NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
7533 | 1kot | 5058 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 HT1 GLY 1 206.006 -16.089 6.561 2 2H GLY 1 HT2 GLY 1 207.137 -15.622 7.729 3 3H GLY 1 HT3 GLY 1 207.467 -15.378 6.088 4 1HA GLY 1 HA1 GLY 1 206.750 -13.305 6.434 5 2HA GLY 1 HA2 GLY 1 205.161 -14.046 6.325 6 H SER 2 HN SER 2 206.101 -11.684 7.837 7 HA SER 2 HA SER 2 204.714 -12.242 10.274 8 1HB SER 2 HB2 SER 2 207.641 -11.511 10.515 9 2HB SER 2 HB1 SER 2 206.508 -11.789 11.837 10 HG SER 2 HG SER 2 207.653 -13.661 11.561 11 H MET 3 HN MET 3 203.909 -10.503 8.483 12 HA MET 3 HA MET 3 204.885 -7.865 9.317 13 1HB MET 3 HB2 MET 3 203.565 -8.883 6.843 14 2HB MET 3 HB1 MET 3 203.306 -7.204 7.296 15 1HG MET 3 HG2 MET 3 205.916 -7.176 7.499 16 2HG MET 3 HG1 MET 3 205.800 -8.570 6.425 17 1HE MET 3 HE1 MET 3 204.985 -4.898 7.041 18 2HE MET 3 HE2 MET 3 205.157 -4.183 5.439 19 3HE MET 3 HE3 MET 3 206.559 -4.896 6.246 20 H LYS 4 HN LYS 4 203.473 -6.272 10.057 21 HA LYS 4 HA LYS 4 200.791 -7.232 10.819 22 1HB LYS 4 HB2 LYS 4 202.897 -5.850 12.391 23 2HB LYS 4 HB1 LYS 4 201.233 -5.363 12.690 24 1HG LYS 4 HG2 LYS 4 201.484 -7.022 14.240 25 2HG LYS 4 HG1 LYS 4 200.831 -7.941 12.882 26 1HD LYS 4 HD2 LYS 4 202.596 -9.288 13.235 27 2HD LYS 4 HD1 LYS 4 203.498 -8.048 12.364 28 1HE LYS 4 HE2 LYS 4 204.587 -7.368 14.210 29 2HE LYS 4 HE1 LYS 4 203.157 -7.523 15.229 30 1HZ LYS 4 HZ1 LYS 4 205.273 -9.437 14.702 31 2HZ LYS 4 HZ2 LYS 4 203.710 -10.082 14.747 32 3HZ LYS 4 HZ3 LYS 4 204.314 -9.234 16.081 33 H PHE 5 HN PHE 5 199.127 -6.055 10.128 34 HA PHE 5 HA PHE 5 199.552 -3.232 9.435 35 1HB PHE 5 HB2 PHE 5 198.555 -5.427 7.672 36 2HB PHE 5 HB1 PHE 5 197.844 -3.828 7.495 37 HD1 PHE 5 HD1 PHE 5 198.774 -2.448 5.926 38 HD2 PHE 5 HD2 PHE 5 201.228 -5.373 7.801 39 HE1 PHE 5 HE1 PHE 5 200.666 -1.768 4.506 40 HE2 PHE 5 HE2 PHE 5 203.121 -4.696 6.387 41 HZ PHE 5 HZ PHE 5 202.842 -2.894 4.736 42 H VAL 6 HN VAL 6 197.451 -2.050 9.164 43 HA VAL 6 HA VAL 6 195.268 -3.284 10.682 44 HB VAL 6 HB VAL 6 196.526 -1.846 12.241 45 1HG1 VAL 6 HG11 VAL 6 197.314 -0.213 10.538 46 2HG1 VAL 6 HG12 VAL 6 196.648 0.524 11.993 47 3HG1 VAL 6 HG13 VAL 6 195.688 0.472 10.516 48 1HG2 VAL 6 HG21 VAL 6 194.644 -1.196 13.295 49 2HG2 VAL 6 HG22 VAL 6 193.853 -2.053 11.972 50 3HG2 VAL 6 HG23 VAL 6 194.046 -0.301 11.897 51 H TYR 7 HN TYR 7 196.210 -0.513 8.651 52 HA TYR 7 HA TYR 7 193.503 0.032 7.880 53 1HB TYR 7 HB2 TYR 7 195.203 1.816 7.795 54 2HB TYR 7 HB1 TYR 7 196.085 0.919 6.563 55 HD1 TYR 7 HD1 TYR 7 195.552 1.156 4.286 56 HD2 TYR 7 HD2 TYR 7 192.852 2.605 7.240 57 HE1 TYR 7 HE1 TYR 7 194.224 2.247 2.529 58 HE2 TYR 7 HE2 TYR 7 191.517 3.700 5.491 59 HH TYR 7 HH TYR 7 192.067 4.604 3.049 60 H LYS 8 HN LYS 8 196.303 -1.484 6.320 61 HA LYS 8 HA LYS 8 194.812 -2.339 4.031 62 1HB LYS 8 HB2 LYS 8 197.416 -1.965 4.345 63 2HB LYS 8 HB1 LYS 8 197.381 -3.649 4.844 64 1HG LYS 8 HG2 LYS 8 195.953 -3.065 2.346 65 2HG LYS 8 HG1 LYS 8 197.699 -2.823 2.298 66 1HD LYS 8 HD2 LYS 8 198.110 -5.021 2.344 67 2HD LYS 8 HD1 LYS 8 196.940 -5.296 3.636 68 1HE LYS 8 HE2 LYS 8 195.894 -6.446 1.980 69 2HE LYS 8 HE1 LYS 8 195.233 -4.846 1.647 70 1HZ LYS 8 HZ1 LYS 8 197.754 -5.447 0.347 71 2HZ LYS 8 HZ2 LYS 8 196.375 -4.681 -0.264 72 3HZ LYS 8 HZ3 LYS 8 196.437 -6.369 -0.180 73 H GLU 9 HN GLU 9 195.238 -3.457 7.224 74 HA GLU 9 HA GLU 9 194.561 -6.198 6.640 75 1HB GLU 9 HB2 GLU 9 195.489 -4.692 9.008 76 2HB GLU 9 HB1 GLU 9 194.465 -6.086 9.323 77 1HG GLU 9 HG2 GLU 9 196.559 -6.665 7.403 78 2HG GLU 9 HG1 GLU 9 197.194 -6.105 8.949 79 H GLU 10 HN GLU 10 193.136 -3.352 8.143 80 HA GLU 10 HA GLU 10 190.730 -4.609 8.969 81 1HB GLU 10 HB2 GLU 10 191.556 -1.742 8.580 82 2HB GLU 10 HB1 GLU 10 189.899 -2.159 8.992 83 1HG GLU 10 HG2 GLU 10 191.688 -3.531 10.750 84 2HG GLU 10 HG1 GLU 10 192.081 -1.813 10.723 85 H HIS 11 HN HIS 11 191.334 -2.295 6.316 86 HA HIS 11 HA HIS 11 188.886 -2.334 5.088 87 1HB HIS 11 HB2 HIS 11 191.671 -1.974 4.095 88 2HB HIS 11 HB1 HIS 11 190.395 -2.173 2.898 89 HD1 HIS 11 HD1 HIS 11 189.049 -0.143 2.348 90 HD2 HIS 11 HD2 HIS 11 191.227 0.310 5.856 91 HE1 HIS 11 HE1 HIS 11 188.751 2.262 3.017 92 HE2 HIS 11 HE2 HIS 11 189.978 2.479 5.206 93 HA PRO 12 HA PRO 12 188.373 -6.828 4.453 94 1HB PRO 12 HB2 PRO 12 186.295 -5.806 2.637 95 2HB PRO 12 HB1 PRO 12 186.160 -6.956 3.965 96 1HG PRO 12 HG2 PRO 12 185.416 -4.245 4.010 97 2HG PRO 12 HG1 PRO 12 185.529 -5.333 5.399 98 1HD PRO 12 HD2 PRO 12 187.158 -3.083 4.830 99 2HD PRO 12 HD1 PRO 12 187.365 -4.258 6.136 100 H PHE 13 HN PHE 13 188.147 -8.176 2.456 101 HA PHE 13 HA PHE 13 190.131 -7.452 0.582 102 1HB PHE 13 HB2 PHE 13 189.365 -9.820 1.298 103 2HB PHE 13 HB1 PHE 13 188.114 -9.620 0.074 104 HD1 PHE 13 HD1 PHE 13 189.175 -8.596 -2.230 105 HD2 PHE 13 HD2 PHE 13 191.189 -11.024 0.628 106 HE1 PHE 13 HE1 PHE 13 190.763 -9.314 -3.964 107 HE2 PHE 13 HE2 PHE 13 192.780 -11.746 -1.105 108 HZ PHE 13 HZ PHE 13 192.569 -10.888 -3.404 109 H GLU 14 HN GLU 14 186.598 -7.634 0.388 110 HA GLU 14 HA GLU 14 186.280 -6.988 -2.294 111 1HB GLU 14 HB2 GLU 14 184.621 -6.976 0.102 112 2HB GLU 14 HB1 GLU 14 184.169 -5.703 -1.022 113 1HG GLU 14 HG2 GLU 14 183.986 -7.397 -2.809 114 2HG GLU 14 HG1 GLU 14 184.333 -8.647 -1.616 115 H LYS 15 HN LYS 15 187.236 -5.022 0.379 116 HA LYS 15 HA LYS 15 186.726 -2.508 -0.945 117 1HB LYS 15 HB2 LYS 15 188.424 -2.949 1.508 118 2HB LYS 15 HB1 LYS 15 187.590 -1.480 1.019 119 1HG LYS 15 HG2 LYS 15 185.882 -3.838 1.444 120 2HG LYS 15 HG1 LYS 15 186.670 -3.179 2.876 121 1HD LYS 15 HD2 LYS 15 185.810 -0.922 2.162 122 2HD LYS 15 HD1 LYS 15 184.828 -1.771 0.963 123 1HE LYS 15 HE2 LYS 15 183.907 -3.134 2.879 124 2HE LYS 15 HE1 LYS 15 184.705 -1.995 3.961 125 1HZ LYS 15 HZ1 LYS 15 183.206 -0.394 3.525 126 2HZ LYS 15 HZ2 LYS 15 182.213 -1.694 3.097 127 3HZ LYS 15 HZ3 LYS 15 183.028 -0.825 1.898 128 H ARG 16 HN ARG 16 189.732 -3.911 0.382 129 HA ARG 16 HA ARG 16 191.509 -2.311 -0.999 130 1HB ARG 16 HB2 ARG 16 193.106 -4.308 -0.774 131 2HB ARG 16 HB1 ARG 16 192.438 -3.629 0.704 132 1HG ARG 16 HG2 ARG 16 190.614 -5.574 0.070 133 2HG ARG 16 HG1 ARG 16 192.140 -6.291 -0.442 134 1HD ARG 16 HD2 ARG 16 192.260 -4.962 2.162 135 2HD ARG 16 HD1 ARG 16 191.153 -6.333 2.105 136 HE ARG 16 HE ARG 16 193.646 -6.999 0.931 137 1HH1 ARG 16 HH11 ARG 16 192.103 -6.493 4.019 138 2HH1 ARG 16 HH12 ARG 16 193.181 -7.549 4.871 139 1HH2 ARG 16 HH21 ARG 16 195.063 -8.388 2.049 140 2HH2 ARG 16 HH22 ARG 16 194.861 -8.624 3.753 141 H ARG 17 HN ARG 17 189.639 -5.005 -2.125 142 HA ARG 17 HA ARG 17 191.142 -5.350 -4.565 143 1HB ARG 17 HB2 ARG 17 190.001 -7.261 -3.544 144 2HB ARG 17 HB1 ARG 17 188.453 -6.448 -3.731 145 1HG ARG 17 HG2 ARG 17 188.757 -6.488 -6.175 146 2HG ARG 17 HG1 ARG 17 190.266 -7.374 -5.950 147 1HD ARG 17 HD2 ARG 17 189.161 -9.263 -5.117 148 2HD ARG 17 HD1 ARG 17 187.674 -8.367 -4.816 149 HE ARG 17 HE ARG 17 188.426 -8.468 -7.589 150 1HH1 ARG 17 HH11 ARG 17 186.728 -10.115 -5.022 151 2HH1 ARG 17 HH12 ARG 17 185.699 -10.996 -6.100 152 1HH2 ARG 17 HH21 ARG 17 187.072 -9.625 -9.007 153 2HH2 ARG 17 HH22 ARG 17 185.893 -10.718 -8.363 154 H SER 18 HN SER 18 187.882 -4.193 -3.726 155 HA SER 18 HA SER 18 186.999 -3.399 -6.187 156 1HB SER 18 HB2 SER 18 185.473 -3.278 -4.373 157 2HB SER 18 HB1 SER 18 186.529 -2.202 -3.456 158 HG SER 18 HG SER 18 185.610 -0.590 -4.419 159 H GLU 19 HN GLU 19 188.885 -1.477 -3.875 160 HA GLU 19 HA GLU 19 189.101 0.830 -5.471 161 1HB GLU 19 HB2 GLU 19 190.102 -0.109 -2.949 162 2HB GLU 19 HB1 GLU 19 191.395 0.669 -3.849 163 1HG GLU 19 HG2 GLU 19 190.441 2.713 -3.733 164 2HG GLU 19 HG1 GLU 19 188.800 2.071 -3.745 165 H GLY 20 HN GLY 20 191.219 -1.980 -5.064 166 1HA GLY 20 HA2 GLY 20 193.318 -1.048 -6.699 167 2HA GLY 20 HA1 GLY 20 193.007 -2.728 -6.292 168 H GLU 21 HN GLU 21 190.742 -3.396 -7.474 169 HA GLU 21 HA GLU 21 191.399 -3.771 -10.131 170 1HB GLU 21 HB2 GLU 21 189.861 -5.273 -9.263 171 2HB GLU 21 HB1 GLU 21 188.844 -4.004 -8.592 172 1HG GLU 21 HG2 GLU 21 187.763 -3.641 -10.549 173 2HG GLU 21 HG1 GLU 21 189.149 -4.114 -11.531 174 H LYS 22 HN LYS 22 189.993 -0.999 -8.641 175 HA LYS 22 HA LYS 22 189.001 0.021 -11.186 176 1HB LYS 22 HB2 LYS 22 187.467 0.542 -9.532 177 2HB LYS 22 HB1 LYS 22 188.708 0.845 -8.326 178 1HG LYS 22 HG2 LYS 22 188.563 2.683 -10.652 179 2HG LYS 22 HG1 LYS 22 187.298 2.794 -9.426 180 1HD LYS 22 HD2 LYS 22 189.571 2.657 -7.902 181 2HD LYS 22 HD1 LYS 22 190.115 3.584 -9.302 182 1HE LYS 22 HE2 LYS 22 187.506 4.354 -8.149 183 2HE LYS 22 HE1 LYS 22 188.928 4.690 -7.160 184 1HZ LYS 22 HZ1 LYS 22 188.115 5.856 -9.707 185 2HZ LYS 22 HZ2 LYS 22 189.773 5.628 -9.471 186 3HZ LYS 22 HZ3 LYS 22 188.887 6.575 -8.384 187 H ILE 23 HN ILE 23 191.289 0.948 -8.639 188 HA ILE 23 HA ILE 23 192.365 3.209 -9.877 189 HB ILE 23 HB ILE 23 193.474 1.248 -7.885 190 1HG1 ILE 23 HG12 ILE 23 192.930 4.142 -7.385 191 2HG1 ILE 23 HG11 ILE 23 191.574 3.025 -7.500 192 1HG2 ILE 23 HG21 ILE 23 195.437 2.429 -7.587 193 2HG2 ILE 23 HG22 ILE 23 194.821 3.862 -8.399 194 3HG2 ILE 23 HG23 ILE 23 195.264 2.440 -9.340 195 1HD1 ILE 23 HD11 ILE 23 193.486 1.860 -5.783 196 2HD1 ILE 23 HD12 ILE 23 191.879 2.473 -5.390 197 3HD1 ILE 23 HD13 ILE 23 193.278 3.543 -5.297 198 H ARG 24 HN ARG 24 192.846 -0.172 -10.467 199 HA ARG 24 HA ARG 24 195.279 0.146 -11.977 200 1HB ARG 24 HB2 ARG 24 193.369 -2.168 -11.622 201 2HB ARG 24 HB1 ARG 24 194.838 -2.260 -12.585 202 1HG ARG 24 HG2 ARG 24 194.648 -1.750 -9.626 203 2HG ARG 24 HG1 ARG 24 195.242 -3.209 -10.417 204 1HD ARG 24 HD2 ARG 24 196.503 -0.495 -10.254 205 2HD ARG 24 HD1 ARG 24 197.177 -2.058 -9.801 206 HE ARG 24 HE ARG 24 197.300 -0.829 -12.360 207 1HH1 ARG 24 HH11 ARG 24 197.035 -3.938 -10.795 208 2HH1 ARG 24 HH12 ARG 24 197.761 -4.801 -12.109 209 1HH2 ARG 24 HH21 ARG 24 198.253 -1.964 -14.089 210 2HH2 ARG 24 HH22 ARG 24 198.452 -3.681 -13.979 211 H LYS 25 HN LYS 25 191.850 -0.348 -12.645 212 HA LYS 25 HA LYS 25 192.150 -0.466 -15.484 213 1HB LYS 25 HB2 LYS 25 189.748 0.001 -13.721 214 2HB LYS 25 HB1 LYS 25 189.672 -0.295 -15.456 215 1HG LYS 25 HG2 LYS 25 190.569 -2.501 -15.177 216 2HG LYS 25 HG1 LYS 25 190.868 -2.205 -13.462 217 1HD LYS 25 HD2 LYS 25 188.853 -3.543 -13.765 218 2HD LYS 25 HD1 LYS 25 188.451 -1.960 -13.096 219 1HE LYS 25 HE2 LYS 25 187.268 -1.359 -14.909 220 2HE LYS 25 HE1 LYS 25 188.432 -2.073 -16.024 221 1HZ LYS 25 HZ1 LYS 25 186.755 -3.517 -16.356 222 2HZ LYS 25 HZ2 LYS 25 186.035 -3.227 -14.854 223 3HZ LYS 25 HZ3 LYS 25 187.367 -4.263 -14.966 224 H LYS 26 HN LYS 26 191.232 2.018 -13.157 225 HA LYS 26 HA LYS 26 190.644 3.976 -15.143 226 1HB LYS 26 HB2 LYS 26 189.906 3.721 -12.596 227 2HB LYS 26 HB1 LYS 26 191.275 4.802 -12.373 228 1HG LYS 26 HG2 LYS 26 190.301 6.473 -13.716 229 2HG LYS 26 HG1 LYS 26 189.079 5.359 -14.336 230 1HD LYS 26 HD2 LYS 26 187.790 5.516 -12.473 231 2HD LYS 26 HD1 LYS 26 189.173 5.757 -11.405 232 1HE LYS 26 HE2 LYS 26 187.620 7.739 -11.705 233 2HE LYS 26 HE1 LYS 26 189.337 8.040 -11.964 234 1HZ LYS 26 HZ1 LYS 26 187.332 7.563 -14.102 235 2HZ LYS 26 HZ2 LYS 26 188.977 7.875 -14.342 236 3HZ LYS 26 HZ3 LYS 26 187.980 9.069 -13.678 237 H TYR 27 HN TYR 27 193.372 3.160 -13.110 238 HA TYR 27 HA TYR 27 194.985 5.133 -14.593 239 1HB TYR 27 HB2 TYR 27 195.861 4.297 -11.873 240 2HB TYR 27 HB1 TYR 27 196.087 5.833 -12.702 241 HD1 TYR 27 HD1 TYR 27 194.934 4.855 -9.827 242 HD2 TYR 27 HD2 TYR 27 193.296 6.558 -13.361 243 HE1 TYR 27 HE1 TYR 27 193.096 5.810 -8.502 244 HE2 TYR 27 HE2 TYR 27 191.454 7.525 -12.048 245 HH TYR 27 HH TYR 27 191.491 7.861 -8.795 246 HA PRO 28 HA PRO 28 196.846 1.075 -15.527 247 1HB PRO 28 HB2 PRO 28 197.798 2.390 -17.949 248 2HB PRO 28 HB1 PRO 28 196.689 1.028 -17.785 249 1HG PRO 28 HG2 PRO 28 195.887 3.471 -18.638 250 2HG PRO 28 HG1 PRO 28 194.829 2.376 -17.729 251 1HD PRO 28 HD2 PRO 28 196.385 4.746 -16.759 252 2HD PRO 28 HD1 PRO 28 194.721 4.255 -16.371 253 H ASP 29 HN ASP 29 198.207 4.268 -15.365 254 HA ASP 29 HA ASP 29 200.933 3.200 -15.402 255 1HB ASP 29 HB2 ASP 29 200.058 6.089 -15.263 256 2HB ASP 29 HB1 ASP 29 201.679 5.487 -15.600 257 H ARG 30 HN ARG 30 198.536 3.909 -13.161 258 HA ARG 30 HA ARG 30 200.494 4.528 -11.055 259 1HB ARG 30 HB2 ARG 30 197.592 5.097 -11.407 260 2HB ARG 30 HB1 ARG 30 198.195 4.888 -9.772 261 1HG ARG 30 HG2 ARG 30 199.915 6.651 -11.247 262 2HG ARG 30 HG1 ARG 30 198.240 7.201 -11.332 263 1HD ARG 30 HD2 ARG 30 198.066 7.147 -8.922 264 2HD ARG 30 HD1 ARG 30 199.704 6.506 -8.794 265 HE ARG 30 HE ARG 30 200.529 8.622 -9.127 266 1HH1 ARG 30 HH11 ARG 30 197.132 8.578 -9.933 267 2HH1 ARG 30 HH12 ARG 30 197.020 10.298 -10.087 268 1HH2 ARG 30 HH21 ARG 30 200.380 10.886 -9.330 269 2HH2 ARG 30 HH22 ARG 30 198.862 11.609 -9.746 270 H VAL 31 HN VAL 31 200.252 3.467 -8.982 271 HA VAL 31 HA VAL 31 198.916 0.855 -9.106 272 HB VAL 31 HB VAL 31 200.805 -0.220 -7.981 273 1HG1 VAL 31 HG11 VAL 31 201.607 -0.794 -9.968 274 2HG1 VAL 31 HG12 VAL 31 202.334 0.795 -10.205 275 3HG1 VAL 31 HG13 VAL 31 200.653 0.517 -10.662 276 1HG2 VAL 31 HG21 VAL 31 202.303 1.019 -6.902 277 2HG2 VAL 31 HG22 VAL 31 201.713 2.494 -7.673 278 3HG2 VAL 31 HG23 VAL 31 202.949 1.519 -8.465 279 HA PRO 32 HA PRO 32 197.394 2.433 -5.193 280 1HB PRO 32 HB2 PRO 32 196.032 0.192 -4.450 281 2HB PRO 32 HB1 PRO 32 195.406 1.366 -5.611 282 1HG PRO 32 HG2 PRO 32 196.736 -1.264 -6.107 283 2HG PRO 32 HG1 PRO 32 195.335 -0.548 -6.922 284 1HD PRO 32 HD2 PRO 32 197.821 -0.523 -7.998 285 2HD PRO 32 HD1 PRO 32 196.648 0.777 -8.279 286 H VAL 33 HN VAL 33 199.015 2.606 -3.742 287 HA VAL 33 HA VAL 33 200.228 0.131 -2.739 288 HB VAL 33 HB VAL 33 201.311 2.942 -2.642 289 1HG1 VAL 33 HG11 VAL 33 203.403 1.259 -2.121 290 2HG1 VAL 33 HG12 VAL 33 202.075 0.486 -1.254 291 3HG1 VAL 33 HG13 VAL 33 202.492 2.164 -0.911 292 1HG2 VAL 33 HG21 VAL 33 202.098 0.557 -4.330 293 2HG2 VAL 33 HG22 VAL 33 202.989 2.079 -4.238 294 3HG2 VAL 33 HG23 VAL 33 201.350 2.058 -4.890 295 H ILE 34 HN ILE 34 200.263 -0.364 -0.606 296 HA ILE 34 HA ILE 34 198.884 1.492 1.210 297 HB ILE 34 HB ILE 34 199.035 -1.486 1.661 298 1HG1 ILE 34 HG12 ILE 34 197.854 -1.194 -0.435 299 2HG1 ILE 34 HG11 ILE 34 196.669 -1.526 0.825 300 1HG2 ILE 34 HG21 ILE 34 197.615 0.838 2.883 301 2HG2 ILE 34 HG22 ILE 34 198.484 -0.485 3.663 302 3HG2 ILE 34 HG23 ILE 34 196.886 -0.765 2.963 303 1HD1 ILE 34 HD11 ILE 34 197.277 1.312 0.237 304 2HD1 ILE 34 HD12 ILE 34 195.757 0.546 0.703 305 3HD1 ILE 34 HD13 ILE 34 196.347 0.403 -0.954 306 H VAL 35 HN VAL 35 201.067 2.405 1.403 307 HA VAL 35 HA VAL 35 203.241 1.063 2.535 308 HB VAL 35 HB VAL 35 202.496 3.963 2.935 309 1HG1 VAL 35 HG11 VAL 35 205.104 4.071 2.955 310 2HG1 VAL 35 HG12 VAL 35 204.972 2.376 3.430 311 3HG1 VAL 35 HG13 VAL 35 204.219 3.633 4.418 312 1HG2 VAL 35 HG21 VAL 35 204.024 2.592 0.732 313 2HG2 VAL 35 HG22 VAL 35 204.027 4.336 0.995 314 3HG2 VAL 35 HG23 VAL 35 202.523 3.507 0.589 315 H GLU 36 HN GLU 36 204.079 1.153 4.732 316 HA GLU 36 HA GLU 36 202.173 1.747 6.852 317 1HB GLU 36 HB2 GLU 36 202.373 -0.835 5.827 318 2HB GLU 36 HB1 GLU 36 203.327 -0.879 7.301 319 1HG GLU 36 HG2 GLU 36 200.990 0.507 7.954 320 2HG GLU 36 HG1 GLU 36 200.482 -0.854 6.959 321 H LYS 37 HN LYS 37 203.139 1.573 9.015 322 HA LYS 37 HA LYS 37 206.011 2.153 8.898 323 1HB LYS 37 HB2 LYS 37 204.205 3.749 9.927 324 2HB LYS 37 HB1 LYS 37 204.297 2.666 11.308 325 1HG LYS 37 HG2 LYS 37 206.950 3.311 10.583 326 2HG LYS 37 HG1 LYS 37 206.024 4.813 10.591 327 1HD LYS 37 HD2 LYS 37 206.906 4.477 12.791 328 2HD LYS 37 HD1 LYS 37 205.168 4.183 12.852 329 1HE LYS 37 HE2 LYS 37 205.417 1.928 13.153 330 2HE LYS 37 HE1 LYS 37 206.980 1.888 12.340 331 1HZ LYS 37 HZ1 LYS 37 207.440 1.550 14.593 332 2HZ LYS 37 HZ2 LYS 37 206.380 2.766 15.100 333 3HZ LYS 37 HZ3 LYS 37 207.828 3.175 14.329 334 H ALA 38 HN ALA 38 206.868 0.132 8.943 335 HA ALA 38 HA ALA 38 206.239 -2.162 10.153 336 1HB ALA 38 HB1 ALA 38 208.287 -1.693 8.813 337 2HB ALA 38 HB2 ALA 38 208.545 -2.742 10.207 338 3HB ALA 38 HB3 ALA 38 209.026 -1.044 10.281 339 HA PRO 39 HA PRO 39 205.994 -1.874 14.536 340 1HB PRO 39 HB2 PRO 39 207.073 -4.322 15.180 341 2HB PRO 39 HB1 PRO 39 205.399 -4.074 14.658 342 1HG PRO 39 HG2 PRO 39 207.774 -4.945 13.077 343 2HG PRO 39 HG1 PRO 39 206.112 -5.550 13.019 344 1HD PRO 39 HD2 PRO 39 207.062 -3.888 11.161 345 2HD PRO 39 HD1 PRO 39 205.383 -3.772 11.732 346 H LYS 40 HN LYS 40 207.263 -1.358 16.278 347 HA LYS 40 HA LYS 40 209.094 -0.795 17.485 348 1HB LYS 40 HB2 LYS 40 210.342 -2.918 15.750 349 2HB LYS 40 HB1 LYS 40 211.232 -2.077 17.011 350 1HG LYS 40 HG2 LYS 40 210.542 -3.725 18.341 351 2HG LYS 40 HG1 LYS 40 208.992 -2.885 18.345 352 1HD LYS 40 HD2 LYS 40 208.840 -4.360 16.042 353 2HD LYS 40 HD1 LYS 40 209.757 -5.427 17.106 354 1HE LYS 40 HE2 LYS 40 207.481 -4.182 18.434 355 2HE LYS 40 HE1 LYS 40 207.014 -5.158 17.043 356 1HZ LYS 40 HZ1 LYS 40 208.954 -6.352 18.849 357 2HZ LYS 40 HZ2 LYS 40 207.641 -7.057 18.049 358 3HZ LYS 40 HZ3 LYS 40 207.389 -6.165 19.464 359 H ALA 41 HN ALA 41 208.909 -0.138 14.174 360 HA ALA 41 HA ALA 41 211.321 0.971 13.493 361 1HB ALA 41 HB1 ALA 41 210.229 2.129 11.806 362 2HB ALA 41 HB2 ALA 41 208.767 2.347 12.764 363 3HB ALA 41 HB3 ALA 41 209.159 0.756 12.101 364 H ARG 42 HN ARG 42 212.340 2.856 13.937 365 HA ARG 42 HA ARG 42 211.411 4.341 16.256 366 1HB ARG 42 HB2 ARG 42 214.027 4.754 14.816 367 2HB ARG 42 HB1 ARG 42 213.627 5.167 16.479 368 1HG ARG 42 HG2 ARG 42 213.822 2.986 17.209 369 2HG ARG 42 HG1 ARG 42 213.563 2.314 15.598 370 1HD ARG 42 HD2 ARG 42 