16.361 2.142 144 HB3 ASP 20 2HB ASP 20 8.079 16.644 2.815 145 H ASP 21 H ASP 21 10.389 17.265 0.984 146 HA ASP 21 HA ASP 21 11.236 15.256 -0.686 147 HB2 ASP 21 1HB ASP 21 12.564 15.765 1.970 148 HB3 ASP 21 2HB ASP 21 13.314 15.314 0.441 149 H ASP 22 H ASP 22 9.888 14.988 2.525 150 HA ASP 22 HA ASP 22 10.563 12.196 2.807 151 HB2 ASP 22 1HB ASP 22 8.937 14.136 4.436 152 HB3 ASP 22 2HB ASP 22 8.947 12.415 4.807 153 H GLU 23 H GLU 23 7.654 14.091 2.103 154 HA GLU 23 HA GLU 23 5.731 12.132 2.109 155 HB2 GLU 23 1HB GLU 23 6.095 14.583 0.414 156 HB3 GLU 23 2HB GLU 23 4.729 13.510 0.140 157 HG2 GLU 23 1HG GLU 23 5.252 14.477 2.902 158 HG3 GLU 23 2HG GLU 23 4.538 15.584 1.730 159 H LEU 24 H LEU 24 5.084 10.509 0.784 160 HA LEU 24 HA LEU 24 6.937 9.752 -1.347 161 HB2 LEU 24 1HB LEU 24 6.407 8.114 0.409 162 HB3 LEU 24 2HB LEU 24 4.709 8.183 -0.059 163 HG LEU 24 HG LEU 24 5.332 7.268 -2.278 164 HD11 LEU 24 1HD1 LEU 24 7.923 7.943 -1.471 165 HD12 LEU 24 2HD1 LEU 24 7.441 7.105 -2.945 166 HD13 LEU 24 3HD1 LEU 24 7.877 6.181 -1.508 167 HD21 LEU 24 3HD2 LEU 24 6.006 4.973 -1.351 168 HD22 LEU 24 1HD2 LEU 24 4.489 5.677 -0.794 169 HD23 LEU 24 2HD2 LEU 24 5.920 5.740 0.234 170 H GLY 25 H GLY 25 6.444 10.469 -3.314 171 HA2 GLY 25 1HA GLY 25 3.681 11.021 -4.037 172 HA3 GLY 25 2HA GLY 25 5.106 11.386 -5.000 173 H PHE 26 H PHE 26 2.590 10.123 -5.801 174 HA PHE 26 HA PHE 26 3.755 7.831 -7.151 175 HB2 PHE 26 1HB PHE 26 1.536 6.556 -6.565 176 HB3 PHE 26 2HB PHE 26 2.888 6.540 -5.437 177 HD1 PHE 26 2HD PHE 26 2.832 7.980 -3.426 178 HD2 PHE 26 1HD PHE 26 -0.526 7.580 -6.011 179 HE1 PHE 26 2HE PHE 26 1.373 8.888 -1.666 180 HE2 PHE 26 1HE PHE 26 -1.991 8.489 -4.255 181 HZ PHE 26 HZ PHE 26 -1.042 9.143 -2.079 182 H ARG 27 H ARG 27 1.770 6.805 -8.524 183 HA ARG 27 HA ARG 27 0.338 9.065 -9.753 184 HB2 ARG 27 1HB ARG 27 1.871 6.852 -11.112 185 HB3 ARG 27 2HB ARG 27 0.675 7.829 -11.952 186 HG2 ARG 27 1HG ARG 27 2.859 9.206 -10.478 187 HG3 ARG 27 2HG ARG 27 3.222 8.438 -12.024 188 HD2 ARG 27 1HD ARG 27 1.820 9.849 -13.202 189 HD3 ARG 27 2HD ARG 27 0.854 10.243 -11.779 190 HE ARG 27 HE ARG 27 3.351 11.251 -11.257 191 HH11 ARG 27 1HH1 ARG 27 0.957 11.672 -13.751 192 HH12 ARG 27 2HH1 ARG 27 1.402 13.312 -14.083 193 HH21 ARG 27 1HH2 ARG 27 3.945 13.411 -11.686 194 HH22 ARG 27 2HH2 ARG 27 3.103 14.301 -12.909 195 H LYS 28 H LYS 28 -1.470 8.279 -11.209 196 HA LYS 28 HA LYS 28 -3.295 6.767 -9.716 197 HB2 LYS 28 1HB LYS 28 -3.915 8.440 -11.443 198 HB3 LYS 28 2HB LYS 28 -3.363 7.325 -12.687 199 HG2 LYS 28 1HG LYS 28 -5.065 5.717 -12.021 200 HG3 LYS 28 2HG LYS 28 -5.612 6.813 -10.749 201 HD2 LYS 28 1HD LYS 28 -5.837 8.497 -12.761 202 HD3 LYS 28 2HD LYS 28 -5.940 7.011 -13.705 203 HE2 LYS 28 1HE LYS 28 -7.693 7.752 -11.365 204 HE3 LYS 28 2HE LYS 28 -8.157 7.815 -13.065 205 HZ1 LYS 28 3HZ LYS 28 -8.845 5.782 -11.723 206 HZ2 LYS 28 1HZ LYS 28 -7.225 5.304 -11.818 207 HZ3 LYS 28 2HZ LYS 28 -8.130 5.507 -13.231 208 H ASN 29 H ASN 29 -3.939 4.662 -9.767 209 HA ASN 29 HA ASN 29 -3.838 2.415 -10.109 210 HB2 ASN 29 1HB ASN 29 -2.920 3.366 -12.825 211 HB3 ASN 29 2HB ASN 29 -3.158 1.663 -12.442 212 HD21 ASN 29 1HD2 ASN 29 -4.562 2.843 -14.458 213 HD22 ASN 29 2HD2 ASN 29 -6.227 2.975 -14.014 214 H ASP 30 H ASP 30 -1.746 3.506 -8.691 215 HA ASP 30 HA ASP 30 0.548 1.890 -9.593 216 HB2 ASP 30 1HB ASP 30 0.498 4.531 -8.131 217 HB3 ASP 30 2HB ASP 30 1.935 3.513 -8.210 218 H ILE 31 H ILE 31 1.353 0.413 -8.213 219 HA ILE 31 HA ILE 31 -0.053 0.035 -5.687 220 HB ILE 31 HB ILE 31 1.968 -1.766 -7.027 221 HG12 ILE 31 1HG1 ILE 31 -0.009 -1.531 -8.422 222 HG13 ILE 31 2HG1 ILE 31 -0.009 -3.121 -7.667 223 HG21 ILE 31 1HG2 ILE 31 1.408 -1.849 -4.454 224 HG22 ILE 31 2HG2 ILE 31 -0.022 -2.708 -5.026 225 HG23 ILE 31 3HG2 ILE 31 1.588 -3.326 -5.399 226 HD11 ILE 31 3HD1 ILE 31 -1.420 -1.460 -5.921 227 HD12 ILE 31 1HD1 ILE 31 -1.977 -1.043 -7.542 228 HD13 ILE 31 2HD1 ILE 31 -2.068 -2.712 -6.979 229 H ILE 32 H ILE 32 0.798 0.481 -3.760 230 HA ILE 32 HA ILE 32 3.706 0.934 -3.585 231 HB ILE 32 HB ILE 32 1.560 2.478 -2.124 232 HG12 ILE 32 1HG1 ILE 32 3.508 3.719 -4.017 233 HG13 ILE 32 2HG1 ILE 32 2.124 2.859 -4.684 234 HG21 ILE 32 1HG2 ILE 32 4.540 2.921 -2.135 235 HG22 ILE 32 2HG2 ILE 32 3.335 3.793 -1.190 236 HG23 ILE 32 3HG2 ILE 32 3.661 2.095 -0.848 237 HD11 ILE 32 3HD1 ILE 32 1.610 5.193 -4.515 238 HD12 ILE 32 1HD1 ILE 32 0.637 4.304 -3.344 239 HD13 ILE 32 2HD1 ILE 32 2.053 5.208 -2.808 240 H THR 33 H THR 33 4.715 -0.274 -2.125 241 HA THR 33 HA THR 33 3.287 -2.111 -0.479 242 HB THR 33 HB THR 33 6.228 -1.406 -0.483 243 HG1 THR 33 1HG THR 33 5.446 -2.329 -2.451 244 HG21 THR 33 3HG2 THR 33 4.642 -3.123 1.237 245 HG22 THR 33 1HG2 THR 33 6.325 -2.621 1.391 246 HG23 THR 33 2HG2 THR 33 5.909 -4.018 0.399 247 H ILE 34 H ILE 34 2.813 -2.042 1.652 248 HA ILE 34 HA ILE 34 3.277 0.496 3.031 249 HB ILE 34 HB ILE 34 1.458 -1.796 3.780 250 HG12 ILE 34 1HG1 ILE 34 0.846 0.897 2.542 251 HG13 ILE 34 2HG1 ILE 34 0.743 -0.659 1.728 252 HG21 ILE 34 1HG2 ILE 34 1.478 -0.846 5.796 253 HG22 ILE 34 2HG2 ILE 34 2.337 0.576 5.206 254 HG23 ILE 34 3HG2 ILE 34 0.581 0.482 5.062 255 HD11 ILE 34 3HD1 ILE 34 -1.365 -0.806 2.362 256 HD12 ILE 34 1HD1 ILE 34 -0.837 -0.856 4.043 257 HD13 ILE 34 2HD1 ILE 34 -1.221 0.689 3.285 258 H ILE 35 H ILE 35 5.022 0.610 4.273 259 HA ILE 35 HA ILE 35 6.194 -1.788 5.414 260 HB ILE 35 HB ILE 35 7.129 1.070 5.684 261 HG12 ILE 35 1HG1 ILE 35 6.993 0.264 3.314 262 HG13 ILE 35 2HG1 ILE 35 8.626 0.650 3.844 263 HG21 ILE 35 1HG2 ILE 35 8.021 -1.439 6.794 264 HG22 ILE 35 2HG2 ILE 35 9.284 -0.687 5.819 265 HG23 ILE 35 3HG2 ILE 35 8.554 0.203 7.154 266 HD11 ILE 35 3HD1 ILE 35 7.728 -1.710 2.660 267 HD12 ILE 35 1HD1 ILE 35 9.319 -1.388 3.352 268 HD13 ILE 35 2HD1 ILE 35 8.054 -2.113 4.345 269 H SER 36 H SER 36 5.379 1.421 6.748 270 HA SER 36 HA SER 36 4.409 0.077 9.176 271 HB2 SER 36 1HB SER 36 6.799 1.221 9.245 272 HB3 SER 36 2HB SER 36 5.839 2.686 9.450 273 HG SER 36 HG SER 36 6.524 1.130 11.343 274 H GLN 37 H GLN 37 3.003 1.461 10.510 275 HA GLN 37 HA GLN 37 1.537 3.412 8.858 276 HB2 GLN 37 1HB GLN 37 0.371 1.642 11.011 277 HB3 GLN 37 2HB GLN 37 -0.513 2.722 9.942 278 HG2 GLN 37 1HG GLN 37 1.062 0.328 9.025 279 HG3 GLN 37 2HG GLN 37 -0.676 0.337 9.314 280 HE21 GLN 37 1HE2 GLN 37 -1.847 0.570 7.562 281 HE22 GLN 37 2HE2 GLN 37 -1.391 1.421 6.130 282 H LYS 38 H LYS 38 2.899 5.072 9.739 283 HA LYS 38 HA LYS 38 3.389 5.666 12.367 284 HB2 LYS 38 1HB LYS 38 2.874 7.448 9.997 285 HB3 LYS 38 2HB LYS 38 3.240 8.123 11.580 286 HG2 LYS 38 1HG LYS 38 5.273 6.433 11.420 287 HG3 LYS 38 2HG LYS 38 4.985 6.649 9.692 288 HD2 LYS 38 1HD LYS 38 5.186 9.016 11.521 289 HD3 LYS 38 2HD LYS 38 6.639 8.233 10.895 290 HE2 LYS 38 1HE LYS 38 5.988 8.668 8.640 291 HE3 LYS 38 2HE LYS 38 4.390 9.214 9.148 292 HZ1 LYS 38 3HZ LYS 38 6.554 10.669 10.364 293 HZ2 LYS 38 1HZ LYS 38 5.156 11.244 9.605 294 HZ3 LYS 38 2HZ LYS 38 6.508 10.821 8.680 295 H ASP 39 H ASP 39 0.525 6.628 10.488 296 HA ASP 39 HA ASP 39 -0.937 6.900 13.023 297 HB2 ASP 39 1HB ASP 39 -1.058 8.837 10.701 298 HB3 ASP 39 2HB ASP 39 -2.110 8.884 12.113 299 H GLU 40 H GLU 40 -3.417 7.394 12.246 300 HA GLU 40 HA GLU 40 -4.203 4.939 10.975 301 HB2 GLU 40 1HB GLU 40 -5.639 7.212 12.289 302 HB3 GLU 40 2HB GLU 40 -6.543 6.098 11.274 303 HG2 GLU 40 1HG GLU 40 -5.588 4.234 12.681 304 HG3 GLU 40 2HG GLU 40 -5.013 5.484 13.783 305 H HIS 41 H HIS 41 -4.157 8.353 10.130 306 HA HIS 41 HA HIS 41 -5.398 7.790 7.546 307 HB2 HIS 41 1HB HIS 41 -4.775 10.300 9.067 308 HB3 HIS 41 2HB HIS 41 -5.081 10.369 7.334 309 HD1 HIS 41 1HD HIS 41 -7.482 10.241 6.574 310 HD2 HIS 41 2HD HIS 41 -7.025 9.421 10.621 311 HE1 HIS 41 1HE HIS 41 -9.813 10.164 7.511 312 HE2 HIS 41 2HE HIS 41 -9.509 9.751 9.977 313 H CYS 42 H CYS 42 -2.344 8.799 8.959 314 HA CYS 42 HA CYS 42 -1.129 8.993 6.303 315 HB2 CYS 42 1HB CYS 42 0.009 9.646 9.031 316 HB3 CYS 42 2HB CYS 42 0.826 9.910 7.495 317 HG CYS 42 HG CYS 42 -1.906 11.443 7.037 318 H TRP 43 H TRP 43 -0.254 7.234 5.459 319 HA TRP 43 HA TRP 43 0.886 5.216 7.280 320 HB2 TRP 43 1HB TRP 43 -0.416 4.871 4.574 321 HB3 TRP 43 2HB TRP 43 0.454 3.588 5.412 322 HD1 TRP 43 HD TRP 43 -0.968 4.865 8.281 323 HE1 TRP 43 1HE TRP 43 -3.314 3.946 8.808 324 HE3 TRP 43 3HE TRP 43 -2.183 3.039 3.662 325 HZ2 TRP 43 2HZ TRP 43 -5.403 2.624 7.447 326 HZ3 TRP 43 3HZ TRP 43 -4.375 1.962 3.359 327 HH2 TRP 43 HH TRP 43 -5.950 1.759 5.214 328 H VAL 44 H VAL 44 2.774 4.074 6.542 329 HA VAL 44 HA VAL 44 4.409 5.680 4.688 330 HB VAL 44 HB VAL 44 5.333 3.957 6.993 331 HG11 VAL 44 1HG1 VAL 44 7.174 5.846 5.673 332 HG12 VAL 44 2HG1 VAL 44 7.477 4.241 6.339 333 HG13 VAL 44 3HG1 VAL 44 6.739 4.412 4.746 334 HG21 VAL 44 3HG2 VAL 44 5.281 6.955 6.658 335 HG22 VAL 44 1HG2 VAL 44 4.284 6.006 7.760 336 HG23 VAL 44 2HG2 VAL 44 6.030 6.093 8.000 337 H GLY 45 H GLY 45 4.918 4.737 2.830 338 HA2 GLY 45 1HA GLY 45 5.132 1.791 2.767 339 HA3 GLY 45 2HA GLY 45 4.270 2.671 1.514 340 H GLU 46 H GLU 46 5.886 1.384 0.216 341 HA GLU 46 HA GLU 46 8.311 3.013 -0.141 342 HB2 GLU 46 1HB GLU 46 8.729 0.757 0.959 343 HB3 GLU 46 2HB GLU 46 8.238 0.027 -0.563 344 HG2 GLU 46 1HG GLU 46 10.457 2.038 -0.379 345 HG3 GLU 46 2HG GLU 46 10.718 0.306 -0.184 346 H LEU 47 H LEU 47 8.836 3.531 -2.208 347 HA LEU 47 HA LEU 47 7.847 2.134 -4.485 348 HB2 LEU 47 1HB LEU 47 5.814 3.360 -3.719 349 HB3 LEU 47 2HB LEU 47 6.684 4.870 -3.982 350 HG LEU 47 HG LEU 47 6.942 3.953 -6.420 351 HD11 LEU 47 1HD1 LEU 47 5.675 1.799 -5.436 352 HD12 LEU 47 2HD1 LEU 47 5.574 2.302 -7.122 353 HD13 LEU 47 3HD1 LEU 47 4.288 2.736 -5.994 354 HD21 LEU 47 3HD2 LEU 47 4.471 4.843 -6.775 355 HD22 LEU 47 1HD2 LEU 47 5.793 5.918 -6.315 356 HD23 LEU 47 2HD2 LEU 47 4.670 5.328 -5.090 357 H ASN 48 H ASN 48 8.780 2.848 -6.421 358 HA ASN 48 HA ASN 48 10.564 3.612 -7.626 359 HB2 ASN 48 1HB ASN 48 9.472 6.105 -6.331 360 HB3 ASN 48 2HB ASN 48 10.804 6.169 -7.483 361 HD21 ASN 48 1HD2 ASN 48 7.565 6.448 -7.178 362 HD22 ASN 48 2HD2 ASN 48 7.080 6.083 -8.795 363 H GLY 49 H GLY 49 11.285 2.493 -5.108 364 HA2 GLY 49 1HA GLY 49 13.179 2.255 -3.831 365 HA3 GLY 49 2HA GLY 49 13.965 3.381 -4.928 366 H LEU 50 H LEU 50 11.083 4.222 -3.142 367 HA LEU 50 HA LEU 50 12.709 5.886 -1.340 368 HB2 LEU 50 1HB LEU 50 10.085 6.760 -2.520 369 HB3 LEU 50 2HB LEU 50 11.231 7.727 -1.595 370 HG LEU 50 HG LEU 50 11.751 6.632 -4.358 371 HD11 LEU 50 1HD1 LEU 50 10.801 9.334 -3.435 372 HD12 LEU 50 2HD1 LEU 50 10.018 8.237 -4.571 373 HD13 LEU 50 3HD1 LEU 50 11.520 9.044 -5.019 374 HD21 LEU 50 3HD2 LEU 50 13.400 8.791 -3.878 375 HD22 LEU 50 1HD2 LEU 50 13.866 7.091 -3.826 376 HD23 LEU 50 2HD2 LEU 50 13.399 7.922 -2.342 377 H ARG 51 H ARG 51 11.628 6.503 0.652 378 HA ARG 51 HA ARG 51 9.303 4.884 1.379 379 HB2 ARG 51 1HB ARG 51 12.027 4.713 2.606 380 HB3 ARG 51 2HB ARG 51 10.612 4.474 3.623 381 HG2 ARG 51 1HG ARG 51 9.872 2.718 1.968 382 HG3 ARG 51 2HG ARG 51 11.477 2.854 1.248 383 HD2 ARG 51 1HD ARG 51 11.208 2.408 4.188 384 HD3 ARG 51 2HD ARG 51 10.994 1.052 3.081 385 HE ARG 51 HE ARG 51 13.250 1.112 2.598 386 HH11 ARG 51 1HH1 ARG 51 12.349 3.898 4.482 387 HH12 ARG 51 2HH1 ARG 51 13.986 4.372 4.803 388 HH21 ARG 51 1HH2 ARG 51 15.407 1.725 3.014 389 HH22 ARG 51 2HH2 ARG 51 15.724 3.136 3.965 390 H GLY 52 H GLY 52 7.869 6.358 2.014 391 HA2 GLY 52 1HA GLY 52 8.582 8.182 4.166 392 HA3 GLY 52 2HA GLY 52 8.097 8.942 2.657 393 H TRP 53 H TRP 53 6.430 9.840 4.161 394 HA TRP 53 HA TRP 53 4.265 7.965 4.759 395 HB2 TRP 53 1HB TRP 53 3.358 9.644 6.184 396 HB3 TRP 53 2HB TRP 53 5.095 9.631 6.475 397 HD1 TRP 53 HD TRP 53 6.484 11.640 5.040 398 HE1 TRP 53 1HE TRP 53 5.773 14.087 4.689 399 HE3 TRP 53 3HE TRP 53 1.481 11.172 5.984 400 HZ2 TRP 53 2HZ TRP 53 3.403 15.619 4.798 401 HZ3 TRP 53 3HZ TRP 53 0.063 13.177 5.840 402 HH2 TRP 53 HH TRP 53 1.005 15.353 5.260 403 H PHE 54 H PHE 54 2.011 8.751 4.326 404 HA PHE 54 HA PHE 54 1.494 10.682 2.329 405 HB2 PHE 54 1HB PHE 54 0.916 9.231 0.455 406 HB3 PHE 54 2HB PHE 54 2.609 9.014 0.888 407 HD1 PHE 54 1HD PHE 54 -0.750 7.511 1.099 408 HD2 PHE 54 2HD PHE 54 3.433 6.921 1.610 409 HE1 PHE 54 1HE PHE 54 -1.120 5.088 1.309 410 HE2 PHE 54 2HE PHE 54 3.071 4.498 1.821 411 HZ PHE 54 HZ PHE 54 0.791 3.577 1.670 412 HA PRO 55 HA PRO 55 -2.561 10.155 3.924 413 HB2 PRO 55 1HB PRO 55 -4.049 11.108 1.862 414 HB3 PRO 55 2HB PRO 55 -3.082 12.152 2.911 415 HG2 PRO 55 1HG PRO 55 -2.441 11.086 0.188 416 HG3 PRO 55 2HG PRO 55 -2.185 12.716 0.841 417 HD2 PRO 55 1HD PRO 55 -0.194 10.891 0.660 418 HD3 PRO 55 2HD PRO 55 -0.262 12.105 1.954 419 H ALA 56 H ALA 56 -3.201 8.084 4.169 420 HA ALA 56 HA ALA 56 -3.323 6.095 2.245 421 HB1 ALA 56 3HB ALA 56 -5.193 5.190 3.877 422 HB2 ALA 56 1HB ALA 56 -3.495 5.232 4.349 423 HB3 ALA 56 2HB ALA 56 -4.595 6.495 4.901 424 H LYS 57 H LYS 57 -5.707 8.533 3.099 425 HA LYS 57 HA LYS 57 -7.964 7.538 1.853 426 HB2 LYS 57 1HB LYS 57 -8.614 9.942 1.538 427 HB3 LYS 57 2HB LYS 57 -8.123 9.525 3.174 428 HG2 LYS 57 1HG LYS 57 -5.809 10.386 2.489 429 HG3 LYS 57 2HG LYS 57 -6.644 11.125 1.121 430 HD2 LYS 57 1HD LYS 57 -7.698 11.542 3.884 431 HD3 LYS 57 2HD LYS 57 -6.294 12.465 3.343 432 HE2 LYS 57 1HE LYS 57 -8.042 13.857 2.757 433 HE3 LYS 57 2HE LYS 57 -7.759 12.973 1.258 434 HZ1 LYS 57 3HZ LYS 57 -9.625 11.648 2.975 435 HZ2 LYS 57 1HZ LYS 57 -9.778 12.081 1.346 436 HZ3 LYS 57 2HZ LYS 57 -10.142 13.204 2.557 437 H PHE 58 H PHE 58 -5.148 9.081 0.445 438 HA PHE 58 HA PHE 58 -6.226 9.508 -2.137 439 HB2 PHE 58 1HB PHE 58 -3.498 9.470 -0.942 440 HB3 PHE 58 2HB PHE 58 -3.623 9.327 -2.692 441 HD1 PHE 58 2HD PHE 58 -4.947 11.415 0.100 442 HD2 PHE 58 1HD PHE 58 -3.621 11.252 -3.942 443 HE1 PHE 58 2HE PHE 58 -5.193 13.856 -0.074 444 HE2 PHE 58 1HE PHE 58 -3.863 13.695 -4.122 445 HZ PHE 58 HZ PHE 58 -4.651 14.999 -2.188 446 H VAL 59 H VAL 59 -4.905 6.729 -0.542 447 HA VAL 59 HA VAL 59 -5.074 5.210 -3.063 448 HB VAL 59 HB VAL 59 -3.436 3.686 -2.262 449 HG11 VAL 59 1HG1 VAL 59 -2.714 6.562 -1.796 450 HG12 VAL 59 2HG1 VAL 59 -1.519 5.270 -1.662 451 HG13 VAL 59 3HG1 VAL 59 -2.355 5.544 -3.191 452 HG21 VAL 59 3HG2 VAL 59 -3.399 5.163 0.366 453 HG22 VAL 59 1HG2 VAL 59 -4.271 3.656 0.089 454 HG23 VAL 59 2HG2 VAL 59 -2.514 3.696 -0.050 455 H GLU 60 H GLU 60 -5.508 2.801 -2.621 456 HA GLU 60 HA GLU 60 -7.553 2.533 -0.519 457 HB2 GLU 60 1HB GLU 60 -8.690 2.766 -2.644 458 HB3 GLU 60 2HB GLU 60 -7.679 1.522 -3.363 459 HG2 GLU 60 1HG GLU 60 -9.672 0.424 -2.930 460 HG3 GLU 60 2HG GLU 60 -8.648 -0.029 -1.568 461 H VAL 61 H VAL 61 -7.494 0.707 0.678 462 HA VAL 61 HA VAL 61 -5.167 -0.903 0.639 463 HB VAL 61 HB VAL 61 -7.785 -1.367 2.077 464 HG11 VAL 61 1HG1 VAL 61 -6.718 -3.439 2.110 465 HG12 VAL 61 2HG1 VAL 61 -5.114 -2.718 2.246 466 HG13 VAL 61 3HG1 VAL 61 -6.213 -2.689 3.624 467 HG21 VAL 61 3HG2 VAL 61 -6.220 -0.556 4.019 468 HG22 VAL 61 1HG2 VAL 61 -5.336 0.216 2.703 469 HG23 VAL 61 2HG2 VAL 61 -7.032 0.612 2.977 470 H LEU 62 H LEU 62 -5.078 -3.235 0.393 471 HA LEU 62 HA LEU 62 -7.168 -4.435 -1.254 472 HB2 LEU 62 1HB LEU 62 -4.366 -4.849 -2.153 473 HB3 LEU 62 2HB LEU 62 -5.867 -4.901 -3.076 474 HG LEU 62 HG LEU 62 -4.825 -2.292 -2.040 475 HD11 LEU 62 1HD1 LEU 62 -4.103 -3.085 -4.793 476 HD12 LEU 62 2HD1 LEU 62 -3.163 -3.807 -3.488 477 HD13 LEU 62 3HD1 LEU 62 -3.250 -2.053 -3.643 478 HD21 LEU 62 3HD2 LEU 62 -6.938 -3.225 -3.788 479 HD22 LEU 62 1HD2 LEU 62 -5.911 -2.025 -4.575 480 HD23 LEU 62 2HD2 LEU 62 -6.702 -1.642 -3.046 481 H ASP 63 H ASP 63 -7.632 -6.371 -0.467 482 HA ASP 63 HA ASP 63 -5.781 -7.669 1.359 483 HB2 ASP 63 1HB ASP 63 -8.151 -7.489 1.986 484 HB3 ASP 63 2HB ASP 63 -8.601 -8.418 0.559 485 H GLU 64 H GLU 64 -5.124 -7.568 -1.471 486 HA GLU 64 HA GLU 64 -4.540 -8.908 -3.239 487 HB2 GLU 64 1HB GLU 64 -3.825 -10.627 -0.861 488 HB3 GLU 64 2HB GLU 64 -3.299 -10.966 -2.505 489 HG2 GLU 64 1HG GLU 64 -2.409 -8.495 -2.375 490 HG3 GLU 64 2HG GLU 64 -2.444 -8.816 -0.642 491 H ARG 65 H ARG 65 -7.306 -9.087 -2.627 492 HA ARG 65 HA ARG 65 -8.127 -11.829 -2.617 493 HB2 ARG 65 1HB ARG 65 -10.347 -11.012 -2.796 494 HB3 ARG 65 2HB ARG 65 -9.487 -9.871 -1.769 495 HG2 ARG 65 1HG ARG 65 -9.602 -9.309 -4.681 496 HG3 ARG 65 2HG ARG 65 -11.066 -9.076 -3.726 497 HD2 ARG 65 1HD ARG 65 -9.609 -7.719 -2.133 498 HD3 ARG 65 2HD ARG 65 -8.394 -7.737 -3.411 499 HE ARG 65 HE ARG 65 -10.556 -6.822 -4.705 500 HH11 ARG 65 1HH1 ARG 65 -9.097 -5.912 -1.679 501 HH12 ARG 65 2HH1 ARG 65 -9.599 -4.257 -1.784 502 HH21 ARG 65 1HH2 ARG 65 -11.223 -4.646 -4.857 503 HH22 ARG 65 2HH2 ARG 65 -10.809 -3.538 -3.593 504 H SER 66 H SER 66 -9.913 -12.295 -4.469 505 HA SER 66 HA SER 66 -10.185 -13.020 -6.610 506 HB2 SER 66 1HB SER 66 -8.902 -10.331 -7.073 507 HB3 SER 66 2HB SER 66 -9.417 -11.362 -8.408 508 HG SER 66 HG SER 66 -11.207 -10.786 -6.322 509 H LYS 67 H LYS 67 -8.052 -14.162 -5.300 510 HA LYS 67 HA LYS 67 -5.934 -14.296 -7.337 511 HB2 LYS 67 1HB LYS 67 -5.535 -13.795 -4.772 512 HB3 LYS 67 2HB LYS 67 -5.637 -15.546 -4.640 513 HG2 LYS 67 1HG LYS 67 -3.355 -15.060 -4.863 514 HG3 LYS 67 2HG LYS 67 -3.865 -15.647 -6.447 515 HD2 LYS 67 1HD LYS 67 -2.628 -13.785 -7.020 516 HD3 LYS 67 2HD LYS 67 -4.258 -13.112 -6.939 517 HE2 LYS 67 1HE LYS 67 -3.848 -12.009 -4.957 518 HE3 LYS 67 2HE LYS 67 -2.546 -13.104 -4.495 519 HZ1 LYS 67 3HZ LYS 67 -1.567 -11.985 -6.730 520 HZ2 LYS 67 1HZ LYS 67 -1.241 -11.433 -5.164 521 HZ3 LYS 67 2HZ LYS 67 -2.451 -10.695 -6.085 522 H GLU 68 H GLU 68 -5.860 -16.023 -8.606 523 HA GLU 68 HA GLU 68 -7.626 -18.249 -8.155 524 HB2 GLU 68 1HB GLU 68 -6.736 -19.095 -10.291 525 HB3 GLU 68 2HB GLU 68 -7.278 -17.428 -10.417 526 HG2 GLU 68 1HG GLU 68 -5.083 -16.606 -10.491 527 HG3 GLU 68 2HG GLU 68 -4.404 -18.134 -9.933 528 H TYR 69 H TYR 69 -5.937 -18.155 -6.029 529 HA TYR 69 HA TYR 69 -4.387 -20.616 -6.395 530 HB2 TYR 69 1HB TYR 69 -3.381 -18.112 -5.030 531 HB3 TYR 69 2HB TYR 69 -2.579 -19.678 -4.953 532 HD1 TYR 69 2HD TYR 69 -3.945 -17.369 -7.566 533 HD2 TYR 69 1HD TYR 69 -0.807 -19.993 -6.388 534 HE1 TYR 69 2HE TYR 69 -2.733 -16.845 -9.641 535 HE2 TYR 69 1HE TYR 69 0.412 -19.475 -8.459 536 HH TYR 69 HH TYR 69 -0.815 -17.079 -10.764 537 H SER 70 H SER 70 -4.088 -21.851 -4.478 538 HA SER 70 HA SER 70 -5.925 -21.119 -2.291 539 HB2 SER 70 1HB SER 70 -5.465 -23.767 -3.645 540 HB3 SER 70 2HB SER 70 -6.094 -23.691 -1.999 541 HG SER 70 HG SER 70 -7.960 -23.248 -2.828 542 H ILE 71 H ILE 71 -5.254 -21.461 -0.204 543 HA ILE 71 HA ILE 71 -2.444 -22.288 0.121 544 HB ILE 71 HB ILE 71 -4.015 -20.322 1.793 545 HG12 ILE 71 1HG1 ILE 71 -1.566 -19.758 0.130 546 HG13 ILE 71 2HG1 ILE 71 -3.189 -19.632 -0.540 547 HG21 ILE 71 1HG2 ILE 71 -2.465 -21.576 3.164 548 HG22 ILE 71 2HG2 ILE 71 -1.158 -21.257 2.026 549 HG23 ILE 71 3HG2 ILE 71 -1.872 -19.931 2.945 550 HD11 ILE 71 3HD1 ILE 71 -3.734 -17.985 1.221 551 HD12 ILE 71 1HD1 ILE 71 -2.056 -18.056 1.757 552 HD13 ILE 71 2HD1 ILE 71 -2.442 -17.463 0.142 553 H ALA 72 H ALA 72 -2.264 -24.202 1.062 554 HA ALA 72 HA ALA 72 -4.303 -25.013 3.026 555 HB1 ALA 72 3HB ALA 72 -2.570 -26.651 1.192 556 HB2 ALA 72 1HB ALA 72 -3.485 -27.348 2.530 557 HB3 ALA 72 2HB ALA 72 -4.329 -26.533 1.212 558 H SER 73 H SER 73 -3.715 -25.321 5.079 559 HA SER 73 HA SER 73 -0.833 -25.424 5.692 560 HB2 SER 73 1HB SER 73 -3.104 -24.048 7.109 561 HB3 SER 73 2HB SER 73 -1.613 -24.454 7.959 562 HG SER 73 HG SER 73 -1.155 -22.504 7.186 563 H GLY 74 H GLY 74 -0.185 -26.693 7.512 564 HA2 GLY 74 1HA GLY 74 -1.853 -28.276 9.086 565 HA3 GLY 74 2HA GLY 74 -1.472 -29.209 7.648 566 HA PRO 75 HA PRO 75 2.169 -30.600 9.672 567 HB2 PRO 75 1HB PRO 75 3.636 -31.321 7.505 568 HB3 PRO 75 2HB PRO 75 2.250 -32.253 8.079 569 HG2 PRO 75 1HG PRO 75 2.403 -30.271 5.842 570 HG3 PRO 75 2HG PRO 75 1.583 -31.841 5.889 571 HD2 PRO 75 1HD PRO 75 0.265 -29.498 6.215 572 HD3 PRO 75 2HD PRO 75 -0.238 -30.997 7.024 573 H SER 76 H SER 76 2.611 -28.425 6.899 574 HA SER 76 HA SER 76 5.224 -27.669 7.232 575 HB2 SER 76 1HB SER 76 3.558 -26.916 5.439 576 HB3 SER 76 2HB SER 76 3.065 -25.664 6.580 577 HG SER 76 HG SER 76 5.363 -25.881 5.074 578 H SER 77 H SER 77 2.403 -26.069 8.713 579 HA SER 77 HA SER 77 4.131 -25.259 10.943 580 HB2 SER 77 1HB SER 77 2.319 -23.475 9.320 581 HB3 SER 77 2HB SER 77 2.832 -23.053 10.954 582 HG SER 77 HG SER 77 4.637 -23.697 8.866 583 H GLY 78 H GLY 78 3.264 -25.628 12.890 584 HA2 GLY 78 1HA GLY 78 0.361 -25.743 13.193 585 HA3 GLY 78 2HA GLY 78 1.253 -27.217 13.539 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -8.993 -17.203 10.661 2 HA2 GLY 1 1HA GLY 1 -6.750 -15.579 11.689 3 HA3 GLY 1 2HA GLY 1 -6.486 -17.154 10.959 4 H SER 2 H SER 2 -6.107 -17.242 8.835 5 HA SER 2 HA SER 2 -6.018 -16.657 6.628 6 HB2 SER 2 1HB SER 2 -8.427 -15.737 7.242 7 HB3 SER 2 2HB SER 2 -7.632 -14.177 7.041 8 HG SER 2 HG SER 2 -7.184 -14.674 4.943 9 H SER 3 H SER 3 -3.924 -16.016 8.161 10 HA SER 3 HA SER 3 -3.254 -13.212 7.686 11 HB2 SER 3 1HB SER 3 -2.793 -14.569 9.882 12 HB3 SER 3 2HB SER 3 -1.391 -15.164 8.995 13 HG SER 3 HG SER 3 -0.934 -12.855 8.608 14 H GLY 4 H GLY 4 -3.154 -13.469 5.363 15 HA2 GLY 4 1HA GLY 4 -1.551 -15.227 3.954 16 HA3 GLY 4 2HA GLY 4 -1.928 -13.596 3.424 17 H SER 5 H SER 5 -0.624 -11.957 5.033 18 HA SER 5 HA SER 5 2.048 -12.798 5.625 19 HB2 SER 5 1HB SER 5 3.219 -11.498 3.954 20 HB3 SER 5 2HB SER 5 2.121 -12.606 3.133 21 HG SER 5 HG SER 5 2.177 -9.896 3.098 22 H SER 6 H SER 6 3.407 -10.954 6.356 23 HA SER 6 HA SER 6 1.899 -9.268 8.084 24 HB2 SER 6 1HB SER 6 4.806 -9.650 7.488 25 HB3 SER 6 2HB SER 6 4.302 -8.214 8.379 26 HG SER 6 HG SER 6 4.717 -9.812 9.863 27 H GLY 7 H GLY 7 4.082 -8.531 5.356 28 HA2 GLY 7 1HA GLY 7 3.515 -5.770 5.288 29 HA3 GLY 7 2HA GLY 7 4.203 -6.706 3.969 30 H ARG 8 H ARG 8 2.352 -4.560 3.691 31 HA ARG 8 HA ARG 8 0.145 -6.019 2.413 32 HB2 ARG 8 1HB ARG 8 -0.013 -3.741 4.339 33 HB3 ARG 8 2HB ARG 8 -1.191 -3.824 3.037 34 HG2 ARG 8 1HG ARG 8 -1.656 -6.198 3.813 35 HG3 ARG 8 2HG ARG 8 -0.728 -5.786 5.258 36 HD2 ARG 8 1HD ARG 8 -2.280 -4.203 5.956 37 HD3 ARG 8 2HD ARG 8 -2.974 -4.033 4.345 38 HE ARG 8 HE ARG 8 -3.457 -6.638 5.129 39 HH11 ARG 8 1HH1 ARG 8 -4.273 -3.439 6.235 40 HH12 ARG 8 2HH1 ARG 8 -5.781 -3.924 6.935 41 HH21 ARG 8 1HH2 ARG 8 -5.442 -7.288 6.045 42 HH22 ARG 8 2HH2 ARG 8 -6.445 -6.114 6.825 43 H ARG 9 H ARG 9 -1.065 -4.495 0.861 44 HA ARG 9 HA ARG 9 0.706 -2.515 -0.361 45 HB2 ARG 9 1HB ARG 9 -0.486 -4.866 -1.844 46 HB3 ARG 9 2HB ARG 9 0.303 -3.493 -2.611 47 HG2 ARG 9 1HG ARG 9 2.274 -4.185 -0.987 48 HG3 ARG 9 2HG ARG 9 1.474 -5.755 -1.096 49 HD2 ARG 9 1HD ARG 9 2.146 -4.149 -3.542 50 HD3 ARG 9 2HD ARG 9 3.322 -5.229 -2.792 51 HE ARG 9 HE ARG 9 1.086 -5.977 -4.402 52 HH11 ARG 9 1HH1 ARG 9 3.116 -6.998 -1.764 53 HH12 ARG 9 2HH1 ARG 9 2.841 -8.686 -2.034 54 HH21 ARG 9 1HH2 ARG 9 0.715 -8.200 -4.766 55 HH22 ARG 9 2HH2 ARG 9 1.476 -9.369 -3.742 56 H ALA 10 H ALA 10 -0.351 -0.813 -1.237 57 HA ALA 10 HA ALA 10 -3.294 -0.973 -1.355 58 HB1 ALA 10 3HB ALA 10 -2.867 0.431 0.460 59 HB2 ALA 10 1HB ALA 10 -1.512 1.219 -0.349 60 HB3 ALA 10 2HB ALA 10 -3.164 1.543 -0.876 61 H LYS 11 H LYS 11 -4.342 0.062 -3.048 62 HA LYS 11 HA LYS 11 -2.636 0.645 -5.356 63 HB2 LYS 11 1HB LYS 11 -4.403 -1.056 -5.627 64 HB3 LYS 11 2HB LYS 11 -5.617 0.150 -5.220 65 HG2 LYS 11 1HG LYS 11 -5.153 1.390 -7.206 66 HG3 LYS 11 2HG LYS 11 -3.757 0.376 -7.573 67 HD2 LYS 11 1HD LYS 11 -5.527 -0.359 -8.975 68 HD3 LYS 11 2HD LYS 11 -5.344 -1.574 -7.708 69 HE2 LYS 11 1HE LYS 11 -7.174 -0.284 -6.467 70 HE3 LYS 11 2HE LYS 11 -7.476 0.520 -8.007 71 HZ1 LYS 11 3HZ LYS 11 -8.494 -1.272 -8.820 72 HZ2 LYS 11 1HZ LYS 11 -8.582 -1.820 -7.219 73 HZ3 LYS 11 2HZ LYS 11 -7.324 -2.340 -8.224 74 H ALA 12 H ALA 12 -2.459 2.628 -6.205 75 HA ALA 12 HA ALA 12 -3.605 4.862 -4.821 76 HB1 ALA 12 3HB ALA 12 -1.940 4.753 -7.332 77 HB2 ALA 12 1HB ALA 12 -2.369 6.222 -6.457 78 HB3 ALA 12 2HB ALA 12 -1.349 5.004 -5.691 79 H LEU 13 H LEU 13 -5.552 5.681 -5.175 80 HA LEU 13 HA LEU 13 -7.107 4.916 -7.465 81 HB2 LEU 13 1HB LEU 13 -7.821 7.033 -5.458 82 HB3 LEU 13 2HB LEU 13 -8.907 6.054 -6.443 83 HG LEU 13 HG LEU 13 -7.171 4.835 -4.316 84 HD11 LEU 13 1HD1 LEU 13 -8.321 6.103 -2.855 85 HD12 LEU 13 2HD1 LEU 13 -9.600 4.925 -3.157 86 HD13 LEU 13 3HD1 LEU 13 -9.602 6.468 -4.014 87 HD21 LEU 13 3HD2 LEU 13 -9.671 3.570 -4.628 88 HD22 LEU 13 1HD2 LEU 13 -8.078 2.961 -5.080 89 HD23 LEU 13 2HD2 LEU 13 -9.039 3.868 -6.249 90 H LEU 14 H LEU 14 -4.989 7.484 -6.703 91 HA LEU 14 HA LEU 14 -5.408 8.677 -9.289 92 HB2 LEU 14 1HB LEU 14 -5.918 10.896 -8.527 93 HB3 LEU 14 2HB LEU 14 -7.133 9.774 -7.919 94 HG LEU 14 HG LEU 14 -4.840 10.514 -6.158 95 HD11 LEU 14 1HD1 LEU 14 -7.309 12.213 -6.315 96 HD12 LEU 14 2HD1 LEU 14 -5.847 12.605 -7.219 97 HD13 LEU 14 3HD1 LEU 14 -5.800 12.529 -5.457 98 HD21 LEU 14 3HD2 LEU 14 -6.438 8.782 -5.478 99 HD22 LEU 14 1HD2 LEU 14 -7.758 9.941 -5.643 100 HD23 LEU 14 2HD2 LEU 14 -6.512 10.192 -4.420 101 H ASP 15 H ASP 15 -3.929 10.732 -9.442 102 HA ASP 15 HA ASP 15 -1.304 9.871 -8.561 103 HB2 ASP 15 1HB ASP 15 -1.253 10.548 -10.791 104 HB3 ASP 15 2HB ASP 15 -2.318 11.921 -10.502 105 H PHE 16 H PHE 16 -0.092 10.802 -7.017 106 HA PHE 16 HA PHE 16 -1.184 13.198 -5.700 107 HB2 PHE 16 1HB PHE 16 -1.333 11.243 -4.252 108 HB3 PHE 16 2HB PHE 16 0.379 10.908 -4.491 109 HD1 PHE 16 1HD PHE 16 -1.567 13.976 -3.627 110 HD2 PHE 16 2HD PHE 16 1.574 11.301 -2.579 111 HE1 PHE 16 1HE PHE 16 -1.027 15.378 -1.679 112 HE2 PHE 16 2HE PHE 16 2.119 12.699 -0.629 113 HZ PHE 16 HZ PHE 16 0.816 14.740 -0.176 114 H GLU 17 H GLU 17 0.082 14.944 -5.551 115 HA GLU 17 HA GLU 17 2.831 14.719 -6.545 116 HB2 GLU 17 1HB GLU 17 0.790 16.882 -6.510 117 HB3 GLU 17 2HB GLU 17 2.477 17.365 -6.413 118 HG2 GLU 17 1HG GLU 17 1.649 15.440 -8.525 119 HG3 GLU 17 2HG GLU 17 1.265 17.149 -8.719 120 H ARG 18 H ARG 18 4.141 14.227 -4.877 121 HA ARG 18 HA ARG 18 3.763 15.190 -2.225 122 HB2 ARG 18 1HB ARG 18 5.687 13.984 -1.662 123 HB3 ARG 18 2HB ARG 18 5.013 13.076 -3.008 124 HG2 ARG 18 1HG ARG 18 6.632 14.647 -4.395 125 HG3 ARG 18 2HG ARG 18 7.493 14.687 -2.855 126 HD2 ARG 18 1HD ARG 18 7.775 12.340 -2.846 127 HD3 ARG 18 2HD ARG 18 6.618 12.123 -4.158 128 HE ARG 18 HE ARG 18 9.400 12.803 -4.394 129 HH11 ARG 18 1HH1 ARG 18 6.275 12.961 -5.921 130 HH12 ARG 18 2HH1 ARG 18 6.920 13.098 -7.523 131 HH21 ARG 18 1HH2 ARG 18 10.260 12.984 -6.498 132 HH22 ARG 18 2HH2 ARG 18 9.187 13.111 -7.850 133 H HIS 19 H HIS 19 4.389 17.041 -1.323 134 HA HIS 19 HA HIS 19 5.883 18.950 -2.929 135 HB2 HIS 19 1HB HIS 19 5.326 20.513 -1.015 136 HB3 HIS 19 2HB HIS 19 3.943 19.860 -1.890 137 HD1 HIS 19 1HD HIS 19 2.341 18.344 -0.605 138 HD2 HIS 19 2HD HIS 19 5.640 19.536 1.624 139 HE1 HIS 19 1HE HIS 19 1.827 17.681 1.766 140 HE2 HIS 19 2HE HIS 19 3.799 18.488 3.108 141 H ASP 20 H ASP 20 6.191 17.179 0.102 142 HA ASP 20 HA ASP 20 8.915 18.242 0.417 143 HB2 ASP 20 1HB ASP 20 6.854 17.260 2.326 144 HB3 ASP 20 2HB ASP 20 8.540 16.954 2.731 145 H ASP 21 H ASP 21 10.667 16.870 0.651 146 HA ASP 21 HA ASP 21 10.833 14.612 -0.874 147 HB2 ASP 21 1HB ASP 21 12.866 15.566 -0.157 148 HB3 ASP 21 2HB ASP 21 12.412 15.465 1.543 149 H ASP 22 H ASP 22 10.113 14.769 2.594 150 HA ASP 22 HA ASP 22 10.038 12.050 3.150 151 HB2 ASP 22 1HB ASP 22 8.165 12.880 4.844 152 HB3 ASP 22 2HB ASP 22 9.864 13.285 5.074 153 H GLU 23 H GLU 23 7.405 14.167 2.044 154 HA GLU 23 HA GLU 23 5.348 12.301 2.039 155 HB2 GLU 23 1HB GLU 23 5.885 14.778 0.442 156 HB3 GLU 23 2HB GLU 23 4.500 13.770 0.045 157 HG2 GLU 23 1HG GLU 23 4.071 13.987 2.648 158 HG3 GLU 23 2HG GLU 23 4.996 15.469 2.419 159 H LEU 24 H LEU 24 5.152 10.437 1.009 160 HA LEU 24 HA LEU 24 6.843 9.802 -1.244 161 HB2 LEU 24 1HB LEU 24 6.427 8.152 0.506 162 HB3 LEU 24 2HB LEU 24 4.703 8.190 0.139 163 HG LEU 24 HG LEU 24 5.254 7.303 -2.139 164 HD11 LEU 24 1HD1 LEU 24 7.548 7.944 -2.344 165 HD12 LEU 24 2HD1 LEU 24 7.471 6.183 -2.353 166 HD13 LEU 24 3HD1 LEU 24 7.987 7.034 -0.898 167 HD21 LEU 24 3HD2 LEU 24 4.776 5.300 -1.305 168 HD22 LEU 24 1HD2 LEU 24 4.998 5.990 0.303 169 HD23 LEU 24 2HD2 LEU 24 6.345 5.187 -0.506 170 H GLY 25 H GLY 25 6.296 10.497 -3.207 171 HA2 GLY 25 1HA GLY 25 3.507 10.937 -3.898 172 HA3 GLY 25 2HA GLY 25 4.904 11.345 -4.882 173 H PHE 26 H PHE 26 2.743 10.225 -6.082 174 HA PHE 26 HA PHE 26 3.871 7.899 -7.274 175 HB2 PHE 26 1HB PHE 26 1.722 6.514 -6.709 176 HB3 PHE 26 2HB PHE 26 3.061 6.559 -5.567 177 HD1 PHE 26 2HD PHE 26 2.881 7.788 -3.485 178 HD2 PHE 26 1HD PHE 26 -0.366 7.617 -6.231 179 HE1 PHE 26 2HE PHE 26 1.362 8.609 -1.733 180 HE2 PHE 26 1HE PHE 26 -1.891 8.438 -4.484 181 HZ PHE 26 HZ PHE 26 -1.029 8.934 -2.231 182 H ARG 27 H ARG 27 1.927 6.804 -8.657 183 HA ARG 27 HA ARG 27 0.479 9.041 -9.914 184 HB2 ARG 27 1HB ARG 27 1.775 6.666 -11.263 185 HB3 ARG 27 2HB ARG 27 0.771 7.859 -12.077 186 HG2 ARG 27 1HG ARG 27 3.150 8.784 -10.546 187 HG3 ARG 27 2HG ARG 27 3.379 8.034 -12.126 188 HD2 ARG 27 1HD ARG 27 1.380 10.231 -11.759 189 HD3 ARG 27 2HD ARG 27 3.090 10.605 -11.968 190 HE ARG 27 HE ARG 27 2.562 8.937 -14.031 191 HH11 ARG 27 1HH1 ARG 27 1.069 11.857 -12.867 192 HH12 ARG 27 2HH1 ARG 27 0.530 12.361 -14.434 193 HH21 ARG 27 1HH2 ARG 27 1.858 9.590 -16.100 194 HH22 ARG 27 2HH2 ARG 27 0.978 11.070 -16.272 195 H LYS 28 H LYS 28 -1.425 8.326 -11.213 196 HA LYS 28 HA LYS 28 -3.203 6.841 -9.627 197 HB2 LYS 28 1HB LYS 28 -3.876 8.588 -11.261 198 HB3 LYS 28 2HB LYS 28 -3.452 7.491 -12.570 199 HG2 LYS 28 1HG LYS 28 -5.148 5.895 -11.704 200 HG3 LYS 28 2HG LYS 28 -5.629 7.117 -10.526 201 HD2 LYS 28 1HD LYS 28 -5.535 7.856 -13.413 202 HD3 LYS 28 2HD LYS 28 -6.886 6.882 -12.825 203 HE2 LYS 28 1HE LYS 28 -7.750 8.960 -12.476 204 HE3 LYS 28 2HE LYS 28 -6.920 8.738 -10.937 205 HZ1 LYS 28 3HZ LYS 28 -6.244 10.488 -13.177 206 HZ2 LYS 28 1HZ LYS 28 -4.962 9.821 -12.299 207 HZ3 LYS 28 2HZ LYS 28 -6.123 10.766 -11.513 208 H ASN 29 H ASN 29 -3.968 4.768 -9.737 209 HA ASN 29 HA ASN 29 -3.969 2.532 -10.154 210 HB2 ASN 29 1HB ASN 29 -3.176 3.577 -12.868 211 HB3 ASN 29 2HB ASN 29 -3.372 1.855 -12.556 212 HD21 ASN 29 1HD2 ASN 29 -4.900 4.663 -13.487 213 HD22 ASN 29 2HD2 ASN 29 -6.538 4.144 -13.316 214 H ASP 30 H ASP 30 -1.827 3.379 -8.739 215 HA ASP 30 HA ASP 30 0.370 1.734 -9.810 216 HB2 ASP 30 1HB ASP 30 0.509 4.335 -8.286 217 HB3 ASP 30 2HB ASP 30 1.889 3.251 -8.442 218 H ILE 31 H ILE 31 1.432 0.379 -8.386 219 HA ILE 31 HA ILE 31 -0.015 -0.158 -5.901 220 HB ILE 31 HB ILE 31 2.098 -1.821 -7.279 221 HG12 ILE 31 1HG1 ILE 31 -0.078 -1.514 -8.529 222 HG13 ILE 31 2HG1 ILE 31 0.327 -3.179 -8.130 223 HG21 ILE 31 1HG2 ILE 31 0.532 -2.141 -4.775 224 HG22 ILE 31 2HG2 ILE 31 0.857 -3.577 -5.745 225 HG23 ILE 31 3HG2 ILE 31 2.195 -2.604 -5.137 226 HD11 ILE 31 3HD1 ILE 31 -1.271 -1.924 -6.068 227 HD12 ILE 31 1HD1 ILE 31 -2.067 -1.909 -7.641 228 HD13 ILE 31 2HD1 ILE 31 -1.527 -3.434 -6.941 229 H ILE 32 H ILE 32 0.804 0.262 -3.951 230 HA ILE 32 HA ILE 32 3.682 0.853 -3.740 231 HB ILE 32 HB ILE 32 1.449 2.297 -2.306 232 HG12 ILE 32 1HG1 ILE 32 3.417 3.607 -4.138 233 HG13 ILE 32 2HG1 ILE 32 2.050 2.747 -4.834 234 HG21 ILE 32 1HG2 ILE 32 3.520 1.963 -0.969 235 HG22 ILE 32 2HG2 ILE 32 4.411 2.837 -2.214 236 HG23 ILE 32 3HG2 ILE 32 3.147 3.655 -1.296 237 HD11 ILE 32 3HD1 ILE 32 1.515 4.715 -2.680 238 HD12 ILE 32 1HD1 ILE 32 1.939 5.315 -4.283 239 HD13 ILE 32 2HD1 ILE 32 0.535 4.267 -4.076 240 H THR 33 H THR 33 4.747 -0.148 -2.140 241 HA THR 33 HA THR 33 3.353 -2.109 -0.560 242 HB THR 33 HB THR 33 6.273 -1.333 -0.620 243 HG1 THR 33 1HG THR 33 4.681 -3.170 -1.998 244 HG21 THR 33 3HG2 THR 33 5.807 -3.961 0.394 245 HG22 THR 33 1HG2 THR 33 4.862 -2.810 1.339 246 HG23 THR 33 2HG2 THR 33 6.607 -2.600 1.179 247 H ILE 34 H ILE 34 2.950 -2.090 1.601 248 HA ILE 34 HA ILE 34 3.311 0.477 2.963 249 HB ILE 34 HB ILE 34 1.591 -1.886 3.726 250 HG12 ILE 34 1HG1 ILE 34 0.858 0.796 2.530 251 HG13 ILE 34 2HG1 ILE 34 0.815 -0.751 1.690 252 HG21 ILE 34 1HG2 ILE 34 2.456 0.421 5.207 253 HG22 ILE 34 2HG2 ILE 34 0.705 0.438 5.003 254 HG23 ILE 34 3HG2 ILE 34 1.493 -0.957 5.741 255 HD11 ILE 34 3HD1 ILE 34 -1.211 0.488 3.224 256 HD12 ILE 34 1HD1 ILE 34 -1.262 -1.054 2.370 257 HD13 ILE 34 2HD1 ILE 34 -0.731 -0.993 4.051 258 H ILE 35 H ILE 35 5.073 0.658 4.173 259 HA ILE 35 HA ILE 35 6.364 -1.683 5.293 260 HB ILE 35 HB ILE 35 7.149 1.220 5.572 261 HG12 ILE 35 1HG1 ILE 35 7.070 0.448 3.209 262 HG13 ILE 35 2HG1 ILE 35 8.698 0.843 3.748 263 HG21 ILE 35 1HG2 ILE 35 8.256 -1.306 6.559 264 HG22 ILE 35 2HG2 ILE 35 9.427 -0.258 5.759 265 HG23 ILE 35 3HG2 ILE 35 8.500 0.344 7.133 266 HD11 ILE 35 3HD1 ILE 35 9.418 -1.189 3.261 267 HD12 ILE 35 1HD1 ILE 35 8.128 -1.936 4.204 268 HD13 ILE 35 2HD1 ILE 35 7.850 -1.499 2.518 269 H SER 36 H SER 36 5.432 1.471 6.683 270 HA SER 36 HA SER 36 4.545 0.050 9.101 271 HB2 SER 36 1HB SER 36 6.869 1.322 9.158 272 HB3 SER 36 2HB SER 36 5.832 2.731 9.383 273 HG SER 36 HG SER 36 6.557 1.559 11.337 274 H GLN 37 H GLN 37 3.139 1.426 10.501 275 HA GLN 37 HA GLN 37 1.637 3.428 8.962 276 HB2 GLN 37 1HB GLN 37 0.405 1.204 10.596 277 HB3 GLN 37 2HB GLN 37 -0.477 2.494 9.790 278 HG2 GLN 37 1HG GLN 37 0.114 1.671 7.645 279 HG3 GLN 37 2HG GLN 37 1.265 0.528 8.335 280 HE21 GLN 37 1HE2 GLN 37 -1.754 0.849 7.067 281 HE22 GLN 37 2HE2 GLN 37 -2.491 -0.569 7.719 282 H LYS 38 H LYS 38 2.163 5.220 10.077 283 HA LYS 38 HA LYS 38 2.485 5.255 12.919 284 HB2 LYS 38 1HB LYS 38 2.600 7.253 10.718 285 HB3 LYS 38 2HB LYS 38 2.311 7.861 12.344 286 HG2 LYS 38 1HG LYS 38 4.653 7.948 11.923 287 HG3 LYS 38 2HG LYS 38 4.358 6.653 13.086 288 HD2 LYS 38 1HD LYS 38 4.397 5.956 10.196 289 HD3 LYS 38 2HD LYS 38 5.936 6.314 10.983 290 HE2 LYS 38 1HE LYS 38 3.923 4.238 11.839 291 HE3 LYS 38 2HE LYS 38 5.473 3.930 11.059 292 HZ1 LYS 38 3HZ LYS 38 6.090 5.455 13.242 293 HZ2 LYS 38 1HZ LYS 38 6.299 3.783 13.100 294 HZ3 LYS 38 2HZ LYS 38 4.897 4.403 13.814 295 H ASP 39 H ASP 39 0.120 6.846 10.768 296 HA ASP 39 HA ASP 39 -1.793 6.794 13.010 297 HB2 ASP 39 1HB ASP 39 -0.905 9.063 12.078 298 HB3 ASP 39 2HB ASP 39 -2.009 8.746 10.741 299 H GLU 40 H GLU 40 -4.121 6.863 12.242 300 HA GLU 40 HA GLU 40 -4.654 4.591 10.681 301 HB2 GLU 40 1HB GLU 40 -6.121 5.791 12.457 302 HB3 GLU 40 2HB GLU 40 -6.676 6.769 11.106 303 HG2 GLU 40 1HG GLU 40 -7.638 4.927 10.021 304 HG3 GLU 40 2HG GLU 40 -6.774 3.774 11.038 305 H HIS 41 H HIS 41 -4.410 7.978 9.868 306 HA HIS 41 HA HIS 41 -5.310 7.442 7.131 307 HB2 HIS 41 1HB HIS 41 -4.629 10.099 8.404 308 HB3 HIS 41 2HB HIS 41 -5.423 9.847 6.852 309 HD1 HIS 41 1HD HIS 41 -7.904 8.951 6.940 310 HD2 HIS 41 2HD HIS 41 -6.291 10.064 10.604 311 HE1 HIS 41 1HE HIS 41 -9.863 9.150 8.505 312 HE2 HIS 41 2HE HIS 41 -8.871 9.909 10.692 313 H CYS 42 H CYS 42 -2.577 8.904 8.875 314 HA CYS 42 HA CYS 42 -0.975 9.065 6.486 315 HB2 CYS 42 1HB CYS 42 -0.255 9.498 9.393 316 HB3 CYS 42 2HB CYS 42 0.807 9.837 8.032 317 HG CYS 42 HG CYS 42 -0.110 12.283 8.880 318 H TRP 43 H TRP 43 -0.155 7.284 5.611 319 HA TRP 43 HA TRP 43 0.914 5.207 7.409 320 HB2 TRP 43 1HB TRP 43 -0.291 4.903 4.651 321 HB3 TRP 43 2HB TRP 43 0.488 3.603 5.549 322 HD1 TRP 43 HD TRP 43 -1.057 4.962 8.318 323 HE1 TRP 43 1HE TRP 43 -3.457 4.124 8.719 324 HE3 TRP 43 3HE TRP 43 -2.058 3.110 3.660 325 HZ2 TRP 43 2HZ TRP 43 -5.504 2.846 7.254 326 HZ3 TRP 43 3HZ TRP 43 -4.260 2.095 3.242 327 HH2 TRP 43 HH TRP 43 -5.945 1.967 5.004 328 H VAL 44 H VAL 44 2.714 3.923 6.457 329 HA VAL 44 HA VAL 44 4.433 5.622 4.766 330 HB VAL 44 HB VAL 44 5.271 3.796 7.023 331 HG11 VAL 44 1HG1 VAL 44 6.760 5.016 4.792 332 HG12 VAL 44 2HG1 VAL 44 7.495 5.180 6.389 333 HG13 VAL 44 3HG1 VAL 44 7.121 3.580 5.748 334 HG21 VAL 44 3HG2 VAL 44 6.241 6.413 7.365 335 HG22 VAL 44 1HG2 VAL 44 4.538 6.563 6.932 336 HG23 VAL 44 2HG2 VAL 44 5.012 5.582 8.319 337 H GLY 45 H GLY 45 4.896 4.754 2.860 338 HA2 GLY 45 1HA GLY 45 4.975 1.806 2.655 339 HA3 GLY 45 2HA GLY 45 4.266 2.819 1.406 340 H GLU 46 H GLU 46 5.897 1.421 0.187 341 HA GLU 46 HA GLU 46 8.376 2.974 -0.052 342 HB2 GLU 46 1HB GLU 46 8.564 0.681 1.200 343 HB3 GLU 46 2HB GLU 46 8.451 0.002 -0.417 344 HG2 GLU 46 1HG GLU 46 10.477 0.874 -1.074 345 HG3 GLU 46 2HG GLU 46 10.437 2.155 0.135 346 H LEU 47 H LEU 47 8.644 3.682 -2.056 347 HA LEU 47 HA LEU 47 7.961 2.020 -4.328 348 HB2 LEU 47 1HB LEU 47 5.880 3.287 -3.682 349 HB3 LEU 47 2HB LEU 47 6.748 4.765 -4.097 350 HG LEU 47 HG LEU 47 7.058 3.554 -6.410 351 HD11 LEU 47 1HD1 LEU 47 4.500 2.455 -6.454 352 HD12 LEU 47 2HD1 LEU 47 5.255 1.802 -5.001 353 HD13 LEU 47 3HD1 LEU 47 6.034 1.593 -6.570 354 HD21 LEU 47 3HD2 LEU 47 4.283 4.451 -6.162 355 HD22 LEU 47 1HD2 LEU 47 5.596 5.077 -7.159 356 HD23 LEU 47 2HD2 LEU 47 5.468 5.560 -5.468 357 H ASN 48 H ASN 48 8.899 2.739 -6.294 358 HA ASN 48 HA ASN 48 10.694 3.501 -7.480 359 HB2 ASN 48 1HB ASN 48 9.664 6.003 -6.149 360 HB3 ASN 48 2HB ASN 48 10.983 6.042 -7.314 361 HD21 ASN 48 1HD2 ASN 48 7.621 5.879 -6.855 362 HD22 ASN 48 2HD2 ASN 48 7.163 5.748 -8.516 363 H GLY 49 H GLY 49 11.274 2.420 -4.834 364 HA2 GLY 49 1HA GLY 49 13.161 2.106 -3.556 365 HA3 GLY 49 2HA GLY 49 14.010 3.169 -4.667 366 H LEU 50 H LEU 50 11.145 4.188 -2.951 367 HA LEU 50 HA LEU 50 12.823 5.838 -1.182 368 HB2 LEU 50 1HB LEU 50 10.223 6.734 -2.403 369 HB3 LEU 50 2HB LEU 50 11.360 7.701 -1.465 370 HG LEU 50 HG LEU 50 11.925 6.564 -4.202 371 HD11 LEU 50 1HD1 LEU 50 11.776 9.017 -4.846 372 HD12 LEU 50 2HD1 LEU 50 10.934 9.257 -3.315 373 HD13 LEU 50 3HD1 LEU 50 10.254 8.179 -4.535 374 HD21 LEU 50 3HD2 LEU 50 13.427 8.772 -2.862 375 HD22 LEU 50 1HD2 LEU 50 13.944 7.687 -4.151 376 HD23 LEU 50 2HD2 LEU 50 13.810 7.089 -2.498 377 H ARG 51 H ARG 51 11.755 6.551 0.793 378 HA ARG 51 HA ARG 51 9.437 4.940 1.583 379 HB2 ARG 51 1HB ARG 51 12.163 4.869 2.770 380 HB3 ARG 51 2HB ARG 51 10.799 4.809 3.877 381 HG2 ARG 51 1HG ARG 51 9.918 2.889 2.500 382 HG3 ARG 51 2HG ARG 51 11.482 2.877 1.682 383 HD2 ARG 51 1HD ARG 51 11.452 2.847 4.654 384 HD3 ARG 51 2HD ARG 51 10.998 1.369 3.806 385 HE ARG 51 HE ARG 51 13.326 2.135 2.618 386 HH11 ARG 51 1HH1 ARG 51 12.345 1.497 5.896 387 HH12 ARG 51 2HH1 ARG 51 13.911 0.952 6.397 388 HH21 ARG 51 1HH2 ARG 51 15.394 1.421 3.265 389 HH22 ARG 51 2HH2 ARG 51 15.645 0.911 4.900 390 H GLY 52 H GLY 52 7.925 6.263 2.330 391 HA2 GLY 52 1HA GLY 52 8.551 8.288 4.283 392 HA3 GLY 52 2HA GLY 52 8.063 8.946 2.729 393 H TRP 53 H TRP 53 6.332 9.875 4.114 394 HA TRP 53 HA TRP 53 4.206 7.944 4.724 395 HB2 TRP 53 1HB TRP 53 3.268 9.564 6.185 396 HB3 TRP 53 2HB TRP 53 5.005 9.605 6.475 397 HD1 TRP 53 HD TRP 53 6.302 11.660 4.951 398 HE1 TRP 53 1HE TRP 53 5.518 14.097 4.689 399 HE3 TRP 53 3HE TRP 53 1.376 11.064 6.181 400 HZ2 TRP 53 2HZ TRP 53 3.126 15.571 4.968 401 HZ3 TRP 53 3HZ TRP 53 -0.092 13.036 6.159 402 HH2 TRP 53 HH TRP 53 0.766 15.244 5.566 403 H PHE 54 H PHE 54 1.956 8.662 4.246 404 HA PHE 54 HA PHE 54 1.480 10.630 2.247 405 HB2 PHE 54 1HB PHE 54 0.847 9.144 0.408 406 HB3 PHE 54 2HB PHE 54 2.543 8.926 0.827 407 HD1 PHE 54 1HD PHE 54 -0.825 7.453 1.120 408 HD2 PHE 54 2HD PHE 54 3.363 6.842 1.576 409 HE1 PHE 54 1HE PHE 54 -1.209 5.037 1.390 410 HE2 PHE 54 2HE PHE 54 2.985 4.426 1.845 411 HZ PHE 54 HZ PHE 54 0.697 3.520 1.752 412 HA PRO 55 HA PRO 55 -2.573 10.237 3.893 413 HB2 PRO 55 1HB PRO 55 -4.035 11.277 1.855 414 HB3 PRO 55 2HB PRO 55 -3.022 12.267 2.915 415 HG2 PRO 55 1HG PRO 55 -2.436 11.223 0.171 416 HG3 PRO 55 2HG PRO 55 -2.116 12.831 0.848 417 HD2 PRO 55 1HD PRO 55 -0.197 10.935 0.628 418 HD3 PRO 55 2HD PRO 55 -0.211 12.129 1.940 419 H ALA 56 H ALA 56 -3.258 8.172 4.105 420 HA ALA 56 HA ALA 56 -3.494 6.252 2.110 421 HB1 ALA 56 3HB ALA 56 -5.259 6.363 4.543 422 HB2 ALA 56 1HB ALA 56 -4.696 4.939 3.665 423 HB3 ALA 56 2HB ALA 56 -3.557 5.900 4.611 424 H LYS 57 H LYS 57 -5.650 8.830 3.008 425 HA LYS 57 HA LYS 57 -8.049 7.919 1.923 426 HB2 LYS 57 1HB LYS 57 -8.668 10.298 1.737 427 HB3 LYS 57 2HB LYS 57 -7.928 9.929 3.289 428 HG2 LYS 57 1HG LYS 57 -5.857 10.924 2.603 429 HG3 LYS 57 2HG LYS 57 -6.462 11.149 0.960 430 HD2 LYS 57 1HD LYS 57 -8.321 12.547 2.069 431 HD3 LYS 57 2HD LYS 57 -7.255 12.579 3.476 432 HE2 LYS 57 1HE LYS 57 -5.453 13.458 1.967 433 HE3 LYS 57 2HE LYS 57 -6.674 13.611 0.706 434 HZ1 LYS 57 3HZ LYS 57 -6.162 15.305 2.954 435 HZ2 LYS 57 1HZ LYS 57 -7.790 14.855 2.855 436 HZ3 LYS 57 2HZ LYS 57 -7.043 15.622 1.545 437 H PHE 58 H PHE 58 -5.159 8.997 0.372 438 HA PHE 58 HA PHE 58 -6.379 9.585 -2.162 439 HB2 PHE 58 1HB PHE 58 -3.608 9.484 -1.084 440 HB3 PHE 58 2HB PHE 58 -3.803 9.296 -2.824 441 HD1 PHE 58 2HD PHE 58 -4.744 11.523 0.000 442 HD2 PHE 58 1HD PHE 58 -4.002 11.164 -4.174 443 HE1 PHE 58 2HE PHE 58 -4.920 13.965 -0.236 444 HE2 PHE 58 1HE PHE 58 -4.177 13.607 -4.419 445 HZ PHE 58 HZ PHE 58 -4.637 15.010 -2.448 446 H VAL 59 H VAL 59 -4.893 6.810 -0.638 447 HA VAL 59 HA VAL 59 -5.277 5.257 -3.111 448 HB VAL 59 HB VAL 59 -3.638 3.722 -2.382 449 HG11 VAL 59 1HG1 VAL 59 -2.551 5.603 -3.274 450 HG12 VAL 59 2HG1 VAL 59 -2.837 6.563 -1.821 451 HG13 VAL 59 3HG1 VAL 59 -1.677 5.234 -1.789 452 HG21 VAL 59 3HG2 VAL 59 -2.576 3.887 -0.133 453 HG22 VAL 59 1HG2 VAL 59 -3.798 5.081 0.302 454 HG23 VAL 59 2HG2 VAL 59 -4.279 3.430 -0.091 455 H GLU 60 H GLU 60 -5.766 2.867 -2.629 456 HA GLU 60 HA GLU 60 -7.751 2.685 -0.461 457 HB2 GLU 60 1HB GLU 60 -8.928 2.909 -2.573 458 HB3 GLU 60 2HB GLU 60 -7.979 1.606 -3.275 459 HG2 GLU 60 1HG GLU 60 -9.044 -0.024 -1.977 460 HG3 GLU 60 2HG GLU 60 -9.712 1.174 -0.870 461 H VAL 61 H VAL 61 -7.657 0.914 0.798 462 HA VAL 61 HA VAL 61 -5.389 -0.784 0.663 463 HB VAL 61 HB VAL 61 -7.897 -1.158 2.304 464 HG11 VAL 61 1HG1 VAL 61 -6.774 -3.181 2.443 465 HG12 VAL 61 2HG1 VAL 61 -5.185 -2.421 2.351 466 HG13 VAL 61 3HG1 VAL 61 -6.140 -2.295 3.829 467 HG21 VAL 61 3HG2 VAL 61 -6.274 -0.157 4.091 468 HG22 VAL 61 1HG2 VAL 61 -5.469 0.536 2.684 469 HG23 VAL 61 2HG2 VAL 61 -7.162 0.912 3.005 470 H LEU 62 H LEU 62 -5.295 -3.039 0.321 471 HA LEU 62 HA LEU 62 -7.560 -4.175 -1.177 472 HB2 LEU 62 1HB LEU 62 -4.792 -4.975 -1.897 473 HB3 LEU 62 2HB LEU 62 -6.242 -4.908 -2.895 474 HG LEU 62 HG LEU 62 -4.984 -2.364 -1.964 475 HD11 LEU 62 1HD1 LEU 62 -3.144 -2.571 -3.189 476 HD12 LEU 62 2HD1 LEU 62 -4.063 -3.145 -4.581 477 HD13 LEU 62 3HD1 LEU 62 -3.522 -4.288 -3.352 478 HD21 LEU 62 3HD2 LEU 62 -5.777 -1.902 -4.445 479 HD22 LEU 62 1HD2 LEU 62 -6.901 -1.846 -3.086 480 HD23 LEU 62 2HD2 LEU 62 -6.825 -3.281 -4.109 481 H ASP 63 H ASP 63 -8.291 -5.976 -0.282 482 HA ASP 63 HA ASP 63 -6.648 -7.380 1.674 483 HB2 ASP 63 1HB ASP 63 -9.571 -7.600 0.938 484 HB3 ASP 63 2HB ASP 63 -8.786 -8.636 2.127 485 H GLU 64 H GLU 64 -5.918 -7.607 -1.087 486 HA GLU 64 HA GLU 64 -5.631 -9.136 -2.793 487 HB2 GLU 64 1HB GLU 64 -4.915 -10.491 -0.219 488 HB3 GLU 64 2HB GLU 64 -4.785 -11.373 -1.733 489 HG2 GLU 64 1HG GLU 64 -3.528 -8.691 -1.568 490 HG3 GLU 64 2HG GLU 64 -2.757 -10.030 -0.718 491 H ARG 65 H ARG 65 -8.355 -8.914 -2.231 492 HA ARG 65 HA ARG 65 -9.328 -11.685 -2.298 493 HB2 ARG 65 1HB ARG 65 -10.454 -10.422 -0.623 494 HB3 ARG 65 2HB ARG 65 -10.704 -9.067 -1.715 495 HG2 ARG 65 1HG ARG 65 -12.462 -10.071 -2.785 496 HG3 ARG 65 2HG ARG 65 -11.901 -11.701 -2.404 497 HD2 ARG 65 1HD ARG 65 -12.794 -9.858 -0.223 498 HD3 ARG 65 2HD ARG 65 -13.980 -10.747 -1.179 499 HE ARG 65 HE ARG 65 -12.234 -11.808 0.834 500 HH11 ARG 65 1HH1 ARG 65 -14.055 -12.548 -2.038 501 HH12 ARG 65 2HH1 ARG 65 -14.207 -14.233 -1.666 502 HH21 ARG 65 1HH2 ARG 65 -12.425 -14.025 1.337 503 HH22 ARG 65 2HH2 ARG 65 -13.280 -15.072 0.254 504 H SER 66 H SER 66 -9.405 -12.456 -4.307 505 HA SER 66 HA SER 66 -11.033 -11.136 -6.280 506 HB2 SER 66 1HB SER 66 -8.551 -10.243 -6.405 507 HB3 SER 66 2HB SER 66 -8.271 -11.770 -7.240 508 HG SER 66 HG SER 66 -9.017 -10.767 -8.922 509 H LYS 67 H LYS 67 -11.144 -12.471 -8.323 510 HA LYS 67 HA LYS 67 -10.554 -15.304 -7.844 511 HB2 LYS 67 1HB LYS 67 -12.889 -14.892 -7.151 512 HB3 LYS 67 2HB LYS 67 -13.241 -14.248 -8.749 513 HG2 LYS 67 1HG LYS 67 -12.634 -16.462 -9.706 514 HG3 LYS 67 2HG LYS 67 -12.479 -17.076 -8.058 515 HD2 LYS 67 1HD LYS 67 -14.898 -16.076 -7.807 516 HD3 LYS 67 2HD LYS 67 -14.919 -16.251 -9.564 517 HE2 LYS 67 1HE LYS 67 -15.785 -18.275 -8.844 518 HE3 LYS 67 2HE LYS 67 -14.080 -18.655 -9.087 519 HZ1 LYS 67 3HZ LYS 67 -15.297 -19.354 -6.908 520 HZ2 LYS 67 1HZ LYS 67 -14.967 -17.763 -6.436 521 HZ3 LYS 67 2HZ LYS 67 -13.699 -18.801 -6.852 522 H GLU 68 H GLU 68 -10.638 -16.621 -9.794 523 HA GLU 68 HA GLU 68 -10.160 -15.030 -12.228 524 HB2 GLU 68 1HB GLU 68 -8.135 -16.151 -11.230 525 HB3 GLU 68 2HB GLU 68 -8.902 -17.695 -11.574 526 HG2 GLU 68 1HG GLU 68 -8.958 -17.096 -13.967 527 HG3 GLU 68 2HG GLU 68 -8.096 -15.607 -13.585 528 H TYR 69 H TYR 69 -11.360 -15.489 -13.961 529 HA TYR 69 HA TYR 69 -13.256 -17.701 -13.774 530 HB2 TYR 69 1HB TYR 69 -13.099 -15.236 -15.493 531 HB3 TYR 69 2HB TYR 69 -14.201 -16.553 -15.880 532 HD1 TYR 69 2HD TYR 69 -13.224 -14.697 -12.777 533 HD2 TYR 69 1HD TYR 69 -16.371 -16.151 -15.242 534 HE1 TYR 69 2HE TYR 69 -14.873 -13.770 -11.207 535 HE2 TYR 69 1HE TYR 69 -18.030 -15.227 -13.679 536 HH TYR 69 HH TYR 69 -17.037 -13.336 -10.853 537 H SER 70 H SER 70 -13.327 -19.398 -15.167 538 HA SER 70 HA SER 70 -10.988 -20.228 -16.451 539 HB2 SER 70 1HB SER 70 -12.313 -22.055 -17.353 540 HB3 SER 70 2HB SER 70 -12.802 -21.750 -15.688 541 HG SER 70 HG SER 70 -14.164 -20.446 -17.760 542 H ILE 71 H ILE 71 -10.320 -20.251 -18.570 543 HA ILE 71 HA ILE 71 -10.939 -18.076 -20.191 544 HB ILE 71 HB ILE 71 -9.744 -20.717 -21.040 545 HG12 ILE 71 1HG1 ILE 71 -8.229 -18.188 -20.446 546 HG13 ILE 71 2HG1 ILE 71 -8.648 -19.308 -19.154 547 HG21 ILE 71 1HG2 ILE 71 -10.460 -18.364 -22.530 548 HG22 ILE 71 2HG2 ILE 71 -8.717 -18.625 -22.586 549 HG23 ILE 71 3HG2 ILE 71 -9.818 -19.902 -23.105 550 HD11 ILE 71 3HD1 ILE 71 -7.111 -20.098 -21.614 551 HD12 ILE 71 1HD1 ILE 71 -6.362 -19.594 -20.099 552 HD13 ILE 71 2HD1 ILE 71 -7.363 -21.044 -20.148 553 H ALA 72 H ALA 72 -12.241 -17.766 -21.955 554 HA ALA 72 HA ALA 72 -14.467 -19.624 -22.226 555 HB1 ALA 72 3HB ALA 72 -14.883 -17.201 -21.952 556 HB2 ALA 72 1HB ALA 72 -14.094 -16.919 -23.504 557 HB3 ALA 72 2HB ALA 72 -15.583 -17.860 -23.430 558 H SER 73 H SER 73 -15.133 -20.520 -24.199 559 HA SER 73 HA SER 73 -13.177 -21.587 -25.831 560 HB2 SER 73 1HB SER 73 -15.290 -22.646 -25.860 561 HB3 SER 73 2HB SER 73 -16.126 -21.149 -26.274 562 HG SER 73 HG SER 73 -14.195 -22.061 -28.058 563 H GLY 74 H GLY 74 -11.973 -20.839 -27.450 564 HA2 GLY 74 1HA GLY 74 -12.476 -19.413 -29.620 565 HA3 GLY 74 2HA GLY 74 -12.477 -18.130 -28.419 566 HA PRO 75 HA PRO 75 -8.157 -18.574 -30.017 567 HB2 PRO 75 1HB PRO 75 -7.738 -15.905 -30.288 568 HB3 PRO 75 2HB PRO 75 -8.486 -16.893 -31.549 569 HG2 PRO 75 1HG PRO 75 -9.781 -15.117 -29.515 570 HG3 PRO 75 2HG PRO 75 -10.151 -15.299 -31.240 571 HD2 PRO 75 1HD PRO 75 -11.615 -16.495 -29.302 572 HD3 PRO 75 2HD PRO 75 -11.376 -17.223 -30.904 573 H SER 76 H SER 76 -6.744 -18.958 -28.442 574 HA SER 76 HA SER 76 -6.835 -18.338 -25.823 575 HB2 SER 76 1HB SER 76 -4.331 -18.494 -25.790 576 HB3 SER 76 2HB SER 76 -5.116 -19.804 -26.674 577 HG SER 76 HG SER 76 -3.379 -18.982 -27.866 578 H SER 77 H SER 77 -6.911 -16.539 -24.665 579 HA SER 77 HA SER 77 -5.252 -14.266 -25.296 580 HB2 SER 77 1HB SER 77 -7.045 -12.655 -25.550 581 HB3 SER 77 2HB SER 77 -7.250 -13.927 -26.752 582 HG SER 77 HG SER 77 -9.216 -13.423 -25.698 583 H GLY 78 H GLY 78 -4.725 -13.148 -23.498 584 HA2 GLY 78 1HA GLY 78 -5.413 -12.184 -21.359 585 HA3 GLY 78 2HA GLY 78 -6.324 -13.658 -21.068 Start of MODEL 9 1 H1 GLY 1 H GLY 1 7.974 -24.197 9.835 2 HA2 GLY 1 1HA GLY 1 7.772 -22.010 11.253 3 HA3 GLY 1 2HA GLY 1 9.375 -22.665 10.953 4 H SER 2 H SER 2 8.778 -19.932 11.459 5 HA SER 2 HA SER 2 9.333 -17.858 10.709 6 HB2 SER 2 1HB SER 2 10.751 -19.514 8.616 7 HB3 SER 2 2HB SER 2 10.883 -17.759 8.705 8 HG SER 2 HG SER 2 11.346 -19.195 11.046 9 H SER 3 H SER 3 6.796 -18.775 10.058 10 HA SER 3 HA SER 3 6.363 -17.511 7.431 11 HB2 SER 3 1HB SER 3 4.867 -19.831 8.668 12 HB3 SER 3 2HB SER 3 4.336 -18.973 7.221 13 HG SER 3 HG SER 3 5.828 -19.954 6.089 14 H GLY 4 H GLY 4 5.617 -15.529 7.852 15 HA2 GLY 4 1HA GLY 4 3.132 -14.865 8.635 16 HA3 GLY 4 2HA GLY 4 3.960 -15.017 10.176 17 H SER 5 H SER 5 3.384 -13.040 7.452 18 HA SER 5 HA SER 5 5.082 -10.952 8.632 19 HB2 SER 5 1HB SER 5 4.953 -11.775 5.732 20 HB3 SER 5 2HB SER 5 5.533 -10.186 6.231 21 HG SER 5 HG SER 5 7.306 -11.492 6.115 22 H SER 6 H SER 6 4.326 -8.835 8.405 23 HA SER 6 HA SER 6 1.466 -8.660 7.809 24 HB2 SER 6 1HB SER 6 3.308 -6.779 9.301 25 HB3 SER 6 2HB SER 6 1.591 -6.487 9.028 26 HG SER 6 HG SER 6 2.717 -8.681 10.436 27 H GLY 7 H GLY 7 3.058 -8.854 5.563 28 HA2 GLY 7 1HA GLY 7 3.690 -6.243 4.531 29 HA3 GLY 7 2HA GLY 7 3.730 -7.757 3.639 30 H ARG 8 H ARG 8 2.318 -4.842 3.676 31 HA ARG 8 HA ARG 8 -0.137 -5.870 2.417 32 HB2 ARG 8 1HB ARG 8 0.216 -3.716 4.448 33 HB3 ARG 8 2HB ARG 8 -1.014 -3.490 3.210 34 HG2 ARG 8 1HG ARG 8 -2.057 -5.603 3.864 35 HG3 ARG 8 2HG ARG 8 -0.826 -5.818 5.112 36 HD2 ARG 8 1HD ARG 8 -1.567 -3.735 6.178 37 HD3 ARG 8 2HD ARG 8 -2.810 -3.551 4.942 38 HE ARG 8 HE ARG 8 -2.904 -5.256 7.237 39 HH11 ARG 8 1HH1 ARG 8 -4.017 -4.860 3.963 40 HH12 ARG 8 2HH1 ARG 8 -5.441 -5.822 4.193 41 HH21 ARG 8 1HH2 ARG 8 -4.774 -6.523 7.553 42 HH22 ARG 8 2HH2 ARG 8 -5.870 -6.766 6.235 43 H ARG 9 H ARG 9 -1.139 -4.238 0.916 44 HA ARG 9 HA ARG 9 0.759 -2.373 -0.277 45 HB2 ARG 9 1HB ARG 9 -0.571 -4.559 -1.888 46 HB3 ARG 9 2HB ARG 9 0.462 -3.285 -2.521 47 HG2 ARG 9 1HG ARG 9 2.176 -4.305 -0.789 48 HG3 ARG 9 2HG ARG 9 1.176 -5.740 -1.021 49 HD2 ARG 9 1HD ARG 9 1.485 -5.081 -3.571 50 HD3 ARG 9 2HD ARG 9 2.941 -4.315 -2.939 51 HE ARG 9 HE ARG 9 2.703 -6.981 -2.000 52 HH11 ARG 9 1HH1 ARG 9 3.549 -5.104 -4.807 53 HH12 ARG 9 2HH1 ARG 9 4.608 -6.312 -5.456 54 HH21 ARG 9 1HH2 ARG 9 4.097 -8.578 -2.844 55 HH22 ARG 9 2HH2 ARG 9 4.919 -8.287 -4.339 56 H ALA 10 H ALA 10 -0.207 -0.576 -1.013 57 HA ALA 10 HA ALA 10 -3.151 -0.588 -1.178 58 HB1 ALA 10 3HB ALA 10 -2.636 0.815 0.606 59 HB2 ALA 10 1HB ALA 10 -1.226 1.495 -0.209 60 HB3 ALA 10 2HB ALA 10 -2.850 1.931 -0.745 61 H LYS 11 H LYS 11 -4.152 0.330 -2.923 62 HA LYS 11 HA LYS 11 -2.426 0.908 -5.219 63 HB2 LYS 11 1HB LYS 11 -4.117 -0.824 -5.543 64 HB3 LYS 11 2HB LYS 11 -5.385 0.302 -5.074 65 HG2 LYS 11 1HG LYS 11 -3.630 1.051 -7.347 66 HG3 LYS 11 2HG LYS 11 -4.834 -0.214 -7.604 67 HD2 LYS 11 1HD LYS 11 -5.535 2.441 -6.377 68 HD3 LYS 11 2HD LYS 11 -5.534 2.185 -8.123 69 HE2 LYS 11 1HE LYS 11 -7.076 0.434 -6.224 70 HE3 LYS 11 2HE LYS 11 -7.756 1.899 -6.928 71 HZ1 LYS 11 3HZ LYS 11 -8.168 0.827 -8.808 72 HZ2 LYS 11 1HZ LYS 11 -7.711 -0.616 -8.051 73 HZ3 LYS 11 2HZ LYS 11 -6.573 0.275 -8.930 74 H ALA 12 H ALA 12 -2.287 2.876 -6.113 75 HA ALA 12 HA ALA 12 -3.438 5.121 -4.771 76 HB1 ALA 12 3HB ALA 12 -1.411 4.662 -6.794 77 HB2 ALA 12 1HB ALA 12 -2.407 6.074 -7.153 78 HB3 ALA 12 2HB ALA 12 -1.556 5.963 -5.612 79 H LEU 13 H LEU 13 -5.228 6.246 -5.237 80 HA LEU 13 HA LEU 13 -6.946 5.277 -7.367 81 HB2 LEU 13 1HB LEU 13 -7.437 7.403 -5.287 82 HB3 LEU 13 2HB LEU 13 -8.644 6.719 -6.374 83 HG LEU 13 HG LEU 13 -7.173 5.152 -4.256 84 HD11 LEU 13 1HD1 LEU 13 -8.834 5.554 -2.768 85 HD12 LEU 13 2HD1 LEU 13 -10.057 5.774 -4.018 86 HD13 LEU 13 3HD1 LEU 13 -8.920 7.072 -3.661 87 HD21 LEU 13 3HD2 LEU 13 -9.085 3.559 -4.680 88 HD22 LEU 13 1HD2 LEU 13 -7.891 3.688 -5.971 89 HD23 LEU 13 2HD2 LEU 13 -9.445 4.510 -6.123 90 H LEU 14 H LEU 14 -4.971 8.043 -6.621 91 HA LEU 14 HA LEU 14 -5.415 9.063 -9.313 92 HB2 LEU 14 1HB LEU 14 -5.669 11.380 -8.459 93 HB3 LEU 14 2HB LEU 14 -7.026 10.320 -8.088 94 HG LEU 14 HG LEU 14 -4.902 10.701 -6.031 95 HD11 LEU 14 1HD1 LEU 14 -5.666 12.952 -7.047 96 HD12 LEU 14 2HD1 LEU 14 -5.684 12.750 -5.294 97 HD13 LEU 14 3HD1 LEU 14 -7.185 12.624 -6.211 98 HD21 LEU 14 3HD2 LEU 14 -7.808 10.009 -6.127 99 HD22 LEU 14 1HD2 LEU 14 -7.105 10.669 -4.649 100 HD23 LEU 14 2HD2 LEU 14 -6.478 9.167 -5.329 101 H ASP 15 H ASP 15 -3.960 11.270 -9.379 102 HA ASP 15 HA ASP 15 -1.277 10.297 -8.892 103 HB2 ASP 15 1HB ASP 15 -0.568 11.838 -10.448 104 HB3 ASP 15 2HB ASP 15 -2.235 11.619 -10.972 105 H PHE 16 H PHE 16 -0.224 10.680 -7.069 106 HA PHE 16 HA PHE 16 -0.929 13.077 -5.511 107 HB2 PHE 16 1HB PHE 16 -1.407 11.052 -4.280 108 HB3 PHE 16 2HB PHE 16 0.204 10.421 -4.610 109 HD1 PHE 16 1HD PHE 16 -1.355 13.468 -3.116 110 HD2 PHE 16 2HD PHE 16 1.729 10.542 -2.909 111 HE1 PHE 16 1HE PHE 16 -0.536 14.484 -1.031 112 HE2 PHE 16 2HE PHE 16 2.553 11.553 -0.823 113 HZ PHE 16 HZ PHE 16 1.420 13.526 0.120 114 H GLU 17 H GLU 17 0.487 14.632 -6.022 115 HA GLU 17 HA GLU 17 3.277 13.984 -6.520 116 HB2 GLU 17 1HB GLU 17 1.536 16.362 -6.935 117 HB3 GLU 17 2HB GLU 17 3.258 16.644 -6.723 118 HG2 GLU 17 1HG GLU 17 2.307 14.617 -8.697 119 HG3 GLU 17 2HG GLU 17 2.285 16.333 -9.101 120 H ARG 18 H ARG 18 4.495 13.671 -4.768 121 HA ARG 18 HA ARG 18 3.971 14.701 -2.209 122 HB2 ARG 18 1HB ARG 18 5.948 13.675 -1.532 123 HB3 ARG 18 2HB ARG 18 5.470 12.719 -2.928 124 HG2 ARG 18 1HG ARG 18 7.007 14.421 -4.211 125 HG3 ARG 18 2HG ARG 18 7.730 14.621 -2.613 126 HD2 ARG 18 1HD ARG 18 7.957 12.121 -2.517 127 HD3 ARG 18 2HD ARG 18 7.467 12.081 -4.211 128 HE ARG 18 HE ARG 18 10.027 12.856 -3.166 129 HH11 ARG 18 1HH1 ARG 18 7.802 13.203 -5.821 130 HH12 ARG 18 2HH1 ARG 18 9.033 13.617 -6.968 131 HH21 ARG 18 1HH2 ARG 18 11.656 13.399 -4.666 132 HH22 ARG 18 2HH2 ARG 18 11.224 13.728 -6.311 133 H HIS 19 H HIS 19 4.269 16.656 -1.378 134 HA HIS 19 HA HIS 19 5.680 18.669 -2.913 135 HB2 HIS 19 1HB HIS 19 4.645 20.266 -1.535 136 HB3 HIS 19 2HB HIS 19 3.436 18.997 -1.700 137 HD1 HIS 19 1HD HIS 19 2.983 17.514 0.400 138 HD2 HIS 19 2HD HIS 19 5.608 20.670 1.038 139 HE1 HIS 19 1HE HIS 19 3.179 17.732 2.898 140 HE2 HIS 19 2HE HIS 19 4.705 19.702 3.260 141 H ASP 20 H ASP 20 6.102 16.819 0.018 142 HA ASP 20 HA ASP 20 8.661 18.204 0.487 143 HB2 ASP 20 1HB ASP 20 6.729 18.152 2.279 144 HB3 ASP 20 2HB ASP 20 7.353 16.536 2.599 145 H ASP 21 H ASP 21 10.485 16.947 1.047 146 HA ASP 21 HA ASP 21 10.937 14.685 -0.463 147 HB2 ASP 21 1HB ASP 21 12.288 15.564 2.096 148 HB3 ASP 21 2HB ASP 21 12.898 14.285 1.050 149 H ASP 22 H ASP 22 9.838 14.909 2.886 150 HA ASP 22 HA ASP 22 9.968 12.170 3.505 151 HB2 ASP 22 1HB ASP 22 8.095 12.842 5.184 152 HB3 ASP 22 2HB ASP 22 9.702 13.543 5.366 153 H GLU 23 H GLU 23 7.317 14.150 2.219 154 HA GLU 23 HA GLU 23 5.332 12.198 2.180 155 HB2 GLU 23 1HB GLU 23 5.831 14.719 0.679 156 HB3 GLU 23 2HB GLU 23 4.609 13.624 0.047 157 HG2 GLU 23 1HG GLU 23 3.780 13.666 2.550 158 HG3 GLU 23 2HG GLU 23 4.623 15.213 2.551 159 H LEU 24 H LEU 24 4.759 10.595 0.792 160 HA LEU 24 HA LEU 24 6.742 9.879 -1.245 161 HB2 LEU 24 1HB LEU 24 6.256 8.219 0.492 162 HB3 LEU 24 2HB LEU 24 4.559 8.223 0.015 163 HG LEU 24 HG LEU 24 5.300 7.378 -2.237 164 HD11 LEU 24 1HD1 LEU 24 7.881 6.722 -0.845 165 HD12 LEU 24 2HD1 LEU 24 7.689 8.138 -1.878 166 HD13 LEU 24 3HD1 LEU 24 7.471 6.522 -2.550 167 HD21 LEU 24 3HD2 LEU 24 6.244 5.296 -0.422 168 HD22 LEU 24 1HD2 LEU 24 4.858 5.310 -1.511 169 HD23 LEU 24 2HD2 LEU 24 4.731 6.043 0.088 170 H GLY 25 H GLY 25 6.248 10.672 -3.193 171 HA2 GLY 25 1HA GLY 25 3.500 11.087 -3.997 172 HA3 GLY 25 2HA GLY 25 4.935 11.463 -4.941 173 H PHE 26 H PHE 26 2.604 10.259 -5.985 174 HA PHE 26 HA PHE 26 3.777 8.010 -7.295 175 HB2 PHE 26 1HB PHE 26 1.804 6.479 -6.608 176 HB3 PHE 26 2HB PHE 26 3.151 6.663 -5.490 177 HD1 PHE 26 1HD PHE 26 -0.352 7.509 -6.148 178 HD2 PHE 26 2HD PHE 26 2.885 7.810 -3.398 179 HE1 PHE 26 1HE PHE 26 -1.916 8.228 -4.390 180 HE2 PHE 26 2HE PHE 26 1.325 8.530 -1.637 181 HZ PHE 26 HZ PHE 26 -1.079 8.738 -2.130 182 H ARG 27 H ARG 27 2.371 7.129 -8.987 183 HA ARG 27 HA ARG 27 0.659 9.228 -10.063 184 HB2 ARG 27 1HB ARG 27 2.038 6.831 -11.207 185 HB3 ARG 27 2HB ARG 27 0.669 7.528 -12.063 186 HG2 ARG 27 1HG ARG 27 2.926 8.328 -12.798 187 HG3 ARG 27 2HG ARG 27 1.783 9.595 -12.351 188 HD2 ARG 27 1HD ARG 27 2.908 10.105 -10.401 189 HD3 ARG 27 2HD ARG 27 3.655 8.511 -10.294 190 HE ARG 27 HE ARG 27 4.701 9.662 -12.558 191 HH11 ARG 27 1HH1 ARG 27 4.580 10.441 -9.167 192 HH12 ARG 27 2HH1 ARG 27 6.089 11.293 -9.175 193 HH21 ARG 27 1HH2 ARG 27 6.689 10.781 -12.581 194 HH22 ARG 27 2HH2 ARG 27 7.287 11.487 -11.117 195 H LYS 28 H LYS 28 -1.263 8.306 -11.421 196 HA LYS 28 HA LYS 28 -3.102 7.186 -9.574 197 HB2 LYS 28 1HB LYS 28 -3.717 8.766 -11.397 198 HB3 LYS 28 2HB LYS 28 -3.403 7.491 -12.567 199 HG2 LYS 28 1HG LYS 28 -5.185 6.147 -11.619 200 HG3 LYS 28 2HG LYS 28 -5.476 7.374 -10.384 201 HD2 LYS 28 1HD LYS 28 -5.597 8.099 -13.284 202 HD3 LYS 28 2HD LYS 28 -6.974 7.311 -12.508 203 HE2 LYS 28 1HE LYS 28 -7.293 9.092 -11.019 204 HE3 LYS 28 2HE LYS 28 -5.687 9.750 -11.323 205 HZ1 LYS 28 3HZ LYS 28 -7.851 10.762 -12.418 206 HZ2 LYS 28 1HZ LYS 28 -7.516 9.591 -13.592 207 HZ3 LYS 28 2HZ LYS 28 -6.361 10.767 -13.215 208 H ASN 29 H ASN 29 -3.970 5.157 -9.421 209 HA ASN 29 HA ASN 29 -4.067 2.889 -9.549 210 HB2 ASN 29 1HB ASN 29 -3.341 3.504 -12.417 211 HB3 ASN 29 2HB ASN 29 -3.741 1.886 -11.848 212 HD21 ASN 29 1HD2 ASN 29 -4.963 4.426 -13.410 213 HD22 ASN 29 2HD2 ASN 29 -6.635 4.278 -13.001 214 H ASP 30 H ASP 30 -1.671 4.035 -8.578 215 HA ASP 30 HA ASP 30 0.395 2.200 -9.587 216 HB2 ASP 30 1HB ASP 30 0.568 4.793 -8.054 217 HB3 ASP 30 2HB ASP 30 1.945 3.707 -8.230 218 H ILE 31 H ILE 31 1.094 0.564 -8.366 219 HA ILE 31 HA ILE 31 -0.145 0.110 -5.794 220 HB ILE 31 HB ILE 31 1.875 -1.576 -7.279 221 HG12 ILE 31 1HG1 ILE 31 -0.058 -1.503 -8.637 222 HG13 ILE 31 2HG1 ILE 31 -0.214 -2.992 -7.712 223 HG21 ILE 31 1HG2 ILE 31 1.657 -3.191 -5.689 224 HG22 ILE 31 2HG2 ILE 31 1.403 -1.771 -4.676 225 HG23 ILE 31 3HG2 ILE 31 0.021 -2.700 -5.254 226 HD11 ILE 31 3HD1 ILE 31 -2.301 -2.224 -7.399 227 HD12 ILE 31 1HD1 ILE 31 -1.536 -1.320 -6.093 228 HD13 ILE 31 2HD1 ILE 31 -1.838 -0.540 -7.647 229 H ILE 32 H ILE 32 0.755 0.375 -3.844 230 HA ILE 32 HA ILE 32 3.652 0.870 -3.690 231 HB ILE 32 HB ILE 32 1.551 2.415 -2.168 232 HG12 ILE 32 1HG1 ILE 32 3.434 3.675 -4.112 233 HG13 ILE 32 2HG1 ILE 32 2.032 2.819 -4.745 234 HG21 ILE 32 1HG2 ILE 32 3.460 3.788 -1.428 235 HG22 ILE 32 2HG2 ILE 32 3.570 2.118 -0.875 236 HG23 ILE 32 3HG2 ILE 32 4.555 2.662 -2.233 237 HD11 ILE 32 3HD1 ILE 32 0.587 4.389 -4.034 238 HD12 ILE 32 1HD1 ILE 32 1.508 4.735 -2.571 239 HD13 ILE 32 2HD1 ILE 32 2.019 5.415 -4.117 240 H THR 33 H THR 33 4.676 -0.257 -2.162 241 HA THR 33 HA THR 33 3.230 -2.150 -0.574 242 HB THR 33 HB THR 33 6.169 -1.437 -0.608 243 HG1 THR 33 1HG THR 33 4.873 -2.622 -2.418 244 HG21 THR 33 3HG2 THR 33 6.488 -2.751 1.163 245 HG22 THR 33 1HG2 THR 33 5.592 -4.063 0.400 246 HG23 THR 33 2HG2 THR 33 4.740 -2.854 1.360 247 H ILE 34 H ILE 34 2.704 -2.085 1.539 248 HA ILE 34 HA ILE 34 3.163 0.433 2.951 249 HB ILE 34 HB ILE 34 1.334 -1.868 3.648 250 HG12 ILE 34 1HG1 ILE 34 0.719 0.856 2.484 251 HG13 ILE 34 2HG1 ILE 34 0.666 -0.666 1.603 252 HG21 ILE 34 1HG2 ILE 34 2.212 0.460 5.137 253 HG22 ILE 34 2HG2 ILE 34 0.459 0.401 4.959 254 HG23 ILE 34 3HG2 ILE 34 1.318 -0.958 5.682 255 HD11 ILE 34 3HD1 ILE 34 -1.318 0.560 3.307 256 HD12 ILE 34 1HD1 ILE 34 -1.484 -0.743 2.132 257 HD13 ILE 34 2HD1 ILE 34 -0.973 -1.103 3.780 258 H ILE 35 H ILE 35 4.906 0.531 4.196 259 HA ILE 35 HA ILE 35 6.048 -1.879 5.348 260 HB ILE 35 HB ILE 35 7.025 0.963 5.628 261 HG12 ILE 35 1HG1 ILE 35 6.836 0.114 3.245 262 HG13 ILE 35 2HG1 ILE 35 8.448 0.605 3.752 263 HG21 ILE 35 1HG2 ILE 35 7.953 -1.640 6.583 264 HG22 ILE 35 2HG2 ILE 35 9.193 -0.694 5.762 265 HG23 ILE 35 3HG2 ILE 35 8.343 -0.018 7.151 266 HD11 ILE 35 3HD1 ILE 35 7.670 -1.826 2.614 267 HD12 ILE 35 1HD1 ILE 35 9.254 -1.389 3.256 268 HD13 ILE 35 2HD1 ILE 35 8.068 -2.177 4.297 269 H SER 36 H SER 36 5.274 1.348 6.664 270 HA SER 36 HA SER 36 4.231 0.036 9.075 271 HB2 SER 36 1HB SER 36 6.680 1.032 9.198 272 HB3 SER 36 2HB SER 36 5.813 2.555 9.393 273 HG SER 36 HG SER 36 4.900 1.805 11.241 274 H GLN 37 H GLN 37 2.889 1.486 10.408 275 HA GLN 37 HA GLN 37 1.556 3.528 8.754 276 HB2 GLN 37 1HB GLN 37 0.238 1.891 10.918 277 HB3 GLN 37 2HB GLN 37 -0.541 2.937 9.738 278 HG2 GLN 37 1HG GLN 37 0.954 0.412 9.070 279 HG3 GLN 37 2HG GLN 37 -0.796 0.533 9.248 280 HE21 GLN 37 1HE2 GLN 37 -1.878 0.784 7.441 281 HE22 GLN 37 2HE2 GLN 37 -1.278 1.480 5.978 282 H LYS 38 H LYS 38 1.594 5.529 9.523 283 HA LYS 38 HA LYS 38 2.558 5.992 12.231 284 HB2 LYS 38 1HB LYS 38 2.147 7.757 9.830 285 HB3 LYS 38 2HB LYS 38 2.469 8.435 11.420 286 HG2 LYS 38 1HG LYS 38 4.507 6.811 11.389 287 HG3 LYS 38 2HG LYS 38 4.254 6.842 9.643 288 HD2 LYS 38 1HD LYS 38 4.332 9.340 9.761 289 HD3 LYS 38 2HD LYS 38 4.796 9.189 11.457 290 HE2 LYS 38 1HE LYS 38 6.328 7.777 9.301 291 HE3 LYS 38 2HE LYS 38 6.647 9.469 9.682 292 HZ1 LYS 38 3HZ LYS 38 8.009 8.678 11.235 293 HZ2 LYS 38 1HZ LYS 38 7.386 7.109 11.124 294 HZ3 LYS 38 2HZ LYS 38 6.627 8.252 12.112 295 H ASP 39 H ASP 39 -0.047 7.405 10.242 296 HA ASP 39 HA ASP 39 -1.745 7.422 12.647 297 HB2 ASP 39 1HB ASP 39 -0.728 9.698 11.793 298 HB3 ASP 39 2HB ASP 39 -2.019 9.586 10.600 299 H GLU 40 H GLU 40 -4.119 7.974 11.905 300 HA GLU 40 HA GLU 40 -5.000 5.806 10.346 301 HB2 GLU 40 1HB GLU 40 -6.400 6.813 12.070 302 HB3 GLU 40 2HB GLU 40 -6.464 8.320 11.167 303 HG2 GLU 40 1HG GLU 40 -7.512 6.926 9.291 304 HG3 GLU 40 2HG GLU 40 -7.758 5.697 10.529 305 H HIS 41 H HIS 41 -4.504 9.214 9.586 306 HA HIS 41 HA HIS 41 -5.222 8.667 6.787 307 HB2 HIS 41 1HB HIS 41 -5.309 11.114 8.493 308 HB3 HIS 41 2HB HIS 41 -5.039 11.314 6.764 309 HD1 HIS 41 1HD HIS 41 -7.173 11.903 5.686 310 HD2 HIS 41 2HD HIS 41 -7.706 9.107 8.711 311 HE1 HIS 41 1HE HIS 41 -9.629 11.363 5.676 312 HE2 HIS 41 2HE HIS 41 -9.942 9.733 7.570 313 H CYS 42 H CYS 42 -2.635 8.122 8.280 314 HA CYS 42 HA CYS 42 -0.892 9.184 6.205 315 HB2 CYS 42 1HB CYS 42 -0.315 9.587 9.148 316 HB3 CYS 42 2HB CYS 42 0.789 9.961 7.831 317 HG CYS 42 HG CYS 42 0.048 12.425 7.926 318 H TRP 43 H TRP 43 -0.134 7.343 5.383 319 HA TRP 43 HA TRP 43 0.881 5.305 7.256 320 HB2 TRP 43 1HB TRP 43 -0.388 4.932 4.536 321 HB3 TRP 43 2HB TRP 43 0.419 3.648 5.431 322 HD1 TRP 43 HD TRP 43 -1.032 5.081 8.222 323 HE1 TRP 43 1HE TRP 43 -3.416 4.251 8.724 324 HE3 TRP 43 3HE TRP 43 -2.182 3.101 3.650 325 HZ2 TRP 43 2HZ TRP 43 -5.507 2.930 7.363 326 HZ3 TRP 43 3HZ TRP 43 -4.394 2.071 3.334 327 HH2 TRP 43 HH TRP 43 -6.020 1.988 5.153 328 H VAL 44 H VAL 44 2.734 4.079 6.531 329 HA VAL 44 HA VAL 44 4.448 5.636 4.709 330 HB VAL 44 HB VAL 44 5.239 3.859 7.020 331 HG11 VAL 44 1HG1 VAL 44 7.058 5.514 5.284 332 HG12 VAL 44 2HG1 VAL 44 7.511 4.352 6.531 333 HG13 VAL 44 3HG1 VAL 44 6.776 3.791 5.029 334 HG21 VAL 44 3HG2 VAL 44 5.329 5.690 8.292 335 HG22 VAL 44 1HG2 VAL 44 6.169 6.606 7.041 336 HG23 VAL 44 2HG2 VAL 44 4.408 6.500 7.024 337 H GLY 45 H GLY 45 4.858 4.711 2.819 338 HA2 GLY 45 1HA GLY 45 4.915 1.758 2.695 339 HA3 GLY 45 2HA GLY 45 4.184 2.737 1.432 340 H GLU 46 H GLU 46 5.725 1.415 0.122 341 HA GLU 46 HA GLU 46 8.251 2.884 -0.132 342 HB2 GLU 46 1HB GLU 46 8.553 0.671 1.088 343 HB3 GLU 46 2HB GLU 46 8.110 -0.114 -0.421 344 HG2 GLU 46 1HG GLU 46 10.026 1.449 -1.365 345 HG3 GLU 46 2HG GLU 46 10.579 1.352 0.306 346 H LEU 47 H LEU 47 8.578 3.569 -2.141 347 HA LEU 47 HA LEU 47 7.760 2.005 -4.426 348 HB2 LEU 47 1HB LEU 47 5.739 3.334 -3.701 349 HB3 LEU 47 2HB LEU 47 6.646 4.785 -4.124 350 HG LEU 47 HG LEU 47 6.852 3.633 -6.458 351 HD11 LEU 47 1HD1 LEU 47 5.928 1.575 -6.388 352 HD12 LEU 47 2HD1 LEU 47 4.444 2.477 -6.692 353 HD13 LEU 47 3HD1 LEU 47 4.852 1.983 -5.050 354 HD21 LEU 47 3HD2 LEU 47 5.630 5.449 -6.846 355 HD22 LEU 47 1HD2 LEU 47 4.901 5.376 -5.241 356 HD23 LEU 47 2HD2 LEU 47 4.194 4.459 -6.572 357 H ASN 48 H ASN 48 8.725 2.687 -6.373 358 HA ASN 48 HA ASN 48 10.516 3.421 -7.579 359 HB2 ASN 48 1HB ASN 48 9.579 5.940 -6.212 360 HB3 ASN 48 2HB ASN 48 10.874 5.950 -7.405 361 HD21 ASN 48 1HD2 ASN 48 7.518 5.881 -6.876 362 HD22 ASN 48 2HD2 ASN 48 7.022 5.775 -8.528 363 H GLY 49 H GLY 49 11.078 2.326 -4.918 364 HA2 GLY 49 1HA GLY 49 12.979 1.939 -3.682 365 HA3 GLY 49 2HA GLY 49 13.842 2.999 -4.787 366 H LEU 50 H LEU 50 11.020 3.976 -2.946 367 HA LEU 50 HA LEU 50 12.751 5.587 -1.197 368 HB2 LEU 50 1HB LEU 50 10.172 6.564 -2.405 369 HB3 LEU 50 2HB LEU 50 11.310 7.485 -1.424 370 HG LEU 50 HG LEU 50 11.895 6.418 -4.184 371 HD11 LEU 50 1HD1 LEU 50 11.880 9.185 -4.255 372 HD12 LEU 50 2HD1 LEU 50 10.455 8.770 -3.302 373 HD13 LEU 50 3HD1 LEU 50 10.655 8.108 -4.926 374 HD21 LEU 50 3HD2 LEU 50 13.754 6.887 -2.411 375 HD22 LEU 50 1HD2 LEU 50 13.418 8.575 -2.794 376 HD23 LEU 50 2HD2 LEU 50 13.939 7.470 -4.067 377 H ARG 51 H ARG 51 11.579 6.413 0.743 378 HA ARG 51 HA ARG 51 9.284 4.786 1.536 379 HB2 ARG 51 1HB ARG 51 12.000 4.698 2.753 380 HB3 ARG 51 2HB ARG 51 10.617 4.617 3.835 381 HG2 ARG 51 1HG ARG 51 9.766 2.700 2.488 382 HG3 ARG 51 2HG ARG 51 11.284 2.734 1.588 383 HD2 ARG 51 1HD ARG 51 12.502 2.416 3.721 384 HD3 ARG 51 2HD ARG 51 10.952 2.273 4.550 385 HE ARG 51 HE ARG 51 10.742 0.376 2.679 386 HH11 ARG 51 1HH1 ARG 51 13.302 1.144 4.909 387 HH12 ARG 51 2HH1 ARG 51 13.862 -0.491 5.034 388 HH21 ARG 51 1HH2 ARG 51 11.470 -1.781 2.833 389 HH22 ARG 51 2HH2 ARG 51 12.819 -2.154 3.851 390 H GLY 52 H GLY 52 7.823 6.319 1.964 391 HA2 GLY 52 1HA GLY 52 8.458 8.285 4.026 392 HA3 GLY 52 2HA GLY 52 7.965 8.919 2.462 393 H TRP 53 H TRP 53 6.334 9.822 4.130 394 HA TRP 53 HA TRP 53 4.180 7.942 4.709 395 HB2 TRP 53 1HB TRP 53 3.272 9.605 6.135 396 HB3 TRP 53 2HB TRP 53 5.016 9.668 6.382 397 HD1 TRP 53 HD TRP 53 6.297 11.717 4.935 398 HE1 TRP 53 1HE TRP 53 5.471 14.121 4.536 399 HE3 TRP 53 3HE TRP 53 1.318 11.033 5.874 400 HZ2 TRP 53 2HZ TRP 53 3.033 15.542 4.608 401 HZ3 TRP 53 3HZ TRP 53 -0.194 12.967 5.688 402 HH2 TRP 53 HH TRP 53 0.649 15.173 5.068 403 H PHE 54 H PHE 54 1.902 8.792 4.325 404 HA PHE 54 HA PHE 54 1.370 10.650 2.278 405 HB2 PHE 54 1HB PHE 54 0.765 9.157 0.443 406 HB3 PHE 54 2HB PHE 54 2.465 8.954 0.860 407 HD1 PHE 54 1HD PHE 54 -0.897 7.481 1.423 408 HD2 PHE 54 2HD PHE 54 3.310 6.846 1.342 409 HE1 PHE 54 1HE PHE 54 -1.261 5.062 1.694 410 HE2 PHE 54 2HE PHE 54 2.954 4.426 1.612 411 HZ PHE 54 HZ PHE 54 0.666 3.531 1.786 412 HA PRO 55 HA PRO 55 -2.665 10.165 3.936 413 HB2 PRO 55 1HB PRO 55 -4.175 11.091 1.877 414 HB3 PRO 55 2HB PRO 55 -3.192 12.147 2.899 415 HG2 PRO 55 1HG PRO 55 -2.587 11.038 0.185 416 HG3 PRO 55 2HG PRO 55 -2.319 12.675 0.809 417 HD2 PRO 55 1HD PRO 55 -0.336 10.840 0.633 418 HD3 PRO 55 2HD PRO 55 -0.383 12.075 1.908 419 H ALA 56 H ALA 56 -3.480 8.183 4.236 420 HA ALA 56 HA ALA 56 -3.550 6.093 2.420 421 HB1 ALA 56 3HB ALA 56 -5.771 6.089 4.332 422 HB2 ALA 56 1HB ALA 56 -4.470 4.922 4.096 423 HB3 ALA 56 2HB ALA 56 -4.187 6.378 5.050 424 H LYS 57 H LYS 57 -6.016 8.537 3.106 425 HA LYS 57 HA LYS 57 -8.155 7.556 1.690 426 HB2 LYS 57 1HB LYS 57 -8.823 9.921 1.342 427 HB3 LYS 57 2HB LYS 57 -8.336 9.579 2.997 428 HG2 LYS 57 1HG LYS 57 -6.036 10.463 2.304 429 HG3 LYS 57 2HG LYS 57 -6.864 11.118 0.890 430 HD2 LYS 57 1HD LYS 57 -7.998 11.645 3.597 431 HD3 LYS 57 2HD LYS 57 -6.576 12.552 3.076 432 HE2 LYS 57 1HE LYS 57 -8.207 13.937 2.291 433 HE3 LYS 57 2HE LYS 57 -8.039 12.875 0.893 434 HZ1 LYS 57 3HZ LYS 57 -10.233 13.117 2.784 435 HZ2 LYS 57 1HZ LYS 57 -9.860 11.544 2.283 436 HZ3 LYS 57 2HZ LYS 57 -10.258 12.725 1.139 437 H PHE 58 H PHE 58 -5.316 9.248 0.452 438 HA PHE 58 HA PHE 58 -6.191 9.576 -2.197 439 HB2 PHE 58 1HB PHE 58 -3.553 9.580 -0.816 440 HB3 PHE 58 2HB PHE 58 -3.553 9.415 -2.568 441 HD1 PHE 58 2HD PHE 58 -5.026 11.530 0.121 442 HD2 PHE 58 1HD PHE 58 -3.549 11.314 -3.865 443 HE1 PHE 58 2HE PHE 58 -5.285 13.967 -0.103 444 HE2 PHE 58 1HE PHE 58 -3.803 13.752 -4.094 445 HZ PHE 58 HZ PHE 58 -4.673 15.081 -2.212 446 H VAL 59 H VAL 59 -4.960 6.824 -0.487 447 HA VAL 59 HA VAL 59 -4.946 5.280 -3.002 448 HB VAL 59 HB VAL 59 -3.396 3.724 -1.983 449 HG11 VAL 59 1HG1 VAL 59 -2.314 5.482 -3.130 450 HG12 VAL 59 2HG1 VAL 59 -2.601 6.620 -1.812 451 HG13 VAL 59 3HG1 VAL 59 -1.449 5.300 -1.604 452 HG21 VAL 59 3HG2 VAL 59 -2.963 5.430 0.406 453 HG22 VAL 59 1HG2 VAL 59 -4.387 4.389 0.390 454 HG23 VAL 59 2HG2 VAL 59 -2.779 3.687 0.210 455 H GLU 60 H GLU 60 -5.270 2.819 -2.435 456 HA GLU 60 HA GLU 60 -7.475 2.564 -0.505 457 HB2 GLU 60 1HB GLU 60 -8.429 2.752 -2.754 458 HB3 GLU 60 2HB GLU 60 -7.414 1.426 -3.305 459 HG2 GLU 60 1HG GLU 60 -8.578 -0.137 -1.947 460 HG3 GLU 60 2HG GLU 60 -9.449 1.147 -1.110 461 H VAL 61 H VAL 61 -7.350 0.842 0.800 462 HA VAL 61 HA VAL 61 -5.024 -0.790 0.789 463 HB VAL 61 HB VAL 61 -7.576 -1.144 2.369 464 HG11 VAL 61 1HG1 VAL 61 -4.928 -2.500 2.413 465 HG12 VAL 61 2HG1 VAL 61 -5.759 -2.228 3.946 466 HG13 VAL 61 3HG1 VAL 61 -6.543 -3.163 2.671 467 HG21 VAL 61 3HG2 VAL 61 -6.758 0.274 3.975 468 HG22 VAL 61 1HG2 VAL 61 -5.078 0.009 3.510 469 HG23 VAL 61 2HG2 VAL 61 -6.113 1.041 2.523 470 H LEU 62 H LEU 62 -4.850 -3.038 0.485 471 HA LEU 62 HA LEU 62 -7.057 -4.296 -0.998 472 HB2 LEU 62 1HB LEU 62 -4.260 -4.969 -1.732 473 HB3 LEU 62 2HB LEU 62 -5.723 -4.989 -2.717 474 HG LEU 62 HG LEU 62 -4.598 -2.368 -1.836 475 HD11 LEU 62 1HD1 LEU 62 -3.606 -3.850 -4.260 476 HD12 LEU 62 2HD1 LEU 62 -2.713 -3.743 -2.744 477 HD13 LEU 62 3HD1 LEU 62 -3.073 -2.280 -3.661 478 HD21 LEU 62 3HD2 LEU 62 -6.567 -2.028 -2.964 479 HD22 LEU 62 1HD2 LEU 62 -6.336 -3.424 -4.015 480 HD23 LEU 62 2HD2 LEU 62 -5.411 -1.949 -4.293 481 H ASP 63 H ASP 63 -7.327 -6.499 -0.698 482 HA ASP 63 HA ASP 63 -5.707 -7.680 1.462 483 HB2 ASP 63 1HB ASP 63 -8.254 -7.147 1.791 484 HB3 ASP 63 2HB ASP 63 -8.486 -8.617 0.848 485 H GLU 64 H GLU 64 -4.668 -9.528 1.052 486 HA GLU 64 HA GLU 64 -5.355 -10.972 -1.423 487 HB2 GLU 64 1HB GLU 64 -2.628 -10.723 -0.141 488 HB3 GLU 64 2HB GLU 64 -2.998 -11.574 -1.634 489 HG2 GLU 64 1HG GLU 64 -2.113 -9.570 -2.366 490 HG3 GLU 64 2HG GLU 64 -3.853 -9.308 -2.478 491 H ARG 65 H ARG 65 -3.940 -11.342 1.816 492 HA ARG 65 HA ARG 65 -3.668 -14.022 2.055 493 HB2 ARG 65 1HB ARG 65 -4.939 -12.227 4.132 494 HB3 ARG 65 2HB ARG 65 -4.198 -13.792 4.440 495 HG2 ARG 65 1HG ARG 65 -2.672 -11.506 3.238 496 HG3 ARG 65 2HG ARG 65 -2.816 -11.744 4.980 497 HD2 ARG 65 1HD ARG 65 -0.877 -12.884 4.605 498 HD3 ARG 65 2HD ARG 65 -2.036 -14.188 4.347 499 HE ARG 65 HE ARG 65 -1.749 -13.169 1.874 500 HH11 ARG 65 1HH1 ARG 65 0.553 -14.174 4.286 501 HH12 ARG 65 2HH1 ARG 65 1.753 -14.649 3.130 502 HH21 ARG 65 1HH2 ARG 65 -0.177 -13.792 0.342 503 HH22 ARG 65 2HH2 ARG 65 1.337 -14.430 0.887 504 H SER 66 H SER 66 -6.721 -12.275 2.644 505 HA SER 66 HA SER 66 -8.301 -14.534 3.126 506 HB2 SER 66 1HB SER 66 -9.174 -12.401 3.739 507 HB3 SER 66 2HB SER 66 -8.995 -11.780 2.098 508 HG SER 66 HG SER 66 -10.845 -12.636 1.587 509 H LYS 67 H LYS 67 -7.797 -12.703 0.119 510 HA LYS 67 HA LYS 67 -8.072 -13.259 -2.069 511 HB2 LYS 67 1HB LYS 67 -6.695 -15.289 -1.069 512 HB3 LYS 67 2HB LYS 67 -8.177 -16.171 -1.416 513 HG2 LYS 67 1HG LYS 67 -7.951 -15.083 -3.769 514 HG3 LYS 67 2HG LYS 67 -6.264 -14.869 -3.297 515 HD2 LYS 67 1HD LYS 67 -6.321 -17.360 -2.687 516 HD3 LYS 67 2HD LYS 67 -7.818 -17.420 -3.622 517 HE2 LYS 67 1HE LYS 67 -6.697 -16.727 -5.606 518 HE3 LYS 67 2HE LYS 67 -5.227 -16.339 -4.713 519 HZ1 LYS 67 3HZ LYS 67 -4.535 -18.422 -4.907 520 HZ2 LYS 67 1HZ LYS 67 -5.833 -18.721 -5.951 521 HZ3 LYS 67 2HZ LYS 67 -5.986 -19.044 -4.298 522 H GLU 68 H GLU 68 -10.389 -12.662 -0.655 523 HA GLU 68 HA GLU 68 -12.469 -14.519 -0.896 524 HB2 GLU 68 1HB GLU 68 -12.767 -12.554 0.453 525 HB3 GLU 68 2HB GLU 68 -12.499 -11.500 -0.928 526 HG2 GLU 68 1HG GLU 68 -14.565 -12.373 -1.953 527 HG3 GLU 68 2HG GLU 68 -14.846 -13.335 -0.504 528 H TYR 69 H TYR 69 -13.257 -15.441 -2.657 529 HA TYR 69 HA TYR 69 -12.658 -14.562 -5.282 530 HB2 TYR 69 1HB TYR 69 -14.521 -16.643 -4.163 531 HB3 TYR 69 2HB TYR 69 -14.473 -16.296 -5.887 532 HD1 TYR 69 2HD TYR 69 -11.956 -16.837 -3.168 533 HD2 TYR 69 1HD TYR 69 -13.231 -17.792 -7.113 534 HE1 TYR 69 2HE TYR 69 -10.038 -18.356 -3.415 535 HE2 TYR 69 1HE TYR 69 -11.316 -19.313 -7.370 536 HH TYR 69 HH TYR 69 -8.916 -19.699 -4.782 537 H SER 70 H SER 70 -13.379 -12.433 -5.483 538 HA SER 70 HA SER 70 -15.962 -11.522 -4.885 539 HB2 SER 70 1HB SER 70 -14.003 -10.506 -6.960 540 HB3 SER 70 2HB SER 70 -15.431 -9.633 -6.406 541 HG SER 70 HG SER 70 -14.372 -9.048 -4.693 542 H ILE 71 H ILE 71 -17.630 -10.839 -6.427 543 HA ILE 71 HA ILE 71 -18.327 -13.001 -8.179 544 HB ILE 71 HB ILE 71 -20.379 -11.743 -8.622 545 HG12 ILE 71 1HG1 ILE 71 -19.545 -9.612 -6.698 546 HG13 ILE 71 2HG1 ILE 71 -19.011 -9.496 -8.372 547 HG21 ILE 71 1HG2 ILE 71 -21.331 -11.991 -6.501 548 HG22 ILE 71 2HG2 ILE 71 -19.960 -13.099 -6.492 549 HG23 ILE 71 3HG2 ILE 71 -19.839 -11.538 -5.679 550 HD11 ILE 71 3HD1 ILE 71 -21.891 -9.982 -7.835 551 HD12 ILE 71 1HD1 ILE 71 -21.234 -8.369 -7.563 552 HD13 ILE 71 2HD1 ILE 71 -21.115 -9.112 -9.158 553 H ALA 72 H ALA 72 -19.221 -12.463 -10.413 554 HA ALA 72 HA ALA 72 -18.032 -10.268 -11.825 555 HB1 ALA 72 3HB ALA 72 -17.017 -13.030 -12.473 556 HB2 ALA 72 1HB ALA 72 -16.581 -11.526 -13.284 557 HB3 ALA 72 2HB ALA 72 -16.103 -11.797 -11.607 558 H SER 73 H SER 73 -18.974 -9.924 -13.813 559 HA SER 73 HA SER 73 -21.524 -10.686 -14.310 560 HB2 SER 73 1HB SER 73 -19.491 -10.227 -16.505 561 HB3 SER 73 2HB SER 73 -21.233 -9.968 -16.602 562 HG SER 73 HG SER 73 -20.641 -8.506 -14.639 563 H GLY 74 H GLY 74 -22.558 -12.488 -14.871 564 HA2 GLY 74 1HA GLY 74 -21.076 -14.904 -15.359 565 HA3 GLY 74 2HA GLY 74 -22.825 -14.749 -15.277 566 HA PRO 75 HA PRO 75 -23.058 -15.259 -19.623 567 HB2 PRO 75 1HB PRO 75 -25.292 -13.824 -20.191 568 HB3 PRO 75 2HB PRO 75 -25.337 -15.384 -19.363 569 HG2 PRO 75 1HG PRO 75 -25.490 -12.623 -18.213 570 HG3 PRO 75 2HG PRO 75 -26.442 -14.061 -17.799 571 HD2 PRO 75 1HD PRO 75 -24.344 -13.222 -16.307 572 HD3 PRO 75 2HD PRO 75 -24.773 -14.938 -16.472 573 H SER 76 H SER 76 -22.573 -14.261 -21.568 574 HA SER 76 HA SER 76 -21.765 -11.437 -21.363 575 HB2 SER 76 1HB SER 76 -20.044 -13.335 -21.841 576 HB3 SER 76 2HB SER 76 -20.721 -13.307 -23.470 577 HG SER 76 HG SER 76 -20.072 -11.205 -23.698 578 H SER 77 H SER 77 -22.283 -10.003 -23.004 579 HA SER 77 HA SER 77 -24.257 -10.974 -24.967 580 HB2 SER 77 1HB SER 77 -24.221 -8.357 -23.448 581 HB3 SER 77 2HB SER 77 -25.297 -8.692 -24.804 582 HG SER 77 HG SER 77 -26.544 -9.463 -23.292 583 H GLY 78 H GLY 78 -22.179 -8.133 -24.347 584 HA2 GLY 78 1HA GLY 78 -20.545 -8.380 -26.571 585 HA3 GLY 78 2HA GLY 78 -21.949 -7.467 -27.102 Start of MODEL 10 1 H1 GLY 1 H GLY 1 11.611 -15.338 -0.647 2 HA2 GLY 1 1HA GLY 1 9.706 -13.792 0.202 3 HA3 GLY 1 2HA GLY 1 8.721 -15.209 -0.130 4 H SER 2 H SER 2 9.752 -13.628 2.357 5 HA SER 2 HA SER 2 10.483 -16.033 3.897 6 HB2 SER 2 1HB SER 2 11.562 -13.242 4.017 7 HB3 SER 2 2HB SER 2 11.534 -14.218 5.486 8 HG SER 2 HG SER 2 13.448 -14.285 3.923 9 H SER 3 H SER 3 9.645 -16.202 6.015 10 HA SER 3 HA SER 3 7.187 -14.639 6.414 11 HB2 SER 3 1HB SER 3 7.997 -17.400 7.327 12 HB3 SER 3 2HB SER 3 6.595 -16.560 7.989 13 HG SER 3 HG SER 3 6.112 -16.314 5.563 14 H GLY 4 H GLY 4 7.137 -13.186 7.990 15 HA2 GLY 4 1HA GLY 4 8.191 -13.612 10.579 16 HA3 GLY 4 2HA GLY 4 9.297 -12.605 9.658 17 H SER 5 H SER 5 7.688 -10.988 8.225 18 HA SER 5 HA SER 5 6.072 -9.614 10.271 19 HB2 SER 5 1HB SER 5 8.167 -8.587 8.422 20 HB3 SER 5 2HB SER 5 6.775 -7.548 8.725 21 HG SER 5 HG SER 5 7.981 -8.739 10.933 22 H SER 6 H SER 6 4.253 -8.420 9.530 23 HA SER 6 HA SER 6 2.914 -9.682 7.320 24 HB2 SER 6 1HB SER 6 2.144 -7.652 9.390 25 HB3 SER 6 2HB SER 6 1.117 -7.893 7.975 26 HG SER 6 HG SER 6 0.332 -9.480 9.108 27 H GLY 7 H GLY 7 2.553 -8.900 5.316 28 HA2 GLY 7 1HA GLY 7 3.506 -6.162 4.746 29 HA3 GLY 7 2HA GLY 7 3.849 -7.515 3.679 30 H ARG 8 H ARG 8 2.090 -4.861 3.795 31 HA ARG 8 HA ARG 8 -0.212 -6.084 2.419 32 HB2 ARG 8 1HB ARG 8 -0.052 -3.842 4.374 33 HB3 ARG 8 2HB ARG 8 -1.248 -3.729 3.090 34 HG2 ARG 8 1HG ARG 8 -2.153 -5.917 3.788 35 HG3 ARG 8 2HG ARG 8 -1.001 -5.934 5.126 36 HD2 ARG 8 1HD ARG 8 -2.103 -4.295 6.276 37 HD3 ARG 8 2HD ARG 8 -2.744 -3.549 4.813 38 HE ARG 8 HE ARG 8 -3.884 -6.113 5.221 39 HH11 ARG 8 1HH1 ARG 8 -3.996 -2.829 6.374 40 HH12 ARG 8 2HH1 ARG 8 -5.641 -2.934 6.907 41 HH21 ARG 8 1HH2 ARG 8 -6.051 -6.262 5.918 42 HH22 ARG 8 2HH2 ARG 8 -6.808 -4.888 6.648 43 H ARG 9 H ARG 9 -1.296 -4.447 0.899 44 HA ARG 9 HA ARG 9 0.561 -2.579 -0.337 45 HB2 ARG 9 1HB ARG 9 -0.583 -4.960 -1.803 46 HB3 ARG 9 2HB ARG 9 0.180 -3.588 -2.594 47 HG2 ARG 9 1HG ARG 9 2.247 -4.091 -1.273 48 HG3 ARG 9 2HG ARG 9 1.458 -5.574 -0.735 49 HD2 ARG 9 1HD ARG 9 1.090 -5.971 -3.285 50 HD3 ARG 9 2HD ARG 9 2.403 -4.807 -3.465 51 HE ARG 9 HE ARG 9 3.011 -6.924 -1.630 52 HH11 ARG 9 1HH1 ARG 9 2.970 -5.985 -4.981 53 HH12 ARG 9 2HH1 ARG 9 4.203 -7.110 -5.446 54 HH21 ARG 9 1HH2 ARG 9 4.635 -8.411 -2.231 55 HH22 ARG 9 2HH2 ARG 9 5.147 -8.490 -3.882 56 H ALA 10 H ALA 10 -0.459 -0.848 -1.165 57 HA ALA 10 HA ALA 10 -3.396 -0.982 -1.385 58 HB1 ALA 10 3HB ALA 10 -2.298 0.477 0.439 59 HB2 ALA 10 1HB ALA 10 -1.907 1.568 -0.891 60 HB3 ALA 10 2HB ALA 10 -3.590 1.173 -0.540 61 H LYS 11 H LYS 11 -4.334 0.633 -2.913 62 HA LYS 11 HA LYS 11 -2.609 0.925 -5.285 63 HB2 LYS 11 1HB LYS 11 -4.465 -0.734 -5.515 64 HB3 LYS 11 2HB LYS 11 -5.611 0.572 -5.250 65 HG2 LYS 11 1HG LYS 11 -4.450 1.700 -7.255 66 HG3 LYS 11 2HG LYS 11 -3.813 0.089 -7.591 67 HD2 LYS 11 1HD LYS 11 -5.741 0.022 -8.826 68 HD3 LYS 11 2HD LYS 11 -6.342 -0.600 -7.287 69 HE2 LYS 11 1HE LYS 11 -7.930 0.990 -7.803 70 HE3 LYS 11 2HE LYS 11 -6.826 1.907 -6.777 71 HZ1 LYS 11 3HZ LYS 11 -5.724 2.424 -9.087 72 HZ2 LYS 11 1HZ LYS 11 -7.034 3.332 -8.517 73 HZ3 LYS 11 2HZ LYS 11 -7.285 2.110 -9.659 74 H ALA 12 H ALA 12 -2.452 2.885 -6.222 75 HA ALA 12 HA ALA 12 -3.550 5.152 -4.821 76 HB1 ALA 12 3HB ALA 12 -2.273 6.467 -6.521 77 HB2 ALA 12 1HB ALA 12 -1.297 5.340 -5.578 78 HB3 ALA 12 2HB ALA 12 -1.759 4.937 -7.232 79 H LEU 13 H LEU 13 -5.469 6.012 -5.231 80 HA LEU 13 HA LEU 13 -6.941 5.297 -7.605 81 HB2 LEU 13 1HB LEU 13 -7.767 7.317 -5.542 82 HB3 LEU 13 2HB LEU 13 -8.795 6.360 -6.606 83 HG LEU 13 HG LEU 13 -7.116 5.017 -4.521 84 HD11 LEU 13 1HD1 LEU 13 -9.442 6.763 -4.086 85 HD12 LEU 13 2HD1 LEU 13 -8.174 6.255 -2.971 86 HD13 LEU 13 3HD1 LEU 13 -9.527 5.177 -3.317 87 HD21 LEU 13 3HD2 LEU 13 -9.643 4.385 -6.023 88 HD22 LEU 13 1HD2 LEU 13 -9.134 3.478 -4.598 89 HD23 LEU 13 2HD2 LEU 13 -8.110 3.511 -6.034 90 H LEU 14 H LEU 14 -4.714 7.674 -6.841 91 HA LEU 14 HA LEU 14 -5.176 9.059 -9.305 92 HB2 LEU 14 1HB LEU 14 -5.514 11.272 -8.362 93 HB3 LEU 14 2HB LEU 14 -6.818 10.180 -7.899 94 HG LEU 14 HG LEU 14 -4.550 10.576 -6.006 95 HD11 LEU 14 1HD1 LEU 14 -5.124 12.844 -6.727 96 HD12 LEU 14 2HD1 LEU 14 -5.616 12.545 -5.061 97 HD13 LEU 14 3HD1 LEU 14 -6.819 12.532 -6.350 98 HD21 LEU 14 3HD2 LEU 14 -6.242 10.164 -4.362 99 HD22 LEU 14 1HD2 LEU 14 -6.389 8.939 -5.623 100 HD23 LEU 14 2HD2 LEU 14 -7.520 10.291 -5.572 101 H ASP 15 H ASP 15 -3.646 11.149 -9.257 102 HA ASP 15 HA ASP 15 -1.019 10.097 -8.644 103 HB2 ASP 15 1HB ASP 15 -0.967 11.110 -10.718 104 HB3 ASP 15 2HB ASP 15 -2.079 12.391 -10.238 105 H PHE 16 H PHE 16 0.456 10.959 -7.222 106 HA PHE 16 HA PHE 16 -0.410 13.206 -5.549 107 HB2 PHE 16 1HB PHE 16 -1.008 11.128 -4.360 108 HB3 PHE 16 2HB PHE 16 0.666 10.594 -4.468 109 HD1 PHE 16 1HD PHE 16 -1.483 13.293 -3.102 110 HD2 PHE 16 2HD PHE 16 2.199 11.176 -2.819 111 HE1 PHE 16 1HE PHE 16 -0.987 14.444 -0.984 112 HE2 PHE 16 2HE PHE 16 2.699 12.322 -0.699 113 HZ PHE 16 HZ PHE 16 1.105 13.959 0.220 114 H GLU 17 H GLU 17 1.109 14.709 -5.680 115 HA GLU 17 HA GLU 17 3.855 13.952 -6.302 116 HB2 GLU 17 1HB GLU 17 2.254 16.456 -6.468 117 HB3 GLU 17 2HB GLU 17 3.990 16.617 -6.238 118 HG2 GLU 17 1HG GLU 17 3.003 14.810 -8.380 119 HG3 GLU 17 2HG GLU 17 2.920 16.552 -8.635 120 H ARG 18 H ARG 18 4.985 13.340 -4.558 121 HA ARG 18 HA ARG 18 4.568 14.005 -1.920 122 HB2 ARG 18 1HB ARG 18 6.715 13.130 -1.456 123 HB3 ARG 18 2HB ARG 18 6.144 12.252 -2.869 124 HG2 ARG 18 1HG ARG 18 7.449 14.128 -4.162 125 HG3 ARG 18 2HG ARG 18 8.322 14.259 -2.633 126 HD2 ARG 18 1HD ARG 18 8.785 11.835 -2.731 127 HD3 ARG 18 2HD ARG 18 7.981 11.767 -4.298 128 HE ARG 18 HE ARG 18 10.610 12.831 -3.730 129 HH11 ARG 18 1HH1 ARG 18 7.959 12.658 -5.978 130 HH12 ARG 18 2HH1 ARG 18 8.924 13.086 -7.352 131 HH21 ARG 18 1HH2 ARG 18 11.892 13.396 -5.529 132 HH22 ARG 18 2HH2 ARG 18 11.162 13.505 -7.094 133 H HIS 19 H HIS 19 4.387 15.999 -1.125 134 HA HIS 19 HA HIS 19 5.529 18.314 -2.209 135 HB2 HIS 19 1HB HIS 19 4.561 17.792 0.608 136 HB3 HIS 19 2HB HIS 19 4.914 19.386 -0.054 137 HD1 HIS 19 1HD HIS 19 2.087 17.854 0.878 138 HD2 HIS 19 2HD HIS 19 3.293 19.177 -2.871 139 HE1 HIS 19 1HE HIS 19 -0.032 18.174 -0.436 140 HE2 HIS 19 2HE HIS 19 0.727 18.894 -2.728 141 H ASP 20 H ASP 20 6.449 16.627 0.798 142 HA ASP 20 HA ASP 20 8.999 18.025 0.810 143 HB2 ASP 20 1HB ASP 20 7.459 17.476 2.863 144 HB3 ASP 20 2HB ASP 20 8.262 15.909 2.799 145 H ASP 21 H ASP 21 10.992 17.072 0.575 146 HA ASP 21 HA ASP 21 11.382 15.079 -1.240 147 HB2 ASP 21 1HB ASP 21 13.080 16.098 1.009 148 HB3 ASP 21 2HB ASP 21 13.637 14.726 0.054 149 H ASP 22 H ASP 22 10.750 14.731 2.181 150 HA ASP 22 HA ASP 22 11.413 11.956 2.328 151 HB2 ASP 22 1HB ASP 22 9.707 13.669 4.149 152 HB3 ASP 22 2HB ASP 22 10.257 12.037 4.517 153 H GLU 23 H GLU 23 8.370 13.759 2.027 154 HA GLU 23 HA GLU 23 6.506 11.788 2.201 155 HB2 GLU 23 1HB GLU 23 6.692 14.240 0.508 156 HB3 GLU 23 2HB GLU 23 5.379 13.114 0.205 157 HG2 GLU 23 1HG GLU 23 4.767 13.296 2.615 158 HG3 GLU 23 2HG GLU 23 5.976 14.570 2.767 159 H LEU 24 H LEU 24 5.421 10.433 0.673 160 HA LEU 24 HA LEU 24 7.221 9.460 -1.440 161 HB2 LEU 24 1HB LEU 24 6.659 7.867 0.351 162 HB3 LEU 24 2HB LEU 24 4.953 8.035 -0.056 163 HG LEU 24 HG LEU 24 5.402 7.054 -2.268 164 HD11 LEU 24 1HD1 LEU 24 7.546 7.382 -2.919 165 HD12 LEU 24 2HD1 LEU 24 7.745 5.781 -2.207 166 HD13 LEU 24 3HD1 LEU 24 8.188 7.216 -1.284 167 HD21 LEU 24 3HD2 LEU 24 5.510 5.739 0.270 168 HD22 LEU 24 1HD2 LEU 24 6.506 4.863 -0.891 169 HD23 LEU 24 2HD2 LEU 24 4.807 5.177 -1.248 170 H GLY 25 H GLY 25 6.684 10.004 -3.442 171 HA2 GLY 25 1HA GLY 25 3.896 10.711 -4.027 172 HA3 GLY 25 2HA GLY 25 5.293 11.136 -5.005 173 H PHE 26 H PHE 26 2.648 9.665 -5.484 174 HA PHE 26 HA PHE 26 3.852 7.466 -7.012 175 HB2 PHE 26 1HB PHE 26 1.536 6.298 -6.488 176 HB3 PHE 26 2HB PHE 26 2.896 6.159 -5.378 177 HD1 PHE 26 2HD PHE 26 2.988 7.737 -3.397 178 HD2 PHE 26 1HD PHE 26 -0.490 7.216 -5.794 179 HE1 PHE 26 2HE PHE 26 1.606 8.672 -1.589 180 HE2 PHE 26 1HE PHE 26 -1.878 8.151 -3.989 181 HZ PHE 26 HZ PHE 26 -0.830 8.879 -1.883 182 H ARG 27 H ARG 27 1.891 6.521 -8.459 183 HA ARG 27 HA ARG 27 0.612 8.850 -9.733 184 HB2 ARG 27 1HB ARG 27 2.003 6.497 -11.001 185 HB3 ARG 27 2HB ARG 27 0.874 7.508 -11.891 186 HG2 ARG 27 1HG ARG 27 3.148 8.782 -10.446 187 HG3 ARG 27 2HG ARG 27 3.434 7.978 -11.989 188 HD2 ARG 27 1HD ARG 27 1.520 9.373 -12.901 189 HD3 ARG 27 2HD ARG 27 1.623 10.306 -11.410 190 HE ARG 27 HE ARG 27 4.165 10.121 -12.636 191 HH11 ARG 27 1HH1 ARG 27 1.080 11.703 -12.950 192 HH12 ARG 27 2HH1 ARG 27 1.730 13.094 -13.756 193 HH21 ARG 27 1HH2 ARG 27 5.031 11.944 -13.696 194 HH22 ARG 27 2HH2 ARG 27 3.977 13.229 -14.181 195 H LYS 28 H LYS 28 -1.251 8.201 -11.165 196 HA LYS 28 HA LYS 28 -3.180 6.828 -9.661 197 HB2 LYS 28 1HB LYS 28 -3.686 8.572 -11.352 198 HB3 LYS 28 2HB LYS 28 -3.232 7.444 -12.621 199 HG2 LYS 28 1HG LYS 28 -5.038 5.921 -11.778 200 HG3 LYS 28 2HG LYS 28 -5.562 7.243 -10.732 201 HD2 LYS 28 1HD LYS 28 -5.982 8.649 -12.648 202 HD3 LYS 28 2HD LYS 28 -5.322 7.425 -13.735 203 HE2 LYS 28 1HE LYS 28 -7.141 5.998 -13.427 204 HE3 LYS 28 2HE LYS 28 -7.636 6.799 -11.938 205 HZ1 LYS 28 3HZ LYS 28 -8.873 8.247 -13.063 206 HZ2 LYS 28 1HZ LYS 28 -8.693 7.231 -14.404 207 HZ3 LYS 28 2HZ LYS 28 -7.660 8.555 -14.202 208 H ASN 29 H ASN 29 -3.898 4.766 -9.656 209 HA ASN 29 HA ASN 29 -3.980 2.524 -10.034 210 HB2 ASN 29 1HB ASN 29 -2.984 3.275 -12.794 211 HB3 ASN 29 2HB ASN 29 -3.667 1.717 -12.338 212 HD21 ASN 29 1HD2 ASN 29 -4.820 2.920 -14.381 213 HD22 ASN 29 2HD2 ASN 29 -6.347 3.603 -13.944 214 H ASP 30 H ASP 30 -1.746 3.477 -8.721 215 HA ASP 30 HA ASP 30 0.387 1.714 -9.738 216 HB2 ASP 30 1HB ASP 30 0.562 4.354 -8.296 217 HB3 ASP 30 2HB ASP 30 1.924 3.238 -8.367 218 H ILE 31 H ILE 31 1.498 0.427 -8.259 219 HA ILE 31 HA ILE 31 0.025 -0.079 -5.780 220 HB ILE 31 HB ILE 31 2.175 -1.770 -7.060 221 HG12 ILE 31 1HG1 ILE 31 0.171 -1.529 -8.500 222 HG13 ILE 31 2HG1 ILE 31 0.380 -3.173 -7.906 223 HG21 ILE 31 1HG2 ILE 31 0.683 -3.446 -5.556 224 HG22 ILE 31 2HG2 ILE 31 2.155 -2.658 -4.991 225 HG23 ILE 31 3HG2 ILE 31 0.579 -1.970 -4.597 226 HD11 ILE 31 3HD1 ILE 31 -1.323 -2.774 -6.206 227 HD12 ILE 31 1HD1 ILE 31 -1.533 -1.129 -6.805 228 HD13 ILE 31 2HD1 ILE 31 -1.948 -2.501 -7.833 229 H ILE 32 H ILE 32 0.842 0.334 -3.824 230 HA ILE 32 HA ILE 32 3.711 0.970 -3.615 231 HB ILE 32 HB ILE 32 1.472 2.390 -2.168 232 HG12 ILE 32 1HG1 ILE 32 3.364 3.710 -4.076 233 HG13 ILE 32 2HG1 ILE 32 1.985 2.823 -4.715 234 HG21 ILE 32 1HG2 ILE 32 3.873 2.007 -1.133 235 HG22 ILE 32 2HG2 ILE 32 4.277 3.366 -2.181 236 HG23 ILE 32 3HG2 ILE 32 3.023 3.542 -0.954 237 HD11 ILE 32 3HD1 ILE 32 2.097 5.398 -3.314 238 HD12 ILE 32 1HD1 ILE 32 0.968 4.810 -4.535 239 HD13 ILE 32 2HD1 ILE 32 0.769 4.336 -2.848 240 H THR 33 H THR 33 4.765 -0.182 -2.143 241 HA THR 33 HA THR 33 3.436 -2.122 -0.543 242 HB THR 33 HB THR 33 6.311 -1.186 -0.439 243 HG1 THR 33 1HG THR 33 5.277 -2.310 -2.399 244 HG21 THR 33 3HG2 THR 33 4.828 -2.964 1.265 245 HG22 THR 33 1HG2 THR 33 6.512 -2.455 1.382 246 HG23 THR 33 2HG2 THR 33 6.080 -3.856 0.401 247 H ILE 34 H ILE 34 2.970 -2.152 1.605 248 HA ILE 34 HA ILE 34 3.189 0.412 3.014 249 HB ILE 34 HB ILE 34 1.448 -1.977 3.636 250 HG12 ILE 34 1HG1 ILE 34 0.888 0.671 2.300 251 HG13 ILE 34 2HG1 ILE 34 0.637 -0.943 1.643 252 HG21 ILE 34 1HG2 ILE 34 0.544 -0.814 5.420 253 HG22 ILE 34 2HG2 ILE 34 2.255 -0.401 5.528 254 HG23 ILE 34 3HG2 ILE 34 1.114 0.745 4.826 255 HD11 ILE 34 3HD1 ILE 34 -0.934 -1.017 3.853 256 HD12 ILE 34 1HD1 ILE 34 -1.071 0.675 3.380 257 HD13 ILE 34 2HD1 ILE 34 -1.489 -0.598 2.232 258 H ILE 35 H ILE 35 4.923 0.567 4.273 259 HA ILE 35 HA ILE 35 6.106 -1.795 5.478 260 HB ILE 35 HB ILE 35 6.981 1.085 5.710 261 HG12 ILE 35 1HG1 ILE 35 6.922 0.075 3.365 262 HG13 ILE 35 2HG1 ILE 35 8.467 0.722 3.905 263 HG21 ILE 35 1HG2 ILE 35 8.104 -1.511 6.631 264 HG22 ILE 35 2HG2 ILE 35 9.215 -0.242 6.119 265 HG23 ILE 35 3HG2 ILE 35 8.080 0.057 7.435 266 HD11 ILE 35 3HD1 ILE 35 7.928 -1.829 2.896 267 HD12 ILE 35 1HD1 ILE 35 9.444 -1.228 3.567 268 HD13 ILE 35 2HD1 ILE 35 8.278 -2.042 4.612 269 H SER 36 H SER 36 5.238 1.425 6.757 270 HA SER 36 HA SER 36 4.279 0.091 9.201 271 HB2 SER 36 1HB SER 36 6.568 1.412 9.260 272 HB3 SER 36 2HB SER 36 5.506 2.816 9.366 273 HG SER 36 HG SER 36 6.047 0.866 11.230 274 H GLN 37 H GLN 37 2.967 1.741 10.566 275 HA GLN 37 HA GLN 37 1.319 3.419 8.802 276 HB2 GLN 37 1HB GLN 37 0.301 1.463 10.870 277 HB3 GLN 37 2HB GLN 37 -0.698 2.640 10.028 278 HG2 GLN 37 1HG GLN 37 0.155 1.525 7.880 279 HG3 GLN 37 2HG GLN 37 0.660 0.207 8.938 280 HE21 GLN 37 1HE2 GLN 37 -1.702 1.132 6.940 281 HE22 GLN 37 2HE2 GLN 37 -3.048 0.300 7.632 282 H LYS 38 H LYS 38 2.613 5.140 9.724 283 HA LYS 38 HA LYS 38 2.989 5.800 12.339 284 HB2 LYS 38 1HB LYS 38 2.412 7.512 9.938 285 HB3 LYS 38 2HB LYS 38 2.670 8.240 11.517 286 HG2 LYS 38 1HG LYS 38 4.856 6.929 11.577 287 HG3 LYS 38 2HG LYS 38 4.596 6.659 9.853 288 HD2 LYS 38 1HD LYS 38 5.887 8.569 9.828 289 HD3 LYS 38 2HD LYS 38 4.259 9.249 9.792 290 HE2 LYS 38 1HE LYS 38 5.473 10.488 11.405 291 HE3 LYS 38 2HE LYS 38 4.398 9.416 12.302 292 HZ1 LYS 38 3HZ LYS 38 7.314 9.353 12.063 293 HZ2 LYS 38 1HZ LYS 38 6.507 7.873 12.216 294 HZ3 LYS 38 2HZ LYS 38 6.333 9.058 13.410 295 H ASP 39 H ASP 39 0.259 7.124 10.459 296 HA ASP 39 HA ASP 39 -1.364 6.996 12.913 297 HB2 ASP 39 1HB ASP 39 -1.469 9.186 10.828 298 HB3 ASP 39 2HB ASP 39 -2.425 9.101 12.305 299 H GLU 40 H GLU 40 -3.671 6.822 12.571 300 HA GLU 40 HA GLU 40 -4.414 4.827 10.811 301 HB2 GLU 40 1HB GLU 40 -5.943 6.888 12.345 302 HB3 GLU 40 2HB GLU 40 -6.796 5.884 11.182 303 HG2 GLU 40 1HG GLU 40 -7.017 4.861 13.306 304 HG3 GLU 40 2HG GLU 40 -5.895 3.881 12.364 305 H HIS 41 H HIS 41 -3.838 8.111 10.149 306 HA HIS 41 HA HIS 41 -5.292 7.945 7.597 307 HB2 HIS 41 1HB HIS 41 -4.143 10.458 8.797 308 HB3 HIS 41 2HB HIS 41 -5.373 10.313 7.546 309 HD1 HIS 41 1HD HIS 41 -7.785 9.680 8.329 310 HD2 HIS 41 2HD HIS 41 -5.075 10.336 11.408 311 HE1 HIS 41 1HE HIS 41 -9.177 9.917 10.410 312 HE2 HIS 41 2HE HIS 41 -7.521 10.398 12.245 313 H CYS 42 H CYS 42 -2.215 9.071 8.990 314 HA CYS 42 HA CYS 42 -0.994 9.122 6.354 315 HB2 CYS 42 1HB CYS 42 0.124 9.779 9.087 316 HB3 CYS 42 2HB CYS 42 1.003 9.965 7.574 317 HG CYS 42 HG CYS 42 -0.283 12.353 8.906 318 H TRP 43 H TRP 43 -0.136 7.360 5.500 319 HA TRP 43 HA TRP 43 0.972 5.315 7.310 320 HB2 TRP 43 1HB TRP 43 -0.310 4.976 4.591 321 HB3 TRP 43 2HB TRP 43 0.483 3.682 5.486 322 HD1 TRP 43 HD TRP 43 -0.989 5.148 8.261 323 HE1 TRP 43 1HE TRP 43 -3.374 4.317 8.751 324 HE3 TRP 43 3HE TRP 43 -2.092 3.112 3.703 325 HZ2 TRP 43 2HZ TRP 43 -5.451 2.975 7.387 326 HZ3 TRP 43 3HZ TRP 43 -4.299 2.074 3.379 327 HH2 TRP 43 HH TRP 43 -5.941 2.007 5.184 328 H VAL 44 H VAL 44 2.849 4.164 6.590 329 HA VAL 44 HA VAL 44 4.489 5.730 4.706 330 HB VAL 44 HB VAL 44 5.355 4.078 7.082 331 HG11 VAL 44 1HG1 VAL 44 7.613 4.586 6.539 332 HG12 VAL 44 2HG1 VAL 44 6.871 3.927 5.081 333 HG13 VAL 44 3HG1 VAL 44 7.125 5.665 5.233 334 HG21 VAL 44 3HG2 VAL 44 5.412 7.039 6.517 335 HG22 VAL 44 1HG2 VAL 44 4.491 6.203 7.768 336 HG23 VAL 44 2HG2 VAL 44 6.249 6.274 7.868 337 H GLY 45 H GLY 45 4.906 4.754 2.843 338 HA2 GLY 45 1HA GLY 45 5.087 1.805 2.822 339 HA3 GLY 45 2HA GLY 45 4.278 2.701 1.545 340 H GLU 46 H GLU 46 5.877 1.349 0.290 341 HA GLU 46 HA GLU 46 8.340 2.917 -0.060 342 HB2 GLU 46 1HB GLU 46 8.544 0.572 1.102 343 HB3 GLU 46 2HB GLU 46 8.362 -0.038 -0.537 344 HG2 GLU 46 1HG GLU 46 10.268 1.732 -1.014 345 HG3 GLU 46 2HG GLU 46 10.601 1.461 0.695 346 H LEU 47 H LEU 47 8.777 3.487 -2.106 347 HA LEU 47 HA LEU 47 7.965 1.981 -4.381 348 HB2 LEU 47 1HB LEU 47 5.804 2.969 -3.742 349 HB3 LEU 47 2HB LEU 47 6.517 4.576 -3.868 350 HG LEU 47 HG LEU 47 6.998 3.868 -6.331 351 HD11 LEU 47 1HD1 LEU 47 5.553 1.608 -5.362 352 HD12 LEU 47 2HD1 LEU 47 6.236 1.887 -6.963 353 HD13 LEU 47 3HD1 LEU 47 4.595 2.419 -6.601 354 HD21 LEU 47 3HD2 LEU 47 5.129 5.428 -5.132 355 HD22 LEU 47 1HD2 LEU 47 4.109 4.288 -6.011 356 HD23 LEU 47 2HD2 LEU 47 5.310 5.246 -6.878 357 H ASN 48 H ASN 48 8.859 2.761 -6.313 358 HA ASN 48 HA ASN 48 10.483 3.749 -7.565 359 HB2 ASN 48 1HB ASN 48 9.668 6.176 -5.949 360 HB3 ASN 48 2HB ASN 48 10.624 6.216 -7.427 361 HD21 ASN 48 1HD2 ASN 48 9.388 4.512 -9.068 362 HD22 ASN 48 2HD2 ASN 48 7.768 5.022 -9.386 363 H GLY 49 H GLY 49 11.171 2.584 -4.906 364 HA2 GLY 49 1HA GLY 49 13.165 2.217 -3.805 365 HA3 GLY 49 2HA GLY 49 13.920 3.379 -4.885 366 H LEU 50 H LEU 50 11.128 4.428 -3.178 367 HA LEU 50 HA LEU 50 12.838 5.874 -1.263 368 HB2 LEU 50 1HB LEU 50 10.248 6.988 -2.259 369 HB3 LEU 50 2HB LEU 50 11.617 7.830 -1.536 370 HG LEU 50 HG LEU 50 11.739 6.575 -4.270 371 HD11 LEU 50 1HD1 LEU 50 10.276 8.902 -3.446 372 HD12 LEU 50 2HD1 LEU 50 10.414 8.174 -5.047 373 HD13 LEU 50 3HD1 LEU 50 11.603 9.362 -4.512 374 HD21 LEU 50 3HD2 LEU 50 13.819 7.201 -2.889 375 HD22 LEU 50 1HD2 LEU 50 13.354 8.870 -3.218 376 HD23 LEU 50 2HD2 LEU 50 13.713 7.775 -4.552 377 H ARG 51 H ARG 51 11.789 6.491 0.748 378 HA ARG 51 HA ARG 51 9.419 4.901 1.427 379 HB2 ARG 51 1HB ARG 51 11.777 3.915 2.114 380 HB3 ARG 51 2HB ARG 51 11.632 5.079 3.423 381 HG2 ARG 51 1HG ARG 51 9.256 3.977 3.691 382 HG3 ARG 51 2HG ARG 51 10.048 2.627 2.876 383 HD2 ARG 51 1HD ARG 51 10.178 2.436 5.320 384 HD3 ARG 51 2HD ARG 51 11.773 2.577 4.580 385 HE ARG 51 HE ARG 51 10.723 5.103 5.410 386 HH11 ARG 51 1HH1 ARG 51 12.360 2.230 6.503 387 HH12 ARG 51 2HH1 ARG 51 13.120 3.017 7.846 388 HH21 ARG 51 1HH2 ARG 51 11.719 6.149 7.176 389 HH22 ARG 51 2HH2 ARG 51 12.755 5.245 8.229 390 H GLY 52 H GLY 52 7.966 6.428 1.906 391 HA2 GLY 52 1HA GLY 52 8.612 8.307 4.048 392 HA3 GLY 52 2HA GLY 52 8.098 8.996 2.516 393 H TRP 53 H TRP 53 6.429 9.878 4.065 394 HA TRP 53 HA TRP 53 4.301 7.949 4.642 395 HB2 TRP 53 1HB TRP 53 3.342 9.653 6.068 396 HB3 TRP 53 2HB TRP 53 5.054 9.487 6.449 397 HD1 TRP 53 HD TRP 53 6.674 11.442 5.192 398 HE1 TRP 53 1HE TRP 53 6.174 13.953 4.926 399 HE3 TRP 53 3HE TRP 53 1.605 11.334 5.848 400 HZ2 TRP 53 2HZ TRP 53 3.929 15.661 4.988 401 HZ3 TRP 53 3HZ TRP 53 0.355 13.450 5.730 402 HH2 TRP 53 HH TRP 53 1.496 15.568 5.309 403 H PHE 54 H PHE 54 2.049 8.624 4.197 404 HA PHE 54 HA PHE 54 1.518 10.635 2.250 405 HB2 PHE 54 1HB PHE 54 0.846 9.159 0.404 406 HB3 PHE 54 2HB PHE 54 2.560 8.985 0.767 407 HD1 PHE 54 1HD PHE 54 -0.752 7.436 1.410 408 HD2 PHE 54 2HD PHE 54 3.463 6.888 1.194 409 HE1 PHE 54 1HE PHE 54 -1.058 5.006 1.658 410 HE2 PHE 54 2HE PHE 54 3.165 4.459 1.439 411 HZ PHE 54 HZ PHE 54 0.902 3.515 1.672 412 HA PRO 55 HA PRO 55 -2.519 10.183 3.916 413 HB2 PRO 55 1HB PRO 55 -4.029 11.139 1.874 414 HB3 PRO 55 2HB PRO 55 -3.028 12.178 2.895 415 HG2 PRO 55 1HG PRO 55 -2.452 11.081 0.170 416 HG3 PRO 55 2HG PRO 55 -2.162 12.711 0.805 417 HD2 PRO 55 1HD PRO 55 -0.200 10.854 0.604 418 HD3 PRO 55 2HD PRO 55 -0.227 12.080 1.887 419 H ALA 56 H ALA 56 -3.567 8.326 4.200 420 HA ALA 56 HA ALA 56 -3.644 6.249 2.278 421 HB1 ALA 56 3HB ALA 56 -4.682 4.971 3.890 422 HB2 ALA 56 1HB ALA 56 -3.830 6.162 4.874 423 HB3 ALA 56 2HB ALA 56 -5.558 6.345 4.567 424 H LYS 57 H LYS 57 -5.780 8.889 3.025 425 HA LYS 57 HA LYS 57 -8.143 7.895 1.856 426 HB2 LYS 57 1HB LYS 57 -8.835 10.268 1.740 427 HB3 LYS 57 2HB LYS 57 -8.190 9.828 3.316 428 HG2 LYS 57 1HG LYS 57 -5.951 10.743 2.320 429 HG3 LYS 57 2HG LYS 57 -7.034 11.597 1.220 430 HD2 LYS 57 1HD LYS 57 -8.277 12.258 3.421 431 HD3 LYS 57 2HD LYS 57 -6.734 11.866 4.182 432 HE2 LYS 57 1HE LYS 57 -6.515 14.129 3.751 433 HE3 LYS 57 2HE LYS 57 -5.725 13.400 2.354 434 HZ1 LYS 57 3HZ LYS 57 -8.331 13.611 1.597 435 HZ2 LYS 57 1HZ LYS 57 -7.082 14.659 1.145 436 HZ3 LYS 57 2HZ LYS 57 -8.067 15.038 2.465 437 H PHE 58 H PHE 58 -5.207 8.642 0.446 438 HA PHE 58 HA PHE 58 -6.344 9.475 -2.108 439 HB2 PHE 58 1HB PHE 58 -3.583 9.371 -0.961 440 HB3 PHE 58 2HB PHE 58 -3.782 9.381 -2.710 441 HD1 PHE 58 2HD PHE 58 -5.206 11.197 0.228 442 HD2 PHE 58 1HD PHE 58 -3.595 11.430 -3.705 443 HE1 PHE 58 2HE PHE 58 -5.449 13.645 0.276 444 HE2 PHE 58 1HE PHE 58 -3.833 13.877 -3.662 445 HZ PHE 58 HZ PHE 58 -4.763 14.989 -1.670 446 H VAL 59 H VAL 59 -5.114 6.670 -0.526 447 HA VAL 59 HA VAL 59 -5.265 5.179 -3.066 448 HB VAL 59 HB VAL 59 -3.591 3.669 -2.323 449 HG11 VAL 59 1HG1 VAL 59 -2.366 5.367 -3.212 450 HG12 VAL 59 2HG1 VAL 59 -3.000 6.564 -2.080 451 HG13 VAL 59 3HG1 VAL 59 -1.749 5.433 -1.561 452 HG21 VAL 59 3HG2 VAL 59 -2.700 4.759 0.143 453 HG22 VAL 59 1HG2 VAL 59 -4.435 4.468 0.266 454 HG23 VAL 59 2HG2 VAL 59 -3.349 3.152 -0.178 455 H GLU 60 H GLU 60 -5.630 2.747 -2.601 456 HA GLU 60 HA GLU 60 -7.624 2.444 -0.456 457 HB2 GLU 60 1HB GLU 60 -8.555 2.702 -2.842 458 HB3 GLU 60 2HB GLU 60 -7.898 1.098 -3.134 459 HG2 GLU 60 1HG GLU 60 -10.150 0.769 -2.584 460 HG3 GLU 60 2HG GLU 60 -9.242 0.325 -1.139 461 H VAL 61 H VAL 61 -7.373 0.706 0.802 462 HA VAL 61 HA VAL 61 -5.084 -0.948 0.537 463 HB VAL 61 HB VAL 61 -7.487 -1.377 2.316 464 HG11 VAL 61 1HG1 VAL 61 -6.090 -3.356 2.113 465 HG12 VAL 61 2HG1 VAL 61 -4.658 -2.407 2.513 466 HG13 VAL 61 3HG1 VAL 61 -5.924 -2.646 3.718 467 HG21 VAL 61 3HG2 VAL 61 -6.436 0.857 2.579 468 HG22 VAL 61 1HG2 VAL 61 -6.298 -0.156 4.016 469 HG23 VAL 61 2HG2 VAL 61 -4.909 0.056 2.950 470 H LEU 62 H LEU 62 -4.959 -3.193 0.170 471 HA LEU 62 HA LEU 62 -7.270 -4.348 -1.246 472 HB2 LEU 62 1HB LEU 62 -4.517 -5.187 -1.976 473 HB3 LEU 62 2HB LEU 62 -5.975 -5.116 -2.964 474 HG LEU 62 HG LEU 62 -4.683 -2.574 -2.076 475 HD11 LEU 62 1HD1 LEU 62 -3.606 -2.923 -4.528 476 HD12 LEU 62 2HD1 LEU 62 -3.531 -4.569 -3.903 477 HD13 LEU 62 3HD1 LEU 62 -2.758 -3.254 -3.018 478 HD21 LEU 62 3HD2 LEU 62 -6.514 -1.946 -3.227 479 HD22 LEU 62 1HD2 LEU 62 -6.634 -3.483 -4.085 480 HD23 LEU 62 2HD2 LEU 62 -5.493 -2.254 -4.632 481 H ASP 63 H ASP 63 -8.034 -6.070 -0.235 482 HA ASP 63 HA ASP 63 -6.307 -7.540 1.611 483 HB2 ASP 63 1HB ASP 63 -9.301 -7.528 1.211 484 HB3 ASP 63 2HB ASP 63 -8.474 -8.612 2.328 485 H GLU 64 H GLU 64 -5.088 -8.656 0.010 486 HA GLU 64 HA GLU 64 -6.323 -10.322 -1.942 487 HB2 GLU 64 1HB GLU 64 -3.523 -10.090 -0.869 488 HB3 GLU 64 2HB GLU 64 -3.958 -11.352 -2.012 489 HG2 GLU 64 1HG GLU 64 -4.910 -9.328 -3.386 490 HG3 GLU 64 2HG GLU 64 -3.758 -8.415 -2.412 491 H ARG 65 H ARG 65 -7.833 -11.557 -0.743 492 HA ARG 65 HA ARG 65 -6.623 -13.674 0.912 493 HB2 ARG 65 1HB ARG 65 -8.767 -13.867 2.065 494 HB3 ARG 65 2HB ARG 65 -8.143 -12.228 2.182 495 HG2 ARG 65 1HG ARG 65 -9.641 -11.669 0.215 496 HG3 ARG 65 2HG ARG 65 -10.398 -13.239 0.481 497 HD2 ARG 65 1HD ARG 65 -11.248 -12.620 2.553 498 HD3 ARG 65 2HD ARG 65 -10.089 -11.303 2.741 499 HE ARG 65 HE ARG 65 -11.899 -10.929 0.544 500 HH11 ARG 65 1HH1 ARG 65 -11.445 -10.520 3.972 501 HH12 ARG 65 2HH1 ARG 65 -12.590 -9.224 4.101 502 HH21 ARG 65 1HH2 ARG 65 -13.407 -9.225 0.700 503 HH22 ARG 65 2HH2 ARG 65 -13.706 -8.489 2.240 504 H SER 66 H SER 66 -6.811 -15.709 0.228 505 HA SER 66 HA SER 66 -8.853 -16.336 -1.795 506 HB2 SER 66 1HB SER 66 -6.689 -16.060 -2.930 507 HB3 SER 66 2HB SER 66 -5.966 -17.249 -1.846 508 HG SER 66 HG SER 66 -6.881 -17.873 -4.069 509 H LYS 67 H LYS 67 -10.092 -17.987 -1.224 510 HA LYS 67 HA LYS 67 -8.991 -20.237 0.244 511 HB2 LYS 67 1HB LYS 67 -10.483 -20.130 2.091 512 HB3 LYS 67 2HB LYS 67 -9.751 -18.535 1.952 513 HG2 LYS 67 1HG LYS 67 -11.760 -17.718 0.816 514 HG3 LYS 67 2HG LYS 67 -12.494 -19.315 0.981 515 HD2 LYS 67 1HD LYS 67 -13.337 -17.923 2.738 516 HD3 LYS 67 2HD LYS 67 -12.234 -19.098 3.454 517 HE2 LYS 67 1HE LYS 67 -11.255 -16.392 2.627 518 HE3 LYS 67 2HE LYS 67 -12.082 -16.612 4.168 519 HZ1 LYS 67 3HZ LYS 67 -9.411 -17.094 3.596 520 HZ2 LYS 67 1HZ LYS 67 -10.119 -18.610 3.852 521 HZ3 LYS 67 2HZ LYS 67 -10.229 -17.412 5.043 522 H GLU 68 H GLU 68 -11.020 -21.773 0.770 523 HA GLU 68 HA GLU 68 -12.598 -21.903 -1.716 524 HB2 GLU 68 1HB GLU 68 -10.926 -23.687 -1.605 525 HB3 GLU 68 2HB GLU 68 -11.543 -24.184 -0.035 526 HG2 GLU 68 1HG GLU 68 -13.566 -24.962 -0.965 527 HG3 GLU 68 2HG GLU 68 -13.242 -24.177 -2.509 528 H TYR 69 H TYR 69 -14.740 -22.664 -1.578 529 HA TYR 69 HA TYR 69 -15.976 -22.147 1.015 530 HB2 TYR 69 1HB TYR 69 -17.011 -22.286 -1.803 531 HB3 TYR 69 2HB TYR 69 -18.116 -22.353 -0.434 532 HD1 TYR 69 2HD TYR 69 -15.024 -20.326 -0.929 533 HD2 TYR 69 1HD TYR 69 -19.250 -20.325 -0.435 534 HE1 TYR 69 2HE TYR 69 -15.002 -17.870 -0.800 535 HE2 TYR 69 1HE TYR 69 -19.240 -17.868 -0.305 536 HH TYR 69 HH TYR 69 -17.151 -16.074 0.447 537 H SER 70 H SER 70 -17.018 -23.644 2.209 538 HA SER 70 HA SER 70 -16.420 -26.301 2.127 539 HB2 SER 70 1HB SER 70 -17.762 -24.867 3.882 540 HB3 SER 70 2HB SER 70 -19.165 -25.524 3.038 541 HG SER 70 HG SER 70 -18.786 -27.050 4.503 542 H ILE 71 H ILE 71 -17.868 -28.184 1.721 543 HA ILE 71 HA ILE 71 -18.478 -28.505 -0.927 544 HB ILE 71 HB ILE 71 -19.855 -29.888 1.380 545 HG12 ILE 71 1HG1 ILE 71 -17.457 -30.142 1.550 546 HG13 ILE 71 2HG1 ILE 71 -18.143 -31.657 0.971 547 HG21 ILE 71 1HG2 ILE 71 -20.474 -31.600 -0.128 548 HG22 ILE 71 2HG2 ILE 71 -20.938 -30.080 -0.891 549 HG23 ILE 71 3HG2 ILE 71 -19.481 -30.922 -1.419 550 HD11 ILE 71 3HD1 ILE 71 -16.642 -31.589 -0.651 551 HD12 ILE 71 1HD1 ILE 71 -17.546 -30.238 -1.334 552 HD13 ILE 71 2HD1 ILE 71 -16.187 -29.933 -0.252 553 H ALA 72 H ALA 72 -19.633 -26.865 -1.876 554 HA ALA 72 HA ALA 72 -22.347 -26.352 -0.879 555 HB1 ALA 72 3HB ALA 72 -22.043 -24.225 -1.449 556 HB2 ALA 72 1HB ALA 72 -20.354 -24.625 -1.770 557 HB3 ALA 72 2HB ALA 72 -21.535 -24.667 -3.080 558 H SER 73 H SER 73 -24.070 -26.094 -2.498 559 HA SER 73 HA SER 73 -24.605 -28.307 -3.959 560 HB2 SER 73 1HB SER 73 -26.325 -26.670 -3.616 561 HB3 SER 73 2HB SER 73 -25.437 -25.459 -4.540 562 HG SER 73 HG SER 73 -27.029 -27.536 -5.411 563 H GLY 74 H GLY 74 -22.970 -25.397 -5.179 564 HA2 GLY 74 1HA GLY 74 -21.113 -26.539 -6.786 565 HA3 GLY 74 2HA GLY 74 -22.556 -26.573 -7.786 566 HA PRO 75 HA PRO 75 -21.308 -21.939 -6.957 567 HB2 PRO 75 1HB PRO 75 -18.686 -21.591 -6.346 568 HB3 PRO 75 2HB PRO 75 -19.940 -21.791 -5.117 569 HG2 PRO 75 1HG PRO 75 -18.023 -23.812 -6.215 570 HG3 PRO 75 2HG PRO 75 -18.518 -23.537 -4.534 571 HD2 PRO 75 1HD PRO 75 -19.550 -25.530 -6.049 572 HD3 PRO 75 2HD PRO 75 -20.490 -24.701 -4.792 573 H SER 76 H SER 76 -21.499 -21.583 -9.115 574 HA SER 76 HA SER 76 -19.049 -21.857 -10.724 575 HB2 SER 76 1HB SER 76 -21.882 -22.502 -11.568 576 HB3 SER 76 2HB SER 76 -20.529 -22.361 -12.691 577 HG SER 76 HG SER 76 -20.294 -24.064 -10.476 578 H SER 77 H SER 77 -19.178 -20.482 -12.756 579 HA SER 77 HA SER 77 -20.453 -17.907 -12.096 580 HB2 SER 77 1HB SER 77 -18.000 -17.806 -11.969 581 HB3 SER 77 2HB SER 77 -17.885 -18.399 -13.625 582 HG SER 77 HG SER 77 -17.845 -16.298 -13.979 583 H GLY 78 H GLY 78 -21.741 -16.967 -13.578 584 HA2 GLY 78 1HA GLY 78 -22.440 -18.503 -15.927 585 HA3 GLY 78 2HA GLY 78 -23.224 -17.033 -15.366 Start of MODEL 11 1 H1 GLY 1 H GLY 1 8.859 -20.787 7.152 2 HA2 GLY 1 1HA GLY 1 10.352 -19.644 8.870 3 HA3 GLY 1 2HA GLY 1 9.302 -18.565 7.965 4 H SER 2 H SER 2 10.359 -19.270 10.974 5 HA SER 2 HA SER 2 8.152 -19.278 12.641 6 HB2 SER 2 1HB SER 2 10.879 -18.029 13.023 7 HB3 SER 2 2HB SER 2 9.678 -18.131 14.309 8 HG SER 2 HG SER 2 11.370 -19.909 13.941 9 H SER 3 H SER 3 9.972 -16.428 11.513 10 HA SER 3 HA SER 3 8.344 -14.486 12.679 11 HB2 SER 3 1HB SER 3 10.224 -14.499 10.347 12 HB3 SER 3 2HB SER 3 9.219 -13.079 10.635 13 HG SER 3 HG SER 3 10.213 -12.746 12.545 14 H GLY 4 H GLY 4 6.825 -13.010 11.643 15 HA2 GLY 4 1HA GLY 4 5.505 -13.901 9.223 16 HA3 GLY 4 2HA GLY 4 4.554 -14.097 10.687 17 H SER 5 H SER 5 6.736 -11.527 9.540 18 HA SER 5 HA SER 5 5.404 -9.386 10.626 19 HB2 SER 5 1HB SER 5 6.513 -7.989 8.957 20 HB3 SER 5 2HB SER 5 7.616 -9.245 9.522 21 HG SER 5 HG SER 5 7.334 -8.806 7.123 22 H SER 6 H SER 6 4.252 -7.620 9.345 23 HA SER 6 HA SER 6 2.118 -8.877 7.754 24 HB2 SER 6 1HB SER 6 2.036 -6.388 9.474 25 HB3 SER 6 2HB SER 6 0.694 -6.979 8.494 26 HG SER 6 HG SER 6 1.898 -8.209 10.740 27 H GLY 7 H GLY 7 2.183 -8.443 5.656 28 HA2 GLY 7 1HA GLY 7 3.256 -5.822 4.810 29 HA3 GLY 7 2HA GLY 7 3.552 -7.307 3.917 30 H ARG 8 H ARG 8 1.912 -4.565 3.712 31 HA ARG 8 HA ARG 8 -0.314 -5.825 2.254 32 HB2 ARG 8 1HB ARG 8 -0.365 -3.541 4.194 33 HB3 ARG 8 2HB ARG 8 -1.540 -3.599 2.886 34 HG2 ARG 8 1HG ARG 8 -2.218 -5.856 3.673 35 HG3 ARG 8 2HG ARG 8 -1.135 -5.647 5.053 36 HD2 ARG 8 1HD ARG 8 -2.396 -3.629 5.699 37 HD3 ARG 8 2HD ARG 8 -3.498 -3.907 4.351 38 HE ARG 8 HE ARG 8 -3.488 -5.255 6.878 39 HH11 ARG 8 1HH1 ARG 8 -4.324 -5.538 3.511 40 HH12 ARG 8 2HH1 ARG 8 -5.547 -6.737 3.781 41 HH21 ARG 8 1HH2 ARG 8 -5.095 -6.831 7.247 42 HH22 ARG 8 2HH2 ARG 8 -5.985 -7.470 5.906 43 H ARG 9 H ARG 9 -1.364 -4.122 0.739 44 HA ARG 9 HA ARG 9 0.592 -2.263 -0.373 45 HB2 ARG 9 1HB ARG 9 -0.704 -4.460 -1.999 46 HB3 ARG 9 2HB ARG 9 0.269 -3.149 -2.654 47 HG2 ARG 9 1HG ARG 9 2.181 -3.974 -1.294 48 HG3 ARG 9 2HG ARG 9 1.189 -5.357 -0.830 49 HD2 ARG 9 1HD ARG 9 0.883 -5.589 -3.431 50 HD3 ARG 9 2HD ARG 9 2.388 -4.671 -3.470 51 HE ARG 9 HE ARG 9 2.803 -6.731 -1.686 52 HH11 ARG 9 1HH1 ARG 9 1.975 -6.423 -5.054 53 HH12 ARG 9 2HH1 ARG 9 2.737 -7.910 -5.512 54 HH21 ARG 9 1HH2 ARG 9 3.809 -8.690 -2.275 55 HH22 ARG 9 2HH2 ARG 9 3.779 -9.201 -3.931 56 H ALA 10 H ALA 10 -0.338 -0.424 -1.015 57 HA ALA 10 HA ALA 10 -3.273 -0.383 -1.255 58 HB1 ALA 10 3HB ALA 10 -1.833 2.167 -0.915 59 HB2 ALA 10 1HB ALA 10 -3.333 1.600 -0.180 60 HB3 ALA 10 2HB ALA 10 -1.779 1.058 0.456 61 H LYS 11 H LYS 11 -4.250 0.544 -3.011 62 HA LYS 11 HA LYS 11 -2.504 1.063 -5.306 63 HB2 LYS 11 1HB LYS 11 -4.196 -0.638 -5.661 64 HB3 LYS 11 2HB LYS 11 -5.463 0.467 -5.143 65 HG2 LYS 11 1HG LYS 11 -4.701 1.939 -7.102 66 HG3 LYS 11 2HG LYS 11 -3.869 0.492 -7.677 67 HD2 LYS 11 1HD LYS 11 -5.964 0.459 -8.743 68 HD3 LYS 11 2HD LYS 11 -6.107 -0.700 -7.420 69 HE2 LYS 11 1HE LYS 11 -7.127 1.146 -6.054 70 HE3 LYS 11 2HE LYS 11 -7.165 2.119 -7.523 71 HZ1 LYS 11 3HZ LYS 11 -8.625 -0.400 -6.975 72 HZ2 LYS 11 1HZ LYS 11 -8.475 0.246 -8.533 73 HZ3 LYS 11 2HZ LYS 11 -9.271 1.124 -7.327 74 H ALA 12 H ALA 12 -2.208 3.056 -6.052 75 HA ALA 12 HA ALA 12 -3.386 5.310 -4.793 76 HB1 ALA 12 3HB ALA 12 -2.284 6.272 -7.122 77 HB2 ALA 12 1HB ALA 12 -1.448 6.083 -5.580 78 HB3 ALA 12 2HB ALA 12 -1.341 4.816 -6.803 79 H LEU 13 H LEU 13 -5.327 6.146 -5.144 80 HA LEU 13 HA LEU 13 -6.921 5.330 -7.392 81 HB2 LEU 13 1HB LEU 13 -7.489 7.371 -5.249 82 HB3 LEU 13 2HB LEU 13 -8.660 6.724 -6.393 83 HG LEU 13 HG LEU 13 -7.214 4.956 -4.442 84 HD11 LEU 13 1HD1 LEU 13 -9.611 5.211 -3.297 85 HD12 LEU 13 2HD1 LEU 13 -9.449 6.834 -3.966 86 HD13 LEU 13 3HD1 LEU 13 -8.228 6.213 -2.854 87 HD21 LEU 13 3HD2 LEU 13 -8.261 3.726 -6.165 88 HD22 LEU 13 1HD2 LEU 13 -9.711 4.730 -6.104 89 HD23 LEU 13 2HD2 LEU 13 -9.344 3.630 -4.774 90 H LEU 14 H LEU 14 -4.702 7.816 -6.807 91 HA LEU 14 HA LEU 14 -5.267 9.018 -9.365 92 HB2 LEU 14 1HB LEU 14 -5.349 11.332 -8.370 93 HB3 LEU 14 2HB LEU 14 -6.790 10.339 -8.157 94 HG LEU 14 HG LEU 14 -4.749 10.458 -5.977 95 HD11 LEU 14 1HD1 LEU 14 -5.193 12.556 -5.365 96 HD12 LEU 14 2HD1 LEU 14 -6.916 12.377 -5.687 97 HD13 LEU 14 3HD1 LEU 14 -5.812 12.780 -7.001 98 HD21 LEU 14 3HD2 LEU 14 -6.319 9.005 -5.266 99 HD22 LEU 14 1HD2 LEU 14 -7.560 9.651 -6.338 100 HD23 LEU 14 2HD2 LEU 14 -7.183 10.479 -4.826 101 H ASP 15 H ASP 15 -3.713 11.073 -9.550 102 HA ASP 15 HA ASP 15 -1.066 10.030 -8.991 103 HB2 ASP 15 1HB ASP 15 -2.022 12.418 -10.579 104 HB3 ASP 15 2HB ASP 15 -0.323 11.998 -10.377 105 H PHE 16 H PHE 16 -0.403 10.369 -6.954 106 HA PHE 16 HA PHE 16 -0.978 12.878 -5.608 107 HB2 PHE 16 1HB PHE 16 -1.155 10.714 -4.398 108 HB3 PHE 16 2HB PHE 16 0.578 10.482 -4.614 109 HD1 PHE 16 1HD PHE 16 -1.506 13.398 -3.574 110 HD2 PHE 16 2HD PHE 16 1.668 10.729 -2.614 111 HE1 PHE 16 1HE PHE 16 -1.086 14.649 -1.497 112 HE2 PHE 16 2HE PHE 16 2.092 11.975 -0.536 113 HZ PHE 16 HZ PHE 16 0.714 13.937 0.026 114 H GLU 17 H GLU 17 0.356 14.558 -5.570 115 HA GLU 17 HA GLU 17 3.103 14.183 -6.532 116 HB2 GLU 17 1HB GLU 17 1.163 16.438 -6.597 117 HB3 GLU 17 2HB GLU 17 2.870 16.842 -6.494 118 HG2 GLU 17 1HG GLU 17 2.003 14.879 -8.549 119 HG3 GLU 17 2HG GLU 17 1.650 16.586 -8.808 120 H ARG 18 H ARG 18 4.324 13.653 -4.799 121 HA ARG 18 HA ARG 18 3.996 14.470 -2.171 122 HB2 ARG 18 1HB ARG 18 6.093 13.552 -1.740 123 HB3 ARG 18 2HB ARG 18 5.584 12.696 -3.190 124 HG2 ARG 18 1HG ARG 18 6.884 14.602 -4.417 125 HG3 ARG 18 2HG ARG 18 7.689 14.775 -2.855 126 HD2 ARG 18 1HD ARG 18 8.569 12.615 -2.936 127 HD3 ARG 18 2HD ARG 18 7.419 12.096 -4.168 128 HE ARG 18 HE ARG 18 8.854 12.870 -5.768 129 HH11 ARG 18 1HH1 ARG 18 9.701 14.301 -2.708 130 HH12 ARG 18 2HH1 ARG 18 11.143 15.050 -3.310 131 HH21 ARG 18 1HH2 ARG 18 10.750 13.851 -6.572 132 HH22 ARG 18 2HH2 ARG 18 11.738 14.793 -5.508 133 H HIS 19 H HIS 19 4.327 16.312 -1.105 134 HA HIS 19 HA HIS 19 5.241 18.640 -2.532 135 HB2 HIS 19 1HB HIS 19 3.382 18.406 -0.670 136 HB3 HIS 19 2HB HIS 19 4.744 18.665 0.416 137 HD1 HIS 19 1HD HIS 19 4.919 21.032 1.063 138 HD2 HIS 19 2HD HIS 19 3.529 20.609 -2.828 139 HE1 HIS 19 1HE HIS 19 4.566 23.373 0.218 140 HE2 HIS 19 2HE HIS 19 3.644 23.091 -2.109 141 H ASP 20 H ASP 20 6.377 16.722 0.226 142 HA ASP 20 HA ASP 20 9.012 18.009 -0.079 143 HB2 ASP 20 1HB ASP 20 7.561 18.362 2.103 144 HB3 ASP 20 2HB ASP 20 8.202 16.775 2.519 145 H ASP 21 H ASP 21 10.858 16.665 0.482 146 HA ASP 21 HA ASP 21 10.999 14.285 -0.854 147 HB2 ASP 21 1HB ASP 21 12.597 14.875 1.643 148 HB3 ASP 21 2HB ASP 21 13.073 13.860 0.284 149 H ASP 22 H ASP 22 10.193 14.767 2.558 150 HA ASP 22 HA ASP 22 10.132 12.114 3.385 151 HB2 ASP 22 1HB ASP 22 8.272 14.318 4.296 152 HB3 ASP 22 2HB ASP 22 8.676 12.854 5.185 153 H GLU 23 H GLU 23 7.535 14.070 1.952 154 HA GLU 23 HA GLU 23 5.529 12.113 2.064 155 HB2 GLU 23 1HB GLU 23 5.963 14.615 0.509 156 HB3 GLU 23 2HB GLU 23 4.723 13.507 -0.060 157 HG2 GLU 23 1HG GLU 23 4.821 14.472 2.777 158 HG3 GLU 23 2HG GLU 23 3.996 15.366 1.503 159 H LEU 24 H LEU 24 4.939 10.470 0.738 160 HA LEU 24 HA LEU 24 6.879 9.681 -1.298 161 HB2 LEU 24 1HB LEU 24 6.169 8.093 0.483 162 HB3 LEU 24 2HB LEU 24 4.542 8.131 -0.193 163 HG LEU 24 HG LEU 24 5.451 7.189 -2.303 164 HD11 LEU 24 1HD1 LEU 24 7.703 7.788 -2.343 165 HD12 LEU 24 2HD1 LEU 24 7.734 6.057 -2.009 166 HD13 LEU 24 3HD1 LEU 24 7.985 7.213 -0.700 167 HD21 LEU 24 3HD2 LEU 24 5.556 4.955 -1.520 168 HD22 LEU 24 1HD2 LEU 24 4.474 5.819 -0.427 169 HD23 LEU 24 2HD2 LEU 24 6.129 5.465 0.070 170 H GLY 25 H GLY 25 6.483 10.558 -3.237 171 HA2 GLY 25 1HA GLY 25 3.787 11.101 -4.129 172 HA3 GLY 25 2HA GLY 25 5.268 11.418 -5.020 173 H PHE 26 H PHE 26 2.643 10.089 -5.717 174 HA PHE 26 HA PHE 26 3.828 7.890 -7.193 175 HB2 PHE 26 1HB PHE 26 1.822 6.419 -6.486 176 HB3 PHE 26 2HB PHE 26 3.171 6.581 -5.365 177 HD1 PHE 26 1HD PHE 26 -0.215 7.884 -6.126 178 HD2 PHE 26 2HD PHE 26 2.834 7.376 -3.199 179 HE1 PHE 26 1HE PHE 26 -1.765 8.660 -4.380 180 HE2 PHE 26 2HE PHE 26 1.288 8.149 -1.448 181 HZ PHE 26 HZ PHE 26 -1.016 8.791 -2.038 182 H ARG 27 H ARG 27 2.351 7.029 -8.850 183 HA ARG 27 HA ARG 27 0.644 9.176 -9.874 184 HB2 ARG 27 1HB ARG 27 1.963 6.796 -11.168 185 HB3 ARG 27 2HB ARG 27 0.725 7.734 -11.992 186 HG2 ARG 27 1HG ARG 27 3.088 8.350 -12.539 187 HG3 ARG 27 2HG ARG 27 2.071 9.683 -11.987 188 HD2 ARG 27 1HD ARG 27 3.113 9.779 -9.907 189 HD3 ARG 27 2HD ARG 27 3.764 8.147 -10.054 190 HE ARG 27 HE ARG 27 5.016 10.541 -10.893 191 HH11 ARG 27 1HH1 ARG 27 4.559 7.217 -11.820 192 HH12 ARG 27 2HH1 ARG 27 6.045 7.122 -12.705 193 HH21 ARG 27 1HH2 ARG 27 6.976 10.429 -12.054 194 HH22 ARG 27 2HH2 ARG 27 7.420 8.950 -12.836 195 H LYS 28 H LYS 28 -1.137 8.053 -11.441 196 HA LYS 28 HA LYS 28 -3.042 6.937 -9.642 197 HB2 LYS 28 1HB LYS 28 -3.702 8.410 -11.488 198 HB3 LYS 28 2HB LYS 28 -3.135 7.219 -12.652 199 HG2 LYS 28 1HG LYS 28 -4.841 5.667 -11.972 200 HG3 LYS 28 2HG LYS 28 -5.353 6.745 -10.671 201 HD2 LYS 28 1HD LYS 28 -5.928 8.449 -12.385 202 HD3 LYS 28 2HD LYS 28 -5.538 7.267 -13.637 203 HE2 LYS 28 1HE LYS 28 -7.258 5.759 -12.666 204 HE3 LYS 28 2HE LYS 28 -7.695 7.044 -11.540 205 HZ1 LYS 28 3HZ LYS 28 -9.177 7.503 -13.158 206 HZ2 LYS 28 1HZ LYS 28 -8.246 6.805 -14.388 207 HZ3 LYS 28 2HZ LYS 28 -7.878 8.357 -13.825 208 H ASN 29 H ASN 29 -3.871 4.879 -9.513 209 HA ASN 29 HA ASN 29 -3.811 2.604 -9.519 210 HB2 ASN 29 1HB ASN 29 -3.029 3.110 -12.397 211 HB3 ASN 29 2HB ASN 29 -3.464 1.530 -11.754 212 HD21 ASN 29 1HD2 ASN 29 -4.723 3.172 -13.833 213 HD22 ASN 29 2HD2 ASN 29 -6.364 3.381 -13.335 214 H ASP 30 H ASP 30 -1.518 3.838 -8.501 215 HA ASP 30 HA ASP 30 0.667 2.112 -9.450 216 HB2 ASP 30 1HB ASP 30 0.640 4.755 -8.012 217 HB3 ASP 30 2HB ASP 30 2.072 3.728 -8.004 218 H ILE 31 H ILE 31 1.226 0.428 -8.249 219 HA ILE 31 HA ILE 31 0.016 -0.019 -5.686 220 HB ILE 31 HB ILE 31 2.169 -1.651 -7.033 221 HG12 ILE 31 1HG1 ILE 31 0.183 -1.376 -8.477 222 HG13 ILE 31 2HG1 ILE 31 0.367 -3.035 -7.918 223 HG21 ILE 31 1HG2 ILE 31 0.609 -3.355 -5.577 224 HG22 ILE 31 2HG2 ILE 31 2.151 -2.684 -5.048 225 HG23 ILE 31 3HG2 ILE 31 0.640 -1.918 -4.556 226 HD11 ILE 31 3HD1 ILE 31 -1.877 -1.344 -7.695 227 HD12 ILE 31 1HD1 ILE 31 -1.685 -2.996 -7.110 228 HD13 ILE 31 2HD1 ILE 31 -1.271 -1.636 -6.066 229 H ILE 32 H ILE 32 0.882 0.195 -3.701 230 HA ILE 32 HA ILE 32 3.745 0.813 -3.476 231 HB ILE 32 HB ILE 32 1.573 2.334 -2.029 232 HG12 ILE 32 1HG1 ILE 32 3.459 3.566 -4.001 233 HG13 ILE 32 2HG1 ILE 32 2.036 2.715 -4.594 234 HG21 ILE 32 1HG2 ILE 32 4.512 2.960 -2.125 235 HG22 ILE 32 2HG2 ILE 32 3.282 3.633 -1.056 236 HG23 ILE 32 3HG2 ILE 32 3.794 1.956 -0.865 237 HD11 ILE 32 3HD1 ILE 32 0.629 4.326 -3.909 238 HD12 ILE 32 1HD1 ILE 32 1.557 4.673 -2.451 239 HD13 ILE 32 2HD1 ILE 32 2.076 5.328 -4.004 240 H THR 33 H THR 33 4.734 -0.332 -1.946 241 HA THR 33 HA THR 33 3.263 -2.185 -0.339 242 HB THR 33 HB THR 33 6.206 -1.490 -0.332 243 HG1 THR 33 1HG THR 33 5.376 -2.494 -2.261 244 HG21 THR 33 3HG2 THR 33 4.608 -3.167 1.433 245 HG22 THR 33 1HG2 THR 33 6.272 -2.612 1.606 246 HG23 THR 33 2HG2 THR 33 5.917 -4.054 0.655 247 H ILE 34 H ILE 34 2.770 -2.117 1.792 248 HA ILE 34 HA ILE 34 3.197 0.437 3.157 249 HB ILE 34 HB ILE 34 1.390 -1.869 3.895 250 HG12 ILE 34 1HG1 ILE 34 0.805 0.807 2.610 251 HG13 ILE 34 2HG1 ILE 34 0.649 -0.774 1.854 252 HG21 ILE 34 1HG2 ILE 34 0.511 0.447 5.150 253 HG22 ILE 34 2HG2 ILE 34 1.329 -0.920 5.907 254 HG23 ILE 34 3HG2 ILE 34 2.261 0.469 5.354 255 HD11 ILE 34 3HD1 ILE 34 -0.902 -0.794 4.218 256 HD12 ILE 34 1HD1 ILE 34 -1.275 0.683 3.331 257 HD13 ILE 34 2HD1 ILE 34 -1.443 -0.884 2.542 258 H ILE 35 H ILE 35 4.940 0.570 4.399 259 HA ILE 35 HA ILE 35 6.108 -1.809 5.586 260 HB ILE 35 HB ILE 35 7.043 1.051 5.821 261 HG12 ILE 35 1HG1 ILE 35 6.901 0.199 3.459 262 HG13 ILE 35 2HG1 ILE 35 8.525 0.635 3.981 263 HG21 ILE 35 1HG2 ILE 35 8.346 0.115 7.388 264 HG22 ILE 35 2HG2 ILE 35 8.010 -1.522 6.828 265 HG23 ILE 35 3HG2 ILE 35 9.239 -0.548 6.020 266 HD11 ILE 35 3HD1 ILE 35 8.619 -1.934 4.593 267 HD12 ILE 35 1HD1 ILE 35 7.384 -2.019 3.338 268 HD13 ILE 35 2HD1 ILE 35 8.971 -1.341 2.969 269 H SER 36 H SER 36 5.337 1.427 6.880 270 HA SER 36 HA SER 36 4.332 0.120 9.317 271 HB2 SER 36 1HB SER 36 6.728 1.255 9.379 272 HB3 SER 36 2HB SER 36 5.773 2.727 9.560 273 HG SER 36 HG SER 36 5.806 0.445 11.235 274 H GLN 37 H GLN 37 2.965 1.580 10.649 275 HA GLN 37 HA GLN 37 1.481 3.466 8.940 276 HB2 GLN 37 1HB GLN 37 0.345 1.808 11.195 277 HB3 GLN 37 2HB GLN 37 -0.551 2.838 10.086 278 HG2 GLN 37 1HG GLN 37 1.015 0.413 9.240 279 HG3 GLN 37 2HG GLN 37 -0.709 0.404 9.606 280 HE21 GLN 37 1HE2 GLN 37 -2.056 0.764 7.991 281 HE22 GLN 37 2HE2 GLN 37 -1.645 1.464 6.465 282 H LYS 38 H LYS 38 2.889 5.146 9.728 283 HA LYS 38 HA LYS 38 3.395 5.844 12.337 284 HB2 LYS 38 1HB LYS 38 3.026 7.457 9.839 285 HB3 LYS 38 2HB LYS 38 3.255 8.279 11.377 286 HG2 LYS 38 1HG LYS 38 5.150 6.196 10.326 287 HG3 LYS 38 2HG LYS 38 5.329 7.924 10.013 288 HD2 LYS 38 1HD LYS 38 4.986 7.009 12.826 289 HD3 LYS 38 2HD LYS 38 6.549 6.765 12.044 290 HE2 LYS 38 1HE LYS 38 6.733 9.123 11.581 291 HE3 LYS 38 2HE LYS 38 5.108 9.410 12.202 292 HZ1 LYS 38 3HZ LYS 38 6.744 10.013 13.844 293 HZ2 LYS 38 1HZ LYS 38 7.446 8.475 13.776 294 HZ3 LYS 38 2HZ LYS 38 5.880 8.663 14.388 295 H ASP 39 H ASP 39 0.625 6.928 10.372 296 HA ASP 39 HA ASP 39 -0.873 7.324 12.873 297 HB2 ASP 39 1HB ASP 39 -0.058 9.494 11.831 298 HB3 ASP 39 2HB ASP 39 -1.136 9.146 10.483 299 H GLU 40 H GLU 40 -3.275 7.472 12.453 300 HA GLU 40 HA GLU 40 -4.135 5.154 11.108 301 HB2 GLU 40 1HB GLU 40 -5.573 7.507 12.299 302 HB3 GLU 40 2HB GLU 40 -6.456 6.253 11.439 303 HG2 GLU 40 1HG GLU 40 -4.622 5.677 13.747 304 HG3 GLU 40 2HG GLU 40 -6.343 6.011 13.936 305 H HIS 41 H HIS 41 -4.057 8.541 10.169 306 HA HIS 41 HA HIS 41 -5.346 7.923 7.620 307 HB2 HIS 41 1HB HIS 41 -4.381 10.625 8.554 308 HB3 HIS 41 2HB HIS 41 -5.562 10.275 7.296 309 HD1 HIS 41 1HD HIS 41 -5.694 11.828 10.285 310 HD2 HIS 41 2HD HIS 41 -7.642 8.415 8.933 311 HE1 HIS 41 1HE HIS 41 -7.731 11.594 11.740 312 HE2 HIS 41 2HE HIS 41 -8.848 9.476 10.960 313 H CYS 42 H CYS 42 -2.257 8.924 8.958 314 HA CYS 42 HA CYS 42 -1.082 9.046 6.283 315 HB2 CYS 42 1HB CYS 42 0.096 9.726 8.986 316 HB3 CYS 42 2HB CYS 42 0.920 9.927 7.443 317 HG CYS 42 HG CYS 42 -1.264 11.920 8.949 318 H TRP 43 H TRP 43 -0.098 7.340 5.444 319 HA TRP 43 HA TRP 43 0.964 5.289 7.276 320 HB2 TRP 43 1HB TRP 43 -0.344 4.951 4.572 321 HB3 TRP 43 2HB TRP 43 0.515 3.660 5.411 322 HD1 TRP 43 HD TRP 43 -0.884 4.945 8.283 323 HE1 TRP 43 1HE TRP 43 -3.239 4.057 8.817 324 HE3 TRP 43 3HE TRP 43 -2.137 3.148 3.664 325 HZ2 TRP 43 2HZ TRP 43 -5.349 2.762 7.460 326 HZ3 TRP 43 3HZ TRP 43 -4.343 2.098 3.367 327 HH2 TRP 43 HH TRP 43 -5.913 1.910 5.226 328 H VAL 44 H VAL 44 2.863 4.169 6.604 329 HA VAL 44 HA VAL 44 4.504 5.722 4.713 330 HB VAL 44 HB VAL 44 5.398 4.055 7.069 331 HG11 VAL 44 1HG1 VAL 44 6.815 4.456 4.791 332 HG12 VAL 44 2HG1 VAL 44 7.312 5.849 5.751 333 HG13 VAL 44 3HG1 VAL 44 7.532 4.217 6.384 334 HG21 VAL 44 3HG2 VAL 44 5.341 5.906 8.309 335 HG22 VAL 44 1HG2 VAL 44 6.172 6.840 7.065 336 HG23 VAL 44 2HG2 VAL 44 4.419 6.656 7.006 337 H GLY 45 H GLY 45 4.767 4.728 2.827 338 HA2 GLY 45 1HA GLY 45 5.035 1.784 2.837 339 HA3 GLY 45 2HA GLY 45 4.210 2.664 1.558 340 H GLU 46 H GLU 46 5.803 1.334 0.287 341 HA GLU 46 HA GLU 46 8.237 2.928 -0.110 342 HB2 GLU 46 1HB GLU 46 8.690 0.777 1.153 343 HB3 GLU 46 2HB GLU 46 8.200 -0.083 -0.299 344 HG2 GLU 46 1HG GLU 46 10.460 1.898 -0.153 345 HG3 GLU 46 2HG GLU 46 10.641 0.146 -0.078 346 H LEU 47 H LEU 47 8.608 3.473 -2.169 347 HA LEU 47 HA LEU 47 7.617 1.854 -4.354 348 HB2 LEU 47 1HB LEU 47 5.714 3.329 -3.682 349 HB3 LEU 47 2HB LEU 47 6.718 4.717 -4.090 350 HG LEU 47 HG LEU 47 6.852 3.509 -6.430 351 HD11 LEU 47 1HD1 LEU 47 4.813 2.020 -5.002 352 HD12 LEU 47 2HD1 LEU 47 5.614 1.663 -6.531 353 HD13 LEU 47 3HD1 LEU 47 4.207 2.725 -6.499 354 HD21 LEU 47 3HD2 LEU 47 4.361 4.976 -5.578 355 HD22 LEU 47 1HD2 LEU 47 5.063 4.906 -7.194 356 HD23 LEU 47 2HD2 LEU 47 5.910 5.755 -5.901 357 H ASN 48 H ASN 48 8.723 2.182 -6.254 358 HA ASN 48 HA ASN 48 10.621 2.649 -7.446 359 HB2 ASN 48 1HB ASN 48 9.443 5.324 -6.755 360 HB3 ASN 48 2HB ASN 48 10.919 5.222 -7.711 361 HD21 ASN 48 1HD2 ASN 48 7.573 5.186 -7.775 362 HD22 ASN 48 2HD2 ASN 48 7.350 4.651 -9.403 363 H GLY 49 H GLY 49 11.219 1.968 -4.789 364 HA2 GLY 49 1HA GLY 49 13.036 1.953 -3.383 365 HA3 GLY 49 2HA GLY 49 13.879 2.909 -4.592 366 H LEU 50 H LEU 50 10.899 3.915 -3.040 367 HA LEU 50 HA LEU 50 12.418 5.911 -1.498 368 HB2 LEU 50 1HB LEU 50 9.792 6.443 -2.871 369 HB3 LEU 50 2HB LEU 50 10.818 7.606 -2.032 370 HG LEU 50 HG LEU 50 11.557 6.195 -4.594 371 HD11 LEU 50 1HD1 LEU 50 9.607 7.914 -4.581 372 HD12 LEU 50 2HD1 LEU 50 10.878 8.039 -5.796 373 HD13 LEU 50 3HD1 LEU 50 10.898 9.100 -4.388 374 HD21 LEU 50 3HD2 LEU 50 12.857 8.673 -3.573 375 HD22 LEU 50 1HD2 LEU 50 13.508 7.397 -4.603 376 HD23 LEU 50 2HD2 LEU 50 13.314 7.119 -2.873 377 H ARG 51 H ARG 51 11.853 6.104 0.584 378 HA ARG 51 HA ARG 51 9.389 4.744 1.463 379 HB2 ARG 51 1HB ARG 51 12.149 4.792 2.582 380 HB3 ARG 51 2HB ARG 51 10.807 4.737 3.718 381 HG2 ARG 51 1HG ARG 51 9.973 2.711 2.629 382 HG3 ARG 51 2HG ARG 51 11.334 2.764 1.506 383 HD2 ARG 51 1HD ARG 51 11.915 2.819 4.421 384 HD3 ARG 51 2HD ARG 51 11.388 1.294 3.709 385 HE ARG 51 HE ARG 51 13.951 2.416 3.504 386 HH11 ARG 51 1HH1 ARG 51 11.548 0.853 1.530 387 HH12 ARG 51 2HH1 ARG 51 12.703 0.183 0.425 388 HH21 ARG 51 1HH2 ARG 51 15.481 1.540 2.057 389 HH22 ARG 51 2HH2 ARG 51 14.940 0.573 0.726 390 H GLY 52 H GLY 52 7.896 6.238 1.902 391 HA2 GLY 52 1HA GLY 52 8.539 8.324 3.826 392 HA3 GLY 52 2HA GLY 52 8.006 8.878 2.246 393 H TRP 53 H TRP 53 6.396 9.822 3.921 394 HA TRP 53 HA TRP 53 4.275 7.924 4.582 395 HB2 TRP 53 1HB TRP 53 3.342 9.661 5.958 396 HB3 TRP 53 2HB TRP 53 5.075 9.599 6.268 397 HD1 TRP 53 HD TRP 53 6.560 11.571 4.954 398 HE1 TRP 53 1HE TRP 53 5.920 14.024 4.511 399 HE3 TRP 53 3HE TRP 53 1.494 11.208 5.536 400 HZ2 TRP 53 2HZ TRP 53 3.578 15.597 4.422 401 HZ3 TRP 53 3HZ TRP 53 0.126 13.233 5.255 402 HH2 TRP 53 HH TRP 53 1.149 15.381 4.710 403 H PHE 54 H PHE 54 1.988 8.704 4.215 404 HA PHE 54 HA PHE 54 1.391 10.562 2.180 405 HB2 PHE 54 1HB PHE 54 0.793 9.072 0.353 406 HB3 PHE 54 2HB PHE 54 2.493 8.860 0.759 407 HD1 PHE 54 1HD PHE 54 -0.872 7.402 1.339 408 HD2 PHE 54 2HD PHE 54 3.332 6.749 1.239 409 HE1 PHE 54 1HE PHE 54 -1.245 4.985 1.612 410 HE2 PHE 54 2HE PHE 54 2.966 4.330 1.510 411 HZ PHE 54 HZ PHE 54 0.675 3.445 1.695 412 HA PRO 55 HA PRO 55 -2.609 10.023 3.907 413 HB2 PRO 55 1HB PRO 55 -4.167 10.912 1.869 414 HB3 PRO 55 2HB PRO 55 -3.184 11.990 2.868 415 HG2 PRO 55 1HG PRO 55 -2.608 10.875 0.149 416 HG3 PRO 55 2HG PRO 55 -2.356 12.520 0.761 417 HD2 PRO 55 1HD PRO 55 -0.346 10.716 0.561 418 HD3 PRO 55 2HD PRO 55 -0.393 11.957 1.830 419 H ALA 56 H ALA 56 -3.472 8.073 4.232 420 HA ALA 56 HA ALA 56 -3.527 5.970 2.390 421 HB1 ALA 56 3HB ALA 56 -5.485 6.213 4.653 422 HB2 ALA 56 1HB ALA 56 -4.744 4.760 3.982 423 HB3 ALA 56 2HB ALA 56 -3.775 5.887 4.931 424 H LYS 57 H LYS 57 -5.935 8.426 3.162 425 HA LYS 57 HA LYS 57 -8.149 7.389 1.860 426 HB2 LYS 57 1HB LYS 57 -8.988 9.647 1.742 427 HB3 LYS 57 2HB LYS 57 -8.135 9.440 3.267 428 HG2 LYS 57 1HG LYS 57 -6.129 10.481 2.123 429 HG3 LYS 57 2HG LYS 57 -7.233 10.928 0.821 430 HD2 LYS 57 1HD LYS 57 -7.996 11.607 3.616 431 HD3 LYS 57 2HD LYS 57 -6.732 12.563 2.838 432 HE2 LYS 57 1HE LYS 57 -8.176 13.306 1.152 433 HE3 LYS 57 2HE LYS 57 -9.353 12.035 1.476 434 HZ1 LYS 57 3HZ LYS 57 -8.738 14.311 3.282 435 HZ2 LYS 57 1HZ LYS 57 -9.880 13.096 3.576 436 HZ3 LYS 57 2HZ LYS 57 -10.107 14.179 2.296 437 H PHE 58 H PHE 58 -5.358 9.069 0.540 438 HA PHE 58 HA PHE 58 -6.359 9.509 -2.054 439 HB2 PHE 58 1HB PHE 58 -3.659 9.435 -0.799 440 HB3 PHE 58 2HB PHE 58 -3.743 9.327 -2.554 441 HD1 PHE 58 2HD PHE 58 -5.233 11.354 0.204 442 HD2 PHE 58 1HD PHE 58 -3.600 11.288 -3.726 443 HE1 PHE 58 2HE PHE 58 -5.467 13.799 0.069 444 HE2 PHE 58 1HE PHE 58 -3.831 13.734 -3.867 445 HZ PHE 58 HZ PHE 58 -4.767 14.992 -1.968 446 H VAL 59 H VAL 59 -4.834 6.735 -0.545 447 HA VAL 59 HA VAL 59 -5.029 5.258 -3.083 448 HB VAL 59 HB VAL 59 -3.416 3.709 -2.250 449 HG11 VAL 59 1HG1 VAL 59 -1.535 5.356 -1.549 450 HG12 VAL 59 2HG1 VAL 59 -2.254 5.496 -3.155 451 HG13 VAL 59 3HG1 VAL 59 -2.745 6.598 -1.868 452 HG21 VAL 59 3HG2 VAL 59 -4.081 3.443 0.017 453 HG22 VAL 59 1HG2 VAL 59 -2.417 4.029 0.037 454 HG23 VAL 59 2HG2 VAL 59 -3.744 5.136 0.383 455 H GLU 60 H GLU 60 -5.372 2.794 -2.620 456 HA GLU 60 HA GLU 60 -7.554 2.505 -0.662 457 HB2 GLU 60 1HB GLU 60 -8.218 2.650 -3.153 458 HB3 GLU 60 2HB GLU 60 -7.520 1.043 -3.289 459 HG2 GLU 60 1HG GLU 60 -9.994 1.107 -2.948 460 HG3 GLU 60 2HG GLU 60 -9.101 0.127 -1.786 461 H VAL 61 H VAL 61 -7.501 0.736 0.608 462 HA VAL 61 HA VAL 61 -5.125 -0.821 0.720 463 HB VAL 61 HB VAL 61 -7.728 -1.421 2.121 464 HG11 VAL 61 1HG1 VAL 61 -6.607 -2.942 3.322 465 HG12 VAL 61 2HG1 VAL 61 -5.399 -2.863 2.037 466 HG13 VAL 61 3HG1 VAL 61 -5.198 -1.897 3.499 467 HG21 VAL 61 3HG2 VAL 61 -6.184 -0.117 3.954 468 HG22 VAL 61 1HG2 VAL 61 -5.834 0.782 2.477 469 HG23 VAL 61 2HG2 VAL 61 -7.498 0.616 3.035 470 H LEU 62 H LEU 62 -4.773 -2.968 0.233 471 HA LEU 62 HA LEU 62 -6.890 -4.344 -1.280 472 HB2 LEU 62 1HB LEU 62 -4.054 -4.778 -2.040 473 HB3 LEU 62 2HB LEU 62 -5.513 -4.865 -3.025 474 HG LEU 62 HG LEU 62 -4.600 -2.201 -2.042 475 HD11 LEU 62 1HD1 LEU 62 -2.817 -2.019 -3.395 476 HD12 LEU 62 2HD1 LEU 62 -3.532 -3.030 -4.651 477 HD13 LEU 62 3HD1 LEU 62 -2.764 -3.777 -3.251 478 HD21 LEU 62 3HD2 LEU 62 -6.202 -3.316 -4.300 479 HD22 LEU 62 1HD2 LEU 62 -5.411 -1.750 -4.487 480 HD23 LEU 62 2HD2 LEU 62 -6.581 -1.996 -3.191 481 H ASP 63 H ASP 63 -7.058 -6.534 -0.985 482 HA ASP 63 HA ASP 63 -5.593 -7.609 1.302 483 HB2 ASP 63 1HB ASP 63 -7.315 -9.550 0.866 484 HB3 ASP 63 2HB ASP 63 -7.836 -8.054 1.638 485 H GLU 64 H GLU 64 -4.393 -9.497 1.245 486 HA GLU 64 HA GLU 64 -3.825 -10.588 -1.431 487 HB2 GLU 64 1HB GLU 64 -1.816 -10.099 0.774 488 HB3 GLU 64 2HB GLU 64 -1.472 -10.837 -0.785 489 HG2 GLU 64 1HG GLU 64 -1.614 -8.852 -1.915 490 HG3 GLU 64 2HG GLU 64 -2.690 -8.124 -0.724 491 H ARG 65 H ARG 65 -4.394 -12.648 -1.533 492 HA ARG 65 HA ARG 65 -4.171 -14.293 0.902 493 HB2 ARG 65 1HB ARG 65 -6.268 -14.125 -1.201 494 HB3 ARG 65 2HB ARG 65 -5.928 -15.710 -0.519 495 HG2 ARG 65 1HG ARG 65 -6.556 -13.308 1.173 496 HG3 ARG 65 2HG ARG 65 -7.793 -14.409 0.563 497 HD2 ARG 65 1HD ARG 65 -5.438 -15.518 2.022 498 HD3 ARG 65 2HD ARG 65 -6.737 -14.756 2.939 499 HE ARG 65 HE ARG 65 -6.789 -17.331 1.812 500 HH11 ARG 65 1HH1 ARG 65 -8.803 -14.519 2.200 501 HH12 ARG 65 2HH1 ARG 65 -10.285 -15.415 2.171 502 HH21 ARG 65 1HH2 ARG 65 -8.734 -18.522 1.772 503 HH22 ARG 65 2HH2 ARG 65 -10.245 -17.693 1.929 504 H SER 66 H SER 66 -3.488 -16.463 0.666 505 HA SER 66 HA SER 66 -2.724 -17.607 -1.804 506 HB2 SER 66 1HB SER 66 -0.977 -15.744 -1.435 507 HB3 SER 66 2HB SER 66 -0.344 -16.776 -0.154 508 HG SER 66 HG SER 66 -0.803 -17.870 -2.695 509 H LYS 67 H LYS 67 -1.320 -19.591 -1.447 510 HA LYS 67 HA LYS 67 -2.059 -20.808 1.131 511 HB2 LYS 67 1HB LYS 67 -3.074 -21.797 -0.930 512 HB3 LYS 67 2HB LYS 67 -1.453 -22.212 -1.477 513 HG2 LYS 67 1HG LYS 67 -2.327 -23.147 1.206 514 HG3 LYS 67 2HG LYS 67 -2.968 -23.956 -0.225 515 HD2 LYS 67 1HD LYS 67 -0.024 -23.483 0.087 516 HD3 LYS 67 2HD LYS 67 -0.805 -24.868 0.853 517 HE2 LYS 67 1HE LYS 67 -1.107 -24.259 -2.075 518 HE3 LYS 67 2HE LYS 67 0.212 -25.244 -1.447 519 HZ1 LYS 67 3HZ LYS 67 -2.407 -26.032 -2.029 520 HZ2 LYS 67 1HZ LYS 67 -2.187 -26.187 -0.359 521 HZ3 LYS 67 2HZ LYS 67 -1.140 -26.977 -1.426 522 H GLU 68 H GLU 68 0.420 -21.240 -1.404 523 HA GLU 68 HA GLU 68 2.322 -22.624 -0.097 524 HB2 GLU 68 1HB GLU 68 2.326 -21.397 -2.440 525 HB3 GLU 68 2HB GLU 68 3.265 -20.200 -1.560 526 HG2 GLU 68 1HG GLU 68 5.053 -21.589 -1.290 527 HG3 GLU 68 2HG GLU 68 4.066 -23.049 -1.338 528 H TYR 69 H TYR 69 3.359 -22.440 1.766 529 HA TYR 69 HA TYR 69 3.247 -19.987 3.274 530 HB2 TYR 69 1HB TYR 69 4.362 -22.728 3.838 531 HB3 TYR 69 2HB TYR 69 4.594 -21.382 4.949 532 HD1 TYR 69 2HD TYR 69 1.659 -22.564 2.954 533 HD2 TYR 69 1HD TYR 69 3.239 -21.652 6.798 534 HE1 TYR 69 2HE TYR 69 -0.538 -23.026 3.961 535 HE2 TYR 69 1HE TYR 69 1.049 -22.112 7.815 536 HH TYR 69 HH TYR 69 -1.799 -22.586 5.910 537 H SER 70 H SER 70 4.782 -18.484 3.456 538 HA SER 70 HA SER 70 7.190 -18.743 1.882 539 HB2 SER 70 1HB SER 70 7.541 -16.407 2.336 540 HB3 SER 70 2HB SER 70 5.825 -16.631 1.995 541 HG SER 70 HG SER 70 7.073 -16.277 4.513 542 H ILE 71 H ILE 71 9.271 -17.842 2.912 543 HA ILE 71 HA ILE 71 9.591 -18.970 5.615 544 HB ILE 71 HB ILE 71 11.904 -19.627 4.953 545 HG12 ILE 71 1HG1 ILE 71 10.995 -19.348 2.099 546 HG13 ILE 71 2HG1 ILE 71 11.828 -18.031 2.918 547 HG21 ILE 71 1HG2 ILE 71 9.509 -20.857 3.635 548 HG22 ILE 71 2HG2 ILE 71 11.115 -21.566 3.468 549 HG23 ILE 71 3HG2 ILE 71 10.387 -21.396 5.067 550 HD11 ILE 71 3HD1 ILE 71 13.296 -19.479 1.540 551 HD12 ILE 71 1HD1 ILE 71 13.774 -19.374 3.234 552 HD13 ILE 71 2HD1 ILE 71 12.938 -20.810 2.640 553 H ALA 72 H ALA 72 10.791 -17.817 7.051 554 HA ALA 72 HA ALA 72 12.618 -15.769 6.327 555 HB1 ALA 72 3HB ALA 72 11.230 -13.894 7.373 556 HB2 ALA 72 1HB ALA 72 10.816 -14.401 5.735 557 HB3 ALA 72 2HB ALA 72 9.838 -14.942 7.100 558 H SER 73 H SER 73 13.792 -15.015 8.082 559 HA SER 73 HA SER 73 12.937 -15.666 10.778 560 HB2 SER 73 1HB SER 73 14.137 -17.707 9.751 561 HB3 SER 73 2HB SER 73 15.604 -16.734 9.868 562 HG SER 73 HG SER 73 15.501 -16.801 12.023 563 H GLY 74 H GLY 74 14.274 -14.688 12.417 564 HA2 GLY 74 1HA GLY 74 16.499 -13.041 11.790 565 HA3 GLY 74 2HA GLY 74 15.033 -12.074 11.868 566 HA PRO 75 HA PRO 75 15.917 -13.962 16.266 567 HB2 PRO 75 1HB PRO 75 18.515 -14.630 16.687 568 HB3 PRO 75 2HB PRO 75 17.310 -15.782 16.098 569 HG2 PRO 75 1HG PRO 75 19.362 -14.233 14.563 570 HG3 PRO 75 2HG PRO 75 18.885 -15.934 14.393 571 HD2 PRO 75 1HD PRO 75 17.988 -13.995 12.728 572 HD3 PRO 75 2HD PRO 75 17.011 -15.414 13.156 573 H SER 76 H SER 76 15.933 -12.286 17.613 574 HA SER 76 HA SER 76 18.172 -10.381 17.481 575 HB2 SER 76 1HB SER 76 15.225 -9.831 17.491 576 HB3 SER 76 2HB SER 76 16.330 -8.669 18.223 577 HG SER 76 HG SER 76 16.997 -8.104 16.306 578 H SER 77 H SER 77 18.102 -8.913 19.519 579 HA SER 77 HA SER 77 17.432 -10.556 21.870 580 HB2 SER 77 1HB SER 77 19.828 -10.717 21.539 581 HB3 SER 77 2HB SER 77 19.963 -8.965 21.397 582 HG SER 77 HG SER 77 20.388 -9.176 23.468 583 H GLY 78 H GLY 78 15.681 -9.463 22.599 584 HA2 GLY 78 1HA GLY 78 15.869 -6.541 22.859 585 HA3 GLY 78 2HA GLY 78 14.385 -7.480 22.921 Start of MODEL 12 1 H1 GLY 1 H GLY 1 12.769 -5.808 -8.911 2 HA2 GLY 1 1HA GLY 1 11.100 -7.318 -8.366 3 HA3 GLY 1 2HA GLY 1 12.315 -8.333 -7.602 4 H SER 2 H SER 2 9.630 -7.554 -6.680 5 HA SER 2 HA SER 2 10.255 -5.922 -4.327 6 HB2 SER 2 1HB SER 2 8.225 -5.433 -5.769 7 HB3 SER 2 2HB SER 2 7.537 -6.942 -5.169 8 HG SER 2 HG SER 2 6.803 -5.473 -3.761 9 H SER 3 H SER 3 10.277 -6.716 -2.299 10 HA SER 3 HA SER 3 9.345 -9.460 -1.841 11 HB2 SER 3 1HB SER 3 12.062 -8.403 -1.023 12 HB3 SER 3 2HB SER 3 11.396 -9.966 -0.551 13 HG SER 3 HG SER 3 11.747 -10.726 -2.508 14 H GLY 4 H GLY 4 7.795 -9.218 -0.367 15 HA2 GLY 4 1HA GLY 4 8.416 -7.600 2.021 16 HA3 GLY 4 2HA GLY 4 6.859 -7.452 1.218 17 H SER 5 H SER 5 8.565 -9.005 3.642 18 HA SER 5 HA SER 5 7.047 -11.455 3.665 19 HB2 SER 5 1HB SER 5 9.161 -10.239 5.397 20 HB3 SER 5 2HB SER 5 8.165 -11.535 6.059 21 HG SER 5 HG SER 5 8.798 -12.510 3.824 22 H SER 6 H SER 6 4.941 -11.326 4.114 23 HA SER 6 HA SER 6 2.992 -10.903 5.207 24 HB2 SER 6 1HB SER 6 4.787 -10.228 7.549 25 HB3 SER 6 2HB SER 6 3.069 -10.619 7.629 26 HG SER 6 HG SER 6 4.477 -12.407 8.104 27 H GLY 7 H GLY 7 4.008 -8.844 3.620 28 HA2 GLY 7 1HA GLY 7 3.420 -6.407 5.169 29 HA3 GLY 7 2HA GLY 7 4.296 -6.452 3.646 30 H ARG 8 H ARG 8 2.296 -4.657 3.904 31 HA ARG 8 HA ARG 8 0.030 -5.843 2.447 32 HB2 ARG 8 1HB ARG 8 0.254 -3.568 4.365 33 HB3 ARG 8 2HB ARG 8 -0.980 -3.488 3.114 34 HG2 ARG 8 1HG ARG 8 -2.077 -5.401 3.923 35 HG3 ARG 8 2HG ARG 8 -0.703 -5.858 4.933 36 HD2 ARG 8 1HD ARG 8 -2.133 -3.261 5.363 37 HD3 ARG 8 2HD ARG 8 -2.764 -4.761 6.042 38 HE ARG 8 HE ARG 8 -0.492 -3.276 6.954 39 HH11 ARG 8 1HH1 ARG 8 -1.922 -6.445 6.770 40 HH12 ARG 8 2HH1 ARG 8 -1.074 -7.051 8.154 41 HH21 ARG 8 1HH2 ARG 8 0.630 -4.062 8.777 42 HH22 ARG 8 2HH2 ARG 8 0.377 -5.695 9.295 43 H ARG 9 H ARG 9 -1.050 -4.219 0.920 44 HA ARG 9 HA ARG 9 0.778 -2.350 -0.338 45 HB2 ARG 9 1HB ARG 9 -0.344 -4.715 -1.855 46 HB3 ARG 9 2HB ARG 9 0.556 -3.379 -2.562 47 HG2 ARG 9 1HG ARG 9 2.492 -4.013 -1.132 48 HG3 ARG 9 2HG ARG 9 1.582 -5.437 -0.624 49 HD2 ARG 9 1HD ARG 9 1.343 -5.872 -3.173 50 HD3 ARG 9 2HD ARG 9 2.711 -4.768 -3.313 51 HE ARG 9 HE ARG 9 3.512 -6.567 -1.439 52 HH11 ARG 9 1HH1 ARG 9 2.292 -6.822 -4.689 53 HH12 ARG 9 2HH1 ARG 9 3.167 -8.273 -5.044 54 HH21 ARG 9 1HH2 ARG 9 4.671 -8.479 -1.893 55 HH22 ARG 9 2HH2 ARG 9 4.520 -9.216 -3.452 56 H ALA 10 H ALA 10 -0.294 -0.629 -1.082 57 HA ALA 10 HA ALA 10 -3.219 -0.846 -1.354 58 HB1 ALA 10 3HB ALA 10 -1.899 1.793 -1.002 59 HB2 ALA 10 1HB ALA 10 -3.476 1.233 -0.446 60 HB3 ALA 10 2HB ALA 10 -2.012 0.721 0.393 61 H LYS 11 H LYS 11 -4.235 0.531 -2.973 62 HA LYS 11 HA LYS 11 -2.509 0.870 -5.336 63 HB2 LYS 11 1HB LYS 11 -4.376 -0.853 -5.424 64 HB3 LYS 11 2HB LYS 11 -5.503 0.496 -5.360 65 HG2 LYS 11 1HG LYS 11 -4.148 1.370 -7.402 66 HG3 LYS 11 2HG LYS 11 -3.640 -0.314 -7.543 67 HD2 LYS 11 1HD LYS 11 -5.518 -0.299 -8.874 68 HD3 LYS 11 2HD LYS 11 -6.201 -0.796 -7.324 69 HE2 LYS 11 1HE LYS 11 -7.669 0.857 -8.028 70 HE3 LYS 11 2HE LYS 11 -6.584 1.732 -6.949 71 HZ1 LYS 11 3HZ LYS 11 -6.033 1.618 -9.841 72 HZ2 LYS 11 1HZ LYS 11 -5.538 2.771 -8.707 73 HZ3 LYS 11 2HZ LYS 11 -7.145 2.737 -9.230 74 H ALA 12 H ALA 12 -2.303 2.838 -6.200 75 HA ALA 12 HA ALA 12 -3.487 5.098 -4.911 76 HB1 ALA 12 3HB ALA 12 -2.272 6.404 -6.636 77 HB2 ALA 12 1HB ALA 12 -1.245 5.276 -5.751 78 HB3 ALA 12 2HB ALA 12 -1.780 4.885 -7.387 79 H LEU 13 H LEU 13 -5.495 5.763 -5.256 80 HA LEU 13 HA LEU 13 -7.005 4.968 -7.552 81 HB2 LEU 13 1HB LEU 13 -7.758 7.087 -5.555 82 HB3 LEU 13 2HB LEU 13 -8.831 6.116 -6.563 83 HG LEU 13 HG LEU 13 -7.116 4.857 -4.445 84 HD11 LEU 13 1HD1 LEU 13 -9.832 6.115 -4.110 85 HD12 LEU 13 2HD1 LEU 13 -8.344 6.538 -3.266 86 HD13 LEU 13 3HD1 LEU 13 -9.113 4.980 -2.967 87 HD21 LEU 13 3HD2 LEU 13 -8.576 3.733 -6.400 88 HD22 LEU 13 1HD2 LEU 13 -9.810 3.880 -5.149 89 HD23 LEU 13 2HD2 LEU 13 -8.324 2.988 -4.821 90 H LEU 14 H LEU 14 -4.953 7.600 -6.817 91 HA LEU 14 HA LEU 14 -5.466 8.772 -9.414 92 HB2 LEU 14 1HB LEU 14 -5.918 10.980 -8.642 93 HB3 LEU 14 2HB LEU 14 -7.068 9.884 -7.880 94 HG LEU 14 HG LEU 14 -4.599 10.648 -6.389 95 HD11 LEU 14 1HD1 LEU 14 -7.064 12.375 -6.519 96 HD12 LEU 14 2HD1 LEU 14 -5.533 12.753 -7.308 97 HD13 LEU 14 3HD1 LEU 14 -5.617 12.652 -5.549 98 HD21 LEU 14 3HD2 LEU 14 -7.435 9.932 -5.676 99 HD22 LEU 14 1HD2 LEU 14 -6.256 10.520 -4.503 100 HD23 LEU 14 2HD2 LEU 14 -5.969 9.005 -5.359 101 H ASP 15 H ASP 15 -3.997 10.948 -9.449 102 HA ASP 15 HA ASP 15 -1.318 9.963 -8.907 103 HB2 ASP 15 1HB ASP 15 -1.295 10.869 -11.014 104 HB3 ASP 15 2HB ASP 15 -2.505 12.087 -10.619 105 H PHE 16 H PHE 16 0.123 10.838 -7.498 106 HA PHE 16 HA PHE 16 -0.719 13.186 -5.949 107 HB2 PHE 16 1HB PHE 16 -1.258 11.202 -4.618 108 HB3 PHE 16 2HB PHE 16 0.395 10.623 -4.790 109 HD1 PHE 16 1HD PHE 16 -1.357 13.733 -3.694 110 HD2 PHE 16 2HD PHE 16 1.770 10.934 -2.990 111 HE1 PHE 16 1HE PHE 16 -0.721 14.962 -1.660 112 HE2 PHE 16 2HE PHE 16 2.411 12.157 -0.954 113 HZ PHE 16 HZ PHE 16 1.164 14.174 -0.287 114 H GLU 17 H GLU 17 0.775 14.709 -6.108 115 HA GLU 17 HA GLU 17 3.546 13.930 -6.677 116 HB2 GLU 17 1HB GLU 17 3.861 16.241 -7.422 117 HB3 GLU 17 2HB GLU 17 2.521 15.480 -8.267 118 HG2 GLU 17 1HG GLU 17 1.088 16.591 -6.390 119 HG3 GLU 17 2HG GLU 17 2.490 17.647 -6.226 120 H ARG 18 H ARG 18 4.185 13.393 -4.574 121 HA ARG 18 HA ARG 18 3.804 14.570 -2.197 122 HB2 ARG 18 1HB ARG 18 5.843 13.689 -1.460 123 HB3 ARG 18 2HB ARG 18 5.421 12.671 -2.830 124 HG2 ARG 18 1HG ARG 18 6.881 14.450 -4.134 125 HG3 ARG 18 2HG ARG 18 7.604 14.653 -2.537 126 HD2 ARG 18 1HD ARG 18 8.032 12.237 -2.440 127 HD3 ARG 18 2HD ARG 18 7.330 12.055 -4.047 128 HE ARG 18 HE ARG 18 9.967 12.951 -3.416 129 HH11 ARG 18 1HH1 ARG 18 7.375 13.245 -5.720 130 HH12 ARG 18 2HH1 ARG 18 8.417 13.686 -7.032 131 HH21 ARG 18 1HH2 ARG 18 11.349 13.530 -5.134 132 HH22 ARG 18 2HH2 ARG 18 10.678 13.846 -6.698 133 H HIS 19 H HIS 19 4.055 16.507 -1.291 134 HA HIS 19 HA HIS 19 5.316 18.626 -2.816 135 HB2 HIS 19 1HB HIS 19 3.681 18.582 -0.282 136 HB3 HIS 19 2HB HIS 19 4.462 20.048 -0.872 137 HD1 HIS 19 1HD HIS 19 3.808 20.327 -3.674 138 HD2 HIS 19 2HD HIS 19 1.104 18.572 -1.052 139 HE1 HIS 19 1HE HIS 19 1.562 20.533 -4.786 140 HE2 HIS 19 2HE HIS 19 -0.070 19.540 -3.143 141 H ASP 20 H ASP 20 5.759 16.961 0.268 142 HA ASP 20 HA ASP 20 8.221 18.475 0.744 143 HB2 ASP 20 1HB ASP 20 6.344 17.981 2.514 144 HB3 ASP 20 2HB ASP 20 7.158 16.426 2.649 145 H ASP 21 H ASP 21 10.056 17.139 1.711 146 HA ASP 21 HA ASP 21 10.856 15.208 -0.214 147 HB2 ASP 21 1HB ASP 21 12.469 16.680 0.911 148 HB3 ASP 21 2HB ASP 21 12.103 15.910 2.452 149 H ASP 22 H ASP 22 9.649 15.017 3.091 150 HA ASP 22 HA ASP 22 10.101 12.220 3.392 151 HB2 ASP 22 1HB ASP 22 8.350 12.544 5.280 152 HB3 ASP 22 2HB ASP 22 9.910 13.350 5.424 153 H GLU 23 H GLU 23 7.396 14.179 2.286 154 HA GLU 23 HA GLU 23 5.389 12.254 2.277 155 HB2 GLU 23 1HB GLU 23 5.905 14.728 0.681 156 HB3 GLU 23 2HB GLU 23 4.597 13.658 0.190 157 HG2 GLU 23 1HG GLU 23 3.464 13.951 2.245 158 HG3 GLU 23 2HG GLU 23 4.855 14.749 2.977 159 H LEU 24 H LEU 24 4.757 10.670 0.881 160 HA LEU 24 HA LEU 24 6.731 9.871 -1.130 161 HB2 LEU 24 1HB LEU 24 6.088 8.247 0.607 162 HB3 LEU 24 2HB LEU 24 4.422 8.322 0.038 163 HG LEU 24 HG LEU 24 5.237 7.436 -2.166 164 HD11 LEU 24 1HD1 LEU 24 7.571 8.038 -1.993 165 HD12 LEU 24 2HD1 LEU 24 7.415 6.291 -2.165 166 HD13 LEU 24 3HD1 LEU 24 7.766 6.995 -0.586 167 HD21 LEU 24 3HD2 LEU 24 5.295 5.155 -1.425 168 HD22 LEU 24 1HD2 LEU 24 4.170 6.046 -0.399 169 HD23 LEU 24 2HD2 LEU 24 5.780 5.646 0.198 170 H GLY 25 H GLY 25 6.351 10.208 -3.216 171 HA2 GLY 25 1HA GLY 25 3.656 10.977 -4.054 172 HA3 GLY 25 2HA GLY 25 5.134 11.208 -4.976 173 H PHE 26 H PHE 26 2.853 10.203 -6.160 174 HA PHE 26 HA PHE 26 3.842 7.797 -7.300 175 HB2 PHE 26 1HB PHE 26 1.680 6.492 -6.648 176 HB3 PHE 26 2HB PHE 26 3.028 6.551 -5.515 177 HD1 PHE 26 1HD PHE 26 -0.353 7.761 -6.236 178 HD2 PHE 26 2HD PHE 26 2.861 7.756 -3.446 179 HE1 PHE 26 1HE PHE 26 -1.851 8.680 -4.514 180 HE2 PHE 26 2HE PHE 26 1.369 8.675 -1.719 181 HZ PHE 26 HZ PHE 26 -0.990 9.137 -2.252 182 H ARG 27 H ARG 27 2.002 6.783 -8.739 183 HA ARG 27 HA ARG 27 0.498 9.017 -9.936 184 HB2 ARG 27 1HB ARG 27 1.977 6.739 -11.240 185 HB3 ARG 27 2HB ARG 27 0.747 7.661 -12.094 186 HG2 ARG 27 1HG ARG 27 3.153 8.923 -10.809 187 HG3 ARG 27 2HG ARG 27 3.115 8.380 -12.488 188 HD2 ARG 27 1HD ARG 27 1.305 9.900 -12.980 189 HD3 ARG 27 2HD ARG 27 1.197 10.372 -11.285 190 HE ARG 27 HE ARG 27 3.789 10.910 -12.097 191 HH11 ARG 27 1HH1 ARG 27 0.567 11.939 -12.920 192 HH12 ARG 27 2HH1 ARG 27 1.058 13.527 -13.408 193 HH21 ARG 27 1HH2 ARG 27 4.448 12.997 -12.737 194 HH22 ARG 27 2HH2 ARG 27 3.266 14.127 -13.305 195 H LYS 28 H LYS 28 -1.447 8.375 -11.139 196 HA LYS 28 HA LYS 28 -3.205 6.865 -9.598 197 HB2 LYS 28 1HB LYS 28 -3.981 8.548 -11.177 198 HB3 LYS 28 2HB LYS 28 -3.378 7.595 -12.527 199 HG2 LYS 28 1HG LYS 28 -4.981 5.807 -11.918 200 HG3 LYS 28 2HG LYS 28 -5.633 6.870 -10.671 201 HD2 LYS 28 1HD LYS 28 -6.093 8.552 -12.476 202 HD3 LYS 28 2HD LYS 28 -5.641 7.317 -13.652 203 HE2 LYS 28 1HE LYS 28 -7.506 6.045 -13.237 204 HE3 LYS 28 2HE LYS 28 -7.686 6.651 -11.593 205 HZ1 LYS 28 3HZ LYS 28 -9.044 7.493 -13.852 206 HZ2 LYS 28 1HZ LYS 28 -8.000 8.761 -13.448 207 HZ3 LYS 28 2HZ LYS 28 -9.103 8.178 -12.306 208 H ASN 29 H ASN 29 -3.994 4.794 -9.710 209 HA ASN 29 HA ASN 29 -3.975 2.549 -10.081 210 HB2 ASN 29 1HB ASN 29 -3.015 3.385 -12.827 211 HB3 ASN 29 2HB ASN 29 -3.604 1.782 -12.402 212 HD21 ASN 29 1HD2 ASN 29 -4.740 3.238 -14.430 213 HD22 ASN 29 2HD2 ASN 29 -6.338 3.714 -13.973 214 H ASP 30 H ASP 30 -1.831 3.426 -8.683 215 HA ASP 30 HA ASP 30 0.373 1.779 -9.738 216 HB2 ASP 30 1HB ASP 30 0.476 4.403 -8.259 217 HB3 ASP 30 2HB ASP 30 1.863 3.319 -8.331 218 H ILE 31 H ILE 31 1.270 0.303 -8.387 219 HA ILE 31 HA ILE 31 -0.120 -0.177 -5.873 220 HB ILE 31 HB ILE 31 1.965 -1.859 -7.270 221 HG12 ILE 31 1HG1 ILE 31 -0.104 -1.638 -8.579 222 HG13 ILE 31 2HG1 ILE 31 0.081 -3.271 -7.951 223 HG21 ILE 31 1HG2 ILE 31 2.073 -2.985 -5.358 224 HG22 ILE 31 2HG2 ILE 31 0.795 -2.001 -4.647 225 HG23 ILE 31 3HG2 ILE 31 0.383 -3.433 -5.590 226 HD11 ILE 31 3HD1 ILE 31 -1.424 -2.465 -6.029 227 HD12 ILE 31 1HD1 ILE 31 -1.833 -1.137 -7.114 228 HD13 ILE 31 2HD1 ILE 31 -2.155 -2.802 -7.597 229 H ILE 32 H ILE 32 0.714 0.178 -3.912 230 HA ILE 32 HA ILE 32 3.596 0.753 -3.703 231 HB ILE 32 HB ILE 32 1.401 2.201 -2.217 232 HG12 ILE 32 1HG1 ILE 32 3.282 3.526 -4.125 233 HG13 ILE 32 2HG1 ILE 32 1.901 2.646 -4.772 234 HG21 ILE 32 1HG2 ILE 32 3.066 3.475 -1.167 235 HG22 ILE 32 2HG2 ILE 32 3.644 1.812 -1.067 236 HG23 ILE 32 3HG2 ILE 32 4.318 2.909 -2.273 237 HD11 ILE 32 3HD1 ILE 32 0.378 4.113 -3.869 238 HD12 ILE 32 1HD1 ILE 32 1.494 