215.745 2.336 15.150 371 2HD ARG 42 HD1 ARG 42 215.905 4.010 15.679 372 HE ARG 42 HE ARG 42 216.513 1.643 17.195 373 1HH1 ARG 42 HH11 ARG 42 215.670 5.026 17.379 374 2HH1 ARG 42 HH12 ARG 42 216.362 5.241 18.951 375 1HH2 ARG 42 HH21 ARG 42 217.422 1.924 19.264 376 2HH2 ARG 42 HH22 ARG 42 217.358 3.481 20.021 377 H ILE 43 HN ILE 43 210.005 4.674 13.894 378 HA ILE 43 HA ILE 43 210.510 7.512 13.285 379 HB ILE 43 HB ILE 43 209.296 6.840 11.075 380 1HG1 ILE 43 HG12 ILE 43 210.588 4.237 11.897 381 2HG1 ILE 43 HG11 ILE 43 208.855 4.523 11.788 382 1HG2 ILE 43 HG21 ILE 43 212.168 6.510 11.803 383 2HG2 ILE 43 HG22 ILE 43 211.395 7.763 10.831 384 3HG2 ILE 43 HG23 ILE 43 211.629 6.147 10.163 385 1HD1 ILE 43 HD11 ILE 43 209.680 5.255 9.316 386 2HD1 ILE 43 HD12 ILE 43 209.064 3.659 9.754 387 3HD1 ILE 43 HD13 ILE 43 210.803 3.951 9.700 388 H GLY 44 HN GLY 44 208.519 8.549 12.324 389 1HA GLY 44 HA2 GLY 44 206.394 8.341 14.202 390 2HA GLY 44 HA1 GLY 44 206.405 9.344 12.759 391 H ASP 45 HN ASP 45 204.326 7.569 14.006 392 HA ASP 45 HA ASP 45 203.949 5.436 12.099 393 1HB ASP 45 HB2 ASP 45 202.025 6.487 14.182 394 2HB ASP 45 HB1 ASP 45 201.911 4.951 13.330 395 H LEU 46 HN LEU 46 202.706 5.433 10.328 396 HA LEU 46 HA LEU 46 201.555 7.977 9.498 397 1HB LEU 46 HB2 LEU 46 202.546 5.542 8.148 398 2HB LEU 46 HB1 LEU 46 201.187 6.337 7.377 399 HG LEU 46 HG LEU 46 203.896 7.526 7.951 400 1HD1 LEU 46 HD11 LEU 46 203.369 7.873 5.311 401 2HD1 LEU 46 HD12 LEU 46 202.589 6.321 5.620 402 3HD1 LEU 46 HD13 LEU 46 204.302 6.538 5.982 403 1HD2 LEU 46 HD21 LEU 46 202.317 9.226 6.333 404 2HD2 LEU 46 HD22 LEU 46 202.985 9.546 7.932 405 3HD2 LEU 46 HD23 LEU 46 201.377 8.840 7.772 406 H ASP 47 HN ASP 47 199.433 8.271 8.913 407 HA ASP 47 HA ASP 47 197.574 6.135 9.725 408 1HB ASP 47 HB2 ASP 47 195.951 7.912 10.233 409 2HB ASP 47 HB1 ASP 47 197.431 8.114 11.166 410 H LYS 48 HN LYS 48 198.882 7.366 7.056 411 HA LYS 48 HA LYS 48 196.467 7.696 5.476 412 1HB LYS 48 HB2 LYS 48 198.318 9.200 5.028 413 2HB LYS 48 HB1 LYS 48 199.402 7.844 4.761 414 1HG LYS 48 HG2 LYS 48 197.826 7.206 2.846 415 2HG LYS 48 HG1 LYS 48 197.178 8.839 3.019 416 1HD LYS 48 HD2 LYS 48 199.972 9.122 3.004 417 2HD LYS 48 HD1 LYS 48 199.601 7.958 1.732 418 1HE LYS 48 HE2 LYS 48 199.403 9.923 0.570 419 2HE LYS 48 HE1 LYS 48 197.739 9.698 1.112 420 1HZ LYS 48 HZ1 LYS 48 198.656 11.081 3.147 421 2HZ LYS 48 HZ2 LYS 48 198.059 11.834 1.755 422 3HZ LYS 48 HZ3 LYS 48 199.727 11.659 1.971 423 H LYS 49 HN LYS 49 199.398 5.687 5.246 424 HA LYS 49 HA LYS 49 199.752 3.558 4.583 425 1HB LYS 49 HB2 LYS 49 196.831 3.421 5.227 426 2HB LYS 49 HB1 LYS 49 197.589 2.065 4.401 427 1HG LYS 49 HG2 LYS 49 199.105 2.988 6.711 428 2HG LYS 49 HG1 LYS 49 197.475 2.443 7.112 429 1HD LYS 49 HD2 LYS 49 198.329 0.511 5.364 430 2HD LYS 49 HD1 LYS 49 199.807 0.913 6.237 431 1HE LYS 49 HE2 LYS 49 197.208 -0.116 7.323 432 2HE LYS 49 HE1 LYS 49 198.810 -0.820 7.473 433 1HZ LYS 49 HZ1 LYS 49 198.881 0.173 9.444 434 2HZ LYS 49 HZ2 LYS 49 197.530 1.138 9.117 435 3HZ LYS 49 HZ3 LYS 49 199.066 1.637 8.618 436 H LYS 50 HN LYS 50 196.749 4.709 3.007 437 HA LYS 50 HA LYS 50 197.271 3.354 0.574 438 1HB LYS 50 HB2 LYS 50 195.272 5.240 1.606 439 2HB LYS 50 HB1 LYS 50 195.574 5.398 -0.118 440 1HG LYS 50 HG2 LYS 50 195.285 2.629 0.638 441 2HG LYS 50 HG1 LYS 50 193.886 3.583 1.133 442 1HD LYS 50 HD2 LYS 50 193.264 3.032 -1.001 443 2HD LYS 50 HD1 LYS 50 194.106 4.552 -1.307 444 1HE LYS 50 HE2 LYS 50 196.192 3.075 -1.627 445 2HE LYS 50 HE1 LYS 50 195.046 1.746 -1.778 446 1HZ LYS 50 HZ1 LYS 50 195.867 3.272 -3.819 447 2HZ LYS 50 HZ2 LYS 50 194.438 4.070 -3.391 448 3HZ LYS 50 HZ3 LYS 50 194.399 2.429 -3.799 449 H TYR 51 HN TYR 51 198.203 4.006 -1.305 450 HA TYR 51 HA TYR 51 199.079 6.756 -1.633 451 1HB TYR 51 HB2 TYR 51 200.970 4.432 -1.355 452 2HB TYR 51 HB1 TYR 51 201.416 5.880 -2.253 453 HD1 TYR 51 HD1 TYR 51 201.811 7.981 -1.106 454 HD2 TYR 51 HD2 TYR 51 200.702 4.489 1.042 455 HE1 TYR 51 HE1 TYR 51 202.482 9.070 0.992 456 HE2 TYR 51 HE2 TYR 51 201.366 5.563 3.152 457 HH TYR 51 HH TYR 51 201.637 7.888 4.026 458 H LEU 52 HN LEU 52 198.526 7.300 -3.626 459 HA LEU 52 HA LEU 52 198.333 5.212 -5.671 460 1HB LEU 52 HB2 LEU 52 196.607 7.221 -5.044 461 2HB LEU 52 HB1 LEU 52 197.520 7.972 -6.338 462 HG LEU 52 HG LEU 52 196.911 6.193 -7.870 463 1HD1 LEU 52 HD11 LEU 52 196.557 4.172 -7.004 464 2HD1 LEU 52 HD12 LEU 52 194.930 4.732 -6.618 465 3HD1 LEU 52 HD13 LEU 52 196.207 4.827 -5.406 466 1HD2 LEU 52 HD21 LEU 52 194.947 7.152 -8.327 467 2HD2 LEU 52 HD22 LEU 52 195.208 8.111 -6.871 468 3HD2 LEU 52 HD23 LEU 52 194.240 6.639 -6.795 469 H VAL 53 HN VAL 53 200.662 5.084 -5.780 470 HA VAL 53 HA VAL 53 201.989 7.361 -7.051 471 HB VAL 53 HB VAL 53 203.937 5.441 -6.814 472 1HG1 VAL 53 HG11 VAL 53 204.742 6.762 -4.923 473 2HG1 VAL 53 HG12 VAL 53 203.157 7.522 -4.776 474 3HG1 VAL 53 HG13 VAL 53 204.136 7.795 -6.217 475 1HG2 VAL 53 HG21 VAL 53 203.758 4.572 -4.511 476 2HG2 VAL 53 HG22 VAL 53 202.531 3.911 -5.588 477 3HG2 VAL 53 HG23 VAL 53 202.105 5.174 -4.433 478 HA PRO 54 HA PRO 54 202.020 5.790 -11.154 479 1HB PRO 54 HB2 PRO 54 204.956 6.243 -11.161 480 2HB PRO 54 HB1 PRO 54 203.720 6.860 -12.263 481 1HG PRO 54 HG2 PRO 54 204.841 8.450 -10.439 482 2HG PRO 54 HG1 PRO 54 203.116 8.581 -10.832 483 1HD PRO 54 HD2 PRO 54 204.431 7.339 -8.455 484 2HD PRO 54 HD1 PRO 54 202.919 8.264 -8.556 485 H SER 55 HN SER 55 203.769 4.418 -12.555 486 HA SER 55 HA SER 55 204.251 1.991 -10.961 487 1HB SER 55 HB2 SER 55 202.742 2.321 -13.306 488 2HB SER 55 HB1 SER 55 204.221 1.505 -13.813 489 HG SER 55 HG SER 55 203.335 -0.223 -13.033 490 H ASP 56 HN ASP 56 205.743 4.469 -12.723 491 HA ASP 56 HA ASP 56 208.146 2.873 -13.219 492 1HB ASP 56 HB2 ASP 56 208.923 4.894 -14.473 493 2HB ASP 56 HB1 ASP 56 207.446 4.188 -15.123 494 H LEU 57 HN LEU 57 206.767 4.821 -10.893 495 HA LEU 57 HA LEU 57 208.890 6.403 -10.019 496 1HB LEU 57 HB2 LEU 57 206.581 6.673 -9.237 497 2HB LEU 57 HB1 LEU 57 206.700 5.149 -8.377 498 HG LEU 57 HG LEU 57 208.787 6.379 -7.273 499 1HD1 LEU 57 HD11 LEU 57 208.346 8.723 -6.909 500 2HD1 LEU 57 HD12 LEU 57 206.900 8.634 -7.914 501 3HD1 LEU 57 HD13 LEU 57 208.491 8.396 -8.635 502 1HD2 LEU 57 HD21 LEU 57 205.925 6.202 -6.592 503 2HD2 LEU 57 HD22 LEU 57 206.872 7.356 -5.653 504 3HD2 LEU 57 HD23 LEU 57 207.343 5.657 -5.696 505 H THR 58 HN THR 58 210.854 5.655 -9.584 506 HA THR 58 HA THR 58 211.397 3.000 -8.761 507 HB THR 58 HB THR 58 213.707 3.856 -8.340 508 HG1 THR 58 HG1 THR 58 213.357 5.938 -7.735 509 1HG2 THR 58 HG21 THR 58 213.647 3.161 -10.487 510 2HG2 THR 58 HG22 THR 58 213.917 4.882 -10.763 511 3HG2 THR 58 HG23 THR 58 212.293 4.209 -10.911 512 H VAL 59 HN VAL 59 212.289 2.265 -6.821 513 HA VAL 59 HA VAL 59 210.877 2.915 -4.531 514 HB VAL 59 HB VAL 59 213.414 1.417 -5.028 515 1HG1 VAL 59 HG11 VAL 59 213.403 0.754 -2.601 516 2HG1 VAL 59 HG12 VAL 59 212.292 2.093 -2.311 517 3HG1 VAL 59 HG13 VAL 59 213.919 2.410 -2.916 518 1HG2 VAL 59 HG21 VAL 59 212.144 -0.446 -4.768 519 2HG2 VAL 59 HG22 VAL 59 210.881 0.671 -5.284 520 3HG2 VAL 59 HG23 VAL 59 211.087 0.305 -3.572 521 H GLY 60 HN GLY 60 213.901 4.209 -5.760 522 1HA GLY 60 HA2 GLY 60 214.745 5.568 -3.434 523 2HA GLY 60 HA1 GLY 60 215.183 5.996 -5.085 524 H GLN 61 HN GLN 61 212.516 6.423 -6.011 525 HA GLN 61 HA GLN 61 212.147 9.134 -5.163 526 1HB GLN 61 HB2 GLN 61 210.527 7.367 -6.995 527 2HB GLN 61 HB1 GLN 61 210.235 9.086 -6.748 528 1HG GLN 61 HG2 GLN 61 212.506 9.556 -7.533 529 2HG GLN 61 HG1 GLN 61 212.727 7.841 -7.858 530 1HE2 GLN 61 HE21 GLN 61 210.206 7.260 -8.887 531 2HE2 GLN 61 HE22 GLN 61 210.030 8.037 -10.420 532 H PHE 62 HN PHE 62 210.276 6.137 -4.925 533 HA PHE 62 HA PHE 62 208.044 7.038 -3.574 534 1HB PHE 62 HB2 PHE 62 208.589 4.684 -4.450 535 2HB PHE 62 HB1 PHE 62 209.377 4.427 -2.896 536 HD1 PHE 62 HD1 PHE 62 208.019 2.854 -1.861 537 HD2 PHE 62 HD2 PHE 62 206.268 6.311 -3.609 538 HE1 PHE 62 HE1 PHE 62 205.847 2.250 -0.870 539 HE2 PHE 62 HE2 PHE 62 204.095 5.718 -2.624 540 HZ PHE 62 HZ PHE 62 203.884 3.686 -1.257 541 H TYR 63 HN TYR 63 211.188 6.100 -2.262 542 HA TYR 63 HA TYR 63 210.650 6.213 0.456 543 1HB TYR 63 HB2 TYR 63 213.058 6.597 -1.241 544 2HB TYR 63 HB1 TYR 63 213.159 7.191 0.412 545 HD1 TYR 63 HD1 TYR 63 213.916 4.533 -1.597 546 HD2 TYR 63 HD2 TYR 63 212.133 5.363 2.169 547 HE1 TYR 63 HE1 TYR 63 214.482 2.264 -0.837 548 HE2 TYR 63 HE2 TYR 63 212.693 3.108 2.943 549 HH TYR 63 HH TYR 63 214.844 1.261 1.845 550 H PHE 64 HN PHE 64 212.321 8.719 -1.339 551 HA PHE 64 HA PHE 64 212.312 10.802 0.358 552 1HB PHE 64 HB2 PHE 64 213.401 11.125 -1.679 553 2HB PHE 64 HB1 PHE 64 211.999 10.625 -2.615 554 HD1 PHE 64 HD1 PHE 64 210.514 12.189 -3.483 555 HD2 PHE 64 HD2 PHE 64 213.353 13.385 -0.546 556 HE1 PHE 64 HE1 PHE 64 209.950 14.550 -3.903 557 HE2 PHE 64 HE2 PHE 64 212.791 15.746 -0.956 558 HZ PHE 64 HZ PHE 64 211.089 16.330 -2.638 559 H LEU 65 HN LEU 65 209.502 9.688 -1.466 560 HA LEU 65 HA LEU 65 207.903 11.959 -0.785 561 1HB LEU 65 HB2 LEU 65 206.537 11.159 -2.339 562 2HB LEU 65 HB1 LEU 65 207.735 9.912 -2.629 563 HG LEU 65 HG LEU 65 206.546 8.588 -0.816 564 1HD1 LEU 65 HD11 LEU 65 204.551 9.268 0.017 565 2HD1 LEU 65 HD12 LEU 65 204.069 10.043 -1.492 566 3HD1 LEU 65 HD13 LEU 65 205.172 10.869 -0.390 567 1HD2 LEU 65 HD21 LEU 65 205.139 7.574 -2.406 568 2HD2 LEU 65 HD22 LEU 65 206.460 8.273 -3.344 569 3HD2 LEU 65 HD23 LEU 65 204.897 9.087 -3.276 570 H ILE 66 HN ILE 66 208.322 8.699 0.489 571 HA ILE 66 HA ILE 66 206.263 8.950 2.462 572 HB ILE 66 HB ILE 66 208.553 7.001 2.200 573 1HG1 ILE 66 HG12 ILE 66 206.936 6.759 0.425 574 2HG1 ILE 66 HG11 ILE 66 206.727 5.427 1.556 575 1HG2 ILE 66 HG21 ILE 66 206.808 5.720 3.797 576 2HG2 ILE 66 HG22 ILE 66 206.561 7.378 4.344 577 3HG2 ILE 66 HG23 ILE 66 208.172 6.662 4.401 578 1HD1 ILE 66 HD11 ILE 66 204.786 6.481 2.506 579 2HD1 ILE 66 HD12 ILE 66 204.603 6.370 0.755 580 3HD1 ILE 66 HD13 ILE 66 205.028 7.909 1.503 581 H ARG 67 HN ARG 67 209.749 9.417 2.357 582 HA ARG 67 HA ARG 67 210.417 9.655 5.011 583 1HB ARG 67 HB2 ARG 67 211.502 10.545 2.477 584 2HB ARG 67 HB1 ARG 67 211.742 11.785 3.701 585 1HG ARG 67 HG2 ARG 67 213.363 10.633 4.683 586 2HG ARG 67 HG1 ARG 67 212.404 9.152 4.707 587 1HD ARG 67 HD2 ARG 67 213.123 8.537 2.549 588 2HD ARG 67 HD1 ARG 67 213.769 10.148 2.226 589 HE ARG 67 HE ARG 67 215.148 9.150 4.413 590 1HH1 ARG 67 HH11 ARG 67 214.716 8.335 1.048 591 2HH1 ARG 67 HH12 ARG 67 216.279 7.608 0.894 592 1HH2 ARG 67 HH21 ARG 67 217.205 8.193 4.213 593 2HH2 ARG 67 HH22 ARG 67 217.693 7.526 2.690 594 H LYS 68 HN LYS 68 208.830 12.081 2.961 595 HA LYS 68 HA LYS 68 208.834 14.137 4.925 596 1HB LYS 68 HB2 LYS 68 206.913 13.793 2.627 597 2HB LYS 68 HB1 LYS 68 207.290 15.286 3.477 598 1HG LYS 68 HG2 LYS 68 209.039 15.687 2.172 599 2HG LYS 68 HG1 LYS 68 209.666 14.052 2.391 600 1HD LYS 68 HD2 LYS 68 208.198 13.219 0.661 601 2HD LYS 68 HD1 LYS 68 207.449 14.807 0.490 602 1HE LYS 68 HE2 LYS 68 210.361 14.217 -0.015 603 2HE LYS 68 HE1 LYS 68 209.123 14.301 -1.267 604 1HZ LYS 68 HZ1 LYS 68 209.107 16.614 0.408 605 2HZ LYS 68 HZ2 LYS 68 209.223 16.507 -1.275 606 3HZ LYS 68 HZ3 LYS 68 210.616 16.386 -0.324 607 H ARG 69 HN ARG 69 206.430 11.749 3.886 608 HA ARG 69 HA ARG 69 204.306 12.530 5.491 609 1HB ARG 69 HB2 ARG 69 205.027 9.679 4.805 610 2HB ARG 69 HB1 ARG 69 203.430 10.302 5.197 611 1HG ARG 69 HG2 ARG 69 204.636 11.704 2.965 612 2HG ARG 69 HG1 ARG 69 204.489 9.970 2.673 613 1HD ARG 69 HD2 ARG 69 202.221 10.022 2.688 614 2HD ARG 69 HD1 ARG 69 202.149 11.342 3.854 615 HE ARG 69 HE ARG 69 201.992 11.577 1.053 616 1HH1 ARG 69 HH11 ARG 69 203.440 13.140 3.816 617 2HH1 ARG 69 HH12 ARG 69 203.478 14.701 3.071 618 1HH2 ARG 69 HH21 ARG 69 202.041 13.630 0.070 619 2HH2 ARG 69 HH22 ARG 69 202.683 14.981 0.944 620 H ILE 70 HN ILE 70 207.283 11.035 6.359 621 HA ILE 70 HA ILE 70 206.263 10.492 9.061 622 HB ILE 70 HB ILE 70 208.752 9.321 8.996 623 1HG1 ILE 70 HG12 ILE 70 207.404 8.515 6.431 624 2HG1 ILE 70 HG11 ILE 70 208.663 9.746 6.472 625 1HG2 ILE 70 HG21 ILE 70 206.506 7.603 8.196 626 2HG2 ILE 70 HG22 ILE 70 206.242 8.597 9.627 627 3HG2 ILE 70 HG23 ILE 70 207.603 7.477 9.571 628 1HD1 ILE 70 HD11 ILE 70 210.311 8.246 6.907 629 2HD1 ILE 70 HD12 ILE 70 209.209 7.217 5.994 630 3HD1 ILE 70 HD13 ILE 70 209.234 7.137 7.756 631 H HIS 71 HN HIS 71 208.307 12.501 7.230 632 HA HIS 71 HA HIS 71 209.400 14.403 7.853 633 1HB HIS 71 HB2 HIS 71 209.294 13.577 10.748 634 2HB HIS 71 HB1 HIS 71 209.458 15.196 10.078 635 HD1 HIS 71 HD1 HIS 71 206.945 14.268 8.023 636 HD2 HIS 71 HD2 HIS 71 207.034 14.712 12.153 637 HE1 HIS 71 HE1 HIS 71 204.554 14.634 8.712 638 HE2 HIS 71 HE2 HIS 71 204.643 14.983 11.205 639 H LEU 72 HN LEU 72 210.801 12.562 6.807 640 HA LEU 72 HA LEU 72 213.236 12.339 8.454 641 1HB LEU 72 HB2 LEU 72 212.059 10.412 6.485 642 2HB LEU 72 HB1 LEU 72 213.759 10.362 6.918 643 HG LEU 72 HG LEU 72 212.445 8.698 8.141 644 1HD1 LEU 72 HD11 LEU 72 213.991 10.817 9.442 645 2HD1 LEU 72 HD12 LEU 72 214.174 9.063 9.511 646 3HD1 LEU 72 HD13 LEU 72 212.975 9.868 10.527 647 1HD2 LEU 72 HD21 LEU 72 210.657 9.187 9.514 648 2HD2 LEU 72 HD22 LEU 72 210.392 10.261 8.139 649 3HD2 LEU 72 HD23 LEU 72 211.081 10.894 9.636 650 H ARG 73 HN ARG 73 215.122 12.958 7.529 651 HA ARG 73 HA ARG 73 214.916 14.298 4.943 652 1HB ARG 73 HB2 ARG 73 217.503 14.714 5.788 653 2HB ARG 73 HB1 ARG 73 216.158 15.812 6.053 654 1HG ARG 73 HG2 ARG 73 216.905 13.649 8.000 655 2HG ARG 73 HG1 ARG 73 217.576 15.279 8.060 656 1HD ARG 73 HD2 ARG 73 214.615 14.930 7.948 657 2HD ARG 73 HD1 ARG 73 215.454 14.640 9.470 658 HE ARG 73 HE ARG 73 214.916 17.164 8.268 659 1HH1 ARG 73 HH11 ARG 73 217.232 15.455 10.240 660 2HH1 ARG 73 HH12 ARG 73 217.814 16.887 11.020 661 1HH2 ARG 73 HH21 ARG 73 215.681 19.050 9.290 662 2HH2 ARG 73 HH22 ARG 73 216.932 18.929 10.480 663 H ALA 74 HN ALA 74 216.611 13.928 3.315 664 HA ALA 74 HA ALA 74 216.827 11.350 2.486 665 1HB ALA 74 HB1 ALA 74 219.240 12.933 1.923 666 2HB ALA 74 HB2 ALA 74 217.710 13.714 1.518 667 3HB ALA 74 HB3 ALA 74 218.111 12.145 0.817 668 H GLU 75 HN GLU 75 218.962 13.017 4.721 669 HA GLU 75 HA GLU 75 220.904 10.950 4.867 670 1HB GLU 75 HB2 GLU 75 220.353 13.485 6.247 671 2HB GLU 75 HB1 GLU 75 221.218 12.285 7.195 672 1HG GLU 75 HG2 GLU 75 222.197 12.751 4.455 673 2HG GLU 75 HG1 GLU 75 222.424 14.062 5.610 674 H ASP 76 HN ASP 76 218.012 11.761 6.690 675 HA ASP 76 HA ASP 76 218.292 10.057 8.874 676 1HB ASP 76 HB2 ASP 76 215.978 11.256 7.446 677 2HB ASP 76 HB1 ASP 76 215.658 9.948 8.574 678 H ALA 77 HN ALA 77 217.141 8.068 9.320 679 HA ALA 77 HA ALA 77 217.573 6.186 7.157 680 1HB ALA 77 HB1 ALA 77 218.538 5.646 9.306 681 2HB ALA 77 HB2 ALA 77 217.313 4.455 8.866 682 3HB ALA 77 HB3 ALA 77 216.944 5.701 10.059 683 H LEU 78 HN LEU 78 216.103 4.963 6.208 684 HA LEU 78 HA LEU 78 213.459 4.532 7.115 685 1HB LEU 78 HB2 LEU 78 213.076 6.814 6.447 686 2HB LEU 78 HB1 LEU 78 213.871 6.543 4.907 687 HG LEU 78 HG LEU 78 212.046 4.983 4.275 688 1HD1 LEU 78 HD11 LEU 78 211.216 4.179 6.307 689 2HD1 LEU 78 HD12 LEU 78 209.933 5.216 5.679 690 3HD1 LEU 78 HD13 LEU 78 210.993 5.803 6.960 691 1HD2 LEU 78 HD21 LEU 78 211.080 7.722 5.081 692 2HD2 LEU 78 HD22 LEU 78 210.380 6.681 3.841 693 3HD2 LEU 78 HD23 LEU 78 211.995 7.354 3.619 694 H PHE 79 HN PHE 79 213.409 2.452 6.527 695 HA PHE 79 HA PHE 79 214.190 1.780 3.764 696 1HB PHE 79 HB2 PHE 79 214.246 -0.064 6.162 697 2HB PHE 79 HB1 PHE 79 214.813 -0.435 4.539 698 HD1 PHE 79 HD1 PHE 79 215.424 1.853 7.404 699 HD2 PHE 79 HD2 PHE 79 217.026 -0.084 3.971 700 HE1 PHE 79 HE1 PHE 79 217.674 2.638 8.017 701 HE2 PHE 79 HE2 PHE 79 219.280 0.695 4.579 702 HZ PHE 79 HZ PHE 79 219.605 2.058 6.604 703 H PHE 80 HN PHE 80 212.734 0.761 2.505 704 HA PHE 80 HA PHE 80 210.058 0.442 3.554 705 1HB PHE 80 HB2 PHE 80 211.237 0.271 0.789 706 2HB PHE 80 HB1 PHE 80 209.576 -0.211 1.116 707 HD1 PHE 80 HD1 PHE 80 209.099 1.971 3.254 708 HD2 PHE 80 HD2 PHE 80 210.699 2.051 -0.687 709 HE1 PHE 80 HE1 PHE 80 208.393 4.314 3.023 710 HE2 PHE 80 HE2 PHE 80 209.988 4.391 -0.930 711 HZ PHE 80 HZ PHE 80 208.836 5.526 0.926 712 H PHE 81 HN PHE 81 208.895 -1.453 3.637 713 HA PHE 81 HA PHE 81 210.359 -3.926 3.092 714 1HB PHE 81 HB2 PHE 81 208.868 -3.314 5.649 715 2HB PHE 81 HB1 PHE 81 209.555 -4.881 5.225 716 HD1 PHE 81 HD1 PHE 81 210.301 -1.441 6.222 717 HD2 PHE 81 HD2 PHE 81 211.928 -5.261 5.294 718 HE1 PHE 81 HE1 PHE 81 212.465 -0.741 7.158 719 HE2 PHE 81 HE2 PHE 81 214.096 -4.570 6.230 720 HZ PHE 81 HZ PHE 81 214.373 -2.305 7.155 721 H VAL 82 HN VAL 82 209.226 -4.932 1.598 722 HA VAL 82 HA VAL 82 206.288 -4.917 1.799 723 HB VAL 82 HB VAL 82 207.312 -3.880 -0.279 724 1HG1 VAL 82 HG11 VAL 82 207.823 -6.694 -1.180 725 2HG1 VAL 82 HG12 VAL 82 209.086 -5.727 -0.416 726 3HG1 VAL 82 HG13 VAL 82 208.342 -5.178 -1.919 727 1HG2 VAL 82 HG21 VAL 82 205.640 -6.236 -1.038 728 2HG2 VAL 82 HG22 VAL 82 205.544 -4.564 -1.595 729 3HG2 VAL 82 HG23 VAL 82 204.985 -4.989 0.023 730 H ASN 83 HN ASN 83 205.432 -6.789 2.427 731 HA ASN 83 HA ASN 83 205.154 -9.018 2.822 732 1HB ASN 83 HB2 ASN 83 207.227 -9.469 0.659 733 2HB ASN 83 HB1 ASN 83 206.044 -10.630 1.252 734 1HD2 ASN 83 HD21 ASN 83 203.735 -9.326 1.276 735 2HD2 ASN 83 HD22 ASN 83 203.309 -8.768 -0.303 736 H ASN 84 HN ASN 84 207.357 -7.275 3.927 737 HA ASN 84 HA ASN 84 208.688 -7.579 5.770 738 1HB ASN 84 HB2 ASN 84 207.672 -10.021 5.741 739 2HB ASN 84 HB1 ASN 84 209.277 -10.439 5.149 740 1HD2 ASN 84 HD21 ASN 84 207.854 -8.352 7.647 741 2HD2 ASN 84 HD22 ASN 84 208.934 -8.836 8.904 742 H VAL 85 HN VAL 85 209.421 -7.679 2.603 743 HA VAL 85 HA VAL 85 212.306 -7.929 3.115 744 HB VAL 85 HB VAL 85 211.408 -9.570 1.546 745 1HG1 VAL 85 HG11 VAL 85 210.230 -7.217 0.328 746 2HG1 VAL 85 HG12 VAL 85 209.783 -8.915 0.171 747 3HG1 VAL 85 HG13 VAL 85 211.068 -8.246 -0.833 748 1HG2 VAL 85 HG21 VAL 85 213.173 -7.695 0.026 749 2HG2 VAL 85 HG22 VAL 85 213.184 -9.459 0.030 750 3HG2 VAL 85 HG23 VAL 85 213.752 -8.570 1.444 751 H ILE 86 HN ILE 86 213.702 -6.590 1.860 752 HA ILE 86 HA ILE 86 212.647 -3.877 1.625 753 HB ILE 86 HB ILE 86 215.500 -4.856 1.568 754 1HG1 ILE 86 HG12 ILE 86 213.644 -3.990 3.736 755 2HG1 ILE 86 HG11 ILE 86 214.879 -5.244 3.750 756 1HG2 ILE 86 HG21 ILE 86 216.222 -2.699 1.379 757 2HG2 ILE 86 HG22 ILE 86 214.787 -2.034 2.158 758 3HG2 ILE 86 HG23 ILE 86 214.712 -2.560 0.477 759 1HD1 ILE 86 HD11 ILE 86 215.377 -2.284 3.852 760 2HD1 ILE 86 HD12 ILE 86 216.609 -3.546 3.893 761 3HD1 ILE 86 HD13 ILE 86 215.453 -3.397 5.215 762 HA PRO 87 HA PRO 87 212.725 -4.386 -2.834 763 1HB PRO 87 HB2 PRO 87 211.614 -2.036 -3.484 764 2HB PRO 87 HB1 PRO 87 210.664 -3.332 -2.748 765 1HG PRO 87 HG2 PRO 87 211.844 -0.893 -1.477 766 2HG PRO 87 HG1 PRO 87 210.243 -1.615 -1.238 767 1HD PRO 87 HD2 PRO 87 212.363 -1.994 0.461 768 2HD PRO 87 HD1 PRO 87 211.028 -3.146 0.272 769 HA PRO 88 HA PRO 88 216.461 -2.262 -3.935 770 1HB PRO 88 HB2 PRO 88 215.755 -2.570 -6.751 771 2HB PRO 88 HB1 PRO 88 217.027 -3.373 -5.827 772 1HG PRO 88 HG2 PRO 88 214.842 -4.687 -6.726 773 2HG PRO 88 HG1 PRO 88 215.664 -5.123 -5.217 774 1HD PRO 88 HD2 PRO 88 213.169 -3.508 -5.614 775 2HD PRO 88 HD1 PRO 88 213.510 -4.784 -4.423 776 H THR 89 HN THR 89 216.896 -0.153 -4.021 777 HA THR 89 HA THR 89 215.050 1.852 -4.468 778 HB THR 89 HB THR 89 217.072 3.343 -4.832 779 HG1 THR 89 HG1 THR 89 218.366 0.848 -4.528 780 1HG2 THR 89 HG21 THR 89 216.201 3.075 -2.609 781 2HG2 THR 89 HG22 THR 89 217.966 3.059 -2.564 782 3HG2 THR 89 HG23 THR 89 217.066 1.548 -2.421 783 H SER 90 HN SER 90 216.898 0.044 -6.774 784 HA SER 90 HA SER 90 216.509 1.897 -8.940 785 1HB SER 90 HB2 SER 90 217.739 0.400 -10.259 786 2HB SER 90 HB1 SER 90 218.419 0.170 -8.648 787 HG SER 90 HG SER 90 217.227 -1.701 -8.433 788 H ALA 91 HN ALA 91 214.827 -0.847 -7.615 789 HA ALA 91 HA ALA 91 213.258 -1.528 -9.852 790 1HB ALA 91 HB1 ALA 91 212.591 -1.819 -6.923 791 2HB ALA 91 HB2 ALA 91 213.473 -2.988 -7.907 792 3HB ALA 91 HB3 ALA 91 211.779 -2.642 -8.257 793 H THR 92 HN THR 92 211.056 -1.051 -10.306 794 HA THR 92 HA THR 92 210.306 1.668 -9.504 795 HB THR 92 HB THR 92 208.929 1.733 -11.490 796 HG1 THR 92 HG1 THR 92 208.625 -0.026 -12.769 797 1HG2 THR 92 HG21 THR 92 211.400 0.389 -12.483 798 2HG2 THR 92 HG22 THR 92 211.494 1.956 -11.680 799 3HG2 THR 92 HG23 THR 92 210.529 1.772 -13.146 800 H MET 93 HN MET 93 208.238 2.171 -8.784 801 HA MET 93 HA MET 93 207.024 0.490 -6.977 802 1HB MET 93 HB2 MET 93 205.983 2.841 -8.524 803 2HB MET 93 HB1 MET 93 204.951 1.972 -7.399 804 1HG MET 93 HG2 MET 93 207.569 2.768 -6.342 805 2HG MET 93 HG1 MET 93 206.480 4.090 -6.753 806 1HE MET 93 HE1 MET 93 205.030 0.685 -4.027 807 2HE MET 93 HE2 MET 93 206.732 0.727 -4.487 808 3HE MET 93 HE3 MET 93 205.487 0.551 -5.726 809 H GLY 94 HN GLY 94 206.265 0.911 -10.410 810 1HA GLY 94 HA2 GLY 94 203.960 -0.683 -10.505 811 2HA GLY 94 HA1 GLY 94 205.047 -0.393 -11.856 812 H GLN 95 HN GLN 95 207.366 -1.536 -10.556 813 HA GLN 95 HA GLN 95 206.966 -4.252 -11.286 814 1HB GLN 95 HB2 GLN 95 209.306 -2.920 -9.905 815 2HB GLN 95 HB1 GLN 95 209.317 -4.555 -10.553 816 1HG GLN 95 HG2 GLN 95 208.467 -2.613 -12.524 817 2HG GLN 95 HG1 GLN 95 210.063 -2.246 -11.872 818 1HE2 GLN 95 HE21 GLN 95 210.932 -2.709 -13.939 819 2HE2 GLN 95 HE22 GLN 95 211.171 -4.340 -14.455 820 H LEU 96 HN LEU 96 207.571 -2.605 -8.191 821 HA LEU 96 HA LEU 96 207.578 -4.834 -6.529 822 1HB LEU 96 HB2 LEU 96 206.386 -2.137 -5.870 823 2HB LEU 96 HB1 LEU 96 206.959 -3.333 -4.723 824 HG LEU 96 HG LEU 96 208.656 -1.761 -6.659 825 1HD1 LEU 96 HD11 LEU 96 208.388 -0.250 -5.000 826 2HD1 LEU 96 HD12 LEU 96 209.634 -1.223 -4.220 827 3HD1 LEU 96 HD13 LEU 96 207.936 -1.472 -3.811 828 1HD2 LEU 96 HD21 LEU 96 209.572 -3.720 -4.563 829 2HD2 LEU 96 HD22 LEU 96 210.556 -2.885 -5.765 830 3HD2 LEU 96 HD23 LEU 96 209.407 -4.123 -6.272 831 H TYR 97 HN TYR 97 204.923 -2.984 -7.872 832 HA TYR 97 HA TYR 97 202.823 -4.177 -6.434 833 1HB TYR 97 HB2 TYR 97 202.507 -2.120 -7.711 834 2HB TYR 97 HB1 TYR 97 202.843 -2.975 -9.213 835 HD1 TYR 97 HD1 TYR 97 200.336 -2.046 -6.828 836 HD2 TYR 97 HD2 TYR 97 201.236 -4.794 -9.944 837 HE1 TYR 97 HE1 TYR 97 197.942 -2.559 -7.058 838 HE2 TYR 97 HE2 TYR 97 198.845 -5.316 -10.186 839 HH TYR 97 HH TYR 97 196.799 -5.198 -8.937 840 H GLN 98 HN GLN 98 203.979 -4.846 -9.741 841 HA GLN 98 HA GLN 98 202.398 -7.146 -10.123 842 1HB GLN 98 HB2 GLN 98 204.997 -6.362 -11.429 843 2HB GLN 98 HB1 GLN 98 203.871 -7.571 -12.032 844 1HG GLN 98 HG2 GLN 98 202.220 -5.465 -11.839 845 2HG GLN 98 HG1 GLN 98 203.744 -4.632 -12.145 846 1HE2 GLN 98 HE21 GLN 98 204.968 -5.317 -14.039 847 2HE2 GLN 98 HE22 GLN 98 204.110 -5.859 -15.437 848 H GLU 99 HN GLU 99 205.375 -6.645 -8.447 849 HA GLU 99 HA GLU 99 205.883 -9.535 -8.378 850 1HB GLU 99 HB2 GLU 99 207.627 -7.143 -7.964 851 2HB GLU 99 HB1 GLU 99 208.097 -8.711 -7.324 852 1HG GLU 99 HG2 GLU 99 209.155 -8.652 -9.369 853 2HG GLU 99 HG1 GLU 99 207.687 -9.567 -9.711 854 H HIS 100 HN HIS 100 204.236 -7.378 -6.507 855 HA HIS 100 HA HIS 100 204.555 -9.083 -4.190 856 1HB HIS 100 HB2 HIS 100 205.218 -6.144 -4.000 857 2HB HIS 100 HB1 HIS 100 205.071 -7.244 -2.636 858 HD1 HIS 100 HD1 HIS 100 207.052 -8.741 -2.113 859 HD2 HIS 100 HD2 HIS 100 207.527 -6.567 -5.622 860 HE1 HIS 100 HE1 HIS 100 209.458 -9.047 -2.773 861 HE2 HIS 100 HE2 HIS 100 209.745 -7.650 -4.850 862 H HIS 101 HN HIS 101 202.445 -7.661 -6.143 863 HA HIS 101 HA HIS 101 200.691 -6.350 -4.326 864 1HB HIS 101 HB2 HIS 101 199.040 -6.412 -6.088 865 2HB HIS 101 HB1 HIS 101 200.597 -6.001 -6.790 866 HD1 HIS 101 HD1 HIS 101 197.793 -8.243 -7.188 867 HD2 HIS 101 HD2 HIS 101 201.850 -8.381 -8.078 868 HE1 HIS 101 HE1 HIS 101 198.050 -10.082 -8.883 869 HE2 HIS 101 HE2 HIS 101 200.501 -10.097 -9.462 870 H GLU 102 HN GLU 102 200.056 -7.467 -2.576 871 HA GLU 102 HA GLU 102 199.514 -10.258 -2.594 872 1HB GLU 102 HB2 GLU 102 198.955 -8.078 -0.586 873 2HB GLU 102 HB1 GLU 102 198.523 -9.760 -0.304 874 1HG GLU 102 HG2 GLU 102 201.205 -9.781 -1.109 875 2HG GLU 102 HG1 GLU 102 201.047 -8.443 0.027 876 H GLU 103 HN GLU 103 198.047 -9.878 -4.581 877 HA GLU 103 HA GLU 103 195.976 -9.978 -5.514 878 1HB GLU 103 HB2 GLU 103 195.906 -11.488 -3.183 879 2HB GLU 103 HB1 GLU 103 194.469 -10.482 -3.071 880 1HG GLU 103 HG2 GLU 103 193.688 -12.353 -4.158 881 2HG GLU 103 HG1 GLU 103 194.026 -11.254 -5.495 882 H ASP 104 HN ASP 104 193.438 -9.343 -4.497 883 HA ASP 104 HA ASP 104 192.043 -7.550 -4.407 884 1HB ASP 104 HB2 ASP 104 193.386 -5.807 -2.613 885 2HB ASP 104 HB1 ASP 104 192.052 -6.902 -2.274 886 H PHE 105 HN PHE 105 194.375 -7.422 -6.309 887 HA PHE 105 HA PHE 105 195.404 -5.939 -7.713 888 1HB PHE 105 HB2 PHE 105 192.818 -4.456 -7.197 889 2HB PHE 105 HB1 PHE 105 193.927 -4.118 -8.522 890 HD1 PHE 105 HD1 PHE 105 193.313 -4.950 -10.560 891 HD2 PHE 105 HD2 PHE 105 192.213 -7.097 -7.055 892 HE1 PHE 105 HE1 PHE 105 192.166 -6.624 -11.948 893 HE2 PHE 105 HE2 PHE 105 191.067 -8.774 -8.437 894 HZ PHE 105 HZ PHE 105 191.040 -8.540 -10.889 895 H PHE 106 HN PHE 106 195.824 -5.552 -4.770 896 HA PHE 106 HA PHE 106 196.564 -2.707 -4.786 897 1HB PHE 106 HB2 PHE 106 195.294 -4.403 -2.772 898 2HB PHE 106 HB1 PHE 106 196.670 -3.500 -2.148 899 HD1 PHE 106 HD1 PHE 106 194.497 -2.327 -4.863 900 HD2 PHE 106 HD2 PHE 106 195.447 -2.044 -0.723 901 HE1 PHE 106 HE1 PHE 106 193.082 -0.308 -4.674 902 HE2 PHE 106 HE2 PHE 106 194.034 -0.037 -0.528 903 HZ PHE 106 HZ PHE 106 192.852 0.832 -2.505 904 H LEU 107 HN LEU 107 198.392 -2.175 -3.396 905 HA LEU 107 HA LEU 107 200.482 -4.231 -3.291 906 1HB LEU 107 HB2 LEU 107 200.958 -3.033 -5.304 907 2HB LEU 107 HB1 LEU 107 200.643 -1.486 -4.546 908 HG LEU 107 HG LEU 107 203.042 -1.837 -4.991 909 1HD1 LEU 107 HD11 LEU 107 202.033 -0.639 -2.908 910 2HD1 LEU 107 HD12 LEU 107 203.768 -0.862 -3.093 911 3HD1 LEU 107 HD13 LEU 107 202.846 -1.941 -2.046 912 1HD2 LEU 107 HD21 LEU 107 203.847 -3.902 -4.748 913 2HD2 LEU 107 HD22 LEU 107 202.480 -4.401 -3.751 914 3HD2 LEU 107 HD23 LEU 107 203.865 -3.596 -3.011 915 H TYR 108 HN TYR 108 200.628 -4.397 -1.076 916 HA TYR 108 HA TYR 108 200.611 -1.900 0.454 917 1HB TYR 108 HB2 TYR 108 199.685 -3.023 2.209 918 2HB TYR 108 HB1 TYR 108 199.170 -4.096 0.917 919 HD1 TYR 108 HD1 TYR 108 201.693 -5.612 0.419 920 HD2 TYR 108 HD2 TYR 108 199.833 -4.351 4.012 921 HE1 TYR 108 HE1 TYR 108 202.749 -7.494 1.605 922 HE2 TYR 108 HE2 TYR 108 200.883 -6.228 5.230 923 HH TYR 108 HH TYR 108 202.727 -7.742 5.039 924 H ILE 109 HN ILE 109 202.246 -1.210 1.695 925 HA ILE 109 HA ILE 109 204.735 -2.770 1.721 926 HB ILE 109 HB ILE 109 204.435 0.102 0.866 927 1HG1 ILE 109 HG12 ILE 109 204.924 -2.476 -0.570 928 2HG1 ILE 109 HG11 ILE 109 203.806 -1.175 -0.943 929 1HG2 ILE 109 HG21 ILE 109 206.473 -0.023 2.083 930 2HG2 ILE 109 HG22 ILE 109 206.902 -0.064 0.374 931 3HG2 ILE 109 HG23 ILE 109 206.912 -1.553 1.319 932 1HD1 ILE 109 HD11 ILE 109 205.703 0.222 -1.641 933 2HD1 ILE 109 HD12 ILE 109 205.549 -1.257 -2.592 934 3HD1 ILE 109 HD13 ILE 109 206.782 -1.138 -1.332 935 H ALA 110 HN ALA 110 206.370 -1.855 3.205 936 HA ALA 110 HA ALA 110 205.223 -0.301 5.433 937 1HB ALA 110 HB1 ALA 110 206.706 -1.761 6.927 938 2HB ALA 110 HB2 ALA 110 206.723 -2.893 5.576 939 3HB ALA 110 HB3 ALA 110 205.195 -2.452 6.338 940 H TYR 111 HN TYR 111 206.917 0.608 6.841 941 HA TYR 111 HA TYR 111 209.519 0.981 5.584 942 1HB TYR 111 HB2 TYR 111 209.394 3.361 5.455 943 2HB TYR 111 HB1 TYR 111 207.972 2.727 4.640 944 HD1 TYR 111 HD1 TYR 111 209.148 4.234 7.791 945 HD2 TYR 111 HD2 TYR 111 205.817 3.339 5.339 946 HE1 TYR 111 HE1 TYR 111 207.722 5.599 9.258 947 HE2 TYR 111 HE2 TYR 111 204.366 4.702 6.775 948 HH TYR 111 HH TYR 111 204.318 5.541 9.069 949 H SER 112 HN SER 112 211.095 1.081 7.058 950 HA SER 112 HA SER 112 210.422 1.813 9.841 951 1HB SER 112 HB2 SER 112 210.741 -0.332 10.404 952 2HB SER 112 HB1 SER 112 211.373 -0.741 8.813 953 HG SER 112 HG SER 112 212.734 0.111 11.115 954 H ASP 113 HN ASP 113 212.453 2.216 11.141 955 HA ASP 113 HA ASP 113 214.168 3.983 9.597 956 1HB ASP 113 HB2 ASP 113 213.170 4.784 11.706 957 2HB ASP 113 HB1 ASP 113 214.028 3.518 12.585 958 H GLU 114 HN GLU 114 214.262 0.834 9.969 959 HA GLU 114 HA GLU 114 217.196 0.734 10.096 960 1HB GLU 114 HB2 GLU 114 215.458 -1.411 11.302 961 2HB GLU 114 HB1 GLU 114 217.197 -1.204 11.468 962 1HG GLU 114 HG2 GLU 114 216.204 1.150 12.470 963 2HG GLU 114 HG1 GLU 114 215.017 -0.040 13.002 964 H SER 115 HN SER 115 217.895 -1.586 9.357 965 HA SER 115 HA SER 115 216.803 -1.895 6.706 966 1HB SER 115 HB2 SER 115 218.602 -3.627 6.446 967 2HB SER 115 HB1 SER 115 219.193 -2.029 6.906 968 HG SER 115 HG SER 115 219.969 -4.018 8.095 969 H VAL 116 HN VAL 116 215.691 -3.006 9.539 970 HA VAL 116 HA VAL 116 214.791 -5.553 8.393 971 HB VAL 116 HB VAL 116 214.098 -5.434 11.147 972 1HG1 VAL 116 HG11 VAL 116 215.980 -7.083 9.495 973 2HG1 VAL 116 HG12 VAL 116 214.403 -7.519 10.155 974 3HG1 VAL 116 HG13 VAL 116 215.795 -7.359 11.227 975 1HG2 VAL 116 HG21 VAL 116 216.442 -5.406 12.112 976 2HG2 VAL 116 HG22 VAL 116 215.771 -3.843 11.651 977 3HG2 VAL 116 HG23 VAL 116 216.951 -4.637 10.610 978 H TYR 117 HN TYR 117 212.538 -6.069 8.843 979 HA TYR 117 HA TYR 117 210.812 -3.943 8.231 980 1HB TYR 117 HB2 TYR 117 210.113 -6.143 7.632 981 2HB TYR 117 HB1 TYR 117 210.272 -6.720 9.290 982 HD1 TYR 117 HD1 TYR 117 208.170 -7.335 10.047 983 HD2 TYR 117 HD2 TYR 117 208.594 -3.716 7.859 984 HE1 TYR 117 HE1 TYR 117 205.809 -6.806 10.475 985 HE2 TYR 117 HE2 TYR 117 206.234 -3.181 8.268 986 HH TYR 117 HH TYR 117 204.143 -4.360 8.815 987 H GLY 118 HN GLY 118 211.729 -2.511 9.997 988 1HA GLY 118 HA2 GLY 118 211.312 -1.301 11.902 989 2HA GLY 118 HA1 GLY 118 209.782 -2.161 12.012 990 H LEU 119 HN LEU 119 210.078 -4.524 12.684 991 HA LEU 119 HA LEU 119 210.496 -4.991 15.189 992 1HB LEU 119 HB2 LEU 119 211.390 -6.659 12.873 993 2HB LEU 119 HB1 LEU 119 211.618 -7.235 14.518 994 HG LEU 119 HG LEU 119 208.906 -6.268 14.049 995 1HD1 LEU 119 HD11 LEU 119 209.271 -8.867 12.731 996 2HD1 LEU 119 HD12 LEU 119 209.901 -7.485 11.834 997 3HD1 LEU 119 HD13 LEU 119 208.204 -7.523 12.320 998 1HD2 LEU 119 HD21 LEU 119 209.996 -8.922 14.967 999 2HD2 LEU 119 HD22 LEU 119 208.335 -8.353 15.139 1000 3HD2 LEU 119 HD23 LEU 119 209.641 -7.542 16.007 Start of MODEL 2 1 1H GLY 1 HT1 GLY 1 210.201 -14.444 7.710 2 2H GLY 1 HT2 GLY 1 208.982 -14.029 6.613 3 3H GLY 1 HT3 GLY 1 208.605 -14.928 7.995 4 1HA GLY 1 HA1 GLY 1 209.719 -12.793 9.129 5 2HA GLY 1 HA2 GLY 1 209.017 -12.070 7.688 6 H SER 2 HN SER 2 207.789 -10.942 9.467 7 HA SER 2 HA SER 2 205.188 -12.154 9.669 8 1HB SER 2 HB2 SER 2 206.549 -13.031 11.657 9 2HB SER 2 HB1 SER 2 206.501 -11.378 12.270 10 HG SER 2 HG SER 2 204.133 -11.596 11.977 11 H MET 3 HN MET 3 204.616 -10.325 8.431 12 HA MET 3 HA MET 3 205.092 -7.683 9.452 13 1HB MET 3 HB2 MET 3 203.530 -8.741 7.109 14 2HB MET 3 HB1 MET 3 203.510 -7.039 7.548 15 1HG MET 3 HG2 MET 3 206.109 -7.291 7.454 16 2HG MET 3 HG1 MET 3 205.728 -8.686 6.449 17 1HE MET 3 HE1 MET 3 206.850 -5.148 6.110 18 2HE MET 3 HE2 MET 3 205.336 -4.892 6.984 19 3HE MET 3 HE3 MET 3 205.512 -4.294 5.336 20 H LYS 4 HN LYS 4 203.468 -6.165 10.035 21 HA LYS 4 HA LYS 4 200.912 -7.293 10.920 22 1HB LYS 4 HB2 LYS 4 203.065 -6.178 12.613 23 2HB LYS 4 HB1 LYS 4 201.440 -5.608 12.977 24 1HG LYS 4 HG2 LYS 4 201.705 -7.446 14.366 25 2HG LYS 4 HG1 LYS 4 200.789 -8.089 13.001 26 1HD LYS 4 HD2 LYS 4 202.362 -9.638 12.731 27 2HD LYS 4 HD1 LYS 4 203.505 -8.358 12.321 28 1HE LYS 4 HE2 LYS 4 202.924 -9.393 15.095 29 2HE LYS 4 HE1 LYS 4 204.351 -9.768 14.129 30 1HZ LYS 4 HZ1 LYS 4 204.345 -7.850 15.912 31 2HZ LYS 4 HZ2 LYS 4 203.745 -6.950 14.612 32 3HZ LYS 4 HZ3 LYS 4 205.241 -7.725 14.482 33 H PHE 5 HN PHE 5 199.517 -6.156 9.713 34 HA PHE 5 HA PHE 5 199.890 -3.236 9.541 35 1HB PHE 5 HB2 PHE 5 198.669 -5.200 7.608 36 2HB PHE 5 HB1 PHE 5 198.365 -3.469 7.493 37 HD1 PHE 5 HD1 PHE 5 201.412 -5.522 8.150 38 HD2 PHE 5 HD2 PHE 5 199.536 -2.545 5.761 39 HE1 PHE 5 HE1 PHE 5 203.486 -5.246 6.871 40 HE2 PHE 5 HE2 PHE 5 201.612 -2.268 4.472 41 HZ PHE 5 HZ PHE 5 203.594 -3.621 5.026 42 H VAL 6 HN VAL 6 197.605 -2.242 8.863 43 HA VAL 6 HA VAL 6 195.465 -3.378 10.486 44 HB VAL 6 HB VAL 6 195.239 -0.664 11.050 45 1HG1 VAL 6 HG11 VAL 6 194.593 -2.384 12.571 46 2HG1 VAL 6 HG12 VAL 6 195.795 -1.375 13.375 47 3HG1 VAL 6 HG13 VAL 6 196.257 -2.948 12.726 48 1HG2 VAL 6 HG21 VAL 6 197.426 -0.047 10.510 49 2HG2 VAL 6 HG22 VAL 6 198.114 -1.513 11.209 50 3HG2 VAL 6 HG23 VAL 6 197.450 -0.262 12.259 51 H TYR 7 HN TYR 7 195.950 -0.169 8.992 52 HA TYR 7 HA TYR 7 193.439 0.101 7.919 53 1HB TYR 7 HB2 TYR 7 195.370 1.794 7.929 54 2HB TYR 7 HB1 TYR 7 195.879 1.040 6.421 55 HD1 TYR 7 HD1 TYR 7 192.782 2.454 7.967 56 HD2 TYR 7 HD2 TYR 7 195.134 1.982 4.451 57 HE1 TYR 7 HE1 TYR 7 191.205 3.875 6.729 58 HE2 TYR 7 HE2 TYR 7 193.563 3.404 3.205 59 HH TYR 7 HH TYR 7 191.500 5.433 4.485 60 H LYS 8 HN LYS 8 196.250 -1.477 6.461 61 HA LYS 8 HA LYS 8 194.882 -2.187 4.049 62 1HB LYS 8 HB2 LYS 8 196.943 -2.800 3.326 63 2HB LYS 8 HB1 LYS 8 197.518 -2.039 4.803 64 1HG LYS 8 HG2 LYS 8 198.574 -4.093 4.825 65 2HG LYS 8 HG1 LYS 8 197.181 -4.370 5.867 66 1HD LYS 8 HD2 LYS 8 196.131 -5.040 3.480 67 2HD LYS 8 HD1 LYS 8 197.819 -5.473 3.204 68 1HE LYS 8 HE2 LYS 8 196.470 -6.343 5.721 69 2HE LYS 8 HE1 LYS 8 196.146 -7.212 4.221 70 1HZ LYS 8 HZ1 LYS 8 198.770 -7.154 4.113 71 2HZ LYS 8 HZ2 LYS 8 197.938 -8.371 4.943 72 3HZ LYS 8 HZ3 LYS 8 198.603 -7.069 5.794 73 H GLU 9 HN GLU 9 195.466 -3.651 7.165 74 HA GLU 9 HA GLU 9 194.618 -6.270 6.470 75 1HB GLU 9 HB2 GLU 9 195.597 -4.906 8.815 76 2HB GLU 9 HB1 GLU 9 194.239 -5.944 9.222 77 1HG GLU 9 HG2 GLU 9 195.998 -7.360 7.483 78 2HG GLU 9 HG1 GLU 9 196.929 -6.666 8.810 79 H GLU 10 HN GLU 10 193.094 -3.808 8.537 80 HA GLU 10 HA GLU 10 190.652 -4.947 8.949 81 1HB GLU 10 HB2 GLU 10 191.268 -2.030 8.460 82 2HB GLU 10 HB1 GLU 10 189.754 -2.625 9.128 83 1HG GLU 10 HG2 GLU 10 191.230 -3.730 10.922 84 2HG GLU 10 HG1 GLU 10 192.481 -2.627 10.354 85 H HIS 11 HN HIS 11 191.272 -2.571 6.345 86 HA HIS 11 HA HIS 11 188.886 -2.729 5.000 87 1HB HIS 11 HB2 HIS 11 191.674 -2.123 4.206 88 2HB HIS 11 HB1 HIS 11 190.560 -2.496 2.894 89 HD1 HIS 11 HD1 HIS 11 191.370 0.101 5.426 90 HD2 HIS 11 HD2 HIS 11 188.476 -0.618 2.533 91 HE1 HIS 11 HE1 HIS 11 190.150 2.281 5.139 92 HE2 HIS 11 HE2 HIS 11 188.343 1.795 3.452 93 HA PRO 12 HA PRO 12 188.762 -7.242 4.291 94 1HB PRO 12 HB2 PRO 12 186.557 -6.497 2.527 95 2HB PRO 12 HB1 PRO 12 186.553 -7.547 3.941 96 1HG PRO 12 HG2 PRO 12 185.635 -4.859 3.760 97 2HG PRO 12 HG1 PRO 12 185.686 -5.894 5.190 98 1HD PRO 12 HD2 PRO 12 187.237 -3.597 4.726 99 2HD PRO 12 HD1 PRO 12 187.478 -4.798 6.004 100 H PHE 13 HN PHE 13 188.550 -8.544 2.241 101 HA PHE 13 HA PHE 13 190.448 -7.600 0.342 102 1HB PHE 13 HB2 PHE 13 190.005 -10.029 1.077 103 2HB PHE 13 HB1 PHE 13 188.666 -9.990 -0.064 104 HD1 PHE 13 HD1 PHE 13 189.201 -9.412 -2.495 105 HD2 PHE 13 HD2 PHE 13 192.164 -10.506 0.359 106 HE1 PHE 