4.672 -2.623 239 HD13 ILE 32 2HD1 ILE 32 1.712 5.184 -4.297 240 H THR 33 H THR 33 4.650 -0.271 -2.111 241 HA THR 33 HA THR 33 3.219 -2.211 -0.529 242 HB THR 33 HB THR 33 6.163 -1.529 -0.620 243 HG1 THR 33 1HG THR 33 5.863 -2.591 -2.453 244 HG21 THR 33 3HG2 THR 33 4.723 -2.996 1.323 245 HG22 THR 33 1HG2 THR 33 6.471 -2.841 1.152 246 HG23 THR 33 2HG2 THR 33 5.618 -4.160 0.348 247 H ILE 34 H ILE 34 2.579 -2.003 1.519 248 HA ILE 34 HA ILE 34 3.117 0.484 2.912 249 HB ILE 34 HB ILE 34 1.371 -1.855 3.693 250 HG12 ILE 34 1HG1 ILE 34 0.764 0.821 2.425 251 HG13 ILE 34 2HG1 ILE 34 0.478 -0.776 1.743 252 HG21 ILE 34 1HG2 ILE 34 2.349 0.326 5.236 253 HG22 ILE 34 2HG2 ILE 34 0.617 0.544 4.992 254 HG23 ILE 34 3HG2 ILE 34 1.224 -0.947 5.711 255 HD11 ILE 34 3HD1 ILE 34 -0.919 -0.762 4.148 256 HD12 ILE 34 1HD1 ILE 34 -1.204 0.826 3.434 257 HD13 ILE 34 2HD1 ILE 34 -1.588 -0.634 2.521 258 H ILE 35 H ILE 35 4.723 0.717 4.310 259 HA ILE 35 HA ILE 35 6.058 -1.652 5.374 260 HB ILE 35 HB ILE 35 6.892 1.239 5.621 261 HG12 ILE 35 1HG1 ILE 35 6.794 0.526 3.264 262 HG13 ILE 35 2HG1 ILE 35 8.454 0.784 3.793 263 HG21 ILE 35 1HG2 ILE 35 7.787 -0.423 7.286 264 HG22 ILE 35 2HG2 ILE 35 8.567 -1.241 5.933 265 HG23 ILE 35 3HG2 ILE 35 9.004 0.421 6.328 266 HD11 ILE 35 3HD1 ILE 35 7.691 -1.948 4.213 267 HD12 ILE 35 1HD1 ILE 35 7.389 -1.472 2.543 268 HD13 ILE 35 2HD1 ILE 35 9.000 -1.284 3.237 269 H SER 36 H SER 36 5.092 1.526 6.683 270 HA SER 36 HA SER 36 4.115 0.178 9.093 271 HB2 SER 36 1HB SER 36 6.564 1.164 9.239 272 HB3 SER 36 2HB SER 36 5.702 2.688 9.451 273 HG SER 36 HG SER 36 5.787 0.436 11.109 274 H GLN 37 H GLN 37 2.267 1.015 9.863 275 HA GLN 37 HA GLN 37 1.225 3.417 8.538 276 HB2 GLN 37 1HB GLN 37 -0.174 1.180 10.007 277 HB3 GLN 37 2HB GLN 37 -0.991 2.614 9.401 278 HG2 GLN 37 1HG GLN 37 -0.324 2.037 7.126 279 HG3 GLN 37 2HG GLN 37 0.497 0.601 7.732 280 HE21 GLN 37 1HE2 GLN 37 -2.059 1.395 6.069 281 HE22 GLN 37 2HE2 GLN 37 -3.218 0.244 6.628 282 H LYS 38 H LYS 38 2.252 4.975 9.815 283 HA LYS 38 HA LYS 38 2.413 5.067 12.573 284 HB2 LYS 38 1HB LYS 38 2.400 7.110 10.413 285 HB3 LYS 38 2HB LYS 38 2.176 7.679 12.060 286 HG2 LYS 38 1HG LYS 38 4.522 7.750 11.337 287 HG3 LYS 38 2HG LYS 38 4.274 6.698 12.731 288 HD2 LYS 38 1HD LYS 38 4.303 4.741 11.284 289 HD3 LYS 38 2HD LYS 38 4.486 5.776 9.864 290 HE2 LYS 38 1HE LYS 38 6.445 5.533 12.147 291 HE3 LYS 38 2HE LYS 38 6.623 4.804 10.553 292 HZ1 LYS 38 3HZ LYS 38 6.138 7.545 10.229 293 HZ2 LYS 38 1HZ LYS 38 7.532 6.672 9.834 294 HZ3 LYS 38 2HZ LYS 38 7.377 7.367 11.368 295 H ASP 39 H ASP 39 0.060 6.993 10.711 296 HA ASP 39 HA ASP 39 -1.796 6.745 12.980 297 HB2 ASP 39 1HB ASP 39 -0.985 9.046 12.199 298 HB3 ASP 39 2HB ASP 39 -1.985 8.788 10.772 299 H GLU 40 H GLU 40 -4.174 6.980 12.237 300 HA GLU 40 HA GLU 40 -4.819 4.710 10.700 301 HB2 GLU 40 1HB GLU 40 -6.287 5.629 12.453 302 HB3 GLU 40 2HB GLU 40 -6.584 7.045 11.457 303 HG2 GLU 40 1HG GLU 40 -8.458 5.697 11.147 304 HG3 GLU 40 2HG GLU 40 -7.478 5.437 9.706 305 H HIS 41 H HIS 41 -4.331 8.041 9.856 306 HA HIS 41 HA HIS 41 -5.316 7.534 7.134 307 HB2 HIS 41 1HB HIS 41 -5.060 9.987 8.810 308 HB3 HIS 41 2HB HIS 41 -4.894 10.159 7.064 309 HD1 HIS 41 1HD HIS 41 -7.096 11.442 6.808 310 HD2 HIS 41 2HD HIS 41 -7.545 7.687 8.529 311 HE1 HIS 41 1HE HIS 41 -9.569 10.991 6.800 312 HE2 HIS 41 2HE HIS 41 -9.824 8.752 7.924 313 H CYS 42 H CYS 42 -2.581 8.959 8.899 314 HA CYS 42 HA CYS 42 -0.973 9.148 6.519 315 HB2 CYS 42 1HB CYS 42 -0.088 9.441 9.394 316 HB3 CYS 42 2HB CYS 42 0.749 10.026 7.961 317 HG CYS 42 HG CYS 42 -0.427 12.312 7.807 318 H TRP 43 H TRP 43 -0.190 7.362 5.617 319 HA TRP 43 HA TRP 43 0.896 5.269 7.385 320 HB2 TRP 43 1HB TRP 43 -0.376 4.979 4.657 321 HB3 TRP 43 2HB TRP 43 0.414 3.672 5.533 322 HD1 TRP 43 HD TRP 43 -1.052 5.033 8.342 323 HE1 TRP 43 1HE TRP 43 -3.449 4.211 8.798 324 HE3 TRP 43 3HE TRP 43 -2.180 3.203 3.704 325 HZ2 TRP 43 2HZ TRP 43 -5.539 2.953 7.380 326 HZ3 TRP 43 3HZ TRP 43 -4.400 2.205 3.338 327 HH2 TRP 43 HH TRP 43 -6.042 2.084 5.139 328 H VAL 44 H VAL 44 2.699 4.020 6.466 329 HA VAL 44 HA VAL 44 4.359 5.669 4.671 330 HB VAL 44 HB VAL 44 5.294 3.939 6.965 331 HG11 VAL 44 1HG1 VAL 44 7.040 5.801 5.408 332 HG12 VAL 44 2HG1 VAL 44 7.485 4.403 6.387 333 HG13 VAL 44 3HG1 VAL 44 6.729 4.171 4.810 334 HG21 VAL 44 3HG2 VAL 44 5.708 6.893 6.763 335 HG22 VAL 44 1HG2 VAL 44 4.180 6.255 7.372 336 HG23 VAL 44 2HG2 VAL 44 5.690 5.858 8.191 337 H GLY 45 H GLY 45 4.618 4.716 2.765 338 HA2 GLY 45 1HA GLY 45 4.731 1.765 2.687 339 HA3 GLY 45 2HA GLY 45 4.093 2.759 1.384 340 H GLU 46 H GLU 46 5.571 1.605 -0.004 341 HA GLU 46 HA GLU 46 8.151 2.944 -0.125 342 HB2 GLU 46 1HB GLU 46 8.212 0.627 1.145 343 HB3 GLU 46 2HB GLU 46 8.189 -0.020 -0.489 344 HG2 GLU 46 1HG GLU 46 10.256 0.848 -1.009 345 HG3 GLU 46 2HG GLU 46 10.163 2.094 0.235 346 H LEU 47 H LEU 47 8.485 3.604 -2.137 347 HA LEU 47 HA LEU 47 7.825 1.935 -4.399 348 HB2 LEU 47 1HB LEU 47 5.724 3.211 -3.769 349 HB3 LEU 47 2HB LEU 47 6.584 4.670 -4.256 350 HG LEU 47 HG LEU 47 6.897 3.269 -6.496 351 HD11 LEU 47 1HD1 LEU 47 5.822 1.269 -5.973 352 HD12 LEU 47 2HD1 LEU 47 4.615 2.166 -6.895 353 HD13 LEU 47 3HD1 LEU 47 4.501 2.087 -5.136 354 HD21 LEU 47 3HD2 LEU 47 5.407 4.720 -7.425 355 HD22 LEU 47 1HD2 LEU 47 5.608 5.492 -5.850 356 HD23 LEU 47 2HD2 LEU 47 4.203 4.471 -6.158 357 H ASN 48 H ASN 48 8.806 2.628 -6.345 358 HA ASN 48 HA ASN 48 10.580 3.432 -7.530 359 HB2 ASN 48 1HB ASN 48 9.550 5.911 -6.161 360 HB3 ASN 48 2HB ASN 48 10.882 5.971 -7.312 361 HD21 ASN 48 1HD2 ASN 48 7.504 5.118 -6.903 362 HD22 ASN 48 2HD2 ASN 48 7.066 5.288 -8.565 363 H GLY 49 H GLY 49 11.139 2.314 -4.888 364 HA2 GLY 49 1HA GLY 49 13.028 1.962 -3.624 365 HA3 GLY 49 2HA GLY 49 13.882 3.047 -4.709 366 H LEU 50 H LEU 50 11.023 4.165 -3.110 367 HA LEU 50 HA LEU 50 12.695 5.721 -1.247 368 HB2 LEU 50 1HB LEU 50 10.118 6.675 -2.469 369 HB3 LEU 50 2HB LEU 50 11.279 7.611 -1.529 370 HG LEU 50 HG LEU 50 11.819 6.477 -4.273 371 HD11 LEU 50 1HD1 LEU 50 11.382 8.591 -5.186 372 HD12 LEU 50 2HD1 LEU 50 11.321 9.360 -3.601 373 HD13 LEU 50 3HD1 LEU 50 10.024 8.277 -4.105 374 HD21 LEU 50 3HD2 LEU 50 13.685 7.037 -2.504 375 HD22 LEU 50 1HD2 LEU 50 13.355 8.693 -3.014 376 HD23 LEU 50 2HD2 LEU 50 13.868 7.491 -4.199 377 H ARG 51 H ARG 51 11.646 6.381 0.738 378 HA ARG 51 HA ARG 51 9.272 4.823 1.468 379 HB2 ARG 51 1HB ARG 51 11.616 3.811 2.158 380 HB3 ARG 51 2HB ARG 51 11.505 5.006 3.444 381 HG2 ARG 51 1HG ARG 51 9.108 3.950 3.748 382 HG3 ARG 51 2HG ARG 51 9.881 2.567 2.970 383 HD2 ARG 51 1HD ARG 51 10.116 2.291 5.325 384 HD3 ARG 51 2HD ARG 51 11.697 2.730 4.682 385 HE ARG 51 HE ARG 51 10.741 5.113 5.412 386 HH11 ARG 51 1HH1 ARG 51 10.818 2.060 7.082 387 HH12 ARG 51 2HH1 ARG 51 10.915 2.776 8.657 388 HH21 ARG 51 1HH2 ARG 51 10.870 6.069 7.479 389 HH22 ARG 51 2HH2 ARG 51 10.944 5.056 8.882 390 H GLY 52 H GLY 52 7.832 6.341 1.982 391 HA2 GLY 52 1HA GLY 52 8.507 8.248 4.079 392 HA3 GLY 52 2HA GLY 52 8.030 8.936 2.535 393 H TRP 53 H TRP 53 6.432 9.799 4.290 394 HA TRP 53 HA TRP 53 4.233 7.951 4.779 395 HB2 TRP 53 1HB TRP 53 3.360 9.582 6.269 396 HB3 TRP 53 2HB TRP 53 5.102 9.581 6.524 397 HD1 TRP 53 HD TRP 53 6.447 11.643 5.141 398 HE1 TRP 53 1HE TRP 53 5.699 14.090 4.851 399 HE3 TRP 53 3HE TRP 53 1.457 11.086 6.101 400 HZ2 TRP 53 2HZ TRP 53 3.310 15.584 5.008 401 HZ3 TRP 53 3HZ TRP 53 0.009 13.074 6.010 402 HH2 TRP 53 HH TRP 53 0.919 15.275 5.476 403 H PHE 54 H PHE 54 1.988 8.725 4.358 404 HA PHE 54 HA PHE 54 1.467 10.728 2.430 405 HB2 PHE 54 1HB PHE 54 0.919 9.374 0.501 406 HB3 PHE 54 2HB PHE 54 2.591 9.064 0.962 407 HD1 PHE 54 1HD PHE 54 -0.851 7.726 1.408 408 HD2 PHE 54 2HD PHE 54 3.319 6.890 1.249 409 HE1 PHE 54 1HE PHE 54 -1.333 5.316 1.516 410 HE2 PHE 54 2HE PHE 54 2.843 4.479 1.355 411 HZ PHE 54 HZ PHE 54 0.515 3.689 1.488 412 HA PRO 55 HA PRO 55 -2.571 10.152 4.059 413 HB2 PRO 55 1HB PRO 55 -4.062 11.256 2.078 414 HB3 PRO 55 2HB PRO 55 -3.074 12.216 3.186 415 HG2 PRO 55 1HG PRO 55 -2.468 11.327 0.393 416 HG3 PRO 55 2HG PRO 55 -2.187 12.905 1.149 417 HD2 PRO 55 1HD PRO 55 -0.221 11.071 0.831 418 HD3 PRO 55 2HD PRO 55 -0.262 12.199 2.202 419 H ALA 56 H ALA 56 -3.134 8.030 4.153 420 HA ALA 56 HA ALA 56 -3.332 6.201 2.100 421 HB1 ALA 56 3HB ALA 56 -3.418 5.615 4.483 422 HB2 ALA 56 1HB ALA 56 -5.045 6.293 4.581 423 HB3 ALA 56 2HB ALA 56 -4.738 4.876 3.574 424 H LYS 57 H LYS 57 -5.679 8.589 3.160 425 HA LYS 57 HA LYS 57 -7.984 7.718 1.940 426 HB2 LYS 57 1HB LYS 57 -8.545 10.167 1.681 427 HB3 LYS 57 2HB LYS 57 -8.075 9.667 3.300 428 HG2 LYS 57 1HG LYS 57 -5.780 10.504 2.818 429 HG3 LYS 57 2HG LYS 57 -6.391 11.143 1.291 430 HD2 LYS 57 1HD LYS 57 -7.744 11.852 3.862 431 HD3 LYS 57 2HD LYS 57 -6.266 12.689 3.381 432 HE2 LYS 57 1HE LYS 57 -7.820 14.061 2.421 433 HE3 LYS 57 2HE LYS 57 -7.561 12.929 1.095 434 HZ1 LYS 57 3HZ LYS 57 -9.627 12.128 1.275 435 HZ2 LYS 57 1HZ LYS 57 -9.961 13.553 2.124 436 HZ3 LYS 57 2HZ LYS 57 -9.608 12.128 2.967 437 H PHE 58 H PHE 58 -5.115 9.023 0.472 438 HA PHE 58 HA PHE 58 -6.273 9.612 -2.066 439 HB2 PHE 58 1HB PHE 58 -3.518 9.453 -0.952 440 HB3 PHE 58 2HB PHE 58 -3.692 9.333 -2.700 441 HD1 PHE 58 2HD PHE 58 -4.705 11.455 0.183 442 HD2 PHE 58 1HD PHE 58 -3.811 11.255 -3.974 443 HE1 PHE 58 2HE PHE 58 -4.862 13.907 0.035 444 HE2 PHE 58 1HE PHE 58 -3.965 13.706 -4.129 445 HZ PHE 58 HZ PHE 58 -4.492 15.035 -2.123 446 H VAL 59 H VAL 59 -4.770 6.792 -0.625 447 HA VAL 59 HA VAL 59 -5.203 5.309 -3.135 448 HB VAL 59 HB VAL 59 -3.494 3.810 -2.552 449 HG11 VAL 59 1HG1 VAL 59 -2.378 5.676 -3.330 450 HG12 VAL 59 2HG1 VAL 59 -2.814 6.651 -1.925 451 HG13 VAL 59 3HG1 VAL 59 -1.583 5.396 -1.782 452 HG21 VAL 59 3HG2 VAL 59 -3.565 4.989 0.222 453 HG22 VAL 59 1HG2 VAL 59 -4.117 3.384 -0.256 454 HG23 VAL 59 2HG2 VAL 59 -2.401 3.788 -0.336 455 H GLU 60 H GLU 60 -5.484 2.831 -2.571 456 HA GLU 60 HA GLU 60 -7.457 2.589 -0.400 457 HB2 GLU 60 1HB GLU 60 -8.570 2.784 -2.621 458 HB3 GLU 60 2HB GLU 60 -7.712 1.339 -3.139 459 HG2 GLU 60 1HG GLU 60 -9.936 0.731 -2.517 460 HG3 GLU 60 2HG GLU 60 -8.818 0.081 -1.318 461 H VAL 61 H VAL 61 -7.370 0.751 0.797 462 HA VAL 61 HA VAL 61 -5.002 -0.828 0.661 463 HB VAL 61 HB VAL 61 -7.485 -1.350 2.300 464 HG11 VAL 61 1HG1 VAL 61 -4.736 -2.485 2.257 465 HG12 VAL 61 2HG1 VAL 61 -5.551 -2.310 3.812 466 HG13 VAL 61 3HG1 VAL 61 -6.285 -3.282 2.537 467 HG21 VAL 61 3HG2 VAL 61 -5.296 -0.193 3.759 468 HG22 VAL 61 1HG2 VAL 61 -5.759 0.854 2.416 469 HG23 VAL 61 2HG2 VAL 61 -6.962 0.368 3.613 470 H LEU 62 H LEU 62 -4.929 -3.166 0.493 471 HA LEU 62 HA LEU 62 -7.126 -4.377 -1.019 472 HB2 LEU 62 1HB LEU 62 -4.354 -4.967 -1.908 473 HB3 LEU 62 2HB LEU 62 -5.863 -5.005 -2.818 474 HG LEU 62 HG LEU 62 -4.801 -2.365 -1.934 475 HD11 LEU 62 1HD1 LEU 62 -3.794 -2.831 -4.512 476 HD12 LEU 62 2HD1 LEU 62 -3.298 -4.208 -3.530 477 HD13 LEU 62 3HD1 LEU 62 -2.884 -2.570 -3.024 478 HD21 LEU 62 3HD2 LEU 62 -6.779 -2.056 -3.033 479 HD22 LEU 62 1HD2 LEU 62 -6.558 -3.468 -4.063 480 HD23 LEU 62 2HD2 LEU 62 -5.667 -1.985 -4.399 481 H ASP 63 H ASP 63 -7.622 -6.339 -0.289 482 HA ASP 63 HA ASP 63 -5.865 -7.586 1.673 483 HB2 ASP 63 1HB ASP 63 -8.532 -8.707 0.904 484 HB3 ASP 63 2HB ASP 63 -7.723 -8.728 2.468 485 H GLU 64 H GLU 64 -4.496 -9.136 1.118 486 HA GLU 64 HA GLU 64 -5.056 -10.700 -1.314 487 HB2 GLU 64 1HB GLU 64 -2.378 -10.153 -0.023 488 HB3 GLU 64 2HB GLU 64 -2.648 -11.031 -1.522 489 HG2 GLU 64 1HG GLU 64 -3.600 -8.217 -1.251 490 HG3 GLU 64 2HG GLU 64 -1.902 -8.550 -1.588 491 H ARG 65 H ARG 65 -4.015 -10.848 2.039 492 HA ARG 65 HA ARG 65 -3.452 -13.610 2.134 493 HB2 ARG 65 1HB ARG 65 -3.756 -13.341 4.604 494 HB3 ARG 65 2HB ARG 65 -2.636 -12.191 3.884 495 HG2 ARG 65 1HG ARG 65 -3.818 -10.770 5.197 496 HG3 ARG 65 2HG ARG 65 -4.825 -10.707 3.749 497 HD2 ARG 65 1HD ARG 65 -6.445 -12.112 4.671 498 HD3 ARG 65 2HD ARG 65 -5.346 -12.719 5.909 499 HE ARG 65 HE ARG 65 -5.928 -10.950 7.235 500 HH11 ARG 65 1HH1 ARG 65 -6.873 -10.264 3.954 501 HH12 ARG 65 2HH1 ARG 65 -7.729 -8.815 4.365 502 HH21 ARG 65 1HH2 ARG 65 -7.052 -9.045 7.789 503 HH22 ARG 65 2HH2 ARG 65 -7.831 -8.122 6.547 504 H SER 66 H SER 66 -6.366 -11.968 1.752 505 HA SER 66 HA SER 66 -8.199 -13.464 3.208 506 HB2 SER 66 1HB SER 66 -8.477 -11.372 1.603 507 HB3 SER 66 2HB SER 66 -8.917 -12.616 0.433 508 HG SER 66 HG SER 66 -10.466 -11.556 2.240 509 H LYS 67 H LYS 67 -9.962 -14.794 1.829 510 HA LYS 67 HA LYS 67 -8.456 -17.028 0.648 511 HB2 LYS 67 1HB LYS 67 -10.175 -18.494 1.394 512 HB3 LYS 67 2HB LYS 67 -9.798 -17.433 2.746 513 HG2 LYS 67 1HG LYS 67 -12.051 -16.798 0.882 514 HG3 LYS 67 2HG LYS 67 -12.262 -17.938 2.213 515 HD2 LYS 67 1HD LYS 67 -11.137 -15.967 3.584 516 HD3 LYS 67 2HD LYS 67 -11.811 -15.000 2.271 517 HE2 LYS 67 1HE LYS 67 -13.477 -15.021 3.923 518 HE3 LYS 67 2HE LYS 67 -14.008 -16.206 2.728 519 HZ1 LYS 67 3HZ LYS 67 -13.901 -16.692 5.341 520 HZ2 LYS 67 1HZ LYS 67 -12.367 -17.242 4.885 521 HZ3 LYS 67 2HZ LYS 67 -13.749 -17.898 4.163 522 H GLU 68 H GLU 68 -9.872 -18.369 -0.911 523 HA GLU 68 HA GLU 68 -11.206 -16.502 -2.761 524 HB2 GLU 68 1HB GLU 68 -9.168 -17.303 -3.748 525 HB3 GLU 68 2HB GLU 68 -9.558 -18.966 -3.332 526 HG2 GLU 68 1HG GLU 68 -11.598 -18.678 -4.838 527 HG3 GLU 68 2HG GLU 68 -10.794 -17.227 -5.434 528 H TYR 69 H TYR 69 -13.258 -16.898 -3.293 529 HA TYR 69 HA TYR 69 -14.639 -19.100 -2.069 530 HB2 TYR 69 1HB TYR 69 -15.469 -16.763 -3.762 531 HB3 TYR 69 2HB TYR 69 -16.598 -18.073 -3.441 532 HD1 TYR 69 2HD TYR 69 -14.149 -16.071 -1.438 533 HD2 TYR 69 1HD TYR 69 -18.096 -17.625 -1.757 534 HE1 TYR 69 2HE TYR 69 -14.723 -15.039 0.720 535 HE2 TYR 69 1HE TYR 69 -18.682 -16.598 0.401 536 HH TYR 69 HH TYR 69 -16.595 -14.345 1.988 537 H SER 70 H SER 70 -15.442 -20.911 -3.000 538 HA SER 70 HA SER 70 -14.234 -22.058 -5.191 539 HB2 SER 70 1HB SER 70 -16.939 -22.585 -3.956 540 HB3 SER 70 2HB SER 70 -16.273 -23.585 -5.246 541 HG SER 70 HG SER 70 -15.683 -23.570 -2.600 542 H ILE 71 H ILE 71 -14.157 -21.222 -7.174 543 HA ILE 71 HA ILE 71 -16.672 -20.698 -8.558 544 HB ILE 71 HB ILE 71 -14.414 -18.699 -8.419 545 HG12 ILE 71 1HG1 ILE 71 -17.325 -18.223 -7.820 546 HG13 ILE 71 2HG1 ILE 71 -16.226 -18.829 -6.586 547 HG21 ILE 71 1HG2 ILE 71 -15.363 -19.031 -10.716 548 HG22 ILE 71 2HG2 ILE 71 -16.918 -18.499 -10.078 549 HG23 ILE 71 3HG2 ILE 71 -15.539 -17.400 -10.069 550 HD11 ILE 71 3HD1 ILE 71 -16.632 -16.339 -6.629 551 HD12 ILE 71 1HD1 ILE 71 -14.948 -16.861 -6.614 552 HD13 ILE 71 2HD1 ILE 71 -15.688 -16.308 -8.118 553 H ALA 72 H ALA 72 -16.668 -21.547 -10.539 554 HA ALA 72 HA ALA 72 -14.587 -23.107 -11.524 555 HB1 ALA 72 3HB ALA 72 -16.648 -23.642 -12.412 556 HB2 ALA 72 1HB ALA 72 -17.056 -21.961 -12.751 557 HB3 ALA 72 2HB ALA 72 -15.883 -22.804 -13.761 558 H SER 73 H SER 73 -12.633 -22.016 -11.572 559 HA SER 73 HA SER 73 -12.432 -19.694 -13.356 560 HB2 SER 73 1HB SER 73 -11.521 -19.591 -10.987 561 HB3 SER 73 2HB SER 73 -10.289 -20.744 -11.502 562 HG SER 73 HG SER 73 -10.744 -18.319 -12.881 563 H GLY 74 H GLY 74 -11.824 -20.068 -15.376 564 HA2 GLY 74 1HA GLY 74 -10.876 -22.535 -16.327 565 HA3 GLY 74 2HA GLY 74 -10.816 -21.014 -17.207 566 HA PRO 75 HA PRO 75 -6.436 -21.167 -16.948 567 HB2 PRO 75 1HB PRO 75 -5.871 -18.533 -17.274 568 HB3 PRO 75 2HB PRO 75 -6.427 -19.567 -18.597 569 HG2 PRO 75 1HG PRO 75 -7.984 -17.640 -16.916 570 HG3 PRO 75 2HG PRO 75 -8.055 -17.910 -18.668 571 HD2 PRO 75 1HD PRO 75 -9.882 -18.948 -16.959 572 HD3 PRO 75 2HD PRO 75 -9.394 -19.773 -18.455 573 H SER 76 H SER 76 -4.864 -21.026 -15.424 574 HA SER 76 HA SER 76 -5.500 -19.493 -12.989 575 HB2 SER 76 1HB SER 76 -5.366 -22.105 -12.961 576 HB3 SER 76 2HB SER 76 -3.624 -21.836 -12.988 577 HG SER 76 HG SER 76 -4.849 -21.959 -10.863 578 H SER 77 H SER 77 -3.525 -18.889 -11.697 579 HA SER 77 HA SER 77 -1.681 -17.557 -11.549 580 HB2 SER 77 1HB SER 77 -0.754 -19.903 -12.158 581 HB3 SER 77 2HB SER 77 -0.448 -19.202 -13.747 582 HG SER 77 HG SER 77 0.603 -17.451 -12.367 583 H GLY 78 H GLY 78 -3.648 -16.480 -13.168 584 HA2 GLY 78 1HA GLY 78 -2.553 -15.607 -15.678 585 HA3 GLY 78 2HA GLY 78 -4.034 -15.031 -14.928 Start of MODEL 13 1 H1 GLY 1 H GLY 1 8.016 -17.331 -1.876 2 HA2 GLY 1 1HA GLY 1 10.457 -15.664 -1.886 3 HA3 GLY 1 2HA GLY 1 9.664 -16.167 -3.372 4 H SER 2 H SER 2 7.158 -15.631 -3.248 5 HA SER 2 HA SER 2 7.017 -12.771 -2.576 6 HB2 SER 2 1HB SER 2 6.671 -13.687 -4.994 7 HB3 SER 2 2HB SER 2 5.075 -14.154 -4.404 8 HG SER 2 HG SER 2 5.210 -11.766 -3.605 9 H SER 3 H SER 3 4.967 -15.685 -2.657 10 HA SER 3 HA SER 3 2.822 -14.642 -1.205 11 HB2 SER 3 1HB SER 3 3.815 -17.379 -1.835 12 HB3 SER 3 2HB SER 3 2.626 -17.224 -0.541 13 HG SER 3 HG SER 3 1.197 -16.320 -1.972 14 H GLY 4 H GLY 4 2.212 -14.841 0.981 15 HA2 GLY 4 1HA GLY 4 3.079 -15.909 3.165 16 HA3 GLY 4 2HA GLY 4 4.517 -14.965 2.808 17 H SER 5 H SER 5 4.552 -13.439 4.343 18 HA SER 5 HA SER 5 2.126 -11.797 4.678 19 HB2 SER 5 1HB SER 5 2.835 -11.368 6.989 20 HB3 SER 5 2HB SER 5 2.640 -13.098 6.707 21 HG SER 5 HG SER 5 5.039 -11.607 6.884 22 H SER 6 H SER 6 3.926 -11.230 2.661 23 HA SER 6 HA SER 6 5.933 -9.379 3.423 24 HB2 SER 6 1HB SER 6 4.564 -10.026 0.825 25 HB3 SER 6 2HB SER 6 5.688 -8.672 0.938 26 HG SER 6 HG SER 6 7.123 -10.375 1.945 27 H GLY 7 H GLY 7 4.777 -8.035 4.932 28 HA2 GLY 7 1HA GLY 7 3.364 -6.295 5.548 29 HA3 GLY 7 2HA GLY 7 4.201 -5.522 4.210 30 H ARG 8 H ARG 8 2.458 -4.265 3.588 31 HA ARG 8 HA ARG 8 0.237 -5.761 2.361 32 HB2 ARG 8 1HB ARG 8 -0.218 -4.355 4.529 33 HB3 ARG 8 2HB ARG 8 -0.165 -2.990 3.420 34 HG2 ARG 8 1HG ARG 8 -2.098 -3.594 2.363 35 HG3 ARG 8 2HG ARG 8 -1.892 -5.308 2.727 36 HD2 ARG 8 1HD ARG 8 -2.394 -4.827 5.099 37 HD3 ARG 8 2HD ARG 8 -2.683 -3.141 4.671 38 HE ARG 8 HE ARG 8 -4.333 -4.614 3.037 39 HH11 ARG 8 1HH1 ARG 8 -3.882 -4.214 6.466 40 HH12 ARG 8 2HH1 ARG 8 -5.541 -4.531 6.853 41 HH21 ARG 8 1HH2 ARG 8 -6.520 -5.033 3.533 42 HH22 ARG 8 2HH2 ARG 8 -7.040 -4.998 5.184 43 H ARG 9 H ARG 9 -1.026 -4.072 0.870 44 HA ARG 9 HA ARG 9 0.783 -2.299 -0.550 45 HB2 ARG 9 1HB ARG 9 -0.527 -4.634 -1.955 46 HB3 ARG 9 2HB ARG 9 0.436 -3.375 -2.717 47 HG2 ARG 9 1HG ARG 9 2.387 -4.115 -1.409 48 HG3 ARG 9 2HG ARG 9 1.409 -5.418 -0.731 49 HD2 ARG 9 1HD ARG 9 0.954 -5.927 -3.282 50 HD3 ARG 9 2HD ARG 9 2.484 -5.074 -3.485 51 HE ARG 9 HE ARG 9 3.024 -6.884 -1.542 52 HH11 ARG 9 1HH1 ARG 9 1.653 -7.115 -4.733 53 HH12 ARG 9 2HH1 ARG 9 2.250 -8.716 -5.016 54 HH21 ARG 9 1HH2 ARG 9 3.816 -8.993 -1.901 55 HH22 ARG 9 2HH2 ARG 9 3.480 -9.783 -3.405 56 H ALA 10 H ALA 10 -0.282 -0.548 -1.208 57 HA ALA 10 HA ALA 10 -3.218 -0.707 -1.415 58 HB1 ALA 10 3HB ALA 10 -1.786 1.862 -0.887 59 HB2 ALA 10 1HB ALA 10 -3.434 1.389 -0.471 60 HB3 ALA 10 2HB ALA 10 -2.071 0.722 0.428 61 H LYS 11 H LYS 11 -4.230 0.153 -3.177 62 HA LYS 11 HA LYS 11 -2.513 0.795 -5.451 63 HB2 LYS 11 1HB LYS 11 -4.334 -0.921 -5.636 64 HB3 LYS 11 2HB LYS 11 -5.505 0.372 -5.407 65 HG2 LYS 11 1HG LYS 11 -4.296 1.462 -7.435 66 HG3 LYS 11 2HG LYS 11 -3.725 -0.181 -7.737 67 HD2 LYS 11 1HD LYS 11 -5.689 -0.030 -8.992 68 HD3 LYS 11 2HD LYS 11 -6.191 -0.864 -7.518 69 HE2 LYS 11 1HE LYS 11 -7.185 1.098 -6.640 70 HE3 LYS 11 2HE LYS 11 -6.422 2.116 -7.860 71 HZ1 LYS 11 3HZ LYS 11 -8.691 1.817 -8.454 72 HZ2 LYS 11 1HZ LYS 11 -8.592 0.138 -8.282 73 HZ3 LYS 11 2HZ LYS 11 -7.769 0.908 -9.542 74 H ALA 12 H ALA 12 -2.385 2.758 -6.371 75 HA ALA 12 HA ALA 12 -3.494 5.011 -4.992 76 HB1 ALA 12 3HB ALA 12 -1.311 5.280 -5.869 77 HB2 ALA 12 1HB ALA 12 -1.819 4.761 -7.478 78 HB3 ALA 12 2HB ALA 12 -2.368 6.311 -6.835 79 H LEU 13 H LEU 13 -5.261 6.174 -5.466 80 HA LEU 13 HA LEU 13 -6.945 5.264 -7.663 81 HB2 LEU 13 1HB LEU 13 -7.621 7.351 -5.609 82 HB3 LEU 13 2HB LEU 13 -8.727 6.405 -6.603 83 HG LEU 13 HG LEU 13 -6.975 5.083 -4.559 84 HD11 LEU 13 1HD1 LEU 13 -8.325 6.985 -3.557 85 HD12 LEU 13 2HD1 LEU 13 -8.579 5.383 -2.866 86 HD13 LEU 13 3HD1 LEU 13 -9.760 6.056 -3.989 87 HD21 LEU 13 3HD2 LEU 13 -9.628 4.393 -5.818 88 HD22 LEU 13 1HD2 LEU 13 -8.810 3.441 -4.577 89 HD23 LEU 13 2HD2 LEU 13 -8.069 3.642 -6.165 90 H LEU 14 H LEU 14 -4.836 7.844 -6.880 91 HA LEU 14 HA LEU 14 -5.327 9.077 -9.448 92 HB2 LEU 14 1HB LEU 14 -5.672 11.317 -8.549 93 HB3 LEU 14 2HB LEU 14 -6.960 10.215 -8.066 94 HG LEU 14 HG LEU 14 -4.691 10.694 -6.190 95 HD11 LEU 14 1HD1 LEU 14 -5.496 12.918 -7.064 96 HD12 LEU 14 2HD1 LEU 14 -5.639 12.678 -5.322 97 HD13 LEU 14 3HD1 LEU 14 -7.064 12.534 -6.351 98 HD21 LEU 14 3HD2 LEU 14 -7.075 10.690 -4.827 99 HD22 LEU 14 1HD2 LEU 14 -6.013 9.299 -5.056 100 HD23 LEU 14 2HD2 LEU 14 -7.375 9.560 -6.148 101 H ASP 15 H ASP 15 -3.774 10.968 -9.773 102 HA ASP 15 HA ASP 15 -1.144 10.070 -9.039 103 HB2 ASP 15 1HB ASP 15 -1.086 10.882 -11.186 104 HB3 ASP 15 2HB ASP 15 -2.275 12.140 -10.856 105 H PHE 16 H PHE 16 0.119 10.797 -7.449 106 HA PHE 16 HA PHE 16 -0.565 13.346 -6.155 107 HB2 PHE 16 1HB PHE 16 -1.467 11.551 -4.761 108 HB3 PHE 16 2HB PHE 16 0.105 10.758 -4.738 109 HD1 PHE 16 1HD PHE 16 -1.439 14.051 -3.913 110 HD2 PHE 16 2HD PHE 16 1.470 11.106 -2.925 111 HE1 PHE 16 1HE PHE 16 -0.830 15.332 -1.904 112 HE2 PHE 16 2HE PHE 16 2.084 12.381 -0.913 113 HZ PHE 16 HZ PHE 16 0.933 14.498 -0.399 114 H GLU 17 H GLU 17 1.111 14.665 -6.319 115 HA GLU 17 HA GLU 17 3.806 13.542 -6.551 116 HB2 GLU 17 1HB GLU 17 2.729 16.306 -7.124 117 HB3 GLU 17 2HB GLU 17 4.426 15.868 -7.253 118 HG2 GLU 17 1HG GLU 17 3.820 14.171 -8.944 119 HG3 GLU 17 2HG GLU 17 2.151 14.732 -8.861 120 H ARG 18 H ARG 18 4.504 13.131 -4.508 121 HA ARG 18 HA ARG 18 3.990 14.329 -2.149 122 HB2 ARG 18 1HB ARG 18 6.060 13.512 -1.322 123 HB3 ARG 18 2HB ARG 18 5.558 12.392 -2.582 124 HG2 ARG 18 1HG ARG 18 7.349 14.634 -3.344 125 HG3 ARG 18 2HG ARG 18 8.030 13.294 -2.419 126 HD2 ARG 18 1HD ARG 18 7.728 11.792 -4.113 127 HD3 ARG 18 2HD ARG 18 6.327 12.643 -4.763 128 HE ARG 18 HE ARG 18 7.739 13.730 -6.177 129 HH11 ARG 18 1HH1 ARG 18 9.571 12.632 -3.427 130 HH12 ARG 18 2HH1 ARG 18 11.091 13.174 -4.059 131 HH21 ARG 18 1HH2 ARG 18 9.734 14.447 -7.019 132 HH22 ARG 18 2HH2 ARG 18 11.182 14.207 -6.102 133 H HIS 19 H HIS 19 4.802 16.044 -0.919 134 HA HIS 19 HA HIS 19 5.968 18.216 -2.518 135 HB2 HIS 19 1HB HIS 19 4.212 18.212 -0.072 136 HB3 HIS 19 2HB HIS 19 5.108 19.647 -0.562 137 HD1 HIS 19 1HD HIS 19 3.572 21.193 -1.707 138 HD2 HIS 19 2HD HIS 19 2.766 17.235 -2.677 139 HE1 HIS 19 1HE HIS 19 1.686 21.278 -3.368 140 HE2 HIS 19 2HE HIS 19 1.159 18.869 -3.875 141 H ASP 20 H ASP 20 6.079 16.850 0.770 142 HA ASP 20 HA ASP 20 8.609 18.163 1.295 143 HB2 ASP 20 1HB ASP 20 6.614 17.630 2.952 144 HB3 ASP 20 2HB ASP 20 7.467 16.098 3.128 145 H ASP 21 H ASP 21 10.538 17.039 1.879 146 HA ASP 21 HA ASP 21 11.341 15.064 0.114 147 HB2 ASP 21 1HB ASP 21 12.441 15.901 2.793 148 HB3 ASP 21 2HB ASP 21 13.228 14.680 1.798 149 H ASP 22 H ASP 22 9.663 14.775 3.129 150 HA ASP 22 HA ASP 22 10.193 11.942 3.400 151 HB2 ASP 22 1HB ASP 22 9.719 13.751 5.271 152 HB3 ASP 22 2HB ASP 22 8.042 13.325 4.946 153 H GLU 23 H GLU 23 7.453 14.020 2.539 154 HA GLU 23 HA GLU 23 5.438 12.176 2.304 155 HB2 GLU 23 1HB GLU 23 6.067 14.616 0.656 156 HB3 GLU 23 2HB GLU 23 4.620 13.658 0.376 157 HG2 GLU 23 1HG GLU 23 5.198 14.629 3.128 158 HG3 GLU 23 2HG GLU 23 4.564 15.756 1.930 159 H LEU 24 H LEU 24 4.860 10.597 0.914 160 HA LEU 24 HA LEU 24 6.796 9.905 -1.178 161 HB2 LEU 24 1HB LEU 24 6.346 8.208 0.522 162 HB3 LEU 24 2HB LEU 24 4.633 8.246 0.110 163 HG LEU 24 HG LEU 24 5.201 7.389 -2.145 164 HD11 LEU 24 1HD1 LEU 24 7.423 6.475 -2.548 165 HD12 LEU 24 2HD1 LEU 24 7.970 7.095 -0.991 166 HD13 LEU 24 3HD1 LEU 24 7.494 8.215 -2.267 167 HD21 LEU 24 3HD2 LEU 24 6.206 5.131 -1.088 168 HD22 LEU 24 1HD2 LEU 24 4.514 5.609 -0.937 169 HD23 LEU 24 2HD2 LEU 24 5.641 5.928 0.381 170 H GLY 25 H GLY 25 6.304 10.183 -3.251 171 HA2 GLY 25 1HA GLY 25 3.529 10.837 -3.948 172 HA3 GLY 25 2HA GLY 25 4.948 11.204 -4.917 173 H PHE 26 H PHE 26 2.634 10.032 -5.967 174 HA PHE 26 HA PHE 26 3.774 7.708 -7.196 175 HB2 PHE 26 1HB PHE 26 1.628 6.343 -6.585 176 HB3 PHE 26 2HB PHE 26 2.973 6.405 -5.451 177 HD1 PHE 26 2HD PHE 26 2.825 7.758 -3.419 178 HD2 PHE 26 1HD PHE 26 -0.468 7.376 -6.089 179 HE1 PHE 26 2HE PHE 26 1.316 8.615 -1.675 180 HE2 PHE 26 1HE PHE 26 -1.982 8.234 -4.349 181 HZ PHE 26 HZ PHE 26 -1.091 8.854 -2.139 182 H ARG 27 H ARG 27 1.942 6.643 -8.641 183 HA ARG 27 HA ARG 27 0.406 8.851 -9.845 184 HB2 ARG 27 1HB ARG 27 2.177 6.796 -11.065 185 HB3 ARG 27 2HB ARG 27 0.727 7.242 -11.955 186 HG2 ARG 27 1HG ARG 27 2.522 9.384 -10.920 187 HG3 ARG 27 2HG ARG 27 2.976 8.489 -12.373 188 HD2 ARG 27 1HD ARG 27 0.239 9.670 -12.109 189 HD3 ARG 27 2HD ARG 27 1.600 10.678 -12.596 190 HE ARG 27 HE ARG 27 1.688 8.475 -14.238 191 HH11 ARG 27 1HH1 ARG 27 -0.606 10.992 -13.522 192 HH12 ARG 27 2HH1 ARG 27 -1.319 10.972 -15.100 193 HH21 ARG 27 1HH2 ARG 27 0.759 8.438 -16.320 194 HH22 ARG 27 2HH2 ARG 27 -0.542 9.518 -16.691 195 H LYS 28 H LYS 28 -1.444 8.066 -11.212 196 HA LYS 28 HA LYS 28 -3.214 6.542 -9.666 197 HB2 LYS 28 1HB LYS 28 -3.689 8.257 -11.549 198 HB3 LYS 28 2HB LYS 28 -3.538 6.883 -12.635 199 HG2 LYS 28 1HG LYS 28 -5.284 5.764 -11.108 200 HG3 LYS 28 2HG LYS 28 -5.598 7.403 -10.530 201 HD2 LYS 28 1HD LYS 28 -5.761 7.965 -13.073 202 HD3 LYS 28 2HD LYS 28 -6.034 6.230 -13.246 203 HE2 LYS 28 1HE LYS 28 -8.169 7.267 -13.073 204 HE3 LYS 28 2HE LYS 28 -7.863 6.443 -11.544 205 HZ1 LYS 28 3HZ LYS 28 -7.341 8.495 -10.505 206 HZ2 LYS 28 1HZ LYS 28 -8.795 8.729 -11.339 207 HZ3 LYS 28 2HZ LYS 28 -7.349 9.333 -11.975 208 H ASN 29 H ASN 29 -3.957 4.447 -9.809 209 HA ASN 29 HA ASN 29 -3.858 2.203 -10.167 210 HB2 ASN 29 1HB ASN 29 -3.036 3.268 -12.856 211 HB3 ASN 29 2HB ASN 29 -3.061 1.534 -12.546 212 HD21 ASN 29 1HD2 ASN 29 -5.274 3.822 -11.105 213 HD22 ASN 29 2HD2 ASN 29 -6.686 3.270 -11.930 214 H ASP 30 H ASP 30 -1.753 3.264 -8.738 215 HA ASP 30 HA ASP 30 0.515 1.613 -9.644 216 HB2 ASP 30 1HB ASP 30 0.529 4.254 -8.179 217 HB3 ASP 30 2HB ASP 30 1.947 3.216 -8.306 218 H ILE 31 H ILE 31 1.481 0.270 -8.177 219 HA ILE 31 HA ILE 31 0.005 -0.154 -5.688 220 HB ILE 31 HB ILE 31 2.140 -1.926 -6.869 221 HG12 ILE 31 1HG1 ILE 31 0.130 -1.512 -8.380 222 HG13 ILE 31 2HG1 ILE 31 0.463 -3.191 -7.969 223 HG21 ILE 31 1HG2 ILE 31 0.275 -3.411 -5.422 224 HG22 ILE 31 2HG2 ILE 31 1.920 -3.003 -4.940 225 HG23 ILE 31 3HG2 ILE 31 0.576 -1.971 -4.450 226 HD11 ILE 31 3HD1 ILE 31 -1.967 -2.156 -7.862 227 HD12 ILE 31 1HD1 ILE 31 -1.428 -3.406 -6.740 228 HD13 ILE 31 2HD1 ILE 31 -1.432 -1.714 -6.241 229 H ILE 32 H ILE 32 0.877 0.083 -3.701 230 HA ILE 32 HA ILE 32 3.745 0.698 -3.504 231 HB ILE 32 HB ILE 32 1.584 2.215 -2.041 232 HG12 ILE 32 1HG1 ILE 32 3.412 3.467 -4.048 233 HG13 ILE 32 2HG1 ILE 32 2.017 2.565 -4.627 234 HG21 ILE 32 1HG2 ILE 32 4.377 3.177 -2.198 235 HG22 ILE 32 2HG2 ILE 32 3.201 3.315 -0.893 236 HG23 ILE 32 3HG2 ILE 32 4.060 1.796 -1.149 237 HD11 ILE 32 3HD1 ILE 32 0.591 4.175 -4.045 238 HD12 ILE 32 1HD1 ILE 32 1.392 4.463 -2.501 239 HD13 ILE 32 2HD1 ILE 32 2.023 5.202 -3.974 240 H THR 33 H THR 33 4.747 -0.477 -2.013 241 HA THR 33 HA THR 33 3.294 -2.294 -0.352 242 HB THR 33 HB THR 33 6.245 -1.633 -0.417 243 HG1 THR 33 1HG THR 33 6.390 -3.427 -1.717 244 HG21 THR 33 3HG2 THR 33 5.902 -4.200 0.589 245 HG22 THR 33 1HG2 THR 33 4.679 -3.240 1.421 246 HG23 THR 33 2HG2 THR 33 6.377 -2.769 1.502 247 H ILE 34 H ILE 34 2.635 -2.050 1.685 248 HA ILE 34 HA ILE 34 3.208 0.453 3.050 249 HB ILE 34 HB ILE 34 1.397 -1.781 3.962 250 HG12 ILE 34 1HG1 ILE 34 0.795 0.657 2.279 251 HG13 ILE 34 2HG1 ILE 34 0.627 -1.027 1.797 252 HG21 ILE 34 1HG2 ILE 34 2.222 0.730 5.104 253 HG22 ILE 34 2HG2 ILE 34 0.478 0.699 4.854 254 HG23 ILE 34 3HG2 ILE 34 1.252 -0.561 5.814 255 HD11 ILE 34 3HD1 ILE 34 -0.951 -0.876 4.032 256 HD12 ILE 34 1HD1 ILE 34 -1.201 0.690 3.261 257 HD13 ILE 34 2HD1 ILE 34 -1.509 -0.796 2.361 258 H ILE 35 H ILE 35 4.850 0.613 4.414 259 HA ILE 35 HA ILE 35 6.034 -1.786 5.564 260 HB ILE 35 HB ILE 35 6.973 1.066 5.869 261 HG12 ILE 35 1HG1 ILE 35 6.824 0.336 3.478 262 HG13 ILE 35 2HG1 ILE 35 8.463 0.692 4.012 263 HG21 ILE 35 1HG2 ILE 35 8.113 -0.098 7.479 264 HG22 ILE 35 2HG2 ILE 35 8.078 -1.607 6.570 265 HG23 ILE 35 3HG2 ILE 35 9.191 -0.322 6.103 266 HD11 ILE 35 3HD1 ILE 35 8.404 -1.932 4.510 267 HD12 ILE 35 1HD1 ILE 35 7.249 -1.860 3.180 268 HD13 ILE 35 2HD1 ILE 35 8.889 -1.250 2.959 269 H SER 36 H SER 36 5.213 1.439 6.861 270 HA SER 36 HA SER 36 4.128 0.126 9.253 271 HB2 SER 36 1HB SER 36 6.582 1.119 9.415 272 HB3 SER 36 2HB SER 36 5.708 2.637 9.613 273 HG SER 36 HG SER 36 5.075 2.024 11.533 274 H GLN 37 H GLN 37 2.074 0.718 9.381 275 HA GLN 37 HA GLN 37 1.137 3.169 8.180 276 HB2 GLN 37 1HB GLN 37 -0.325 1.031 9.739 277 HB3 GLN 37 2HB GLN 37 -1.097 2.389 8.932 278 HG2 GLN 37 1HG GLN 37 -0.615 1.565 6.813 279 HG3 GLN 37 2HG GLN 37 0.645 0.489 7.415 280 HE21 GLN 37 1HE2 GLN 37 -2.839 1.069 7.576 281 HE22 GLN 37 2HE2 GLN 37 -3.289 -0.595 7.706 282 H LYS 38 H LYS 38 2.115 4.787 9.424 283 HA LYS 38 HA LYS 38 2.341 5.094 12.100 284 HB2 LYS 38 1HB LYS 38 2.923 6.742 10.215 285 HB3 LYS 38 2HB LYS 38 1.287 7.355 10.415 286 HG2 LYS 38 1HG LYS 38 1.830 7.752 12.829 287 HG3 LYS 38 2HG LYS 38 3.506 7.353 12.445 288 HD2 LYS 38 1HD LYS 38 3.348 9.159 10.650 289 HD3 LYS 38 2HD LYS 38 1.853 9.659 11.444 290 HE2 LYS 38 1HE LYS 38 3.029 10.082 13.500 291 HE3 LYS 38 2HE LYS 38 4.521 9.427 12.828 292 HZ1 LYS 38 3HZ LYS 38 3.127 11.819 11.759 293 HZ2 LYS 38 1HZ LYS 38 4.645 11.236 11.296 294 HZ3 LYS 38 2HZ LYS 38 4.425 11.883 12.842 295 H ASP 39 H ASP 39 -0.547 6.088 10.259 296 HA ASP 39 HA ASP 39 -2.225 5.362 12.521 297 HB2 ASP 39 1HB ASP 39 -3.414 7.688 12.108 298 HB3 ASP 39 2HB ASP 39 -2.058 7.546 13.223 299 H GLU 40 H GLU 40 -4.631 6.007 11.857 300 HA GLU 40 HA GLU 40 -5.220 4.453 9.563 301 HB2 GLU 40 1HB GLU 40 -6.692 4.710 11.583 302 HB3 GLU 40 2HB GLU 40 -7.086 6.328 11.021 303 HG2 GLU 40 1HG GLU 40 -8.088 5.438 9.019 304 HG3 GLU 40 2HG GLU 40 -7.594 3.805 9.463 305 H HIS 41 H HIS 41 -4.078 7.534 9.759 306 HA HIS 41 HA HIS 41 -5.390 8.326 7.241 307 HB2 HIS 41 1HB HIS 41 -4.555 9.917 9.630 308 HB3 HIS 41 2HB HIS 41 -4.512 10.683 8.045 309 HD1 HIS 41 1HD HIS 41 -6.499 12.179 8.081 310 HD2 HIS 41 2HD HIS 41 -7.390 8.361 9.452 311 HE1 HIS 41 1HE HIS 41 -8.990 12.151 8.415 312 HE2 HIS 41 2HE HIS 41 -9.497 9.858 9.327 313 H CYS 42 H CYS 42 -2.360 8.590 9.087 314 HA CYS 42 HA CYS 42 -0.908 9.057 6.588 315 HB2 CYS 42 1HB CYS 42 -0.162 10.632 8.111 316 HB3 CYS 42 2HB CYS 42 -0.308 9.534 9.478 317 HG CYS 42 HG CYS 42 2.401 10.270 8.973 318 H TRP 43 H TRP 43 -0.057 7.376 5.575 319 HA TRP 43 HA TRP 43 0.801 5.056 7.179 320 HB2 TRP 43 1HB TRP 43 -0.385 5.138 4.401 321 HB3 TRP 43 2HB TRP 43 0.359 3.704 5.103 322 HD1 TRP 43 HD TRP 43 -1.157 4.834 8.030 323 HE1 TRP 43 1HE TRP 43 -3.564 3.979 8.354 324 HE3 TRP 43 3HE TRP 43 -2.160 3.392 3.229 325 HZ2 TRP 43 2HZ TRP 43 -5.614 2.843 6.783 326 HZ3 TRP 43 3HZ TRP 43 -4.367 2.430 2.722 327 HH2 TRP 43 HH TRP 43 -6.057 2.161 4.465 328 H VAL 44 H VAL 44 2.677 3.930 6.487 329 HA VAL 44 HA VAL 44 4.461 5.543 4.779 330 HB VAL 44 HB VAL 44 5.320 3.724 7.030 331 HG11 VAL 44 1HG1 VAL 44 7.489 4.746 6.752 332 HG12 VAL 44 2HG1 VAL 44 6.954 4.079 5.209 333 HG13 VAL 44 3HG1 VAL 44 6.860 5.816 5.500 334 HG21 VAL 44 3HG2 VAL 44 4.326 6.455 7.073 335 HG22 VAL 44 1HG2 VAL 44 4.627 5.339 8.405 336 HG23 VAL 44 2HG2 VAL 44 5.946 6.313 7.755 337 H GLY 45 H GLY 45 4.589 4.573 2.853 338 HA2 GLY 45 1HA GLY 45 4.940 1.637 2.816 339 HA3 GLY 45 2HA GLY 45 4.095 2.526 1.557 340 H GLU 46 H GLU 46 5.565 1.482 0.070 341 HA GLU 46 HA GLU 46 8.010 3.045 -0.251 342 HB2 GLU 46 1HB GLU 46 8.389 0.755 0.947 343 HB3 GLU 46 2HB GLU 46 8.159 0.080 -0.660 344 HG2 GLU 46 1HG GLU 46 10.203 2.178 0.025 345 HG3 GLU 46 2HG GLU 46 10.529 0.447 -0.051 346 H LEU 47 H LEU 47 8.616 3.367 -2.362 347 HA LEU 47 HA LEU 47 7.593 1.848 -4.540 348 HB2 LEU 47 1HB LEU 47 5.570 3.107 -3.921 349 HB3 LEU 47 2HB LEU 47 6.455 4.614 -4.149 350 HG LEU 47 HG LEU 47 6.794 3.764 -6.574 351 HD11 LEU 47 1HD1 LEU 47 5.482 1.560 -5.587 352 HD12 LEU 47 2HD1 LEU 47 5.681 1.970 -7.291 353 HD13 LEU 47 3HD1 LEU 47 4.209 2.435 -6.438 354 HD21 LEU 47 3HD2 LEU 47 5.058 5.103 -7.231 355 HD22 LEU 47 1HD2 LEU 47 5.211 5.597 -5.545 356 HD23 LEU 47 2HD2 LEU 47 3.952 4.456 -6.017 357 H ASN 48 H ASN 48 8.821 2.148 -6.320 358 HA ASN 48 HA ASN 48 10.618 2.816 -7.554 359 HB2 ASN 48 1HB ASN 48 9.355 5.439 -6.774 360 HB3 ASN 48 2HB ASN 48 10.770 5.373 -7.820 361 HD21 ASN 48 1HD2 ASN 48 7.585 5.730 -7.895 362 HD22 ASN 48 2HD2 ASN 48 7.213 5.016 -9.425 363 H GLY 49 H GLY 49 11.230 2.123 -4.889 364 HA2 GLY 49 1HA GLY 49 13.037 2.179 -3.469 365 HA3 GLY 49 2HA GLY 49 13.844 3.176 -4.670 366 H LEU 50 H LEU 50 10.825 4.007 -3.070 367 HA LEU 50 HA LEU 50 12.243 6.033 -1.485 368 HB2 LEU 50 1HB LEU 50 9.672 6.579 -2.948 369 HB3 LEU 50 2HB LEU 50 10.678 7.730 -2.074 370 HG LEU 50 HG LEU 50 11.495 6.331 -4.618 371 HD11 LEU 50 1HD1 LEU 50 11.189 9.110 -4.984 372 HD12 LEU 50 2HD1 LEU 50 9.713 8.522 -4.219 373 HD13 LEU 50 3HD1 LEU 50 10.270 7.802 -5.730 374 HD21 LEU 50 3HD2 LEU 50 13.427 7.577 -4.579 375 HD22 LEU 50 1HD2 LEU 50 13.202 7.247 -2.862 376 HD23 LEU 50 2HD2 LEU 50 12.738 8.814 -3.525 377 H ARG 51 H ARG 51 11.668 6.021 0.584 378 HA ARG 51 HA ARG 51 9.098 4.772 1.308 379 HB2 ARG 51 1HB ARG 51 11.437 3.708 1.956 380 HB3 ARG 51 2HB ARG 51 11.357 4.891 3.253 381 HG2 ARG 51 1HG ARG 51 9.151 3.960 3.897 382 HG3 ARG 51 2HG ARG 51 9.370 2.707 2.674 383 HD2 ARG 51 1HD ARG 51 10.003 1.905 4.893 384 HD3 ARG 51 2HD ARG 51 11.388 1.942 3.804 385 HE ARG 51 HE ARG 51 10.977 3.567 6.162 386 HH11 ARG 51 1HH1 ARG 51 12.756 3.113 3.204 387 HH12 ARG 51 2HH1 ARG 51 14.103 4.076 3.714 388 HH21 ARG 51 1HH2 ARG 51 12.745 4.836 6.845 389 HH22 ARG 51 2HH2 ARG 51 14.096 5.056 5.786 390 H GLY 52 H GLY 52 7.674 6.095 2.217 391 HA2 GLY 52 1HA GLY 52 8.432 8.029 4.196 392 HA3 GLY 52 2HA GLY 52 7.987 8.779 2.669 393 H TRP 53 H TRP 53 6.385 9.696 4.331 394 HA TRP 53 HA TRP 53 4.137 7.911 4.845 395 HB2 TRP 53 1HB TRP 53 3.287 9.605 6.286 396 HB3 TRP 53 2HB TRP 53 5.023 9.535 6.575 397 HD1 TRP 53 HD TRP 53 6.465 11.500 5.101 398 HE1 TRP 53 1HE TRP 53 5.834 13.976 4.795 399 HE3 TRP 53 3HE TRP 53 1.476 11.207 6.180 400 HZ2 TRP 53 2HZ TRP 53 3.527 15.591 4.984 401 HZ3 TRP 53 3HZ TRP 53 0.128 13.263 6.095 402 HH2 TRP 53 HH TRP 53 1.136 15.410 5.509 403 H PHE 54 H PHE 54 1.916 8.759 4.402 404 HA PHE 54 HA PHE 54 1.452 10.737 2.447 405 HB2 PHE 54 1HB PHE 54 0.890 9.362 0.522 406 HB3 PHE 54 2HB PHE 54 2.564 9.074 0.985 407 HD1 PHE 54 1HD PHE 54 -0.867 7.700 1.332 408 HD2 PHE 54 2HD PHE 54 3.316 6.915 1.403 409 HE1 PHE 54 1HE PHE 54 -1.325 5.286 1.460 410 HE2 PHE 54 2HE PHE 54 2.864 4.499 1.529 411 HZ PHE 54 HZ PHE 54 0.541 3.682 1.558 412 HA PRO 55 HA PRO 55 -2.631 10.229 3.979 413 HB2 PRO 55 1HB PRO 55 -4.080 11.254 1.927 414 HB3 PRO 55 2HB PRO 55 -3.111 12.257 3.012 415 HG2 PRO 55 1HG PRO 55 -2.453 11.253 0.270 416 HG3 PRO 55 2HG PRO 55 -2.183 12.860 0.967 417 HD2 PRO 55 1HD PRO 55 -0.214 11.012 0.762 418 HD3 PRO 55 2HD PRO 55 -0.281 12.194 2.085 419 H ALA 56 H ALA 56 -3.339 8.178 4.169 420 HA ALA 56 HA ALA 56 -3.440 6.213 2.230 421 HB1 ALA 56 3HB ALA 56 -5.085 5.082 3.690 422 HB2 ALA 56 1HB ALA 56 -3.683 5.691 4.572 423 HB3 ALA 56 2HB ALA 56 -5.215 6.560 4.642 424 H LYS 57 H LYS 57 -5.916 8.584 3.109 425 HA LYS 57 HA LYS 57 -8.096 7.711 1.727 426 HB2 LYS 57 1HB LYS 57 -8.702 10.097 1.405 427 HB3 LYS 57 2HB LYS 57 -8.175 9.734 3.043 428 HG2 LYS 57 1HG LYS 57 -5.908 10.591 2.397 429 HG3 LYS 57 2HG LYS 57 -6.629 11.146 0.884 430 HD2 LYS 57 1HD LYS 57 -7.866 11.919 3.495 431 HD3 LYS 57 2HD LYS 57 -6.435 12.776 2.913 432 HE2 LYS 57 1HE LYS 57 -7.540 13.628 1.065 433 HE3 LYS 57 2HE LYS 57 -8.774 12.369 1.096 434 HZ1 LYS 57 3HZ LYS 57 -9.887 13.399 2.838 435 HZ2 LYS 57 1HZ LYS 57 -9.422 14.698 1.859 436 HZ3 LYS 57 2HZ LYS 57 -8.559 14.353 3.272 437 H PHE 58 H PHE 58 -5.282 9.386 0.391 438 HA PHE 58 HA PHE 58 -6.221 9.739 -2.217 439 HB2 PHE 58 1HB PHE 58 -3.537 9.617 -0.934 440 HB3 PHE 58 2HB PHE 58 -3.605 9.465 -2.688 441 HD1 PHE 58 2HD PHE 58 -4.813 11.630 0.090 442 HD2 PHE 58 1HD PHE 58 -3.643 11.366 -3.994 443 HE1 PHE 58 2HE PHE 58 -4.972 14.076 -0.108 444 HE2 PHE 58 1HE PHE 58 -3.800 13.814 -4.199 445 HZ PHE 58 HZ PHE 58 -4.465 15.171 -2.256 446 H VAL 59 H VAL 59 -4.831 6.949 -0.623 447 HA VAL 59 HA VAL 59 -5.114 5.416 -3.125 448 HB VAL 59 HB VAL 59 -3.461 3.878 -2.344 449 HG11 VAL 59 1HG1 VAL 59 -2.427 5.694 -3.404 450 HG12 VAL 59 2HG1 VAL 59 -2.697 6.765 -2.026 451 HG13 VAL 59 3HG1 VAL 59 -1.509 5.466 -1.917 452 HG21 VAL 59 3HG2 VAL 59 -2.308 4.273 -0.143 453 HG22 VAL 59 1HG2 VAL 59 -3.605 5.403 0.247 454 HG23 VAL 59 2HG2 VAL 59 -3.974 3.700 -0.030 455 H GLU 60 H GLU 60 -5.306 2.918 -2.428 456 HA GLU 60 HA GLU 60 -7.350 2.689 -0.335 457 HB2 GLU 60 1HB GLU 60 -8.405 2.895 -2.611 458 HB3 GLU 60 2HB GLU 60 -7.605 1.393 -3.050 459 HG2 GLU 60 1HG GLU 60 -9.825 0.849 -2.454 460 HG3 GLU 60 2HG GLU 60 -8.790 0.304 -1.136 461 H VAL 61 H VAL 61 -7.229 0.877 0.880 462 HA VAL 61 HA VAL 61 -4.876 -0.701 0.766 463 HB VAL 61 HB VAL 61 -7.410 -1.178 2.343 464 HG11 VAL 61 1HG1 VAL 61 -6.299 -3.217 2.406 465 HG12 VAL 61 2HG1 VAL 61 -4.704 -2.461 2.394 466 HG13 VAL 61 3HG1 VAL 61 -5.701 -2.398 3.848 467 HG21 VAL 61 3HG2 VAL 61 -6.418 0.009 4.124 468 HG22 VAL 61 1HG2 VAL 61 -4.845 0.046 3.326 469 HG23 VAL 61 2HG2 VAL 61 -6.178 1.013 2.694 470 H LEU 62 H LEU 62 -4.764 -3.030 0.554 471 HA LEU 62 HA LEU 62 -6.919 -4.274 -0.982 472 HB2 LEU 62 1HB LEU 62 -4.144 -4.728 -1.936 473 HB3 LEU 62 2HB LEU 62 -5.666 -4.799 -2.821 474 HG LEU 62 HG LEU 62 -4.629 -2.159 -1.883 475 HD11 LEU 62 1HD1 LEU 62 -2.942 -2.048 -3.337 476 HD12 LEU 62 2HD1 LEU 62 -3.867 -2.850 -4.606 477 HD13 LEU 62 3HD1 LEU 62 -3.028 -3.809 -3.386 478 HD21 LEU 62 3HD2 LEU 62 -6.625 -1.731 -2.848 479 HD22 LEU 62 1HD2 LEU 62 -6.596 -3.206 -3.814 480 HD23 LEU 62 2HD2 LEU 62 -5.675 -1.795 -4.334 481 H ASP 63 H ASP 63 -7.337 -6.251 -0.257 482 HA ASP 63 HA ASP 63 -5.449 -7.498 1.589 483 HB2 ASP 63 1HB ASP 63 -8.299 -8.269 0.917 484 HB3 ASP 63 2HB ASP 63 -7.314 -8.963 2.202 485 H GLU 64 H GLU 64 -4.870 -7.475 -1.245 486 HA GLU 64 HA GLU 64 -4.382 -8.861 -3.011 487 HB2 GLU 64 1HB GLU 64 -3.636 -10.614 -0.663 488 HB3 GLU 64 2HB GLU 64 -3.100 -10.865 -2.317 489 HG2 GLU 64 1HG GLU 64 -2.251 -8.384 -2.055 490 HG3 GLU 64 2HG GLU 64 -2.273 -8.809 -0.344 491 H ARG 65 H ARG 65 -7.112 -8.958 -2.427 492 HA ARG 65 HA ARG 65 -8.997 -10.273 -2.524 493 HB2 ARG 65 1HB ARG 65 -7.208 -11.282 -4.725 494 HB3 ARG 65 2HB ARG 65 -8.854 -11.869 -4.528 495 HG2 ARG 65 1HG ARG 65 -9.676 -9.556 -4.750 496 HG3 ARG 65 2HG ARG 65 -8.016 -9.021 -5.032 497 HD2 ARG 65 1HD ARG 65 -7.880 -10.388 -7.025 498 HD3 ARG 65 2HD ARG 65 -9.489 -11.042 -6.718 499 HE ARG 65 HE ARG 65 -9.742 -8.280 -6.865 500 HH11 ARG 65 1HH1 ARG 65 -8.809 -10.916 -8.940 501 HH12 ARG 65 2HH1 ARG 65 -9.342 -10.134 -10.392 502 HH21 ARG 65 1HH2 ARG 65 -10.446 -7.241 -8.768 503 HH22 ARG 65 2HH2 ARG 65 -10.273 -8.043 -10.293 504 H SER 66 H SER 66 -7.642 -11.150 -0.384 505 HA SER 66 HA SER 66 -7.762 -14.087 -0.611 506 HB2 SER 66 1HB SER 66 -5.472 -13.126 -0.146 507 HB3 SER 66 2HB SER 66 -6.105 -12.547 1.394 508 HG SER 66 HG SER 66 -6.053 -14.515 2.157 509 H LYS 67 H LYS 67 -10.040 -13.909 -0.141 510 HA LYS 67 HA LYS 67 -10.618 -14.273 2.605 511 HB2 LYS 67 1HB LYS 67 -11.931 -12.373 3.115 512 HB3 LYS 67 2HB LYS 67 -10.438 -11.745 2.430 513 HG2 LYS 67 1HG LYS 67 -12.851 -12.180 0.714 514 HG3 LYS 67 2HG LYS 67 -12.669 -10.716 1.683 515 HD2 LYS 67 1HD LYS 67 -10.422 -11.600 -0.073 516 HD3 LYS 67 2HD LYS 67 -11.815 -10.791 -0.794 517 HE2 LYS 67 1HE LYS 67 -10.434 -9.620 1.592 518 HE3 LYS 67 2HE LYS 67 -9.784 -9.376 -0.028 519 HZ1 LYS 67 3HZ LYS 67 -11.148 -7.582 0.129 520 HZ2 LYS 67 1HZ LYS 67 -12.252 -8.346 1.159 521 HZ3 LYS 67 2HZ LYS 67 -12.261 -8.692 -0.497 522 H GLU 68 H GLU 68 -13.168 -14.227 2.884 523 HA GLU 68 HA GLU 68 -14.306 -15.504 0.483 524 HB2 GLU 68 1HB GLU 68 -13.809 -17.008 2.474 525 HB3 GLU 68 2HB GLU 68 -15.083 -16.145 3.325 526 HG2 GLU 68 1HG GLU 68 -16.254 -17.928 2.533 527 HG3 GLU 68 2HG GLU 68 -16.497 -16.784 1.215 528 H TYR 69 H TYR 69 -16.287 -14.869 -0.195 529 HA TYR 69 HA TYR 69 -17.444 -12.543 1.144 530 HB2 TYR 69 1HB TYR 69 -17.848 -13.738 -1.598 531 HB3 TYR 69 2HB TYR 69 -18.830 -12.415 -0.980 532 HD1 TYR 69 2HD TYR 69 -15.187 -13.258 -1.189 533 HD2 TYR 69 1HD TYR 69 -18.223 -10.323 -1.713 534 HE1 TYR 69 2HE TYR 69 -13.492 -11.650 -1.955 535 HE2 TYR 69 1HE TYR 69 -16.535 -8.707 -2.481 536 HH TYR 69 HH TYR 69 -13.639 -8.676 -1.944 537 H SER 70 H SER 70 -19.874 -12.393 1.130 538 HA SER 70 HA SER 70 -21.144 -15.000 1.605 539 HB2 SER 70 1HB SER 70 -21.181 -12.598 3.438 540 HB3 SER 70 2HB SER 70 -22.348 -13.915 3.559 541 HG SER 70 HG SER 70 -20.868 -14.789 4.771 542 H ILE 71 H ILE 71 -21.457 -11.606 0.796 543 HA ILE 71 HA ILE 71 -23.980 -12.221 -0.566 544 HB ILE 71 HB ILE 71 -24.967 -10.097 0.158 545 HG12 ILE 71 1HG1 ILE 71 -22.811 -9.840 2.232 546 HG13 ILE 71 2HG1 ILE 71 -22.599 -9.122 0.638 547 HG21 ILE 71 1HG2 ILE 71 -25.345 -12.231 1.405 548 HG22 ILE 71 2HG2 ILE 71 -24.107 -11.714 2.550 549 HG23 ILE 71 3HG2 ILE 71 -25.586 -10.770 2.364 550 HD11 ILE 71 3HD1 ILE 71 -24.964 -8.099 1.156 551 HD12 ILE 71 1HD1 ILE 71 -24.463 -8.380 2.824 552 HD13 ILE 71 2HD1 ILE 71 -23.486 -7.359 1.768 553 H ALA 72 H ALA 72 -24.432 -10.930 -2.380 554 HA ALA 72 HA ALA 72 -22.146 -9.333 -3.339 555 HB1 ALA 72 3HB ALA 72 -22.974 -9.983 -5.647 556 HB2 ALA 72 1HB ALA 72 -22.227 -11.261 -4.688 557 HB3 ALA 72 2HB ALA 72 -23.982 -11.181 -4.836 558 H SER 73 H SER 73 -22.640 -7.543 -4.739 559 HA SER 73 HA SER 73 -24.806 -5.977 -3.802 560 HB2 SER 73 1HB SER 73 -24.056 -4.304 -5.403 561 HB3 SER 73 2HB SER 73 -22.656 -5.026 -4.611 562 HG SER 73 HG SER 73 -23.261 -4.953 -7.222 563 H GLY 74 H GLY 74 -26.300 -4.831 -5.425 564 HA2 GLY 74 1HA GLY 74 -27.179 -6.548 -7.613 565 HA3 GLY 74 2HA GLY 74 -28.313 -6.331 -6.290 566 HA PRO 75 HA PRO 75 -29.853 -2.763 -8.333 567 HB2 PRO 75 1HB PRO 75 -30.917 -1.444 -6.213 568 HB3 PRO 75 2HB PRO 75 -31.648 -2.895 -6.907 569 HG2 PRO 75 1HG PRO 75 -29.913 -2.623 -4.483 570 HG3 PRO 75 2HG PRO 75 -31.384 -3.590 -4.703 571 HD2 PRO 75 1HD PRO 75 -28.901 -4.665 -4.829 572 HD3 PRO 75 2HD PRO 75 -30.259 -5.281 -5.791 573 H SER 76 H SER 76 -27.439 -2.594 -5.897 574 HA SER 76 HA SER 76 -25.759 -1.113 -5.492 575 HB2 SER 76 1HB SER 76 -24.944 0.146 -7.253 576 HB3 SER 76 2HB SER 76 -25.944 -1.014 -8.127 577 HG SER 76 HG SER 76 -27.082 0.602 -8.807 578 H SER 77 H SER 77 -28.257 -0.764 -4.230 579 HA SER 77 HA SER 77 -28.359 2.169 -3.945 580 HB2 SER 77 1HB SER 77 -30.467 1.375 -4.821 581 HB3 SER 77 2HB SER 77 -30.564 0.130 -3.575 582 HG SER 77 HG SER 77 -31.102 2.844 -3.426 583 H GLY 78 H GLY 78 -27.524 2.873 -2.104 584 HA2 GLY 78 1HA GLY 78 -27.050 3.036 0.144 585 HA3 GLY 78 2HA GLY 78 -28.226 1.761 0.423 Start of MODEL 14 1 H1 GLY 1 H GLY 1 3.633 -17.103 14.075 2 HA2 GLY 1 1HA GLY 1 4.878 -19.392 15.473 3 HA3 GLY 1 2HA GLY 1 4.701 -19.334 13.726 4 H SER 2 H SER 2 6.083 -18.054 12.504 5 HA SER 2 HA SER 2 8.359 -16.904 13.983 6 HB2 SER 2 1HB SER 2 9.751 -17.541 11.983 7 HB3 SER 2 2HB SER 2 9.131 -18.908 12.907 8 HG SER 2 HG SER 2 7.720 -19.363 11.324 9 H SER 3 H SER 3 6.835 -16.850 10.757 10 HA SER 3 HA SER 3 7.841 -14.469 9.829 11 HB2 SER 3 1HB SER 3 6.315 -16.146 8.631 12 HB3 SER 3 2HB SER 3 4.970 -15.269 9.361 13 HG SER 3 HG SER 3 6.231 -14.661 7.155 14 H GLY 4 H GLY 4 7.931 -12.603 10.900 15 HA2 GLY 4 1HA GLY 4 5.990 -11.838 12.860 16 HA3 GLY 4 2HA GLY 4 7.326 -10.855 12.277 17 H SER 5 H SER 5 6.899 -9.207 10.937 18 HA SER 5 HA SER 5 4.472 -8.070 10.611 19 HB2 SER 5 1HB SER 5 6.945 -7.985 8.930 20 HB3 SER 5 2HB SER 5 5.490 -7.182 8.342 21 HG SER 5 HG SER 5 7.061 -6.609 10.591 22 H SER 6 H SER 6 2.978 -7.878 8.826 23 HA SER 6 HA SER 6 2.541 -10.465 7.525 24 HB2 SER 6 1HB SER 6 0.237 -9.723 7.200 25 HB3 SER 6 2HB SER 6 0.700 -9.522 8.891 26 HG SER 6 HG SER 6 -0.418 -7.705 7.739 27 H GLY 7 H GLY 7 2.791 -7.011 6.809 28 HA2 GLY 7 1HA GLY 7 3.530 -5.987 4.871 29 HA3 GLY 7 2HA GLY 7 3.774 -7.578 4.167 30 H ARG 8 H ARG 8 2.212 -4.837 3.633 31 HA ARG 8 HA ARG 8 0.019 -6.199 2.237 32 HB2 ARG 8 1HB ARG 8 -0.193 -3.947 4.193 33 HB3 ARG 8 2HB ARG 8 -1.307 -4.001 2.833 34 HG2 ARG 8 1HG ARG 8 -1.767 -6.420 3.588 35 HG3 ARG 8 2HG ARG 8 -1.015 -5.922 5.105 36 HD2 ARG 8 1HD ARG 8 -2.667 -4.306 5.516 37 HD3 ARG 8 2HD ARG 8 -3.240 -4.345 3.851 38 HE ARG 8 HE ARG 8 -4.540 -6.166 4.367 39 HH11 ARG 8 1HH1 ARG 8 -2.269 -5.585 6.941 40 HH12 ARG 8 2HH1 ARG 8 -3.006 -6.722 8.023 41 HH21 ARG 8 1HH2 ARG 8 -5.518 -7.664 5.781 42 HH22 ARG 8 2HH2 ARG 8 -4.853 -7.904 7.362 43 H ARG 9 H ARG 9 -1.153 -4.285 0.874 44 HA ARG 9 HA ARG 9 0.804 -2.478 -0.284 45 HB2 ARG 9 1HB ARG 9 -0.494 -4.705 -1.861 46 HB3 ARG 9 2HB ARG 9 0.307 -3.324 -2.597 47 HG2 ARG 9 1HG ARG 9 2.362 -4.012 -1.261 48 HG3 ARG 9 2HG ARG 9 1.516 -5.534 -0.974 49 HD2 ARG 9 1HD ARG 9 1.696 -4.526 -3.765 50 HD3 ARG 9 2HD ARG 9 3.145 -5.211 -3.033 51 HE ARG 9 HE ARG 9 1.293 -7.092 -2.519 52 HH11 ARG 9 1HH1 ARG 9 2.190 -5.410 -5.432 53 HH12 ARG 9 2HH1 ARG 9 1.769 -6.726 -6.478 54 HH21 ARG 9 1HH2 ARG 9 0.735 -8.831 -3.884 55 HH22 ARG 9 2HH2 ARG 9 0.940 -8.671 -5.595 56 H ALA 10 H ALA 10 -0.107 -0.662 -1.088 57 HA ALA 10 HA ALA 10 -3.053 -0.562 -1.136 58 HB1 ALA 10 3HB ALA 10 -2.832 1.839 -0.635 59 HB2 ALA 10 1HB ALA 10 -2.124 0.820 0.620 60 HB3 ALA 10 2HB ALA 10 -1.083 1.642 -0.542 61 H LYS 11 H LYS 11 -4.096 0.516 -2.812 62 HA LYS 11 HA LYS 11 -2.441 0.940 -5.206 63 HB2 LYS 11 1HB LYS 11 -4.205 -0.820 -5.324 64 HB3 LYS 11 2HB LYS 11 -5.416 0.424 -5.044 65 HG2 LYS 11 1HG LYS 11 -3.525 0.791 -7.305 66 HG3 LYS 11 2HG LYS 11 -4.815 -0.403 -7.469 67 HD2 LYS 11 1HD LYS 11 -5.415 2.376 -6.523 68 HD3 LYS 11 2HD LYS 11 -5.244 2.031 -8.246 69 HE2 LYS 11 1HE LYS 11 -6.921 0.103 -7.743 70 HE3 LYS 11 2HE LYS 11 -7.300 1.053 -6.306 71 HZ1 LYS 11 3HZ LYS 11 -7.237 2.663 -8.662 72 HZ2 LYS 11 1HZ LYS 11 -8.468 2.484 -7.513 73 HZ3 LYS 11 2HZ LYS 11 -8.352 1.400 -8.806 74 H ALA 12 H ALA 12 -2.234 2.924 -6.007 75 HA ALA 12 HA ALA 12 -3.459 5.159 -4.728 76 HB1 ALA 12 3HB ALA 12 -2.356 