13 HE1 PHE 13 190.739 -10.010 -4.319 107 HE2 PHE 13 HE2 PHE 13 193.704 -11.102 -1.461 108 HZ PHE 13 HZ PHE 13 192.991 -10.856 -3.803 109 H GLU 14 HN GLU 14 186.949 -8.086 0.316 110 HA GLU 14 HA GLU 14 186.479 -7.521 -2.379 111 1HB GLU 14 HB2 GLU 14 184.920 -8.073 -0.137 112 2HB GLU 14 HB1 GLU 14 184.396 -6.471 -0.641 113 1HG GLU 14 HG2 GLU 14 183.906 -7.297 -2.862 114 2HG GLU 14 HG1 GLU 14 184.515 -8.892 -2.426 115 H LYS 15 HN LYS 15 187.419 -5.477 0.200 116 HA LYS 15 HA LYS 15 186.528 -3.032 -1.064 117 1HB LYS 15 HB2 LYS 15 188.399 -3.253 1.287 118 2HB LYS 15 HB1 LYS 15 187.330 -1.923 0.865 119 1HG LYS 15 HG2 LYS 15 186.134 -4.570 1.459 120 2HG LYS 15 HG1 LYS 15 186.740 -3.582 2.785 121 1HD LYS 15 HD2 LYS 15 185.108 -2.057 2.573 122 2HD LYS 15 HD1 LYS 15 185.114 -2.157 0.806 123 1HE LYS 15 HE2 LYS 15 183.258 -3.358 0.909 124 2HE LYS 15 HE1 LYS 15 184.167 -4.627 1.727 125 1HZ LYS 15 HZ1 LYS 15 182.307 -2.682 2.817 126 2HZ LYS 15 HZ2 LYS 15 183.680 -2.984 3.758 127 3HZ LYS 15 HZ3 LYS 15 182.651 -4.257 3.330 128 H ARG 16 HN ARG 16 189.681 -4.373 -0.079 129 HA ARG 16 HA ARG 16 191.263 -2.510 -1.435 130 1HB ARG 16 HB2 ARG 16 191.828 -5.385 -0.707 131 2HB ARG 16 HB1 ARG 16 193.046 -4.265 -1.299 132 1HG ARG 16 HG2 ARG 16 192.807 -2.882 0.635 133 2HG ARG 16 HG1 ARG 16 191.414 -3.816 1.188 134 1HD ARG 16 HD2 ARG 16 193.262 -4.548 2.473 135 2HD ARG 16 HD1 ARG 16 192.942 -5.816 1.290 136 HE ARG 16 HE ARG 16 194.924 -3.893 0.464 137 1HH1 ARG 16 HH11 ARG 16 194.352 -6.899 2.144 138 2HH1 ARG 16 HH12 ARG 16 195.971 -7.473 1.925 139 1HH2 ARG 16 HH21 ARG 16 197.052 -4.648 0.175 140 2HH2 ARG 16 HH22 ARG 16 197.504 -6.196 0.808 141 H ARG 17 HN ARG 17 189.880 -5.589 -2.472 142 HA ARG 17 HA ARG 17 191.142 -5.672 -5.009 143 1HB ARG 17 HB2 ARG 17 189.772 -7.493 -3.643 144 2HB ARG 17 HB1 ARG 17 188.443 -6.882 -4.618 145 1HG ARG 17 HG2 ARG 17 190.075 -7.258 -6.604 146 2HG ARG 17 HG1 ARG 17 190.909 -8.327 -5.473 147 1HD ARG 17 HD2 ARG 17 189.036 -9.729 -5.253 148 2HD ARG 17 HD1 ARG 17 187.957 -8.540 -5.980 149 HE ARG 17 HE ARG 17 189.678 -9.066 -7.980 150 1HH1 ARG 17 HH11 ARG 17 187.803 -11.138 -5.888 151 2HH1 ARG 17 HH12 ARG 17 187.646 -12.396 -7.069 152 1HH2 ARG 17 HH21 ARG 17 189.471 -10.720 -9.533 153 2HH2 ARG 17 HH22 ARG 17 188.592 -12.159 -9.136 154 H SER 18 HN SER 18 187.916 -4.610 -3.962 155 HA SER 18 HA SER 18 186.886 -3.822 -6.385 156 1HB SER 18 HB2 SER 18 185.410 -3.848 -4.531 157 2HB SER 18 HB1 SER 18 186.447 -2.771 -3.592 158 HG SER 18 HG SER 18 185.229 -1.971 -6.018 159 H GLU 19 HN GLU 19 188.511 -1.745 -3.994 160 HA GLU 19 HA GLU 19 188.640 0.560 -5.555 161 1HB GLU 19 HB2 GLU 19 189.622 -0.327 -3.033 162 2HB GLU 19 HB1 GLU 19 190.937 0.459 -3.894 163 1HG GLU 19 HG2 GLU 19 189.919 2.494 -3.878 164 2HG GLU 19 HG1 GLU 19 188.298 1.805 -3.824 165 H GLY 20 HN GLY 20 191.022 -2.035 -5.117 166 1HA GLY 20 HA2 GLY 20 193.042 -0.953 -6.728 167 2HA GLY 20 HA1 GLY 20 192.834 -2.661 -6.375 168 H GLU 21 HN GLU 21 190.730 -3.524 -7.617 169 HA GLU 21 HA GLU 21 191.383 -3.808 -10.247 170 1HB GLU 21 HB2 GLU 21 189.853 -5.331 -9.384 171 2HB GLU 21 HB1 GLU 21 188.787 -4.073 -8.775 172 1HG GLU 21 HG2 GLU 21 187.731 -3.827 -10.742 173 2HG GLU 21 HG1 GLU 21 189.182 -4.152 -11.689 174 H LYS 22 HN LYS 22 189.749 -1.122 -8.774 175 HA LYS 22 HA LYS 22 188.860 -0.081 -11.342 176 1HB LYS 22 HB2 LYS 22 187.253 0.398 -9.755 177 2HB LYS 22 HB1 LYS 22 188.433 0.669 -8.482 178 1HG LYS 22 HG2 LYS 22 188.418 2.593 -10.731 179 2HG LYS 22 HG1 LYS 22 187.050 2.637 -9.617 180 1HD LYS 22 HD2 LYS 22 189.377 2.431 -8.034 181 2HD LYS 22 HD1 LYS 22 189.706 3.655 -9.263 182 1HE LYS 22 HE2 LYS 22 187.172 4.306 -8.489 183 2HE LYS 22 HE1 LYS 22 187.867 3.714 -6.981 184 1HZ LYS 22 HZ1 LYS 22 189.832 5.281 -7.844 185 2HZ LYS 22 HZ2 LYS 22 188.587 5.824 -6.837 186 3HZ LYS 22 HZ3 LYS 22 188.506 6.101 -8.503 187 H ILE 23 HN ILE 23 191.096 0.763 -8.740 188 HA ILE 23 HA ILE 23 192.150 3.105 -9.865 189 HB ILE 23 HB ILE 23 193.229 1.095 -7.904 190 1HG1 ILE 23 HG12 ILE 23 192.677 3.974 -7.335 191 2HG1 ILE 23 HG11 ILE 23 191.321 2.869 -7.524 192 1HG2 ILE 23 HG21 ILE 23 194.586 3.723 -8.304 193 2HG2 ILE 23 HG22 ILE 23 195.049 2.338 -9.291 194 3HG2 ILE 23 HG23 ILE 23 195.189 2.257 -7.538 195 1HD1 ILE 23 HD11 ILE 23 191.581 2.146 -5.457 196 2HD1 ILE 23 HD12 ILE 23 192.858 3.341 -5.236 197 3HD1 ILE 23 HD13 ILE 23 193.261 1.711 -5.776 198 H ARG 24 HN ARG 24 192.699 -0.250 -10.545 199 HA ARG 24 HA ARG 24 195.159 0.150 -11.989 200 1HB ARG 24 HB2 ARG 24 193.281 -2.217 -11.843 201 2HB ARG 24 HB1 ARG 24 194.853 -2.231 -12.634 202 1HG ARG 24 HG2 ARG 24 194.305 -1.848 -9.701 203 2HG ARG 24 HG1 ARG 24 195.045 -3.249 -10.472 204 1HD ARG 24 HD2 ARG 24 196.169 -0.503 -10.060 205 2HD ARG 24 HD1 ARG 24 196.849 -2.058 -9.591 206 HE ARG 24 HE ARG 24 197.248 -0.713 -12.049 207 1HH1 ARG 24 HH11 ARG 24 196.827 -3.912 -10.717 208 2HH1 ARG 24 HH12 ARG 24 197.691 -4.694 -11.996 209 1HH2 ARG 24 HH21 ARG 24 198.386 -1.741 -13.730 210 2HH2 ARG 24 HH22 ARG 24 198.577 -3.462 -13.706 211 H LYS 25 HN LYS 25 191.751 -0.319 -12.738 212 HA LYS 25 HA LYS 25 192.116 -0.371 -15.576 213 1HB LYS 25 HB2 LYS 25 189.671 0.006 -13.852 214 2HB LYS 25 HB1 LYS 25 189.636 -0.234 -15.597 215 1HG LYS 25 HG2 LYS 25 190.527 -2.437 -15.384 216 2HG LYS 25 HG1 LYS 25 190.846 -2.195 -13.663 217 1HD LYS 25 HD2 LYS 25 188.838 -3.544 -14.002 218 2HD LYS 25 HD1 LYS 25 188.440 -1.998 -13.249 219 1HE LYS 25 HE2 LYS 25 187.122 -1.416 -14.950 220 2HE LYS 25 HE1 LYS 25 188.361 -1.828 -16.136 221 1HZ LYS 25 HZ1 LYS 25 186.713 -3.309 -16.655 222 2HZ LYS 25 HZ2 LYS 25 186.200 -3.497 -15.054 223 3HZ LYS 25 HZ3 LYS 25 187.625 -4.242 -15.578 224 H LYS 26 HN LYS 26 191.106 2.029 -13.198 225 HA LYS 26 HA LYS 26 190.538 4.037 -15.137 226 1HB LYS 26 HB2 LYS 26 189.757 3.701 -12.610 227 2HB LYS 26 HB1 LYS 26 191.104 4.799 -12.336 228 1HG LYS 26 HG2 LYS 26 190.128 6.485 -13.653 229 2HG LYS 26 HG1 LYS 26 188.936 5.368 -14.325 230 1HD LYS 26 HD2 LYS 26 187.642 5.396 -12.437 231 2HD LYS 26 HD1 LYS 26 189.003 5.768 -11.379 232 1HE LYS 26 HE2 LYS 26 187.597 7.698 -11.473 233 2HE LYS 26 HE1 LYS 26 189.066 8.050 -12.381 234 1HZ LYS 26 HZ1 LYS 26 187.236 8.829 -13.644 235 2HZ LYS 26 HZ2 LYS 26 186.395 7.371 -13.476 236 3HZ LYS 26 HZ3 LYS 26 187.797 7.432 -14.419 237 H TYR 27 HN TYR 27 193.240 3.171 -13.098 238 HA TYR 27 HA TYR 27 194.850 5.234 -14.455 239 1HB TYR 27 HB2 TYR 27 195.668 4.238 -11.764 240 2HB TYR 27 HB1 TYR 27 195.948 5.807 -12.508 241 HD1 TYR 27 HD1 TYR 27 193.168 6.583 -13.222 242 HD2 TYR 27 HD2 TYR 27 194.713 4.753 -9.711 243 HE1 TYR 27 HE1 TYR 27 191.302 7.518 -11.922 244 HE2 TYR 27 HE2 TYR 27 192.852 5.677 -8.396 245 HH TYR 27 HH TYR 27 190.966 8.136 -9.368 246 HA PRO 28 HA PRO 28 196.757 1.239 -15.571 247 1HB PRO 28 HB2 PRO 28 197.596 2.618 -17.991 248 2HB PRO 28 HB1 PRO 28 196.501 1.245 -17.820 249 1HG PRO 28 HG2 PRO 28 195.665 3.714 -18.586 250 2HG PRO 28 HG1 PRO 28 194.638 2.582 -17.691 251 1HD PRO 28 HD2 PRO 28 196.194 4.932 -16.679 252 2HD PRO 28 HD1 PRO 28 194.545 4.410 -16.266 253 H ASP 29 HN ASP 29 198.007 4.418 -15.177 254 HA ASP 29 HA ASP 29 200.767 3.413 -15.332 255 1HB ASP 29 HB2 ASP 29 199.580 6.152 -15.661 256 2HB ASP 29 HB1 ASP 29 201.282 5.957 -15.252 257 H ARG 30 HN ARG 30 198.515 3.616 -13.074 258 HA ARG 30 HA ARG 30 200.392 4.541 -10.996 259 1HB ARG 30 HB2 ARG 30 197.396 4.796 -11.155 260 2HB ARG 30 HB1 ARG 30 198.267 4.961 -9.639 261 1HG ARG 30 HG2 ARG 30 199.529 6.625 -11.557 262 2HG ARG 30 HG1 ARG 30 197.790 6.911 -11.632 263 1HD ARG 30 HD2 ARG 30 197.794 7.180 -9.163 264 2HD ARG 30 HD1 ARG 30 199.552 7.068 -9.197 265 HE ARG 30 HE ARG 30 197.924 9.259 -10.276 266 1HH1 ARG 30 HH11 ARG 30 201.072 7.960 -9.481 267 2HH1 ARG 30 HH12 ARG 30 201.871 9.486 -9.639 268 1HH2 ARG 30 HH21 ARG 30 198.985 11.254 -10.489 269 2HH2 ARG 30 HH22 ARG 30 200.693 11.351 -10.214 270 H VAL 31 HN VAL 31 200.149 3.484 -8.894 271 HA VAL 31 HA VAL 31 198.949 0.813 -9.031 272 HB VAL 31 HB VAL 31 200.865 -0.224 -7.974 273 1HG1 VAL 31 HG11 VAL 31 201.902 -0.592 -9.921 274 2HG1 VAL 31 HG12 VAL 31 202.320 1.107 -10.133 275 3HG1 VAL 31 HG13 VAL 31 200.717 0.530 -10.590 276 1HG2 VAL 31 HG21 VAL 31 202.220 1.038 -6.734 277 2HG2 VAL 31 HG22 VAL 31 201.688 2.521 -7.529 278 3HG2 VAL 31 HG23 VAL 31 202.978 1.555 -8.240 279 HA PRO 32 HA PRO 32 197.377 2.409 -5.135 280 1HB PRO 32 HB2 PRO 32 195.999 0.165 -4.422 281 2HB PRO 32 HB1 PRO 32 195.380 1.370 -5.554 282 1HG PRO 32 HG2 PRO 32 196.663 -1.269 -6.109 283 2HG PRO 32 HG1 PRO 32 195.285 -0.502 -6.915 284 1HD PRO 32 HD2 PRO 32 197.781 -0.512 -7.975 285 2HD PRO 32 HD1 PRO 32 196.633 0.815 -8.242 286 H VAL 33 HN VAL 33 199.034 2.556 -3.731 287 HA VAL 33 HA VAL 33 200.217 0.075 -2.718 288 HB VAL 33 HB VAL 33 201.286 2.890 -2.581 289 1HG1 VAL 33 HG11 VAL 33 202.401 2.062 -0.806 290 2HG1 VAL 33 HG12 VAL 33 203.400 1.295 -2.040 291 3HG1 VAL 33 HG13 VAL 33 202.103 0.387 -1.266 292 1HG2 VAL 33 HG21 VAL 33 201.318 1.952 -4.835 293 2HG2 VAL 33 HG22 VAL 33 202.166 0.521 -4.238 294 3HG2 VAL 33 HG23 VAL 33 202.951 2.101 -4.186 295 H ILE 34 HN ILE 34 200.452 -0.313 -0.529 296 HA ILE 34 HA ILE 34 198.925 1.437 1.275 297 HB ILE 34 HB ILE 34 199.070 -1.583 1.487 298 1HG1 ILE 34 HG12 ILE 34 197.660 -0.954 -0.387 299 2HG1 ILE 34 HG11 ILE 34 196.634 -1.464 0.953 300 1HG2 ILE 34 HG21 ILE 34 197.036 -0.797 3.083 301 2HG2 ILE 34 HG22 ILE 34 198.131 0.573 3.261 302 3HG2 ILE 34 HG23 ILE 34 198.689 -1.054 3.646 303 1HD1 ILE 34 HD11 ILE 34 196.581 0.966 -0.491 304 2HD1 ILE 34 HD12 ILE 34 197.038 1.331 1.174 305 3HD1 ILE 34 HD13 ILE 34 195.544 0.452 0.842 306 H VAL 35 HN VAL 35 201.041 2.410 1.578 307 HA VAL 35 HA VAL 35 203.237 1.042 2.668 308 HB VAL 35 HB VAL 35 202.497 3.936 3.111 309 1HG1 VAL 35 HG11 VAL 35 204.974 2.332 3.561 310 2HG1 VAL 35 HG12 VAL 35 204.221 3.556 4.589 311 3HG1 VAL 35 HG13 VAL 35 205.100 4.040 3.137 312 1HG2 VAL 35 HG21 VAL 35 202.523 3.447 0.745 313 2HG2 VAL 35 HG22 VAL 35 204.081 2.635 0.900 314 3HG2 VAL 35 HG23 VAL 35 203.962 4.375 1.170 315 H GLU 36 HN GLU 36 204.022 0.944 4.804 316 HA GLU 36 HA GLU 36 202.119 1.484 6.967 317 1HB GLU 36 HB2 GLU 36 202.520 -1.064 5.892 318 2HB GLU 36 HB1 GLU 36 203.479 -1.058 7.359 319 1HG GLU 36 HG2 GLU 36 200.525 -0.559 7.088 320 2HG GLU 36 HG1 GLU 36 201.329 -1.898 7.905 321 H LYS 37 HN LYS 37 203.130 1.598 9.072 322 HA LYS 37 HA LYS 37 205.974 2.243 8.861 323 1HB LYS 37 HB2 LYS 37 204.226 3.833 9.913 324 2HB LYS 37 HB1 LYS 37 204.243 2.730 11.284 325 1HG LYS 37 HG2 LYS 37 206.933 3.320 10.670 326 2HG LYS 37 HG1 LYS 37 206.049 4.844 10.657 327 1HD LYS 37 HD2 LYS 37 206.828 4.487 12.881 328 2HD LYS 37 HD1 LYS 37 205.085 4.200 12.880 329 1HE LYS 37 HE2 LYS 37 205.322 1.932 13.147 330 2HE LYS 37 HE1 LYS 37 206.924 1.909 12.413 331 1HZ LYS 37 HZ1 LYS 37 206.227 2.088 15.146 332 2HZ LYS 37 HZ2 LYS 37 207.128 3.451 14.707 333 3HZ LYS 37 HZ3 LYS 37 207.758 1.902 14.453 334 H ALA 38 HN ALA 38 206.762 0.167 8.795 335 HA ALA 38 HA ALA 38 206.324 -2.105 10.042 336 1HB ALA 38 HB1 ALA 38 208.344 -1.451 8.662 337 2HB ALA 38 HB2 ALA 38 208.606 -2.642 9.937 338 3HB ALA 38 HB3 ALA 38 209.096 -0.959 10.187 339 HA PRO 39 HA PRO 39 205.935 -1.617 14.439 340 1HB PRO 39 HB2 PRO 39 207.105 -4.136 15.002 341 2HB PRO 39 HB1 PRO 39 205.384 -3.764 14.883 342 1HG PRO 39 HG2 PRO 39 207.190 -5.006 12.911 343 2HG PRO 39 HG1 PRO 39 205.441 -5.176 13.103 344 1HD PRO 39 HD2 PRO 39 206.571 -3.765 11.094 345 2HD PRO 39 HD1 PRO 39 204.994 -3.346 11.792 346 H LYS 40 HN LYS 40 207.326 -1.529 16.347 347 HA LYS 40 HA LYS 40 209.227 -1.000 17.466 348 1HB LYS 40 HB2 LYS 40 210.344 -2.778 15.322 349 2HB LYS 40 HB1 LYS 40 211.402 -1.987 16.480 350 1HG LYS 40 HG2 LYS 40 211.072 -3.951 17.564 351 2HG LYS 40 HG1 LYS 40 209.706 -3.043 18.211 352 1HD LYS 40 HD2 LYS 40 208.838 -4.194 15.788 353 2HD LYS 40 HD1 LYS 40 209.707 -5.458 16.658 354 1HE LYS 40 HE2 LYS 40 207.391 -5.542 17.285 355 2HE LYS 40 HE1 LYS 40 208.327 -4.955 18.658 356 1HZ LYS 40 HZ1 LYS 40 206.658 -3.344 16.809 357 2HZ LYS 40 HZ2 LYS 40 207.696 -2.670 17.962 358 3HZ LYS 40 HZ3 LYS 40 206.387 -3.620 18.457 359 H ALA 41 HN ALA 41 209.330 -0.351 13.981 360 HA ALA 41 HA ALA 41 211.427 1.230 13.549 361 1HB ALA 41 HB1 ALA 41 209.440 0.805 12.003 362 2HB ALA 41 HB2 ALA 41 210.240 2.375 11.880 363 3HB ALA 41 HB3 ALA 41 208.712 2.234 12.746 364 H ARG 42 HN ARG 42 212.285 3.067 14.258 365 HA ARG 42 HA ARG 42 210.979 4.452 16.451 366 1HB ARG 42 HB2 ARG 42 213.734 5.047 15.390 367 2HB ARG 42 HB1 ARG 42 213.099 5.348 17.001 368 1HG ARG 42 HG2 ARG 42 213.406 3.190 17.681 369 2HG ARG 42 HG1 ARG 42 213.247 2.536 16.050 370 1HD ARG 42 HD2 ARG 42 215.447 3.564 15.498 371 2HD ARG 42 HD1 ARG 42 215.606 4.028 17.190 372 HE ARG 42 HE ARG 42 215.167 1.370 17.336 373 1HH1 ARG 42 HH11 ARG 42 217.422 3.301 15.499 374 2HH1 ARG 42 HH12 ARG 42 218.641 2.072 15.468 375 1HH2 ARG 42 HH21 ARG 42 216.769 -0.248 17.294 376 2HH2 ARG 42 HH22 ARG 42 218.271 0.057 16.485 377 H ILE 43 HN ILE 43 209.891 4.764 13.923 378 HA ILE 43 HA ILE 43 210.406 7.609 13.352 379 HB ILE 43 HB ILE 43 209.272 6.930 11.100 380 1HG1 ILE 43 HG12 ILE 43 210.464 4.306 12.002 381 2HG1 ILE 43 HG11 ILE 43 208.743 4.633 11.823 382 1HG2 ILE 43 HG21 ILE 43 211.572 6.251 10.229 383 2HG2 ILE 43 HG22 ILE 43 212.116 6.429 11.899 384 3HG2 ILE 43 HG23 ILE 43 211.436 7.812 11.040 385 1HD1 ILE 43 HD11 ILE 43 210.754 3.984 9.819 386 2HD1 ILE 43 HD12 ILE 43 209.689 5.321 9.377 387 3HD1 ILE 43 HD13 ILE 43 209.006 3.747 9.806 388 H GLY 44 HN GLY 44 208.477 8.709 12.378 389 1HA GLY 44 HA2 GLY 44 206.284 8.542 14.154 390 2HA GLY 44 HA1 GLY 44 206.342 9.500 12.682 391 H ASP 45 HN ASP 45 204.257 7.695 13.964 392 HA ASP 45 HA ASP 45 203.923 5.558 12.050 393 1HB ASP 45 HB2 ASP 45 201.971 6.574 14.126 394 2HB ASP 45 HB1 ASP 45 201.888 5.038 13.268 395 H LEU 46 HN LEU 46 202.795 5.610 10.224 396 HA LEU 46 HA LEU 46 201.636 8.117 9.372 397 1HB LEU 46 HB2 LEU 46 202.798 5.810 8.126 398 2HB LEU 46 HB1 LEU 46 201.221 6.118 7.423 399 HG LEU 46 HG LEU 46 202.928 8.495 7.706 400 1HD1 LEU 46 HD11 LEU 46 204.147 7.827 5.565 401 2HD1 LEU 46 HD12 LEU 46 203.717 6.169 5.983 402 3HD1 LEU 46 HD13 LEU 46 204.717 7.124 7.078 403 1HD2 LEU 46 HD21 LEU 46 200.778 8.577 6.594 404 2HD2 LEU 46 HD22 LEU 46 201.288 7.319 5.467 405 3HD2 LEU 46 HD23 LEU 46 202.069 8.900 5.437 406 H ASP 47 HN ASP 47 199.519 8.447 8.730 407 HA ASP 47 HA ASP 47 197.590 6.396 9.603 408 1HB ASP 47 HB2 ASP 47 196.049 8.233 10.173 409 2HB ASP 47 HB1 ASP 47 197.545 8.334 11.096 410 H LYS 48 HN LYS 48 198.865 7.072 6.935 411 HA LYS 48 HA LYS 48 196.430 7.675 5.400 412 1HB LYS 48 HB2 LYS 48 198.273 9.187 4.932 413 2HB LYS 48 HB1 LYS 48 199.352 7.835 4.634 414 1HG LYS 48 HG2 LYS 48 197.700 7.218 2.753 415 2HG LYS 48 HG1 LYS 48 197.126 8.877 2.935 416 1HD LYS 48 HD2 LYS 48 199.938 9.027 2.868 417 2HD LYS 48 HD1 LYS 48 199.472 7.898 1.591 418 1HE LYS 48 HE2 LYS 48 199.531 10.103 0.660 419 2HE LYS 48 HE1 LYS 48 197.847 9.593 0.770 420 1HZ LYS 48 HZ1 LYS 48 198.134 10.825 3.104 421 2HZ LYS 48 HZ2 LYS 48 197.619 11.614 1.700 422 3HZ LYS 48 HZ3 LYS 48 199.237 11.717 2.181 423 H LYS 49 HN LYS 49 199.332 5.627 5.258 424 HA LYS 49 HA LYS 49 199.680 3.499 4.592 425 1HB LYS 49 HB2 LYS 49 196.776 3.437 5.251 426 2HB LYS 49 HB1 LYS 49 197.441 2.079 4.348 427 1HG LYS 49 HG2 LYS 49 199.101 2.803 6.609 428 2HG LYS 49 HG1 LYS 49 197.452 2.399 7.087 429 1HD LYS 49 HD2 LYS 49 197.957 0.425 5.308 430 2HD LYS 49 HD1 LYS 49 199.572 0.694 5.962 431 1HE LYS 49 HE2 LYS 49 197.073 -0.104 7.412 432 2HE LYS 49 HE1 LYS 49 198.613 -0.955 7.331 433 1HZ LYS 49 HZ1 LYS 49 199.361 1.360 8.422 434 2HZ LYS 49 HZ2 LYS 49 198.924 -0.003 9.323 435 3HZ LYS 49 HZ3 LYS 49 197.796 1.228 9.052 436 H LYS 50 HN LYS 50 196.653 4.499 2.958 437 HA LYS 50 HA LYS 50 197.332 3.180 0.547 438 1HB LYS 50 HB2 LYS 50 195.018 4.034 1.472 439 2HB LYS 50 HB1 LYS 50 195.434 5.489 0.577 440 1HG LYS 50 HG2 LYS 50 195.541 4.277 -1.480 441 2HG LYS 50 HG1 LYS 50 195.361 2.737 -0.637 442 1HD LYS 50 HD2 LYS 50 193.267 4.869 -0.405 443 2HD LYS 50 HD1 LYS 50 193.295 3.779 -1.792 444 1HE LYS 50 HE2 LYS 50 192.461 2.086 -0.602 445 2HE LYS 50 HE1 LYS 50 193.583 2.366 0.730 446 1HZ LYS 50 HZ1 LYS 50 191.423 4.291 0.454 447 2HZ LYS 50 HZ2 LYS 50 192.086 3.599 1.848 448 3HZ LYS 50 HZ3 LYS 50 190.963 2.732 0.927 449 H TYR 51 HN TYR 51 198.200 3.896 -1.330 450 HA TYR 51 HA TYR 51 198.935 6.689 -1.651 451 1HB TYR 51 HB2 TYR 51 200.945 4.459 -1.393 452 2HB TYR 51 HB1 TYR 51 201.315 5.947 -2.256 453 HD1 TYR 51 HD1 TYR 51 201.563 8.053 -1.053 454 HD2 TYR 51 HD2 TYR 51 200.722 4.432 1.003 455 HE1 TYR 51 HE1 TYR 51 202.200 9.119 1.067 456 HE2 TYR 51 HE2 TYR 51 201.350 5.485 3.135 457 HH TYR 51 HH TYR 51 203.120 7.879 3.545 458 H LEU 52 HN LEU 52 198.472 7.228 -3.680 459 HA LEU 52 HA LEU 52 198.298 5.100 -5.685 460 1HB LEU 52 HB2 LEU 52 196.554 7.098 -5.129 461 2HB LEU 52 HB1 LEU 52 197.493 7.856 -6.400 462 HG LEU 52 HG LEU 52 196.933 6.083 -7.950 463 1HD1 LEU 52 HD11 LEU 52 196.378 4.625 -5.563 464 2HD1 LEU 52 HD12 LEU 52 196.458 4.045 -7.226 465 3HD1 LEU 52 HD13 LEU 52 194.932 4.641 -6.573 466 1HD2 LEU 52 HD21 LEU 52 195.206 7.981 -7.031 467 2HD2 LEU 52 HD22 LEU 52 194.247 6.511 -6.865 468 3HD2 LEU 52 HD23 LEU 52 194.924 6.950 -8.432 469 H VAL 53 HN VAL 53 200.662 5.026 -5.650 470 HA VAL 53 HA VAL 53 202.021 7.241 -6.970 471 HB VAL 53 HB VAL 53 203.996 5.479 -6.751 472 1HG1 VAL 53 HG11 VAL 53 203.430 7.777 -5.567 473 2HG1 VAL 53 