6.341 -6.805 77 HB2 ALA 12 1HB ALA 12 -1.371 5.712 -5.483 78 HB3 ALA 12 2HB ALA 12 -1.545 4.785 -6.975 79 H LEU 13 H LEU 13 -5.488 5.776 -5.053 80 HA LEU 13 HA LEU 13 -7.008 4.955 -7.326 81 HB2 LEU 13 1HB LEU 13 -7.681 7.028 -5.245 82 HB3 LEU 13 2HB LEU 13 -8.811 6.248 -6.350 83 HG LEU 13 HG LEU 13 -7.256 4.759 -4.241 84 HD11 LEU 13 1HD1 LEU 13 -9.700 6.383 -4.044 85 HD12 LEU 13 2HD1 LEU 13 -8.558 5.888 -2.797 86 HD13 LEU 13 3HD1 LEU 13 -9.803 4.766 -3.346 87 HD21 LEU 13 3HD2 LEU 13 -9.400 4.076 -6.200 88 HD22 LEU 13 1HD2 LEU 13 -9.336 3.229 -4.654 89 HD23 LEU 13 2HD2 LEU 13 -7.954 3.169 -5.748 90 H LEU 14 H LEU 14 -4.966 7.610 -6.655 91 HA LEU 14 HA LEU 14 -5.507 8.734 -9.266 92 HB2 LEU 14 1HB LEU 14 -5.756 11.039 -8.337 93 HB3 LEU 14 2HB LEU 14 -7.123 9.965 -8.050 94 HG LEU 14 HG LEU 14 -5.033 10.349 -5.940 95 HD11 LEU 14 1HD1 LEU 14 -5.755 12.376 -5.310 96 HD12 LEU 14 2HD1 LEU 14 -7.431 12.027 -5.733 97 HD13 LEU 14 3HD1 LEU 14 -6.289 12.514 -6.986 98 HD21 LEU 14 3HD2 LEU 14 -7.831 10.145 -5.187 99 HD22 LEU 14 1HD2 LEU 14 -6.443 9.193 -4.658 100 HD23 LEU 14 2HD2 LEU 14 -7.286 8.770 -6.148 101 H ASP 15 H ASP 15 -4.075 10.945 -9.319 102 HA ASP 15 HA ASP 15 -1.380 10.006 -8.789 103 HB2 ASP 15 1HB ASP 15 -0.668 11.489 -10.399 104 HB3 ASP 15 2HB ASP 15 -2.323 11.220 -10.940 105 H PHE 16 H PHE 16 0.188 11.185 -7.632 106 HA PHE 16 HA PHE 16 -0.662 13.471 -6.057 107 HB2 PHE 16 1HB PHE 16 -1.367 11.565 -4.679 108 HB3 PHE 16 2HB PHE 16 0.265 10.909 -4.744 109 HD1 PHE 16 1HD PHE 16 -1.509 14.042 -3.777 110 HD2 PHE 16 2HD PHE 16 1.681 11.337 -2.990 111 HE1 PHE 16 1HE PHE 16 -0.914 15.333 -1.769 112 HE2 PHE 16 2HE PHE 16 2.281 12.623 -0.979 113 HZ PHE 16 HZ PHE 16 0.982 14.623 -0.366 114 H GLU 17 H GLU 17 0.943 14.894 -6.006 115 HA GLU 17 HA GLU 17 3.672 13.940 -6.538 116 HB2 GLU 17 1HB GLU 17 4.097 16.375 -7.108 117 HB3 GLU 17 2HB GLU 17 3.029 15.501 -8.197 118 HG2 GLU 17 1HG GLU 17 1.091 16.513 -7.167 119 HG3 GLU 17 2HG GLU 17 2.115 17.327 -5.985 120 H ARG 18 H ARG 18 4.477 13.467 -4.544 121 HA ARG 18 HA ARG 18 4.007 14.661 -2.131 122 HB2 ARG 18 1HB ARG 18 6.031 13.706 -1.349 123 HB3 ARG 18 2HB ARG 18 5.443 12.630 -2.610 124 HG2 ARG 18 1HG ARG 18 7.391 14.774 -3.313 125 HG3 ARG 18 2HG ARG 18 7.959 13.311 -2.507 126 HD2 ARG 18 1HD ARG 18 8.170 12.678 -4.697 127 HD3 ARG 18 2HD ARG 18 6.530 12.124 -4.367 128 HE ARG 18 HE ARG 18 6.572 14.792 -5.371 129 HH11 ARG 18 1HH1 ARG 18 6.781 11.445 -6.305 130 HH12 ARG 18 2HH1 ARG 18 6.192 11.722 -7.912 131 HH21 ARG 18 1HH2 ARG 18 5.797 15.169 -7.483 132 HH22 ARG 18 2HH2 ARG 18 5.633 13.840 -8.580 133 H HIS 19 H HIS 19 5.334 16.140 -0.839 134 HA HIS 19 HA HIS 19 6.439 18.316 -2.491 135 HB2 HIS 19 1HB HIS 19 5.294 18.689 0.269 136 HB3 HIS 19 2HB HIS 19 5.589 19.907 -0.968 137 HD1 HIS 19 1HD HIS 19 2.875 18.359 0.566 138 HD2 HIS 19 2HD HIS 19 3.845 19.078 -3.409 139 HE1 HIS 19 1HE HIS 19 0.699 18.242 -0.688 140 HE2 HIS 19 2HE HIS 19 1.322 18.595 -3.102 141 H ASP 20 H ASP 20 6.641 16.889 0.768 142 HA ASP 20 HA ASP 20 9.317 17.958 1.118 143 HB2 ASP 20 1HB ASP 20 7.549 17.828 2.956 144 HB3 ASP 20 2HB ASP 20 7.866 16.095 2.994 145 H ASP 21 H ASP 21 11.149 16.886 0.763 146 HA ASP 21 HA ASP 21 11.471 14.670 -0.724 147 HB2 ASP 21 1HB ASP 21 13.151 15.753 1.516 148 HB3 ASP 21 2HB ASP 21 13.638 14.286 0.673 149 H ASP 22 H ASP 22 10.492 14.739 2.602 150 HA ASP 22 HA ASP 22 11.003 11.975 3.144 151 HB2 ASP 22 1HB ASP 22 9.291 14.031 4.550 152 HB3 ASP 22 2HB ASP 22 9.537 12.393 5.146 153 H GLU 23 H GLU 23 8.111 13.858 2.309 154 HA GLU 23 HA GLU 23 6.211 11.848 2.462 155 HB2 GLU 23 1HB GLU 23 6.437 14.301 0.746 156 HB3 GLU 23 2HB GLU 23 5.081 13.200 0.556 157 HG2 GLU 23 1HG GLU 23 4.535 13.508 2.939 158 HG3 GLU 23 2HG GLU 23 5.847 14.679 3.063 159 H LEU 24 H LEU 24 5.164 10.614 0.768 160 HA LEU 24 HA LEU 24 7.035 9.813 -1.363 161 HB2 LEU 24 1HB LEU 24 6.773 8.112 0.397 162 HB3 LEU 24 2HB LEU 24 5.039 8.085 0.091 163 HG LEU 24 HG LEU 24 5.524 7.272 -2.214 164 HD11 LEU 24 1HD1 LEU 24 8.319 6.801 -1.218 165 HD12 LEU 24 2HD1 LEU 24 7.876 8.187 -2.214 166 HD13 LEU 24 3HD1 LEU 24 7.681 6.549 -2.843 167 HD21 LEU 24 3HD2 LEU 24 4.959 5.409 -1.117 168 HD22 LEU 24 1HD2 LEU 24 5.929 5.837 0.293 169 HD23 LEU 24 2HD2 LEU 24 6.688 5.055 -1.094 170 H GLY 25 H GLY 25 6.325 10.361 -3.310 171 HA2 GLY 25 1HA GLY 25 3.464 10.803 -3.727 172 HA3 GLY 25 2HA GLY 25 4.758 11.304 -4.802 173 H PHE 26 H PHE 26 2.658 10.202 -5.989 174 HA PHE 26 HA PHE 26 3.749 7.940 -7.299 175 HB2 PHE 26 1HB PHE 26 1.696 6.455 -6.671 176 HB3 PHE 26 2HB PHE 26 3.078 6.524 -5.583 177 HD1 PHE 26 2HD PHE 26 2.930 7.667 -3.454 178 HD2 PHE 26 1HD PHE 26 -0.411 7.472 -6.084 179 HE1 PHE 26 2HE PHE 26 1.451 8.371 -1.619 180 HE2 PHE 26 1HE PHE 26 -1.896 8.176 -4.253 181 HZ PHE 26 HZ PHE 26 -0.968 8.626 -2.017 182 H ARG 27 H ARG 27 1.981 6.919 -8.784 183 HA ARG 27 HA ARG 27 0.315 9.125 -9.802 184 HB2 ARG 27 1HB ARG 27 1.538 6.845 -11.367 185 HB3 ARG 27 2HB ARG 27 0.593 8.171 -12.031 186 HG2 ARG 27 1HG ARG 27 3.054 8.797 -10.477 187 HG3 ARG 27 2HG ARG 27 3.206 8.197 -12.131 188 HD2 ARG 27 1HD ARG 27 1.449 10.523 -11.384 189 HD3 ARG 27 2HD ARG 27 3.138 10.711 -11.852 190 HE ARG 27 HE ARG 27 1.805 9.204 -13.811 191 HH11 ARG 27 1HH1 ARG 27 1.929 12.444 -12.544 192 HH12 ARG 27 2HH1 ARG 27 1.462 13.185 -14.039 193 HH21 ARG 27 1HH2 ARG 27 1.191 10.168 -15.784 194 HH22 ARG 27 2HH2 ARG 27 1.042 11.890 -15.881 195 H LYS 28 H LYS 28 -1.549 8.294 -11.194 196 HA LYS 28 HA LYS 28 -3.302 6.812 -9.598 197 HB2 LYS 28 1HB LYS 28 -4.058 8.396 -11.310 198 HB3 LYS 28 2HB LYS 28 -3.440 7.340 -12.572 199 HG2 LYS 28 1HG LYS 28 -5.029 5.577 -11.605 200 HG3 LYS 28 2HG LYS 28 -5.794 6.928 -10.767 201 HD2 LYS 28 1HD LYS 28 -5.919 8.043 -13.069 202 HD3 LYS 28 2HD LYS 28 -5.556 6.444 -13.723 203 HE2 LYS 28 1HE LYS 28 -7.517 5.624 -12.296 204 HE3 LYS 28 2HE LYS 28 -7.947 7.327 -12.136 205 HZ1 LYS 28 3HZ LYS 28 -8.731 5.701 -14.147 206 HZ2 LYS 28 1HZ LYS 28 -7.426 6.519 -14.847 207 HZ3 LYS 28 2HZ LYS 28 -8.727 7.391 -14.210 208 H ASN 29 H ASN 29 -3.994 4.705 -9.616 209 HA ASN 29 HA ASN 29 -3.863 2.448 -9.864 210 HB2 ASN 29 1HB ASN 29 -3.282 3.467 -12.610 211 HB3 ASN 29 2HB ASN 29 -3.016 1.757 -12.283 212 HD21 ASN 29 1HD2 ASN 29 -4.894 2.697 -14.104 213 HD22 ASN 29 2HD2 ASN 29 -6.472 2.303 -13.524 214 H ASP 30 H ASP 30 -1.771 3.509 -8.498 215 HA ASP 30 HA ASP 30 0.542 1.966 -9.476 216 HB2 ASP 30 1HB ASP 30 0.404 4.590 -8.014 217 HB3 ASP 30 2HB ASP 30 1.851 3.589 -7.941 218 H ILE 31 H ILE 31 1.163 0.313 -8.253 219 HA ILE 31 HA ILE 31 -0.112 -0.108 -5.680 220 HB ILE 31 HB ILE 31 1.847 -1.908 -7.107 221 HG12 ILE 31 1HG1 ILE 31 -0.010 -1.624 -8.584 222 HG13 ILE 31 2HG1 ILE 31 -0.243 -3.167 -7.768 223 HG21 ILE 31 1HG2 ILE 31 1.573 -3.376 -5.446 224 HG22 ILE 31 2HG2 ILE 31 0.934 -2.016 -4.522 225 HG23 ILE 31 3HG2 ILE 31 -0.167 -3.100 -5.372 226 HD11 ILE 31 3HD1 ILE 31 -1.655 -0.572 -7.227 227 HD12 ILE 31 1HD1 ILE 31 -2.341 -2.073 -7.851 228 HD13 ILE 31 2HD1 ILE 31 -1.776 -1.989 -6.182 229 H ILE 32 H ILE 32 0.773 0.591 -3.861 230 HA ILE 32 HA ILE 32 3.710 0.807 -3.713 231 HB ILE 32 HB ILE 32 1.657 2.431 -2.204 232 HG12 ILE 32 1HG1 ILE 32 3.619 3.603 -4.125 233 HG13 ILE 32 2HG1 ILE 32 2.194 2.799 -4.773 234 HG21 ILE 32 1HG2 ILE 32 4.667 2.623 -2.236 235 HG22 ILE 32 2HG2 ILE 32 3.571 3.720 -1.397 236 HG23 ILE 32 3HG2 ILE 32 3.680 2.032 -0.899 237 HD11 ILE 32 3HD1 ILE 32 1.363 4.535 -2.689 238 HD12 ILE 32 1HD1 ILE 32 2.433 5.428 -3.771 239 HD13 ILE 32 2HD1 ILE 32 1.002 4.620 -4.414 240 H THR 33 H THR 33 4.708 -0.421 -2.260 241 HA THR 33 HA THR 33 3.247 -2.220 -0.600 242 HB THR 33 HB THR 33 6.200 -1.613 -0.780 243 HG1 THR 33 1HG THR 33 5.877 -2.857 -2.472 244 HG21 THR 33 3HG2 THR 33 6.500 -2.702 1.141 245 HG22 THR 33 1HG2 THR 33 5.771 -4.131 0.412 246 HG23 THR 33 2HG2 THR 33 4.766 -2.980 1.293 247 H ILE 34 H ILE 34 2.482 -1.879 1.375 248 HA ILE 34 HA ILE 34 3.132 0.553 2.791 249 HB ILE 34 HB ILE 34 1.338 -1.707 3.679 250 HG12 ILE 34 1HG1 ILE 34 0.701 0.814 2.134 251 HG13 ILE 34 2HG1 ILE 34 0.552 -0.840 1.551 252 HG21 ILE 34 1HG2 ILE 34 1.768 1.105 4.638 253 HG22 ILE 34 2HG2 ILE 34 0.287 0.215 4.988 254 HG23 ILE 34 3HG2 ILE 34 1.837 -0.398 5.559 255 HD11 ILE 34 3HD1 ILE 34 -1.289 0.759 3.122 256 HD12 ILE 34 1HD1 ILE 34 -1.578 -0.688 2.157 257 HD13 ILE 34 2HD1 ILE 34 -1.000 -0.836 3.817 258 H ILE 35 H ILE 35 4.713 0.738 4.223 259 HA ILE 35 HA ILE 35 5.947 -1.674 5.316 260 HB ILE 35 HB ILE 35 6.913 1.165 5.631 261 HG12 ILE 35 1HG1 ILE 35 6.624 0.261 3.211 262 HG13 ILE 35 2HG1 ILE 35 8.154 1.003 3.664 263 HG21 ILE 35 1HG2 ILE 35 9.105 -0.404 5.659 264 HG22 ILE 35 2HG2 ILE 35 8.218 0.072 7.106 265 HG23 ILE 35 3HG2 ILE 35 7.919 -1.500 6.367 266 HD11 ILE 35 3HD1 ILE 35 7.834 -1.438 2.464 267 HD12 ILE 35 1HD1 ILE 35 9.282 -0.875 3.297 268 HD13 ILE 35 2HD1 ILE 35 8.097 -1.860 4.156 269 H SER 36 H SER 36 4.910 1.519 6.525 270 HA SER 36 HA SER 36 3.930 0.236 8.959 271 HB2 SER 36 1HB SER 36 6.389 1.205 9.122 272 HB3 SER 36 2HB SER 36 5.533 2.734 9.310 273 HG SER 36 HG SER 36 5.832 1.839 11.334 274 H GLN 37 H GLN 37 2.854 2.003 10.394 275 HA GLN 37 HA GLN 37 1.524 4.002 8.704 276 HB2 GLN 37 1HB GLN 37 0.133 2.146 10.641 277 HB3 GLN 37 2HB GLN 37 -0.632 3.462 9.762 278 HG2 GLN 37 1HG GLN 37 -0.386 2.370 7.697 279 HG3 GLN 37 2HG GLN 37 0.754 1.201 8.363 280 HE21 GLN 37 1HE2 GLN 37 -1.859 0.915 6.954 281 HE22 GLN 37 2HE2 GLN 37 -2.811 -0.093 7.984 282 H LYS 38 H LYS 38 2.678 5.676 9.636 283 HA LYS 38 HA LYS 38 3.147 6.040 12.368 284 HB2 LYS 38 1HB LYS 38 3.099 7.839 9.986 285 HB3 LYS 38 2HB LYS 38 3.160 8.568 11.584 286 HG2 LYS 38 1HG LYS 38 5.137 6.889 11.942 287 HG3 LYS 38 2HG LYS 38 5.190 6.908 10.178 288 HD2 LYS 38 1HD LYS 38 5.114 9.505 10.504 289 HD3 LYS 38 2HD LYS 38 5.710 9.116 12.120 290 HE2 LYS 38 1HE LYS 38 7.597 7.920 11.149 291 HE3 LYS 38 2HE LYS 38 6.990 8.254 9.528 292 HZ1 LYS 38 3HZ LYS 38 8.464 9.955 11.321 293 HZ2 LYS 38 1HZ LYS 38 7.119 10.713 10.628 294 HZ3 LYS 38 2HZ LYS 38 8.309 10.033 9.638 295 H ASP 39 H ASP 39 0.457 7.095 10.330 296 HA ASP 39 HA ASP 39 -1.147 7.479 12.746 297 HB2 ASP 39 1HB ASP 39 -1.240 9.515 10.528 298 HB3 ASP 39 2HB ASP 39 -1.918 9.633 12.149 299 H GLU 40 H GLU 40 -3.362 7.157 12.465 300 HA GLU 40 HA GLU 40 -4.191 5.228 10.705 301 HB2 GLU 40 1HB GLU 40 -5.438 6.008 12.721 302 HB3 GLU 40 2HB GLU 40 -5.953 7.420 11.810 303 HG2 GLU 40 1HG GLU 40 -7.670 5.674 11.906 304 HG3 GLU 40 2HG GLU 40 -7.165 6.039 10.258 305 H HIS 41 H HIS 41 -4.179 8.715 10.241 306 HA HIS 41 HA HIS 41 -5.457 8.481 7.641 307 HB2 HIS 41 1HB HIS 41 -4.562 10.791 9.343 308 HB3 HIS 41 2HB HIS 41 -4.969 11.031 7.645 309 HD1 HIS 41 1HD HIS 41 -7.379 11.368 7.122 310 HD2 HIS 41 2HD HIS 41 -6.809 9.717 10.890 311 HE1 HIS 41 1HE HIS 41 -9.655 11.323 8.187 312 HE2 HIS 41 2HE HIS 41 -9.272 10.399 10.498 313 H CYS 42 H CYS 42 -2.285 9.014 9.019 314 HA CYS 42 HA CYS 42 -1.157 9.280 6.316 315 HB2 CYS 42 1HB CYS 42 -0.015 10.002 9.020 316 HB3 CYS 42 2HB CYS 42 0.902 10.072 7.520 317 HG CYS 42 HG CYS 42 -1.710 12.040 8.481 318 H TRP 43 H TRP 43 -0.438 7.447 5.476 319 HA TRP 43 HA TRP 43 0.642 5.390 7.283 320 HB2 TRP 43 1HB TRP 43 -0.590 5.186 4.533 321 HB3 TRP 43 2HB TRP 43 0.256 3.849 5.306 322 HD1 TRP 43 HD TRP 43 -1.294 5.213 8.161 323 HE1 TRP 43 1HE TRP 43 -3.613 4.204 8.637 324 HE3 TRP 43 3HE TRP 43 -2.214 3.103 3.596 325 HZ2 TRP 43 2HZ TRP 43 -5.572 2.708 7.261 326 HZ3 TRP 43 3HZ TRP 43 -4.334 1.899 3.259 327 HH2 TRP 43 HH TRP 43 -5.978 1.708 5.054 328 H VAL 44 H VAL 44 2.345 3.969 6.179 329 HA VAL 44 HA VAL 44 4.178 5.638 4.588 330 HB VAL 44 HB VAL 44 5.000 3.771 6.816 331 HG11 VAL 44 1HG1 VAL 44 7.100 3.944 6.092 332 HG12 VAL 44 2HG1 VAL 44 6.435 4.608 4.598 333 HG13 VAL 44 3HG1 VAL 44 6.962 5.689 5.888 334 HG21 VAL 44 3HG2 VAL 44 4.490 5.472 8.169 335 HG22 VAL 44 1HG2 VAL 44 5.856 6.321 7.445 336 HG23 VAL 44 2HG2 VAL 44 4.228 6.572 6.816 337 H GLY 45 H GLY 45 4.722 4.723 2.723 338 HA2 GLY 45 1HA GLY 45 4.701 1.773 2.560 339 HA3 GLY 45 2HA GLY 45 4.039 2.781 1.281 340 H GLU 46 H GLU 46 5.528 1.632 -0.119 341 HA GLU 46 HA GLU 46 8.094 3.009 -0.243 342 HB2 GLU 46 1HB GLU 46 8.172 0.660 0.968 343 HB3 GLU 46 2HB GLU 46 8.144 0.057 -0.682 344 HG2 GLU 46 1HG GLU 46 10.194 1.007 -1.202 345 HG3 GLU 46 2HG GLU 46 10.117 2.145 0.141 346 H LEU 47 H LEU 47 8.405 3.722 -2.239 347 HA LEU 47 HA LEU 47 7.709 2.106 -4.535 348 HB2 LEU 47 1HB LEU 47 5.638 3.405 -3.861 349 HB3 LEU 47 2HB LEU 47 6.523 4.861 -4.312 350 HG LEU 47 HG LEU 47 6.797 3.541 -6.596 351 HD11 LEU 47 1HD1 LEU 47 4.768 2.052 -5.125 352 HD12 LEU 47 2HD1 LEU 47 5.674 1.612 -6.572 353 HD13 LEU 47 3HD1 LEU 47 4.224 2.606 -6.709 354 HD21 LEU 47 3HD2 LEU 47 5.323 5.677 -5.701 355 HD22 LEU 47 1HD2 LEU 47 4.099 4.635 -6.426 356 HD23 LEU 47 2HD2 LEU 47 5.483 5.168 -7.383 357 H ASN 48 H ASN 48 8.850 2.652 -6.370 358 HA ASN 48 HA ASN 48 10.586 3.490 -7.579 359 HB2 ASN 48 1HB ASN 48 9.560 5.965 -6.209 360 HB3 ASN 48 2HB ASN 48 10.949 6.034 -7.288 361 HD21 ASN 48 1HD2 ASN 48 7.556 5.849 -7.042 362 HD22 ASN 48 2HD2 ASN 48 7.203 5.810 -8.732 363 H GLY 49 H GLY 49 11.084 2.362 -4.910 364 HA2 GLY 49 1HA GLY 49 12.982 1.938 -3.671 365 HA3 GLY 49 2HA GLY 49 13.851 3.052 -4.716 366 H LEU 50 H LEU 50 11.000 4.225 -3.190 367 HA LEU 50 HA LEU 50 12.653 5.656 -1.213 368 HB2 LEU 50 1HB LEU 50 10.157 6.740 -2.495 369 HB3 LEU 50 2HB LEU 50 11.323 7.605 -1.496 370 HG LEU 50 HG LEU 50 11.909 6.518 -4.249 371 HD11 LEU 50 1HD1 LEU 50 10.474 8.871 -3.432 372 HD12 LEU 50 2HD1 LEU 50 10.798 8.260 -5.054 373 HD13 LEU 50 3HD1 LEU 50 11.967 9.312 -4.259 374 HD21 LEU 50 3HD2 LEU 50 13.761 6.912 -2.473 375 HD22 LEU 50 1HD2 LEU 50 13.467 8.620 -2.802 376 HD23 LEU 50 2HD2 LEU 50 13.975 7.545 -4.105 377 H ARG 51 H ARG 51 11.694 6.125 0.804 378 HA ARG 51 HA ARG 51 9.181 4.715 1.384 379 HB2 ARG 51 1HB ARG 51 11.440 3.540 2.073 380 HB3 ARG 51 2HB ARG 51 11.382 4.686 3.407 381 HG2 ARG 51 1HG ARG 51 8.948 3.786 3.695 382 HG3 ARG 51 2HG ARG 51 9.568 2.407 2.785 383 HD2 ARG 51 1HD ARG 51 9.923 1.807 5.009 384 HD3 ARG 51 2HD ARG 51 11.494 2.409 4.481 385 HE ARG 51 HE ARG 51 9.838 4.413 5.708 386 HH11 ARG 51 1HH1 ARG 51 12.153 1.875 6.265 387 HH12 ARG 51 2HH1 ARG 51 12.690 2.520 7.782 388 HH21 ARG 51 1HH2 ARG 51 10.535 5.272 7.702 389 HH22 ARG 51 2HH2 ARG 51 11.768 4.451 8.598 390 H GLY 52 H GLY 52 7.787 6.222 2.021 391 HA2 GLY 52 1HA GLY 52 8.551 8.037 4.169 392 HA3 GLY 52 2HA GLY 52 8.053 8.788 2.660 393 H TRP 53 H TRP 53 6.438 9.712 4.230 394 HA TRP 53 HA TRP 53 4.242 7.875 4.832 395 HB2 TRP 53 1HB TRP 53 3.437 9.482 6.353 396 HB3 TRP 53 2HB TRP 53 5.189 9.552 6.528 397 HD1 TRP 53 HD TRP 53 6.432 11.739 5.560 398 HE1 TRP 53 1HE TRP 53 5.560 14.112 5.074 399 HE3 TRP 53 3HE TRP 53 1.412 10.775 5.556 400 HZ2 TRP 53 2HZ TRP 53 3.073 15.403 4.737 401 HZ3 TRP 53 3HZ TRP 53 -0.147 12.634 5.144 402 HH2 TRP 53 HH TRP 53 0.668 14.900 4.745 403 H PHE 54 H PHE 54 2.000 8.707 4.447 404 HA PHE 54 HA PHE 54 1.462 10.701 2.534 405 HB2 PHE 54 1HB PHE 54 0.907 9.355 0.586 406 HB3 PHE 54 2HB PHE 54 2.595 9.103 1.019 407 HD1 PHE 54 1HD PHE 54 -0.778 7.630 1.604 408 HD2 PHE 54 2HD PHE 54 3.401 6.952 1.154 409 HE1 PHE 54 1HE PHE 54 -1.165 5.202 1.684 410 HE2 PHE 54 2HE PHE 54 3.018 4.523 1.232 411 HZ PHE 54 HZ PHE 54 0.733 3.645 1.496 412 HA PRO 55 HA PRO 55 -2.583 10.052 4.114 413 HB2 PRO 55 1HB PRO 55 -4.086 11.095 2.109 414 HB3 PRO 55 2HB PRO 55 -3.126 12.093 3.208 415 HG2 PRO 55 1HG PRO 55 -2.483 11.178 0.431 416 HG3 PRO 55 2HG PRO 55 -2.243 12.773 1.168 417 HD2 PRO 55 1HD PRO 55 -0.232 10.980 0.886 418 HD3 PRO 55 2HD PRO 55 -0.308 12.125 2.241 419 H ALA 56 H ALA 56 -3.471 8.093 4.272 420 HA ALA 56 HA ALA 56 -3.480 6.130 2.281 421 HB1 ALA 56 3HB ALA 56 -5.376 6.321 4.618 422 HB2 ALA 56 1HB ALA 56 -4.926 4.866 3.729 423 HB3 ALA 56 2HB ALA 56 -3.727 5.704 4.712 424 H LYS 57 H LYS 57 -5.748 8.682 3.004 425 HA LYS 57 HA LYS 57 -8.021 7.754 1.697 426 HB2 LYS 57 1HB LYS 57 -8.834 9.914 1.844 427 HB3 LYS 57 2HB LYS 57 -7.598 9.923 3.094 428 HG2 LYS 57 1HG LYS 57 -7.118 11.881 2.039 429 HG3 LYS 57 2HG LYS 57 -6.078 10.783 1.129 430 HD2 LYS 57 1HD LYS 57 -7.108 11.909 -0.586 431 HD3 LYS 57 2HD LYS 57 -8.208 10.543 -0.392 432 HE2 LYS 57 1HE LYS 57 -9.411 12.144 1.294 433 HE3 LYS 57 2HE LYS 57 -8.565 13.401 0.394 434 HZ1 LYS 57 3HZ LYS 57 -10.922 12.093 -0.302 435 HZ2 LYS 57 1HZ LYS 57 -9.747 11.613 -1.422 436 HZ3 LYS 57 2HZ LYS 57 -10.078 13.257 -1.193 437 H PHE 58 H PHE 58 -5.038 8.982 0.415 438 HA PHE 58 HA PHE 58 -6.059 9.465 -2.229 439 HB2 PHE 58 1HB PHE 58 -3.390 9.574 -0.908 440 HB3 PHE 58 2HB PHE 58 -3.429 9.395 -2.659 441 HD1 PHE 58 2HD PHE 58 -4.458 11.555 0.150 442 HD2 PHE 58 1HD PHE 58 -3.971 11.213 -4.064 443 HE1 PHE 58 2HE PHE 58 -4.804 13.980 -0.083 444 HE2 PHE 58 1HE PHE 58 -4.315 13.636 -4.304 445 HZ PHE 58 HZ PHE 58 -4.733 15.024 -2.312 446 H VAL 59 H VAL 59 -4.976 6.740 -0.481 447 HA VAL 59 HA VAL 59 -4.825 5.178 -2.979 448 HB VAL 59 HB VAL 59 -3.299 3.630 -1.880 449 HG11 VAL 59 1HG1 VAL 59 -1.355 5.242 -1.547 450 HG12 VAL 59 2HG1 VAL 59 -2.187 5.303 -3.103 451 HG13 VAL 59 3HG1 VAL 59 -2.511 6.531 -1.878 452 HG21 VAL 59 3HG2 VAL 59 -2.584 3.785 0.312 453 HG22 VAL 59 1HG2 VAL 59 -2.994 5.496 0.434 454 HG23 VAL 59 2HG2 VAL 59 -4.272 4.281 0.448 455 H GLU 60 H GLU 60 -5.172 2.736 -2.427 456 HA GLU 60 HA GLU 60 -7.412 2.492 -0.533 457 HB2 GLU 60 1HB GLU 60 -8.014 2.598 -3.048 458 HB3 GLU 60 2HB GLU 60 -7.340 0.976 -3.127 459 HG2 GLU 60 1HG GLU 60 -9.692 0.780 -2.867 460 HG3 GLU 60 2HG GLU 60 -8.941 0.296 -1.348 461 H VAL 61 H VAL 61 -7.398 0.732 0.755 462 HA VAL 61 HA VAL 61 -5.024 -0.843 0.903 463 HB VAL 61 HB VAL 61 -7.613 -1.390 2.349 464 HG11 VAL 61 1HG1 VAL 61 -5.867 -2.106 4.116 465 HG12 VAL 61 2HG1 VAL 61 -6.185 -3.177 2.749 466 HG13 VAL 61 3HG1 VAL 61 -4.748 -2.156 2.754 467 HG21 VAL 61 3HG2 VAL 61 -5.717 0.081 3.919 468 HG22 VAL 61 1HG2 VAL 61 -6.103 0.975 2.450 469 HG23 VAL 61 2HG2 VAL 61 -7.394 0.473 3.542 470 H LEU 62 H LEU 62 -4.739 -3.033 0.521 471 HA LEU 62 HA LEU 62 -6.889 -4.403 -0.948 472 HB2 LEU 62 1HB LEU 62 -4.069 -4.915 -1.721 473 HB3 LEU 62 2HB LEU 62 -5.538 -5.006 -2.688 474 HG LEU 62 HG LEU 62 -4.555 -2.333 -1.800 475 HD11 LEU 62 1HD1 LEU 62 -2.886 -4.096 -3.166 476 HD12 LEU 62 2HD1 LEU 62 -2.701 -2.349 -3.017 477 HD13 LEU 62 3HD1 LEU 62 -3.549 -3.032 -4.406 478 HD21 LEU 62 3HD2 LEU 62 -6.091 -3.432 -4.141 479 HD22 LEU 62 1HD2 LEU 62 -5.457 -1.786 -4.103 480 HD23 LEU 62 2HD2 LEU 62 -6.641 -2.304 -2.901 481 H ASP 63 H ASP 63 -7.368 -6.328 -0.132 482 HA ASP 63 HA ASP 63 -5.616 -7.489 1.885 483 HB2 ASP 63 1HB ASP 63 -7.629 -9.128 2.063 484 HB3 ASP 63 2HB ASP 63 -7.812 -7.480 2.660 485 H GLU 64 H GLU 64 -4.630 -9.460 1.731 486 HA GLU 64 HA GLU 64 -4.815 -10.814 -0.880 487 HB2 GLU 64 1HB GLU 64 -2.425 -10.323 0.890 488 HB3 GLU 64 2HB GLU 64 -2.419 -11.544 -0.375 489 HG2 GLU 64 1HG GLU 64 -3.203 -8.757 -1.066 490 HG3 GLU 64 2HG GLU 64 -1.499 -9.139 -0.820 491 H ARG 65 H ARG 65 -6.423 -12.234 -0.094 492 HA ARG 65 HA ARG 65 -5.828 -13.920 2.184 493 HB2 ARG 65 1HB ARG 65 -8.168 -13.474 0.401 494 HB3 ARG 65 2HB ARG 65 -8.037 -15.045 1.184 495 HG2 ARG 65 1HG ARG 65 -7.765 -12.553 2.805 496 HG3 ARG 65 2HG ARG 65 -9.363 -13.128 2.325 497 HD2 ARG 65 1HD ARG 65 -8.900 -15.290 3.367 498 HD3 ARG 65 2HD ARG 65 -7.297 -14.724 3.834 499 HE ARG 65 HE ARG 65 -9.740 -14.218 5.190 500 HH11 ARG 65 1HH1 ARG 65 -6.671 -12.785 4.386 501 HH12 ARG 65 2HH1 ARG 65 -6.650 -11.737 5.766 502 HH21 ARG 65 1HH2 ARG 65 -9.725 -12.844 7.010 503 HH22 ARG 65 2HH2 ARG 65 -8.389 -11.772 7.258 504 H SER 66 H SER 66 -5.327 -16.080 2.134 505 HA SER 66 HA SER 66 -5.408 -17.714 -0.160 506 HB2 SER 66 1HB SER 66 -3.547 -16.162 -0.826 507 HB3 SER 66 2HB SER 66 -2.624 -16.766 0.553 508 HG SER 66 HG SER 66 -2.279 -17.810 -1.576 509 H LYS 67 H LYS 67 -5.782 -19.614 0.748 510 HA LYS 67 HA LYS 67 -3.989 -20.616 2.807 511 HB2 LYS 67 1HB LYS 67 -6.132 -19.404 3.770 512 HB3 LYS 67 2HB LYS 67 -6.911 -20.924 3.349 513 HG2 LYS 67 1HG LYS 67 -5.395 -22.143 4.776 514 HG3 LYS 67 2HG LYS 67 -4.497 -20.664 5.131 515 HD2 LYS 67 1HD LYS 67 -7.431 -20.808 5.695 516 HD3 LYS 67 2HD LYS 67 -6.280 -21.533 6.819 517 HE2 LYS 67 1HE LYS 67 -5.113 -19.367 6.976 518 HE3 LYS 67 2HE LYS 67 -6.323 -18.657 5.908 519 HZ1 LYS 67 3HZ LYS 67 -7.950 -19.589 7.697 520 HZ2 LYS 67 1HZ LYS 67 -7.156 -18.115 7.951 521 HZ3 LYS 67 2HZ LYS 67 -6.589 -19.522 8.699 522 H GLU 68 H GLU 68 -4.222 -22.929 3.167 523 HA GLU 68 HA GLU 68 -4.806 -24.306 0.708 524 HB2 GLU 68 1HB GLU 68 -3.648 -25.099 3.358 525 HB3 GLU 68 2HB GLU 68 -4.158 -26.336 2.215 526 HG2 GLU 68 1HG GLU 68 -2.096 -24.196 1.743 527 HG3 GLU 68 2HG GLU 68 -1.799 -25.916 1.982 528 H TYR 69 H TYR 69 -7.142 -23.225 1.553 529 HA TYR 69 HA TYR 69 -8.706 -25.615 2.198 530 HB2 TYR 69 1HB TYR 69 -8.991 -22.945 3.588 531 HB3 TYR 69 2HB TYR 69 -10.157 -24.257 3.712 532 HD1 TYR 69 2HD TYR 69 -6.482 -23.705 4.136 533 HD2 TYR 69 1HD TYR 69 -9.998 -25.642 5.547 534 HE1 TYR 69 2HE TYR 69 -5.199 -24.663 6.003 535 HE2 TYR 69 1HE TYR 69 -8.724 -26.604 7.419 536 HH TYR 69 HH TYR 69 -5.300 -26.492 7.561 537 H SER 70 H SER 70 -9.802 -25.870 0.356 538 HA SER 70 HA SER 70 -10.915 -23.523 -0.997 539 HB2 SER 70 1HB SER 70 -9.570 -25.492 -2.127 540 HB3 SER 70 2HB SER 70 -11.140 -26.295 -2.105 541 HG SER 70 HG SER 70 -10.365 -23.942 -3.444 542 H ILE 71 H ILE 71 -13.099 -23.320 -1.474 543 HA ILE 71 HA ILE 71 -14.978 -23.859 0.375 544 HB ILE 71 HB ILE 71 -16.698 -23.543 -1.262 545 HG12 ILE 71 1HG1 ILE 71 -16.002 -25.165 -2.929 546 HG13 ILE 71 2HG1 ILE 71 -16.194 -23.591 -3.693 547 HG21 ILE 71 1HG2 ILE 71 -16.049 -21.420 -1.298 548 HG22 ILE 71 2HG2 ILE 71 -14.359 -21.892 -1.130 549 HG23 ILE 71 3HG2 ILE 71 -15.087 -21.777 -2.732 550 HD11 ILE 71 3HD1 ILE 71 -13.670 -25.059 -3.040 551 HD12 ILE 71 1HD1 ILE 71 -14.236 -24.467 -4.601 552 HD13 ILE 71 2HD1 ILE 71 -13.680 -23.328 -3.375 553 H ALA 72 H ALA 72 -16.503 -25.442 0.829 554 HA ALA 72 HA ALA 72 -15.988 -28.075 -0.396 555 HB1 ALA 72 3HB ALA 72 -17.182 -28.508 2.095 556 HB2 ALA 72 1HB ALA 72 -15.503 -28.802 1.645 557 HB3 ALA 72 2HB ALA 72 -15.967 -27.259 2.361 558 H SER 73 H SER 73 -17.740 -29.403 -0.850 559 HA SER 73 HA SER 73 -20.051 -28.253 -1.806 560 HB2 SER 73 1HB SER 73 -20.935 -30.459 -2.047 561 HB3 SER 73 2HB SER 73 -19.188 -30.594 -2.258 562 HG SER 73 HG SER 73 -20.619 -31.134 0.136 563 H GLY 74 H GLY 74 -22.054 -27.785 -1.023 564 HA2 GLY 74 1HA GLY 74 -23.515 -28.633 1.020 565 HA3 GLY 74 2HA GLY 74 -22.303 -27.697 1.883 566 HA PRO 75 HA PRO 75 -24.775 -24.114 1.354 567 HB2 PRO 75 1HB PRO 75 -22.865 -22.186 1.444 568 HB3 PRO 75 2HB PRO 75 -23.385 -23.092 2.871 569 HG2 PRO 75 1HG PRO 75 -20.978 -23.502 1.137 570 HG3 PRO 75 2HG PRO 75 -21.105 -23.551 2.906 571 HD2 PRO 75 1HD PRO 75 -21.037 -25.793 1.388 572 HD3 PRO 75 2HD PRO 75 -21.942 -25.699 2.912 573 H SER 76 H SER 76 -21.967 -24.523 -0.739 574 HA SER 76 HA SER 76 -23.047 -22.650 -2.693 575 HB2 SER 76 1HB SER 76 -20.942 -23.026 -3.908 576 HB3 SER 76 2HB SER 76 -20.634 -22.590 -2.227 577 HG SER 76 HG SER 76 -19.348 -24.344 -2.792 578 H SER 77 H SER 77 -24.325 -23.275 -4.293 579 HA SER 77 HA SER 77 -23.917 -25.615 -5.827 580 HB2 SER 77 1HB SER 77 -26.080 -26.758 -5.211 581 HB3 SER 77 2HB SER 77 -24.828 -26.834 -3.970 582 HG SER 77 HG SER 77 -26.799 -26.258 -3.037 583 H GLY 78 H GLY 78 -25.079 -25.569 -7.724 584 HA2 GLY 78 1HA GLY 78 -26.584 -23.108 -8.190 585 HA3 GLY 78 2HA GLY 78 -25.952 -24.187 -9.423 Start of MODEL 15 1 H1 GLY 1 H GLY 1 13.740 -15.545 6.152 2 HA2 GLY 1 1HA GLY 1 14.461 -14.306 8.725 3 HA3 GLY 1 2HA GLY 1 12.863 -14.042 8.045 4 H SER 2 H SER 2 12.952 -15.079 10.506 5 HA SER 2 HA SER 2 12.370 -17.941 10.103 6 HB2 SER 2 1HB SER 2 14.356 -17.272 11.619 7 HB3 SER 2 2HB SER 2 13.121 -16.762 12.768 8 HG SER 2 HG SER 2 13.309 -18.811 13.320 9 H SER 3 H SER 3 11.543 -15.120 12.111 10 HA SER 3 HA SER 3 9.103 -16.266 13.051 11 HB2 SER 3 1HB SER 3 10.292 -14.575 14.364 12 HB3 SER 3 2HB SER 3 10.055 -13.391 13.079 13 HG SER 3 HG SER 3 7.795 -13.601 13.426 14 H GLY 4 H GLY 4 9.904 -13.815 10.607 15 HA2 GLY 4 1HA GLY 4 8.652 -13.840 8.518 16 HA3 GLY 4 2HA GLY 4 7.222 -14.253 9.453 17 H SER 5 H SER 5 7.359 -12.118 7.615 18 HA SER 5 HA SER 5 6.877 -9.873 9.444 19 HB2 SER 5 1HB SER 5 8.042 -8.322 8.083 20 HB3 SER 5 2HB SER 5 9.124 -9.706 8.231 21 HG SER 5 HG SER 5 8.960 -8.986 6.069 22 H SER 6 H SER 6 4.940 -8.988 9.165 23 HA SER 6 HA SER 6 3.303 -9.841 6.926 24 HB2 SER 6 1HB SER 6 1.446 -8.998 8.143 25 HB3 SER 6 2HB SER 6 2.508 -9.719 9.352 26 HG SER 6 HG SER 6 2.636 -7.837 10.253 27 H GLY 7 H GLY 7 2.644 -8.604 5.251 28 HA2 GLY 7 1HA GLY 7 3.248 -5.725 5.317 29 HA3 GLY 7 2HA GLY 7 3.875 -6.702 3.997 30 H ARG 8 H ARG 8 2.150 -4.474 3.691 31 HA ARG 8 HA ARG 8 -0.132 -5.820 2.429 32 HB2 ARG 8 1HB ARG 8 -0.583 -4.552 4.702 33 HB3 ARG 8 2HB ARG 8 -0.553 -3.133 3.663 34 HG2 ARG 8 1HG ARG 8 -2.483 -3.704 2.587 35 HG3 ARG 8 2HG ARG 8 -2.245 -5.434 2.848 36 HD2 ARG 8 1HD ARG 8 -2.776 -5.137 5.223 37 HD3 ARG 8 2HD ARG 8 -3.028 -3.414 4.948 38 HE ARG 8 HE ARG 8 -4.690 -4.805 3.197 39 HH11 ARG 8 1HH1 ARG 8 -4.302 -4.326 6.624 40 HH12 ARG 8 2HH1 ARG 8 -5.984 -4.546 6.976 41 HH21 ARG 8 1HH2 ARG 8 -6.907 -5.095 3.649 42 HH22 ARG 8 2HH2 ARG 8 -7.465 -4.985 5.284 43 H ARG 9 H ARG 9 -1.295 -4.196 0.923 44 HA ARG 9 HA ARG 9 0.552 -2.281 -0.281 45 HB2 ARG 9 1HB ARG 9 -0.783 -4.483 -1.865 46 HB3 ARG 9 2HB ARG 9 0.217 -3.194 -2.523 47 HG2 ARG 9 1HG ARG 9 1.987 -4.185 -0.836 48 HG3 ARG 9 2HG ARG 9 1.001 -5.634 -1.030 49 HD2 ARG 9 1HD ARG 9 1.845 -4.130 -3.458 50 HD3 ARG 9 2HD ARG 9 3.031 -5.138 -2.630 51 HE ARG 9 HE ARG 9 0.583 -6.525 -3.125 52 HH11 ARG 9 1HH1 ARG 9 3.583 -5.506 -4.570 53 HH12 ARG 9 2HH1 ARG 9 3.595 -6.774 -5.751 54 HH21 ARG 9 1HH2 ARG 9 0.589 -8.198 -4.675 55 HH22 ARG 9 2HH2 ARG 9 1.891 -8.305 -5.810 56 H ALA 10 H ALA 10 -0.445 -0.497 -1.016 57 HA ALA 10 HA ALA 10 -3.389 -0.555 -1.179 58 HB1 ALA 10 3HB ALA 10 -2.279 2.082 -0.734 59 HB2 ALA 10 1HB ALA 10 -3.523 1.214 0.165 60 HB3 ALA 10 2HB ALA 10 -1.821 0.950 0.538 61 H LYS 11 H LYS 11 -4.269 -0.007 -3.065 62 HA LYS 11 HA LYS 11 -2.547 0.863 -5.230 63 HB2 LYS 11 1HB LYS 11 -4.072 -0.874 -5.799 64 HB3 LYS 11 2HB LYS 11 -5.431 -0.008 -5.096 65 HG2 LYS 11 1HG LYS 11 -5.472 1.559 -6.861 66 HG3 LYS 11 2HG LYS 11 -3.903 1.024 -7.467 67 HD2 LYS 11 1HD LYS 11 -5.306 -0.042 -8.935 68 HD3 LYS 11 2HD LYS 11 -5.138 -1.285 -7.693 69 HE2 LYS 11 1HE LYS 11 -7.250 -0.822 -6.788 70 HE3 LYS 11 2HE LYS 11 -7.355 0.735 -7.607 71 HZ1 LYS 11 3HZ LYS 11 -7.069 -1.434 -9.444 72 HZ2 LYS 11 1HZ LYS 11 -8.241 -0.214 -9.394 73 HZ3 LYS 11 2HZ LYS 11 -8.440 -1.615 -8.470 74 H ALA 12 H ALA 12 -2.343 2.893 -5.902 75 HA ALA 12 HA ALA 12 -3.641 5.042 -4.593 76 HB1 ALA 12 3HB ALA 12 -2.286 6.442 -5.827 77 HB2 ALA 12 1HB ALA 12 -1.347 4.948 -5.814 78 HB3 ALA 12 2HB ALA 12 -2.295 5.382 -7.238 79 H LEU 13 H LEU 13 -5.433 6.167 -5.084 80 HA LEU 13 HA LEU 13 -7.117 5.183 -7.227 81 HB2 LEU 13 1HB LEU 13 -7.621 7.323 -5.165 82 HB3 LEU 13 2HB LEU 13 -8.821 6.659 -6.272 83 HG LEU 13 HG LEU 13 -7.393 4.992 -4.210 84 HD11 LEU 13 1HD1 LEU 13 -8.758 6.942 -3.282 85 HD12 LEU 13 2HD1 LEU 13 -9.142 5.323 -2.696 86 HD13 LEU 13 3HD1 LEU 13 -10.168 6.089 -3.908 87 HD21 LEU 13 3HD2 LEU 13 -9.363 3.520 -4.566 88 HD22 LEU 13 1HD2 LEU 13 -8.346 3.703 -5.995 89 HD23 LEU 13 2HD2 LEU 13 -9.870 4.584 -5.880 90 H LEU 14 H LEU 14 -5.096 7.913 -6.547 91 HA LEU 14 HA LEU 14 -5.534 8.906 -9.243 92 HB2 LEU 14 1HB LEU 14 -5.819 11.230 -8.455 93 HB3 LEU 14 2HB LEU 14 -7.164 10.172 -8.033 94 HG LEU 14 HG LEU 14 -5.024 10.631 -6.012 95 HD11 LEU 14 1HD1 LEU 14 -5.622 12.743 -5.467 96 HD12 LEU 14 2HD1 LEU 14 -7.282 12.538 -6.025 97 HD13 LEU 14 3HD1 LEU 14 -5.990 12.824 -7.190 98 HD21 LEU 14 3HD2 LEU 14 -7.977 10.077 -5.995 99 HD22 LEU 14 1HD2 LEU 14 -7.098 10.572 -4.548 100 HD23 LEU 14 2HD2 LEU 14 -6.667 9.072 -5.371 101 H ASP 15 H ASP 15 -4.074 11.097 -9.353 102 HA ASP 15 HA ASP 15 -1.399 10.140 -8.865 103 HB2 ASP 15 1HB ASP 15 -0.698 11.731 -10.372 104 HB3 ASP 15 2HB ASP 15 -2.369 11.536 -10.892 105 H PHE 16 H PHE 16 -0.320 10.471 -7.048 106 HA PHE 16 HA PHE 16 -1.047 12.782 -5.376 107 HB2 PHE 16 1HB PHE 16 -1.412 10.639 -4.269 108 HB3 PHE 16 2HB PHE 16 0.249 10.161 -4.600 109 HD1 PHE 16 1HD PHE 16 -1.626 12.941 -2.965 110 HD2 PHE 16 2HD PHE 16 1.784 10.395 -2.912 111 HE1 PHE 16 1HE PHE 16 -0.922 13.934 -0.826 112 HE2 PHE 16 2HE PHE 16 2.493 11.382 -0.774 113 HZ PHE 16 HZ PHE 16 1.138 13.153 0.273 114 H GLU 17 H GLU 17 0.317 14.421 -5.634 115 HA GLU 17 HA GLU 17 3.106 13.902 -6.324 116 HB2 GLU 17 1HB GLU 17 1.278 16.243 -6.515 117 HB3 GLU 17 2HB GLU 17 2.995 16.568 -6.328 118 HG2 GLU 17 1HG GLU 17 2.119 14.631 -8.409 119 HG3 GLU 17 2HG GLU 17 1.904 16.356 -8.698 120 H ARG 18 H ARG 18 4.349 13.467 -4.612 121 HA ARG 18 HA ARG 18 3.895 14.230 -1.975 122 HB2 ARG 18 1HB ARG 18 6.013 13.364 -1.481 123 HB3 ARG 18 2HB ARG 18 5.522 12.473 -2.915 124 HG2 ARG 18 1HG ARG 18 6.848 14.121 -4.268 125 HG3 ARG 18 2HG ARG 18 7.479 14.746 -2.743 126 HD2 ARG 18 1HD ARG 18 8.725 12.876 -2.332 127 HD3 ARG 18 2HD ARG 18 7.623 11.817 -3.211 128 HE ARG 18 HE ARG 18 8.663 13.282 -5.192 129 HH11 ARG 18 1HH1 ARG 18 10.157 11.618 -2.524 130 HH12 ARG 18 2HH1 ARG 18 11.629 11.298 -3.379 131 HH21 ARG 18 1HH2 ARG 18 10.597 12.866 -6.328 132 HH22 ARG 18 2HH2 ARG 18 11.879 12.009 -5.542 133 H HIS 19 H HIS 19 3.967 16.143 -1.017 134 HA HIS 19 HA HIS 19 5.032 18.447 -2.352 135 HB2 HIS 19 1HB HIS 19 2.996 18.537 -0.938 136 HB3 HIS 19 2HB HIS 19 3.986 18.190 0.476 137 HD1 HIS 19 1HD HIS 19 3.609 20.392 1.667 138 HD2 HIS 19 2HD HIS 19 5.047 20.859 -2.203 139 HE1 HIS 19 1HE HIS 19 4.212 22.824 1.463 140 HE2 HIS 19 2HE HIS 19 4.999 23.101 -0.914 141 H ASP 20 H ASP 20 5.822 16.794 0.705 142 HA ASP 20 HA ASP 20 8.383 18.210 0.775 143 HB2 ASP 20 1HB ASP 20 6.877 16.587 2.825 144 HB3 ASP 20 2HB ASP 20 8.543 17.104 3.070 145 H ASP 21 H ASP 21 10.350 17.184 0.723 146 HA ASP 21 HA ASP 21 10.843 15.087 -0.881 147 HB2 ASP 21 1HB ASP 21 12.690 16.334 -0.048 148 HB3 ASP 21 2HB ASP 21 12.325 15.898 1.618 149 H ASP 22 H ASP 22 10.042 14.856 2.553 150 HA ASP 22 HA ASP 22 10.415 12.079 2.823 151 HB2 ASP 22 1HB ASP 22 8.800 14.112 4.340 152 HB3 ASP 22 2HB ASP 22 8.714 12.402 4.753 153 H GLU 23 H GLU 23 7.494 13.982 2.126 154 HA GLU 23 HA GLU 23 5.573 12.056 2.075 155 HB2 GLU 23 1HB GLU 23 5.996 14.439 0.293 156 HB3 GLU 23 2HB GLU 23 4.597 13.393 0.092 157 HG2 GLU 23 1HG GLU 23 4.295 13.819 2.657 158 HG3 GLU 23 2HG GLU 23 5.279 15.242 2.320 159 H LEU 24 H LEU 24 4.935 10.407 0.776 160 HA LEU 24 HA LEU 24 6.798 9.628 -1.348 161 HB2 LEU 24 1HB LEU 24 6.396 8.018 0.453 162 HB3 LEU 24 2HB LEU 24 4.675 8.026 0.071 163 HG LEU 24 HG LEU 24 5.257 7.102 -2.183 164 HD11 LEU 24 1HD1 LEU 24 7.515 5.949 -2.258 165 HD12 LEU 24 2HD1 LEU 24 7.981 6.999 -0.920 166 HD13 LEU 24 3HD1 LEU 24 7.514 7.701 -2.470 167 HD21 LEU 24 3HD2 LEU 24 6.359 5.087 -0.379 168 HD22 LEU 24 1HD2 LEU 24 4.898 5.051 -1.366 169 HD23 LEU 24 2HD2 LEU 24 4.875 5.836 0.213 170 H GLY 25 H GLY 25 6.204 10.420 -3.271 171 HA2 GLY 25 1HA GLY 25 3.435 10.845 -3.955 172 HA3 GLY 25 2HA GLY 25 4.824 11.142 -4.989 173 H PHE 26 H PHE 26 2.623 10.076 -6.120 174 HA PHE 26 HA PHE 26 3.601 7.693 -7.272 175 HB2 PHE 26 1HB PHE 26 1.565 6.284 -6.505 176 HB3 PHE 26 2HB PHE 26 2.935 6.446 -5.411 177 HD1 PHE 26 1HD PHE 26 -0.511 7.532 -6.089 178 HD2 PHE 26 2HD PHE 26 2.731 7.582 -3.330 179 HE1 PHE 26 1HE PHE 26 -2.015 8.392 -4.342 180 HE2 PHE 26 2HE PHE 26 1.232 8.441 -1.579 181 HZ PHE 26 HZ PHE 26 -1.145 8.846 -2.082 182 H ARG 27 H ARG 27 2.111 6.801 -8.898 183 HA ARG 27 HA ARG 27 0.492 8.942 -10.039 184 HB2 ARG 27 1HB ARG 27 1.737 6.438 -11.110 185 HB3 ARG 27 2HB ARG 27 0.398 7.178 -11.978 186 HG2 ARG 27 1HG ARG 27 2.680 7.834 -12.765 187 HG3 ARG 27 2HG ARG 27 1.618 9.177 -12.337 188 HD2 ARG 27 1HD ARG 27 2.743 9.526 -10.281 189 HD3 ARG 27 2HD ARG 27 3.615 8.000 -10.418 190 HE ARG 27 HE ARG 27 4.312 10.512 -11.626 191 HH11 ARG 27 1HH1 ARG 27 4.617 7.051 -11.846 192 HH12 ARG 27 2HH1 ARG 27 6.092 7.108 -12.756 193 HH21 ARG 27 1HH2 ARG 27 6.252 10.600 -12.820 194 HH22 ARG 27 2HH2 ARG 27 7.022 9.128 -13.307 195 H LYS 28 H LYS 28 -1.484 8.051 -11.343 196 HA LYS 28 HA LYS 28 -3.347 7.083 -9.431 197 HB2 LYS 28 1HB LYS 28 -3.962 8.626 -11.256 198 HB3 LYS 28 2HB LYS 28 -3.646 7.354 -12.429 199 HG2 LYS 28 1HG LYS 28 -5.510 6.122 -11.778 200 HG3 LYS 28 2HG LYS 28 -5.645 6.964 -10.234 201 HD2 LYS 28 1HD LYS 28 -6.692 8.774 -11.158 202 HD3 LYS 28 2HD LYS 28 -5.906 8.566 -12.725 203 HE2 LYS 28 1HE LYS 28 -7.325 6.590 -13.139 204 HE3 LYS 28 2HE LYS 28 -8.139 6.874 -11.600 205 HZ1 LYS 28 3HZ LYS 28 -9.167 8.761 -12.392 206 HZ2 LYS 28 1HZ LYS 28 -9.179 7.773 -13.766 207 HZ3 LYS 28 2HZ LYS 28 -8.036 9.011 -13.623 208 H ASN 29 H ASN 29 -4.265 5.098 -9.167 209 HA ASN 29 HA ASN 29 -4.408 2.827 -9.176 210 HB2 ASN 29 1HB ASN 29 -4.224 3.559 -12.058 211 HB3 ASN 29 2HB ASN 29 -4.058 1.857 -11.637 212 HD21 ASN 29 1HD2 ASN 29 -6.196 4.096 -12.593 213 HD22 ASN 29 2HD2 ASN 29 -7.653 3.428 -11.945 214 H ASP 30 H ASP 30 -1.964 3.771 -8.342 215 HA ASP 30 HA ASP 30 -0.024 1.929 -9.568 216 HB2 ASP 30 1HB ASP 30 0.274 4.539 -8.124 217 HB3 ASP 30 2HB ASP 30 1.611 3.392 -8.140 218 H ILE 31 H ILE 31 1.044 0.429 -8.340 219 HA ILE 31 HA ILE 31 -0.175 -0.215 -5.786 220 HB ILE 31 HB ILE 31 1.937 -1.707 -7.348 221 HG12 ILE 31 1HG1 ILE 31 -0.185 -1.579 -8.559 222 HG13 ILE 31 2HG1 ILE 31 0.090 -3.216 -7.972 223 HG21 ILE 31 1HG2 ILE 31 2.224 -2.617 -5.287 224 HG22 ILE 31 2HG2 ILE 31 0.601 -2.186 -4.749 225 HG23 ILE 31 3HG2 ILE 31 0.841 -3.580 -5.804 226 HD11 ILE 31 3HD1 ILE 31 -2.062 -3.017 -7.352 227 HD12 ILE 31 1HD1 ILE 31 -1.341 -2.261 -5.930 228 HD13 ILE 31 2HD1 ILE 31 -1.982 -1.259 -7.233 229 H ILE 32 H ILE 32 0.702 0.155 -3.852 230 HA ILE 32 HA ILE 32 3.572 0.788 -3.702 231 HB ILE 32 HB ILE 32 1.391 2.249 -2.205 232 HG12 ILE 32 1HG1 ILE 32 3.248 3.556 -4.151 233 HG13 ILE 32 2HG1 ILE 32 1.866 2.661 -4.774 234 HG21 ILE 32 1HG2 ILE 32 3.367 3.761 -1.629 235 HG22 ILE 32 2HG2 ILE 32 3.264 2.208 -0.801 236 HG23 ILE 32 3HG2 ILE 32 4.387 2.417 -2.144 237 HD11 ILE 32 3HD1 ILE 32 1.571 5.149 -4.425 238 HD12 ILE 32 1HD1 ILE 32 0.334 4.097 -3.738 239 HD13 ILE 32 2HD1 ILE 32 1.573 4.801 -2.696 240 H THR 33 H THR 33 4.655 -0.209 -2.112 241 HA THR 33 HA THR 33 3.285 -2.166 -0.511 242 HB THR 33 HB THR 33 6.196 -1.355 -0.604 243 HG1 THR 33 1HG THR 33 4.876 -2.663 -2.337 244 HG21 THR 33 3HG2 THR 33 6.576 -2.583 1.214 245 HG22 THR 33 1HG2 THR 33 5.759 -3.964 0.487 246 HG23 THR 33 2HG2 THR 33 4.836 -2.785 1.417 247 H ILE 34 H ILE 34 2.849 -2.122 1.635 248 HA ILE 34 HA ILE 34 3.215 0.445 2.995 249 HB ILE 34 HB ILE 34 1.472 -1.908 3.741 250 HG12 ILE 34 1HG1 ILE 34 0.756 0.791 2.575 251 HG13 ILE 34 2HG1 ILE 34 0.735 -0.738 1.702 252 HG21 ILE 34 1HG2 ILE 34 1.128 0.805 4.910 253 HG22 ILE 34 2HG2 ILE 34 0.756 -0.777 5.593 254 HG23 ILE 34 3HG2 ILE 34 2.427 -0.217 5.528 255 HD11 ILE 34 3HD1 ILE 34 -1.390 -0.927 2.280 256 HD12 ILE 34 1HD1 ILE 34 -0.850 -1.174 3.942 257 HD13 ILE 34 2HD1 ILE 34 -1.275 0.445 3.382 258 H ILE 35 H ILE 35 5.010 0.601 4.168 259 HA ILE 35 HA ILE 35 6.258 -1.739 5.324 260 HB ILE 35 HB ILE 35 7.073 1.157 5.591 261 HG12 ILE 35 1HG1 ILE 35 6.974 0.327 3.228 262 HG13 ILE 35 2HG1 ILE 35 8.588 0.793 3.756 263 HG21 ILE 35 1HG2 ILE 35 9.346 -0.256 5.820 264 HG22 ILE 35 2HG2 ILE 35 8.351 0.215 7.196 265 HG23 ILE 35 3HG2 ILE 35 8.204 -1.405 6.515 266 HD11 ILE 35 3HD1 ILE 35 8.335 -1.935 4.343 267 HD12 ILE 35 1HD1 ILE 35 7.673 -1.707 2.724 268 HD13 ILE 35 2HD1 ILE 35 9.317 -1.179 3.087 269 H SER 36 H SER 36 5.267 1.421 6.661 270 HA SER 36 HA SER 36 4.277 0.045 9.049 271 HB2 SER 36 1HB SER 36 6.730 1.036 9.215 272 HB3 SER 36 2HB SER 36 5.857 2.550 9.460 273 HG SER 36 HG SER 36 5.003 0.348 10.930 274 H GLN 37 H GLN 37 2.864 1.382 10.370 275 HA GLN 37 HA GLN 37 1.507 3.432 8.750 276 HB2 GLN 37 1HB GLN 37 0.336 1.851 11.041 277 HB3 GLN 37 2HB GLN 37 -0.528 2.882 9.907 278 HG2 GLN 37 1HG GLN 37 0.876 0.306 9.234 279 HG3 GLN 37 2HG GLN 37 -0.864 0.527 9.408 280 HE21 GLN 37 1HE2 GLN 37 -1.884 0.658 7.556 281 HE22 GLN 37 2HE2 GLN 37 -1.267 1.335 6.092 282 H LYS 38 H LYS 38 1.301 5.453 9.503 283 HA LYS 38 HA LYS 38 2.474 6.044 12.124 284 HB2 LYS 38 1HB LYS 38 1.957 7.728 9.681 285 HB3 LYS 38 2HB LYS 38 2.390 8.440 11.229 286 HG2 LYS 38 1HG LYS 38 4.424 6.890 11.161 287 HG3 LYS 38 2HG LYS 38 4.032 6.669 9.454 288 HD2 LYS 38 1HD LYS 38 4.452 8.899 8.942 289 HD3 LYS 38 2HD LYS 38 4.269 9.419 10.618 290 HE2 LYS 38 1HE LYS 38 6.517 7.684 9.606 291 HE3 LYS 38 2HE LYS 38 6.622 9.433 9.802 292 HZ1 LYS 38 3HZ LYS 38 6.737 9.267 12.035 293 HZ2 LYS 38 1HZ LYS 38 7.345 7.727 11.686 294 HZ3 LYS 38 2HZ LYS 38 5.720 7.915 12.119 295 H ASP 39 H ASP 39 -0.160 7.446 10.165 296 HA ASP 39 HA ASP 39 -1.803 7.526 12.608 297 HB2 ASP 39 1HB ASP 39 -0.796 9.765 11.624 298 HB3 ASP 39 2HB ASP 39 -2.148 9.619 10.506 299 H GLU 40 H GLU 40 -4.191 8.003 11.958 300 HA GLU 40 HA GLU 40 -5.178 5.809 10.579 301 HB2 GLU 40 1HB GLU 40 -6.411 8.462 11.284 302 HB3 GLU 40 2HB GLU 40 -7.323 7.225 10.431 303 HG2 GLU 40 1HG GLU 40 -7.324 5.787 12.239 304 HG3 GLU 40 2HG GLU 40 -5.925 6.560 12.983 305 H HIS 41 H HIS 41 -4.853 9.164 9.439 306 HA HIS 41 HA HIS 41 -5.342 8.228 6.698 307 HB2 HIS 41 1HB HIS 41 -5.682 10.853 8.083 308 HB3 HIS 41 2HB HIS 41 -5.364 10.851 6.351 309 HD1 HIS 41 1HD HIS 41 -7.095 8.943 5.099 310 HD2 HIS 41 2HD HIS 41 -8.332 10.905 8.546 311 HE1 HIS 41 1HE HIS 41 -9.604 8.771 5.107 312 HE2 HIS 41 2HE HIS 41 -10.335 10.039 7.157 313 H CYS 42 H CYS 42 -2.816 7.883 8.186 314 HA CYS 42 HA CYS 42 -1.063 9.034 6.163 315 HB2 CYS 42 1HB CYS 42 -0.472 9.345 9.113 316 HB3 CYS 42 2HB CYS 42 0.518 9.918 7.776 317 HG CYS 42 HG CYS 42 -0.538 12.220 8.656 318 H TRP 43 H TRP 43 -0.301 7.195 5.320 319 HA TRP 43 HA TRP 43 0.785 5.180 7.177 320 HB2 TRP 43 1HB TRP 43 -0.476 4.806 4.454 321 HB3 TRP 43 2HB TRP 43 0.390 3.535 5.313 322 HD1 TRP 43 HD TRP 43 -1.102 4.869 8.139 323 HE1 TRP 43 1HE TRP 43 -3.443 3.923 8.644 324 HE3 TRP 43 3HE TRP 43 -2.190 2.893 3.550 325 HZ2 TRP 43 2HZ TRP 43 -5.478 2.524 7.280 326 HZ3 TRP 43 3HZ TRP 43 -4.354 1.767 3.234 327 HH2 TRP 43 HH TRP 43 -5.963 1.587 5.061 328 H VAL 44 H VAL 44 2.704 4.073 6.517 329 HA VAL 44 HA VAL 44 4.362 5.673 4.682 330 HB VAL 44 HB VAL 44 5.245 3.916 6.976 331 HG11 VAL 44 1HG1 VAL 44 7.016 5.830 5.516 332 HG12 VAL 44 2HG1 VAL 44 7.445 4.408 6.468 333 HG13 VAL 44 3HG1 VAL 44 6.736 4.215 4.864 334 HG21 VAL 44 3HG2 VAL 44 4.119 6.341 7.225 335 HG22 VAL 44 1HG2 VAL 44 5.384 5.745 8.299 336 HG23 VAL 44 2HG2 VAL 44 5.796 6.816 6.959 337 H GLY 45 H GLY 45 4.676 4.742 2.774 338 HA2 GLY 45 1HA GLY 45 4.907 1.797 2.685 339 HA3 GLY 45 2HA GLY 45 4.146 2.737 1.411 340 H GLU 46 H GLU 46 5.782 1.390 0.182 341 HA GLU 46 HA GLU 46 8.235 2.979 -0.101 342 HB2 GLU 46 1HB GLU 46 8.496 0.705 1.141 343 HB3 GLU 46 2HB GLU 46 8.306 0.000 -0.459 344 HG2 GLU 46 1HG GLU 46 10.238 1.190 -1.263 345 HG3 GLU 46 2HG GLU 46 10.396 2.038 0.273 346 H LEU 47 H LEU 47 8.458 3.705 -2.104 347 HA LEU 47 HA LEU 47 7.761 2.053 -4.377 348 HB2 LEU 47 1HB LEU 47 5.678 3.313 -3.652 349 HB3 LEU 47 2HB LEU 47 6.518 4.782 -4.148 350 HG LEU 47 HG LEU 47 6.753 3.426 -6.420 351 HD11 LEU 47 1HD1 LEU 47 5.691 1.454 -6.235 352 HD12 LEU 47 2HD1 LEU 47 4.247 2.423 -6.527 353 HD13 LEU 47 3HD1 LEU 47 4.701 1.992 -4.877 354 HD21 LEU 47 3HD2 LEU 47 5.121 4.809 -7.274 355 HD22 LEU 47 1HD2 LEU 47 5.519 5.630 -5.764 356 HD23 LEU 47 2HD2 LEU 47 4.074 4.623 -5.866 357 H ASN 48 H ASN 48 8.591 2.869 -6.381 358 HA ASN 48 HA ASN 48 10.362 3.663 -7.590 359 HB2 ASN 48 1HB ASN 48 9.328 6.118 -6.180 360 HB3 ASN 48 2HB ASN 48 10.624 6.207 -7.369 361 HD21 ASN 48 1HD2 ASN 48 7.269 5.338 -6.857 362 HD22 ASN 48 2HD2 ASN 48 6.781 5.487 -8.508 363 H GLY 49 H GLY 49 11.075 2.484 -5.062 364 HA2 GLY 49 1HA GLY 49 12.983 2.184 -3.816 365 HA3 GLY 49 2HA GLY 49 13.785 3.283 -4.928 366 H LEU 50 H LEU 50 10.974 4.125 -3.001 367 HA LEU 50 HA LEU 50 12.686 5.811 -1.303 368 HB2 LEU 50 1HB LEU 50 10.007 6.633 -2.406 369 HB3 LEU 50 2HB LEU 50 11.103 7.614 -1.436 370 HG LEU 50 HG LEU 50 11.672 6.644 -4.236 371 HD11 LEU 50 1HD1 LEU 50 11.512 9.317 -4.439 372 HD12 LEU 50 2HD1 LEU 50 10.307 9.036 -3.182 373 HD13 LEU 50 3HD1 LEU 50 10.155 8.232 -4.745 374 HD21 LEU 50 3HD2 LEU 50 13.549 7.190 -2.477 375 HD22 LEU 50 1HD2 LEU 50 13.127 8.856 -2.872 376 HD23 LEU 50 2HD2 LEU 50 13.672 7.760 -4.142 377 H ARG 51 H ARG 51 11.593 6.524 0.709 378 HA ARG 51 HA ARG 51 9.406 4.796 1.585 379 HB2 ARG 51 1HB ARG 51 11.844 3.920 2.140 380 HB3 ARG 51 2HB ARG 51 11.720 5.095 3.443 381 HG2 ARG 51 1HG ARG 51 9.477 3.942 3.970 382 HG3 ARG 51 2HG ARG 51 10.102 2.627 2.973 383 HD2 ARG 51 1HD ARG 51 10.836 1.973 5.045 384 HD3 ARG 51 2HD ARG 51 12.224 2.906 4.488 385 HE ARG 51 HE ARG 51 11.753 4.519 6.071 386 HH11 ARG 51 1HH1 ARG 51 9.155 2.207 5.901 387 HH12 ARG 51 2HH1 ARG 51 8.383 2.775 7.344 388 HH21 ARG 51 1HH2 ARG 51 10.745 5.273 7.972 389 HH22 ARG 51 2HH2 ARG 51 9.287 4.519 8.522 390 H GLY 52 H GLY 52 7.931 6.294 2.100 391 HA2 GLY 52 1HA GLY 52 8.575 8.175 4.228 392 HA3 GLY 52 2HA GLY 52 8.081 8.888 2.699 393 H TRP 53 H TRP 53 6.361 9.785 4.107 394 HA TRP 53 HA TRP 53 4.241 7.856 4.724 395 HB2 TRP 53 1HB TRP 53 3.316 9.468 6.184 396 HB3 TRP 53 2HB TRP 53 5.057 9.572 6.433 397 HD1 TRP 53 HD TRP 53 6.233 11.623 4.776 398 HE1 TRP 53 1HE TRP 53 5.369 14.034 4.510 399 HE3 TRP 53 3HE TRP 53 1.399 10.924 6.284 400 HZ2 TRP 53 2HZ TRP 53 2.959 15.450 4.890 401 HZ3 TRP 53 3HZ TRP 53 -0.122 12.858 6.304 402 HH2 TRP 53 HH TRP 53 0.645 15.074 5.621 403 H PHE 54 H PHE 54 1.968 8.662 4.305 404 HA PHE 54 HA PHE 54 1.473 10.563 2.269 405 HB2 PHE 54 1HB PHE 54 0.864 9.081 0.434 406 HB3 PHE 54 2HB PHE 54 2.552 8.833 0.870 407 HD1 PHE 54 1HD PHE 54 -0.855 7.449 1.380 408 HD2 PHE 54 2HD PHE 54 3.337 6.706 1.383 409 HE1 PHE 54 1HE PHE 54 -1.285 5.043 1.651 410 HE2 PHE 54 2HE PHE 54 2.913 4.298 1.653 411 HZ PHE 54 HZ PHE 54 0.599 3.463 1.786 412 HA PRO 55 HA PRO 55 -2.570 10.149 3.931 413 HB2 PRO 55 1HB PRO 55 -4.051 11.146 1.886 414 HB3 PRO 55 2HB PRO 55 -3.045 12.161 2.928 415 HG2 PRO 55 1HG PRO 55 -2.460 11.085 0.196 416 HG3 PRO 55 2HG PRO 55 -2.154 12.705 0.851 417 HD2 PRO 55 1HD PRO 55 -0.215 10.826 0.646 418 HD3 PRO 55 2HD PRO 55 -0.237 12.038 1.943 419 H ALA 56 H ALA 56 -3.291 8.107 4.182 420 HA ALA 56 HA ALA 56 -3.470 6.112 2.278 421 HB1 ALA 56 3HB ALA 56 -4.128 4.904 4.021 422 HB2 ALA 56 1HB ALA 56 -4.117 6.388 4.977 423 HB3 ALA 56 2HB ALA 56 -5.604 5.853 4.192 424 H LYS 57 H LYS 57 -5.719 8.693 3.011 425 HA LYS 57 HA LYS 57 -8.013 7.747 1.756 426 HB2 LYS 57 1HB LYS 57 -8.776 9.991 1.716 427 HB3 LYS 57 2HB LYS 57 -7.762 9.849 3.146 428 HG2 LYS 57 1HG LYS 57 -6.107 11.172 2.275 429 HG3 LYS 57 2HG LYS 57 -6.539 10.801 0.604 430 HD2 LYS 57 1HD LYS 57 -8.523 12.263 2.268 431 HD3 LYS 57 2HD LYS 57 -7.100 13.146 1.710 432 HE2 LYS 57 1HE LYS 57 -7.680 12.943 -0.512 433 HE3 LYS 57 2HE LYS 57 -8.658 11.502 -0.232 434 HZ1 LYS 57 3HZ LYS 57 -9.888 13.635 -0.732 435 HZ2 LYS 57 1HZ LYS 57 -9.441 14.156 0.814 436 HZ3 LYS 57 2HZ LYS 57 -10.403 12.776 0.630 437 H PHE 58 H PHE 58 -5.087 9.080 0.404 438 HA PHE 58 HA PHE 58 -6.132 9.543 -2.211 439 HB2 PHE 58 1HB PHE 58 -3.440 9.556 -0.943 440 HB3 PHE 58 2HB PHE 58 -3.507 9.357 -2.691 441 HD1 PHE 58 2HD PHE 58 -4.749 11.547 0.046 442 HD2 PHE 58 1HD PHE 58 -3.670 11.215 -4.059 443 HE1 PHE 58 2HE PHE 58 -5.008 13.979 -0.214 444 HE2 PHE 58 1HE PHE 58 -3.925 13.648 -4.325 445 HZ PHE 58 HZ PHE 58 -4.597 15.033 -2.403 446 H VAL 59 H VAL 59 -4.845 6.794 -0.538 447 HA VAL 59 HA VAL 59 -4.918 5.238 -3.039 448 HB VAL 59 HB VAL 59 -3.355 3.683 -2.075 449 HG11 VAL 59 1HG1 VAL 59 -2.551 6.569 -1.836 450 HG12 VAL 59 2HG1 VAL 59 -1.401 5.243 -1.657 451 HG13 VAL 59 3HG1 VAL 59 -2.268 5.461 -3.177 452 HG21 VAL 59 3HG2 VAL 59 -2.451 3.881 0.133 453 HG22 VAL 59 1HG2 VAL 59 -3.300 5.405 0.397 454 HG23 VAL 59 2HG2 VAL 59 -4.210 3.901 0.262 455 H GLU 60 H GLU 60 -5.305 2.804 -2.506 456 HA GLU 60 HA GLU 60 -7.448 2.571 -0.503 457 HB2 GLU 60 1HB GLU 60 -8.380 2.817 -2.805 458 HB3 GLU 60 2HB GLU 60 -7.522 1.354 -3.269 459 HG2 GLU 60 1HG GLU 60 -8.907 -0.014 -2.055 460 HG3 GLU 60 2HG GLU 60 -9.377 1.269 -0.941 461 H VAL 61 H VAL 61 -7.271 0.867 0.806 462 HA VAL 61 HA VAL 61 -5.004 -0.759 0.861 463 HB VAL 61 HB VAL 61 -7.702 -1.305 2.108 464 HG11 VAL 61 1HG1 VAL 61 -4.994 -2.535 2.519 465 HG12 VAL 61 2HG1 VAL 61 -6.250 -2.599 3.756 466 HG13 VAL 61 3HG1 VAL 61 -6.527 -3.337 2.177 467 HG21 VAL 61 3HG2 VAL 61 -5.473 -0.323 3.753 468 HG22 VAL 61 1HG2 VAL 61 -6.113 0.836 2.587 469 HG23 VAL 61 2HG2 VAL 61 -7.184 0.105 3.784 470 H LEU 62 H LEU 62 -4.839 -3.084 0.609 471 HA LEU 62 HA LEU 62 -6.782 -4.329 -1.179 472 HB2 LEU 62 1HB LEU 62 -3.908 -4.628 -1.889 473 HB3 LEU 62 2HB LEU 62 -5.341 -4.770 -2.907 474 HG LEU 62 HG LEU 62 -4.472 -2.107 -1.838 475 HD11 LEU 62 1HD1 LEU 62 -3.355 -1.851 -4.118 476 HD12 LEU 62 2HD1 LEU 62 -3.358 -3.614 -4.182 477 HD13 LEU 62 3HD1 LEU 62 -2.493 -2.781 -2.891 478 HD21 LEU 62 3HD2 LEU 62 -6.492 -3.129 -3.646 479 HD22 LEU 62 1HD2 LEU 62 -5.492 -1.889 -4.404 480 HD23 LEU 62 2HD2 LEU 62 -6.343 -1.537 -2.899 481 H ASP 63 H ASP 63 -7.040 -6.463 -0.815 482 HA ASP 63 HA ASP 63 -5.179 -7.733 1.084 483 HB2 ASP 63 1HB ASP 63 -8.139 -8.221 0.695 484 HB3 ASP 63 2HB ASP 63 -7.102 -9.142 1.782 485 H GLU 64 H GLU 64 -3.821 -8.851 -0.217 486 HA GLU 64 HA GLU 64 -4.451 -10.072 -2.642 487 HB2 GLU 64 1HB GLU 64 -2.276 -10.550 -0.623 488 HB3 GLU 64 2HB GLU 64 -2.397 -11.535 -2.074 489 HG2 GLU 64 1HG GLU 64 -2.046 -9.665 -3.483 490 HG3 GLU 64 2HG GLU 64 -2.239 -8.537 -2.143 491 H ARG 65 H ARG 65 -4.458 -11.392 0.645 492 HA ARG 65 HA ARG 65 -4.878 -14.052 0.177 493 HB2 ARG 65 1HB ARG 65 -4.815 -12.619 2.400 494 HB3 ARG 65 2HB ARG 65 -6.564 -12.736 2.259 495 HG2 ARG 65 1HG ARG 65 -4.740 -15.126 2.229 496 HG3 ARG 65 2HG ARG 65 -5.479 -14.477 3.693 497 HD2 ARG 65 1HD ARG 65 -7.692 -14.690 2.329 498 HD3 ARG 65 2HD ARG 65 -6.759 -15.826 1.356 499 HE ARG 65 HE ARG 