HG12 VAL 53 204.753 6.751 -5.014 474 3HG1 VAL 53 HG13 VAL 53 203.205 6.721 -4.171 475 1HG2 VAL 53 HG21 VAL 53 202.371 4.704 -4.354 476 2HG2 VAL 53 HG22 VAL 53 203.827 3.949 -5.001 477 3HG2 VAL 53 HG23 VAL 53 202.292 3.780 -5.853 478 HA PRO 54 HA PRO 54 201.983 5.688 -11.083 479 1HB PRO 54 HB2 PRO 54 204.923 6.123 -11.123 480 2HB PRO 54 HB1 PRO 54 203.678 6.750 -12.209 481 1HG PRO 54 HG2 PRO 54 204.833 8.324 -10.390 482 2HG PRO 54 HG1 PRO 54 203.107 8.474 -10.773 483 1HD PRO 54 HD2 PRO 54 204.424 7.223 -8.402 484 2HD PRO 54 HD1 PRO 54 202.914 8.153 -8.496 485 H SER 55 HN SER 55 203.652 4.273 -12.519 486 HA SER 55 HA SER 55 204.166 1.860 -10.913 487 1HB SER 55 HB2 SER 55 202.743 2.239 -13.371 488 2HB SER 55 HB1 SER 55 204.133 1.196 -13.668 489 HG SER 55 HG SER 55 202.587 -0.171 -12.989 490 H ASP 56 HN ASP 56 205.648 4.326 -12.696 491 HA ASP 56 HA ASP 56 208.041 2.717 -13.216 492 1HB ASP 56 HB2 ASP 56 207.484 5.568 -14.062 493 2HB ASP 56 HB1 ASP 56 208.788 4.529 -14.628 494 H LEU 57 HN LEU 57 206.681 4.759 -10.938 495 HA LEU 57 HA LEU 57 208.759 6.357 -10.058 496 1HB LEU 57 HB2 LEU 57 206.447 6.491 -9.233 497 2HB LEU 57 HB1 LEU 57 206.668 4.967 -8.391 498 HG LEU 57 HG LEU 57 208.713 6.342 -7.334 499 1HD1 LEU 57 HD11 LEU 57 208.130 8.620 -6.929 500 2HD1 LEU 57 HD12 LEU 57 206.589 8.427 -7.766 501 3HD1 LEU 57 HD13 LEU 57 208.101 8.343 -8.670 502 1HD2 LEU 57 HD21 LEU 57 206.957 7.014 -5.528 503 2HD2 LEU 57 HD22 LEU 57 207.289 5.312 -5.848 504 3HD2 LEU 57 HD23 LEU 57 205.853 6.074 -6.531 505 H THR 58 HN THR 58 210.760 5.775 -9.482 506 HA THR 58 HA THR 58 211.391 3.086 -8.744 507 HB THR 58 HB THR 58 213.680 3.965 -8.372 508 HG1 THR 58 HG1 THR 58 213.215 6.030 -7.669 509 1HG2 THR 58 HG21 THR 58 213.551 5.229 -10.824 510 2HG2 THR 58 HG22 THR 58 212.214 4.077 -10.849 511 3HG2 THR 58 HG23 THR 58 213.855 3.518 -10.526 512 H VAL 59 HN VAL 59 212.293 2.365 -6.812 513 HA VAL 59 HA VAL 59 210.883 2.971 -4.518 514 HB VAL 59 HB VAL 59 213.478 1.576 -5.015 515 1HG1 VAL 59 HG11 VAL 59 213.512 0.905 -2.605 516 2HG1 VAL 59 HG12 VAL 59 212.301 2.151 -2.296 517 3HG1 VAL 59 HG13 VAL 59 213.901 2.602 -2.887 518 1HG2 VAL 59 HG21 VAL 59 210.938 0.754 -5.248 519 2HG2 VAL 59 HG22 VAL 59 211.239 0.318 -3.566 520 3HG2 VAL 59 HG23 VAL 59 212.274 -0.324 -4.841 521 H GLY 60 HN GLY 60 213.856 4.370 -5.753 522 1HA GLY 60 HA2 GLY 60 214.663 5.759 -3.437 523 2HA GLY 60 HA1 GLY 60 215.067 6.208 -5.090 524 H GLN 61 HN GLN 61 212.328 6.480 -5.942 525 HA GLN 61 HA GLN 61 211.864 9.185 -5.098 526 1HB GLN 61 HB2 GLN 61 210.302 7.366 -6.926 527 2HB GLN 61 HB1 GLN 61 209.965 9.076 -6.680 528 1HG GLN 61 HG2 GLN 61 212.232 9.597 -7.466 529 2HG GLN 61 HG1 GLN 61 212.473 7.888 -7.814 530 1HE2 GLN 61 HE21 GLN 61 209.902 7.323 -8.802 531 2HE2 GLN 61 HE22 GLN 61 209.723 8.100 -10.336 532 H PHE 62 HN PHE 62 210.094 6.111 -4.882 533 HA PHE 62 HA PHE 62 207.844 6.933 -3.511 534 1HB PHE 62 HB2 PHE 62 208.446 4.595 -4.393 535 2HB PHE 62 HB1 PHE 62 209.257 4.356 -2.849 536 HD1 PHE 62 HD1 PHE 62 206.078 6.129 -3.569 537 HD2 PHE 62 HD2 PHE 62 207.959 2.772 -1.758 538 HE1 PHE 62 HE1 PHE 62 203.934 5.481 -2.557 539 HE2 PHE 62 HE2 PHE 62 205.816 2.118 -0.740 540 HZ PHE 62 HZ PHE 62 203.801 3.475 -1.143 541 H TYR 63 HN TYR 63 211.026 6.092 -2.226 542 HA TYR 63 HA TYR 63 210.509 6.193 0.499 543 1HB TYR 63 HB2 TYR 63 212.890 6.667 -1.218 544 2HB TYR 63 HB1 TYR 63 212.978 7.255 0.437 545 HD1 TYR 63 HD1 TYR 63 212.072 5.404 2.206 546 HD2 TYR 63 HD2 TYR 63 213.771 4.623 -1.607 547 HE1 TYR 63 HE1 TYR 63 212.711 3.156 2.963 548 HE2 TYR 63 HE2 TYR 63 214.414 2.365 -0.868 549 HH TYR 63 HH TYR 63 213.789 0.729 0.812 550 H PHE 64 HN PHE 64 212.040 8.757 -1.352 551 HA PHE 64 HA PHE 64 211.971 10.845 0.344 552 1HB PHE 64 HB2 PHE 64 212.998 11.254 -1.702 553 2HB PHE 64 HB1 PHE 64 211.615 10.682 -2.624 554 HD1 PHE 64 HD1 PHE 64 210.054 12.174 -3.475 555 HD2 PHE 64 HD2 PHE 64 212.784 13.474 -0.479 556 HE1 PHE 64 HE1 PHE 64 209.314 14.499 -3.812 557 HE2 PHE 64 HE2 PHE 64 212.048 15.799 -0.809 558 HZ PHE 64 HZ PHE 64 210.311 16.313 -2.477 559 H LEU 65 HN LEU 65 209.174 9.682 -1.506 560 HA LEU 65 HA LEU 65 207.498 11.850 -0.753 561 1HB LEU 65 HB2 LEU 65 206.128 10.984 -2.266 562 2HB LEU 65 HB1 LEU 65 207.379 9.798 -2.586 563 HG LEU 65 HG LEU 65 206.304 8.422 -0.741 564 1HD1 LEU 65 HD11 LEU 65 203.741 9.746 -1.365 565 2HD1 LEU 65 HD12 LEU 65 204.826 10.631 -0.290 566 3HD1 LEU 65 HD13 LEU 65 204.296 9.002 0.134 567 1HD2 LEU 65 HD21 LEU 65 204.881 7.347 -2.293 568 2HD2 LEU 65 HD22 LEU 65 206.184 8.060 -3.246 569 3HD2 LEU 65 HD23 LEU 65 204.605 8.842 -3.186 570 H ILE 66 HN ILE 66 208.087 8.625 0.533 571 HA ILE 66 HA ILE 66 206.067 8.822 2.558 572 HB ILE 66 HB ILE 66 208.381 6.914 2.224 573 1HG1 ILE 66 HG12 ILE 66 206.739 6.689 0.462 574 2HG1 ILE 66 HG11 ILE 66 206.594 5.320 1.560 575 1HG2 ILE 66 HG21 ILE 66 206.654 5.591 3.819 576 2HG2 ILE 66 HG22 ILE 66 206.421 7.241 4.398 577 3HG2 ILE 66 HG23 ILE 66 208.031 6.519 4.416 578 1HD1 ILE 66 HD11 ILE 66 204.613 6.185 2.514 579 2HD1 ILE 66 HD12 ILE 66 204.440 6.323 0.765 580 3HD1 ILE 66 HD13 ILE 66 204.832 7.747 1.727 581 H ARG 67 HN ARG 67 209.523 9.401 2.338 582 HA ARG 67 HA ARG 67 210.281 9.549 4.966 583 1HB ARG 67 HB2 ARG 67 211.243 10.591 2.438 584 2HB ARG 67 HB1 ARG 67 211.577 11.711 3.750 585 1HG ARG 67 HG2 ARG 67 213.266 10.463 4.452 586 2HG ARG 67 HG1 ARG 67 212.226 9.043 4.575 587 1HD ARG 67 HD2 ARG 67 212.570 8.588 2.207 588 2HD ARG 67 HD1 ARG 67 213.581 10.028 2.074 589 HE ARG 67 HE ARG 67 214.506 8.175 4.057 590 1HH1 ARG 67 HH11 ARG 67 214.557 8.956 0.656 591 2HH1 ARG 67 HH12 ARG 67 216.058 8.142 0.364 592 1HH2 ARG 67 HH21 ARG 67 216.480 7.105 3.675 593 2HH2 ARG 67 HH22 ARG 67 217.150 7.091 2.077 594 H LYS 68 HN LYS 68 208.862 12.217 3.051 595 HA LYS 68 HA LYS 68 208.859 14.097 5.150 596 1HB LYS 68 HB2 LYS 68 206.957 13.926 2.812 597 2HB LYS 68 HB1 LYS 68 207.263 15.345 3.805 598 1HG LYS 68 HG2 LYS 68 209.388 15.664 2.913 599 2HG LYS 68 HG1 LYS 68 209.473 14.013 2.290 600 1HD LYS 68 HD2 LYS 68 207.220 15.504 1.216 601 2HD LYS 68 HD1 LYS 68 208.773 16.262 0.850 602 1HE LYS 68 HE2 LYS 68 209.586 14.235 -0.154 603 2HE LYS 68 HE1 LYS 68 208.151 13.359 0.374 604 1HZ LYS 68 HZ1 LYS 68 206.824 14.856 -1.055 605 2HZ LYS 68 HZ2 LYS 68 207.912 13.897 -1.924 606 3HZ LYS 68 HZ3 LYS 68 208.260 15.529 -1.646 607 H ARG 69 HN ARG 69 206.400 11.804 4.028 608 HA ARG 69 HA ARG 69 204.290 12.517 5.664 609 1HB ARG 69 HB2 ARG 69 205.082 9.685 4.971 610 2HB ARG 69 HB1 ARG 69 203.477 10.246 5.419 611 1HG ARG 69 HG2 ARG 69 204.584 11.674 3.140 612 2HG ARG 69 HG1 ARG 69 204.421 9.939 2.864 613 1HD ARG 69 HD2 ARG 69 202.183 10.022 2.847 614 2HD ARG 69 HD1 ARG 69 202.114 11.193 4.165 615 HE ARG 69 HE ARG 69 202.095 11.745 1.339 616 1HH1 ARG 69 HH11 ARG 69 202.772 13.039 4.509 617 2HH1 ARG 69 HH12 ARG 69 202.565 14.686 4.017 618 1HH2 ARG 69 HH21 ARG 69 201.822 13.909 0.692 619 2HH2 ARG 69 HH22 ARG 69 202.025 15.181 1.851 620 H ILE 70 HN ILE 70 207.297 11.069 6.516 621 HA ILE 70 HA ILE 70 206.340 10.535 9.248 622 HB ILE 70 HB ILE 70 208.900 9.432 9.055 623 1HG1 ILE 70 HG12 ILE 70 207.364 8.316 6.742 624 2HG1 ILE 70 HG11 ILE 70 208.383 9.728 6.500 625 1HG2 ILE 70 HG21 ILE 70 206.460 8.695 9.954 626 2HG2 ILE 70 HG22 ILE 70 207.859 7.627 9.875 627 3HG2 ILE 70 HG23 ILE 70 206.659 7.603 8.584 628 1HD1 ILE 70 HD11 ILE 70 210.269 8.555 6.629 629 2HD1 ILE 70 HD12 ILE 70 209.222 7.188 6.249 630 3HD1 ILE 70 HD13 ILE 70 209.666 7.521 7.924 631 H HIS 71 HN HIS 71 207.868 12.837 7.520 632 HA HIS 71 HA HIS 71 208.976 14.711 8.108 633 1HB HIS 71 HB2 HIS 71 209.222 13.609 10.912 634 2HB HIS 71 HB1 HIS 71 209.376 15.288 10.405 635 HD1 HIS 71 HD1 HIS 71 207.456 15.274 12.465 636 HD2 HIS 71 HD2 HIS 71 206.334 14.009 8.669 637 HE1 HIS 71 HE1 HIS 71 204.949 15.462 12.407 638 HE2 HIS 71 HE2 HIS 71 204.287 14.625 10.124 639 H LEU 72 HN LEU 72 210.273 12.948 6.786 640 HA LEU 72 HA LEU 72 212.952 12.814 8.004 641 1HB LEU 72 HB2 LEU 72 211.767 10.981 5.936 642 2HB LEU 72 HB1 LEU 72 213.378 10.852 6.620 643 HG LEU 72 HG LEU 72 210.738 10.137 7.817 644 1HD1 LEU 72 HD11 LEU 72 213.264 8.721 8.411 645 2HD1 LEU 72 HD12 LEU 72 212.675 8.651 6.750 646 3HD1 LEU 72 HD13 LEU 72 211.653 8.083 8.072 647 1HD2 LEU 72 HD21 LEU 72 211.259 11.331 9.662 648 2HD2 LEU 72 HD22 LEU 72 212.974 11.409 9.263 649 3HD2 LEU 72 HD23 LEU 72 212.305 9.950 9.990 650 H ARG 73 HN ARG 73 214.308 14.212 7.106 651 HA ARG 73 HA ARG 73 213.680 15.406 4.545 652 1HB ARG 73 HB2 ARG 73 215.820 16.742 5.081 653 2HB ARG 73 HB1 ARG 73 214.387 17.015 6.061 654 1HG ARG 73 HG2 ARG 73 216.530 16.866 7.327 655 2HG ARG 73 HG1 ARG 73 215.278 15.750 7.861 656 1HD ARG 73 HD2 ARG 73 216.344 13.933 6.713 657 2HD ARG 73 HD1 ARG 73 217.519 15.033 5.993 658 HE ARG 73 HE ARG 73 218.731 14.926 7.924 659 1HH1 ARG 73 HH11 ARG 73 215.477 13.874 8.614 660 2HH1 ARG 73 HH12 ARG 73 215.844 13.391 10.235 661 1HH2 ARG 73 HH21 ARG 73 219.214 14.293 10.055 662 2HH2 ARG 73 HH22 ARG 73 217.964 13.631 11.054 663 H ALA 74 HN ALA 74 214.307 12.735 4.177 664 HA ALA 74 HA ALA 74 215.475 11.500 2.652 665 1HB ALA 74 HB1 ALA 74 215.905 13.983 1.728 666 2HB ALA 74 HB2 ALA 74 216.611 12.537 1.005 667 3HB ALA 74 HB3 ALA 74 217.560 13.515 2.126 668 H GLU 75 HN GLU 75 217.599 13.487 4.751 669 HA GLU 75 HA GLU 75 219.667 11.528 4.761 670 1HB GLU 75 HB2 GLU 75 219.129 14.036 6.258 671 2HB GLU 75 HB1 GLU 75 220.326 12.921 6.894 672 1HG GLU 75 HG2 GLU 75 220.884 13.176 4.167 673 2HG GLU 75 HG1 GLU 75 220.540 14.805 4.749 674 H ASP 76 HN ASP 76 216.787 12.018 6.613 675 HA ASP 76 HA ASP 76 217.462 10.520 8.903 676 1HB ASP 76 HB2 ASP 76 215.277 11.968 8.129 677 2HB ASP 76 HB1 ASP 76 214.664 10.320 8.040 678 H ALA 77 HN ALA 77 216.749 8.384 9.471 679 HA ALA 77 HA ALA 77 217.319 6.506 7.391 680 1HB ALA 77 HB1 ALA 77 216.977 4.806 9.170 681 2HB ALA 77 HB2 ALA 77 216.568 6.117 10.278 682 3HB ALA 77 HB3 ALA 77 218.179 6.035 9.565 683 H LEU 78 HN LEU 78 216.011 5.140 6.381 684 HA LEU 78 HA LEU 78 213.342 4.557 7.121 685 1HB LEU 78 HB2 LEU 78 212.943 6.828 6.375 686 2HB LEU 78 HB1 LEU 78 213.755 6.502 4.857 687 HG LEU 78 HG LEU 78 211.957 4.795 4.379 688 1HD1 LEU 78 HD11 LEU 78 210.914 5.967 6.922 689 2HD1 LEU 78 HD12 LEU 78 210.990 4.280 6.413 690 3HD1 LEU 78 HD13 LEU 78 209.802 5.365 5.692 691 1HD2 LEU 78 HD21 LEU 78 210.444 6.401 3.525 692 2HD2 LEU 78 HD22 LEU 78 212.039 7.154 3.487 693 3HD2 LEU 78 HD23 LEU 78 210.890 7.583 4.756 694 H PHE 79 HN PHE 79 213.160 2.529 6.459 695 HA PHE 79 HA PHE 79 214.153 1.829 3.778 696 1HB PHE 79 HB2 PHE 79 214.275 0.011 6.194 697 2HB PHE 79 HB1 PHE 79 214.900 -0.329 4.585 698 HD1 PHE 79 HD1 PHE 79 215.337 1.876 7.529 699 HD2 PHE 79 HD2 PHE 79 217.076 0.267 3.995 700 HE1 PHE 79 HE1 PHE 79 217.523 2.786 8.196 701 HE2 PHE 79 HE2 PHE 79 219.266 1.175 4.655 702 HZ PHE 79 HZ PHE 79 219.491 2.436 6.759 703 H PHE 80 HN PHE 80 212.685 0.862 2.512 704 HA PHE 80 HA PHE 80 210.055 0.370 3.576 705 1HB PHE 80 HB2 PHE 80 211.222 0.230 0.801 706 2HB PHE 80 HB1 PHE 80 209.577 -0.290 1.147 707 HD1 PHE 80 HD1 PHE 80 209.066 1.899 3.277 708 HD2 PHE 80 HD2 PHE 80 210.628 1.990 -0.681 709 HE1 PHE 80 HE1 PHE 80 208.292 4.218 3.031 710 HE2 PHE 80 HE2 PHE 80 209.854 4.310 -0.934 711 HZ PHE 80 HZ PHE 80 208.685 5.426 0.923 712 H PHE 81 HN PHE 81 208.997 -1.581 3.725 713 HA PHE 81 HA PHE 81 210.587 -3.985 3.178 714 1HB PHE 81 HB2 PHE 81 209.040 -3.413 5.711 715 2HB PHE 81 HB1 PHE 81 209.754 -4.972 5.303 716 HD1 PHE 81 HD1 PHE 81 210.408 -1.553 6.381 717 HD2 PHE 81 HD2 PHE 81 212.158 -5.288 5.330 718 HE1 PHE 81 HE1 PHE 81 212.550 -0.823 7.357 719 HE2 PHE 81 HE2 PHE 81 214.298 -4.568 6.312 720 HZ PHE 81 HZ PHE 81 214.501 -2.332 7.318 721 H VAL 82 HN VAL 82 209.433 -4.587 1.405 722 HA VAL 82 HA VAL 82 206.534 -4.882 1.640 723 HB VAL 82 HB VAL 82 208.028 -5.561 -0.836 724 1HG1 VAL 82 HG11 VAL 82 205.275 -4.689 -0.117 725 2HG1 VAL 82 HG12 VAL 82 205.794 -6.069 -1.082 726 3HG1 VAL 82 HG13 VAL 82 205.874 -4.440 -1.757 727 1HG2 VAL 82 HG21 VAL 82 207.983 -2.941 0.391 728 2HG2 VAL 82 HG22 VAL 82 207.239 -2.935 -1.207 729 3HG2 VAL 82 HG23 VAL 82 208.893 -3.513 -1.006 730 H ASN 83 HN ASN 83 205.803 -6.764 2.384 731 HA ASN 83 HA ASN 83 205.592 -9.001 2.774 732 1HB ASN 83 HB2 ASN 83 207.519 -9.430 0.481 733 2HB ASN 83 HB1 ASN 83 206.325 -10.565 1.104 734 1HD2 ASN 83 HD21 ASN 83 206.074 -10.372 -1.405 735 2HD2 ASN 83 HD22 ASN 83 204.817 -9.303 -1.914 736 H ASN 84 HN ASN 84 207.622 -7.355 3.997 737 HA ASN 84 HA ASN 84 209.218 -7.595 5.587 738 1HB ASN 84 HB2 ASN 84 209.173 -10.542 4.885 739 2HB ASN 84 HB1 ASN 84 209.985 -9.829 6.273 740 1HD2 ASN 84 HD21 ASN 84 207.193 -11.266 5.177 741 2HD2 ASN 84 HD22 ASN 84 206.147 -10.851 6.487 742 H VAL 85 HN VAL 85 209.732 -7.213 2.647 743 HA VAL 85 HA VAL 85 212.604 -7.856 2.728 744 HB VAL 85 HB VAL 85 211.015 -7.864 0.184 745 1HG1 VAL 85 HG11 VAL 85 213.181 -7.672 -0.480 746 2HG1 VAL 85 HG12 VAL 85 213.096 -9.427 -0.323 747 3HG1 VAL 85 HG13 VAL 85 213.809 -8.460 0.967 748 1HG2 VAL 85 HG21 VAL 85 211.812 -10.317 1.737 749 2HG2 VAL 85 HG22 VAL 85 210.855 -10.244 0.257 750 3HG2 VAL 85 HG23 VAL 85 210.192 -9.620 1.767 751 H ILE 86 HN ILE 86 213.974 -6.368 1.724 752 HA ILE 86 HA ILE 86 212.867 -3.685 1.516 753 HB ILE 86 HB ILE 86 215.739 -4.598 1.507 754 1HG1 ILE 86 HG12 ILE 86 213.808 -3.831 3.647 755 2HG1 ILE 86 HG11 ILE 86 215.072 -5.055 3.666 756 1HG2 ILE 86 HG21 ILE 86 216.289 -2.248 1.857 757 2HG2 ILE 86 HG22 ILE 86 214.579 -1.824 1.770 758 3HG2 ILE 86 HG23 ILE 86 215.403 -2.462 0.347 759 1HD1 ILE 86 HD11 ILE 86 215.504 -2.088 3.847 760 2HD1 ILE 86 HD12 ILE 86 216.756 -3.328 3.908 761 3HD1 ILE 86 HD13 ILE 86 215.553 -3.226 5.191 762 HA PRO 87 HA PRO 87 212.944 -4.248 -2.959 763 1HB PRO 87 HB2 PRO 87 211.779 -1.874 -3.570 764 2HB PRO 87 HB1 PRO 87 210.859 -3.276 -3.013 765 1HG PRO 87 HG2 PRO 87 211.794 -0.887 -1.469 766 2HG PRO 87 HG1 PRO 87 210.225 -1.711 -1.416 767 1HD PRO 87 HD2 PRO 87 212.149 -2.114 0.447 768 2HD PRO 87 HD1 PRO 87 211.007 -3.385 -0.039 769 HA PRO 88 HA PRO 88 216.601 -1.973 -3.995 770 1HB PRO 88 HB2 PRO 88 215.890 -2.181 -6.819 771 2HB PRO 88 HB1 PRO 88 217.191 -2.982 -5.937 772 1HG PRO 88 HG2 PRO 88 215.040 -4.322 -6.881 773 2HG PRO 88 HG1 PRO 88 215.886 -4.797 -5.397 774 1HD PRO 88 HD2 PRO 88 213.338 -3.253 -5.712 775 2HD PRO 88 HD1 PRO 88 213.733 -4.559 -4.573 776 H THR 89 HN THR 89 217.030 0.148 -4.077 777 HA THR 89 HA THR 89 215.104 2.117 -4.402 778 HB THR 89 HB THR 89 217.126 3.653 -4.787 779 HG1 THR 89 HG1 THR 89 218.425 1.807 -5.555 780 1HG2 THR 89 HG21 THR 89 216.133 3.271 -2.563 781 2HG2 THR 89 HG22 THR 89 217.878 3.530 -2.514 782 3HG2 THR 89 HG23 THR 89 217.222 1.902 -2.344 783 H SER 90 HN SER 90 216.915 0.405 -6.794 784 HA SER 90 HA SER 90 216.437 2.333 -8.891 785 1HB SER 90 HB2 SER 90 217.561 0.753 -10.348 786 2HB SER 90 HB1 SER 90 218.476 0.896 -8.848 787 HG SER 90 HG SER 90 216.723 -1.194 -9.620 788 H ALA 91 HN ALA 91 214.961 -0.588 -7.673 789 HA ALA 91 HA ALA 91 213.386 -1.270 -9.888 790 1HB ALA 91 HB1 ALA 91 212.810 -1.675 -6.956 791 2HB ALA 91 HB2 ALA 91 213.674 -2.786 -8.020 792 3HB ALA 91 HB3 ALA 91 211.958 -2.466 -8.282 793 H THR 92 HN THR 92 211.173 -0.890 -10.327 794 HA THR 92 HA THR 92 210.281 1.761 -9.450 795 HB THR 92 HB THR 92 208.822 1.729 -11.418 796 HG1 THR 92 HG1 THR 92 208.396 -0.058 -12.404 797 1HG2 THR 92 HG21 THR 92 210.511 1.594 -13.218 798 2HG2 THR 92 HG22 THR 92 211.660 0.956 -12.041 799 3HG2 THR 92 HG23 THR 92 211.012 2.585 -11.849 800 H MET 93 HN MET 93 208.229 2.129 -8.640 801 HA MET 93 HA MET 93 207.131 0.349 -6.882 802 1HB MET 93 HB2 MET 93 205.813 2.601 -8.396 803 2HB MET 93 HB1 MET 93 205.009 1.720 -7.106 804 1HG MET 93 HG2 MET 93 207.465 3.436 -6.901 805 2HG MET 93 HG1 MET 93 205.879 3.737 -6.201 806 1HE MET 93 HE1 MET 93 205.767 0.611 -3.701 807 2HE MET 93 HE2 MET 93 205.774 0.210 -5.420 808 3HE MET 93 HE3 MET 93 204.800 1.557 -4.832 809 H GLY 94 HN GLY 94 206.270 0.799 -10.296 810 1HA GLY 94 HA2 GLY 94 204.073 -0.940 -10.378 811 2HA GLY 94 HA1 GLY 94 205.115 -0.560 -11.744 812 H GLN 95 HN GLN 95 207.537 -1.572 -10.684 813 HA GLN 95 HA GLN 95 207.334 -4.281 -11.417 814 1HB GLN 95 HB2 GLN 95 209.509 -2.724 -10.026 815 2HB GLN 95 HB1 GLN 95 209.677 -4.424 -10.439 816 1HG GLN 95 HG2 GLN 95 209.591 -3.984 -12.745 817 2HG GLN 95 HG1 GLN 95 209.001 -2.343 -12.489 818 1HE2 GLN 95 HE21 GLN 95 211.110 -2.710 -14.120 819 2HE2 GLN 95 HE22 GLN 95 212.563 -2.141 -13.378 820 H LEU 96 HN LEU 96 207.410 -2.642 -8.305 821 HA LEU 96 HA LEU 96 207.546 -5.004 -6.726 822 1HB LEU 96 HB2 LEU 96 206.392 -2.328 -5.933 823 2HB LEU 96 HB1 LEU 96 206.960 -3.588 -4.856 824 HG LEU 96 HG LEU 96 208.627 -1.830 -6.647 825 1HD1 LEU 96 HD11 LEU 96 209.660 -1.156 -4.540 826 2HD1 LEU 96 HD12 LEU 96 208.568 -2.225 -3.658 827 3HD1 LEU 96 HD13 LEU 96 207.926 -0.834 -4.535 828 1HD2 LEU 96 HD21 LEU 96 209.381 -4.235 -6.628 829 2HD2 LEU 96 HD22 LEU 96 209.644 -4.056 -4.894 830 3HD2 LEU 96 HD23 LEU 96 210.558 -3.065 -6.033 831 H TYR 97 HN TYR 97 204.935 -3.016 -7.993 832 HA TYR 97 HA TYR 97 202.821 -4.300 -6.640 833 1HB TYR 97 HB2 TYR 97 202.524 -2.122 -7.703 834 2HB TYR 97 HB1 TYR 97 202.810 -2.840 -9.287 835 HD1 TYR 97 HD1 TYR 97 201.189 -4.744 -9.996 836 HD2 TYR 97 HD2 TYR 97 200.362 -1.957 -6.893 837 HE1 TYR 97 HE1 TYR 97 198.786 -5.234 -10.205 838 HE2 TYR 97 HE2 TYR 97 197.958 -2.439 -7.090 839 HH TYR 97 HH TYR 97 196.372 -3.486 -8.291 840 H GLN 98 HN GLN 98 204.625 -5.080 -9.518 841 HA GLN 98 HA GLN 98 202.719 -7.094 -10.347 842 1HB GLN 98 HB2 GLN 98 205.434 -6.367 -11.433 843 2HB GLN 98 HB1 GLN 98 204.330 -7.527 -12.160 844 1HG GLN 98 HG2 GLN 98 202.764 -5.295 -11.902 845 2HG GLN 98 HG1 GLN 98 204.346 -4.621 -12.293 846 1HE2 GLN 98 HE21 GLN 98 205.022 -4.669 -14.338 847 2HE2 GLN 98 HE22 GLN 98 204.219 -5.484 -15.632 848 H GLU 99 HN GLU 99 205.632 -6.920 -8.471 849 HA GLU 99 HA GLU 99 205.764 -9.865 -8.445 850 1HB GLU 99 HB2 GLU 99 207.912 -7.788 -8.157 851 2HB GLU 99 HB1 GLU 99 208.157 -9.458 -7.661 852 1HG GLU 99 HG2 GLU 99 207.258 -9.907 -10.118 853 2HG GLU 99 HG1 GLU 99 207.922 -8.293 -10.369 854 H HIS 100 HN HIS 100 204.651 -7.415 -6.529 855 HA HIS 100 HA HIS 100 205.159 -9.032 -4.137 856 1HB HIS 100 HB2 HIS 100 205.509 -6.036 -4.267 857 2HB HIS 100 HB1 HIS 100 205.540 -6.993 -2.791 858 HD1 HIS 100 HD1 HIS 100 207.778 -7.764 -2.072 859 HD2 HIS 100 HD2 HIS 100 207.674 -6.879 -6.129 860 HE1 HIS 100 HE1 HIS 100 210.143 -8.035 -2.879 861 HE2 HIS 100 HE2 HIS 100 210.072 -7.403 -5.317 862 H HIS 101 HN HIS 101 202.833 -7.761 -6.069 863 HA HIS 101 HA HIS 101 201.047 -6.722 -4.092 864 1HB HIS 101 HB2 HIS 101 199.378 -6.673 -5.827 865 2HB HIS 101 HB1 HIS 101 200.904 -6.130 -6.514 866 HD1 HIS 101 HD1 HIS 101 198.152 -8.202 -7.310 867 HD2 HIS 101 HD2 HIS 101 202.263 -8.556 -7.814 868 HE1 HIS 101 HE1 HIS 101 198.464 -9.927 -9.113 869 HE2 HIS 101 HE2 HIS 101 200.956 -10.080 -9.445 870 H GLU 102 HN GLU 102 200.363 -8.001 -2.496 871 HA GLU 102 HA GLU 102 199.990 -10.826 -2.849 872 1HB GLU 102 HB2 GLU 102 199.411 -8.949 -0.555 873 2HB GLU 102 HB1 GLU 102 199.076 -10.673 -0.487 874 1HG GLU 102 HG2 GLU 102 201.809 -9.825 -1.261 875 2HG GLU 102 HG1 GLU 102 201.328 -9.635 0.424 876 H GLU 103 HN GLU 103 198.471 -10.048 -4.749 877 HA GLU 103 HA GLU 103 196.389 -10.007 -5.650 878 1HB GLU 103 HB2 GLU 103 196.404 -12.023 -3.763 879 2HB GLU 103 HB1 GLU 103 194.976 -11.094 -3.328 880 1HG GLU 103 HG2 GLU 103 193.976 -11.448 -5.423 881 2HG GLU 103 HG1 GLU 103 195.486 -12.013 -6.137 882 H ASP 104 HN ASP 104 193.892 -9.522 -4.813 883 HA ASP 104 HA ASP 104 192.431 -7.968 -3.987 884 1HB ASP 104 HB2 ASP 104 194.474 -8.049 -2.015 885 2HB ASP 104 HB1 ASP 104 194.092 -6.352 -2.297 886 H PHE 105 HN PHE 105 194.875 -7.444 -5.985 887 HA PHE 105 HA PHE 105 195.518 -5.782 -7.396 888 1HB PHE 105 HB2 PHE 105 192.787 -4.715 -6.653 889 2HB PHE 105 HB1 PHE 105 193.768 -4.106 -7.981 890 HD1 PHE 105 HD1 PHE 105 193.134 -4.819 -10.058 891 HD2 PHE 105 HD2 PHE 105 192.613 -7.443 -6.745 892 HE1 PHE 105 HE1 PHE 105 192.170 -6.515 -11.555 893 HE2 PHE 105 HE2 PHE 105 191.651 -9.142 -8.238 894 HZ PHE 105 HZ PHE 105 191.426 -8.680 -10.646 895 H PHE 106 HN PHE 106 195.777 -5.433 -4.305 896 HA PHE 106 HA PHE 106 196.477 -2.588 -4.406 897 1HB PHE 106 HB2 PHE 106 194.866 -4.068 -2.492 898 2HB PHE 106 HB1 PHE 106 196.193 -3.207 -1.715 899 HD1 PHE 106 HD1 PHE 106 194.119 -2.366 -4.664 900 HD2 PHE 106 HD2 PHE 106 195.307 -1.332 -0.710 901 HE1 PHE 106 HE1 PHE 106 192.829 -0.259 -4.826 902 HE2 PHE 106 HE2 PHE 106 194.022 0.765 -0.862 903 HZ PHE 106 HZ PHE 106 192.782 1.301 -2.922 904 H LEU 107 HN LEU 107 198.559 -2.290 -4.403 905 HA LEU 107 HA LEU 107 200.428 -4.267 -3.445 906 1HB LEU 107 HB2 LEU 107 201.052 -3.023 -5.396 907 2HB LEU 107 HB1 LEU 107 200.709 -1.494 -4.616 908 HG LEU 107 HG LEU 107 203.119 -1.843 -4.892 909 1HD1 LEU 107 HD11 LEU 107 202.795 -2.142 -1.975 910 2HD1 LEU 107 HD12 LEU 107 201.930 -0.820 -2.758 911 3HD1 LEU 107 HD13 LEU 107 203.681 -0.939 -2.911 912 1HD2 LEU 107 HD21 LEU 107 202.478 -4.416 -3.549 913 2HD2 LEU 107 HD22 LEU 107 204.020 -3.651 -3.164 914 3HD2 LEU 107 HD23 LEU 107 203.633 -4.065 -4.835 915 H TYR 108 HN TYR 108 201.133 -4.376 -1.356 916 HA TYR 108 HA TYR 108 200.739 -1.976 0.304 917 1HB TYR 108 HB2 TYR 108 199.757 -3.185 1.948 918 2HB TYR 108 HB1 TYR 108 199.414 -4.299 0.633 919 HD1 TYR 108 HD1 TYR 108 200.156 -4.318 3.827 920 HD2 TYR 108 HD2 TYR 108 201.850 -5.766 0.221 921 HE1 TYR 108 HE1 TYR 108 201.304 -6.099 5.096 922 HE2 TYR 108 HE2 TYR 108 203.006 -7.552 1.461 923 HH TYR 108 HH TYR 108 202.277 -8.675 4.172 924 H ILE 109 HN ILE 109 202.307 -1.311 1.678 925 HA ILE 109 HA ILE 109 204.859 -2.777 1.678 926 HB ILE 109 HB ILE 109 204.486 0.124 0.956 927 1HG1 ILE 109 HG12 ILE 109 204.920 -2.364 -0.635 928 2HG1 ILE 109 HG11 ILE 109 203.842 -1.010 -0.928 929 1HG2 ILE 109 HG21 ILE 109 206.951 -0.021 0.391 930 2HG2 ILE 109 HG22 ILE 109 206.976 -1.529 1.303 931 3HG2 ILE 109 HG23 ILE 109 206.543 -0.019 2.105 932 1HD1 ILE 109 HD11 ILE 109 205.729 0.360 -1.614 933 2HD1 ILE 109 HD12 ILE 109 205.611 -1.111 -2.582 934 3HD1 ILE 109 HD13 ILE 109 206.822 -0.989 -1.303 935 H ALA 110 HN ALA 110 206.460 -1.801 3.196 936 HA ALA 110 HA ALA 110 205.271 -0.353 5.468 937 1HB ALA 110 HB1 ALA 110 206.691 -1.819 6.965 938 2HB ALA 110 HB2 ALA 110 206.868 -2.899 5.583 939 3HB ALA 110 HB3 ALA 110 205.267 -2.582 6.256 940 H TYR 111 HN TYR 111 206.903 0.651 6.848 941 HA TYR 111 HA TYR 111 209.535 1.006 5.635 942 1HB TYR 111 HB2 TYR 111 209.402 3.381 5.513 943 2HB TYR 111 HB1 TYR 111 207.975 2.756 4.700 944 HD1 TYR 111 HD1 TYR 111 205.793 3.210 5.527 945 HD2 TYR 111 HD2 TYR 111 209.198 4.398 7.755 946 HE1 TYR 111 HE1 TYR 111 204.350 4.574 6.967 947 HE2 TYR 111 HE2 TYR 111 207.780 5.766 9.225 948 HH TYR 111 HH TYR 111 205.667 6.373 9.731 949 H SER 112 HN SER 112 211.068 0.991 7.144 950 HA SER 112 HA SER 112 210.349 1.741 9.909 951 1HB SER 112 HB2 SER 112 210.798 -0.813 9.213 952 2HB SER 112 HB1 SER 112 212.464 -0.306 9.496 953 HG SER 112 HG SER 112 212.009 0.092 11.580 954 H ASP 113 HN ASP 113 212.376 2.121 11.253 955 HA ASP 113 HA ASP 113 214.079 3.952 9.763 956 1HB ASP 113 HB2 ASP 113 212.958 4.623 11.911 957 2HB ASP 113 HB1 ASP 113 214.000 3.474 12.748 958 H GLU 114 HN GLU 114 214.252 0.850 9.938 959 HA GLU 114 HA GLU 114 217.169 0.786 10.214 960 1HB GLU 114 HB2 GLU 114 215.438 -1.435 11.288 961 2HB GLU 114 HB1 GLU 114 217.165 -1.200 11.518 962 1HG GLU 114 HG2 GLU 114 216.844 0.541 13.043 963 2HG GLU 114 HG1 GLU 114 215.165 0.773 12.557 964 H SER 115 HN SER 115 217.971 -1.450 9.371 965 HA SER 115 HA SER 115 216.864 -1.726 6.712 966 1HB SER 115 HB2 SER 115 218.808 -3.298 6.373 967 2HB SER 115 HB1 SER 115 219.256 -1.657 6.842 968 HG SER 115 HG SER 115 219.791 -3.968 8.090 969 H VAL 116 HN VAL 116 216.003 -3.063 9.558 970 HA VAL 116 HA VAL 116 215.249 -5.623 8.314 971 HB VAL 116 HB VAL 116 214.752 -5.699 11.125 972 1HG1 VAL 116 HG11 VAL 116 215.099 -7.689 9.917 973 2HG1 VAL 116 HG12 VAL 116 216.494 -7.538 10.985 974 3HG1 VAL 116 HG13 VAL 116 216.644 -7.129 9.275 975 1HG2 VAL 116 HG21 VAL 116 216.451 -3.916 11.311 976 2HG2 VAL 116 HG22 VAL 116 217.611 -4.957 10.484 977 3HG2 VAL 116 HG23 VAL 116 216.972 -5.425 12.060 978 H TYR 117 HN TYR 117 213.093 -6.112 8.211 979 HA TYR 117 HA TYR 117 211.175 -4.179 8.141 980 1HB TYR 117 HB2 TYR 117 210.558 -6.299 7.276 981 2HB TYR 117 HB1 TYR 117 210.879 -7.106 8.814 982 HD1 TYR 117 HD1 TYR 117 208.837 -4.205 7.656 983 HD2 TYR 117 HD2 TYR 117 208.976 -7.786 9.941 984 HE1 TYR 117 HE1 TYR 117 206.514 -3.843 8.346 985 HE2 TYR 117 HE2 TYR 117 206.647 -7.436 10.638 986 HH TYR 117 HH TYR 117 205.076 -5.463 10.881 987 H GLY 118 HN GLY 118 211.171 -2.691 9.745 988 1HA GLY 118 HA2 GLY 118 211.427 -2.167 12.125 989 2HA GLY 118 HA1 GLY 118 209.726 -2.191 11.696 990 H LEU 119 HN LEU 119 212.330 -4.075 13.137 991 HA LEU 119 HA LEU 119 210.347 -5.355 14.824 992 1HB LEU 119 HB2 LEU 119 211.832 -6.659 12.739 993 2HB LEU 119 HB1 LEU 119 212.272 -7.334 14.302 994 HG LEU 119 HG LEU 119 209.628 -7.270 14.611 995 1HD1 LEU 119 HD11 LEU 119 208.621 -8.107 12.465 996 2HD1 LEU 119 HD12 LEU 119 210.080 -7.532 11.656 997 3HD1 LEU 119 HD13 LEU 119 209.035 -6.391 12.506 998 1HD2 LEU 119 HD21 LEU 119 210.955 -9.501 13.087 999 2HD2 LEU 119 HD22 LEU 119 209.620 -9.614 14.234 1000 3HD2 LEU 119 HD23 LEU 119 211.238 -9.202 14.802 Start of MODEL 3 1 1H GLY 1 HT1 GLY 1 208.281 -11.238 15.763 2 2H GLY 1 HT2 GLY 1 208.376 -12.760 15.033 3 3H GLY 1 HT3 GLY 1 207.501 -12.565 16.468 4 1HA GLY 1 HA1 GLY 1 205.877 -12.671 14.807 5 2HA GLY 1 HA2 GLY 1 206.026 -10.971 15.226 6 H SER 2 HN SER 2 205.059 -10.599 13.114 7 HA SER 2 HA SER 2 207.124 -10.288 11.096 8 1HB SER 2 HB2 SER 2 205.995 -11.425 9.351 9 2HB SER 2 HB1 SER 2 205.962 -12.531 10.725 10 HG SER 2 HG SER 2 203.915 -12.441 9.828 11 H MET 3 HN MET 3 205.294 -9.602 8.989 12 HA MET 3 HA MET 3 204.875 -6.901 9.585 13 1HB MET 3 HB2 MET 3 203.872 -8.643 7.349 14 2HB MET 3 HB1 MET 3 203.492 -6.928 7.443 15 1HG MET 3 HG2 MET 3 206.196 -6.916 7.769 16 2HG MET 3 HG1 MET 3 205.968 -8.269 6.664 17 1HE MET 3 HE1 MET 3 206.740 -4.478 6.543 18 2HE MET 3 HE2 MET 3 205.247 -4.646 7.468 19 3HE MET 3 HE3 MET 3 205.224 -3.835 5.904 20 H LYS 4 HN LYS 4 203.256 -5.765 10.366 21 HA LYS 4 HA LYS 4 200.678 -7.104 10.830 22 1HB LYS 4 HB2 LYS 4 202.484 -5.719 12.744 23 2HB LYS 4 HB1 LYS 4 200.754 -5.452 12.937 24 1HG LYS 4 HG2 LYS 4 201.083 -7.257 14.307 25 2HG LYS 4 HG1 LYS 4 200.641 -8.061 12.799 26 1HD LYS 4 HD2 LYS 4 202.738 -8.871 12.459 27 2HD LYS 4 HD1 LYS 4 203.514 -7.479 13.215 28 1HE LYS 4 HE2 LYS 4 203.780 -8.644 15.086 29 2HE LYS 4 HE1 LYS 4 202.032 -8.832 15.218 30 1HZ LYS 4 HZ1 LYS 4 202.216 -10.967 14.715 31 2HZ LYS 4 HZ2 LYS 4 203.900 -10.815 14.756 32 3HZ LYS 4 HZ3 LYS 4 203.071 -10.632 13.294 33 H PHE 5 HN PHE 5 199.345 -6.093 9.449 34 HA PHE 5 HA PHE 5 199.506 -3.161 9.251 35 1HB PHE 5 HB2 PHE 5 198.574 -5.265 7.306 36 2HB PHE 5 HB1 PHE 5 198.146 -3.570 7.106 37 HD1 PHE 5 HD1 PHE 5 201.263 -5.370 8.065 38 HD2 PHE 5 HD2 PHE 5 199.396 -2.583 5.452 39 HE1 PHE 5 HE1 PHE 5 203.412 -4.968 6.961 40 HE2 PHE 5 HE2 PHE 5 201.552 -2.174 4.340 41 HZ PHE 5 HZ PHE 5 203.565 -3.370 5.093 42 H VAL 6 HN VAL 6 197.438 -2.016 8.940 43 HA VAL 6 HA VAL 6 195.219 -3.339 10.338 44 HB VAL 6 HB VAL 6 194.836 -0.657 10.869 45 1HG1 VAL 6 HG11 VAL 6 194.622 -2.743 12.322 46 2HG1 VAL 6 HG12 VAL 6 195.110 -1.247 13.119 47 3HG1 VAL 6 HG13 VAL 6 196.314 -2.478 12.741 48 1HG2 VAL 6 HG21 VAL 6 196.981 0.080 11.899 49 2HG2 VAL 6 HG22 VAL 6 197.025 -0.002 10.138 50 3HG2 VAL 6 HG23 VAL 6 197.778 -1.275 11.099 51 H TYR 7 HN TYR 7 195.498 -0.117 8.808 52 HA TYR 7 HA TYR 7 192.987 0.015 7.752 53 1HB TYR 7 HB2 TYR 7 194.965 1.725 7.645 54 2HB TYR 7 HB1 TYR 7 195.265 0.999 6.068 55 HD1 TYR 7 HD1 TYR 7 194.519 2.385 4.386 56 HD2 TYR 7 HD2 TYR 7 192.149 1.974 7.894 57 HE1 TYR 7 HE1 TYR 7 192.800 3.829 3.385 58 HE2 TYR 7 HE2 TYR 7 190.422 3.416 6.904 59 HH TYR 7 HH TYR 7 190.775 5.439 4.666 60 H LYS 8 HN LYS 8 195.827 -1.399 6.136 61 HA LYS 8 HA LYS 8 194.326 -2.263 3.862 62 1HB LYS 8 HB2 LYS 8 196.342 -2.859 2.983 63 2HB LYS 8 HB1 LYS 8 196.968 -1.888 4.309 64 1HG LYS 8 HG2 LYS 8 198.233 -3.782 4.506 65 2HG LYS 8 HG1 LYS 8 196.912 -4.153 5.613 66 1HD LYS 8 HD2 LYS 8 195.795 -5.371 3.729 67 2HD LYS 8 HD1 LYS 8 197.259 -5.126 2.783 68 1HE LYS 8 HE2 LYS 8 198.551 -6.434 4.289 69 2HE LYS 8 HE1 LYS 8 197.246 -6.473 5.473 70 1HZ LYS 8 HZ1 LYS 8 196.073 -8.010 4.261 71 2HZ LYS 8 HZ2 LYS 8 197.658 -8.498 3.933 72 3HZ LYS 8 HZ3 LYS 8 196.799 -7.593 2.792 73 H GLU 9 HN GLU 9 195.278 -3.654 6.930 74 HA GLU 9 HA GLU 9 194.553 -6.327 6.349 75 1HB GLU 9 HB2 GLU 9 195.951 -5.196 8.328 76 2HB GLU 9 HB1 GLU 9 194.403 -5.354 9.143 77 1HG GLU 9 HG2 GLU 9 195.989 -7.574 7.876 78 2HG GLU 9 HG1 GLU 9 195.814 -7.263 9.602 79 H GLU 10 HN GLU 10 192.977 -4.040 8.574 80 HA GLU 10 HA GLU 10 190.631 -5.351 9.021 81 1HB GLU 10 HB2 GLU 10 191.043 -2.378 8.665 82 2HB GLU 10 HB1 GLU 10 189.594 -3.099 9.351 83 1HG GLU 10 HG2 GLU 10 191.217 -4.208 11.024 84 2HG GLU 10 HG1 GLU 10 192.356 -2.975 10.485 85 H HIS 11 HN HIS 11 191.340 -3.172 6.299 86 HA HIS 11 HA HIS 11 188.805 -3.309 5.077 87 1HB HIS 11 HB2 HIS 11 191.563 -2.623 4.147 88 2HB HIS 11 HB1 HIS 11 190.299 -2.860 2.943 89 HD1 HIS 11 HD1 HIS 11 190.342 -0.995 6.271 90 HD2 HIS 11 HD2 HIS 11 189.380 -0.417 2.270 91 HE1 HIS 11 HE1 HIS 11 189.458 1.354 6.124 92 HE2 HIS 11 HE2 HIS 11 188.813 1.657 3.708 93 HA PRO 12 HA PRO 12 188.927 -7.788 4.254 94 1HB PRO 12 HB2 PRO 12 186.744 -7.304 2.440 95 2HB PRO 12 HB1 PRO 12 186.724 -8.145 3.988 96 1HG PRO 12 HG2 PRO 12 185.895 -5.424 3.356 97 2HG PRO 12 HG1 PRO 12 185.576 -6.380 4.807 98 1HD PRO 12 HD2 PRO 12 187.246 -4.207 4.738 99 2HD PRO 12 HD1 PRO 12 187.385 -5.534 5.907 100 H PHE 13 HN PHE 13 188.723 -9.057 2.142 101 HA PHE 13 HA PHE 13 190.737 -8.178 0.385 102 1HB PHE 13 HB2 PHE 13 189.919 -10.588 0.921 103 2HB PHE 13 HB1 PHE 13 188.756 -10.301 -0.369 104 HD1 PHE 13 HD1 PHE 13 189.991 -9.122 -2.521 105 HD2 PHE 13 HD2 PHE 13 191.760 -11.780 0.299 106 HE1 PHE 13 HE1 PHE 13 191.688 -9.755 -4.185 107 HE2 PHE 13 HE2 PHE 13 193.460 -12.416 -1.362 108 HZ PHE 13 HZ PHE 13 193.427 -11.404 -3.606 109 H GLU 14 HN GLU 14 187.221 -8.468 -0.048 110 HA GLU 14 HA GLU 14 187.032 -7.624 -2.670 111 1HB GLU 14 HB2 GLU 14 185.250 -8.017 -0.478 112 2HB GLU 14 HB1 GLU 14 184.846 -6.485 -1.240 113 1HG GLU 14 HG2 GLU 14 185.177 -8.152 -3.389 114 2HG GLU 14 HG1 GLU 14 184.448 -9.211 -2.182 115 H LYS 15 HN LYS 15 187.757 -5.781 0.163 116 HA LYS 15 HA LYS 15 187.155 -3.220 -0.975 117 1HB LYS 15 HB2 LYS 15 188.916 -3.822 1.406 118 2HB LYS 15 HB1 LYS 15 188.103 -2.308 1.034 119 1HG LYS 15 HG2 LYS 15 186.377 -4.674 1.275 120 2HG LYS 15 HG1 LYS 15 187.171 -4.130 2.743 121 1HD LYS 15 HD2 LYS 15 185.438 -2.465 0.936 122 2HD LYS 15 HD1 LYS 15 184.990 -3.100 2.522 123 1HE LYS 15 HE2 LYS 15 187.427 -1.677 2.812 124 2HE LYS 15 HE1 LYS 15 186.318 -0.663 1.890 125 1HZ LYS 15 HZ1 LYS 15 185.815 -0.136 4.062 126 2HZ LYS 15 HZ2 LYS 15 186.022 -1.718 4.625 127 3HZ LYS 15 HZ3 LYS 15 184.648 -1.315 3.722 128 H ARG 16 HN ARG 16 190.188 -4.922 -0.185 129 HA ARG 16 HA ARG 16 191.898 -3.021 -1.356 130 1HB ARG 16 HB2 ARG 16 192.377 -5.995 -1.070 131 2HB ARG 16 HB1 ARG 16 193.606 -4.754 -1.281 132 1HG ARG 16 HG2 ARG 16 193.305 -3.921 0.878 133 2HG ARG 16 HG1 ARG 16 191.742 -4.719 1.065 134 1HD ARG 16 HD2 ARG 16 193.769 -6.673 0.519 135 2HD ARG 16 HD1 ARG 16 194.273 -5.655 1.867 136 HE ARG 16 HE ARG 16 191.692 -6.307 2.446 137 1HH1 ARG 16 HH11 ARG 16 194.574 -8.136 1.724 138 2HH1 ARG 16 HH12 ARG 16 194.105 -9.495 2.688 139 1HH2 ARG 16 HH21 ARG 16 191.070 -8.097 3.712 140 2HH2 ARG 16 HH22 ARG 16 192.115 -9.474 3.815 141 H ARG 17 HN ARG 17 190.249 -5.853 -2.630 142 HA ARG 17 HA ARG 17 191.482 -5.796 -5.195 143 1HB ARG 17 HB2 ARG 17 190.381 -7.800 -4.180 144 2HB ARG 17 HB1 ARG 17 188.826 -7.018 -4.436 145 1HG ARG 17 HG2 ARG 17 189.281 -6.967 -6.857 146 2HG ARG 17 HG1 ARG 17 190.792 -7.832 -6.566 147 1HD ARG 17 HD2 ARG 17 189.638 -9.751 -5.776 148 2HD ARG 17 HD1 ARG 17 188.106 -8.882 -5.709 149 HE ARG 17 HE ARG 17 188.772 -8.731 -8.320 150 1HH1 ARG 17 HH11 ARG 17 188.551 -11.397 -6.079 151 2HH1 ARG 17 HH12 ARG 17 188.123 -12.549 -7.298 152 1HH2 ARG 17 HH21 ARG 17 188.211 -10.246 -9.926 153 2HH2 ARG 17 HH22 ARG 17 187.930 -11.896 -9.482 154 H SER 18 HN SER 18 188.302 -4.729 -3.997 155 HA SER 18 HA SER 18 187.170 -3.805 -6.301 156 1HB SER 18 HB2 SER 18 185.828 -3.735 -4.364 157 2HB SER 18 HB1 SER 18 187.011 -2.774 -3.475 158 HG SER 18 HG SER 18 185.531 -1.880 -5.729 159 H GLU 19 HN GLU 19 188.647 -1.518 -4.014 160 HA GLU 19 HA GLU 19 188.903 0.627 -5.693 161 1HB GLU 19 HB2 GLU 19 189.786 -0.072 -3.121 162 2HB GLU 19 HB1 GLU 19 191.213 0.484 -3.983 163 1HG GLU 19 HG2 GLU 19 190.328 2.599 -4.334 164 2HG GLU 19 HG1 GLU 19 188.678 2.061 -4.020 165 H GLY 20 HN GLY 20 191.357 -1.883 -5.101 166 1HA GLY 20 HA2 GLY 20 193.342 -0.880 -6.780 167 2HA GLY 20 HA1 GLY 20 193.140 -2.577 -6.369 168 H GLU 21 HN GLU 21 191.039 -3.483 -7.566 169 HA GLU 21 HA GLU 21 191.657 -3.904 -10.171 170 1HB GLU 21 HB2 GLU 21 190.061 -5.315 -9.229 171 2HB GLU 21 HB1 GLU 21 189.043 -3.981 -8.709 172 1HG GLU 21 HG2 GLU 21 187.986 -3.857 -10.667 173 2HG GLU 21 HG1 GLU 21 189.449 -4.172 -11.596 174 H LYS 22 HN LYS 22 189.764 -1.233 -8.862 175 HA LYS 22 HA LYS 22 189.007 -0.254 -11.463 176 1HB LYS 22 HB2 LYS 22 187.427 0.388 -9.920 177 2HB LYS 22 HB1 LYS 22 188.605 0.605 -8.635 178 1HG LYS 22 HG2 LYS 22 188.705 2.502 -10.913 179 2HG LYS 22 HG1 LYS 22 187.352 2.640 -9.788 180 1HD LYS 22 HD2 LYS 22 189.734 2.302 -8.268 181 2HD LYS 22 HD1 LYS 22 190.025 3.559 -9.472 182 1HE LYS 22 HE2 LYS 22 189.157 4.755 -7.686 183 2HE LYS 22 HE1 LYS 22 187.741 4.494 -8.703 184 1HZ LYS 22 HZ1 LYS 22 188.409 2.630 -6.512 185 2HZ LYS 22 HZ2 LYS 22 186.919 2.877 -7.274 186 3HZ LYS 22 HZ3 LYS 22 187.531 4.046 -6.215 187 H ILE 23 HN ILE 23 191.206 0.763 -8.897 188 HA ILE 23 HA ILE 23 192.357 2.992 -10.071 189 HB ILE 23 HB ILE 23 193.400 0.907 -8.173 190 1HG1 ILE 23 HG12 ILE 23 192.963 3.806 -7.572 191 2HG1 ILE 23 HG11 ILE 23 191.578 2.730 -7.697 192 1HG2 ILE 23 HG21 ILE 23 194.843 3.489 -8.698 193 2HG2 ILE 23 HG22 ILE 23 195.263 2.005 -9.552 194 3HG2 ILE 23 HG23 ILE 23 195.398 2.082 -7.797 195 1HD1 ILE 23 HD11 ILE 23 193.275 3.166 -5.501 196 2HD1 ILE 23 HD12 ILE 23 193.531 1.507 -6.041 197 3HD1 ILE 23 HD13 ILE 23 191.908 2.060 -5.629 198 H ARG 24 HN ARG 24 192.732 -0.369 -10.795 199 HA ARG 24 HA ARG 24 195.094 0.040 -12.438 200 1HB ARG 24 HB2 ARG 24 193.454 -2.461 -12.010 201 2HB ARG 24 HB1 ARG 24 195.046 -2.369 -12.754 202 1HG ARG 24 HG2 ARG 24 194.575 -1.467 -9.937 203 2HG ARG 24 HG1 ARG 24 194.901 -3.154 -10.330 204 1HD ARG 24 HD2 ARG 24 196.670 -0.783 -10.912 205 2HD ARG 24 HD1 ARG 24 196.950 -2.035 -9.703 206 HE ARG 24 HE ARG 24 196.744 -3.375 -12.085 207 1HH1 ARG 24 HH11 ARG 24 198.771 -0.825 -10.833 208 2HH1 ARG 24 HH12 ARG 24 200.134 -1.258 -11.810 209 1HH2 ARG 24 HH21 ARG 24 198.536 -3.947 -13.370 210 2HH2 ARG 24 HH22 ARG 24 200.000 -3.031 -13.250 211 H LYS 25 HN LYS 25 191.661 -0.083 -12.773 212 HA LYS 25 HA LYS 25 191.533 -0.888 -15.496 213 1HB LYS 25 HB2 LYS 25 189.608 0.621 -13.736 214 2HB LYS 25 HB1 LYS 25 189.231 0.093 -15.371 215 1HG LYS 25 HG2 LYS 25 190.206 -2.155 -13.973 216 2HG LYS 25 HG1 LYS 25 189.032 -1.351 -12.932 217 1HD LYS 25 HD2 LYS 25 188.620 -2.346 -15.736 218 2HD LYS 25 HD1 LYS 25 187.854 -2.931 -14.259 219 1HE LYS 25 HE2 LYS 25 186.981 -0.499 -14.055 220 2HE LYS 25 HE1 LYS 25 187.371 -0.397 -15.772 221 1HZ LYS 25 HZ1 LYS 25 185.585 -2.442 -14.565 222 2HZ LYS 25 HZ2 LYS 25 185.895 -2.224 -16.214 223 3HZ LYS 25 HZ3 LYS 25 185.051 -1.040 -15.349 224 H LYS 26 HN LYS 26 191.244 2.267 -13.891 225 HA LYS 26 HA LYS 26 191.391 3.615 -16.430 226 1HB LYS 26 HB2 LYS 26 189.934 4.245 -14.385 227 2HB LYS 26 HB1 LYS 26 191.385 5.070 -13.841 228 1HG LYS 26 HG2 LYS 26 191.118 5.846 -16.483 229 2HG LYS 26 HG1 LYS 26 189.465 5.832 -15.867 230 1HD LYS 26 HD2 LYS 26 191.728 7.181 -14.419 231 2HD LYS 26 HD1 LYS 26 190.750 8.006 -15.633 232 1HE LYS 26 HE2 LYS 26 188.757 7.675 -14.343 233 2HE LYS 26 HE1 LYS 26 189.615 6.648 -13.195 234 1HZ LYS 26 HZ1 LYS 26 191.068 8.862 -13.037 235 2HZ LYS 26 HZ2 LYS 26 189.729 8.565 -12.047 236 3HZ LYS 26 HZ3 LYS 26 189.567 9.546 -13.416 237 H TYR 27 HN TYR 27 193.486 2.936 -13.732 238 HA TYR 27 HA TYR 27 195.580 4.528 -15.060 239 1HB TYR 27 HB2 TYR 27 196.152 3.760 -12.288 240 2HB TYR 27 HB1 TYR 27 196.364 5.307 -13.090 241 HD1 TYR 27 HD1 TYR 27 193.567 5.977 -13.819 242 HD2 TYR 27 HD2 TYR 27 195.163 4.254 -10.277 243 HE1 TYR 27 HE1 TYR 27 191.678 6.885 -12.527 244 HE2 TYR 27 HE2 TYR 27 193.278 5.148 -8.978 245 HH TYR 27 HH TYR 27 190.787 5.852 -9.595 246 HA PRO 28 HA PRO 28 196.958 0.197 -15.502 247 1HB PRO 28 HB2 PRO 28 198.113 1.070 -18.015 248 2HB PRO 28 HB1 PRO 28 196.808 -0.084 -17.741 249 1HG PRO 28 HG2 PRO 28 196.429 2.353 -18.900 250 2HG PRO 28 HG1 PRO 28 195.177 1.508 -17.975 251 1HD PRO 28 HD2 PRO 28 196.980 3.739 -17.122 252 2HD PRO 28 HD1 PRO 28 195.249 3.496 -16.797 253 H ASP 29 HN ASP 29 198.628 3.245 -15.735 254 HA ASP 29 HA ASP 29 201.247 1.979 -15.586 255 1HB ASP 29 HB2 ASP 29 200.243 4.721 -16.138 256 2HB ASP 29 HB1 ASP 29 201.839 4.582 -15.407 257 H ARG 30 HN ARG 30 198.916 3.453 -13.502 258 HA ARG 30 HA ARG 30 200.823 3.944 -11.368 259 1HB ARG 30 HB2 ARG 30 197.870 4.343 -11.711 260 2HB ARG 30 HB1 ARG 30 198.574 4.382 -10.104 261 1HG ARG 30 HG2 ARG 30 200.119 6.047 -11.824 262 2HG ARG 30 HG1 ARG 30 198.411 6.454 -12.000 263 1HD ARG 30 HD2 ARG 30 198.367 6.407 -9.429 264 2HD ARG 30 HD1 ARG 30 200.121 6.532 -9.546 265 HE ARG 30 HE ARG 30 198.234 8.617 -9.942 266 1HH1 ARG 30 HH11 ARG 30 201.317 7.431 -11.066 267 2HH1 ARG 30 HH12 ARG 30 201.872 8.992 -11.573 268 1HH2 ARG 30 HH21 ARG 30 198.963 10.668 -10.607 269 2HH2 ARG 30 HH22 ARG 30 200.537 10.829 -11.310 270 H VAL 31 HN VAL 31 200.563 2.982 -9.235 271 HA VAL 31 HA VAL 31 199.244 0.364 -9.252 272 HB VAL 31 HB VAL 31 201.066 -0.710 -8.105 273 1HG1 VAL 31 HG11 VAL 31 201.385 0.465 -10.749 274 2HG1 VAL 31 HG12 VAL 31 201.629 -1.195 -10.204 275 3HG1 VAL 31 HG13 VAL 31 202.913 -0.002 -10.003 276 1HG2 VAL 31 HG21 VAL 31 202.008 2.006 -7.699 277 2HG2 VAL 31 HG22 VAL 31 203.277 0.944 -8.306 278 3HG2 VAL 31 HG23 VAL 31 202.410 0.522 -6.827 279 HA PRO 32 HA PRO 32 197.571 2.260 -5.539 280 1HB PRO 32 HB2 PRO 32 196.056 0.114 -4.799 281 2HB PRO 32 HB1 PRO 32 195.551 1.286 -6.019 282 1HG PRO 32 HG2 PRO 32 196.797 -1.409 -6.383 283 2HG PRO 32 HG1 PRO 32 195.450 -0.674 -7.273 284 1HD PRO 32 HD2 PRO 32 197.945 -0.759 -8.279 285 2HD PRO 32 HD1 PRO 32 196.864 0.618 -8.578 286 H VAL 33 HN VAL 33 199.155 2.396 -4.063 287 HA VAL 33 HA VAL 33 200.158 -0.082 -2.855 288 HB VAL 33 HB VAL 33 201.371 2.685 -2.898 289 1HG1 VAL 33 HG11 VAL 33 201.876 1.454 -0.812 290 2HG1 VAL 33 HG12 VAL 33 203.300 1.753 -1.806 291 3HG1 VAL 33 HG13 VAL 33 202.563 0.154 -1.781 292 1HG2 VAL 33 HG21 VAL 33 201.467 1.538 -5.047 293 2HG2 VAL 33 HG22 VAL 33 202.204 0.125 -4.278 294 3HG2 VAL 33 HG23 VAL 33 203.073 1.662 -4.328 295 H ILE 34 HN ILE 34 200.357 -0.266 -0.606 296 HA ILE 34 HA ILE 34 198.836 1.694 0.969 297 HB ILE 34 HB ILE 34 198.639 -1.312 1.073 298 1HG1 ILE 34 HG12 ILE 34 197.111 0.003 -0.405 299 2HG1 ILE 34 HG11 ILE 34 196.271 -0.907 0.848 300 1HG2 ILE 34 HG21 ILE 34 198.486 0.569 3.294 301 2HG2 ILE 34 HG22 ILE 34 198.582 -1.192 3.305 302 3HG2 ILE 34 HG23 ILE 34 197.022 -0.395 3.104 303 1HD1 ILE 34 HD11 ILE 34 195.872 1.726 0.259 304 2HD1 ILE 34 HD12 ILE 34 196.959 1.812 1.645 305 3HD1 ILE 34 HD13 ILE 34 195.432 0.939 1.774 306 H VAL 35 HN VAL 35 200.981 2.578 1.335 307 HA VAL 35 HA VAL 35 203.075 1.178 2.558 308 HB VAL 35 HB VAL 35 202.445 4.119 2.829 309 1HG1 VAL 35 HG11 VAL 35 204.097 3.731 4.398 310 2HG1 VAL 35 HG12 VAL 35 205.037 4.142 2.961 311 3HG1 VAL 35 HG13 VAL 35 204.852 2.453 3.439 312 1HG2 VAL 35 HG21 VAL 35 202.541 3.482 0.495 313 2HG2 VAL 35 HG22 VAL 35 204.069 2.641 0.761 314 3HG2 VAL 35 HG23 VAL 35 203.986 4.396 0.925 315 H GLU 36 HN GLU 36 203.864 1.312 4.742 316 HA GLU 36 HA GLU 36 201.916 1.978 6.816 317 1HB GLU 36 HB2 GLU 36 202.265 -0.650 5.900 318 2HB GLU 36 HB1 GLU 36 203.173 -0.576 7.403 319 1HG GLU 36 HG2 GLU 36 200.317 0.333 7.145 320 2HG GLU 36 HG1 GLU 36 200.784 -1.304 7.604 321 H LYS 37 HN LYS 37 202.879 2.112 8.959 322 HA LYS 37 HA LYS 37 205.746 2.712 8.814 323 1HB LYS 37 HB2 LYS 37 203.941 4.344 9.761 324 2HB LYS 37 HB1 LYS 37 204.005 3.321 11.190 325 1HG LYS 37 HG2 LYS 37 206.674 3.901 10.549 326 2HG LYS 37 HG1 LYS 37 205.789 5.416 10.368 327 1HD LYS 37 HD2 LYS 37 206.509 5.319 12.625 328 2HD LYS 37 HD1 LYS 37 204.780 4.965 12.634 329 1HE LYS 37 HE2 LYS 37 205.101 2.738 13.119 330 2HE LYS 37 HE1 LYS 37 206.730 2.723 12.445 331 1HZ LYS 37 HZ1 LYS 37 207.061 4.416 14.460 332 2HZ LYS 37 HZ2 LYS 37 207.293 2.747 14.611 333 3HZ LYS 37 HZ3 LYS 37 205.837 3.447 15.112 334 H ALA 38 HN ALA 38 206.754 0.805 9.038 335 HA ALA 38 HA ALA 38 206.152 -1.481 10.293 336 1HB ALA 38 HB1 ALA 38 208.249 -0.906 9.018 337 2HB ALA 38 HB2 ALA 38 208.446 -2.002 10.386 338 3HB ALA 38 HB3 ALA 38 208.901 -0.300 10.548 339 HA PRO 39 HA PRO 39 206.132 -1.055 14.654 340 1HB PRO 39 HB2 PRO 39 207.616 -3.417 15.251 341 2HB PRO 39 HB1 PRO 39 205.865 -3.217 15.222 342 1HG PRO 39 HG2 PRO 39 207.395 -4.715 13.440 343 2HG PRO 39 HG1 PRO 39 205.704 -4.236 13.224 344 1HD PRO 39 HD2 PRO 39 208.150 -3.129 11.998 345 2HD PRO 39 HD1 PRO 39 206.482 -3.115 11.406 346 H LYS 40 HN LYS 40 207.415 -0.763 16.582 347 HA LYS 40 HA LYS 40 209.159 0.206 17.684 348 1HB LYS 40 HB2 LYS 40 210.648 -1.785 15.978 349 2HB LYS 40 HB1 LYS 40 211.369 -0.905 17.318 350 1HG LYS 40 HG2 LYS 40 210.818 -2.867 18.346 351 2HG LYS 40 HG1 LYS 40 209.364 -1.918 18.663 352 1HD LYS 40 HD2 LYS 40 208.088 -3.134 17.206 353 2HD LYS 40 HD1 LYS 40 209.455 -3.532 16.165 354 1HE LYS 40 HE2 LYS 40 209.267 -5.563 17.111 355 2HE LYS 40 HE1 LYS 40 210.163 -4.819 18.435 356 1HZ LYS 40 HZ1 LYS 40 207.380 -5.633 18.307 357 2HZ LYS 40 HZ2 LYS 40 207.671 -4.162 19.089 358 3HZ LYS 40 HZ3 LYS 40 208.432 -5.572 19.631 359 H ALA 41 HN ALA 41 208.767 0.871 14.453 360 HA ALA 41 HA ALA 41 211.139 2.082 13.686 361 1HB ALA 41 HB1 ALA 41 209.975 3.010 11.911 362 2HB ALA 41 HB2 ALA 41 208.489 3.181 12.841 363 3HB ALA 41 HB3 ALA 41 209.011 1.581 12.297 364 H ARG 42 HN ARG 42 212.066 3.967 14.190 365 HA ARG 42 HA ARG 42 210.861 5.575 16.287 366 1HB ARG 42 HB2 ARG 42 213.571 6.086 15.094 367 2HB ARG 42 HB1 ARG 42 213.000 6.438 16.720 368 1HG ARG 42 HG2 ARG 42 213.076 4.129 17.322 369 2HG ARG 42 HG1 ARG 42 213.407 3.652 15.657 370 1HD ARG 42 HD2 ARG 42 215.554 4.777 15.734 371 2HD ARG 42 HD1 ARG 42 215.218 5.357 17.364 372 HE ARG 42 HE ARG 42 215.123 2.493 17.094 373 1HH1 ARG 42 HH11 ARG 42 217.169 5.252 17.713 374 2HH1 ARG 42 HH12 ARG 42 218.364 4.331 18.562 375 1HH2 ARG 42 HH21 ARG 42 216.694 1.281 18.210 376 2HH2 ARG 42 HH22 ARG 42 218.096 2.077 18.844 377 H ILE 43 HN ILE 43 209.684 5.659 13.780 378 HA ILE 43 HA ILE 43 210.186 8.440 12.941 379 HB ILE 43 HB ILE 43 209.009 7.542 10.783 380 1HG1 ILE 43 HG12 ILE 43 210.349 5.053 11.836 381 2HG1 ILE 43 HG11 ILE 43 208.608 5.292 11.711 382 1HG2 ILE 43 HG21 ILE 43 211.777 6.600 10.815 383 2HG2 ILE 43 HG22 ILE 43 211.547 8.242 11.417 384 3HG2 ILE 43 HG23 ILE 43 210.999 7.809 9.797 385 1HD1 ILE 43 HD11 ILE 43 209.489 5.866 9.189 386 2HD1 ILE 43 HD12 ILE 43 208.781 4.339 9.728 387 3HD1 ILE 43 HD13 ILE 43 210.535 4.535 9.690 388 H GLY 44 HN GLY 44 208.236 9.346 11.777 389 1HA GLY 44 HA2 GLY 44 206.043 9.343 13.608 390 2HA GLY 44 HA1 GLY 44 206.141 10.238 12.098 391 H ASP 45 HN ASP 45 204.036 8.469 13.457 392 HA ASP 45 HA ASP 45 203.675 6.264 11.657 393 1HB ASP 45 HB2 ASP 45 201.596 5.886 12.829 394 2HB ASP 45 HB1 ASP 45 202.852 6.260 14.005 395 H LEU 46 HN LEU 46 202.605 6.212 9.788 396 HA LEU 46 HA LEU 46 201.614 8.694 8.696 397 1HB LEU 46 HB2 LEU 46 202.725 6.274 7.675 398 2HB LEU 46 HB1 LEU 46 201.162 6.527 6.920 399 HG LEU 46 HG LEU 46 202.945 8.876 7.025 400 1HD1 LEU 46 HD11 LEU 46 204.078 8.030 4.912 401 2HD1 LEU 46 HD12 LEU 46 203.558 6.421 5.411 402 3HD1 LEU 46 HD13 LEU 46 204.638 7.358 6.445 403 1HD2 LEU 46 HD21 LEU 46 200.783 9.027 5.970 404 2HD2 LEU 46 HD22 LEU 46 201.148 7.640 4.941 405 3HD2 LEU 46 HD23 LEU 46 202.038 9.150 4.737 406 H ASP 47 HN ASP 47 199.562 9.077 7.922 407 HA ASP 47 HA ASP 47 197.460 7.354 9.042 408 1HB ASP 47 HB2 ASP 47 196.005 9.403 8.745 409 2HB ASP 47 HB1 ASP 47 197.292 9.563 9.937 410 H LYS 48 HN LYS 48 198.856 8.541 6.146 411 HA LYS 48 HA LYS 48 196.537 7.780 4.529 412 1HB LYS 48 HB2 LYS 48 197.497 9.912 3.947 413 2HB LYS 48 HB1 LYS 48 199.110 9.219 3.859 414 1HG LYS 48 HG2 LYS 48 197.501 7.769 2.055 415 2HG LYS 48 HG1 LYS 48 197.144 9.478 1.809 416 1HD LYS 48 HD2 LYS 48 199.895 9.431 2.048 417 2HD LYS 48 HD1 LYS 48 199.538 7.953 1.153 418 1HE LYS 48 HE2 LYS 48 199.941 9.993 -0.258 419 2HE LYS 48 HE1 LYS 48 198.419 9.155 -0.560 420 1HZ LYS 48 HZ1 LYS 48 198.214 11.217 1.434 421 2HZ LYS 48 HZ2 LYS 48 197.246 10.924 0.077 422 3HZ LYS 48 HZ3 LYS 48 198.682 11.805 -0.082 423 H LYS 49 HN LYS 49 196.710 5.519 4.845 424 HA LYS 49 HA LYS 49 199.066 4.041 4.375 425 1HB LYS 49 HB2 LYS 49 196.182 3.418 4.696 426 2HB LYS 49 HB1 LYS 49 197.162 2.199 3.892 427 1HG LYS 49 HG2 LYS 49 198.527 3.100 6.232 428 2HG LYS 49 HG1 LYS 49 196.869 2.654 6.651 429 1HD LYS 49 HD2 LYS 49 197.500 0.607 5.034 430 2HD LYS 49 HD1 LYS 49 199.100 0.981 5.674 431 1HE LYS 49 HE2 LYS 49 197.993 0.914 7.974 432 2HE LYS 49 HE1 LYS 49 196.625 0.148 7.161 433 1HZ LYS 49 HZ1 LYS 49 197.699 -1.766 7.058 434 2HZ LYS 49 HZ2 LYS 49 198.848 -1.115 8.114 435 3HZ LYS 49 HZ3 LYS 49 199.104 -1.056 6.445 436 H LYS 50 HN LYS 50 196.254 4.684 2.291 437 HA LYS 50 HA LYS 50 197.209 3.218 0.078 438 1HB LYS 50 HB2 LYS 50 194.833 3.950 0.522 439 2HB LYS 50 HB1 LYS 50 195.303 5.550 -0.029 440 1HG LYS 50 HG2 LYS 50 194.805 4.917 -2.090 441 2HG LYS 50 HG1 LYS 50 196.172 3.806 -2.028 442 1HD LYS 50 HD2 LYS 50 193.989 2.762 -2.683 443 2HD LYS 50 HD1 LYS 50 194.783 2.011 -1.301 444 1HE LYS 50 HE2 LYS 50 192.983 4.155 -0.521 445 2HE LYS 50 HE1 LYS 50 192.160 2.882 -1.420 446 1HZ LYS 50 HZ1 LYS 50 192.187 1.633 0.390 447 2HZ LYS 50 HZ2 LYS 50 192.957 2.864 1.255 448 3HZ LYS 50 HZ3 LYS 50 193.877 1.692 0.453 449 H TYR 51 HN TYR 51 198.167 3.831 -1.819 450 HA TYR 51 HA TYR 51 199.114 6.552 -2.186 451 1HB TYR 51 HB2 TYR 51 200.923 4.204 -1.677 452 2HB TYR 51 HB1 TYR 51 201.463 5.565 -2.653 453 HD1 TYR 51 HD1 TYR 51 201.850 7.742 -1.641 454 HD2 TYR 51 HD2 TYR 51 200.585 4.425 0.688 455 HE1 TYR 51 HE1 TYR 51 202.478 8.952 0.404 456 HE2 TYR 51 HE2 TYR 51 201.205 5.622 2.748 457 HH TYR 51 HH TYR 51 203.144 7.828 3.072 458 H LEU 52 HN LEU 52 198.648 7.001 -4.241 459 HA LEU 52 HA LEU 52 198.593 4.800 -6.177 460 1HB LEU 52 HB2 LEU 52 196.831 6.869 -5.742 461 2HB LEU 52 HB1 LEU 52 197.758 7.458 -7.107 462 HG LEU 52 HG LEU 52 197.145 5.533 -8.436 463 1HD1 LEU 52 HD11 LEU 52 196.622 4.363 -5.876 464 2HD1 LEU 52 HD12 LEU 52 196.707 3.590 -7.459 465 3HD1 LEU 52 HD13 LEU 52 195.177 4.250 -6.880 466 1HD2 LEU 52 HD21 LEU 52 195.352 7.476 -7.495 467 2HD2 LEU 52 HD22 LEU 52 194.458 5.957 -7.515 468 3HD2 LEU 52 HD23 LEU 52 195.242 6.537 -8.983 469 H VAL 53 HN VAL 53 200.889 4.673 -6.250 470 HA VAL 53 HA VAL 53 202.242 6.915 -7.565 471 HB VAL 53 HB VAL 53 204.203 5.040 -7.140 472 1HG1 VAL 53 HG11 VAL 53 203.276 7.327 -5.415 473 2HG1 VAL 53 HG12 VAL 53 204.510 7.349 -6.674 474 3HG1 VAL 53 HG13 VAL 53 204.803 6.479 -5.168 475 1HG2 VAL 53 HG21 VAL 53 202.261 4.881 -4.840 476 2HG2 VAL 53 HG22 VAL 53 203.938 4.345 -4.769 477 3HG2 VAL 53 HG23 VAL 53 202.808 3.557 -5.869 478 HA PRO 54 HA PRO 54 202.418 5.122 -11.566 479 1HB PRO 54 HB2 PRO 54 205.358 5.567 -11.491 480 2HB PRO 54 HB1 PRO 54 204.168 6.109 -12.680 481 1HG PRO 54 HG2 PRO 54 205.216 7.813 -10.916 482 2HG PRO 54 HG1 PRO 54 203.513 7.921 -11.395 483 1HD PRO 54 HD2 PRO 54 204.713 6.857 -8.878 484 2HD PRO 54 HD1 PRO 54 203.196 7.748 -9.118 485 H SER 55 HN SER 55 204.113 3.614 -12.845 486 HA SER 55 HA SER 55 204.532 1.292 -11.090 487 1HB SER 55 HB2 SER 55 204.384 -0.074 -13.155 488 2HB SER 55 HB1 SER 55 202.926 0.882 -12.891 489 HG SER 55 HG SER 55 204.977 1.246 -14.784 490 H ASP 56 HN ASP 56 206.125 3.625 -13.007 491 HA ASP 56 HA ASP 56 208.544 2.003 -13.236 492 1HB ASP 56 HB2 ASP 56 207.565 3.545 -15.109 493 2HB ASP 56 HB1 ASP 56 208.314 4.842 -14.184 494 H LEU 57 HN LEU 57 207.065 4.050 -11.071 495 HA LEU 57 HA LEU 57 209.135 5.687 -10.180 496 1HB LEU 57 HB2 LEU 57 206.791 5.954 -9.500 497 2HB LEU 57 HB1 LEU 57 206.910 4.480 -8.553 498 HG LEU 57 HG LEU 57 208.925 5.771 -7.433 499 1HD1 LEU 57 HD11 LEU 57 207.233 7.925 -8.646 500 2HD1 LEU 57 HD12 LEU 57 208.984 7.727 -8.700 501 3HD1 LEU 57 HD13 LEU 57 208.197 8.196 -7.194 502 1HD2 LEU 57 HD21 LEU 57 206.058 5.612 -6.879 503 2HD2 LEU 57 HD22 LEU 57 206.881 6.928 -6.045 504 3HD2 LEU 57 HD23 LEU 57 207.437 5.268 -5.836 505 H THR 58 HN THR 58 211.091 4.897 -9.767 506 HA THR 58 HA THR 58 211.639 2.329 -8.759 507 HB THR 58 HB THR 58 213.895 3.614 -8.126 508 HG1 THR 58 HG1 THR 58 212.905 5.234 -10.210 509 1HG2 THR 58 HG21 THR 58 213.071 2.084 -10.257 510 2HG2 THR 58 HG22 THR 58 214.720 2.611 -9.920 511 3HG2 THR 58 HG23 THR 58 213.701 3.548 -11.013 512 H VAL 59 HN VAL 59 212.214 1.600 -6.755 513 HA VAL 59 HA VAL 59 210.832 2.402 -4.550 514 HB VAL 59 HB VAL 59 213.424 0.933 -4.848 515 1HG1 VAL 59 HG11 VAL 59 213.780 2.017 -2.760 516 2HG1 VAL 59 HG12 VAL 59 213.258 0.371 -2.397 517 3HG1 VAL 59 HG13 VAL 59 212.120 1.711 -2.245 518 1HG2 VAL 59 HG21 VAL 59 211.036 -0.178 -3.498 519 2HG2 VAL 59 HG22 VAL 59 212.182 -0.947 -4.595 520 3HG2 VAL 59 HG23 VAL 59 210.929 0.116 -5.234 521 H GLY 60 HN GLY 60 213.882 3.669 -5.731 522 1HA GLY 60 HA2 GLY 60 214.651 5.149 -3.463 523 2HA GLY 60 HA1 GLY 60 215.112 5.513 -5.122 524 H GLN 61 HN GLN 61 212.659 6.034 -6.262 525 HA GLN 61 HA GLN 61 212.203 8.714 -5.498 526 1HB GLN 61 HB2 GLN 61 210.587 6.840 -7.232 527 2HB GLN 61 HB1 GLN 61 210.253 8.560 -7.061 528 1HG GLN 61 HG2 GLN 61 212.586 8.986 -7.847 529 2HG GLN 61 HG1 GLN 61 212.691 7.268 -8.226 530 1HE2 GLN 61 HE21 GLN 61 210.681 6.506 -9.506 531 2HE2 GLN 61 HE22 GLN 61 210.256 7.472 -10.873 532 H PHE 62 HN PHE 62 210.288 5.762 -5.093 533 HA PHE 62 HA PHE 62 208.076 6.759 -3.793 534 1HB PHE 62 HB2 PHE 62 208.619 4.341 -4.497 535 2HB PHE 62 HB1 PHE 62 209.382 4.194 -2.917 536 HD1 PHE 62 HD1 PHE 62 206.294 6.035 -3.827 537 HD2 PHE 62 HD2 PHE 62 207.999 2.721 -1.778 538 HE1 PHE 62 HE1 PHE 62 204.102 5.528 -2.835 539 HE2 PHE 62 HE2 PHE 62 205.808 2.204 -0.782 540 HZ PHE 62 HZ PHE 62 203.858 3.611 -1.315 541 H TYR 63 HN TYR 63 211.208 5.883 -2.410 542 HA TYR 63 HA TYR 63 210.677 6.185 0.292 543 1HB TYR 63 HB2 TYR 63 213.075 6.434 -1.436 544 2HB TYR 63 HB1 TYR 63 213.190 7.177 0.154 545 HD1 TYR 63 HD1 TYR 63 213.953 4.358 -1.607 546 HD2 TYR 63 HD2 TYR 63 212.168 5.503 2.076 547 HE1 TYR 63 HE1 TYR 63 214.538 2.169 -0.650 548 HE2 TYR 63 HE2 TYR 63 212.747 3.328 3.045 549 HH TYR 63 HH TYR 63 214.909 1.407 2.110 550 H PHE 64 HN PHE 64 212.349 8.572 -1.661 551 HA PHE 64 HA PHE 64 212.333 10.768 -0.115 552 1HB PHE 64 HB2 PHE 64 213.412 10.969 -2.169 553 2HB PHE 64 HB1 PHE 64 212.016 10.393 -3.068 554 HD1 PHE 64 HD1 PHE 64 210.543 11.879 -4.066 555 HD2 PHE 64 HD2 PHE 64 213.301 13.299 -1.151 556 HE1 PHE 64 HE1 PHE 64 209.941 14.199 -4.632 557 HE2 PHE 64 HE2 PHE 64 212.702 15.620 -1.708 558 HZ PHE 64 HZ PHE 64 211.020 16.072 -3.451 559 H LEU 65 HN LEU 65 209.519 9.532 -1.859 560 HA LEU 65 HA LEU 65 207.921 11.841 -1.313 561 1HB LEU 65 HB2 LEU 65 206.562 10.955 -2.829 562 2HB LEU 65 HB1 LEU 65 207.757 9.690 -3.040 563 HG LEU 65 HG LEU 65 206.556 8.480 -1.156 564 1HD1 LEU 65 HD11 LEU 65 204.090 9.905 -1.938 565 2HD1 LEU 65 HD12 LEU 65 205.186 10.780 -0.868 566 3HD1 LEU 65 HD13 LEU 65 204.550 9.206 -0.387 567 1HD2 LEU 65 HD21 LEU 65 204.935 8.837 -3.662 568 2HD2 LEU 65 HD22 LEU 65 205.142 7.381 -2.691 569 3HD2 LEU 65 HD23 LEU 65 206.485 7.998 -3.653 570 H ILE 66 HN ILE 66 208.308 8.645 0.139 571 HA ILE 66 HA ILE 66 206.244 9.033 2.085 572 HB ILE 66 HB ILE 66 208.531 7.062 1.964 573 1HG1 ILE 66 HG12 ILE 66 206.925 6.678 0.210 574 2HG1 ILE 66 