65 -7.811 -16.269 3.971 500 HH11 ARG 65 1HH1 ARG 65 -5.200 -17.088 1.818 501 HH12 ARG 65 2HH1 ARG 65 -4.884 -18.616 2.571 502 HH21 ARG 65 1HH2 ARG 65 -7.406 -18.279 4.971 503 HH22 ARG 65 2HH2 ARG 65 -6.140 -19.293 4.365 504 H SER 66 H SER 66 -7.460 -11.614 0.525 505 HA SER 66 HA SER 66 -9.638 -13.210 -0.001 506 HB2 SER 66 1HB SER 66 -9.074 -10.304 -0.460 507 HB3 SER 66 2HB SER 66 -10.575 -10.996 -1.078 508 HG SER 66 HG SER 66 -11.285 -11.281 0.915 509 H LYS 67 H LYS 67 -9.457 -14.722 -1.586 510 HA LYS 67 HA LYS 67 -9.112 -13.717 -4.335 511 HB2 LYS 67 1HB LYS 67 -7.291 -15.252 -3.384 512 HB3 LYS 67 2HB LYS 67 -8.490 -16.534 -3.472 513 HG2 LYS 67 1HG LYS 67 -8.008 -14.912 -5.910 514 HG3 LYS 67 2HG LYS 67 -6.780 -16.086 -5.428 515 HD2 LYS 67 1HD LYS 67 -8.869 -17.674 -5.199 516 HD3 LYS 67 2HD LYS 67 -9.586 -16.525 -6.332 517 HE2 LYS 67 1HE LYS 67 -8.657 -18.094 -7.751 518 HE3 LYS 67 2HE LYS 67 -7.390 -16.869 -7.673 519 HZ1 LYS 67 3HZ LYS 67 -7.218 -18.946 -5.663 520 HZ2 LYS 67 1HZ LYS 67 -6.002 -18.253 -6.615 521 HZ3 LYS 67 2HZ LYS 67 -6.982 -19.475 -7.253 522 H GLU 68 H GLU 68 -11.330 -13.398 -4.645 523 HA GLU 68 HA GLU 68 -12.946 -15.862 -4.687 524 HB2 GLU 68 1HB GLU 68 -13.539 -13.746 -3.188 525 HB3 GLU 68 2HB GLU 68 -14.250 -13.183 -4.693 526 HG2 GLU 68 1HG GLU 68 -15.322 -15.606 -4.652 527 HG3 GLU 68 2HG GLU 68 -15.067 -15.409 -2.919 528 H TYR 69 H TYR 69 -14.620 -15.937 -6.378 529 HA TYR 69 HA TYR 69 -13.558 -14.853 -8.884 530 HB2 TYR 69 1HB TYR 69 -15.749 -16.896 -8.734 531 HB3 TYR 69 2HB TYR 69 -14.550 -16.647 -9.997 532 HD1 TYR 69 1HD TYR 69 -12.019 -16.705 -8.642 533 HD2 TYR 69 2HD TYR 69 -15.501 -19.027 -7.880 534 HE1 TYR 69 1HE TYR 69 -10.618 -18.474 -7.666 535 HE2 TYR 69 2HE TYR 69 -14.109 -20.802 -6.900 536 HH TYR 69 HH TYR 69 -10.782 -20.952 -7.281 537 H SER 70 H SER 70 -14.423 -12.971 -9.456 538 HA SER 70 HA SER 70 -17.349 -12.681 -9.298 539 HB2 SER 70 1HB SER 70 -15.831 -11.305 -7.623 540 HB3 SER 70 2HB SER 70 -15.610 -10.263 -9.029 541 HG SER 70 HG SER 70 -17.892 -10.755 -7.511 542 H ILE 71 H ILE 71 -17.411 -13.359 -11.496 543 HA ILE 71 HA ILE 71 -16.536 -11.266 -13.377 544 HB ILE 71 HB ILE 71 -16.646 -14.237 -13.913 545 HG12 ILE 71 1HG1 ILE 71 -14.719 -13.591 -12.543 546 HG13 ILE 71 2HG1 ILE 71 -14.206 -14.054 -14.162 547 HG21 ILE 71 1HG2 ILE 71 -17.288 -12.995 -15.878 548 HG22 ILE 71 2HG2 ILE 71 -15.893 -11.932 -15.701 549 HG23 ILE 71 3HG2 ILE 71 -15.660 -13.634 -16.098 550 HD11 ILE 71 3HD1 ILE 71 -13.796 -11.595 -12.751 551 HD12 ILE 71 1HD1 ILE 71 -13.093 -12.150 -14.271 552 HD13 ILE 71 2HD1 ILE 71 -14.639 -11.299 -14.271 553 H ALA 72 H ALA 72 -17.974 -10.627 -14.932 554 HA ALA 72 HA ALA 72 -20.632 -11.897 -14.882 555 HB1 ALA 72 3HB ALA 72 -21.666 -9.725 -15.129 556 HB2 ALA 72 1HB ALA 72 -20.639 -9.737 -13.696 557 HB3 ALA 72 2HB ALA 72 -20.085 -8.947 -15.172 558 H SER 73 H SER 73 -18.396 -9.890 -16.774 559 HA SER 73 HA SER 73 -19.520 -11.102 -19.213 560 HB2 SER 73 1HB SER 73 -19.963 -8.544 -18.689 561 HB3 SER 73 2HB SER 73 -18.328 -8.362 -19.323 562 HG SER 73 HG SER 73 -19.236 -9.745 -21.128 563 H GLY 74 H GLY 74 -17.843 -12.681 -19.086 564 HA2 GLY 74 1HA GLY 74 -15.490 -11.929 -20.522 565 HA3 GLY 74 2HA GLY 74 -15.131 -12.263 -18.834 566 HA PRO 75 HA PRO 75 -15.432 -16.189 -21.544 567 HB2 PRO 75 1HB PRO 75 -12.785 -16.630 -21.961 568 HB3 PRO 75 2HB PRO 75 -13.791 -15.692 -23.073 569 HG2 PRO 75 1HG PRO 75 -11.917 -14.731 -20.946 570 HG3 PRO 75 2HG PRO 75 -12.141 -14.124 -22.597 571 HD2 PRO 75 1HD PRO 75 -13.235 -12.911 -20.436 572 HD3 PRO 75 2HD PRO 75 -14.019 -12.911 -22.029 573 H SER 76 H SER 76 -14.319 -15.097 -18.639 574 HA SER 76 HA SER 76 -13.256 -17.678 -17.758 575 HB2 SER 76 1HB SER 76 -13.363 -14.992 -16.367 576 HB3 SER 76 2HB SER 76 -12.675 -16.456 -15.665 577 HG SER 76 HG SER 76 -11.647 -14.761 -17.572 578 H SER 77 H SER 77 -14.989 -19.006 -17.498 579 HA SER 77 HA SER 77 -17.346 -18.081 -16.074 580 HB2 SER 77 1HB SER 77 -16.621 -20.496 -17.662 581 HB3 SER 77 2HB SER 77 -17.871 -20.678 -16.431 582 HG SER 77 HG SER 77 -17.912 -19.266 -18.814 583 H GLY 78 H GLY 78 -14.799 -20.527 -15.648 584 HA2 GLY 78 1HA GLY 78 -15.698 -21.470 -13.143 585 HA3 GLY 78 2HA GLY 78 -14.070 -21.648 -13.781 Start of MODEL 16 1 H1 GLY 1 H GLY 1 10.778 -14.557 1.084 2 HA2 GLY 1 1HA GLY 1 13.077 -13.150 1.422 3 HA3 GLY 1 2HA GLY 1 12.873 -13.163 -0.323 4 H SER 2 H SER 2 12.253 -11.161 -0.842 5 HA SER 2 HA SER 2 10.554 -9.589 0.853 6 HB2 SER 2 1HB SER 2 12.337 -8.599 -0.581 7 HB3 SER 2 2HB SER 2 11.397 -9.048 -2.004 8 HG SER 2 HG SER 2 11.164 -6.821 -1.041 9 H SER 3 H SER 3 8.545 -8.571 0.039 10 HA SER 3 HA SER 3 6.353 -8.829 -0.536 11 HB2 SER 3 1HB SER 3 7.455 -8.410 -2.766 12 HB3 SER 3 2HB SER 3 7.459 -10.155 -3.019 13 HG SER 3 HG SER 3 5.520 -8.507 -3.572 14 H GLY 4 H GLY 4 7.268 -10.832 1.161 15 HA2 GLY 4 1HA GLY 4 6.368 -13.390 0.124 16 HA3 GLY 4 2HA GLY 4 6.998 -13.079 1.734 17 H SER 5 H SER 5 5.529 -13.610 3.198 18 HA SER 5 HA SER 5 2.702 -13.455 2.592 19 HB2 SER 5 1HB SER 5 4.236 -14.439 5.002 20 HB3 SER 5 2HB SER 5 2.474 -14.406 4.932 21 HG SER 5 HG SER 5 3.032 -15.594 2.774 22 H SER 6 H SER 6 4.885 -12.090 5.052 23 HA SER 6 HA SER 6 2.871 -10.307 6.059 24 HB2 SER 6 1HB SER 6 5.772 -10.787 6.625 25 HB3 SER 6 2HB SER 6 5.027 -9.292 7.190 26 HG SER 6 HG SER 6 3.892 -11.832 7.700 27 H GLY 7 H GLY 7 2.535 -8.195 5.595 28 HA2 GLY 7 1HA GLY 7 3.690 -6.087 4.824 29 HA3 GLY 7 2HA GLY 7 4.199 -7.047 3.441 30 H ARG 8 H ARG 8 2.275 -4.641 4.078 31 HA ARG 8 HA ARG 8 -0.018 -5.649 2.535 32 HB2 ARG 8 1HB ARG 8 0.288 -3.472 4.564 33 HB3 ARG 8 2HB ARG 8 -0.982 -3.345 3.354 34 HG2 ARG 8 1HG ARG 8 -2.016 -5.345 4.106 35 HG3 ARG 8 2HG ARG 8 -0.640 -5.737 5.139 36 HD2 ARG 8 1HD ARG 8 -2.049 -3.152 5.569 37 HD3 ARG 8 2HD ARG 8 -2.835 -4.635 6.112 38 HE ARG 8 HE ARG 8 -0.481 -3.398 7.237 39 HH11 ARG 8 1HH1 ARG 8 -2.390 -6.296 6.969 40 HH12 ARG 8 2HH1 ARG 8 -1.781 -6.989 8.435 41 HH21 ARG 8 1HH2 ARG 8 0.329 -4.300 9.169 42 HH22 ARG 8 2HH2 ARG 8 -0.235 -5.853 9.687 43 H ARG 9 H ARG 9 -0.987 -4.101 0.984 44 HA ARG 9 HA ARG 9 0.831 -2.100 -0.098 45 HB2 ARG 9 1HB ARG 9 -0.194 -4.401 -1.771 46 HB3 ARG 9 2HB ARG 9 0.731 -3.030 -2.366 47 HG2 ARG 9 1HG ARG 9 2.464 -3.846 -0.561 48 HG3 ARG 9 2HG ARG 9 1.620 -5.380 -0.785 49 HD2 ARG 9 1HD ARG 9 2.528 -3.824 -3.168 50 HD3 ARG 9 2HD ARG 9 3.692 -4.787 -2.261 51 HE ARG 9 HE ARG 9 1.465 -6.386 -2.814 52 HH11 ARG 9 1HH1 ARG 9 4.079 -4.808 -4.485 53 HH12 ARG 9 2HH1 ARG 9 4.127 -5.965 -5.774 54 HH21 ARG 9 1HH2 ARG 9 1.518 -7.916 -4.506 55 HH22 ARG 9 2HH2 ARG 9 2.669 -7.731 -5.785 56 H ALA 10 H ALA 10 -0.248 -0.373 -0.822 57 HA ALA 10 HA ALA 10 -3.154 -0.643 -1.231 58 HB1 ALA 10 3HB ALA 10 -2.570 2.062 -0.827 59 HB2 ALA 10 1HB ALA 10 -3.356 0.954 0.299 60 HB3 ALA 10 2HB ALA 10 -1.608 1.184 0.362 61 H LYS 11 H LYS 11 -4.104 0.267 -3.018 62 HA LYS 11 HA LYS 11 -2.279 0.971 -5.188 63 HB2 LYS 11 1HB LYS 11 -3.945 -0.770 -5.624 64 HB3 LYS 11 2HB LYS 11 -5.239 0.349 -5.218 65 HG2 LYS 11 1HG LYS 11 -4.293 1.798 -7.122 66 HG3 LYS 11 2HG LYS 11 -3.453 0.327 -7.619 67 HD2 LYS 11 1HD LYS 11 -5.446 0.293 -8.845 68 HD3 LYS 11 2HD LYS 11 -5.753 -0.799 -7.491 69 HE2 LYS 11 1HE LYS 11 -7.668 0.451 -7.442 70 HE3 LYS 11 2HE LYS 11 -6.653 1.404 -6.361 71 HZ1 LYS 11 3HZ LYS 11 -7.576 2.949 -7.814 72 HZ2 LYS 11 1HZ LYS 11 -7.371 1.962 -9.172 73 HZ3 LYS 11 2HZ LYS 11 -6.029 2.694 -8.449 74 H ALA 12 H ALA 12 -1.999 2.996 -5.845 75 HA ALA 12 HA ALA 12 -3.310 5.171 -4.570 76 HB1 ALA 12 3HB ALA 12 -0.986 5.264 -5.404 77 HB2 ALA 12 1HB ALA 12 -1.604 5.226 -7.056 78 HB3 ALA 12 2HB ALA 12 -1.984 6.589 -6.002 79 H LEU 13 H LEU 13 -4.997 6.403 -5.197 80 HA LEU 13 HA LEU 13 -6.609 5.448 -7.406 81 HB2 LEU 13 1HB LEU 13 -7.110 7.693 -5.457 82 HB3 LEU 13 2HB LEU 13 -8.281 7.027 -6.592 83 HG LEU 13 HG LEU 13 -7.032 5.414 -4.376 84 HD11 LEU 13 1HD1 LEU 13 -8.197 7.133 -3.252 85 HD12 LEU 13 2HD1 LEU 13 -9.279 5.740 -3.267 86 HD13 LEU 13 3HD1 LEU 13 -9.540 7.072 -4.393 87 HD21 LEU 13 3HD2 LEU 13 -8.100 4.334 -6.442 88 HD22 LEU 13 1HD2 LEU 13 -9.630 4.922 -5.794 89 HD23 LEU 13 2HD2 LEU 13 -8.649 3.798 -4.854 90 H LEU 14 H LEU 14 -4.496 8.105 -6.684 91 HA LEU 14 HA LEU 14 -4.747 9.032 -9.432 92 HB2 LEU 14 1HB LEU 14 -4.849 11.407 -8.656 93 HB3 LEU 14 2HB LEU 14 -6.316 10.466 -8.390 94 HG LEU 14 HG LEU 14 -5.399 10.141 -5.995 95 HD11 LEU 14 1HD1 LEU 14 -3.529 12.119 -7.133 96 HD12 LEU 14 2HD1 LEU 14 -3.302 10.957 -5.827 97 HD13 LEU 14 3HD1 LEU 14 -4.155 12.470 -5.521 98 HD21 LEU 14 3HD2 LEU 14 -6.699 11.913 -5.271 99 HD22 LEU 14 1HD2 LEU 14 -7.318 11.637 -6.900 100 HD23 LEU 14 2HD2 LEU 14 -6.193 12.962 -6.597 101 H ASP 15 H ASP 15 -3.143 11.133 -9.519 102 HA ASP 15 HA ASP 15 -0.562 10.015 -8.776 103 HB2 ASP 15 1HB ASP 15 0.358 11.316 -10.441 104 HB3 ASP 15 2HB ASP 15 -1.280 11.127 -11.064 105 H PHE 16 H PHE 16 0.333 10.523 -6.900 106 HA PHE 16 HA PHE 16 -0.280 13.137 -5.698 107 HB2 PHE 16 1HB PHE 16 -0.952 11.189 -4.348 108 HB3 PHE 16 2HB PHE 16 0.711 10.609 -4.363 109 HD1 PHE 16 1HD PHE 16 -1.424 13.438 -3.271 110 HD2 PHE 16 2HD PHE 16 2.234 11.322 -2.750 111 HE1 PHE 16 1HE PHE 16 -0.953 14.756 -1.246 112 HE2 PHE 16 2HE PHE 16 2.709 12.636 -0.726 113 HZ PHE 16 HZ PHE 16 1.115 14.355 0.030 114 H GLU 17 H GLU 17 1.265 14.553 -6.207 115 HA GLU 17 HA GLU 17 4.026 13.695 -6.499 116 HB2 GLU 17 1HB GLU 17 2.663 16.359 -6.907 117 HB3 GLU 17 2HB GLU 17 4.393 16.115 -7.108 118 HG2 GLU 17 1HG GLU 17 3.898 14.409 -8.836 119 HG3 GLU 17 2HG GLU 17 2.190 14.817 -8.693 120 H ARG 18 H ARG 18 4.602 13.157 -4.381 121 HA ARG 18 HA ARG 18 4.208 14.310 -2.013 122 HB2 ARG 18 1HB ARG 18 6.282 13.485 -1.263 123 HB3 ARG 18 2HB ARG 18 5.833 12.431 -2.597 124 HG2 ARG 18 1HG ARG 18 7.270 14.174 -3.978 125 HG3 ARG 18 2HG ARG 18 8.023 14.419 -2.399 126 HD2 ARG 18 1HD ARG 18 8.073 11.785 -2.394 127 HD3 ARG 18 2HD ARG 18 7.986 12.002 -4.141 128 HE ARG 18 HE ARG 18 9.995 13.645 -3.480 129 HH11 ARG 18 1HH1 ARG 18 9.322 10.340 -2.614 130 HH12 ARG 18 2HH1 ARG 18 10.993 9.905 -2.454 131 HH21 ARG 18 1HH2 ARG 18 12.196 13.085 -3.272 132 HH22 ARG 18 2HH2 ARG 18 12.626 11.468 -2.828 133 H HIS 19 H HIS 19 4.267 16.297 -1.217 134 HA HIS 19 HA HIS 19 5.472 18.454 -2.659 135 HB2 HIS 19 1HB HIS 19 4.076 18.292 0.011 136 HB3 HIS 19 2HB HIS 19 4.734 19.796 -0.625 137 HD1 HIS 19 1HD HIS 19 3.210 21.119 -2.069 138 HD2 HIS 19 2HD HIS 19 2.031 17.146 -1.788 139 HE1 HIS 19 1HE HIS 19 1.010 20.983 -3.281 140 HE2 HIS 19 2HE HIS 19 0.276 18.587 -3.024 141 H ASP 20 H ASP 20 6.173 16.782 0.384 142 HA ASP 20 HA ASP 20 8.722 18.238 0.547 143 HB2 ASP 20 1HB ASP 20 6.969 18.089 2.500 144 HB3 ASP 20 2HB ASP 20 7.692 16.505 2.760 145 H ASP 21 H ASP 21 10.511 16.856 1.607 146 HA ASP 21 HA ASP 21 11.149 14.761 -0.167 147 HB2 ASP 21 1HB ASP 21 12.435 15.152 2.530 148 HB3 ASP 21 2HB ASP 21 13.163 14.523 1.054 149 H ASP 22 H ASP 22 10.112 14.731 3.229 150 HA ASP 22 HA ASP 22 10.241 11.979 3.654 151 HB2 ASP 22 1HB ASP 22 9.717 13.988 5.278 152 HB3 ASP 22 2HB ASP 22 8.046 13.579 4.904 153 H GLU 23 H GLU 23 7.538 13.969 2.491 154 HA GLU 23 HA GLU 23 5.584 12.020 2.315 155 HB2 GLU 23 1HB GLU 23 6.124 14.522 0.759 156 HB3 GLU 23 2HB GLU 23 4.813 13.457 0.269 157 HG2 GLU 23 1HG GLU 23 3.937 13.634 2.619 158 HG3 GLU 23 2HG GLU 23 5.130 14.905 2.881 159 H LEU 24 H LEU 24 5.031 10.458 0.866 160 HA LEU 24 HA LEU 24 7.078 9.752 -1.108 161 HB2 LEU 24 1HB LEU 24 6.582 8.004 0.446 162 HB3 LEU 24 2HB LEU 24 4.850 8.170 0.158 163 HG LEU 24 HG LEU 24 5.301 7.402 -2.210 164 HD11 LEU 24 1HD1 LEU 24 7.534 7.605 -2.648 165 HD12 LEU 24 2HD1 LEU 24 7.466 5.907 -2.176 166 HD13 LEU 24 3HD1 LEU 24 8.013 7.121 -1.020 167 HD21 LEU 24 3HD2 LEU 24 6.048 5.379 -0.114 168 HD22 LEU 24 1HD2 LEU 24 5.174 5.118 -1.623 169 HD23 LEU 24 2HD2 LEU 24 4.409 6.001 -0.302 170 H GLY 25 H GLY 25 6.738 10.258 -3.162 171 HA2 GLY 25 1HA GLY 25 4.036 10.910 -4.056 172 HA3 GLY 25 2HA GLY 25 5.527 11.235 -4.929 173 H PHE 26 H PHE 26 2.869 9.785 -5.510 174 HA PHE 26 HA PHE 26 4.124 7.586 -6.962 175 HB2 PHE 26 1HB PHE 26 2.069 6.160 -6.313 176 HB3 PHE 26 2HB PHE 26 3.363 6.340 -5.131 177 HD1 PHE 26 2HD PHE 26 3.043 7.650 -3.125 178 HD2 PHE 26 1HD PHE 26 -0.080 7.206 -5.982 179 HE1 PHE 26 2HE PHE 26 1.421 8.492 -1.477 180 HE2 PHE 26 1HE PHE 26 -1.708 8.048 -4.339 181 HZ PHE 26 HZ PHE 26 -0.958 8.691 -2.083 182 H ARG 27 H ARG 27 2.818 6.778 -8.728 183 HA ARG 27 HA ARG 27 1.253 8.907 -9.930 184 HB2 ARG 27 1HB ARG 27 2.560 6.410 -10.901 185 HB3 ARG 27 2HB ARG 27 1.206 7.045 -11.825 186 HG2 ARG 27 1HG ARG 27 3.259 7.870 -12.752 187 HG3 ARG 27 2HG ARG 27 2.385 9.207 -12.002 188 HD2 ARG 27 1HD ARG 27 4.491 9.591 -11.190 189 HD3 ARG 27 2HD ARG 27 3.847 8.556 -9.916 190 HE ARG 27 HE ARG 27 5.294 6.884 -10.568 191 HH11 ARG 27 1HH1 ARG 27 5.326 9.470 -12.897 192 HH12 ARG 27 2HH1 ARG 27 6.717 8.871 -13.738 193 HH21 ARG 27 1HH2 ARG 27 7.127 6.084 -11.666 194 HH22 ARG 27 2HH2 ARG 27 7.740 6.944 -13.037 195 H LYS 28 H LYS 28 -0.668 8.031 -11.342 196 HA LYS 28 HA LYS 28 -2.651 7.128 -9.514 197 HB2 LYS 28 1HB LYS 28 -3.081 8.686 -11.415 198 HB3 LYS 28 2HB LYS 28 -2.841 7.341 -12.523 199 HG2 LYS 28 1HG LYS 28 -4.786 6.250 -11.793 200 HG3 LYS 28 2HG LYS 28 -4.912 7.264 -10.353 201 HD2 LYS 28 1HD LYS 28 -5.475 9.184 -11.691 202 HD3 LYS 28 2HD LYS 28 -5.181 8.282 -13.180 203 HE2 LYS 28 1HE LYS 28 -7.041 6.805 -12.680 204 HE3 LYS 28 2HE LYS 28 -7.305 7.622 -11.140 205 HZ1 LYS 28 3HZ LYS 28 -8.415 9.267 -12.128 206 HZ2 LYS 28 1HZ LYS 28 -8.538 8.236 -13.464 207 HZ3 LYS 28 2HZ LYS 28 -7.310 9.397 -13.402 208 H ASN 29 H ASN 29 -3.498 5.150 -9.182 209 HA ASN 29 HA ASN 29 -3.743 2.890 -9.234 210 HB2 ASN 29 1HB ASN 29 -3.372 3.588 -12.111 211 HB3 ASN 29 2HB ASN 29 -3.294 1.887 -11.657 212 HD21 ASN 29 1HD2 ASN 29 -5.281 3.925 -12.988 213 HD22 ASN 29 2HD2 ASN 29 -6.800 3.421 -12.334 214 H ASP 30 H ASP 30 -1.309 3.829 -8.310 215 HA ASP 30 HA ASP 30 0.637 1.904 -9.390 216 HB2 ASP 30 1HB ASP 30 0.990 4.508 -7.913 217 HB3 ASP 30 2HB ASP 30 2.301 3.342 -8.072 218 H ILE 31 H ILE 31 1.272 0.237 -8.177 219 HA ILE 31 HA ILE 31 0.090 -0.131 -5.569 220 HB ILE 31 HB ILE 31 1.991 -1.922 -7.084 221 HG12 ILE 31 1HG1 ILE 31 0.014 -1.742 -8.384 222 HG13 ILE 31 2HG1 ILE 31 -0.150 -3.243 -7.479 223 HG21 ILE 31 1HG2 ILE 31 1.793 -2.178 -4.552 224 HG22 ILE 31 2HG2 ILE 31 0.147 -2.729 -4.858 225 HG23 ILE 31 3HG2 ILE 31 1.514 -3.615 -5.535 226 HD11 ILE 31 3HD1 ILE 31 -1.587 -0.652 -7.118 227 HD12 ILE 31 1HD1 ILE 31 -2.238 -2.282 -7.289 228 HD13 ILE 31 2HD1 ILE 31 -1.453 -1.799 -5.784 229 H ILE 32 H ILE 32 1.023 0.254 -3.668 230 HA ILE 32 HA ILE 32 3.946 0.623 -3.594 231 HB ILE 32 HB ILE 32 1.945 2.128 -1.909 232 HG12 ILE 32 1HG1 ILE 32 3.629 3.419 -4.015 233 HG13 ILE 32 2HG1 ILE 32 2.153 2.592 -4.498 234 HG21 ILE 32 1HG2 ILE 32 4.376 1.630 -1.127 235 HG22 ILE 32 2HG2 ILE 32 4.808 2.881 -2.289 236 HG23 ILE 32 3HG2 ILE 32 3.717 3.255 -0.956 237 HD11 ILE 32 3HD1 ILE 32 2.148 4.664 -2.338 238 HD12 ILE 32 1HD1 ILE 32 2.032 5.098 -4.044 239 HD13 ILE 32 2HD1 ILE 32 0.801 4.069 -3.308 240 H THR 33 H THR 33 5.047 -0.194 -1.843 241 HA THR 33 HA THR 33 3.657 -2.254 -0.347 242 HB THR 33 HB THR 33 6.571 -1.501 -0.560 243 HG1 THR 33 1HG THR 33 5.460 -4.022 -1.148 244 HG21 THR 33 3HG2 THR 33 6.855 -2.407 1.470 245 HG22 THR 33 1HG2 THR 33 6.473 -3.950 0.708 246 HG23 THR 33 2HG2 THR 33 5.205 -3.027 1.515 247 H ILE 34 H ILE 34 2.624 -1.694 1.454 248 HA ILE 34 HA ILE 34 3.182 0.654 2.940 249 HB ILE 34 HB ILE 34 1.589 -1.764 3.802 250 HG12 ILE 34 1HG1 ILE 34 0.780 0.748 2.327 251 HG13 ILE 34 2HG1 ILE 34 0.677 -0.910 1.741 252 HG21 ILE 34 1HG2 ILE 34 1.182 -0.704 5.709 253 HG22 ILE 34 2HG2 ILE 34 2.386 0.498 5.247 254 HG23 ILE 34 3HG2 ILE 34 0.688 0.753 4.848 255 HD11 ILE 34 3HD1 ILE 34 -1.405 -0.969 2.471 256 HD12 ILE 34 1HD1 ILE 34 -0.793 -0.846 4.120 257 HD13 ILE 34 2HD1 ILE 34 -1.230 0.613 3.232 258 H ILE 35 H ILE 35 4.939 0.940 4.137 259 HA ILE 35 HA ILE 35 6.378 -1.296 5.264 260 HB ILE 35 HB ILE 35 6.912 1.654 5.627 261 HG12 ILE 35 1HG1 ILE 35 6.914 0.975 3.243 262 HG13 ILE 35 2HG1 ILE 35 8.513 1.450 3.807 263 HG21 ILE 35 1HG2 ILE 35 8.979 -0.491 5.783 264 HG22 ILE 35 2HG2 ILE 35 8.950 1.100 6.540 265 HG23 ILE 35 3HG2 ILE 35 7.930 -0.194 7.169 266 HD11 ILE 35 3HD1 ILE 35 7.790 -0.908 2.499 267 HD12 ILE 35 1HD1 ILE 35 9.351 -0.506 3.213 268 HD13 ILE 35 2HD1 ILE 35 8.142 -1.368 4.164 269 H SER 36 H SER 36 4.995 1.692 6.646 270 HA SER 36 HA SER 36 4.146 0.170 8.992 271 HB2 SER 36 1HB SER 36 6.470 1.246 9.333 272 HB3 SER 36 2HB SER 36 5.601 2.779 9.378 273 HG SER 36 HG SER 36 4.625 0.717 10.972 274 H GLN 37 H GLN 37 2.950 1.801 10.542 275 HA GLN 37 HA GLN 37 1.324 3.624 8.900 276 HB2 GLN 37 1HB GLN 37 0.305 1.758 11.048 277 HB3 GLN 37 2HB GLN 37 -0.666 2.925 10.162 278 HG2 GLN 37 1HG GLN 37 0.108 1.668 8.061 279 HG3 GLN 37 2HG GLN 37 0.583 0.391 9.179 280 HE21 GLN 37 1HE2 GLN 37 -1.762 1.258 7.156 281 HE22 GLN 37 2HE2 GLN 37 -3.131 0.529 7.919 282 H LYS 38 H LYS 38 2.836 5.219 9.789 283 HA LYS 38 HA LYS 38 3.287 5.818 12.423 284 HB2 LYS 38 1HB LYS 38 4.337 7.044 10.597 285 HB3 LYS 38 2HB LYS 38 2.792 7.756 10.154 286 HG2 LYS 38 1HG LYS 38 3.830 9.450 11.333 287 HG3 LYS 38 2HG LYS 38 2.793 8.704 12.551 288 HD2 LYS 38 1HD LYS 38 4.580 7.683 13.629 289 HD3 LYS 38 2HD LYS 38 5.625 7.790 12.209 290 HE2 LYS 38 1HE LYS 38 5.678 10.250 12.493 291 HE3 LYS 38 2HE LYS 38 4.732 10.071 13.970 292 HZ1 LYS 38 3HZ LYS 38 7.009 8.373 14.005 293 HZ2 LYS 38 1HZ LYS 38 6.554 9.576 15.106 294 HZ3 LYS 38 2HZ LYS 38 7.471 9.979 13.743 295 H ASP 39 H ASP 39 0.504 6.832 10.461 296 HA ASP 39 HA ASP 39 -1.031 7.169 12.931 297 HB2 ASP 39 1HB ASP 39 -1.157 9.212 10.712 298 HB3 ASP 39 2HB ASP 39 -1.888 9.308 12.311 299 H GLU 40 H GLU 40 -3.141 6.563 12.784 300 HA GLU 40 HA GLU 40 -4.020 4.719 11.017 301 HB2 GLU 40 1HB GLU 40 -5.706 6.847 12.346 302 HB3 GLU 40 2HB GLU 40 -6.340 5.384 11.605 303 HG2 GLU 40 1HG GLU 40 -5.475 4.013 13.254 304 HG3 GLU 40 2HG GLU 40 -4.282 5.207 13.761 305 H HIS 41 H HIS 41 -4.231 8.218 10.617 306 HA HIS 41 HA HIS 41 -5.613 7.990 8.087 307 HB2 HIS 41 1HB HIS 41 -4.518 10.323 9.653 308 HB3 HIS 41 2HB HIS 41 -5.195 10.513 8.039 309 HD1 HIS 41 1HD HIS 41 -7.775 9.916 7.788 310 HD2 HIS 41 2HD HIS 41 -6.357 10.172 11.684 311 HE1 HIS 41 1HE HIS 41 -9.822 10.105 9.236 312 HE2 HIS 41 2HE HIS 41 -8.936 10.345 11.582 313 H CYS 42 H CYS 42 -2.385 8.976 9.196 314 HA CYS 42 HA CYS 42 -1.452 8.969 6.420 315 HB2 CYS 42 1HB CYS 42 -0.170 9.982 8.963 316 HB3 CYS 42 2HB CYS 42 0.619 9.996 7.391 317 HG CYS 42 HG CYS 42 -0.099 12.498 7.262 318 H TRP 43 H TRP 43 -0.583 7.169 5.659 319 HA TRP 43 HA TRP 43 0.690 5.307 7.547 320 HB2 TRP 43 1HB TRP 43 -0.508 4.803 4.815 321 HB3 TRP 43 2HB TRP 43 0.318 3.585 5.785 322 HD1 TRP 43 HD TRP 43 -1.225 4.933 8.513 323 HE1 TRP 43 1HE TRP 43 -3.612 4.076 8.953 324 HE3 TRP 43 3HE TRP 43 -2.276 3.045 3.881 325 HZ2 TRP 43 2HZ TRP 43 -5.668 2.772 7.526 326 HZ3 TRP 43 3HZ TRP 43 -4.475 2.008 3.501 327 HH2 TRP 43 HH TRP 43 -6.134 1.875 5.287 328 H VAL 44 H VAL 44 2.366 3.855 6.271 329 HA VAL 44 HA VAL 44 4.101 5.636 4.689 330 HB VAL 44 HB VAL 44 4.988 3.709 6.842 331 HG11 VAL 44 1HG1 VAL 44 6.945 5.559 5.692 332 HG12 VAL 44 2HG1 VAL 44 7.101 3.849 6.102 333 HG13 VAL 44 3HG1 VAL 44 6.365 4.327 4.571 334 HG21 VAL 44 3HG2 VAL 44 4.590 6.646 6.738 335 HG22 VAL 44 1HG2 VAL 44 4.386 5.520 8.080 336 HG23 VAL 44 2HG2 VAL 44 6.001 6.047 7.609 337 H GLY 45 H GLY 45 4.823 4.806 2.827 338 HA2 GLY 45 1HA GLY 45 4.804 1.880 2.492 339 HA3 GLY 45 2HA GLY 45 4.000 2.901 1.310 340 H GLU 46 H GLU 46 5.797 1.331 0.247 341 HA GLU 46 HA GLU 46 8.109 3.087 -0.236 342 HB2 GLU 46 1HB GLU 46 8.684 1.059 1.142 343 HB3 GLU 46 2HB GLU 46 8.226 0.070 -0.237 344 HG2 GLU 46 1HG GLU 46 9.951 1.626 -1.482 345 HG3 GLU 46 2HG GLU 46 10.593 1.817 0.148 346 H LEU 47 H LEU 47 8.991 3.017 -2.352 347 HA LEU 47 HA LEU 47 7.929 1.411 -4.427 348 HB2 LEU 47 1HB LEU 47 6.002 2.940 -3.965 349 HB3 LEU 47 2HB LEU 47 7.028 4.286 -4.458 350 HG LEU 47 HG LEU 47 7.256 2.951 -6.681 351 HD11 LEU 47 1HD1 LEU 47 6.137 1.037 -6.764 352 HD12 LEU 47 2HD1 LEU 47 4.646 1.975 -6.711 353 HD13 LEU 47 3HD1 LEU 47 5.353 1.360 -5.218 354 HD21 LEU 47 3HD2 LEU 47 5.742 4.384 -7.590 355 HD22 LEU 47 1HD2 LEU 47 5.888 5.119 -5.993 356 HD23 LEU 47 2HD2 LEU 47 4.524 4.060 -6.354 357 H ASN 48 H ASN 48 9.314 1.398 -6.099 358 HA ASN 48 HA ASN 48 11.180 1.838 -7.325 359 HB2 ASN 48 1HB ASN 48 10.273 4.672 -6.786 360 HB3 ASN 48 2HB ASN 48 11.547 4.248 -7.925 361 HD21 ASN 48 1HD2 ASN 48 8.275 4.763 -7.523 362 HD22 ASN 48 2HD2 ASN 48 7.718 4.097 -9.015 363 H GLY 49 H GLY 49 11.530 1.416 -4.504 364 HA2 GLY 49 1HA GLY 49 13.375 1.351 -3.110 365 HA3 GLY 49 2HA GLY 49 14.236 2.352 -4.270 366 H LEU 50 H LEU 50 11.290 3.743 -3.488 367 HA LEU 50 HA LEU 50 12.516 5.375 -1.364 368 HB2 LEU 50 1HB LEU 50 10.537 6.567 -3.243 369 HB3 LEU 50 2HB LEU 50 11.820 7.346 -2.319 370 HG LEU 50 HG LEU 50 12.277 5.619 -4.750 371 HD11 LEU 50 1HD1 LEU 50 11.413 8.363 -4.515 372 HD12 LEU 50 2HD1 LEU 50 11.592 7.357 -5.951 373 HD13 LEU 50 3HD1 LEU 50 12.978 8.247 -5.320 374 HD21 LEU 50 3HD2 LEU 50 14.242 7.598 -3.744 375 HD22 LEU 50 1HD2 LEU 50 14.498 6.042 -4.534 376 HD23 LEU 50 2HD2 LEU 50 14.052 6.102 -2.829 377 H ARG 51 H ARG 51 11.353 5.556 0.442 378 HA ARG 51 HA ARG 51 8.471 4.970 0.324 379 HB2 ARG 51 1HB ARG 51 8.758 3.913 2.607 380 HB3 ARG 51 2HB ARG 51 9.425 3.007 1.255 381 HG2 ARG 51 1HG ARG 51 11.577 3.321 1.923 382 HG3 ARG 51 2HG ARG 51 11.230 4.871 2.691 383 HD2 ARG 51 1HD ARG 51 10.136 3.743 4.536 384 HD3 ARG 51 2HD ARG 51 10.373 2.181 3.752 385 HE ARG 51 HE ARG 51 12.577 2.199 4.425 386 HH11 ARG 51 1HH1 ARG 51 11.129 5.311 5.008 387 HH12 ARG 51 2HH1 ARG 51 12.451 5.892 5.964 388 HH21 ARG 51 1HH2 ARG 51 14.324 2.953 5.681 389 HH22 ARG 51 2HH2 ARG 51 14.270 4.551 6.345 390 H GLY 52 H GLY 52 7.224 5.873 2.116 391 HA2 GLY 52 1HA GLY 52 8.248 7.686 3.991 392 HA3 GLY 52 2HA GLY 52 7.815 8.592 2.549 393 H TRP 53 H TRP 53 6.411 9.530 4.384 394 HA TRP 53 HA TRP 53 4.052 7.975 5.010 395 HB2 TRP 53 1HB TRP 53 3.478 9.678 6.498 396 HB3 TRP 53 2HB TRP 53 5.238 9.721 6.521 397 HD1 TRP 53 HD TRP 53 6.431 11.847 5.437 398 HE1 TRP 53 1HE TRP 53 5.559 14.188 4.820 399 HE3 TRP 53 3HE TRP 53 1.409 10.913 5.610 400 HZ2 TRP 53 2HZ TRP 53 3.071 15.470 4.454 401 HZ3 TRP 53 3HZ TRP 53 -0.150 12.752 5.114 402 HH2 TRP 53 HH TRP 53 0.666 14.982 4.549 403 H PHE 54 H PHE 54 1.888 8.683 4.510 404 HA PHE 54 HA PHE 54 1.345 10.710 2.612 405 HB2 PHE 54 1HB PHE 54 0.790 9.371 0.669 406 HB3 PHE 54 2HB PHE 54 2.469 9.080 1.113 407 HD1 PHE 54 1HD PHE 54 -0.951 7.686 1.536 408 HD2 PHE 54 2HD PHE 54 3.233 6.913 1.404 409 HE1 PHE 54 1HE PHE 54 -1.399 5.269 1.619 410 HE2 PHE 54 2HE PHE 54 2.792 4.495 1.486 411 HZ PHE 54 HZ PHE 54 0.473 3.669 1.593 412 HA PRO 55 HA PRO 55 -2.695 10.089 4.217 413 HB2 PRO 55 1HB PRO 55 -4.202 11.134 2.217 414 HB3 PRO 55 2HB PRO 55 -3.233 12.130 3.308 415 HG2 PRO 55 1HG PRO 55 -2.609 11.202 0.530 416 HG3 PRO 55 2HG PRO 55 -2.356 12.798 1.260 417 HD2 PRO 55 1HD PRO 55 -0.357 10.993 0.974 418 HD3 PRO 55 2HD PRO 55 -0.420 12.142 2.325 419 H ALA 56 H ALA 56 -3.387 8.033 4.375 420 HA ALA 56 HA ALA 56 -3.471 6.093 2.416 421 HB1 ALA 56 3HB ALA 56 -4.384 4.782 3.998 422 HB2 ALA 56 1HB ALA 56 -4.053 6.151 5.060 423 HB3 ALA 56 2HB ALA 56 -5.662 5.940 4.369 424 H LYS 57 H LYS 57 -5.905 8.509 3.236 425 HA LYS 57 HA LYS 57 -8.084 7.591 1.829 426 HB2 LYS 57 1HB LYS 57 -8.784 9.936 1.634 427 HB3 LYS 57 2HB LYS 57 -8.160 9.583 3.239 428 HG2 LYS 57 1HG LYS 57 -6.080 10.670 2.730 429 HG3 LYS 57 2HG LYS 57 -6.568 10.901 1.049 430 HD2 LYS 57 1HD LYS 57 -8.166 12.512 1.614 431 HD3 LYS 57 2HD LYS 57 -8.193 12.022 3.309 432 HE2 LYS 57 1HE LYS 57 -5.799 13.258 1.963 433 HE3 LYS 57 2HE LYS 57 -7.015 14.189 2.838 434 HZ1 LYS 57 3HZ LYS 57 -6.483 13.015 4.840 435 HZ2 LYS 57 1HZ LYS 57 -5.049 13.632 4.189 436 HZ3 LYS 57 2HZ LYS 57 -5.414 11.989 4.025 437 H PHE 58 H PHE 58 -5.210 9.210 0.612 438 HA PHE 58 HA PHE 58 -6.144 9.672 -2.013 439 HB2 PHE 58 1HB PHE 58 -3.493 9.643 -0.665 440 HB3 PHE 58 2HB PHE 58 -3.506 9.515 -2.422 441 HD1 PHE 58 2HD PHE 58 -4.818 11.591 0.369 442 HD2 PHE 58 1HD PHE 58 -3.656 11.424 -3.722 443 HE1 PHE 58 2HE PHE 58 -5.078 14.031 0.198 444 HE2 PHE 58 1HE PHE 58 -3.914 13.864 -3.899 445 HZ PHE 58 HZ PHE 58 -4.628 15.172 -1.938 446 H VAL 59 H VAL 59 -4.848 6.874 -0.417 447 HA VAL 59 HA VAL 59 -4.861 5.413 -2.976 448 HB VAL 59 HB VAL 59 -3.283 3.863 -2.082 449 HG11 VAL 59 1HG1 VAL 59 -1.387 5.404 -1.436 450 HG12 VAL 59 2HG1 VAL 59 -2.204 5.781 -2.955 451 HG13 VAL 59 3HG1 VAL 59 -2.554 6.726 -1.506 452 HG21 VAL 59 3HG2 VAL 59 -4.165 3.713 0.187 453 HG22 VAL 59 1HG2 VAL 59 -2.427 4.008 0.207 454 HG23 VAL 59 2HG2 VAL 59 -3.548 5.326 0.544 455 H GLU 60 H GLU 60 -5.273 2.972 -2.585 456 HA GLU 60 HA GLU 60 -7.472 2.652 -0.653 457 HB2 GLU 60 1HB GLU 60 -8.149 2.927 -3.122 458 HB3 GLU 60 2HB GLU 60 -7.469 1.323 -3.353 459 HG2 GLU 60 1HG GLU 60 -9.934 1.382 -3.000 460 HG3 GLU 60 2HG GLU 60 -9.049 0.344 -1.883 461 H VAL 61 H VAL 61 -7.537 0.764 0.469 462 HA VAL 61 HA VAL 61 -5.172 -0.818 0.569 463 HB VAL 61 HB VAL 61 -7.859 -1.324 1.857 464 HG11 VAL 61 1HG1 VAL 61 -6.816 -3.360 2.054 465 HG12 VAL 61 2HG1 VAL 61 -5.199 -2.653 2.078 466 HG13 VAL 61 3HG1 VAL 61 -6.231 -2.548 3.505 467 HG21 VAL 61 3HG2 VAL 61 -6.034 -0.494 3.782 468 HG22 VAL 61 1HG2 VAL 61 -5.754 0.581 2.410 469 HG23 VAL 61 2HG2 VAL 61 -7.366 0.450 3.114 470 H LEU 62 H LEU 62 -5.013 -3.108 0.241 471 HA LEU 62 HA LEU 62 -7.023 -4.292 -1.528 472 HB2 LEU 62 1HB LEU 62 -4.163 -4.728 -2.207 473 HB3 LEU 62 2HB LEU 62 -5.586 -4.774 -3.243 474 HG LEU 62 HG LEU 62 -4.666 -2.159 -2.129 475 HD11 LEU 62 1HD1 LEU 62 -2.936 -3.795 -3.555 476 HD12 LEU 62 2HD1 LEU 62 -2.800 -2.052 -3.327 477 HD13 LEU 62 3HD1 LEU 62 -3.600 -2.692 -4.762 478 HD21 LEU 62 3HD2 LEU 62 -6.480 -1.619 -3.327 479 HD22 LEU 62 1HD2 LEU 62 -6.477 -3.152 -4.199 480 HD23 LEU 62 2HD2 LEU 62 -5.434 -1.833 -4.732 481 H ASP 63 H ASP 63 -7.651 -6.083 -0.535 482 HA ASP 63 HA ASP 63 -5.883 -7.485 1.279 483 HB2 ASP 63 1HB ASP 63 -7.796 -8.757 1.925 484 HB3 ASP 63 2HB ASP 63 -8.338 -7.093 1.729 485 H GLU 64 H GLU 64 -5.036 -7.504 -1.429 486 HA GLU 64 HA GLU 64 -4.605 -8.897 -3.227 487 HB2 GLU 64 1HB GLU 64 -3.942 -10.688 -0.882 488 HB3 GLU 64 2HB GLU 64 -3.301 -10.843 -2.512 489 HG2 GLU 64 1HG GLU 64 -1.576 -9.738 -1.552 490 HG3 GLU 64 2HG GLU 64 -2.539 -8.354 -2.064 491 H ARG 65 H ARG 65 -7.336 -8.963 -2.760 492 HA ARG 65 HA ARG 65 -8.203 -11.718 -2.628 493 HB2 ARG 65 1HB ARG 65 -10.438 -10.852 -2.797 494 HB3 ARG 65 2HB ARG 65 -9.540 -9.840 -1.674 495 HG2 ARG 65 1HG ARG 65 -9.564 -8.031 -3.060 496 HG3 ARG 65 2HG ARG 65 -9.634 -9.015 -4.523 497 HD2 ARG 65 1HD ARG 65 -11.968 -9.598 -3.984 498 HD3 ARG 65 2HD ARG 65 -11.884 -8.551 -2.568 499 HE ARG 65 HE ARG 65 -11.202 -6.898 -4.593 500 HH11 ARG 65 1HH1 ARG 65 -13.876 -9.066 -4.081 501 HH12 ARG 65 2HH1 ARG 65 -14.990 -8.122 -5.012 502 HH21 ARG 65 1HH2 ARG 65 -12.659 -5.644 -5.821 503 HH22 ARG 65 2HH2 ARG 65 -14.297 -6.175 -6.003 504 H SER 66 H SER 66 -6.392 -11.205 -4.736 505 HA SER 66 HA SER 66 -7.878 -10.947 -7.192 506 HB2 SER 66 1HB SER 66 -5.514 -10.161 -6.925 507 HB3 SER 66 2HB SER 66 -5.014 -11.848 -6.818 508 HG SER 66 HG SER 66 -6.505 -10.850 -9.004 509 H LYS 67 H LYS 67 -9.275 -12.579 -7.559 510 HA LYS 67 HA LYS 67 -8.226 -15.137 -8.286 511 HB2 LYS 67 1HB LYS 67 -9.503 -16.484 -6.700 512 HB3 LYS 67 2HB LYS 67 -8.363 -15.443 -5.854 513 HG2 LYS 67 1HG LYS 67 -10.216 -15.154 -4.561 514 HG3 LYS 67 2HG LYS 67 -10.437 -13.836 -5.715 515 HD2 LYS 67 1HD LYS 67 -12.038 -15.067 -6.952 516 HD3 LYS 67 2HD LYS 67 -11.639 -16.567 -6.112 517 HE2 LYS 67 1HE LYS 67 -12.718 -14.178 -4.649 518 HE3 LYS 67 2HE LYS 67 -13.787 -15.341 -5.432 519 HZ1 LYS 67 3HZ LYS 67 -13.353 -15.778 -3.038 520 HZ2 LYS 67 1HZ LYS 67 -11.737 -16.093 -3.425 521 HZ3 LYS 67 2HZ LYS 67 -12.963 -17.072 -4.054 522 H GLU 68 H GLU 68 -10.168 -16.678 -8.788 523 HA GLU 68 HA GLU 68 -12.220 -15.049 -10.132 524 HB2 GLU 68 1HB GLU 68 -10.853 -17.609 -10.883 525 HB3 GLU 68 2HB GLU 68 -12.451 -17.249 -11.524 526 HG2 GLU 68 1HG GLU 68 -10.348 -15.166 -11.755 527 HG3 GLU 68 2HG GLU 68 -10.250 -16.579 -12.806 528 H TYR 69 H TYR 69 -14.256 -16.467 -10.610 529 HA TYR 69 HA TYR 69 -15.005 -17.811 -8.096 530 HB2 TYR 69 1HB TYR 69 -16.573 -15.975 -9.893 531 HB3 TYR 69 2HB TYR 69 -17.379 -17.078 -8.783 532 HD1 TYR 69 2HD TYR 69 -14.386 -14.850 -8.495 533 HD2 TYR 69 1HD TYR 69 -18.196 -15.946 -6.952 534 HE1 TYR 69 2HE TYR 69 -14.116 -13.213 -6.680 535 HE2 TYR 69 1HE TYR 69 -17.937 -14.310 -5.133 536 HH TYR 69 HH TYR 69 -16.724 -12.414 -4.521 537 H SER 70 H SER 70 -16.691 -19.459 -8.291 538 HA SER 70 HA SER 70 -16.626 -20.810 -10.910 539 HB2 SER 70 1HB SER 70 -15.313 -21.830 -8.877 540 HB3 SER 70 2HB SER 70 -16.914 -22.358 -8.359 541 HG SER 70 HG SER 70 -15.509 -23.030 -10.716 542 H ILE 71 H ILE 71 -18.575 -20.671 -11.796 543 HA ILE 71 HA ILE 71 -20.914 -21.297 -10.132 544 HB ILE 71 HB ILE 71 -20.789 -19.065 -12.164 545 HG12 ILE 71 1HG1 ILE 71 -21.566 -17.848 -9.921 546 HG13 ILE 71 2HG1 ILE 71 -20.664 -19.169 -9.187 547 HG21 ILE 71 1HG2 ILE 71 -23.144 -18.791 -10.799 548 HG22 ILE 71 2HG2 ILE 71 -22.969 -19.510 -12.400 549 HG23 ILE 71 3HG2 ILE 71 -23.009 -20.541 -10.969 550 HD11 ILE 71 3HD1 ILE 71 -18.680 -18.332 -9.815 551 HD12 ILE 71 1HD1 ILE 71 -19.289 -17.759 -11.367 552 HD13 ILE 71 2HD1 ILE 71 -19.582 -16.819 -9.903 553 H ALA 72 H ALA 72 -22.086 -22.891 -10.961 554 HA ALA 72 HA ALA 72 -21.528 -23.852 -13.635 555 HB1 ALA 72 3HB ALA 72 -23.599 -25.008 -11.804 556 HB2 ALA 72 1HB ALA 72 -22.625 -25.816 -13.033 557 HB3 ALA 72 2HB ALA 72 -21.879 -25.283 -11.525 558 H SER 73 H SER 73 -23.471 -24.603 -14.965 559 HA SER 73 HA SER 73 -25.195 -22.293 -15.350 560 HB2 SER 73 1HB SER 73 -24.881 -24.807 -17.007 561 HB3 SER 73 2HB SER 73 -25.825 -23.390 -17.465 562 HG SER 73 HG SER 73 -23.582 -22.346 -16.968 563 H GLY 74 H GLY 74 -27.510 -22.967 -16.197 564 HA2 GLY 74 1HA GLY 74 -28.759 -25.222 -15.012 565 HA3 GLY 74 2HA GLY 74 -28.995 -23.801 -14.004 566 HA PRO 75 HA PRO 75 -32.526 -22.822 -16.424 567 HB2 PRO 75 1HB PRO 75 -32.699 -20.163 -15.904 568 HB3 PRO 75 2HB PRO 75 -33.121 -21.402 -14.718 569 HG2 PRO 75 1HG PRO 75 -30.598 -19.813 -14.983 570 HG3 PRO 75 2HG PRO 75 -31.512 -20.226 -13.521 571 HD2 PRO 75 1HD PRO 75 -29.278 -21.560 -14.265 572 HD3 PRO 75 2HD PRO 75 -30.619 -22.346 -13.406 573 H SER 76 H SER 76 -29.808 -20.534 -16.708 574 HA SER 76 HA SER 76 -29.925 -20.708 -19.592 575 HB2 SER 76 1HB SER 76 -31.594 -18.914 -18.918 576 HB3 SER 76 2HB SER 76 -30.220 -17.982 -18.320 577 HG SER 76 HG SER 76 -31.072 -17.808 -20.670 578 H SER 77 H SER 77 -28.024 -20.069 -20.597 579 HA SER 77 HA SER 77 -25.766 -19.674 -18.771 580 HB2 SER 77 1HB SER 77 -25.871 -21.574 -20.514 581 HB3 SER 77 2HB SER 77 -25.535 -20.316 -21.704 582 HG SER 77 HG SER 77 -23.811 -21.588 -20.161 583 H GLY 78 H GLY 78 -24.108 -18.139 -19.266 584 HA2 GLY 78 1HA GLY 78 -24.975 -15.962 -21.061 585 HA3 GLY 78 2HA GLY 78 -24.414 -15.620 -19.430 Start of MODEL 17 1 H1 GLY 1 H GLY 1 15.210 -10.389 7.565 2 HA2 GLY 1 1HA GLY 1 13.464 -10.055 9.834 3 HA3 GLY 1 2HA GLY 1 12.857 -9.298 8.369 4 H SER 2 H SER 2 13.380 -12.255 10.056 5 HA SER 2 HA SER 2 13.037 -14.097 7.970 6 HB2 SER 2 1HB SER 2 13.820 -14.682 10.259 7 HB3 SER 2 2HB SER 2 12.180 -14.419 10.857 8 HG SER 2 HG SER 2 12.589 -16.626 10.398 9 H SER 3 H SER 3 10.663 -12.614 10.157 10 HA SER 3 HA SER 3 8.387 -13.937 9.282 11 HB2 SER 3 1HB SER 3 8.633 -12.304 11.240 12 HB3 SER 3 2HB SER 3 8.398 -11.019 10.055 13 HG SER 3 HG SER 3 6.583 -12.786 11.127 14 H GLY 4 H GLY 4 6.803 -13.486 7.739 15 HA2 GLY 4 1HA GLY 4 7.605 -11.574 5.636 16 HA3 GLY 4 2HA GLY 4 7.017 -13.183 5.247 17 H SER 5 H SER 5 4.925 -13.343 7.124 18 HA SER 5 HA SER 5 2.747 -12.477 5.798 19 HB2 SER 5 1HB SER 5 3.108 -12.612 8.797 20 HB3 SER 5 2HB SER 5 1.544 -12.420 8.009 21 HG SER 5 HG SER 5 1.685 -14.431 7.200 22 H SER 6 H SER 6 4.470 -10.585 8.262 23 HA SER 6 HA SER 6 2.842 -8.331 8.262 24 HB2 SER 6 1HB SER 6 4.907 -7.110 9.035 25 HB3 SER 6 2HB SER 6 4.535 -8.570 9.950 26 HG SER 6 HG SER 6 6.451 -9.226 9.430 27 H GLY 7 H GLY 7 2.161 -7.578 6.310 28 HA2 GLY 7 1HA GLY 7 3.622 -5.718 4.906 29 HA3 GLY 7 2HA GLY 7 3.910 -7.238 4.073 30 H ARG 8 H ARG 8 2.287 -4.602 3.625 31 HA ARG 8 HA ARG 8 -0.000 -5.984 2.415 32 HB2 ARG 8 1HB ARG 8 -0.068 -3.721 4.358 33 HB3 ARG 8 2HB ARG 8 -1.245 -3.729 3.051 34 HG2 ARG 8 1HG ARG 8 -1.600 -6.217 3.875 35 HG3 ARG 8 2HG ARG 8 -0.982 -5.539 5.382 36 HD2 ARG 8 1HD ARG 8 -2.743 -3.999 5.541 37 HD3 ARG 8 2HD ARG 8 -3.195 -4.213 3.850 38 HE ARG 8 HE ARG 8 -4.407 -6.081 4.430 39 HH11 ARG 8 1HH1 ARG 8 -2.441 -5.066 7.118 40 HH12 ARG 8 2HH1 ARG 8 -3.210 -6.126 8.251 41 HH21 ARG 8 1HH2 ARG 8 -5.429 -7.482 5.912 42 HH22 ARG 8 2HH2 ARG 8 -4.909 -7.501 7.563 43 H ARG 9 H ARG 9 -1.226 -4.262 0.979 44 HA ARG 9 HA ARG 9 0.613 -2.400 -0.298 45 HB2 ARG 9 1HB ARG 9 -0.690 -4.691 -1.782 46 HB3 ARG 9 2HB ARG 9 0.138 -3.343 -2.549 47 HG2 ARG 9 1HG ARG 9 2.104 -4.129 -0.958 48 HG3 ARG 9 2HG ARG 9 1.243 -5.665 -1.078 49 HD2 ARG 9 1HD ARG 9 1.829 -4.103 -3.553 50 HD3 ARG 9 2HD ARG 9 3.110 -5.054 -2.805 51 HE ARG 9 HE ARG 9 0.699 -6.548 -3.187 52 HH11 ARG 9 1HH1 ARG 9 3.601 -5.413 -4.738 53 HH12 ARG 9 2HH1 ARG 9 3.622 -6.681 -5.919 54 HH21 ARG 9 1HH2 ARG 9 0.715 -8.222 -4.736 55 HH22 ARG 9 2HH2 ARG 9 1.979 -8.278 -5.918 56 H ALA 10 H ALA 10 -0.397 -0.711 -1.323 57 HA ALA 10 HA ALA 10 -3.343 -0.746 -1.341 58 HB1 ALA 10 3HB ALA 10 -3.468 1.415 -0.456 59 HB2 ALA 10 1HB ALA 10 -2.242 0.612 0.525 60 HB3 ALA 10 2HB ALA 10 -1.759 1.733 -0.749 61 H LYS 11 H LYS 11 -4.321 0.005 -3.139 62 HA LYS 11 HA LYS 11 -2.629 0.646 -5.412 63 HB2 LYS 11 1HB LYS 11 -4.576 -0.976 -5.507 64 HB3 LYS 11 2HB LYS 11 -5.638 0.419 -5.368 65 HG2 LYS 11 1HG LYS 11 -4.517 1.340 -7.425 66 HG3 LYS 11 2HG LYS 11 -3.737 -0.234 -7.601 67 HD2 LYS 11 1HD LYS 11 -5.627 -0.407 -8.953 68 HD3 LYS 11 2HD LYS 11 -6.122 -1.195 -7.453 69 HE2 LYS 11 1HE LYS 11 -7.934 0.156 -7.842 70 HE3 LYS 11 2HE LYS 11 -6.953 1.214 -6.831 71 HZ1 LYS 11 3HZ LYS 11 -7.143 1.282 -9.793 72 HZ2 LYS 11 1HZ LYS 11 -6.087 2.236 -8.877 73 HZ3 LYS 11 2HZ LYS 11 -7.760 2.430 -8.716 74 H ALA 12 H ALA 12 -2.361 2.614 -6.267 75 HA ALA 12 HA ALA 12 -3.386 4.908 -4.896 76 HB1 ALA 12 3HB ALA 12 -1.802 4.722 -7.454 77 HB2 ALA 12 1HB ALA 12 -2.114 6.199 -6.541 78 HB3 ALA 12 2HB ALA 12 -1.140 4.911 -5.830 79 H LEU 13 H LEU 13 -5.474 5.419 -5.128 80 HA LEU 13 HA LEU 13 -7.073 4.808 -7.354 81 HB2 LEU 13 1HB LEU 13 -7.545 7.047 -5.399 82 HB3 LEU 13 2HB LEU 13 -8.750 6.185 -6.354 83 HG LEU 13 HG LEU 13 -7.106 4.764 -4.286 84 HD11 LEU 13 1HD1 LEU 13 -9.115 5.123 -2.783 85 HD12 LEU 13 2HD1 LEU 13 -9.571 6.431 -3.873 86 HD13 LEU 13 3HD1 LEU 13 -8.040 6.503 -3.003 87 HD21 LEU 13 3HD2 LEU 13 -9.134 4.042 -6.139 88 HD22 LEU 13 1HD2 LEU 13 -9.790 3.880 -4.511 89 HD23 LEU 13 2HD2 LEU 13 -8.311 3.028 -4.954 90 H LEU 14 H LEU 14 -5.095 7.591 -6.583 91 HA LEU 14 HA LEU 14 -5.451 8.558 -9.312 92 HB2 LEU 14 1HB LEU 14 -5.919 10.798 -8.678 93 HB3 LEU 14 2HB LEU 14 -7.078 9.756 -7.856 94 HG LEU 14 HG LEU 14 -4.611 10.646 -6.421 95 HD11 LEU 14 1HD1 LEU 14 -7.132 12.277 -6.695 96 HD12 LEU 14 2HD1 LEU 14 -5.563 12.682 -7.394 97 HD13 LEU 14 3HD1 LEU 14 -5.763 12.637 -5.642 98 HD21 LEU 14 3HD2 LEU 14 -7.423 9.928 -5.608 99 HD22 LEU 14 1HD2 LEU 14 -6.189 10.528 -4.499 100 HD23 LEU 14 2HD2 LEU 14 -5.955 8.989 -5.330 101 H ASP 15 H ASP 15 -3.909 10.536 -9.634 102 HA ASP 15 HA ASP 15 -1.280 9.617 -8.898 103 HB2 ASP 15 1HB ASP 15 -1.372 10.377 -11.107 104 HB3 ASP 15 2HB ASP 15 -2.338 11.787 -10.681 105 H PHE 16 H PHE 16 0.234 10.679 -7.645 106 HA PHE 16 HA PHE 16 -0.578 13.123 -6.265 107 HB2 PHE 16 1HB PHE 16 -1.305 11.297 -4.799 108 HB3 PHE 16 2HB PHE 16 0.318 10.615 -4.831 109 HD1 PHE 16 1HD PHE 16 -1.363 13.856 -4.058 110 HD2 PHE 16 2HD PHE 16 1.684 11.062 -3.045 111 HE1 PHE 16 1HE PHE 16 -0.756 15.229 -2.109 112 HE2 PHE 16 2HE PHE 16 2.295 12.430 -1.095 113 HZ PHE 16 HZ PHE 16 1.075 14.516 -0.623 114 H GLU 17 H GLU 17 1.020 14.528 -6.488 115 HA GLU 17 HA GLU 17 3.750 13.539 -6.880 116 HB2 GLU 17 1HB GLU 17 2.605 16.299 -7.339 117 HB3 GLU 17 2HB GLU 17 4.244 15.791 -7.726 118 HG2 GLU 17 1HG GLU 17 2.999 13.970 -9.147 119 HG3 GLU 17 2HG GLU 17 1.682 15.138 -9.086 120 H ARG 18 H ARG 18 4.567 13.177 -4.871 121 HA ARG 18 HA ARG 18 4.100 14.524 -2.528 122 HB2 ARG 18 1HB ARG 18 6.091 13.566 -1.677 123 HB3 ARG 18 2HB ARG 18 5.490 12.431 -2.878 124 HG2 ARG 18 1HG ARG 18 7.496 14.487 -3.676 125 HG3 ARG 18 2HG ARG 18 8.016 13.048 -2.798 126 HD2 ARG 18 1HD ARG 18 8.221 12.295 -4.946 127 HD3 ARG 18 2HD ARG 18 6.555 11.825 -4.615 128 HE ARG 18 HE ARG 18 6.264 14.278 -5.675 129 HH11 ARG 18 1HH1 ARG 18 8.050 11.475 -6.705 130 HH12 ARG 18 2HH1 ARG 18 7.899 11.838 -8.392 131 HH21 ARG 18 1HH2 ARG 18 6.059 14.767 -7.893 132 HH22 ARG 18 2HH2 ARG 18 6.768 13.711 -9.067 133 H HIS 19 H HIS 19 5.255 16.148 -1.366 134 HA HIS 19 HA HIS 19 6.469 18.159 -3.136 135 HB2 HIS 19 1HB HIS 19 5.038 18.480 -0.492 136 HB3 HIS 19 2HB HIS 19 5.840 19.794 -1.348 137 HD1 HIS 19 1HD HIS 19 2.635 18.209 -0.996 138 HD2 HIS 19 2HD HIS 19 4.648 20.169 -4.057 139 HE1 HIS 19 1HE HIS 19 0.862 18.862 -2.656 140 HE2 HIS 19 2HE HIS 19 2.114 19.971 -4.539 141 H ASP 20 H ASP 20 6.692 16.884 0.182 142 HA ASP 20 HA ASP 20 9.398 17.932 0.428 143 HB2 ASP 20 1HB ASP 20 7.757 18.098 2.310 144 HB3 ASP 20 2HB ASP 20 7.796 16.342 2.440 145 H ASP 21 H ASP 21 11.235 16.705 0.590 146 HA ASP 21 HA ASP 21 11.578 14.452 -0.879 147 HB2 ASP 21 1HB ASP 21 13.053 15.335 1.601 148 HB3 ASP 21 2HB ASP 21 13.577 13.969 0.623 149 H ASP 22 H ASP 22 10.515 14.620 2.468 150 HA ASP 22 HA ASP 22 10.658 11.833 2.989 151 HB2 ASP 22 1HB ASP 22 9.234 14.133 4.303 152 HB3 ASP 22 2HB ASP 22 8.973 12.477 4.846 153 H GLU 23 H GLU 23 7.965 13.975 2.087 154 HA GLU 23 HA GLU 23 5.896 12.156 2.100 155 HB2 GLU 23 1HB GLU 23 6.414 14.508 0.282 156 HB3 GLU 23 2HB GLU 23 4.915 13.590 0.241 157 HG2 GLU 23 1HG GLU 23 4.827 14.097 2.780 158 HG3 GLU 23 2HG GLU 23 5.982 15.368 2.387 159 H LEU 24 H LEU 24 5.220 10.521 0.831 160 HA LEU 24 HA LEU 24 6.962 9.759 -1.402 161 HB2 LEU 24 1HB LEU 24 6.653 8.127 0.404 162 HB3 LEU 24 2HB LEU 24 4.915 8.139 0.109 163 HG LEU 24 HG LEU 24 5.412 7.263 -2.201 164 HD11 LEU 24 1HD1 LEU 24 7.689 6.009 -2.207 165 HD12 LEU 24 2HD1 LEU 24 8.160 7.235 -1.031 166 HD13 LEU 24 3HD1 LEU 24 7.631 7.718 -2.642 167 HD21 LEU 24 3HD2 LEU 24 4.817 5.337 -1.277 168 HD22 LEU 24 1HD2 LEU 24 5.311 5.942 0.304 169 HD23 LEU 24 2HD2 LEU 24 6.469 5.083 -0.713 170 H GLY 25 H GLY 25 6.289 10.017 -3.424 171 HA2 GLY 25 1HA GLY 25 3.447 10.590 -3.888 172 HA3 GLY 25 2HA GLY 25 4.768 11.001 -4.972 173 H PHE 26 H PHE 26 2.764 9.929 -6.232 174 HA PHE 26 HA PHE 26 3.787 7.543 -7.336 175 HB2 PHE 26 1HB PHE 26 1.627 6.196 -6.716 176 HB3 PHE 26 2HB PHE 26 2.982 6.243 -5.595 177 HD1 PHE 26 2HD PHE 26 2.850 7.525 -3.536 178 HD2 PHE 26 1HD PHE 26 -0.442 7.322 -6.228 179 HE1 PHE 26 2HE PHE 26 1.364 8.396 -1.780 180 HE2 PHE 26 1HE PHE 26 -1.932 8.194 -4.475 181 HZ PHE 26 HZ PHE 26 -1.030 8.731 -2.248 182 H ARG 27 H ARG 27 1.922 6.472 -8.755 183 HA ARG 27 HA ARG 27 0.474 8.702 -10.027 184 HB2 ARG 27 1HB ARG 27 2.015 6.413 -11.169 185 HB3 ARG 27 2HB ARG 27 0.633 7.029 -12.067 186 HG2 ARG 27 1HG ARG 27 2.834 8.826 -11.103 187 HG3 ARG 27 2HG ARG 27 2.915 7.974 -12.647 188 HD2 ARG 27 1HD ARG 27 1.017 9.107 -13.480 189 HD3 ARG 27 2HD ARG 27 0.592 9.721 -11.883 190 HE ARG 27 HE ARG 27 2.125 11.415 -12.150 191 HH11 ARG 27 1HH1 ARG 27 2.543 9.038 -14.658 192 HH12 ARG 27 2HH1 ARG 27 3.630 10.018 -15.587 193 HH21 ARG 27 1HH2 ARG 27 3.555 12.714 -13.363 194 HH22 ARG 27 2HH2 ARG 27 4.205 12.108 -14.849 195 H LYS 28 H LYS 28 -1.335 7.742 -11.528 196 HA LYS 28 HA LYS 28 -3.216 6.486 -9.794 197 HB2 LYS 28 1HB LYS 28 -3.788 8.164 -11.567 198 HB3 LYS 28 2HB LYS 28 -3.448 6.930 -12.776 199 HG2 LYS 28 1HG LYS 28 -5.237 5.544 -11.902 200 HG3 LYS 28 2HG LYS 28 -5.557 6.730 -10.635 201 HD2 LYS 28 1HD LYS 28 -5.777 8.348 -12.727 202 HD3 LYS 28 2HD LYS 28 -6.174 6.833 -13.542 203 HE2 LYS 28 1HE LYS 28 -7.516 7.790 -11.019 204 HE3 LYS 28 2HE LYS 28 -8.143 8.089 -12.640 205 HZ1 LYS 28 3HZ LYS 28 -8.272 5.699 -12.988 206 HZ2 LYS 28 1HZ LYS 28 -9.188 6.161 -11.642 207 HZ3 LYS 28 2HZ LYS 28 -7.684 5.419 -11.427 208 H ASN 29 H ASN 29 -4.041 4.430 -9.814 209 HA ASN 29 HA ASN 29 -4.066 2.171 -10.086 210 HB2 ASN 29 1HB ASN 29 -3.198 2.962 -12.872 211 HB3 ASN 29 2HB ASN 29 -3.629 1.318 -12.412 212 HD21 ASN 29 1HD2 ASN 29 -4.756 4.100 -13.745 213 HD22 ASN 29 2HD2 ASN 29 -6.451 3.871 -13.501 214 H ASP 30 H ASP 30 -1.812 3.213 -8.846 215 HA ASP 30 HA ASP 30 0.334 1.453 -9.840 216 HB2 ASP 30 1HB ASP 30 0.483 4.074 -8.351 217 HB3 ASP 30 2HB ASP 30 1.862 2.992 -8.513 218 H ILE 31 H ILE 31 1.392 0.116 -8.402 219 HA ILE 31 HA ILE 31 -0.041 -0.381 -5.903 220 HB ILE 31 HB ILE 31 2.070 -2.056 -7.270 221 HG12 ILE 31 1HG1 ILE 31 -0.002 -1.899 -8.581 222 HG13 ILE 31 2HG1 ILE 31 0.206 -3.515 -7.915 223 HG21 ILE 31 1HG2 ILE 31 0.302 -2.608 -4.893 224 HG22 ILE 31 2HG2 ILE 31 1.259 -3.831 -5.729 225 HG23 ILE 31 3HG2 ILE 31 2.062 -2.491 -4.912 226 HD11 ILE 31 3HD1 ILE 31 -2.065 -2.968 -7.649 227 HD12 ILE 31 1HD1 ILE 31 -1.337 -2.808 -6.051 228 HD13 ILE 31 2HD1 ILE 31 -1.685 -1.368 -7.010 229 H ILE 32 H ILE 32 0.740 0.240 -4.006 230 HA ILE 32 HA ILE 32 3.629 0.779 -3.785 231 HB ILE 32 HB ILE 32 1.398 2.268 -2.396 232 HG12 ILE 32 1HG1 ILE 32 3.346 3.481 -4.329 233 HG13 ILE 32 2HG1 ILE 32 1.922 2.642 -4.934 234 HG21 ILE 32 1HG2 ILE 32 4.203 3.227 -2.385 235 HG22 ILE 32 2HG2 ILE 32 2.941 3.396 -1.165 236 HG23 ILE 32 3HG2 ILE 32 3.802 1.867 -1.337 237 HD11 ILE 32 3HD1 ILE 32 2.132 5.297 -4.045 238 HD12 ILE 32 1HD1 ILE 32 0.689 4.437 -4.578 239 HD13 ILE 32 2HD1 ILE 32 1.134 4.442 -2.870 240 H THR 33 H THR 33 4.656 -0.377 -2.298 241 HA THR 33 HA THR 33 3.250 -2.199 -0.606 242 HB THR 33 HB THR 33 6.182 -1.480 -0.736 243 HG1 THR 33 1HG THR 33 4.837 -2.766 -2.443 244 HG21 THR 33 3HG2 THR 33 6.564 -2.713 1.080 245 HG22 THR 33 1HG2 THR 33 5.624 -4.053 0.423 246 HG23 THR 33 2HG2 THR 33 4.822 -2.782 1.346 247 H ILE 34 H ILE 34 2.703 -2.024 1.485 248 HA ILE 34 HA ILE 34 3.206 0.530 2.809 249 HB ILE 34 HB ILE 34 1.396 -1.727 3.674 250 HG12 ILE 34 1HG1 ILE 34 0.754 0.844 2.212 251 HG13 ILE 34 2HG1 ILE 34 0.679 -0.778 1.530 252 HG21 ILE 34 1HG2 ILE 34 1.445 -0.606 5.611 253 HG22 ILE 34 2HG2 ILE 34 2.191 0.812 4.875 254 HG23 ILE 34 3HG2 ILE 34 0.446 0.587 4.782 255 HD11 ILE 34 3HD1 ILE 34 -0.925 -0.913 3.780 256 HD12 ILE 34 1HD1 ILE 34 -1.277 0.668 3.081 257 HD13 ILE 34 2HD1 ILE 34 -1.458 -0.789 2.103 258 H ILE 35 H ILE 35 4.988 0.648 4.002 259 HA ILE 35 HA ILE 35 6.149 -1.712 5.209 260 HB ILE 35 HB ILE 35 7.053 1.162 5.410 261 HG12 ILE 35 1HG1 ILE 35 6.962 0.185 3.077 262 HG13 ILE 35 2HG1 ILE 35 8.552 0.727 3.606 263 HG21 ILE 35 1HG2 ILE 35 8.191 -1.439 6.319 264 HG22 ILE 35 2HG2 ILE 35 9.282 -0.149 5.815 265 HG23 ILE 35 3HG2 ILE 35 8.150 0.122 7.139 266 HD11 ILE 35 3HD1 ILE 35 7.835 -1.778 2.584 267 HD12 ILE 35 1HD1 ILE 35 9.396 -1.278 3.234 268 HD13 ILE 35 2HD1 ILE 35 8.198 -2.026 4.292 269 H SER 36 H SER 36 5.367 1.514 6.522 270 HA SER 36 HA SER 36 4.485 0.182 8.999 271 HB2 SER 36 1HB SER 36 6.736 1.583 8.947 272 HB3 SER 36 2HB SER 36 5.623 2.941 9.108 273 HG SER 36 HG SER 36 4.725 1.447 10.889 274 H GLN 37 H GLN 37 2.827 1.247 10.194 275 HA GLN 37 HA GLN 37 1.187 3.043 8.532 276 HB2 GLN 37 1HB GLN 37 0.370 0.992 10.592 277 HB3 GLN 37 2HB GLN 37 -0.740 2.162 9.894 278 HG2 GLN 37 1HG GLN 37 -0.113 1.229 7.637 279 HG3 GLN 37 2HG GLN 37 0.707 -0.071 8.503 280 HE21 GLN 37 1HE2 GLN 37 -1.661 -0.031 6.702 281 HE22 GLN 37 2HE2 GLN 37 -2.914 -0.820 7.594 282 H LYS 38 H LYS 38 2.392 4.849 9.407 283 HA LYS 38 HA LYS 38 2.855 5.603 11.949 284 HB2 LYS 38 1HB LYS 38 3.024 6.916 9.667 285 HB3 LYS 38 2HB LYS 38 1.506 7.622 10.207 286 HG2 LYS 38 1HG LYS 38 3.082 9.121 10.984 287 HG3 LYS 38 2HG LYS 38 2.776 8.110 12.399 288 HD2 LYS 38 1HD LYS 38 4.775 6.803 11.912 289 HD3 LYS 38 2HD LYS 38 5.069 7.770 10.465 290 HE2 LYS 38 1HE LYS 38 5.148 9.785 11.999 291 HE3 LYS 38 2HE LYS 38 5.191 8.643 13.342 292 HZ1 LYS 38 3HZ LYS 38 7.159 8.698 11.120 293 HZ2 LYS 38 1HZ LYS 38 7.222 7.720 12.499 294 HZ3 LYS 38 2HZ LYS 38 7.408 9.395 12.640 295 H ASP 39 H ASP 39 -0.280 5.937 10.311 296 HA ASP 39 HA ASP 39 -1.727 5.480 12.720 297 HB2 ASP 39 1HB ASP 39 -1.503 8.300 11.685 298 HB3 ASP 39 2HB ASP 39 -2.890 7.769 12.632 299 H GLU 40 H GLU 40 -4.105 5.692 12.374 300 HA GLU 40 HA GLU 40 -4.933 4.355 10.098 301 HB2 GLU 40 1HB GLU 40 -6.148 4.856 12.371 302 HB3 GLU 40 2HB GLU 40 -6.813 6.223 11.488 303 HG2 GLU 40 1HG GLU 40 -7.860 4.804 9.904 304 HG3 GLU 40 2HG GLU 40 -7.001 3.390 10.509 305 H HIS 41 H HIS 41 -4.074 7.620 10.423 306 HA HIS 41 HA HIS 41 -5.564 8.404 8.021 307 HB2 HIS 41 1HB HIS 41 -4.015 10.077 10.010 308 HB3 HIS 41 2HB HIS 41 -4.866 10.714 8.606 309 HD1 HIS 41 1HD HIS 41 -6.888 11.858 9.442 310 HD2 HIS 41 2HD HIS 41 -6.200 8.284 11.446 311 HE1 HIS 41 1HE HIS 41 -8.832 11.583 11.012 312 HE2 HIS 41 2HE HIS 41 -8.351 9.458 12.275 313 H CYS 42 H CYS 42 -2.275 8.750 9.361 314 HA CYS 42 HA CYS 42 -1.243 9.007 6.633 315 HB2 CYS 42 1HB CYS 42 0.925 9.555 7.918 316 HB3 CYS 42 2HB CYS 42 -0.378 10.736 7.958 317 HG CYS 42 HG CYS 42 1.228 9.739 10.459 318 H TRP 43 H TRP 43 -0.153 7.423 5.660 319 HA TRP 43 HA TRP 43 0.741 5.145 7.303 320 HB2 TRP 43 1HB TRP 43 -0.500 5.156 4.550 321 HB3 TRP 43 2HB TRP 43 0.327 3.755 5.227 322 HD1 TRP 43 HD TRP 43 -1.129 4.777 8.208 323 HE1 TRP 43 1HE TRP 43 -3.491 3.832 8.602 324 HE3 TRP 43 3HE TRP 43 -2.257 3.389 3.419 325 HZ2 TRP 43 2HZ TRP 43 -5.558 2.654 7.084 326 HZ3 TRP 43 3HZ TRP 43 -4.446 2.360 2.974 327 HH2 TRP 43 HH TRP 43 -6.061 2.000 4.770 328 H VAL 44 H VAL 44 2.507 3.863 6.293 329 HA VAL 44 HA VAL 44 4.313 5.581 4.719 330 HB VAL 44 HB VAL 44 5.058 3.699 6.960 331 HG11 VAL 44 1HG1 VAL 44 6.659 5.011 4.830 332 HG12 VAL 44 2HG1 VAL 44 7.351 4.921 6.450 333 HG13 VAL 44 3HG1 VAL 44 6.878 3.445 5.609 334 HG21 VAL 44 3HG2 VAL 44 4.639 5.510 8.207 335 HG22 VAL 44 1HG2 VAL 44 6.123 6.164 7.514 336 HG23 VAL 44 2HG2 VAL 44 4.562 6.571 6.800 337 H GLY 45 H GLY 45 4.706 4.746 2.783 338 HA2 GLY 45 1HA GLY 45 4.733 1.803 2.517 339 HA3 GLY 45 2HA GLY 45 4.117 2.877 1.268 340 H GLU 46 H GLU 46 5.679 1.585 -0.035 341 HA GLU 46 HA GLU 46 8.212 3.024 -0.161 342 HB2 GLU 46 1HB GLU 46 8.359 0.782 1.188 343 HB3 GLU 46 2HB GLU 46 8.303 0.041 -0.406 344 HG2 GLU 46 1HG GLU 46 10.351 0.877 -1.019 345 HG3 GLU 46 2HG GLU 46 10.263 2.220 0.119 346 H LEU 47 H LEU 47 8.604 3.616 -2.185 347 HA LEU 47 HA LEU 47 8.018 1.878 -4.411 348 HB2 LEU 47 1HB LEU 47 5.887 3.175 -3.819 349 HB3 LEU 47 2HB LEU 47 6.737 4.590 -4.438 350 HG LEU 47 HG LEU 47 7.040 3.020 -6.554 351 HD11 LEU 47 1HD1 LEU 47 5.114 1.623 -4.905 352 HD12 LEU 47 2HD1 LEU 47 5.935 1.099 -6.377 353 HD13 LEU 47 3HD1 LEU 47 4.449 2.045 -6.483 354 HD21 LEU 47 3HD2 LEU 47 6.017 4.969 -7.078 355 HD22 LEU 47 1HD2 LEU 47 4.913 4.889 -5.705 356 HD23 LEU 47 2HD2 LEU 47 4.593 3.929 -7.150 357 H ASN 48 H ASN 48 9.105 2.461 -6.303 358 HA ASN 48 HA ASN 48 10.937 3.236 -7.420 359 HB2 ASN 48 1HB ASN 48 9.495 5.693 -6.500 360 HB3 ASN 48 2HB ASN 48 11.031 5.861 -7.345 361 HD21 ASN 48 1HD2 ASN 48 7.811 4.454 -7.590 362 HD22 ASN 48 2HD2 ASN 48 7.718 4.517 -9.314 363 H GLY 49 H GLY 49 11.436 2.409 -4.711 364 HA2 GLY 49 1HA GLY 49 13.239 2.366 -3.282 365 HA3 GLY 49 2HA GLY 49 14.059 3.451 -4.395 366 H LEU 50 H LEU 50 10.986 4.210 -2.901 367 HA LEU 50 HA LEU 50 12.342 6.115 -1.117 368 HB2 LEU 50 1HB LEU 50 9.796 6.755 -2.580 369 HB3 LEU 50 2HB LEU 50 10.828 7.849 -1.658 370 HG LEU 50 HG LEU 50 11.573 6.565 -4.285 371 HD11 LEU 50 1HD1 LEU 50 10.599 8.251 -5.350 372 HD12 LEU 50 2HD1 LEU 50 11.333 9.440 -4.275 373 HD13 LEU 50 3HD1 LEU 50 9.812 8.669 -3.829 374 HD21 LEU 50 3HD2 LEU 50 12.963 8.902 -3.059 375 HD22 LEU 50 1HD2 LEU 50 13.569 7.698 -4.195 376 HD23 LEU 50 2HD2 LEU 50 13.348 7.274 -2.499 377 H ARG 51 H ARG 51 11.671 6.031 0.929 378 HA ARG 51 HA ARG 51 9.082 4.743 1.492 379 HB2 ARG 51 1HB ARG 51 11.372 3.556 2.093 380 HB3 ARG 51 2HB ARG 51 11.300 4.630 3.485 381 HG2 ARG 51 1HG ARG 51 8.893 3.692 3.757 382 HG3 ARG 51 2HG ARG 51 9.489 2.380 2.737 383 HD2 ARG 51 1HD ARG 51 10.914 3.291 5.225 384 HD3 ARG 51 2HD ARG 51 9.673 2.037 5.240 385 HE ARG 51 HE ARG 51 11.477 1.261 3.318 386 HH11 ARG 51 1HH1 ARG 51 11.584 1.975 6.725 387 HH12 ARG 51 2HH1 ARG 51 12.885 0.877 7.046 388 HH21 ARG 51 1HH2 ARG 51 13.190 -0.187 3.730 389 HH22 ARG 51 2HH2 ARG 51 13.799 -0.351 5.343 390 H GLY 52 H GLY 52 7.745 6.344 2.068 391 HA2 GLY 52 1HA GLY 52 8.504 8.001 4.349 392 HA3 GLY 52 2HA GLY 52 8.081 8.846 2.867 393 H TRP 53 H TRP 53 6.433 9.777 4.353 394 HA TRP 53 HA TRP 53 4.181 7.998 4.905 395 HB2 TRP 53 1HB TRP 53 3.336 9.689 6.332 396 HB3 TRP 53 2HB TRP 53 5.077 9.678 6.601 397 HD1 TRP 53 HD TRP 53 6.415 11.633 4.963 398 HE1 TRP 53 1HE TRP 53 5.714 14.089 4.649 399 HE3 TRP 53 3HE TRP 53 1.510 11.261 6.355 400 HZ2 TRP 53 2HZ TRP 53 3.390 15.662 4.952 401 HZ3 TRP 53 3HZ TRP 53 0.116 13.289 6.317 402 HH2 TRP 53 HH TRP 53 1.038 15.442 5.629 403 H PHE 54 H PHE 54 1.973 8.805 4.400 404 HA PHE 54 HA PHE 54 1.540 10.764 2.406 405 HB2 PHE 54 1HB PHE 54 0.983 9.339 0.509 406 HB3 PHE 54 2HB PHE 54 2.657 9.074 0.987 407 HD1 PHE 54 1HD PHE 54 -0.763 7.695 1.491 408 HD2 PHE 54 2HD PHE 54 3.419 6.921 1.323 409 HE1 PHE 54 1HE PHE 54 -1.206 5.282 1.676 410 HE2 PHE 54 2HE PHE 54 2.983 4.507 1.506 411 HZ PHE 54 HZ PHE 54 0.669 3.684 1.683 412 HA PRO 55 HA PRO 55 -2.562 10.313 3.900 413 HB2 PRO 55 1HB PRO 55 -3.982 11.295 1.806 414 HB3 PRO 55 2HB PRO 55 -3.021 12.319 2.879 415 HG2 PRO 55 1HG PRO 55 -2.335 11.246 0.170 416 HG3 PRO 55 2HG PRO 55 -2.065 12.870 0.832 417 HD2 PRO 55 1HD PRO 55 -0.105 11.006 0.695 418 HD3 PRO 55 2HD PRO 55 -0.181 12.220 1.987 419 H ALA 56 H ALA 56 -3.301 8.280 4.131 420 HA ALA 56 HA ALA 56 -3.397 6.283 2.206 421 HB1 ALA 56 3HB ALA 56 -5.483 6.314 4.325 422 HB2 ALA 56 1HB ALA 56 -4.451 4.994 3.772 423 HB3 ALA 56 2HB ALA 56 -3.788 6.256 4.811 424 H LYS 57 H LYS 57 -5.882 8.628 3.135 425 HA LYS 57 HA LYS 57 -8.082 7.746 1.807 426 HB2 LYS 57 1HB LYS 57 -8.740 10.095 1.515 427 HB3 LYS 57 2HB LYS 57 -8.062 9.808 3.113 428 HG2 LYS 57 1HG LYS 57 -5.848 10.624 2.066 429 HG3 LYS 57 2HG LYS 57 -6.881 11.290 0.800 430 HD2 LYS 57 1HD LYS 57 -7.577 11.834 3.645 431 HD3 LYS 57 2HD LYS 57 -6.228 12.711 2.922 432 HE2 LYS 57 1HE LYS 57 -7.601 13.693 1.290 433 HE3 LYS 57 2HE LYS 57 -8.911 12.550 1.584 434 HZ1 LYS 57 3HZ LYS 57 -9.769 13.969 3.029 435 HZ2 LYS 57 1HZ LYS 57 -8.504 15.059 2.758 436 HZ3 LYS 57 2HZ LYS 57 -8.368 13.894 3.976 437 H PHE 58 H PHE 58 -5.233 9.247 0.391 438 HA PHE 58 HA PHE 58 -6.262 9.598 -2.213 439 HB2 PHE 58 1HB PHE 58 -3.529 9.492 -1.012 440 HB3 PHE 58 2HB PHE 58 -3.683 9.396 -2.763 441 HD1 PHE 58 2HD PHE 58 -4.982 11.442 0.074 442 HD2 PHE 58 1HD PHE 58 -3.582 11.355 -3.944 443 HE1 PHE 58 2HE PHE 58 -5.168 13.892 -0.040 444 HE2 PHE 58 1HE PHE 58 -3.766 13.805 -4.065 445 HZ PHE 58 HZ PHE 58 -4.561 15.078 -2.112 446 H VAL 59 H VAL 59 -4.716 6.886 -0.605 447 HA VAL 59 HA VAL 59 -5.000 5.288 -3.059 448 HB VAL 59 HB VAL 59 -3.385 3.751 -2.168 449 HG11 VAL 59 1HG1 VAL 59 -2.565 6.634 -1.895 450 HG12 VAL 59 2HG1 VAL 59 -1.419 5.293 -1.845 451 HG13 VAL 59 3HG1 VAL 59 -2.379 5.580 -3.296 452 HG21 VAL 59 3HG2 VAL 59 -2.267 4.306 0.043 453 HG22 VAL 59 1HG2 VAL 59 -3.633 5.377 0.347 454 HG23 VAL 59 2HG2 VAL 59 -3.901 3.648 0.130 455 H GLU 60 H GLU 60 -5.342 2.851 -2.466 456 HA GLU 60 HA GLU 60 -7.396 2.637 -0.371 457 HB2 GLU 60 1HB GLU 60 -8.570 2.838 -2.481 458 HB3 GLU 60 2HB GLU 60 -7.573 1.579 -3.196 459 HG2 GLU 60 1HG GLU 60 -9.862 0.853 -2.545 460 HG3 GLU 60 2HG GLU 60 -8.557 -0.094 -1.832 461 H VAL 61 H VAL 61 -7.099 0.980 0.969 462 HA VAL 61 HA VAL 61 -4.849 -0.688 0.826 463 HB VAL 61 HB VAL 61 -7.376 -1.010 2.448 464 HG11 VAL 61 1HG1 VAL 61 -6.288 -3.152 2.280 465 HG12 VAL 61 2HG1 VAL 61 -4.726 -2.432 2.676 466 HG13 VAL 61 3HG1 VAL 61 -6.004 -2.488 3.889 467 HG21 VAL 61 3HG2 VAL 61 -4.685 0.196 3.080 468 HG22 VAL 61 1HG2 VAL 61 -6.236 1.031 2.986 469 HG23 VAL 61 2HG2 VAL 61 -5.935 -0.129 4.281 470 H LEU 62 H LEU 62 -4.800 -3.038 0.700 471 HA LEU 62 HA LEU 62 -6.980 -4.273 -0.802 472 HB2 LEU 62 1HB LEU 62 -4.224 -4.802 -1.774 473 HB3 LEU 62 2HB LEU 62 -5.757 -4.859 -2.641 474 HG LEU 62 HG LEU 62 -4.646 -2.224 -1.767 475 HD11 LEU 62 1HD1 LEU 62 -3.756 -2.349 -4.293 476 HD12 LEU 62 2HD1 LEU 62 -3.519 -4.029 -3.812 477 HD13 LEU 62 3HD1 LEU 62 -2.756 -2.733 -2.892 478 HD21 LEU 62 3HD2 LEU 62 -6.785 -3.217 -3.442 479 HD22 LEU 62 1HD2 LEU 62 -5.742 -2.095 -4.316 480 HD23 LEU 62 2HD2 LEU 62 -6.508 -1.593 -2.808 481 H ASP 63 H ASP 63 -7.413 -6.243 -0.055 482 HA ASP 63 HA ASP 63 -5.354 -7.599 1.559 483 HB2 ASP 63 1HB ASP 63 -8.328 -7.387 1.855 484 HB3 ASP 63 2HB ASP 63 -7.499 -8.810 2.478 485 H GLU 64 H GLU 64 -4.454 -8.678 -0.237 486 HA GLU 64 HA GLU 64 -5.955 -10.221 -2.064 487 HB2 GLU 64 1HB GLU 64 -3.069 -10.088 -1.285 488 HB3 GLU 64 2HB GLU 64 -3.624 -11.419 -2.291 489 HG2 GLU 64 1HG GLU 64 -4.640 -9.596 -3.787 490 HG3 GLU 64 2HG GLU 64 -3.586 -8.491 -2.905 491 H ARG 65 H ARG 65 -5.396 -12.680 -2.274 492 HA ARG 65 HA ARG 65 -5.938 -14.760 -1.513 493 HB2 ARG 65 1HB ARG 65 -3.648 -14.090 -0.361 494 HB3 ARG 65 2HB ARG 65 -4.624 -14.162 1.099 495 HG2 ARG 65 1HG ARG 65 -4.992 -16.431 0.907 496 HG3 ARG 65 2HG ARG 65 -4.665 -16.441 -0.828 497 HD2 ARG 65 1HD ARG 65 -2.804 -17.474 0.201 498 HD3 ARG 65 2HD ARG 65 -2.277 -15.856 -0.257 499 HE ARG 65 HE ARG 65 -3.255 -16.018 2.436 500 HH11 ARG 65 1HH1 ARG 65 -0.484 -16.456 0.376 501 HH12 ARG 65 2HH1 ARG 65 0.665 -16.220 1.652 502 HH21 ARG 65 1HH2 ARG 65 -1.753 -15.707 4.124 503 HH22 ARG 65 2HH2 ARG 65 -0.059 -15.794 3.783 504 H SER 66 H SER 66 -7.915 -12.778 -1.057 505 HA SER 66 HA SER 66 -9.126 -13.772 1.440 506 HB2 SER 66 1HB SER 66 -9.039 -11.033 0.252 507 HB3 SER 66 2HB SER 66 -10.488 -11.511 1.139 508 HG SER 66 HG SER 66 -8.110 -12.122 2.390 509 H LYS 67 H LYS 67 -11.401 -14.101 1.436 510 HA LYS 67 HA LYS 67 -12.389 -15.342 -0.888 511 HB2 LYS 67 1HB LYS 67 -13.196 -16.054 1.250 512 HB3 LYS 67 2HB LYS 67 -13.762 -14.436 1.642 513 HG2 LYS 67 1HG LYS 67 -15.737 -15.388 1.064 514 HG3 LYS 67 2HG LYS 67 -15.227 -14.815 -0.525 515 HD2 LYS 67 1HD LYS 67 -14.363 -17.529 0.329 516 HD3 LYS 67 2HD LYS 67 -16.051 -17.302 -0.134 517 HE2 LYS 67 1HE LYS 67 -15.345 -16.392 -2.285 518 HE3 LYS 67 2HE LYS 67 -13.656 -16.578 -1.821 519 HZ1 LYS 67 3HZ LYS 67 -15.291 -18.972 -1.646 520 HZ2 LYS 67 1HZ LYS 67 -13.703 -18.780 -2.200 521 HZ3 LYS 67 2HZ LYS 67 -15.004 -18.396 -3.210 522 H GLU 68 H GLU 68 -13.623 -14.642 -2.540 523 HA GLU 68 HA GLU 68 -15.096 -12.167 -2.391 524 HB2 GLU 68 1HB GLU 68 -12.591 -11.694 -3.011 525 HB3 GLU 68 2HB GLU 68 -13.073 -12.290 -4.594 526 HG2 GLU 68 1HG GLU 68 -13.175 -9.836 -4.396 527 HG3 GLU 68 2HG GLU 68 -14.725 -10.569 -4.807 528 H TYR 69 H TYR 69 -16.380 -11.773 -4.337 529 HA TYR 69 HA TYR 69 -16.835 -14.247 -5.874 530 HB2 TYR 69 1HB TYR 69 -19.006 -12.253 -5.285 531 HB3 TYR 69 2HB TYR 69 -19.160 -13.937 -5.772 532 HD1 TYR 69 1HD TYR 69 -17.558 -15.417 -3.923 533 HD2 TYR 69 2HD TYR 69 -19.941 -11.967 -3.196 534 HE1 TYR 69 1HE TYR 69 -17.788 -16.079 -1.564 535 HE2 TYR 69 2HE TYR 69 -20.177 -12.620 -0.835 536 HH TYR 69 HH TYR 69 -18.602 -15.545 0.428 537 H SER 70 H SER 70 -15.515 -13.551 -7.581 538 HA SER 70 HA SER 70 -16.727 -11.443 -9.234 539 HB2 SER 70 1HB SER 70 -14.472 -10.880 -7.996 540 HB3 SER 70 2HB SER 70 -13.758 -11.848 -9.284 541 HG SER 70 HG SER 70 -13.878 -10.070 -10.394 542 H ILE 71 H ILE 71 -15.659 -11.575 -11.539 543 HA ILE 71 HA ILE 71 -16.468 -13.988 -12.692 544 HB ILE 71 HB ILE 71 -14.570 -11.950 -13.862 545 HG12 ILE 71 1HG1 ILE 71 -17.482 -12.087 -14.521 546 HG13 ILE 71 2HG1 ILE 71 -16.997 -11.319 -13.014 547 HG21 ILE 71 1HG2 ILE 71 -14.580 -13.108 -15.765 548 HG22 ILE 71 2HG2 ILE 71 -15.239 -14.448 -14.831 549 HG23 ILE 71 3HG2 ILE 71 -16.323 -13.359 -15.695 550 HD11 ILE 71 3HD1 ILE 71 -17.253 -9.677 -14.764 551 HD12 ILE 71 1HD1 ILE 71 -15.564 -9.787 -14.276 552 HD13 ILE 71 2HD1 ILE 71 -16.097 -10.543 -15.777 553 H ALA 72 H ALA 72 -15.460 -15.852 -13.192 554 HA ALA 72 HA ALA 72 -13.097 -16.598 -11.879 555 HB1 ALA 72 3HB ALA 72 -13.192 -18.610 -13.392 556 HB2 ALA 72 1HB ALA 72 -14.647 -18.295 -12.446 557 HB3 ALA 72 2HB ALA 72 -14.597 -17.867 -14.158 558 H SER 73 H SER 73 -11.093 -17.382 -12.890 559 HA SER 73 HA SER 73 -10.302 -15.653 -15.142 560 HB2 SER 73 1HB SER 73 -8.142 -15.439 -14.212 561 HB3 SER 73 2HB SER 73 -9.233 -15.277 -12.835 562 HG SER 73 HG SER 73 -8.626 -17.203 -12.100 563 H GLY 74 H GLY 74 -9.541 -16.584 -16.941 564 HA2 GLY 74 1HA GLY 74 -9.799 -19.306 -17.446 565 HA3 GLY 74 2HA GLY 74 -8.838 -18.198 -18.414 566 HA PRO 75 HA PRO 75 -6.111 -21.397 -16.311 567 HB2 PRO 75 1HB PRO 75 -5.109 -22.478 -18.591 568 HB3 PRO 75 2HB PRO 75 -6.584 -23.067 -17.817 569 HG2 PRO 75 1HG PRO 75 -6.278 -21.225 -20.157 570 HG3 PRO 75 2HG PRO 75 -7.406 -22.575 -19.936 571 HD2 PRO 75 1HD PRO 75 -8.139 -19.991 -19.585 572 HD3 PRO 75 2HD PRO 75 -8.851 -21.322 -18.648 573 H SER 76 H SER 76 -5.886 -18.664 -18.198 574 HA SER 76 HA SER 76 -3.452 -18.329 -19.234 575 HB2 SER 76 1HB SER 76 -4.831 -16.446 -17.311 576 HB3 SER 76 2HB SER 76 -3.429 -15.996 -18.283 577 HG SER 76 HG SER 76 -4.865 -16.850 -20.092 578 H SER 77 H SER 77 -4.096 -18.292 -15.743 579 HA SER 77 HA SER 77 -1.247 -18.168 -15.165 580 HB2 SER 77 1HB SER 77 -3.728 -18.091 -13.454 581 HB3 SER 77 2HB SER 77 -2.121 -18.259 -12.747 582 HG SER 77 HG SER 77 -3.164 -16.039 -13.171 583 H GLY 78 H GLY 78 -0.160 -19.738 -13.869 584 HA2 GLY 78 1HA GLY 78 0.475 -21.889 -13.380 585 HA3 GLY 78 2HA GLY 78 -1.216 -22.160 -12.990 Start of MODEL 18 1 H1 GLY 1 H GLY 1 6.729 -18.053 10.465 2 HA2 GLY 1 1HA GLY 1 8.985 -17.246 9.312 3 HA3 GLY 1 2HA GLY 1 7.856 -16.084 8.633 4 H SER 2 H SER 2 10.142 -15.633 10.397 5 HA SER 2 HA SER 2 9.638 -15.220 13.037 6 HB2 SER 2 1HB SER 2 11.268 -13.434 12.995 7 HB3 SER 2 2HB SER 2 11.775 -14.678 11.853 8 HG SER 2 HG SER 2 10.324 -12.348 11.134 9 H SER 3 H SER 3 9.054 -13.271 14.250 10 HA SER 3 HA SER 3 6.517 -12.280 13.431 11 HB2 SER 3 1HB SER 3 8.327 -11.770 15.770 12 HB3 SER 3 2HB SER 3 6.922 -10.738 15.504 13 HG SER 3 HG SER 3 6.745 -13.561 15.575 14 H GLY 4 H GLY 4 6.007 -9.891 13.481 15 HA2 GLY 4 1HA GLY 4 7.644 -7.779 13.137 16 HA3 GLY 4 2HA GLY 4 7.737 -8.571 11.571 17 H SER 5 H SER 5 6.294 -7.988 10.091 18 HA SER 5 HA SER 5 3.666 -7.021 10.939 19 HB2 SER 5 1HB SER 5 5.143 -5.028 10.701 20 HB3 SER 5 2HB SER 5 5.432 -5.479 9.020 21 HG SER 5 HG SER 5 3.435 -4.054 9.991 22 H SER 6 H SER 6 2.049 -7.170 9.345 23 HA SER 6 HA SER 6 2.553 -9.239 7.387 24 HB2 SER 6 1HB SER 6 0.017 -7.763 8.134 25 HB3 SER 6 2HB SER 6 0.095 -9.102 6.989 26 HG SER 6 HG SER 6 0.715 -10.458 8.639 27 H GLY 7 H GLY 7 3.628 -8.524 5.630 28 HA2 GLY 7 1HA GLY 7 3.649 -6.035 4.481 29 HA3 GLY 7 2HA GLY 7 3.881 -7.522 3.573 30 H ARG 8 H ARG 8 2.244 -4.784 3.452 31 HA ARG 8 HA ARG 8 -0.074 -6.045 2.153 32 HB2 ARG 8 1HB ARG 8 -0.016 -3.843 4.168 33 HB3 ARG 8 2HB ARG 8 -1.232 -3.787 2.899 34 HG2 ARG 8 1HG ARG 8 -1.984 -6.042 3.574 35 HG3 ARG 8 2HG ARG 8 -0.824 -5.996 4.904 36 HD2 ARG 8 1HD ARG 8 -1.939 -4.011 5.802 37 HD3 ARG 8 2HD ARG 8 -3.095 -4.059 4.473 38 HE ARG 8 HE ARG 8 -3.423 -6.481 5.542 39 HH11 ARG 8 1HH1 ARG 8 -3.235 -3.334 7.017 40 HH12 ARG 8 2HH1 ARG 8 -4.265 -3.751 8.346 41 HH21 ARG 8 1HH2 ARG 8 -4.781 -7.043 7.285 42 HH22 ARG 8 2HH2 ARG 8 -5.145 -5.862 8.498 43 H ARG 9 H ARG 9 -1.218 -4.396 0.689 44 HA ARG 9 HA ARG 9 0.624 -2.468 -0.500 45 HB2 ARG 9 1HB ARG 9 -0.698 -4.691 -2.069 46 HB3 ARG 9 2HB ARG 9 0.192 -3.346 -2.771 47 HG2 ARG 9 1HG ARG 9 2.143 -4.182 -1.288 48 HG3 ARG 9 2HG ARG 9 1.215 -5.681 -1.216 49 HD2 ARG 9 1HD ARG 9 1.680 -4.415 -3.870 50 HD3 ARG 9 2HD ARG 9 3.019 -5.262 -3.096 51 HE ARG 9 HE ARG 9 0.613 -6.810 -3.144 52 HH11 ARG 9 1HH1 ARG 9 3.389 -5.842 -5.007 53 HH12 ARG 9 2HH1 ARG 9 3.354 -7.239 -6.030 54 HH21 ARG 9 1HH2 ARG 9 0.555 -8.656 -4.483 55 HH22 ARG 9 2HH2 ARG 9 1.741 -8.838 -5.733 56 H ALA 10 H ALA 10 -0.373 -0.687 -1.272 57 HA ALA 10 HA ALA 10 -3.321 -0.716 -1.327 58 HB1 ALA 10 3HB ALA 10 -1.844 0.722 0.392 59 HB2 ALA 10 1HB ALA 10 -1.943 1.866 -0.946 60 HB3 ALA 10 2HB ALA 10 -3.418 1.243 -0.206 61 H LYS 11 H LYS 11 -4.375 0.275 -3.015 62 HA LYS 11 HA LYS 11 -2.739 0.792 -5.378 63 HB2 LYS 11 1HB LYS 11 -4.768 -0.763 -5.366 64 HB3 LYS 11 2HB LYS 11 -5.750 0.692 -5.259 65 HG2 LYS 11 1HG LYS 11 -4.532 1.470 -7.357 66 HG3 LYS 11 2HG LYS 11 -3.966 -0.197 -7.501 67 HD2 LYS 11 1HD LYS 11 -5.894 -0.155 -8.811 68 HD3 LYS 11 2HD LYS 11 -6.449 -0.838 -7.281 69 HE2 LYS 11 1HE LYS 11 -8.050 0.788 -7.990 70 HE3 LYS 11 2HE LYS 11 -7.178 1.450 -6.607 71 HZ1 LYS 11 3HZ LYS 11 -7.266 2.370 -9.340 72 HZ2 LYS 11 1HZ LYS 11 -5.709 2.329 -8.678 73 HZ3 LYS 11 2HZ LYS 11 -6.927 3.224 -7.920 74 H ALA 12 H ALA 12 -2.464 2.754 -6.253 75 HA ALA 12 HA ALA 12 -3.406 5.065 -4.829 76 HB1 ALA 12 3HB ALA 12 -1.532 4.559 -7.073 77 HB2 ALA 12 1HB ALA 12 -2.230 6.173 -6.931 78 HB3 ALA 12 2HB ALA 12 -1.304 5.491 -5.593 79 H LEU 13 H LEU 13 -5.518 5.532 -5.057 80 HA LEU 13 HA LEU 13 -7.080 5.027 -7.333 81 HB2 LEU 13 1HB LEU 13 -7.583 7.170 -5.281 82 HB3 LEU 13 2HB LEU 13 -8.774 6.357 -6.297 83 HG LEU 13 HG LEU 13 -7.169 4.782 -4.324 84 HD11 LEU 13 1HD1 LEU 13 -8.886 5.175 -2.635 85 HD12 LEU 13 2HD1 LEU 13 -9.667 6.349 -3.694 86 HD13 LEU 13 3HD1 LEU 13 -8.054 6.670 -3.058 87 HD21 LEU 13 3HD2 LEU 13 -9.904 4.521 -5.563 88 HD22 LEU 13 1HD2 LEU 13 -9.285 3.463 -4.294 89 HD23 LEU 13 2HD2 LEU 13 -8.486 3.515 -5.865 90 H LEU 14 H LEU 14 -5.135 7.785 -6.395 91 HA LEU 14 HA LEU 14 -5.415 8.860 -9.091 92 HB2 LEU 14 1HB LEU 14 -5.910 11.087 -8.358 93 HB3 LEU 14 2HB LEU 14 -7.128 9.984 -7.717 94 HG LEU 14 HG LEU 14 -4.813 10.737 -5.993 95 HD11 LEU 14 1HD1 LEU 14 -7.260 12.452 -6.051 96 HD12 LEU 14 2HD1 LEU 14 -5.905 12.798 -7.126 97 HD13 LEU 14 3HD1 LEU 14 -5.664 12.794 -5.379 98 HD21 LEU 14 3HD2 LEU 14 -6.599 9.018 -5.421 99 HD22 LEU 14 1HD2 LEU 14 -7.712 10.381 -5.287 100 HD23 LEU 14 2HD2 LEU 14 -6.302 10.286 -4.231 101 H ASP 15 H ASP 15 -3.886 10.824 -9.330 102 HA ASP 15 HA ASP 15 -1.272 9.944 -8.564 103 HB2 ASP 15 1HB ASP 15 -1.348 10.910 -10.697 104 HB3 ASP 15 2HB ASP 15 -2.334 12.264 -10.150 105 H PHE 16 H PHE 16 0.104 10.762 -7.063 106 HA PHE 16 HA PHE 16 -0.867 13.006 -5.421 107 HB2 PHE 16 1HB PHE 16 -1.224 10.972 -4.157 108 HB3 PHE 16 2HB PHE 16 0.427 10.444 -4.468 109 HD1 PHE 16 1HD PHE 16 -1.283 13.469 -3.097 110 HD2 PHE 16 2HD PHE 16 1.874 10.639 -2.709 111 HE1 PHE 16 1HE PHE 16 -0.545 14.580 -1.029 112 HE2 PHE 16 2HE PHE 16 2.616 11.745 -0.641 113 HZ PHE 16 HZ PHE 16 1.406 13.718 0.202 114 H GLU 17 H GLU 17 0.463 14.648 -5.829 115 HA GLU 17 HA GLU 17 3.269 14.163 -6.423 116 HB2 GLU 17 1HB GLU 17 2.220 15.750 -7.858 117 HB3 GLU 17 2HB GLU 17 1.541 16.632 -6.499 118 HG2 GLU 17 1HG GLU 17 3.277 17.996 -7.078 119 HG3 GLU 17 2HG GLU 17 4.043 16.988 -5.851 120 H ARG 18 H ARG 18 4.434 13.746 -4.636 121 HA ARG 18 HA ARG 18 3.930 14.814 -2.077 122 HB2 ARG 18 1HB ARG 18 5.908 13.741 -1.385 123 HB3 ARG 18 2HB ARG 18 5.281 12.734 -2.682 124 HG2 ARG 18 1HG ARG 18 6.858 14.127 -4.193 125 HG3 ARG 18 2HG ARG 18 7.658 14.536 -2.674 126 HD2 ARG 18 1HD ARG 18 7.509 11.912 -2.327 127 HD3 ARG 18 2HD ARG 18 7.472 11.932 -4.090 128 HE ARG 18 HE ARG 18 9.575 13.496 -3.589 129 HH11 ARG 18 1HH1 ARG 18 8.661 10.401 -2.282 130 HH12 ARG 18 2HH1 ARG 18 10.294 9.889 -2.005 131 HH21 ARG 18 1HH2 ARG 18 11.729 12.834 -3.231 132 HH22 ARG 18 2HH2 ARG 18 12.037 11.274 -2.546 133 H HIS 19 H HIS 19 4.378 16.736 -1.230 134 HA HIS 19 HA HIS 19 5.719 18.737 -2.787 135 HB2 HIS 19 1HB HIS 19 3.794 19.322 -1.394 136 HB3 HIS 19 2HB HIS 19 4.670 18.825 0.050 137 HD1 HIS 19 1HD HIS 19 4.405 21.596 -2.433 138 HD2 HIS 19 2HD HIS 19 6.611 20.643 0.957 139 HE1 HIS 19 1HE HIS 19 5.568 23.725 -1.766 140 HE2 HIS 19 2HE HIS 19 6.961 23.102 0.237 141 H ASP 20 H ASP 20 6.404 17.060 0.268 142 HA ASP 20 HA ASP 20 9.160 18.082 0.138 143 HB2 ASP 20 1HB ASP 20 7.375 17.291 2.403 144 HB3 ASP 20 2HB ASP 20 9.118 17.125 2.597 145 H ASP 21 H ASP 21 10.896 16.692 0.237 146 HA ASP 21 HA ASP 21 10.866 14.309 -1.041 147 HB2 ASP 21 1HB ASP 21 12.930 13.734 0.424 148 HB3 ASP 21 2HB ASP 21 12.993 15.162 -0.606 149 H ASP 22 H ASP 22 10.791 14.619 2.512 150 HA ASP 22 HA ASP 22 10.628 12.082 3.356 151 HB2 ASP 22 1HB ASP 22 8.753 14.273 4.274 152 HB3 ASP 22 2HB ASP 22 9.160 12.816 5.178 153 H GLU 23 H GLU 23 7.790 13.897 2.190 154 HA GLU 23 HA GLU 23 5.919 11.855 2.377 155 HB2 GLU 23 1HB GLU 23 6.159 14.303 0.682 156 HB3 GLU 23 2HB GLU 23 4.898 13.138 0.306 157 HG2 GLU 23 1HG GLU 23 5.174 14.063 3.114 158 HG3 GLU 23 2HG GLU 23 4.469 15.159 1.928 159 H LEU 24 H LEU 24 4.965 10.515 0.723 160 HA LEU 24 HA LEU 24 6.950 9.617 -1.259 161 HB2 LEU 24 1HB LEU 24 6.407 7.996 0.524 162 HB3 LEU 24 2HB LEU 24 4.720 8.037 0.014 163 HG LEU 24 HG LEU 24 5.489 7.162 -2.220 164 HD11 LEU 24 1HD1 LEU 24 8.068 7.179 -0.743 165 HD12 LEU 24 2HD1 LEU 24 7.733 7.516 -2.441 166 HD13 LEU 24 3HD1 LEU 24 7.746 5.852 -1.860 167 HD21 LEU 24 3HD2 LEU 24 5.648 4.867 -1.448 168 HD22 LEU 24 1HD2 LEU 24 4.445 5.747 -0.505 169 HD23 LEU 24 2HD2 LEU 24 6.036 5.422 0.182 170 H GLY 25 H GLY 25 6.439 10.418 -3.197 171 HA2 GLY 25 1HA GLY 25 3.674 10.909 -3.927 172 HA3 GLY 25 2HA GLY 25 5.095 11.298 -4.887 173 H PHE 26 H PHE 26 2.619 10.033 -5.740 174 HA PHE 26 HA PHE 26 3.802 7.783 -7.120 175 HB2 PHE 26 1HB PHE 26 1.650 6.418 -6.497 176 HB3 PHE 26 2HB PHE 26 3.029 6.436 -5.403 177 HD1 PHE 26 2HD PHE 26 2.950 7.703 -3.322 178 HD2 PHE 26 1HD PHE 26 -0.414 7.489 -5.922 179 HE1 PHE 26 2HE PHE 26 1.503 8.528 -1.511 180 HE2 PHE 26 1HE PHE 26 -1.866 8.314 -4.115 181 HZ PHE 26 HZ PHE 26 -0.908 8.834 -1.906 182 H ARG 27 H ARG 27 2.034 6.774 -8.617 183 HA ARG 27 HA ARG 27 0.511 9.010 -9.781 184 HB2 ARG 27 1HB ARG 27 1.822 6.629 -11.096 185 HB3 ARG 27 2HB ARG 27 0.702 7.699 -11.931 186 HG2 ARG 27 1HG ARG 27 3.222 8.667 -10.611 187 HG3 ARG 27 2HG ARG 27 3.141 8.163 -12.300 188 HD2 ARG 27 1HD ARG 27 1.714 9.922 -12.878 189 HD3 ARG 27 2HD ARG 27 1.264 10.225 -11.201 190 HE ARG 27 HE ARG 27 3.150 11.519 -10.953 191 HH11 ARG 27 1HH1 ARG 27 3.325 9.744 -13.943 192 HH12 ARG 27 2HH1 ARG 27 4.704 10.615 -14.529 193 HH21 ARG 27 1HH2 ARG 27 4.964 12.672 -11.714 194 HH22 ARG 27 2HH2 ARG 27 5.635 12.279 -13.260 195 H LYS 28 H LYS 28 -1.326 8.129 -11.254 196 HA LYS 28 HA LYS 28 -3.161 6.770 -9.559 197 HB2 LYS 28 1HB LYS 28 -3.792 8.512 -11.232 198 HB3 LYS 28 2HB LYS 28 -3.431 7.360 -12.512 199 HG2 LYS 28 1HG LYS 28 -5.161 5.851 -11.555 200 HG3 LYS 28 2HG LYS 28 -5.583 7.135 -10.419 201 HD2 LYS 28 1HD LYS 28 -5.906 8.609 -12.481 202 HD3 LYS 28 2HD LYS 28 -5.868 7.108 -13.412 203 HE2 LYS 28 1HE LYS 28 -8.121 7.307 -13.049 204 HE3 LYS 28 2HE LYS 28 -7.659 6.354 -11.638 205 HZ1 LYS 28 3HZ LYS 28 -7.660 8.313 -10.295 206 HZ2 LYS 28 1HZ LYS 28 -9.134 8.250 -11.124 207 HZ3 LYS 28 2HZ LYS 28 -7.920 9.311 -11.636 208 H ASN 29 H ASN 29 -4.012 4.715 -9.695 209 HA ASN 29 HA ASN 29 -4.028 2.472 -10.067 210 HB2 ASN 29 1HB ASN 29 -3.145 3.394 -12.809 211 HB3 ASN 29 2HB ASN 29 -3.572 1.728 -12.428 212 HD21 ASN 29 1HD2 ASN 29 -5.075 2.373 -14.268 213 HD22 ASN 29 2HD2 ASN 29 -6.625 2.977 -13.802 214 H ASP 30 H ASP 30 -1.790 3.445 -8.758 215 HA ASP 30 HA ASP 30 0.345 1.696 -9.794 216 HB2 ASP 30 1HB ASP 30 0.549 4.317 -8.307 217 HB3 ASP 30 2HB ASP 30 1.912 3.220 -8.508 218 H ILE 31 H ILE 31 1.369 0.326 -8.375 219 HA ILE 31 HA ILE 31 -0.033 -0.131 -5.856 220 HB ILE 31 HB ILE 31 2.079 -1.848 -7.161 221 HG12 ILE 31 1HG1 ILE 31 -0.061 -1.479 -8.497 222 HG13 ILE 31 2HG1 ILE 31 0.354 -3.150 -8.134 223 HG21 ILE 31 1HG2 ILE 31 0.670 -1.958 -4.634 224 HG22 ILE 31 2HG2 ILE 31 0.416 -3.416 -5.594 225 HG23 ILE 31 3HG2 ILE 31 2.054 -2.897 -5.196 226 HD11 ILE 31 3HD1 ILE 31 -1.505 -1.628 -6.360 227 HD12 ILE 31 1HD1 ILE 31 -2.081 -2.368 -7.853 228 HD13 ILE 31 2HD1 ILE 31 -1.356 -3.370 -6.594 229 H ILE 32 H ILE 32 0.791 0.400 -3.943 230 HA ILE 32 HA ILE 32 3.684 0.932 -3.761 231 HB ILE 32 HB ILE 32 1.478 2.456 -2.367 232 HG12 ILE 32 1HG1 ILE 32 3.462 3.693 -4.229 233 HG13 ILE 32 2HG1 ILE 32 2.102 2.810 -4.914 234 HG21 ILE 32 1HG2 ILE 32 3.222 3.838 -1.434 235 HG22 ILE 32 2HG2 ILE 32 3.513 2.155 -1.000 236 HG23 ILE 32 3HG2 ILE 32 4.457 2.909 -2.285 237 HD11 ILE 32 3HD1 ILE 32 0.874 4.630 -4.695 238 HD12 ILE 32 1HD1 ILE 32 1.034 4.497 -2.944 239 HD13 ILE 32 2HD1 ILE 32 2.191 5.460 -3.864 240 H THR 33 H THR 33 4.712 -0.225 -2.275 241 HA THR 33 HA THR 33 3.327 -2.065 -0.603 242 HB THR 33 HB THR 33 6.244 -1.268 -0.610 243 HG1 THR 33 1HG THR 33 4.697 -3.063 -2.075 244 HG21 THR 33 3HG2 THR 33 6.514 -2.529 1.205 245 HG22 THR 33 1HG2 THR 33 5.803 -3.905 0.364 246 HG23 THR 33 2HG2 THR 33 4.774 -2.804 1.278 247 H ILE 34 H ILE 34 2.903 -2.013 1.554 248 HA ILE 34 HA ILE 34 3.256 0.577 2.880 249 HB ILE 34 HB ILE 34 1.478 -1.745 3.640 250 HG12 ILE 34 1HG1 ILE 34 0.768 0.938 2.434 251 HG13 ILE 34 2HG1 ILE 34 0.818 -0.582 1.547 252 HG21 ILE 34 1HG2 ILE 34 2.328 -0.236 5.495 253 HG22 ILE 34 2HG2 ILE 34 1.384 1.047 4.743 254 HG23 ILE 34 3HG2 ILE 34 0.579 -0.398 5.349 255 HD11 ILE 34 3HD1 ILE 34 -0.834 -1.060 3.742 256 HD12 ILE 34 1HD1 ILE 34 -1.286 0.535 3.142 257 HD13 ILE 34 2HD1 ILE 34 -1.314 -0.855 2.057 258 H ILE 35 H ILE 35 4.954 0.763 4.170 259 HA ILE 35 HA ILE 35 6.161 -1.599 5.367 260 HB ILE 35 HB ILE 35 7.060 1.282 5.489 261 HG12 ILE 35 1HG1 ILE 35 7.021 0.247 3.195 262 HG13 ILE 35 2HG1 ILE 35 8.616 0.749 3.741 263 HG21 ILE 35 1HG2 ILE 35 9.270 0.142 6.063 264 HG22 ILE 35 2HG2 ILE 35 8.034 0.193 7.318 265 HG23 ILE 35 3HG2 ILE 35 8.302 -1.292 6.404 266 HD11 ILE 35 3HD1 ILE 35 8.159 -1.966 4.501 267 HD12 ILE 35 1HD1 ILE 35 7.829 -1.761 2.781 268 HD13 ILE 35 2HD1 ILE 35 9.397 -1.294 3.439 269 H SER 36 H SER 36 5.334 1.648 6.600 270 HA SER 36 HA SER 36 4.467 0.365 9.107 271 HB2 SER 36 1HB SER 36 6.706 1.781 9.032 272 HB3 SER 36 2HB SER 36 5.584 3.136 9.155 273 HG SER 36 HG SER 36 4.840 2.334 11.083 274 H GLN 37 H GLN 37 2.907 1.634 10.361 275 HA GLN 37 HA GLN 37 1.350 3.533 8.755 276 HB2 GLN 37 1HB GLN 37 0.314 1.066 10.143 277 HB3 GLN 37 2HB GLN 37 -0.733 2.408 9.704 278 HG2 GLN 37 1HG GLN 37 -0.194 2.113 7.368 279 HG3 GLN 37 2HG GLN 37 0.953 0.836 7.770 280 HE21 GLN 37 1HE2 GLN 37 -2.077 1.431 6.677 281 HE22 GLN 37 2HE2 GLN 37 -2.836 -0.067 7.084 282 H LYS 38 H LYS 38 1.407 5.366 9.870 283 HA LYS 38 HA LYS 38 1.728 5.411 12.727 284 HB2 LYS 38 1HB LYS 38 1.464 7.510 10.595 285 HB3 LYS 38 2HB LYS 38 1.362 7.950 12.295 286 HG2 LYS 38 1HG LYS 38 3.585 8.265 11.969 287 HG3 LYS 38 2HG LYS 38 3.609 6.557 12.413 288 HD2 LYS 38 1HD LYS 38 4.931 6.610 10.505 289 HD3 LYS 38 2HD LYS 38 3.352 6.142 9.869 290 HE2 LYS 38 1HE LYS 38 4.079 7.799 8.397 291 HE3 LYS 38 2HE LYS 38 2.985 8.652 9.484 292 HZ1 LYS 38 3HZ LYS 38 4.826 10.030 9.354 293 HZ2 LYS 38 1HZ LYS 38 5.932 8.751 9.387 294 HZ3 LYS 38 2HZ LYS 38 5.101 9.185 10.794 295 H ASP 39 H ASP 39 -0.844 6.325 10.453 296 HA ASP 39 HA ASP 39 -2.896 5.587 12.277 297 HB2 ASP 39 1HB ASP 39 -3.901 7.875 12.497 298 HB3 ASP 39 2HB ASP 39 -2.396 7.657 13.384 299 H GLU 40 H GLU 40 -4.933 5.522 11.310 300 HA GLU 40 HA GLU 40 -5.180 4.920 8.698 301 HB2 GLU 40 1HB GLU 40 -7.244 6.417 10.324 302 HB3 GLU 40 2HB GLU 40 -7.568 5.521 8.846 303 HG2 GLU 40 1HG GLU 40 -6.920 3.451 9.923 304 HG3 GLU 40 2HG GLU 40 -6.505 4.326 11.396 305 H HIS 41 H HIS 41 -4.816 8.101 10.013 306 HA HIS 41 HA HIS 41 -5.749 9.561 7.758 307 HB2 HIS 41 1HB HIS 41 -3.867 10.350 9.991 308 HB3 HIS 41 2HB HIS 41 -4.519 11.469 8.799 309 HD1 HIS 41 1HD HIS 41 -5.079 11.847 11.804 310 HD2 HIS 41 2HD HIS 41 -7.598 9.824 9.190 311 HE1 HIS 41 1HE HIS 41 -7.358 11.932 12.864 312 HE2 HIS 41 2HE HIS 41 -8.847 10.628 11.308 313 H CYS 42 H CYS 42 -2.463 8.789 8.903 314 HA CYS 42 HA CYS 42 -1.544 9.006 6.119 315 HB2 CYS 42 1HB CYS 42 -0.378 10.269 8.578 316 HB3 CYS 42 2HB CYS 42 0.667 9.843 7.228 317 HG CYS 42 HG CYS 42 -0.698 11.463 5.387 318 H TRP 43 H TRP 43 -0.221 7.413 5.430 319 HA TRP 43 HA TRP 43 0.710 5.468 7.438 320 HB2 TRP 43 1HB TRP 43 -0.448 4.966 4.694 321 HB3 TRP 43 2HB TRP 43 0.425 3.739 5.609 322 HD1 TRP 43 HD TRP 43 -1.126 5.072 8.381 323 HE1 TRP 43 1HE TRP 43 -3.466 4.113 8.862 324 HE3 TRP 43 3HE TRP 43 -2.139 3.065 3.790 325 HZ2 TRP 43 2HZ TRP 43 -5.475 2.693 7.478 326 HZ3 TRP 43 3HZ TRP 43 -4.292 1.923 3.451 327 HH2 TRP 43 HH TRP 43 -5.923 1.740 5.258 328 H VAL 44 H VAL 44 2.418 3.946 6.317 329 HA VAL 44 HA VAL 44 4.289 5.639 4.795 330 HB VAL 44 HB VAL 44 4.983 3.709 7.012 331 HG11 VAL 44 1HG1 VAL 44 7.121 3.717 6.359 332 HG12 VAL 44 2HG1 VAL 44 6.504 4.275 4.802 333 HG13 VAL 44 3HG1 VAL 44 7.092 5.441 5.986 334 HG21 VAL 44 3HG2 VAL 44 4.629 6.631 6.870 335 HG22 VAL 44 1HG2 VAL 44 4.467 5.531 8.239 336 HG23 VAL 44 2HG2 VAL 44 6.065 6.073 7.729 337 H GLY 45 H GLY 45 4.923 4.793 2.923 338 HA2 GLY 45 1HA GLY 45 4.841 1.856 2.620 339 HA3 GLY 45 2HA GLY 45 4.187 2.920 1.383 340 H GLU 46 H GLU 46 5.765 1.586 0.098 341 HA GLU 46 HA GLU 46 8.281 3.068 -0.071 342 HB2 GLU 46 1HB GLU 46 8.612 0.930 1.250 343 HB3 GLU 46 2HB GLU 46 8.220 0.055 -0.224 344 HG2 GLU 46 1HG GLU 46 10.122 1.591 -1.219 345 HG3 GLU 46 2HG GLU 46 10.638 1.628 0.466 346 H LEU 47 H LEU 47 8.682 3.676 -2.092 347 HA LEU 47 HA LEU 47 8.004 2.002 -4.342 348 HB2 LEU 47 1HB LEU 47 5.922 3.331 -3.720 349 HB3 LEU 47 2HB LEU 47 6.810 4.759 -4.250 350 HG LEU 47 HG LEU 47 7.084 3.311 -6.456 351 HD11 LEU 47 1HD1 LEU 47 4.551 2.354 -6.581 352 HD12 LEU 47 2HD1 LEU 47 4.982 1.959 -4.918 353 HD13 LEU 47 3HD1 LEU 47 5.977 1.370 -6.250 354 HD21 LEU 47 3HD2 LEU 47 4.679 4.921 -5.625 355 HD22 LEU 47 1HD2 LEU 47 4.987 4.407 -7.284 356 HD23 LEU 47 2HD2 LEU 47 6.120 5.488 -6.470 357 H ASN 48 H ASN 48 9.084 2.579 -6.239 358 HA ASN 48 HA ASN 48 10.842 3.378 -7.442 359 HB2 ASN 48 1HB ASN 48 9.705 5.827 -6.154 360 HB3 ASN 48 2HB ASN 48 11.212 5.962 -7.054 361 HD21 ASN 48 1HD2 ASN 48 7.829 5.088 -7.262 362 HD22 ASN 48 2HD2 ASN 48 7.684 5.297 -8.970 363 H GLY 49 H GLY 49 11.408 2.208 -4.861 364 HA2 GLY 49 1HA GLY 49 13.272 1.829 -3.569 365 HA3 GLY 49 2HA GLY 49 14.149 2.903 -4.647 366 H LEU 50 H LEU 50 11.299 3.883 -2.864 367 HA LEU 50 HA LEU 50 13.000 5.453 -1.050 368 HB2 LEU 50 1HB LEU 50 10.438 6.507 -2.209 369 HB3 LEU 50 2HB LEU 50 11.686 7.391 -1.333 370 HG LEU 50 HG LEU 50 12.130 6.188 -4.058 371 HD11 LEU 50 1HD1 LEU 50 10.571 8.494 -3.327 372 HD12 LEU 50 2HD1 LEU 50 10.840 7.776 -4.915 373 HD13 LEU 50 3HD1 LEU 50 11.977 8.966 -4.281 374 HD21 LEU 50 3HD2 LEU 50 14.085 6.740 -2.563 375 HD22 LEU 50 1HD2 LEU 50 13.590 8.428 -2.675 376 HD23 LEU 50 2HD2 LEU 50 14.067 7.552 -4.128 377 H ARG 51 H ARG 51 11.831 6.227 0.890 378 HA ARG 51 HA ARG 51 9.489 4.621 1.599 379 HB2 ARG 51 1HB ARG 51 11.840 3.671 2.364 380 HB3 ARG 51 2HB ARG 51 11.658 4.875 3.632 381 HG2 ARG 51 1HG ARG 51 9.272 3.758 3.854 382 HG3 ARG 51 2HG ARG 51 10.127 2.386 3.145 383 HD2 ARG 51 1HD ARG 51 10.282 2.153 5.502 384 HD3 ARG 51 2HD ARG 51 11.867 2.676 4.933 385 HE ARG 51 HE ARG 51 10.662 5.002 5.585 386 HH11 ARG 51 1HH1 ARG 51 11.115 1.999 7.287 387 HH12 ARG 51 2HH1 ARG 51 11.161 2.742 8.852 388 HH21 ARG 51 1HH2 ARG 51 10.719 5.991 7.638 389 HH22 ARG 51 2HH2 ARG 51 10.932 5.013 9.051 390 H GLY 52 H GLY 52 8.030 6.171 1.983 391 HA2 GLY 52 1HA GLY 52 8.672 8.165 4.036 392 HA3 GLY 52 2HA GLY 52 8.085 8.740 2.482 393 H TRP 53 H TRP 53 6.311 9.687 3.643 394 HA TRP 53 HA TRP 53 4.279 7.713 4.459 395 HB2 TRP 53 1HB TRP 53 3.303 9.488 5.865 396 HB3 TRP 53 2HB TRP 53 4.968 9.136 6.319 397 HD1 TRP 53 HD TRP 53 6.807 10.938 4.984 398 HE1 TRP 53 1HE TRP 53 6.590 13.500 4.879 399 HE3 TRP 53 3HE TRP 53 1.804 11.369 5.944 400 HZ2 TRP 53 2HZ TRP 53 4.566 15.447 5.168 401 HZ3 TRP 53 3HZ TRP 53 0.805 13.616 6.013 402 HH2 TRP 53 HH TRP 53 2.160 15.612 5.634 403 H PHE 54 H PHE 54 1.990 8.589 4.192 404 HA PHE 54 HA PHE 54 1.420 10.567 2.266 405 HB2 PHE 54 1HB PHE 54 0.738 9.175 0.379 406 HB3 PHE 54 2HB PHE 54 2.447 8.937 0.728 407 HD1 PHE 54 1HD PHE 54 -0.864 7.478 1.634 408 HD2 PHE 54 2HD PHE 54 3.246 6.787 0.770 409 HE1 PHE 54 1HE PHE 54 -1.242 5.052 1.794 410 HE2 PHE 54 2HE PHE 54 2.874 4.361 0.927 411 HZ PHE 54 HZ PHE 54 0.629 3.490 1.440 412 HA PRO 55 HA PRO 55 -2.575 10.047 4.009 413 HB2 PRO 55 1HB PRO 55 -4.134 11.069 2.034 414 HB3 PRO 55 2HB PRO 55 -3.112 12.073 3.069 415 HG2 PRO 55 1HG PRO 55 -2.595 11.073 0.295 416 HG3 PRO 55 2HG PRO 55 -2.295 12.680 0.979 417 HD2 PRO 55 1HD PRO 55 -0.334 10.838 0.670 418 HD3 PRO 55 2HD PRO 55 -0.334 12.020 1.996 419 H ALA 56 H ALA 56 -3.417 8.070 4.250 420 HA ALA 56 HA ALA 56 -3.565 6.069 2.325 421 HB1 ALA 56 3HB ALA 56 -5.666 5.979 4.373 422 HB2 ALA 56 1HB ALA 56 -4.417 4.800 3.971 423 HB3 ALA 56 2HB ALA 56 -4.028 6.185 4.992 424 H LYS 57 H LYS 57 -5.926 8.529 3.228 425 HA LYS 57 HA LYS 57 -8.179 7.632 1.934 426 HB2 LYS 57 1HB LYS 57 -8.798 10.026 1.675 427 HB3 LYS 57 2HB LYS 57 -8.236 9.623 3.292 428 HG2 LYS 57 1HG LYS 57 -5.971 10.484 2.578 429 HG3 LYS 57 2HG LYS 57 -6.772 11.123 1.142 430 HD2 LYS 57 1HD LYS 57 -7.896 11.748 3.835 431 HD3 LYS 57 2HD LYS 57 -6.461 12.614 3.280 432 HE2 LYS 57 1HE LYS 57 -8.208 13.973 2.571 433 HE3 LYS 57 2HE LYS 57 -7.819 13.034 1.130 434 HZ1 LYS 57 3HZ LYS 57 -9.805 12.040 1.155 435 HZ2 LYS 57 1HZ LYS 57 -10.284 13.300 2.179 436 HZ3 LYS 57 2HZ LYS 57 -9.802 11.816 2.832 437 H PHE 58 H PHE 58 -5.311 9.105 0.559 438 HA PHE 58 HA PHE 58 -6.365 9.574 -2.029 439 HB2 PHE 58 1HB PHE 58 -3.653 9.496 -0.806 440 HB3 PHE 58 2HB PHE 58 -3.755 9.346 -2.557 441 HD1 PHE 58 2HD PHE 58 -5.029 11.475 0.223 442 HD2 PHE 58 1HD PHE 58 -3.767 11.257 -3.837 443 HE1 PHE 58 2HE PHE 58 -5.238 13.918 0.031 444 HE2 PHE 58 1HE PHE 58 -3.973 13.701 -4.034 445 HZ PHE 58 HZ PHE 58 -4.708 15.035 -2.100 446 H VAL 59 H VAL 59 -4.912 6.796 -0.480 447 HA VAL 59 HA VAL 59 -5.156 5.283 -2.998 448 HB VAL 59 HB VAL 59 -3.530 3.741 -2.193 449 HG11 VAL 59 1HG1 VAL 59 -2.767 6.609 -1.724 450 HG12 VAL 59 2HG1 VAL 59 -1.591 5.295 -1.652 451 HG13 VAL 59 3HG1 VAL 59 -2.470 5.612 -3.148 452 HG21 VAL 59 3HG2 VAL 59 -3.817 3.306 0.020 453 HG22 VAL 59 1HG2 VAL 59 -2.470 4.437 0.152 454 HG23 VAL 59 2HG2 VAL 59 -4.119 4.994 0.427 455 H GLU 60 H GLU 60 -5.422 2.793 -2.381 456 HA GLU 60 HA GLU 60 -7.549 2.559 -0.364 457 HB2 GLU 60 1HB GLU 60 -8.621 2.731 -2.549 458 HB3 GLU 60 2HB GLU 60 -7.614 1.431 -3.167 459 HG2 GLU 60 1HG GLU 60 -8.745 -0.194 -1.983 460 HG3 GLU 60 2HG GLU 60 -9.370 0.956 -0.802 461 H VAL 61 H VAL 61 -7.283 0.906 0.990 462 HA VAL 61 HA VAL 61 -4.994 -0.748 0.871 463 HB VAL 61 HB VAL 61 -7.464 -1.164 2.558 464 HG11 VAL 61 1HG1 VAL 61 -6.401 -3.001 3.224 465 HG12 VAL 61 2HG1 VAL 61 -4.949 -2.567 2.321 466 HG13 VAL 61 3HG1 VAL 61 -5.191 -1.947 3.955 467 HG21 VAL 61 3HG2 VAL 61 -6.800 0.451 3.982 468 HG22 VAL 61 1HG2 VAL 61 -5.088 0.108 3.736 469 HG23 VAL 61 2HG2 VAL 61 -5.967 1.091 2.565 470 H LEU 62 H LEU 62 -4.778 -2.943 0.458 471 HA LEU 62 HA LEU 62 -7.076 -4.281 -0.796 472 HB2 LEU 62 1HB LEU 62 -4.358 -4.804 -1.867 473 HB3 LEU 62 2HB LEU 62 -5.923 -4.878 -2.675 474 HG LEU 62 HG LEU 62 -4.807 -2.226 -1.876 475 HD11 LEU 62 1HD1 LEU 62 -2.946 -2.707 -3.051 476 HD12 LEU 62 2HD1 LEU 62 -3.994 -2.397 -4.435 477 HD13 LEU 62 3HD1 LEU 62 -3.701 -4.053 -3.905 478 HD21 LEU 62 3HD2 LEU 62 -5.954 -2.012 -4.338 479 HD22 LEU 62 1HD2 LEU 62 -6.786 -1.732 -2.807 480 HD23 LEU 62 2HD2 LEU 62 -6.914 -3.299 -3.607 481 H ASP 63 H ASP 63 -7.264 -6.458 -0.422 482 HA ASP 63 HA ASP 63 -5.253 -7.648 1.375 483 HB2 ASP 63 1HB ASP 63 -7.586 -7.065 2.332 484 HB3 ASP 63 2HB ASP 63 -8.154 -8.442 1.393 485 H GLU 64 H GLU 64 -4.106 -8.752 -0.177 486 HA GLU 64 HA GLU 64 -5.066 -10.128 -2.366 487 HB2 GLU 64 1HB GLU 64 -2.674 -10.648 -0.609 488 HB3 GLU 64 2HB GLU 64 -2.996 -11.590 -2.059 489 HG2 GLU 64 1HG GLU 64 -2.861 -8.607 -2.182 490 HG3 GLU 64 2HG GLU 64 -1.392 -9.580 -2.193 491 H ARG 65 H ARG 65 -4.880 -12.609 -2.603 492 HA ARG 65 HA ARG 65 -6.828 -13.755 -0.814 493 HB2 ARG 65 1HB ARG 65 -6.793 -15.671 -2.320 494 HB3 ARG 65 2HB ARG 65 -6.924 -14.175 -3.236 495 HG2 ARG 65 1HG ARG 65 -4.685 -14.299 -3.956 496 HG3 ARG 65 2HG ARG 65 -4.298 -15.557 -2.781 497 HD2 ARG 65 1HD ARG 65 -5.508 -17.186 -3.963 498 HD3 ARG 65 2HD ARG 65 -6.356 -15.976 -4.926 499 HE ARG 65 HE ARG 65 -3.741 -15.626 -5.585 500 HH11 ARG 65 1HH1 ARG 65 -5.909 -18.349 -5.576 501 HH12 ARG 65 2HH1 ARG 65 -5.126 -19.143 -6.903 502 HH21 ARG 65 1HH2 ARG 65 -2.701 -16.661 -7.332 503 HH22 ARG 65 2HH2 ARG 65 -3.301 -18.182 -7.899 504 H SER 66 H SER 66 -6.501 -15.983 0.063 505 HA SER 66 HA SER 66 -5.451 -17.318 1.581 506 HB2 SER 66 1HB SER 66 -4.280 -17.933 -0.583 507 HB3 SER 66 2HB SER 66 -2.969 -16.865 -0.082 508 HG SER 66 HG SER 66 -2.887 -18.174 1.875 509 H LYS 67 H LYS 67 -5.648 -14.707 2.423 510 HA LYS 67 HA LYS 67 -3.185 -14.422 4.004 511 HB2 LYS 67 1HB LYS 67 -3.404 -12.715 2.123 512 HB3 LYS 67 2HB LYS 67 -4.776 -12.062 3.007 513 HG2 LYS 67 1HG LYS 67 -3.088 -10.708 3.747 514 HG3 LYS 67 2HG LYS 67 -3.079 -11.962 4.990 515 HD2 LYS 67 1HD LYS 67 -0.828 -11.745 4.458 516 HD3 LYS 67 2HD LYS 67 -1.332 -13.120 3.472 517 HE2 LYS 67 1HE LYS 67 -1.351 -11.852 1.510 518 HE3 LYS 67 2HE LYS 67 -1.390 -10.324 2.388 519 HZ1 LYS 67 3HZ LYS 67 0.933 -12.028 2.824 520 HZ2 LYS 67 1HZ LYS 67 0.832 -10.344 2.702 521 HZ3 LYS 67 2HZ LYS 67 0.811 -11.295 1.304 522 H GLU 68 H GLU 68 -3.730 -14.870 6.033 523 HA GLU 68 HA GLU 68 -5.583 -13.321 7.480 524 HB2 GLU 68 1HB GLU 68 -7.253 -14.641 6.277 525 HB3 GLU 68 2HB GLU 68 -6.494 -16.128 6.825 526 HG2 GLU 68 1HG GLU 68 -7.412 -14.167 8.861 527 HG3 GLU 68 2HG GLU 68 -8.612 -15.152 8.023 528 H TYR 69 H TYR 69 -4.318 -13.145 9.217 529 HA TYR 69 HA TYR 69 -3.230 -15.614 10.403 530 HB2 TYR 69 1HB TYR 69 -2.147 -12.794 10.425 531 HB3 TYR 69 2HB TYR 69 -1.531 -14.071 11.468 532 HD1 TYR 69 2HD TYR 69 -2.395 -13.738 7.839 533 HD2 TYR 69 1HD TYR 69 0.450 -14.986 10.747 534 HE1 TYR 69 2HE TYR 69 -0.886 -14.471 6.040 535 HE2 TYR 69 1HE TYR 69 1.966 -15.723 8.956 536 HH TYR 69 HH TYR 69 1.717 -14.797 5.840 537 H SER 70 H SER 70 -4.670 -16.179 11.930 538 HA SER 70 HA SER 70 -4.968 -14.463 14.227 539 HB2 SER 70 1HB SER 70 -6.801 -13.617 12.869 540 HB3 SER 70 2HB SER 70 -7.394 -15.256 12.601 541 HG SER 70 HG SER 70 -8.342 -13.846 14.373 542 H ILE 71 H ILE 71 -5.864 -15.565 16.062 543 HA ILE 71 HA ILE 71 -5.224 -18.373 16.058 544 HB ILE 71 HB ILE 71 -5.703 -18.296 18.459 545 HG12 ILE 71 1HG1 ILE 71 -6.194 -15.349 18.293 546 HG13 ILE 71 2HG1 ILE 71 -7.535 -16.455 18.013 547 HG21 ILE 71 1HG2 ILE 71 -3.743 -17.286 18.970 548 HG22 ILE 71 2HG2 ILE 71 -3.583 -17.241 17.215 549 HG23 ILE 71 3HG2 ILE 71 -4.144 -15.813 18.085 550 HD11 ILE 71 3HD1 ILE 71 -7.727 -16.039 20.257 551 HD12 ILE 71 1HD1 ILE 71 -6.760 -17.513 20.260 552 HD13 ILE 71 2HD1 ILE 71 -5.983 -15.948 20.501 553 H ALA 72 H ALA 72 -6.796 -19.797 17.451 554 HA ALA 72 HA ALA 72 -9.158 -20.129 15.925 555 HB1 ALA 72 3HB ALA 72 -9.249 -22.137 16.900 556 HB2 ALA 72 1HB ALA 72 -7.684 -21.720 17.598 557 HB3 ALA 72 2HB ALA 72 -9.162 -21.454 18.524 558 H SER 73 H SER 73 -10.505 -18.372 16.028 559 HA SER 73 HA SER 73 -11.834 -17.946 18.614 560 HB2 SER 73 1HB SER 73 -11.879 -15.553 18.290 561 HB3 SER 73 2HB SER 73 -10.207 -16.095 18.157 562 HG SER 73 HG SER 73 -11.737 -14.829 16.335 563 H GLY 74 H GLY 74 -14.028 -17.566 18.524 564 HA2 GLY 74 1HA GLY 74 -15.256 -17.524 15.843 565 HA3 GLY 74 2HA GLY 74 -15.798 -18.678 17.053 566 HA PRO 75 HA PRO 75 -18.477 -14.903 17.331 567 HB2 PRO 75 1HB PRO 75 -20.816 -16.281 17.412 568 HB3 PRO 75 2HB PRO 75 -20.032 -15.806 15.900 569 HG2 PRO 75 1HG PRO 75 -19.989 -18.447 17.309 570 HG3 PRO 75 2HG PRO 75 -20.174 -18.105 15.579 571 HD2 PRO 75 1HD PRO 75 -17.822 -18.893 16.663 572 HD3 PRO 75 2HD PRO 75 -17.911 -17.801 15.267 573 H SER 76 H SER 76 -17.633 -17.529 19.232 574 HA SER 76 HA SER 76 -19.260 -17.825 21.321 575 HB2 SER 76 1HB SER 76 -17.410 -18.314 22.680 576 HB3 SER 76 2HB SER 76 -16.797 -18.577 21.048 577 HG SER 76 HG SER 76 -15.375 -17.098 21.437 578 H SER 77 H SER 77 -20.344 -16.590 22.700 579 HA SER 77 HA SER 77 -21.056 -14.795 23.899 580 HB2 SER 77 1HB SER 77 -18.597 -15.136 24.757 581 HB3 SER 77 2HB SER 77 -18.293 -13.631 23.891 582 HG SER 77 HG SER 77 -18.888 -13.322 26.107 583 H GLY 78 H GLY 78 -21.327 -14.627 21.129 584 HA2 GLY 78 1HA GLY 78 -21.546 -11.759 20.829 585 HA3 GLY 78 2HA GLY 78 -20.412 -12.511 19.719 Start of MODEL 19 1 H1 GLY 1 H GLY 1 13.484 -9.333 -1.978 2 HA2 GLY 1 1HA GLY 1 12.247 -6.926 -2.339 3 HA3 GLY 1 2HA GLY 1 11.387 -8.457 -2.366 4 H SER 2 H SER 2 10.768 -9.322 -0.170 5 HA SER 2 HA SER 2 9.628 -7.116 1.374 6 HB2 SER 2 1HB SER 2 8.200 -9.022 0.479 7 HB3 SER 2 2HB SER 2 8.993 -10.055 1.669 8 HG SER 2 HG SER 2 8.278 -8.276 3.191 9 H SER 3 H SER 3 9.721 -7.083 3.671 10 HA SER 3 HA SER 3 12.001 -8.577 4.790 11 HB2 SER 3 1HB SER 3 11.122 -5.777 5.530 12 HB3 SER 3 2HB SER 3 12.504 -6.645 6.197 13 HG SER 3 HG SER 3 13.309 -6.714 3.988 14 H GLY 4 H GLY 4 10.842 -10.210 5.753 15 HA2 GLY 4 1HA GLY 4 10.070 -10.819 7.976 16 HA3 GLY 4 2HA GLY 4 9.092 -9.358 7.973 17 H SER 5 H SER 5 7.075 -10.151 8.190 18 HA SER 5 HA SER 5 6.140 -11.984 6.084 19 HB2 SER 5 1HB SER 5 5.607 -12.081 9.046 20 HB3 SER 5 2HB SER 5 4.492 -12.814 7.892 21 HG SER 5 HG SER 5 6.491 -13.895 7.070 22 H SER 6 H SER 6 5.266 -9.486 8.429 23 HA SER 6 HA SER 6 2.652 -9.051 7.386 24 HB2 SER 6 1HB SER 6 4.338 -7.137 9.015 25 HB3 SER 6 2HB SER 6 2.584 -7.115 8.837 26 HG SER 6 HG SER 6 3.555 -8.150 10.795 27 H GLY 7 H GLY 7 2.267 -8.287 5.418 28 HA2 GLY 7 1HA GLY 7 3.614 -5.849 4.557 29 HA3 GLY 7 2HA GLY 7 3.829 -7.258 3.530 30 H ARG 8 H ARG 8 2.082 -4.519 3.877 31 HA ARG 8 HA ARG 8 -0.285 -5.673 2.553 32 HB2 ARG 8 1HB ARG 8 0.035 -3.402 4.469 33 HB3 ARG 8 2HB ARG 8 -1.260 -3.332 3.281 34 HG2 ARG 8 1HG ARG 8 -1.777 -5.746 4.174 35 HG3 ARG 8 2HG ARG 8 -0.899 -5.168 5.592 36 HD2 ARG 8 1HD ARG 8 -2.426 -3.176 5.602 37 HD3 ARG 8 2HD ARG 8 -3.371 -3.978 4.349 38 HE ARG 8 HE ARG 8 -3.105 -5.764 6.465 39 HH11 ARG 8 1HH1 ARG 8 -4.563 -2.667 5.829 40 HH12 ARG 8 2HH1 ARG 8 -5.836 -2.883 6.986 41 HH21 ARG 8 1HH2 ARG 8 -4.773 -6.059 7.991 42 HH22 ARG 8 2HH2 ARG 8 -5.954 -4.812 8.217 43 H ARG 9 H ARG 9 -1.372 -4.128 1.018 44 HA ARG 9 HA ARG 9 0.429 -2.235 -0.272 45 HB2 ARG 9 1HB ARG 9 -0.817 -4.547 -1.769 46 HB3 ARG 9 2HB ARG 9 0.115 -3.239 -2.486 47 HG2 ARG 9 1HG ARG 9 2.010 -4.010 -0.940 48 HG3 ARG 9 2HG ARG 9 1.058 -5.483 -0.742 49 HD2 ARG 9 1HD ARG 9 0.993 -5.524 -3.316 50 HD3 ARG 9 2HD ARG 9 2.325 -4.373 -3.223 51 HE ARG 9 HE ARG 9 3.711 -6.081 -2.595 52 HH11 ARG 9 1HH1 ARG 9 0.403 -7.104 -2.230 53 HH12 ARG 9 2HH1 ARG 9 0.814 -8.752 -1.888 54 HH21 ARG 9 1HH2 ARG 9 4.264 -8.249 -2.144 55 HH22 ARG 9 2HH2 ARG 9 3.010 -9.402 -1.838 56 H ALA 10 H ALA 10 -0.616 -0.688 -1.542 57 HA ALA 10 HA ALA 10 -3.557 -0.790 -1.552 58 HB1 ALA 10 3HB ALA 10 -1.829 1.514 -0.676 59 HB2 ALA 10 1HB ALA 10 -3.544 1.671 -1.061 60 HB3 ALA 10 2HB ALA 10 -3.029 0.639 0.275 61 H LYS 11 H LYS 11 -4.579 0.326 -3.247 62 HA LYS 11 HA LYS 11 -2.854 0.742 -5.576 63 HB2 LYS 11 1HB LYS 11 -4.910 -0.802 -5.580 64 HB3 LYS 11 2HB LYS 11 -5.864 0.674 -5.595 65 HG2 LYS 11 1HG LYS 11 -4.473 1.316 -7.653 66 HG3 LYS 11 2HG LYS 11 -4.014 -0.388 -7.697 67 HD2 LYS 11 1HD LYS 11 -5.868 -0.295 -9.102 68 HD3 LYS 11 2HD LYS 11 -6.550 -0.846 -7.570 69 HE2 LYS 11 1HE LYS 11 -8.029 0.814 -8.269 70 HE3 LYS 11 2HE LYS 11 -6.992 1.643 -7.110 71 HZ1 LYS 11 3HZ LYS 11 -6.029 2.889 -8.723 72 HZ2 LYS 11 1HZ LYS 11 -7.524 2.641 -9.478 73 HZ3 LYS 11 2HZ LYS 11 -6.188 1.700 -9.918 74 H ALA 12 H ALA 12 -2.480 2.696 -6.405 75 HA ALA 12 HA ALA 12 -3.459 5.033 -5.083 76 HB1 ALA 12 3HB ALA 12 -1.246 5.147 -5.893 77 HB2 ALA 12 1HB ALA 12 -1.726 4.620 -7.507 78 HB3 ALA 12 2HB ALA 12 -2.189 6.221 -6.926 79 H LEU 13 H LEU 13 -5.570 5.499 -5.340 80 HA LEU 13 HA LEU 13 -7.079 4.986 -7.665 81 HB2 LEU 13 1HB LEU 13 -7.671 7.063 -5.569 82 HB3 LEU 13 2HB LEU 13 -8.821 6.265 -6.639 83 HG LEU 13 HG LEU 13 -7.254 4.839 -4.494 84 HD11 LEU 13 1HD1 LEU 13 -9.760 4.829 -3.566 85 HD12 LEU 13 2HD1 LEU 13 -9.767 6.391 -4.382 86 HD13 LEU 13 3HD1 LEU 13 -8.576 6.060 -3.124 87 HD21 LEU 13 3HD2 LEU 13 -8.803 3.935 -6.682 88 HD22 LEU 13 1HD2 LEU 13 -9.725 3.619 -5.212 89 HD23 LEU 13 2HD2 LEU 13 -8.087 2.984 -5.379 90 H LEU 14 H LEU 14 -4.972 7.571 -6.789 91 HA LEU 14 HA LEU 14 -5.335 8.777 -9.397 92 HB2 LEU 14 1HB LEU 14 -5.781 10.991 -8.603 93 HB3 LEU 14 2HB LEU 14 -7.008 9.898 -7.966 94 HG LEU 14 HG LEU 14 -5.348 9.886 -5.882 95 HD11 LEU 14 1HD1 LEU 14 -4.439 12.086 -7.540 96 HD12 LEU 14 2HD1 LEU 14 -3.699 11.363 -6.112 97 HD13 LEU 14 3HD1 LEU 14 -4.926 12.616 -5.929 98 HD21 LEU 14 3HD2 LEU 14 -7.552 11.761 -6.636 99 HD22 LEU 14 1HD2 LEU 14 -6.720 11.949 -5.093 100 HD23 LEU 14 2HD2 LEU 14 -7.551 10.439 -5.467 101 H ASP 15 H ASP 15 -3.797 10.797 -9.517 102 HA ASP 15 HA ASP 15 -1.183 9.824 -8.765 103 HB2 ASP 15 1HB ASP 15 -1.083 10.702 -10.894 104 HB3 ASP 15 2HB ASP 15 -2.232 11.988 -10.534 105 H PHE 16 H PHE 16 0.117 10.589 -7.199 106 HA PHE 16 HA PHE 16 -0.828 12.922 -5.667 107 HB2 PHE 16 1HB PHE 16 -1.122 10.828 -4.409 108 HB3 PHE 16 2HB PHE 16 0.590 10.467 -4.608 109 HD1 PHE 16 1HD PHE 16 -1.399 13.438 -3.523 110 HD2 PHE 16 2HD PHE 16 1.798 10.755 -2.690 111 HE1 PHE 16 1HE PHE 16 -0.904 14.675 -1.456 112 HE2 PHE 16 2HE PHE 16 2.297 11.987 -0.620 113 HZ PHE 16 HZ PHE 16 0.945 13.950 0.000 114 H GLU 17 H GLU 17 0.484 14.587 -5.975 115 HA GLU 17 HA GLU 17 3.277 14.144 -6.674 116 HB2 GLU 17 1HB GLU 17 1.405 16.469 -6.798 117 HB3 GLU 17 2HB GLU 17 3.135 16.779 -6.756 118 HG2 GLU 17 1HG GLU 17 2.788 16.704 -9.004 119 HG3 GLU 17 2HG GLU 17 3.182 15.014 -8.693 120 H ARG 18 H ARG 18 4.280 13.520 -4.791 121 HA ARG 18 HA ARG 18 3.948 14.360 -2.232 122 HB2 ARG 18 1HB ARG 18 6.137 13.624 -1.765 123 HB3 ARG 18 2HB ARG 18 5.623 12.667 -3.147 124 HG2 ARG 18 1HG ARG 18 6.811 14.438 -4.569 125 HG3 ARG 18 2HG ARG 18 7.576 14.932 -3.058 126 HD2 ARG 18 1HD ARG 18 8.517 12.741 -2.755 127 HD3 ARG 18 2HD ARG 18 7.623 12.120 -4.142 128 HE ARG 18 HE ARG 18 10.100 13.535 -4.192 129 HH11 ARG 18 1HH1 ARG 18 7.165 12.957 -5.972 130 HH12 ARG 18 2HH1 ARG 18 7.881 13.291 -7.515 131 HH21 ARG 18 1HH2 ARG 18 11.054 13.975 -6.217 132 HH22 ARG 18 2HH2 ARG 18 10.093 13.868 -7.653 133 H HIS 19 H HIS 19 3.899 16.283 -1.296 134 HA HIS 19 HA HIS 19 5.116 18.574 -2.607 135 HB2 HIS 19 1HB HIS 19 2.759 18.396 -1.413 136 HB3 HIS 19 2HB HIS 19 3.707 18.795 0.017 137 HD1 HIS 19 1HD HIS 19 2.943 20.194 -3.424 138 HD2 HIS 19 2HD HIS 19 4.236 21.450 0.321 139 HE1 HIS 19 1HE HIS 19 3.013 22.705 -3.542 140 HE2 HIS 19 2HE HIS 19 3.879 23.439 -1.294 141 H ASP 20 H ASP 20 6.664 16.409 -1.174 142 HA ASP 20 HA ASP 20 8.552 18.158 0.086 143 HB2 ASP 20 1HB ASP 20 6.757 17.610 1.862 144 HB3 ASP 20 2HB ASP 20 7.460 15.995 1.867 145 H ASP 21 H ASP 21 10.574 17.154 0.479 146 HA ASP 21 HA ASP 21 11.290 15.167 -1.355 147 HB2 ASP 21 1HB ASP 21 12.735 16.089 1.139 148 HB3 ASP 21 2HB ASP 21 13.450 15.094 -0.125 149 H ASP 22 H ASP 22 10.105 14.951 1.896 150 HA ASP 22 HA ASP 22 10.879 12.169 2.194 151 HB2 ASP 22 1HB ASP 22 9.568 14.214 3.935 152 HB3 ASP 22 2HB ASP 22 9.332 12.510 4.312 153 H GLU 23 H GLU 23 7.920 14.057 1.726 154 HA GLU 23 HA GLU 23 5.999 12.114 1.968 155 HB2 GLU 23 1HB GLU 23 6.235 14.567 0.289 156 HB3 GLU 23 2HB GLU 23 4.908 13.464 -0.040 157 HG2 GLU 23 1HG GLU 23 4.274 13.634 2.368 158 HG3 GLU 23 2HG GLU 23 5.494 14.894 2.539 159 H LEU 24 H LEU 24 5.381 10.357 0.864 160 HA LEU 24 HA LEU 24 6.978 9.550 -1.429 161 HB2 LEU 24 1HB LEU 24 6.548 8.000 0.453 162 HB3 LEU 24 2HB LEU 24 4.831 8.036 0.052 163 HG LEU 24 HG LEU 24 5.428 7.070 -2.184 164 HD11 LEU 24 1HD1 LEU 24 7.621 5.938 -2.343 165 HD12 LEU 24 2HD1 LEU 24 8.120 6.761 -0.865 166 HD13 LEU 24 3HD1 LEU 24 7.747 7.697 -2.311 167 HD21 LEU 24 3HD2 LEU 24 4.778 5.827 0.049 168 HD22 LEU 24 1HD2 LEU 24 6.415 5.185 -0.104 169 HD23 LEU 24 2HD2 LEU 24 5.243 4.931 -1.398 170 H GLY 25 H GLY 25 6.332 10.225 -3.368 171 HA2 GLY 25 1HA GLY 25 3.491 10.672 -3.882 172 HA3 GLY 25 2HA GLY 25 4.824 11.161 -4.917 173 H PHE 26 H PHE 26 2.629 10.001 -6.034 174 HA PHE 26 HA PHE 26 3.787 7.711 -7.310 175 HB2 PHE 26 1HB PHE 26 1.580 6.368 -6.786 176 HB3 PHE 26 2HB PHE 26 2.942 6.326 -5.669 177 HD1 PHE 26 1HD PHE 26 -0.449 7.559 -6.237 178 HD2 PHE 26 2HD PHE 26 2.837 7.448 -3.532 179 HE1 PHE 26 1HE PHE 26 -1.912 8.366 -4.431 180 HE2 PHE 26 2HE PHE 26 1.378 8.256 -1.723 181 HZ PHE 26 HZ PHE 26 -0.998 8.715 -2.170 182 H ARG 27 H ARG 27 1.928 6.686 -8.791 183 HA ARG 27 HA ARG 27 0.470 8.952 -9.987 184 HB2 ARG 27 1HB ARG 27 2.025 6.731 -11.290 185 HB3 ARG 27 2HB ARG 27 0.773 7.603 -12.164 186 HG2 ARG 27 1HG ARG 27 2.875 9.183 -10.785 187 HG3 ARG 27 2HG ARG 27 3.301 8.329 -12.270 188 HD2 ARG 27 1HD ARG 27 1.937 9.622 -13.569 189 HD3 ARG 27 2HD ARG 27 0.802 9.933 -12.256 190 HE ARG 27 HE ARG 27 3.251 11.187 -11.680 191 HH11 ARG 27 1HH1 ARG 27 0.545 11.439 -13.857 192 HH12 ARG 27 2HH1 ARG 27 0.708 13.151 -14.070 193 HH21 ARG 27 1HH2 ARG 27 3.477 13.441 -11.953 194 HH22 ARG 27 2HH2 ARG 27 2.376 14.288 -12.988 195 H LYS 28 H LYS 28 -1.393 8.257 -11.364 196 HA LYS 28 HA LYS 28 -3.227 6.766 -9.881 197 HB2 LYS 28 1HB LYS 28 -3.720 8.486 -11.677 198 HB3 LYS 28 2HB LYS 28 -3.385 7.228 -12.860 199 HG2 LYS 28 1HG LYS 28 -5.245 5.955 -12.191 200 HG3 LYS 28 2HG LYS 28 -5.447 6.888 -10.705 201 HD2 LYS 28 1HD LYS 28 -5.807 8.892 -12.313 202 HD3 LYS 28 2HD LYS 28 -6.111 7.645 -13.526 203 HE2 LYS 28 1HE LYS 28 -7.780 6.671 -11.875 204 HE3 LYS 28 2HE LYS 28 -7.613 8.178 -10.975 205 HZ1 LYS 28 3HZ LYS 28 -8.205 9.315 -13.135 206 HZ2 LYS 28 1HZ LYS 28 -9.455 8.469 -12.370 207 HZ3 LYS 28 2HZ LYS 28 -8.675 7.794 -13.710 208 H ASN 29 H ASN 29 -3.894 4.675 -9.906 209 HA ASN 29 HA ASN 29 -3.847 2.429 -10.255 210 HB2 ASN 29 1HB ASN 29 -2.984 3.356 -12.997 211 HB3 ASN 29 2HB ASN 29 -3.273 1.662 -12.605 212 HD21 ASN 29 1HD2 ASN 29 -4.624 3.614 -14.424 213 HD22 ASN 29 2HD2 ASN 29 -6.296 3.526 -13.995 214 H ASP 30 H ASP 30 -1.811 3.207 -8.772 215 HA ASP 30 HA ASP 30 0.462 1.641 -9.796 216 HB2 ASP 30 1HB ASP 30 0.518 4.270 -8.315 217 HB3 ASP 30 2HB ASP 30 1.921 3.208 -8.409 218 H ILE 31 H ILE 31 1.417 0.241 -8.381 219 HA ILE 31 HA ILE 31 -0.033 -0.240 -5.895 220 HB ILE 31 HB ILE 31 2.116 -1.932 -7.170 221 HG12 ILE 31 1HG1 ILE 31 0.118 -1.655 -8.623 222 HG13 ILE 31 2HG1 ILE 31 0.330 -3.311 -8.061 223 HG21 ILE 31 1HG2 ILE 31 0.186 -3.287 -5.502 224 HG22 ILE 31 2HG2 ILE 31 1.947 -3.292 -5.419 225 HG23 ILE 31 3HG2 ILE 31 1.029 -2.019 -4.615 226 HD11 ILE 31 3HD1 ILE 31 -1.650 -3.316 -7.062 227 HD12 ILE 31 1HD1 ILE 31 -1.352 -1.761 -6.284 228 HD13 ILE 31 2HD1 ILE 31 -1.979 -1.817 -7.932 229 H ILE 32 H ILE 32 0.780 0.124 -3.923 230 HA ILE 32 HA ILE 32 3.648 0.755 -3.693 231 HB ILE 32 HB ILE 32 1.398 2.163 -2.249 232 HG12 ILE 32 1HG1 ILE 32 3.340 3.457 -4.136 233 HG13 ILE 32 2HG1 ILE 32 1.905 2.651 -4.762 234 HG21 ILE 32 1HG2 ILE 32 3.412 1.906 -0.878 235 HG22 ILE 32 2HG2 ILE 32 4.374 2.647 -2.157 236 HG23 ILE 32 3HG2 ILE 32 3.139 3.591 -1.323 237 HD11 ILE 32 3HD1 ILE 32 0.486 4.120 -3.468 238 HD12 ILE 32 1HD1 ILE 32 1.903 4.893 -2.755 239 HD13 ILE 32 2HD1 ILE 32 1.582 5.058 -4.482 240 H THR 33 H THR 33 4.714 -0.138 -2.009 241 HA THR 33 HA THR 33 3.314 -2.146 -0.460 242 HB THR 33 HB THR 33 6.238 -1.401 -0.615 243 HG1 THR 33 1HG THR 33 6.079 -2.698 -2.277 244 HG21 THR 33 3HG2 THR 33 6.621 -2.550 1.253 245 HG22 THR 33 1HG2 THR 33 5.818 -3.961 0.564 246 HG23 THR 33 2HG2 THR 33 4.885 -2.770 1.469 247 H ILE 34 H ILE 34 2.718 -1.985 1.613 248 HA ILE 34 HA ILE 34 3.227 0.531 2.998 249 HB ILE 34 HB ILE 34 1.412 -1.751 3.782 250 HG12 ILE 34 1HG1 ILE 34 0.837 0.869 2.386 251 HG13 ILE 34 2HG1 ILE 34 0.646 -0.747 1.715 252 HG21 ILE 34 1HG2 ILE 34 0.972 -0.674 5.683 253 HG22 ILE 34 2HG2 ILE 34 2.398 0.306 5.344 254 HG23 ILE 34 3HG2 ILE 34 0.802 0.873 4.853 255 HD11 ILE 34 3HD1 ILE 34 -0.858 -0.417 4.161 256 HD12 ILE 34 1HD1 ILE 34 -1.300 0.778 2.943 257 HD13 ILE 34 2HD1 ILE 34 -1.391 -0.942 2.565 258 H ILE 35 H ILE 35 5.002 0.633 4.201 259 HA ILE 35 HA ILE 35 6.180 -1.744 5.355 260 HB ILE 35 HB ILE 35 7.071 1.109 5.755 261 HG12 ILE 35 1HG1 ILE 35 6.832 0.212 3.309 262 HG13 ILE 35 2HG1 ILE 35 8.305 1.046 3.790 263 HG21 ILE 35 1HG2 ILE 35 9.312 -0.336 5.810 264 HG22 ILE 35 2HG2 ILE 35 8.334 -0.039 7.247 265 HG23 ILE 35 3HG2 ILE 35 8.179 -1.564 6.376 266 HD11 ILE 35 3HD1 ILE 35 8.166 -1.917 4.029 267 HD12 ILE 35 1HD1 ILE 35 8.419 -1.179 2.448 268 HD13 ILE 35 2HD1 ILE 35 9.559 -0.871 3.757 269 H SER 36 H SER 36 5.330 1.430 6.751 270 HA SER 36 HA SER 36 4.302 0.031 9.121 271 HB2 SER 36 1HB SER 36 6.716 1.095 9.284 272 HB3 SER 36 2HB SER 36 5.805 2.591 9.494 273 HG SER 36 HG SER 36 6.014 1.810 11.514 274 H GLN 37 H GLN 37 2.227 0.542 9.284 275 HA GLN 37 HA GLN 37 1.103 2.863 8.062 276 HB2 GLN 37 1HB GLN 37 -0.013 0.730 9.871 277 HB3 GLN 37 2HB GLN 37 -0.982 2.093 9.331 278 HG2 GLN 37 1HG GLN 37 -0.686 1.442 7.027 279 HG3 GLN 37 2HG GLN 37 0.390 0.132 7.508 280 HE21 GLN 37 1HE2 GLN 37 -2.331 0.336 6.150 281 HE22 GLN 37 2HE2 GLN 37 -3.296 -0.825 6.992 282 H LYS 38 H LYS 38 2.394 4.501 9.125 283 HA LYS 38 HA LYS 38 2.698 5.073 11.747 284 HB2 LYS 38 1HB LYS 38 3.225 6.460 9.556 285 HB3 LYS 38 2HB LYS 38 1.759 7.316 10.013 286 HG2 LYS 38 1HG LYS 38 2.700 8.216 11.892 287 HG3 LYS 38 2HG LYS 38 3.864 6.902 12.072 288 HD2 LYS 38 1HD LYS 38 5.202 7.743 10.284 289 HD3 LYS 38 2HD LYS 38 3.966 8.921 9.836 290 HE2 LYS 38 1HE LYS 38 5.744 10.026 11.042 291 HE3 LYS 38 2HE LYS 38 4.275 10.029 12.018 292 HZ1 LYS 38 3HZ LYS 38 6.447 9.428 13.163 293 HZ2 LYS 38 1HZ LYS 38 6.344 7.946 12.352 294 HZ3 LYS 38 2HZ LYS 38 5.126 8.405 13.433 295 H ASP 39 H ASP 39 -0.206 5.819 9.839 296 HA ASP 39 HA ASP 39 -1.964 5.371 12.002 297 HB2 ASP 39 1HB ASP 39 -2.779 7.803 12.130 298 HB3 ASP 39 2HB ASP 39 -1.292 7.402 12.983 299 H GLU 40 H GLU 40 -4.180 5.616 11.415 300 HA GLU 40 HA GLU 40 -4.832 4.912 8.840 301 HB2 GLU 40 1HB GLU 40 -6.314 4.767 10.866 302 HB3 GLU 40 2HB GLU 40 -6.638 6.483 10.679 303 HG2 GLU 40 1HG GLU 40 -7.189 4.459 8.530 304 HG3 GLU 40 2HG GLU 40 -8.374 4.941 9.743 305 H HIS 41 H HIS 41 -4.111 8.045 10.078 306 HA HIS 41 HA HIS 41 -5.293 9.435 7.818 307 HB2 HIS 41 1HB HIS 41 -3.695 10.420 10.187 308 HB3 HIS 41 2HB HIS 41 -4.335 11.470 8.926 309 HD1 HIS 41 1HD HIS 41 -5.896 12.717 10.532 310 HD2 HIS 41 2HD HIS 41 -6.573 8.621 10.388 311 HE1 HIS 41 1HE HIS 41 -8.085 12.355 11.717 312 HE2 HIS 41 2HE HIS 41 -8.432 9.861 11.690 313 H CYS 42 H CYS 42 -2.140 8.428 8.976 314 HA CYS 42 HA CYS 42 -1.015 9.152 6.367 315 HB2 CYS 42 1HB CYS 42 0.305 9.736 9.026 316 HB3 CYS 42 2HB CYS 42 1.044 9.973 7.448 317 HG CYS 42 HG CYS 42 0.436 12.500 8.114 318 H TRP 43 H TRP 43 -0.093 7.447 5.459 319 HA TRP 43 HA TRP 43 0.910 5.298 7.210 320 HB2 TRP 43 1HB TRP 43 -0.413 5.169 4.501 321 HB3 TRP 43 2HB TRP 43 0.492 3.816 5.175 322 HD1 TRP 43 HD TRP 43 -0.873 4.890 8.190 323 HE1 TRP 43 1HE TRP 43 -3.178 3.870 8.717 324 HE3 TRP 43 3HE TRP 43 -2.142 3.288 3.503 325 HZ2 TRP 43 2HZ TRP 43 -5.257 2.559 7.329 326 HZ3 TRP 43 3HZ TRP 43 -4.305 2.160 3.188 327 HH2 TRP 43 HH TRP 43 -5.829 1.804 5.062 328 H VAL 44 H VAL 44 2.770 4.117 6.471 329 HA VAL 44 HA VAL 44 4.502 5.715 4.699 330 HB VAL 44 HB VAL 44 5.302 3.967 7.029 331 HG11 VAL 44 1HG1 VAL 44 6.779 4.402 4.784 332 HG12 VAL 44 2HG1 VAL 44 7.301 5.733 5.816 333 HG13 VAL 44 3HG1 VAL 44 7.449 4.069 6.381 334 HG21 VAL 44 3HG2 VAL 44 4.465 6.660 6.926 335 HG22 VAL 44 1HG2 VAL 44 5.145 5.783 8.297 336 HG23 VAL 44 2HG2 VAL 44 6.206 6.670 7.203 337 H GLY 45 H GLY 45 4.806 4.771 2.795 338 HA2 GLY 45 1HA GLY 45 4.971 1.821 2.719 339 HA3 GLY 45 2HA GLY 45 4.244 2.776 1.435 340 H GLU 46 H GLU 46 5.834 1.431 0.184 341 HA GLU 46 HA GLU 46 8.335 2.945 -0.066 342 HB2 GLU 46 1HB GLU 46 8.450 0.592 1.146 343 HB3 GLU 46 2HB GLU 46 8.414 -0.006 -0.508 344 HG2 GLU 46 1HG GLU 46 10.462 0.892 -1.025 345 HG3 GLU 46 2HG GLU 46 10.357 2.127 0.226 346 H LEU 47 H LEU 47 8.588 3.669 -2.066 347 HA LEU 47 HA LEU 47 7.899 2.040 -4.351 348 HB2 LEU 47 1HB LEU 47 5.793 3.245 -3.664 349 HB3 LEU 47 2HB LEU 47 6.617 4.748 -4.074 350 HG LEU 47 HG LEU 47 6.935 3.501 -6.395 351 HD11 LEU 47 1HD1 LEU 47 4.824 1.992 -4.986 352 HD12 LEU 47 2HD1 LEU 47 5.926 1.484 -6.266 353 HD13 LEU 47 3HD1 LEU 47 4.495 2.436 -6.661 354 HD21 LEU 47 3HD2 LEU 47 4.196 4.527 -6.081 355 HD22 LEU 47 1HD2 LEU 47 5.481 5.029 -7.178 356 HD23 LEU 47 2HD2 LEU 47 5.477 5.595 -5.508 357 H ASN 48 H ASN 48 8.957 2.657 -6.226 358 HA ASN 48 HA ASN 48 10.663 3.536 -7.449 359 HB2 ASN 48 1HB ASN 48 9.602 5.995 -6.065 360 HB3 ASN 48 2HB ASN 48 10.920 6.079 -7.229 361 HD21 ASN 48 1HD2 ASN 48 7.555 5.802 -6.771 362 HD22 ASN 48 2HD2 ASN 48 7.101 5.720 -8.435 363 H GLY 49 H GLY 49 11.247 2.442 -4.787 364 HA2 GLY 49 1HA GLY 49 13.140 2.128 -3.520 365 HA3 GLY 49 2HA GLY 49 13.986 3.188 -4.639 366 H LEU 50 H LEU 50 11.136 4.326 -3.025 367 HA LEU 50 HA LEU 50 12.820 5.921 -1.210 368 HB2 LEU 50 1HB LEU 50 10.262 6.879 -2.467 369 HB3 LEU 50 2HB LEU 50 11.430 7.821 -1.542 370 HG LEU 50 HG LEU 50 11.957 6.625 -4.260 371 HD11 LEU 50 1HD1 LEU 50 10.284 8.327 -4.488 372 HD12 LEU 50 2HD1 LEU 50 11.828 8.979 -5.036 373 HD13 LEU 50 3HD1 LEU 50 11.195 9.424 -3.451 374 HD21 LEU 50 3HD2 LEU 50 13.850 7.131 -2.537 375 HD22 LEU 50 1HD2 LEU 50 13.538 8.809 -2.981 376 HD23 LEU 50 2HD2 LEU 50 14.021 7.646 -4.215 377 H ARG 51 H ARG 51 11.943 6.434 0.821 378 HA ARG 51 HA ARG 51 9.473 5.017 1.551 379 HB2 ARG 51 1HB ARG 51 12.191 4.755 2.742 380 HB3 ARG 51 2HB ARG 51 10.810 4.706 3.831 381 HG2 ARG 51 1HG ARG 51 9.892 2.932 2.179 382 HG3 ARG 51 2HG ARG 51 11.575 2.805 1.660 383 HD2 ARG 51 1HD ARG 51 10.907 2.688 4.569 384 HD3 ARG 51 2HD ARG 51 10.661 1.263 3.560 385 HE ARG 51 HE ARG 51 13.238 2.221 3.083 386 HH11 ARG 51 1HH1 ARG 51 11.392 0.802 5.671 387 HH12 ARG 51 2HH1 ARG 51 12.768 0.060 6.419 388 HH21 ARG 51 1HH2 ARG 51 15.055 1.249 4.057 389 HH22 ARG 51 2HH2 ARG 51 14.851 0.314 5.501 390 H GLY 52 H GLY 52 8.056 6.457 2.272 391 HA2 GLY 52 1HA GLY 52 8.879 8.419 4.256 392 HA3 GLY 52 2HA GLY 52 8.271 9.075 2.744 393 H TRP 53 H TRP 53 6.538 10.057 3.874 394 HA TRP 53 HA TRP 53 4.490 8.165 4.826 395 HB2 TRP 53 1HB TRP 53 3.696 9.795 6.332 396 HB3 TRP 53 2HB TRP 53 5.450 9.905 6.448 397 HD1 TRP 53 HD TRP 53 6.605 12.038 5.144 398 HE1 TRP 53 1HE TRP 53 5.674 14.401 4.725 399 HE3 TRP 53 3HE TRP 53 1.636 11.100 5.904 400 HZ2 TRP 53 2HZ TRP 53 3.167 15.697 4.717 401 HZ3 TRP 53 3HZ TRP 53 0.038 12.957 5.672 402 HH2 TRP 53 HH TRP 53 0.788 15.206 5.092 403 H PHE 54 H PHE 54 2.271 8.654 4.329 404 HA PHE 54 HA PHE 54 1.578 10.683 2.450 405 HB2 PHE 54 1HB PHE 54 1.084 9.310 0.529 406 HB3 PHE 54 2HB PHE 54 2.770 9.064 0.970 407 HD1 PHE 54 1HD PHE 54 -0.606 7.579 1.121 408 HD2 PHE 54 2HD PHE 54 3.577 6.933 1.575 409 HE1 PHE 54 1HE PHE 54 -0.994 5.152 1.227 410 HE2 PHE 54 2HE PHE 54 3.194 4.505 1.681 411 HZ PHE 54 HZ PHE 54 0.907 3.611 1.507 412 HA PRO 55 HA PRO 55 -2.392 9.878 4.144 413 HB2 PRO 55 1HB PRO 55 -3.986 10.843 2.169 414 HB3 PRO 55 2HB PRO 55 -3.043 11.887 3.238 415 HG2 PRO 55 1HG PRO 55 -2.428 10.979 0.453 416 HG3 PRO 55 2HG PRO 55 -2.237 12.589 1.172 417 HD2 PRO 55 1HD PRO 55 -0.162 10.879 0.855 418 HD3 PRO 55 2HD PRO 55 -0.253 12.030 2.203 419 H ALA 56 H ALA 56 -3.769 8.198 4.245 420 HA ALA 56 HA ALA 56 -3.576 6.109 2.275 421 HB1 ALA 56 3HB ALA 56 -3.811 5.885 4.845 422 HB2 ALA 56 1HB ALA 56 -5.536 6.078 4.531 423 HB3 ALA 56 2HB ALA 56 -4.650 4.740 3.799 424 H LYS 57 H LYS 57 -5.827 8.635 3.091 425 HA LYS 57 HA LYS 57 -8.139 7.652 1.856 426 HB2 LYS 57 1HB LYS 57 -8.838 10.025 1.719 427 HB3 LYS 57 2HB LYS 57 -8.222 9.587 3.306 428 HG2 LYS 57 1HG LYS 57 -7.141 11.558 3.037 429 HG3 LYS 57 2HG LYS 57 -5.960 10.496 2.266 430 HD2 LYS 57 1HD LYS 57 -6.451 11.248 0.166 431 HD3 LYS 57 2HD LYS 57 -8.130 11.615 0.573 432 HE2 LYS 57 1HE LYS 57 -6.474 13.561 0.143 433 HE3 LYS 57 2HE LYS 57 -7.593 13.664 1.504 434 HZ1 LYS 57 3HZ LYS 57 -4.759 12.788 1.677 435 HZ2 LYS 57 1HZ LYS 57 -5.834 12.936 2.975 436 HZ3 LYS 57 2HZ LYS 57 -5.341 14.312 2.124 437 H PHE 58 H PHE 58 -5.187 8.615 0.499 438 HA PHE 58 HA PHE 58 -6.257 9.436 -2.054 439 HB2 PHE 58 1HB PHE 58 -3.563 9.217 -0.827 440 HB3 PHE 58 2HB PHE 58 -3.646 9.061 -2.579 441 HD1 PHE 58 2HD PHE 58 -4.394 11.289 0.265 442 HD2 PHE 58 1HD PHE 58 -4.017 10.939 -3.960 443 HE1 PHE 58 2HE PHE 58 -4.484 13.739 0.057 444 HE2 PHE 58 1HE PHE 58 -4.104 13.388 -4.175 445 HZ PHE 58 HZ PHE 58 -4.339 14.791 -2.164 446 H VAL 59 H VAL 59 -4.865 6.551 -0.623 447 HA VAL 59 HA VAL 59 -5.258 5.127 -3.171 448 HB VAL 59 HB VAL 59 -3.639 3.527 -2.506 449 HG11 VAL 59 1HG1 VAL 59 -1.673 5.081 -1.813 450 HG12 VAL 59 2HG1 VAL 59 -2.457 5.313 -3.376 451 HG13 VAL 59 3HG1 VAL 59 -2.857 6.371 -2.021 452 HG21 VAL 59 3HG2 VAL 59 -2.634 3.406 -0.330 453 HG22 VAL 59 1HG2 VAL 59 -3.473 4.868 0.189 454 HG23 VAL 59 2HG2 VAL 59 -4.387 3.395 -0.134 455 H GLU 60 H GLU 60 -5.636 2.655 -2.680 456 HA GLU 60 HA GLU 60 -7.701 2.434 -0.592 457 HB2 GLU 60 1HB GLU 60 -8.633 2.646 -2.927 458 HB3 GLU 60 2HB GLU 60 -7.853 1.115 -3.303 459 HG2 GLU 60 1HG GLU 60 -10.129 0.667 -2.807 460 HG3 GLU 60 2HG GLU 60 -9.161 0.073 -1.460 461 H VAL 61 H VAL 61 -7.539 0.714 0.713 462 HA VAL 61 HA VAL 61 -5.252 -0.961 0.595 463 HB VAL 61 HB VAL 61 -7.730 -1.407 2.263 464 HG11 VAL 61 1HG1 VAL 61 -4.885 -2.357 2.444 465 HG12 VAL 61 2HG1 VAL 61 -5.972 -2.374 3.834 466 HG13 VAL 61 3HG1 VAL 61 -6.365 -3.316 2.394 467 HG21 VAL 61 3HG2 VAL 61 -5.937 -0.208 3.922 468 HG22 VAL 61 1HG2 VAL 61 -5.650 0.655 2.412 469 HG23 VAL 61 2HG2 VAL 61 -7.268 0.621 3.114 470 H LEU 62 H LEU 62 -5.126 -3.212 0.282 471 HA LEU 62 HA LEU 62 -7.421 -4.463 -1.058 472 HB2 LEU 62 1HB LEU 62 -4.696 -5.065 -2.073 473 HB3 LEU 62 2HB LEU 62 -6.246 -5.097 -2.912 474 HG LEU 62 HG LEU 62 -5.127 -2.460 -2.091 475 HD11 LEU 62 1HD1 LEU 62 -3.231 -3.658 -3.105 476 HD12 LEU 62 2HD1 LEU 62 -3.793 -2.315 -4.102 477 HD13 LEU 62 3HD1 LEU 62 -4.215 -3.972 -4.535 478 HD21 LEU 62 3HD2 LEU 62 -6.106 -2.184 -4.578 479 HD22 LEU 62 1HD2 LEU 62 -7.092 -2.044 -3.123 480 HD23 LEU 62 2HD2 LEU 62 -7.065 -3.557 -4.027 481 H ASP 63 H ASP 63 -7.580 -6.699 -0.830 482 HA ASP 63 HA ASP 63 -5.640 -7.958 0.989 483 HB2 ASP 63 1HB ASP 63 -7.723 -9.224 1.890 484 HB3 ASP 63 2HB ASP 63 -7.412 -7.588 2.459 485 H GLU 64 H GLU 64 -4.647 -9.404 -0.272 486 HA GLU 64 HA GLU 64 -6.179 -10.898 -2.258 487 HB2 GLU 64 1HB GLU 64 -3.235 -10.560 -1.733 488 HB3 GLU 64 2HB GLU 64 -3.837 -11.799 -2.824 489 HG2 GLU 64 1HG GLU 64 -4.966 -10.019 -4.133 490 HG3 GLU 64 2HG GLU 64 -4.192 -8.824 -3.094 491 H ARG 65 H ARG 65 -6.087 -13.199 -2.386 492 HA ARG 65 HA ARG 65 -6.647 -15.175 -1.329 493 HB2 ARG 65 1HB ARG 65 -4.665 -16.327 -0.526 494 HB3 ARG 65 2HB ARG 65 -4.271 -15.389 -1.961 495 HG2 ARG 65 1HG ARG 65 -3.359 -13.615 -0.486 496 HG3 ARG 65 2HG ARG 65 -3.641 -14.679 0.894 497 HD2 ARG 65 1HD ARG 65 -2.236 -16.394 -0.407 498 HD3 ARG 65 2HD ARG 65 -1.725 -15.023 -1.389 499 HE ARG 65 HE ARG 65 -1.416 -14.578 1.428 500 HH11 ARG 65 1HH1 ARG 65 0.043 -15.954 -1.417 501 HH12 ARG 65 2HH1 ARG 65 1.661 -15.834 -0.805 502 HH21 ARG 65 1HH2 ARG 65 0.708 -14.413 2.244 503 HH22 ARG 65 2HH2 ARG 65 2.037 -14.957 1.278 504 H SER 66 H SER 66 -7.636 -13.059 0.187 505 HA SER 66 HA SER 66 -7.340 -14.149 2.902 506 HB2 SER 66 1HB SER 66 -6.177 -11.865 2.454 507 HB3 SER 66 2HB SER 66 -7.815 -11.213 2.462 508 HG SER 66 HG SER 66 -7.864 -12.574 4.564 509 H LYS 67 H LYS 67 -9.201 -14.507 3.973 510 HA LYS 67 HA LYS 67 -11.684 -14.080 2.523 511 HB2 LYS 67 1HB LYS 67 -10.898 -16.222 3.838 512 HB3 LYS 67 2HB LYS 67 -11.559 -15.364 5.224 513 HG2 LYS 67 1HG LYS 67 -13.170 -15.773 2.731 514 HG3 LYS 67 2HG LYS 67 -13.072 -17.011 3.985 515 HD2 LYS 67 1HD LYS 67 -13.744 -14.214 4.768 516 HD3 LYS 67 2HD LYS 67 -14.988 -15.210 4.009 517 HE2 LYS 67 1HE LYS 67 -13.395 -16.024 6.435 518 HE3 LYS 67 2HE LYS 67 -14.994 -15.289 6.499 519 HZ1 LYS 67 3HZ LYS 67 -15.840 -17.165 5.196 520 HZ2 LYS 67 1HZ LYS 67 -15.168 -17.671 6.664 521 HZ3 LYS 67 2HZ LYS 67 -14.308 -17.881 5.224 522 H GLU 68 H GLU 68 -11.880 -11.809 2.739 523 HA GLU 68 HA GLU 68 -13.031 -11.011 5.301 524 HB2 GLU 68 1HB GLU 68 -10.652 -10.325 5.372 525 HB3 GLU 68 2HB GLU 68 -10.895 -9.389 3.904 526 HG2 GLU 68 1HG GLU 68 -12.563 -8.016 5.094 527 HG3 GLU 68 2HG GLU 68 -12.211 -8.915 6.568 528 H TYR 69 H TYR 69 -14.939 -10.114 4.935 529 HA TYR 69 HA TYR 69 -15.346 -8.631 2.424 530 HB2 TYR 69 1HB TYR 69 -17.543 -10.176 3.777 531 HB3 TYR 69 2HB TYR 69 -17.485 -9.569 2.126 532 HD1 TYR 69 1HD TYR 69 -15.025 -10.535 1.037 533 HD2 TYR 69 2HD TYR 69 -17.665 -12.479 3.750 534 HE1 TYR 69 1HE TYR 69 -14.206 -12.720 0.258 535 HE2 TYR 69 2HE TYR 69 -16.852 -14.669 2.981 536 HH TYR 69 HH TYR 69 -14.877 -15.019 0.192 537 H SER 70 H SER 70 -17.186 -7.087 2.530 538 HA SER 70 HA SER 70 -17.638 -6.043 5.241 539 HB2 SER 70 1HB SER 70 -15.809 -4.819 3.851 540 HB3 SER 70 2HB SER 70 -17.171 -4.167 2.940 541 HG SER 70 HG SER 70 -17.098 -4.031 5.755 542 H ILE 71 H ILE 71 -18.681 -6.302 1.906 543 HA ILE 71 HA ILE 71 -21.016 -4.789 1.999 544 HB ILE 71 HB ILE 71 -21.831 -6.180 0.142 545 HG12 ILE 71 1HG1 ILE 71 -19.316 -7.810 0.329 546 HG13 ILE 71 2HG1 ILE 71 -20.758 -8.297 1.213 547 HG21 ILE 71 1HG2 ILE 71 -19.389 -4.707 0.240 548 HG22 ILE 71 2HG2 ILE 71 -19.231 -6.014 -0.934 549 HG23 ILE 71 3HG2 ILE 71 -20.546 -4.850 -1.083 550 HD11 ILE 71 3HD1 ILE 71 -20.128 -8.975 -1.371 551 HD12 ILE 71 1HD1 ILE 71 -21.715 -9.113 -0.616 552 HD13 ILE 71 2HD1 ILE 71 -21.312 -7.683 -1.568 553 H ALA 72 H ALA 72 -23.237 -5.453 2.173 554 HA ALA 72 HA ALA 72 -23.639 -7.817 3.885 555 HB1 ALA 72 3HB ALA 72 -24.511 -6.584 5.512 556 HB2 ALA 72 1HB ALA 72 -23.994 -5.145 4.631 557 HB3 ALA 72 2HB ALA 72 -25.616 -5.793 4.388 558 H SER 73 H SER 73 -24.604 -9.233 2.553 559 HA SER 73 HA SER 73 -26.084 -8.798 0.304 560 HB2 SER 73 1HB SER 73 -26.027 -10.992 2.319 561 HB3 SER 73 2HB SER 73 -27.338 -11.001 1.138 562 HG SER 73 HG SER 73 -24.741 -10.582 0.206 563 H GLY 74 H GLY 74 -28.456 -9.162 -0.047 564 HA2 GLY 74 1HA GLY 74 -30.417 -8.817 1.882 565 HA3 GLY 74 2HA GLY 74 -29.930 -7.202 1.388 566 HA PRO 75 HA PRO 75 -31.806 -9.389 -2.515 567 HB2 PRO 75 1HB PRO 75 -33.210 -11.662 -2.029 568 HB3 PRO 75 2HB PRO 75 -31.484 -11.663 -2.414 569 HG2 PRO 75 1HG PRO 75 -32.832 -11.867 0.252 570 HG3 PRO 75 2HG PRO 75 -31.446 -12.779 -0.373 571 HD2 PRO 75 1HD PRO 75 -31.166 -10.686 1.321 572 HD3 PRO 75 2HD PRO 75 -29.960 -11.076 0.078 573 H SER 76 H SER 76 -33.458 -8.096 -2.990 574 HA SER 76 HA SER 76 -35.497 -7.407 -1.144 575 HB2 SER 76 1HB SER 76 -36.525 -6.235 -3.108 576 HB3 SER 76 2HB SER 76 -34.837 -5.809 -2.828 577 HG SER 76 HG SER 76 -35.593 -6.387 -5.072 578 H SER 77 H SER 77 -35.457 -9.465 -4.034 579 HA SER 77 HA SER 77 -38.212 -10.261 -3.605 580 HB2 SER 77 1HB SER 77 -37.040 -9.914 -5.891 581 HB3 SER 77 2HB SER 77 -36.352 -11.513 -5.613 582 HG SER 77 HG SER 77 -39.122 -11.099 -5.350 583 H GLY 78 H GLY 78 -36.615 -10.913 -1.431 584 HA2 GLY 78 1HA GLY 78 -36.154 -13.809 -1.695 585 HA3 GLY 78 2HA GLY 78 -35.498 -12.786 -0.426 Start of MODEL 20 1 H1 GLY 1 H GLY 1 10.568 -16.290 -0.158 2 HA2 GLY 1 1HA GLY 1 11.729 -18.810 -0.748 3 HA3 GLY 1 2HA GLY 1 12.763 -17.915 0.355 4 H SER 2 H SER 2 9.287 -18.628 -0.019 5 HA SER 2 HA SER 2 7.679 -18.875 1.622 6 HB2 SER 2 1HB SER 2 8.108 -20.956 2.953 7 HB3 SER 2 2HB SER 2 8.375 -21.152 1.220 8 HG SER 2 HG SER 2 10.557 -20.388 2.773 9 H SER 3 H SER 3 9.292 -16.728 2.314 10 HA SER 3 HA SER 3 10.224 -16.996 5.018 11 HB2 SER 3 1HB SER 3 10.493 -14.502 4.874 12 HB3 SER 3 2HB SER 3 11.331 -15.391 3.604 13 HG SER 3 HG SER 3 9.713 -13.441 3.221 14 H GLY 4 H GLY 4 7.521 -15.244 3.485 15 HA2 GLY 4 1HA GLY 4 5.578 -15.916 5.338 16 HA3 GLY 4 2HA GLY 4 6.347 -14.461 5.958 17 H SER 5 H SER 5 3.599 -14.929 4.971 18 HA SER 5 HA SER 5 3.552 -13.164 2.625 19 HB2 SER 5 1HB SER 5 1.642 -15.182 3.742 20 HB3 SER 5 2HB SER 5 1.017 -13.867 2.747 21 HG SER 5 HG SER 5 2.908 -14.630 1.310 22 H SER 6 H SER 6 4.222 -11.934 4.997 23 HA SER 6 HA SER 6 1.764 -10.586 5.875 24 HB2 SER 6 1HB SER 6 3.163 -9.733 7.750 25 HB3 SER 6 2HB SER 6 3.089 -11.494 7.697 26 HG SER 6 HG SER 6 5.168 -11.507 7.481 27 H GLY 7 H GLY 7 1.340 -8.948 4.509 28 HA2 GLY 7 1HA GLY 7 2.957 -6.629 4.534 29 HA3 GLY 7 2HA GLY 7 3.186 -7.484 3.017 30 H ARG 8 H ARG 8 1.790 -4.887 3.977 31 HA ARG 8 HA ARG 8 -0.824 -5.379 2.723 32 HB2 ARG 8 1HB ARG 8 -0.438 -4.239 5.083 33 HB3 ARG 8 2HB ARG 8 -0.179 -2.809 4.094 34 HG2 ARG 8 1HG ARG 8 -2.373 -2.957 3.173 35 HG3 ARG 8 2HG ARG 8 -2.636 -4.535 3.920 36 HD2 ARG 8 1HD ARG 8 -2.133 -3.209 6.132 37 HD3 ARG 8 2HD ARG 8 -2.615 -1.823 5.156 38 HE ARG 8 HE ARG 8 -4.783 -2.546 5.257 39 HH11 ARG 8 1HH1 ARG 8 -2.667 -5.134 6.231 40 HH12 ARG 8 2HH1 ARG 8 -3.956 -6.168 6.752 41 HH21 ARG 8 1HH2 ARG 8 -6.490 -3.898 5.939 42 HH22 ARG 8 2HH2 ARG 8 -6.130 -5.464 6.584 43 H ARG 9 H ARG 9 -1.478 -4.248 0.941 44 HA ARG 9 HA ARG 9 0.401 -2.296 -0.196 45 HB2 ARG 9 1HB ARG 9 -0.953 -4.521 -1.733 46 HB3 ARG 9 2HB ARG 9 0.063 -3.264 -2.426 47 HG2 ARG 9 1HG ARG 9 1.829 -4.195 -0.725 48 HG3 ARG 9 2HG ARG 9 0.820 -5.640 -0.807 49 HD2 ARG 9 1HD ARG 9 1.666 -4.307 -3.337 50 HD3 ARG 9 2HD ARG 9 2.827 -5.305 -2.463 51 HE ARG 9 HE ARG 9 0.545 -6.205 -3.957 52 HH11 ARG 9 1HH1 ARG 9 2.756 -6.967 -1.378 53 HH12 ARG 9 2HH1 ARG 9 2.522 -8.680 -1.507 54 HH21 ARG 9 1HH2 ARG 9 0.228 -8.457 -4.137 55 HH22 ARG 9 2HH2 ARG 9 1.084 -9.526 -3.078 56 H ALA 10 H ALA 10 -0.521 -0.509 -1.024 57 HA ALA 10 HA ALA 10 -3.458 -0.486 -1.279 58 HB1 ALA 10 3HB ALA 10 -1.956 2.011 -0.660 59 HB2 ALA 10 1HB ALA 10 -3.611 1.560 -0.251 60 HB3 ALA 10 2HB ALA 10 -2.259 0.850 0.633 61 H LYS 11 H LYS 11 -4.256 0.091 -3.194 62 HA LYS 11 HA LYS 11 -2.432 0.846 -5.313 63 HB2 LYS 11 1HB LYS 11 -4.106 -0.816 -5.823 64 HB3 LYS 11 2HB LYS 11 -5.395 0.257 -5.297 65 HG2 LYS 11 1HG LYS 11 -3.621 1.172 -7.496 66 HG3 LYS 11 2HG LYS 11 -4.820 -0.075 -7.845 67 HD2 LYS 11 1HD LYS 11 -5.641 2.393 -6.373 68 HD3 LYS 11 2HD LYS 11 -5.428 2.452 -8.124 69 HE2 LYS 11 1HE LYS 11 -6.958 0.422 -8.217 70 HE3 LYS 11 2HE LYS 11 -7.333 0.756 -6.528 71 HZ1 LYS 11 3HZ LYS 11 -7.569 3.122 -8.046 72 HZ2 LYS 11 1HZ LYS 11 -8.757 2.311 -7.157 73 HZ3 LYS 11 2HZ LYS 11 -8.485 1.902 -8.775 74 H ALA 12 H ALA 12 -2.235 2.807 -6.231 75 HA ALA 12 HA ALA 12 -3.306 5.085 -4.892 76 HB1 ALA 12 3HB ALA 12 -1.366 5.795 -5.749 77 HB2 ALA 12 1HB ALA 12 -1.369 4.568 -7.016 78 HB3 ALA 12 2HB ALA 12 -2.281 6.062 -7.233 79 H LEU 13 H LEU 13 -5.150 6.131 -5.252 80 HA LEU 13 HA LEU 13 -6.900 5.265 -7.380 81 HB2 LEU 13 1HB LEU 13 -7.298 7.417 -5.307 82 HB3 LEU 13 2HB LEU 13 -8.542 6.738 -6.354 83 HG LEU 13 HG LEU 13 -7.045 5.172 -4.255 84 HD11 LEU 13 1HD1 LEU 13 -9.708 6.568 -4.164 85 HD12 LEU 13 2HD1 LEU 13 -8.329 6.777 -3.084 86 HD13 LEU 13 3HD1 LEU 13 -9.255 5.276 -3.052 87 HD21 LEU 13 3HD2 LEU 13 -9.352 4.555 -6.079 88 HD22 LEU 13 1HD2 LEU 13 -9.040 3.638 -4.606 89 HD23 LEU 13 2HD2 LEU 13 -7.832 3.679 -5.892 90 H LEU 14 H LEU 14 -4.820 7.964 -6.692 91 HA LEU 14 HA LEU 14 -5.253 8.976 -9.379 92 HB2 LEU 14 1HB LEU 14 -5.457 11.323 -8.496 93 HB3 LEU 14 2HB LEU 14 -6.868 10.287 -8.277 94 HG LEU 14 HG LEU 14 -4.909 10.561 -6.043 95 HD11 LEU 14 1HD1 LEU 14 -7.159 12.507 -6.300 96 HD12 LEU 14 2HD1 LEU 14 -5.605 12.851 -7.060 97 HD13 LEU 14 3HD1 LEU 14 -5.698 12.601 -5.317 98 HD21 LEU 14 3HD2 LEU 14 -6.561 9.687 -4.793 99 HD22 LEU 14 1HD2 LEU 14 -7.187 9.131 -6.345 100 HD23 LEU 14 2HD2 LEU 14 -7.818 10.610 -5.618 101 H ASP 15 H ASP 15 -3.776 11.127 -9.526 102 HA ASP 15 HA ASP 15 -1.111 10.175 -8.916 103 HB2 ASP 15 1HB ASP 15 -0.352 11.642 -10.526 104 HB3 ASP 15 2HB ASP 15 -1.997 11.367 -11.094 105 H PHE 16 H PHE 16 -0.070 10.677 -7.117 106 HA PHE 16 HA PHE 16 -0.764 13.190 -5.744 107 HB2 PHE 16 1HB PHE 16 -1.420 11.182 -4.470 108 HB3 PHE 16 2HB PHE 16 0.245 10.614 -4.520 109 HD1 PHE 16 1HD PHE 16 -1.818 13.493 -3.383 110 HD2 PHE 16 2HD PHE 16 1.698 11.163 -2.806 111 HE1 PHE 16 1HE PHE 16 -1.339 14.731 -1.312 112 HE2 PHE 16 2HE PHE 16 2.181 12.396 -0.734 113 HZ PHE 16 HZ PHE 16 0.661 14.182 0.017 114 H GLU 17 H GLU 17 0.779 14.601 -6.324 115 HA GLU 17 HA GLU 17 3.542 13.753 -6.594 116 HB2 GLU 17 1HB GLU 17 2.996 15.277 -8.262 117 HB3 GLU 17 2HB GLU 17 2.030 16.269 -7.180 118 HG2 GLU 17 1HG GLU 17 3.830 17.416 -6.392 119 HG3 GLU 17 2HG GLU 17 4.940 16.073 -6.649 120 H ARG 18 H ARG 18 4.757 13.579 -4.838 121 HA ARG 18 HA ARG 18 4.133 14.861 -2.372 122 HB2 ARG 18 1HB ARG 18 5.945 13.690 -1.462 123 HB3 ARG 18 2HB ARG 18 5.367 12.635 -2.746 124 HG2 ARG 18 1HG ARG 18 7.620 14.575 -3.161 125 HG3 ARG 18 2HG ARG 18 7.874 12.941 -2.543 126 HD2 ARG 18 1HD ARG 18 8.152 12.539 -4.768 127 HD3 ARG 18 2HD ARG 18 6.407 12.310 -4.652 128 HE ARG 18 HE ARG 18 6.653 14.943 -5.230 129 HH11 ARG 18 1HH1 ARG 18 7.908 12.039 -6.683 130 HH12 ARG 18 2HH1 ARG 18 7.947 12.701 -8.284 131 HH21 ARG 18 1HH2 ARG 18 6.700 15.826 -7.333 132 HH22 ARG 18 2HH2 ARG 18 7.260 14.855 -8.652 133 H HIS 19 H HIS 19 5.525 16.330 -1.198 134 HA HIS 19 HA HIS 19 6.910 18.207 -2.998 135 HB2 HIS 19 1HB HIS 19 4.862 19.080 -1.866 136 HB3 HIS 19 2HB HIS 19 5.653 18.813 -0.316 137 HD1 HIS 19 1HD HIS 19 6.089 21.122 0.499 138 HD2 HIS 19 2HD HIS 19 7.233 20.615 -3.462 139 HE1 HIS 19 1HE HIS 19 7.249 23.260 -0.145 140 HE2 HIS 19 2HE HIS 19 7.858 22.961 -2.570 141 H ASP 20 H ASP 20 6.959 16.986 0.348 142 HA ASP 20 HA ASP 20 9.804 17.660 0.516 143 HB2 ASP 20 1HB ASP 20 7.642 17.182 2.515 144 HB3 ASP 20 2HB ASP 20 9.301 16.820 2.985 145 H ASP 21 H ASP 21 11.381 16.145 0.979 146 HA ASP 21 HA ASP 21 11.332 13.702 -0.194 147 HB2 ASP 21 1HB ASP 21 13.283 13.120 1.056 148 HB3 ASP 21 2HB ASP 21 13.331 14.865 0.820 149 H ASP 22 H ASP 22 10.259 14.470 3.072 150 HA ASP 22 HA ASP 22 9.886 11.870 4.030 151 HB2 ASP 22 1HB ASP 22 7.992 13.089 5.403 152 HB3 ASP 22 2HB ASP 22 9.691 13.441 5.704 153 H GLU 23 H GLU 23 7.724 13.977 2.183 154 HA GLU 23 HA GLU 23 5.513 12.183 2.243 155 HB2 GLU 23 1HB GLU 23 6.149 14.510 0.424 156 HB3 GLU 23 2HB GLU 23 4.625 13.634 0.404 157 HG2 GLU 23 1HG GLU 23 4.575 14.232 2.940 158 HG3 GLU 23 2HG GLU 23 5.721 15.484 2.466 159 H LEU 24 H LEU 24 4.875 10.642 0.810 160 HA LEU 24 HA LEU 24 6.813 9.932 -1.287 161 HB2 LEU 24 1HB LEU 24 6.486 8.272 0.503 162 HB3 LEU 24 2HB LEU 24 4.774 8.188 0.091 163 HG LEU 24 HG LEU 24 5.471 7.368 -2.184 164 HD11 LEU 24 1HD1 LEU 24 7.711 8.069 -2.363 165 HD12 LEU 24 2HD1 LEU 24 7.775 6.313 -2.205 166 HD13 LEU 24 3HD1 LEU 24 8.147 7.337 -0.818 167 HD21 LEU 24 3HD2 LEU 24 6.571 5.248 -0.632 168 HD22 LEU 24 1HD2 LEU 24 4.956 5.390 -1.328 169 HD23 LEU 24 2HD2 LEU 24 5.277 6.015 0.290 170 H GLY 25 H GLY 25 6.203 10.429 -3.281 171 HA2 GLY 25 1HA GLY 25 3.372 10.818 -3.877 172 HA3 GLY 25 2HA GLY 25 4.724 11.262 -4.908 173 H PHE 26 H PHE 26 2.445 9.969 -5.870 174 HA PHE 26 HA PHE 26 3.665 7.683 -7.113 175 HB2 PHE 26 1HB PHE 26 1.540 6.274 -6.457 176 HB3 PHE 26 2HB PHE 26 2.931 6.343 -5.380 177 HD1 PHE 26 1HD PHE 26 -0.485 7.579 -5.952 178 HD2 PHE 26 2HD PHE 26 2.792 7.379 -3.243 179 HE1 PHE 26 1HE PHE 26 -1.934 8.406 -4.142 180 HE2 PHE 26 2HE PHE 26 1.349 8.203 -1.430 181 HZ PHE 26 HZ PHE 26 -1.018 8.717 -1.878 182 H ARG 27 H ARG 27 2.380 6.832 -8.880 183 HA ARG 27 HA ARG 27 0.723 8.916 -10.061 184 HB2 ARG 27 1HB ARG 27 2.154 6.505 -11.107 185 HB3 ARG 27 2HB ARG 27 0.836 7.198 -12.042 186 HG2 ARG 27 1HG ARG 27 2.987 8.051 -12.782 187 HG3 ARG 27 2HG ARG 27 1.993 9.341 -12.103 188 HD2 ARG 27 1HD ARG 27 3.241 9.347 -10.079 189 HD3 ARG 27 2HD ARG 27 4.080 7.859 -10.519 190 HE ARG 27 HE ARG 27 5.529 9.088 -11.807 191 HH11 ARG 27 1HH1 ARG 27 2.805 11.064 -10.911 192 HH12 ARG 27 2HH1 ARG 27 3.511 12.533 -11.495 193 HH21 ARG 27 1HH2 ARG 27 6.470 11.018 -12.580 194 HH22 ARG 27 2HH2 ARG 27 5.596 12.505 -12.446 195 H LYS 28 H LYS 28 -1.157 8.052 -11.460 196 HA LYS 28 HA LYS 28 -3.074 6.917 -9.715 197 HB2 LYS 28 1HB LYS 28 -3.534 8.513 -11.615 198 HB3 LYS 28 2HB LYS 28 -3.292 7.163 -12.718 199 HG2 LYS 28 1HG LYS 28 -5.182 6.009 -11.843 200 HG3 LYS 28 2HG LYS 28 -5.344 7.165 -10.517 201 HD2 LYS 28 1HD LYS 28 -6.056 8.882 -11.976 202 HD3 LYS 28 2HD LYS 28 -5.553 7.981 -13.406 203 HE2 LYS 28 1HE LYS 28 -7.677 6.956 -11.546 204 HE3 LYS 28 2HE LYS 28 -8.052 8.058 -12.871 205 HZ1 LYS 28 3HZ LYS 28 -6.619 5.494 -13.268 206 HZ2 LYS 28 1HZ LYS 28 -7.315 6.486 -14.449 207 HZ3 LYS 28 2HZ LYS 28 -8.301 5.630 -13.372 208 H ASN 29 H ASN 29 -3.920 4.888 -9.571 209 HA ASN 29 HA ASN 29 -4.040 2.622 -9.727 210 HB2 ASN 29 1HB ASN 29 -3.220 3.287 -12.555 211 HB3 ASN 29 2HB ASN 29 -3.551 1.638 -12.032 212 HD21 ASN 29 1HD2 ASN 29 -4.918 3.347 -13.987 213 HD22 ASN 29 2HD2 ASN 29 -6.568 3.410 -13.479 214 H ASP 30 H ASP 30 -1.604 3.885 -8.783 215 HA ASP 30 HA ASP 30 0.452 1.969 -9.631 216 HB2 ASP 30 1HB ASP 30 0.600 4.620 -8.204 217 HB3 ASP 30 2HB ASP 30 1.972 3.518 -8.277 218 H ILE 31 H ILE 31 1.212 0.434 -8.296 219 HA ILE 31 HA ILE 31 -0.106 0.113 -5.721 220 HB ILE 31 HB ILE 31 1.791 -1.742 -7.166 221 HG12 ILE 31 1HG1 ILE 31 -0.269 -1.479 -8.415 222 HG13 ILE 31 2HG1 ILE 31 -0.272 -3.055 -7.630 223 HG21 ILE 31 1HG2 ILE 31 1.972 -2.614 -5.097 224 HG22 ILE 31 2HG2 ILE 31 0.505 -1.823 -4.522 225 HG23 ILE 31 3HG2 ILE 31 0.395 -3.307 -5.467 226 HD11 ILE 31 3HD1 ILE 31 -2.303 -2.526 -6.915 227 HD12 ILE 31 1HD1 ILE 31 -1.508 -1.428 -5.789 228 HD13 ILE 31 2HD1 ILE 31 -2.099 -0.827 -7.338 229 H ILE 32 H ILE 32 0.831 0.426 -3.797 230 HA ILE 32 HA ILE 32 3.750 0.806 -3.709 231 HB ILE 32 HB ILE 32 1.702 2.439 -2.207 232 HG12 ILE 32 1HG1 ILE 32 3.692 3.565 -4.138 233 HG13 ILE 32 2HG1 ILE 32 2.226 2.818 -4.761 234 HG21 ILE 32 1HG2 ILE 32 4.679 2.847 -2.258 235 HG22 ILE 32 2HG2 ILE 32 3.490 3.613 -1.207 236 HG23 ILE 32 3HG2 ILE 32 3.866 1.900 -1.013 237 HD11 ILE 32 3HD1 ILE 32 2.607 5.420 -3.625 238 HD12 ILE 32 1HD1 ILE 32 1.207 4.755 -4.466 239 HD13 ILE 32 2HD1 ILE 32 1.381 4.527 -2.725 240 H THR 33 H THR 33 4.778 -0.339 -2.198 241 HA THR 33 HA THR 33 3.327 -2.174 -0.555 242 HB THR 33 HB THR 33 6.277 -1.516 -0.660 243 HG1 THR 33 1HG THR 33 4.587 -3.317 -1.970 244 HG21 THR 33 3HG2 THR 33 6.571 -2.732 1.180 245 HG22 THR 33 1HG2 THR 33 5.765 -4.101 0.414 246 HG23 THR 33 2HG2 THR 33 4.825 -2.927 1.336 247 H ILE 34 H ILE 34 2.824 -2.065 1.560 248 HA ILE 34 HA ILE 34 3.340 0.459 2.932 249 HB ILE 34 HB ILE 34 1.513 -1.827 3.679 250 HG12 ILE 34 1HG1 ILE 34 0.926 0.910 2.529 251 HG13 ILE 34 2HG1 ILE 34 0.775 -0.623 1.677 252 HG21 ILE 34 1HG2 ILE 34 0.669 0.384 5.061 253 HG22 ILE 34 2HG2 ILE 34 1.627 -0.937 5.726 254 HG23 ILE 34 3HG2 ILE 34 2.425 0.525 5.144 255 HD11 ILE 34 3HD1 ILE 34 -0.768 -0.896 3.986 256 HD12 ILE 34 1HD1 ILE 34 -1.110 0.718 3.368 257 HD13 ILE 34 2HD1 ILE 34 -1.333 -0.690 2.329 258 H ILE 35 H ILE 35 5.074 0.590 4.183 259 HA ILE 35 HA ILE 35 6.301 -1.795 5.282 260 HB ILE 35 HB ILE 35 7.163 1.073 5.660 261 HG12 ILE 35 1HG1 ILE 35 7.005 0.398 3.253 262 HG13 ILE 35 2HG1 ILE 35 8.638 0.793 3.776 263 HG21 ILE 35 1HG2 ILE 35 8.183 -1.515 6.528 264 HG22 ILE 35 2HG2 ILE 35 9.388 -0.536 5.690 265 HG23 ILE 35 3HG2 ILE 35 8.562 0.107 7.110 266 HD11 ILE 35 3HD1 ILE 35 8.154 -2.004 4.138 267 HD12 ILE 35 1HD1 ILE 35 7.759 -1.528 2.488 268 HD13 ILE 35 2HD1 ILE 35 9.363 -1.195 3.142 269 H SER 36 H SER 36 5.302 1.343 6.660 270 HA SER 36 HA SER 36 4.331 -0.072 9.034 271 HB2 SER 36 1HB SER 36 6.755 0.983 9.208 272 HB3 SER 36 2HB SER 36 5.844 2.471 9.459 273 HG SER 36 HG SER 36 6.434 0.984 11.342 274 H GLN 37 H GLN 37 2.648 0.940 10.121 275 HA GLN 37 HA GLN 37 1.335 3.067 8.598 276 HB2 GLN 37 1HB GLN 37 0.336 1.055 10.603 277 HB3 GLN 37 2HB GLN 37 -0.639 2.433 10.107 278 HG2 GLN 37 1HG GLN 37 -0.740 1.677 7.871 279 HG3 GLN 37 2HG GLN 37 0.510 0.465 8.152 280 HE21 GLN 37 1HE2 GLN 37 -2.112 0.044 7.079 281 HE22 GLN 37 2HE2 GLN 37 -2.931 -1.036 8.150 282 H LYS 38 H LYS 38 2.793 4.693 9.456 283 HA LYS 38 HA LYS 38 3.309 5.348 12.045 284 HB2 LYS 38 1HB LYS 38 3.921 6.557 9.812 285 HB3 LYS 38 2HB LYS 38 2.489 7.521 10.148 286 HG2 LYS 38 1HG LYS 38 3.560 7.903 12.461 287 HG3 LYS 38 2HG LYS 38 5.047 7.348 11.687 288 HD2 LYS 38 1HD LYS 38 5.091 9.149 10.208 289 HD3 LYS 38 2HD LYS 38 3.377 9.503 10.439 290 HE2 LYS 38 1HE LYS 38 3.875 10.199 12.759 291 HE3 LYS 38 2HE LYS 38 5.589 9.927 12.446 292 HZ1 LYS 38 3HZ LYS 38 3.846 11.894 11.065 293 HZ2 LYS 38 1HZ LYS 38 5.469 11.602 10.683 294 HZ3 LYS 38 2HZ LYS 38 5.056 12.246 12.192 295 H ASP 39 H ASP 39 0.619 6.859 10.253 296 HA ASP 39 HA ASP 39 -0.855 7.009 12.801 297 HB2 ASP 39 1HB ASP 39 -0.098 9.194 11.708 298 HB3 ASP 39 2HB ASP 39 -1.285 8.850 10.454 299 H GLU 40 H GLU 40 -3.325 7.394 12.258 300 HA GLU 40 HA GLU 40 -4.236 4.983 11.065 301 HB2 GLU 40 1HB GLU 40 -5.569 7.402 12.223 302 HB3 GLU 40 2HB GLU 40 -6.525 6.232 11.324 303 HG2 GLU 40 1HG GLU 40 -6.139 4.539 12.869 304 HG3 GLU 40 2HG GLU 40 -4.746 5.367 13.566 305 H HIS 41 H HIS 41 -4.270 8.370 10.039 306 HA HIS 41 HA HIS 41 -5.465 7.634 7.483 307 HB2 HIS 41 1HB HIS 41 -4.884 10.239 8.856 308 HB3 HIS 41 2HB HIS 41 -5.201 10.201 7.124 309 HD1 HIS 41 1HD HIS 41 -7.464 11.300 7.114 310 HD2 HIS 41 2HD HIS 41 -7.247 8.090 9.744 311 HE1 HIS 41 1HE HIS 41 -9.825 10.901 7.886 312 HE2 HIS 41 2HE HIS 41 -9.656 9.010 9.541 313 H CYS 42 H CYS 42 -2.442 8.849 8.817 314 HA CYS 42 HA CYS 42 -1.229 8.906 6.160 315 HB2 CYS 42 1HB CYS 42 -0.169 9.736 8.868 316 HB3 CYS 42 2HB CYS 42 0.746 9.849 7.369 317 HG CYS 42 HG CYS 42 -1.404 11.535 6.255 318 H TRP 43 H TRP 43 -0.196 7.202 5.382 319 HA TRP 43 HA TRP 43 0.920 5.246 7.283 320 HB2 TRP 43 1HB TRP 43 -0.321 4.775 4.567 321 HB3 TRP 43 2HB TRP 43 0.539 3.542 5.485 322 HD1 TRP 43 HD TRP 43 -0.944 4.853 8.277 323 HE1 TRP 43 1HE TRP 43 -3.305 3.958 8.773 324 HE3 TRP 43 3HE TRP 43 -2.086 2.982 3.660 325 HZ2 TRP 43 2HZ TRP 43 -5.379 2.635 7.389 326 HZ3 TRP 43 3HZ TRP 43 -4.279 1.917 3.330 327 HH2 TRP 43 HH TRP 43 -5.890 1.747 5.156 328 H VAL 44 H VAL 44 2.784 4.016 6.474 329 HA VAL 44 HA VAL 44 4.451 5.666 4.688 330 HB VAL 44 HB VAL 44 5.328 3.884 6.965 331 HG11 VAL 44 1HG1 VAL 44 6.811 4.080 4.857 332 HG12 VAL 44 2HG1 VAL 44 7.123 5.720 5.428 333 HG13 VAL 44 3HG1 VAL 44 7.541 4.338 6.440 334 HG21 VAL 44 3HG2 VAL 44 6.136 6.654 7.094 335 HG22 VAL 44 1HG2 VAL 44 4.380 6.500 7.009 336 HG23 VAL 44 2HG2 VAL 44 5.277 5.677 8.285 337 H GLY 45 H GLY 45 4.688 4.760 2.754 338 HA2 GLY 45 1HA GLY 45 4.825 1.814 2.602 339 HA3 GLY 45 2HA GLY 45 4.189 2.837 1.324 340 H GLU 46 H GLU 46 5.730 1.578 0.008 341 HA GLU 46 HA GLU 46 8.281 2.989 -0.116 342 HB2 GLU 46 1HB GLU 46 8.482 0.776 1.189 343 HB3 GLU 46 2HB GLU 46 8.235 -0.009 -0.365 344 HG2 GLU 46 1HG GLU 46 10.214 1.002 -1.261 345 HG3 GLU 46 2HG GLU 46 10.424 1.977 0.194 346 H LEU 47 H LEU 47 8.621 3.663 -2.122 347 HA LEU 47 HA LEU 47 7.972 1.990 -4.392 348 HB2 LEU 47 1HB LEU 47 5.883 3.283 -3.802 349 HB3 LEU 47 2HB LEU 47 6.770 4.744 -4.228 350 HG LEU 47 HG LEU 47 7.117 3.402 -6.500 351 HD11 LEU 47 1HD1 LEU 47 4.505 2.516 -6.634 352 HD12 LEU 47 2HD1 LEU 47 5.073 1.918 -5.076 353 HD13 LEU 47 3HD1 LEU 47 5.949 1.508 -6.550 354 HD21 LEU 47 3HD2 LEU 47 6.024 5.642 -6.061 355 HD22 LEU 47 1HD2 LEU 47 4.498 4.765 -5.930 356 HD23 LEU 47 2HD2 LEU 47 5.408 4.731 -7.440 357 H ASN 48 H ASN 48 9.009 2.635 -6.314 358 HA ASN 48 HA ASN 48 10.793 3.419 -7.493 359 HB2 ASN 48 1HB ASN 48 9.606 5.839 -6.214 360 HB3 ASN 48 2HB ASN 48 11.160 6.012 -7.027 361 HD21 ASN 48 1HD2 ASN 48 7.795 5.166 -7.427 362 HD22 ASN 48 2HD2 ASN 48 7.743 5.384 -9.141 363 H GLY 49 H GLY 49 11.276 2.315 -4.801 364 HA2 GLY 49 1HA GLY 49 13.150 1.906 -3.529 365 HA3 GLY 49 2HA GLY 49 14.047 2.953 -4.617 366 H LEU 50 H LEU 50 11.200 4.062 -2.934 367 HA LEU 50 HA LEU 50 12.910 5.617 -1.112 368 HB2 LEU 50 1HB LEU 50 10.360 6.686 -2.279 369 HB3 LEU 50 2HB LEU 50 11.640 7.566 -1.447 370 HG LEU 50 HG LEU 50 11.935 6.313 -4.174 371 HD11 LEU 50 1HD1 LEU 50 11.176 9.091 -3.330 372 HD12 LEU 50 2HD1 LEU 50 10.365 8.027 -4.480 373 HD13 LEU 50 3HD1 LEU 50 11.919 8.753 -4.894 374 HD21 LEU 50 3HD2 LEU 50 13.925 6.862 -2.511 375 HD22 LEU 50 1HD2 LEU 50 13.671 8.488 -3.143 376 HD23 LEU 50 2HD2 LEU 50 14.046 7.163 -4.245 377 H ARG 51 H ARG 51 11.762 6.422 0.818 378 HA ARG 51 HA ARG 51 9.386 4.872 1.544 379 HB2 ARG 51 1HB ARG 51 12.070 4.715 2.817 380 HB3 ARG 51 2HB ARG 51 10.670 4.697 3.880 381 HG2 ARG 51 1HG ARG 51 9.839 2.847 2.200 382 HG3 ARG 51 2HG ARG 51 11.570 2.687 1.888 383 HD2 ARG 51 1HD ARG 51 11.851 2.528 4.409 384 HD3 ARG 51 2HD ARG 51 10.101 2.328 4.486 385 HE ARG 51 HE ARG 51 10.986 0.465 2.666 386 HH11 ARG 51 1HH1 ARG 51 11.561 1.188 6.023 387 HH12 ARG 51 2HH1 ARG 51 11.891 -0.457 6.455 388 HH21 ARG 51 1HH2 ARG 51 11.418 -1.705 3.223 389 HH22 ARG 51 2HH2 ARG 51 11.810 -2.101 4.862 390 H GLY 52 H GLY 52 7.924 6.374 2.030 391 HA2 GLY 52 1HA GLY 52 8.602 8.392 4.028 392 HA3 GLY 52 2HA GLY 52 8.053 8.983 2.467 393 H TRP 53 H TRP 53 6.386 9.959 3.923 394 HA TRP 53 HA TRP 53 4.275 8.045 4.631 395 HB2 TRP 53 1HB TRP 53 3.396 9.698 6.113 396 HB3 TRP 53 2HB TRP 53 5.137 9.660 6.371 397 HD1 TRP 53 HD TRP 53 6.534 11.703 5.038 398 HE1 TRP 53 1HE TRP 53 5.836 14.163 4.736 399 HE3 TRP 53 3HE TRP 53 1.516 11.233 5.891 400 HZ2 TRP 53 2HZ TRP 53 3.471 15.700 4.846 401 HZ3 TRP 53 3HZ TRP 53 0.105 13.245 5.775 402 HH2 TRP 53 HH TRP 53 1.065 15.432 5.264 403 H PHE 54 H PHE 54 2.041 8.649 4.162 404 HA PHE 54 HA PHE 54 1.452 10.691 2.261 405 HB2 PHE 54 1HB PHE 54 0.861 9.284 0.366 406 HB3 PHE 54 2HB PHE 54 2.557 9.042 0.777 407 HD1 PHE 54 1HD PHE 54 -0.827 7.586 1.220 408 HD2 PHE 54 2HD PHE 54 3.376 6.908 1.216 409 HE1 PHE 54 1HE PHE 54 -1.220 5.162 1.383 410 HE2 PHE 54 2HE PHE 54 2.990 4.483 1.378 411 HZ PHE 54 HZ PHE 54 0.689 3.607 1.461 412 HA PRO 55 HA PRO 55 -2.565 10.101 3.932 413 HB2 PRO 55 1HB PRO 55 -4.103 11.081 1.921 414 HB3 PRO 55 2HB PRO 55 -3.122 12.112 2.968 415 HG2 PRO 55 1HG PRO 55 -2.530 11.104 0.212 416 HG3 PRO 55 2HG PRO 55 -2.275 12.722 0.892 417 HD2 PRO 55 1HD PRO 55 -0.273 10.918 0.632 418 HD3 PRO 55 2HD PRO 55 -0.323 12.106 1.950 419 H ALA 56 H ALA 56 -3.374 8.110 4.169 420 HA ALA 56 HA ALA 56 -3.466 6.124 2.198 421 HB1 ALA 56 3HB ALA 56 -4.703 4.819 3.749 422 HB2 ALA 56 1HB ALA 56 -3.562 5.787 4.685 423 HB3 ALA 56 2HB ALA 56 -5.262 6.253 4.609 424 H LYS 57 H LYS 57 -5.833 8.532 3.183 425 HA LYS 57 HA LYS 57 -8.120 7.567 1.977 426 HB2 LYS 57 1HB LYS 57 -8.939 9.818 1.973 427 HB3 LYS 57 2HB LYS 57 -7.941 9.617 3.408 428 HG2 LYS 57 1HG LYS 57 -6.054 10.640 2.045 429 HG3 LYS 57 2HG LYS 57 -7.297 11.100 0.881 430 HD2 LYS 57 1HD LYS 57 -7.748 11.770 3.742 431 HD3 LYS 57 2HD LYS 57 -6.555 12.714 2.848 432 HE2 LYS 57 1HE LYS 57 -8.531 13.908 2.550 433 HE3 LYS 57 2HE LYS 57 -8.397 12.962 1.069 434 HZ1 LYS 57 3HZ LYS 57 -10.454 12.941 3.009 435 HZ2 LYS 57 1HZ LYS 57 -9.785 11.392 2.872 436 HZ3 LYS 57 2HZ LYS 57 -10.403 12.170 1.505 437 H PHE 58 H PHE 58 -5.263 8.861 0.515 438 HA PHE 58 HA PHE 58 -6.456 9.418 -2.035 439 HB2 PHE 58 1HB PHE 58 -3.670 9.380 -0.944 440 HB3 PHE 58 2HB PHE 58 -3.902 9.362 -2.690 441 HD1 PHE 58 2HD PHE 58 -5.235 11.200 0.275 442 HD2 PHE 58 1HD PHE 58 -3.849 11.390 -3.744 443 HE1 PHE 58 2HE PHE 58 -5.526 13.643 0.294 444 HE2 PHE 58 1HE PHE 58 -4.135 13.834 -3.732 445 HZ PHE 58 HZ PHE 58 -4.977 14.963 -1.711 446 H VAL 59 H VAL 59 -5.002 6.670 -0.490 447 HA VAL 59 HA VAL 59 -5.181 5.160 -3.015 448 HB VAL 59 HB VAL 59 -3.507 3.666 -2.236 449 HG11 VAL 59 1HG1 VAL 59 -2.853 6.554 -1.754 450 HG12 VAL 59 2HG1 VAL 59 -1.626 5.295 -1.604 451 HG13 VAL 59 3HG1 VAL 59 -2.454 5.544 -3.143 452 HG21 VAL 59 3HG2 VAL 59 -3.657 5.090 0.421 453 HG22 VAL 59 1HG2 VAL 59 -4.241 3.463 0.075 454 HG23 VAL 59 2HG2 VAL 59 -2.514 3.814 0.004 455 H GLU 60 H GLU 60 -5.612 2.762 -2.632 456 HA GLU 60 HA GLU 60 -7.649 2.445 -0.526 457 HB2 GLU 60 1HB GLU 60 -8.619 2.647 -2.814 458 HB3 GLU 60 2HB GLU 60 -7.717 1.213 -3.284 459 HG2 GLU 60 1HG GLU 60 -9.030 -0.195 -2.027 460 HG3 GLU 60 2HG GLU 60 -9.555 1.091 -0.942 461 H VAL 61 H VAL 61 -7.404 0.758 0.794 462 HA VAL 61 HA VAL 61 -5.084 -0.852 0.702 463 HB VAL 61 HB VAL 61 -7.606 -1.309 2.303 464 HG11 VAL 61 1HG1 VAL 61 -6.049 -2.511 3.841 465 HG12 VAL 61 2HG1 VAL 61 -6.284 -3.302 2.280 466 HG13 VAL 61 3HG1 VAL 61 -4.808 -2.388 2.595 467 HG21 VAL 61 3HG2 VAL 61 -5.093 0.020 3.270 468 HG22 VAL 61 1HG2 VAL 61 -6.412 0.936 2.542 469 HG23 VAL 61 2HG2 VAL 61 -6.691 0.009 4.017 470 H LEU 62 H LEU 62 -4.840 -3.068 0.314 471 HA LEU 62 HA LEU 62 -7.049 -4.384 -1.112 472 HB2 LEU 62 1HB LEU 62 -4.265 -4.899 -2.002 473 HB3 LEU 62 2HB LEU 62 -5.772 -4.962 -2.915 474 HG LEU 62 HG LEU 62 -4.742 -2.312 -2.010 475 HD11 LEU 62 1HD1 LEU 62 -3.748 -3.730 -4.476 476 HD12 LEU 62 2HD1 LEU 62 -2.806 -3.500 -3.002 477 HD13 LEU 62 3HD1 LEU 62 -3.329 -2.101 -3.940 478 HD21 LEU 62 3HD2 LEU 62 -6.680 -3.393 -3.910 479 HD22 LEU 62 1HD2 LEU 62 -5.653 -2.126 -4.583 480 HD23 LEU 62 2HD2 LEU 62 -6.609 -1.809 -3.134 481 H ASP 63 H ASP 63 -6.539 -6.793 -1.413 482 HA ASP 63 HA ASP 63 -4.920 -7.908 0.740 483 HB2 ASP 63 1HB ASP 63 -7.058 -7.655 1.828 484 HB3 ASP 63 2HB ASP 63 -7.890 -8.392 0.460 485 H GLU 64 H GLU 64 -3.810 -9.596 0.013 486 HA GLU 64 HA GLU 64 -4.969 -11.291 -2.076 487 HB2 GLU 64 1HB GLU 64 -2.355 -9.817 -2.226 488 HB3 GLU 64 2HB GLU 64 -2.599 -11.315 -3.113 489 HG2 GLU 64 1HG GLU 64 -4.492 -9.008 -3.374 490 HG3 GLU 64 2HG GLU 64 -3.019 -9.118 -4.335 491 H ARG 65 H ARG 65 -3.493 -13.261 -2.443 492 HA ARG 65 HA ARG 65 -2.755 -15.224 -1.549 493 HB2 ARG 65 1HB ARG 65 -1.054 -13.239 -0.039 494 HB3 ARG 65 2HB ARG 65 -0.790 -14.977 0.010 495 HG2 ARG 65 1HG ARG 65 -0.870 -13.525 -2.603 496 HG3 ARG 65 2HG ARG 65 0.595 -13.541 -1.619 497 HD2 ARG 65 1HD ARG 65 -0.843 -16.081 -2.308 498 HD3 ARG 65 2HD ARG 65 0.304 -15.350 -3.430 499 HE ARG 65 HE ARG 65 1.517 -15.558 -0.914 500 HH11 ARG 65 1HH1 ARG 65 0.377 -17.590 -3.501 501 HH12 ARG 65 2HH1 ARG 65 1.516 -18.856 -3.184 502 HH21 ARG 65 1HH2 ARG 65 3.022 -17.218 -0.486 503 HH22 ARG 65 2HH2 ARG 65 3.019 -18.644 -1.468 504 H SER 66 H SER 66 -5.146 -14.605 -0.484 505 HA SER 66 HA SER 66 -4.840 -15.333 2.356 506 HB2 SER 66 1HB SER 66 -5.798 -12.975 1.741 507 HB3 SER 66 2HB SER 66 -7.269 -13.874 1.364 508 HG SER 66 HG SER 66 -5.960 -13.546 3.831 509 H LYS 67 H LYS 67 -6.378 -16.781 3.217 510 HA LYS 67 HA LYS 67 -6.972 -19.040 1.939 511 HB2 LYS 67 1HB LYS 67 -7.488 -18.737 4.290 512 HB3 LYS 67 2HB LYS 67 -8.796 -17.630 3.893 513 HG2 LYS 67 1HG LYS 67 -10.016 -19.504 4.231 514 HG3 LYS 67 2HG LYS 67 -9.647 -19.736 2.520 515 HD2 LYS 67 1HD LYS 67 -8.015 -20.887 4.782 516 HD3 LYS 67 2HD LYS 67 -9.283 -21.766 3.925 517 HE2 LYS 67 1HE LYS 67 -7.503 -22.452 2.694 518 HE3 LYS 67 2HE LYS 67 -7.864 -20.963 1.822 519 HZ1 LYS 67 3HZ LYS 67 -5.639 -20.720 2.185 520 HZ2 LYS 67 1HZ LYS 67 -5.657 -21.553 3.658 521 HZ3 LYS 67 2HZ LYS 67 -6.229 -19.964 3.579 522 H GLU 68 H GLU 68 -7.891 -19.480 0.054 523 HA GLU 68 HA GLU 68 -10.380 -18.089 -0.657 524 HB2 GLU 68 1HB GLU 68 -9.683 -17.835 -2.943 525 HB3 GLU 68 2HB GLU 68 -8.453 -17.121 -1.908 526 HG2 GLU 68 1HG GLU 68 -7.214 -19.327 -2.115 527 HG3 GLU 68 2HG GLU 68 -8.341 -19.714 -3.412 528 H TYR 69 H TYR 69 -11.874 -19.292 -1.839 529 HA TYR 69 HA TYR 69 -11.311 -22.182 -1.941 530 HB2 TYR 69 1HB TYR 69 -13.781 -20.630 -1.258 531 HB3 TYR 69 2HB TYR 69 -13.936 -22.249 -1.931 532 HD1 TYR 69 2HD TYR 69 -11.557 -20.772 0.545 533 HD2 TYR 69 1HD TYR 69 -14.534 -23.709 -0.244 534 HE1 TYR 69 2HE TYR 69 -11.198 -21.730 2.782 535 HE2 TYR 69 1HE TYR 69 -14.184 -24.674 1.990 536 HH TYR 69 HH TYR 69 -11.815 -23.278 4.244 537 H SER 70 H SER 70 -12.333 -23.399 -3.659 538 HA SER 70 HA SER 70 -12.355 -21.881 -6.153 539 HB2 SER 70 1HB SER 70 -12.132 -24.826 -5.531 540 HB3 SER 70 2HB SER 70 -12.364 -24.226 -7.174 541 HG SER 70 HG SER 70 -10.328 -23.067 -5.669 542 H ILE 71 H ILE 71 -14.358 -20.948 -6.275 543 HA ILE 71 HA ILE 71 -16.605 -22.811 -6.608 544 HB ILE 71 HB ILE 71 -16.861 -20.139 -5.228 545 HG12 ILE 71 1HG1 ILE 71 -15.585 -22.043 -4.001 546 HG13 ILE 71 2HG1 ILE 71 -16.879 -21.205 -3.150 547 HG21 ILE 71 1HG2 ILE 71 -19.031 -21.733 -4.600 548 HG22 ILE 71 2HG2 ILE 71 -19.005 -20.404 -5.759 549 HG23 ILE 71 3HG2 ILE 71 -18.743 -22.059 -6.310 550 HD11 ILE 71 3HD1 ILE 71 -16.690 -23.819 -3.127 551 HD12 ILE 71 1HD1 ILE 71 -18.260 -23.017 -3.187 552 HD13 ILE 71 2HD1 ILE 71 -17.547 -23.672 -4.662 553 H ALA 72 H ALA 72 -18.060 -22.295 -8.208 554 HA ALA 72 HA ALA 72 -17.884 -19.743 -9.577 555 HB1 ALA 72 3HB ALA 72 -16.538 -20.416 -11.206 556 HB2 ALA 72 1HB ALA 72 -16.495 -22.054 -10.552 557 HB3 ALA 72 2HB ALA 72 -17.764 -21.589 -11.687 558 H SER 73 H SER 73 -19.733 -19.217 -10.685 559 HA SER 73 HA SER 73 -22.027 -19.222 -10.876 560 HB2 SER 73 1HB SER 73 -21.056 -21.659 -12.350 561 HB3 SER 73 2HB SER 73 -22.763 -21.217 -12.354 562 HG SER 73 HG SER 73 -20.560 -19.789 -13.388 563 H GLY 74 H GLY 74 -21.079 -20.404 -8.388 564 HA2 GLY 74 1HA GLY 74 -22.932 -22.619 -7.924 565 HA3 GLY 74 2HA GLY 74 -21.697 -22.050 -6.812 566 HA PRO 75 HA PRO 75 -24.694 -19.830 -4.519 567 HB2 PRO 75 1HB PRO 75 -23.315 -17.619 -3.755 568 HB3 PRO 75 2HB PRO 75 -23.005 -19.225 -3.083 569 HG2 PRO 75 1HG PRO 75 -21.529 -17.754 -5.231 570 HG3 PRO 75 2HG PRO 75 -20.883 -18.702 -3.880 571 HD2 PRO 75 1HD PRO 75 -21.054 -19.684 -6.397 572 HD3 PRO 75 2HD PRO 75 -21.230 -20.710 -4.958 573 H SER 76 H SER 76 -23.327 -18.449 -7.346 574 HA SER 76 HA SER 76 -24.460 -15.936 -7.481 575 HB2 SER 76 1HB SER 76 -22.900 -16.751 -9.170 576 HB3 SER 76 2HB SER 76 -24.085 -17.933 -9.726 577 HG SER 76 HG SER 76 -23.863 -15.284 -10.320 578 H SER 77 H SER 77 -26.503 -15.467 -6.981 579 HA SER 77 HA SER 77 -28.711 -17.038 -6.925 580 HB2 SER 77 1HB SER 77 -30.068 -14.988 -7.195 581 HB3 SER 77 2HB SER 77 -28.710 -14.737 -6.096 582 HG SER 77 HG SER 77 -28.888 -13.024 -7.578 583 H GLY 78 H GLY 78 -29.320 -18.431 -8.465 584 HA2 GLY 78 1HA GLY 78 -30.688 -17.729 -10.733 585 HA3 GLY 78 2HA GLY 78 -29.019 -17.884 -11.261
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