HG11 ILE 66 206.691 5.447 1.447 575 1HG2 ILE 66 HG21 ILE 66 206.778 5.902 3.645 576 2HG2 ILE 66 HG22 ILE 66 206.541 7.597 4.074 577 3HG2 ILE 66 HG23 ILE 66 208.147 6.876 4.182 578 1HD1 ILE 66 HD11 ILE 66 205.021 7.932 1.168 579 2HD1 ILE 66 HD12 ILE 66 204.754 6.596 2.285 580 3HD1 ILE 66 HD13 ILE 66 204.586 6.342 0.548 581 H ARG 67 HN ARG 67 209.700 9.560 1.913 582 HA ARG 67 HA ARG 67 210.420 9.931 4.537 583 1HB ARG 67 HB2 ARG 67 211.511 10.517 1.998 584 2HB ARG 67 HB1 ARG 67 211.578 12.023 2.906 585 1HG ARG 67 HG2 ARG 67 213.271 11.301 4.142 586 2HG ARG 67 HG1 ARG 67 212.466 9.768 4.490 587 1HD ARG 67 HD2 ARG 67 214.549 9.374 3.315 588 2HD ARG 67 HD1 ARG 67 213.177 8.919 2.301 589 HE ARG 67 HE ARG 67 214.075 11.600 1.838 590 1HH1 ARG 67 HH11 ARG 67 214.632 8.247 1.045 591 2HH1 ARG 67 HH12 ARG 67 215.372 8.601 -0.480 592 1HH2 ARG 67 HH21 ARG 67 215.050 12.067 -0.168 593 2HH2 ARG 67 HH22 ARG 67 215.611 10.769 -1.168 594 H LYS 68 HN LYS 68 208.754 12.224 2.408 595 HA LYS 68 HA LYS 68 208.768 14.370 4.287 596 1HB LYS 68 HB2 LYS 68 206.862 13.948 1.986 597 2HB LYS 68 HB1 LYS 68 207.255 15.471 2.771 598 1HG LYS 68 HG2 LYS 68 208.975 15.798 1.416 599 2HG LYS 68 HG1 LYS 68 209.639 14.204 1.785 600 1HD LYS 68 HD2 LYS 68 208.215 13.188 0.109 601 2HD LYS 68 HD1 LYS 68 207.441 14.741 -0.211 602 1HE LYS 68 HE2 LYS 68 210.376 14.179 -0.605 603 2HE LYS 68 HE1 LYS 68 209.166 14.109 -1.885 604 1HZ LYS 68 HZ1 LYS 68 210.581 16.315 -1.124 605 2HZ LYS 68 HZ2 LYS 68 209.059 16.568 -0.431 606 3HZ LYS 68 HZ3 LYS 68 209.198 16.308 -2.097 607 H ARG 69 HN ARG 69 206.419 11.888 3.361 608 HA ARG 69 HA ARG 69 204.256 12.736 4.888 609 1HB ARG 69 HB2 ARG 69 205.052 9.868 4.376 610 2HB ARG 69 HB1 ARG 69 203.440 10.463 4.750 611 1HG ARG 69 HG2 ARG 69 204.619 11.751 2.424 612 2HG ARG 69 HG1 ARG 69 204.444 10.004 2.242 613 1HD ARG 69 HD2 ARG 69 202.208 10.121 2.141 614 2HD ARG 69 HD1 ARG 69 202.116 11.333 3.419 615 HE ARG 69 HE ARG 69 203.107 12.351 0.918 616 1HH1 ARG 69 HH11 ARG 69 200.250 11.673 2.804 617 2HH1 ARG 69 HH12 ARG 69 199.270 12.828 1.965 618 1HH2 ARG 69 HH21 ARG 69 201.820 13.870 -0.186 619 2HH2 ARG 69 HH22 ARG 69 200.161 14.075 0.267 620 H ILE 70 HN ILE 70 207.256 11.375 5.871 621 HA ILE 70 HA ILE 70 206.234 10.913 8.584 622 HB ILE 70 HB ILE 70 208.853 9.986 8.578 623 1HG1 ILE 70 HG12 ILE 70 207.521 8.894 6.108 624 2HG1 ILE 70 HG11 ILE 70 208.692 10.207 6.036 625 1HG2 ILE 70 HG21 ILE 70 206.726 8.045 7.967 626 2HG2 ILE 70 HG22 ILE 70 206.450 9.106 9.346 627 3HG2 ILE 70 HG23 ILE 70 207.886 8.087 9.294 628 1HD1 ILE 70 HD11 ILE 70 210.440 8.855 6.466 629 2HD1 ILE 70 HD12 ILE 70 209.360 7.650 5.764 630 3HD1 ILE 70 HD13 ILE 70 209.504 7.789 7.517 631 H HIS 71 HN HIS 71 208.094 13.026 6.699 632 HA HIS 71 HA HIS 71 209.016 15.031 7.217 633 1HB HIS 71 HB2 HIS 71 208.705 14.341 10.143 634 2HB HIS 71 HB1 HIS 71 209.010 15.928 9.453 635 HD1 HIS 71 HD1 HIS 71 206.856 16.782 10.665 636 HD2 HIS 71 HD2 HIS 71 206.184 13.879 7.769 637 HE1 HIS 71 HE1 HIS 71 204.384 16.843 10.211 638 HE2 HIS 71 HE2 HIS 71 203.990 15.022 8.515 639 H LEU 72 HN LEU 72 210.599 13.228 6.391 640 HA LEU 72 HA LEU 72 212.907 13.163 8.224 641 1HB LEU 72 HB2 LEU 72 211.944 11.333 6.102 642 2HB LEU 72 HB1 LEU 72 213.681 11.501 6.301 643 HG LEU 72 HG LEU 72 213.347 10.962 8.742 644 1HD1 LEU 72 HD11 LEU 72 211.052 11.437 9.029 645 2HD1 LEU 72 HD12 LEU 72 211.245 9.694 9.235 646 3HD1 LEU 72 HD13 LEU 72 210.590 10.339 7.729 647 1HD2 LEU 72 HD21 LEU 72 213.117 9.166 6.438 648 2HD2 LEU 72 HD22 LEU 72 212.609 8.471 7.977 649 3HD2 LEU 72 HD23 LEU 72 214.234 9.133 7.801 650 H ARG 73 HN ARG 73 214.917 13.807 7.479 651 HA ARG 73 HA ARG 73 214.820 15.561 5.111 652 1HB ARG 73 HB2 ARG 73 216.962 16.521 6.358 653 2HB ARG 73 HB1 ARG 73 215.335 17.052 6.759 654 1HG ARG 73 HG2 ARG 73 216.518 14.747 8.231 655 2HG ARG 73 HG1 ARG 73 217.018 16.390 8.637 656 1HD ARG 73 HD2 ARG 73 214.545 16.934 8.825 657 2HD ARG 73 HD1 ARG 73 214.259 15.195 8.765 658 HE ARG 73 HE ARG 73 216.172 15.802 10.754 659 1HH1 ARG 73 HH11 ARG 73 212.752 16.036 10.100 660 2HH1 ARG 73 HH12 ARG 73 212.301 15.972 11.769 661 1HH2 ARG 73 HH21 ARG 73 215.580 15.715 12.952 662 2HH2 ARG 73 HH22 ARG 73 213.906 15.790 13.390 663 H ALA 74 HN ALA 74 215.257 12.986 4.496 664 HA ALA 74 HA ALA 74 216.648 11.634 3.309 665 1HB ALA 74 HB1 ALA 74 218.922 13.470 3.169 666 2HB ALA 74 HB2 ALA 74 217.397 14.152 2.602 667 3HB ALA 74 HB3 ALA 74 218.023 12.670 1.880 668 H GLU 75 HN GLU 75 218.928 13.553 5.283 669 HA GLU 75 HA GLU 75 220.707 11.560 5.895 670 1HB GLU 75 HB2 GLU 75 219.782 13.906 7.545 671 2HB GLU 75 HB1 GLU 75 221.081 12.845 8.068 672 1HG GLU 75 HG2 GLU 75 222.032 13.405 5.675 673 2HG GLU 75 HG1 GLU 75 221.021 14.836 5.870 674 H ASP 76 HN ASP 76 217.536 12.133 7.195 675 HA ASP 76 HA ASP 76 217.647 10.474 9.471 676 1HB ASP 76 HB2 ASP 76 215.339 11.264 7.690 677 2HB ASP 76 HB1 ASP 76 215.155 10.372 9.198 678 H ALA 77 HN ALA 77 216.410 8.464 9.682 679 HA ALA 77 HA ALA 77 217.254 6.636 7.567 680 1HB ALA 77 HB1 ALA 77 218.006 5.960 9.701 681 2HB ALA 77 HB2 ALA 77 216.701 4.861 9.251 682 3HB ALA 77 HB3 ALA 77 216.402 6.159 10.409 683 H LEU 78 HN LEU 78 215.939 5.370 6.422 684 HA LEU 78 HA LEU 78 213.177 4.970 7.029 685 1HB LEU 78 HB2 LEU 78 213.006 7.228 6.164 686 2HB LEU 78 HB1 LEU 78 213.907 6.781 4.730 687 HG LEU 78 HG LEU 78 212.071 5.290 4.049 688 1HD1 LEU 78 HD11 LEU 78 210.860 6.267 6.612 689 2HD1 LEU 78 HD12 LEU 78 211.077 4.608 6.053 690 3HD1 LEU 78 HD13 LEU 78 209.873 5.647 5.288 691 1HD2 LEU 78 HD21 LEU 78 210.406 7.072 3.564 692 2HD2 LEU 78 HD22 LEU 78 212.066 7.519 3.166 693 3HD2 LEU 78 HD23 LEU 78 211.310 8.147 4.631 694 H PHE 79 HN PHE 79 213.177 2.856 6.601 695 HA PHE 79 HA PHE 79 214.129 1.997 3.947 696 1HB PHE 79 HB2 PHE 79 214.180 0.342 6.483 697 2HB PHE 79 HB1 PHE 79 214.784 -0.143 4.903 698 HD1 PHE 79 HD1 PHE 79 215.312 2.271 7.662 699 HD2 PHE 79 HD2 PHE 79 216.977 0.320 4.266 700 HE1 PHE 79 HE1 PHE 79 217.530 3.155 8.249 701 HE2 PHE 79 HE2 PHE 79 219.201 1.204 4.846 702 HZ PHE 79 HZ PHE 79 219.479 2.624 6.841 703 H PHE 80 HN PHE 80 212.681 0.948 2.720 704 HA PHE 80 HA PHE 80 210.013 0.621 3.752 705 1HB PHE 80 HB2 PHE 80 211.230 0.262 1.023 706 2HB PHE 80 HB1 PHE 80 209.564 -0.190 1.364 707 HD1 PHE 80 HD1 PHE 80 210.722 1.940 -0.579 708 HD2 PHE 80 HD2 PHE 80 209.064 2.134 3.336 709 HE1 PHE 80 HE1 PHE 80 210.022 4.260 -0.991 710 HE2 PHE 80 HE2 PHE 80 208.364 4.454 2.933 711 HZ PHE 80 HZ PHE 80 208.844 5.520 0.767 712 H PHE 81 HN PHE 81 208.843 -1.286 3.871 713 HA PHE 81 HA PHE 81 210.343 -3.773 3.557 714 1HB PHE 81 HB2 PHE 81 208.802 -2.988 6.035 715 2HB PHE 81 HB1 PHE 81 209.476 -4.589 5.733 716 HD1 PHE 81 HD1 PHE 81 211.831 -5.002 5.919 717 HD2 PHE 81 HD2 PHE 81 210.259 -1.088 6.482 718 HE1 PHE 81 HE1 PHE 81 213.985 -4.279 6.868 719 HE2 PHE 81 HE2 PHE 81 212.413 -0.356 7.429 720 HZ PHE 81 HZ PHE 81 214.283 -1.951 7.615 721 H VAL 82 HN VAL 82 209.228 -4.756 2.004 722 HA VAL 82 HA VAL 82 206.293 -4.841 2.236 723 HB VAL 82 HB VAL 82 207.256 -3.755 0.152 724 1HG1 VAL 82 HG11 VAL 82 209.132 -5.349 -0.129 725 2HG1 VAL 82 HG12 VAL 82 208.158 -5.151 -1.586 726 3HG1 VAL 82 HG13 VAL 82 207.965 -6.590 -0.586 727 1HG2 VAL 82 HG21 VAL 82 205.423 -4.370 -1.027 728 2HG2 VAL 82 HG22 VAL 82 204.992 -5.132 0.505 729 3HG2 VAL 82 HG23 VAL 82 205.711 -6.095 -0.786 730 H ASN 83 HN ASN 83 205.473 -6.752 2.787 731 HA ASN 83 HA ASN 83 205.259 -8.998 3.131 732 1HB ASN 83 HB2 ASN 83 207.462 -9.348 1.082 733 2HB ASN 83 HB1 ASN 83 206.297 -10.559 1.602 734 1HD2 ASN 83 HD21 ASN 83 205.972 -10.684 -0.753 735 2HD2 ASN 83 HD22 ASN 83 204.823 -9.614 -1.475 736 H ASN 84 HN ASN 84 207.378 -7.157 4.309 737 HA ASN 84 HA ASN 84 208.633 -7.389 6.213 738 1HB ASN 84 HB2 ASN 84 207.687 -9.916 6.084 739 2HB ASN 84 HB1 ASN 84 209.394 -10.217 5.776 740 1HD2 ASN 84 HD21 ASN 84 207.223 -10.256 8.121 741 2HD2 ASN 84 HD22 ASN 84 208.196 -9.816 9.480 742 H VAL 85 HN VAL 85 209.480 -7.461 3.112 743 HA VAL 85 HA VAL 85 212.349 -7.670 3.713 744 HB VAL 85 HB VAL 85 211.526 -9.391 2.188 745 1HG1 VAL 85 HG11 VAL 85 211.244 -8.190 -0.255 746 2HG1 VAL 85 HG12 VAL 85 210.368 -7.105 0.823 747 3HG1 VAL 85 HG13 VAL 85 209.929 -8.810 0.744 748 1HG2 VAL 85 HG21 VAL 85 213.325 -9.271 0.658 749 2HG2 VAL 85 HG22 VAL 85 213.858 -8.449 2.124 750 3HG2 VAL 85 HG23 VAL 85 213.341 -7.509 0.723 751 H ILE 86 HN ILE 86 213.748 -6.351 2.446 752 HA ILE 86 HA ILE 86 212.643 -3.678 2.057 753 HB ILE 86 HB ILE 86 215.515 -4.597 2.137 754 1HG1 ILE 86 HG12 ILE 86 213.573 -3.625 4.184 755 2HG1 ILE 86 HG11 ILE 86 214.809 -4.870 4.315 756 1HG2 ILE 86 HG21 ILE 86 214.770 -1.758 2.550 757 2HG2 ILE 86 HG22 ILE 86 214.692 -2.370 0.899 758 3HG2 ILE 86 HG23 ILE 86 216.204 -2.457 1.800 759 1HD1 ILE 86 HD11 ILE 86 215.355 -1.921 4.205 760 2HD1 ILE 86 HD12 ILE 86 216.526 -3.207 4.491 761 3HD1 ILE 86 HD13 ILE 86 215.267 -2.881 5.679 762 HA PRO 87 HA PRO 87 212.658 -4.611 -2.364 763 1HB PRO 87 HB2 PRO 87 211.605 -2.216 -3.140 764 2HB PRO 87 HB1 PRO 87 210.628 -3.559 -2.537 765 1HG PRO 87 HG2 PRO 87 211.604 -1.128 -1.092 766 2HG PRO 87 HG1 PRO 87 210.012 -1.906 -1.025 767 1HD PRO 87 HD2 PRO 87 211.868 -2.268 0.899 768 2HD PRO 87 HD1 PRO 87 210.737 -3.553 0.424 769 HA PRO 88 HA PRO 88 216.430 -2.603 -3.527 770 1HB PRO 88 HB2 PRO 88 215.759 -3.098 -6.330 771 2HB PRO 88 HB1 PRO 88 217.023 -3.830 -5.340 772 1HG PRO 88 HG2 PRO 88 214.854 -5.212 -6.168 773 2HG PRO 88 HG1 PRO 88 215.657 -5.538 -4.623 774 1HD PRO 88 HD2 PRO 88 213.161 -3.975 -5.166 775 2HD PRO 88 HD1 PRO 88 213.499 -5.151 -3.877 776 H THR 89 HN THR 89 216.856 -0.501 -3.712 777 HA THR 89 HA THR 89 215.044 1.480 -4.332 778 HB THR 89 HB THR 89 217.070 2.935 -4.757 779 HG1 THR 89 HG1 THR 89 218.330 0.438 -4.421 780 1HG2 THR 89 HG21 THR 89 217.940 2.810 -2.484 781 2HG2 THR 89 HG22 THR 89 217.114 1.269 -2.254 782 3HG2 THR 89 HG23 THR 89 216.177 2.741 -2.514 783 H SER 90 HN SER 90 216.916 -0.487 -6.484 784 HA SER 90 HA SER 90 216.592 1.211 -8.776 785 1HB SER 90 HB2 SER 90 218.521 -0.281 -8.611 786 2HB SER 90 HB1 SER 90 217.454 -1.684 -8.567 787 HG SER 90 HG SER 90 218.254 -0.133 -10.702 788 H ALA 91 HN ALA 91 214.886 -1.522 -7.377 789 HA ALA 91 HA ALA 91 213.315 -2.226 -9.592 790 1HB ALA 91 HB1 ALA 91 212.616 -2.417 -6.663 791 2HB ALA 91 HB2 ALA 91 213.464 -3.636 -7.613 792 3HB ALA 91 HB3 ALA 91 211.781 -3.248 -7.977 793 H THR 92 HN THR 92 211.143 -1.718 -10.109 794 HA THR 92 HA THR 92 210.414 1.025 -9.371 795 HB THR 92 HB THR 92 209.060 1.046 -11.402 796 HG1 THR 92 HG1 THR 92 209.093 -0.763 -12.776 797 1HG2 THR 92 HG21 THR 92 211.879 0.097 -11.761 798 2HG2 THR 92 HG22 THR 92 211.244 1.738 -11.877 799 3HG2 THR 92 HG23 THR 92 210.851 0.550 -13.121 800 H MET 93 HN MET 93 208.368 1.562 -8.660 801 HA MET 93 HA MET 93 207.059 -0.085 -6.904 802 1HB MET 93 HB2 MET 93 206.029 2.226 -8.537 803 2HB MET 93 HB1 MET 93 205.037 1.420 -7.331 804 1HG MET 93 HG2 MET 93 207.674 2.230 -6.373 805 2HG MET 93 HG1 MET 93 206.640 3.561 -6.884 806 1HE MET 93 HE1 MET 93 206.735 0.279 -5.046 807 2HE MET 93 HE2 MET 93 204.974 0.204 -5.122 808 3HE MET 93 HE3 MET 93 205.780 0.521 -3.585 809 H GLY 94 HN GLY 94 206.672 0.118 -10.363 810 1HA GLY 94 HA2 GLY 94 204.255 -1.360 -10.554 811 2HA GLY 94 HA1 GLY 94 205.413 -1.099 -11.851 812 H GLN 95 HN GLN 95 207.671 -2.291 -10.747 813 HA GLN 95 HA GLN 95 207.239 -4.993 -11.386 814 1HB GLN 95 HB2 GLN 95 209.540 -3.694 -9.908 815 2HB GLN 95 HB1 GLN 95 209.550 -5.342 -10.520 816 1HG GLN 95 HG2 GLN 95 208.805 -3.620 -12.647 817 2HG GLN 95 HG1 GLN 95 210.236 -2.949 -11.866 818 1HE2 GLN 95 HE21 GLN 95 209.262 -6.321 -12.253 819 2HE2 GLN 95 HE22 GLN 95 210.641 -6.801 -13.177 820 H LEU 96 HN LEU 96 207.457 -3.282 -8.321 821 HA LEU 96 HA LEU 96 207.405 -5.563 -6.655 822 1HB LEU 96 HB2 LEU 96 206.383 -2.779 -6.071 823 2HB LEU 96 HB1 LEU 96 206.718 -4.017 -4.877 824 HG LEU 96 HG LEU 96 208.727 -2.591 -6.614 825 1HD1 LEU 96 HD11 LEU 96 208.258 -2.632 -3.638 826 2HD1 LEU 96 HD12 LEU 96 207.978 -1.279 -4.734 827 3HD1 LEU 96 HD13 LEU 96 209.621 -1.849 -4.439 828 1HD2 LEU 96 HD21 LEU 96 210.051 -4.365 -6.421 829 2HD2 LEU 96 HD22 LEU 96 208.859 -5.206 -5.428 830 3HD2 LEU 96 HD23 LEU 96 210.037 -4.133 -4.672 831 H TYR 97 HN TYR 97 204.849 -3.347 -7.723 832 HA TYR 97 HA TYR 97 202.702 -4.672 -6.523 833 1HB TYR 97 HB2 TYR 97 202.405 -2.445 -7.373 834 2HB TYR 97 HB1 TYR 97 202.808 -2.965 -9.007 835 HD1 TYR 97 HD1 TYR 97 200.198 -2.602 -6.552 836 HD2 TYR 97 HD2 TYR 97 201.236 -4.517 -10.212 837 HE1 TYR 97 HE1 TYR 97 197.815 -3.026 -7.002 838 HE2 TYR 97 HE2 TYR 97 198.857 -4.939 -10.671 839 HH TYR 97 HH TYR 97 196.710 -4.239 -10.067 840 H GLN 98 HN GLN 98 204.363 -5.247 -9.555 841 HA GLN 98 HA GLN 98 202.413 -7.077 -10.546 842 1HB GLN 98 HB2 GLN 98 205.287 -6.613 -11.327 843 2HB GLN 98 HB1 GLN 98 204.187 -7.686 -12.180 844 1HG GLN 98 HG2 GLN 98 202.895 -5.189 -11.935 845 2HG GLN 98 HG1 GLN 98 204.542 -4.883 -12.482 846 1HE2 GLN 98 HE21 GLN 98 204.857 -4.957 -14.582 847 2HE2 GLN 98 HE22 GLN 98 203.880 -5.797 -15.731 848 H GLU 99 HN GLU 99 205.129 -7.315 -8.401 849 HA GLU 99 HA GLU 99 204.831 -10.247 -8.375 850 1HB GLU 99 HB2 GLU 99 207.270 -8.530 -8.009 851 2HB GLU 99 HB1 GLU 99 207.230 -10.233 -7.563 852 1HG GLU 99 HG2 GLU 99 206.278 -10.309 -10.105 853 2HG GLU 99 HG1 GLU 99 207.423 -8.970 -10.190 854 H HIS 100 HN HIS 100 203.576 -8.009 -6.646 855 HA HIS 100 HA HIS 100 204.138 -9.368 -4.135 856 1HB HIS 100 HB2 HIS 100 204.398 -6.391 -4.479 857 2HB HIS 100 HB1 HIS 100 204.284 -7.188 -2.916 858 HD1 HIS 100 HD1 HIS 100 206.549 -7.194 -5.979 859 HD2 HIS 100 HD2 HIS 100 206.667 -7.988 -1.898 860 HE1 HIS 100 HE1 HIS 100 208.965 -7.638 -5.447 861 HE2 HIS 100 HE2 HIS 100 209.003 -8.186 -2.989 862 H HIS 101 HN HIS 101 202.051 -7.310 -5.989 863 HA HIS 101 HA HIS 101 200.062 -6.720 -4.183 864 1HB HIS 101 HB2 HIS 101 198.583 -6.415 -6.008 865 2HB HIS 101 HB1 HIS 101 200.187 -6.024 -6.622 866 HD1 HIS 101 HD1 HIS 101 201.354 -8.334 -7.799 867 HD2 HIS 101 HD2 HIS 101 197.213 -7.994 -7.707 868 HE1 HIS 101 HE1 HIS 101 200.511 -9.902 -9.576 869 HE2 HIS 101 HE2 HIS 101 198.008 -9.618 -9.557 870 H GLU 102 HN GLU 102 199.096 -8.001 -2.791 871 HA GLU 102 HA GLU 102 198.971 -10.814 -3.063 872 1HB GLU 102 HB2 GLU 102 197.635 -8.926 -1.126 873 2HB GLU 102 HB1 GLU 102 197.577 -10.680 -0.987 874 1HG GLU 102 HG2 GLU 102 200.286 -9.681 -1.306 875 2HG GLU 102 HG1 GLU 102 199.475 -9.007 0.106 876 H GLU 103 HN GLU 103 197.883 -10.485 -5.290 877 HA GLU 103 HA GLU 103 196.049 -10.581 -6.660 878 1HB GLU 103 HB2 GLU 103 196.254 -12.838 -5.614 879 2HB GLU 103 HB1 GLU 103 195.043 -12.354 -4.435 880 1HG GLU 103 HG2 GLU 103 193.334 -12.424 -5.948 881 2HG GLU 103 HG1 GLU 103 194.391 -12.093 -7.321 882 H ASP 104 HN ASP 104 195.890 -8.400 -4.638 883 HA ASP 104 HA ASP 104 192.953 -8.118 -4.596 884 1HB ASP 104 HB2 ASP 104 193.493 -6.450 -2.666 885 2HB ASP 104 HB1 ASP 104 193.478 -8.177 -2.324 886 H PHE 105 HN PHE 105 195.121 -7.353 -6.564 887 HA PHE 105 HA PHE 105 195.705 -5.612 -7.897 888 1HB PHE 105 HB2 PHE 105 192.897 -4.911 -7.089 889 2HB PHE 105 HB1 PHE 105 193.815 -3.876 -8.178 890 HD1 PHE 105 HD1 PHE 105 191.472 -6.394 -8.088 891 HD2 PHE 105 HD2 PHE 105 195.056 -5.312 -10.110 892 HE1 PHE 105 HE1 PHE 105 190.833 -7.828 -9.981 893 HE2 PHE 105 HE2 PHE 105 194.421 -6.740 -12.009 894 HZ PHE 105 HZ PHE 105 192.307 -8.001 -11.946 895 H PHE 106 HN PHE 106 196.229 -5.427 -4.924 896 HA PHE 106 HA PHE 106 196.702 -2.536 -4.797 897 1HB PHE 106 HB2 PHE 106 195.473 -4.357 -2.878 898 2HB PHE 106 HB1 PHE 106 196.803 -3.441 -2.174 899 HD1 PHE 106 HD1 PHE 106 195.628 -1.964 -0.769 900 HD2 PHE 106 HD2 PHE 106 194.550 -2.345 -4.865 901 HE1 PHE 106 HE1 PHE 106 194.157 0.000 -0.552 902 HE2 PHE 106 HE2 PHE 106 193.073 -0.369 -4.657 903 HZ PHE 106 HZ PHE 106 192.878 0.798 -2.499 904 H LEU 107 HN LEU 107 198.363 -2.467 -2.613 905 HA LEU 107 HA LEU 107 200.504 -4.321 -2.740 906 1HB LEU 107 HB2 LEU 107 200.753 -3.178 -4.918 907 2HB LEU 107 HB1 LEU 107 200.949 -1.652 -4.076 908 HG LEU 107 HG LEU 107 203.115 -2.326 -4.751 909 1HD1 LEU 107 HD11 LEU 107 203.010 -1.509 -2.444 910 2HD1 LEU 107 HD12 LEU 107 204.334 -2.639 -2.703 911 3HD1 LEU 107 HD13 LEU 107 202.878 -3.169 -1.869 912 1HD2 LEU 107 HD21 LEU 107 202.120 -4.879 -4.708 913 2HD2 LEU 107 HD22 LEU 107 203.252 -4.896 -3.355 914 3HD2 LEU 107 HD23 LEU 107 203.811 -4.444 -4.965 915 H TYR 108 HN TYR 108 200.141 -4.156 -0.465 916 HA TYR 108 HA TYR 108 200.567 -1.587 0.809 917 1HB TYR 108 HB2 TYR 108 200.277 -2.872 2.958 918 2HB TYR 108 HB1 TYR 108 198.895 -2.907 1.875 919 HD1 TYR 108 HD1 TYR 108 201.333 -4.860 3.656 920 HD2 TYR 108 HD2 TYR 108 198.462 -4.967 0.523 921 HE1 TYR 108 HE1 TYR 108 201.310 -7.316 3.775 922 HE2 TYR 108 HE2 TYR 108 198.429 -7.426 0.629 923 HH TYR 108 HH TYR 108 199.006 -9.189 2.623 924 H ILE 109 HN ILE 109 202.303 -0.860 1.713 925 HA ILE 109 HA ILE 109 204.676 -2.595 1.915 926 HB ILE 109 HB ILE 109 204.490 0.257 0.954 927 1HG1 ILE 109 HG12 ILE 109 204.872 -2.389 -0.394 928 2HG1 ILE 109 HG11 ILE 109 203.785 -1.070 -0.806 929 1HG2 ILE 109 HG21 ILE 109 206.893 -1.488 1.462 930 2HG2 ILE 109 HG22 ILE 109 206.531 0.096 2.152 931 3HG2 ILE 109 HG23 ILE 109 206.946 -0.047 0.447 932 1HD1 ILE 109 HD11 ILE 109 205.381 -1.043 -2.484 933 2HD1 ILE 109 HD12 ILE 109 206.707 -1.339 -1.357 934 3HD1 ILE 109 HD13 ILE 109 205.908 0.234 -1.386 935 H ALA 110 HN ALA 110 206.371 -1.601 3.379 936 HA ALA 110 HA ALA 110 205.174 0.038 5.506 937 1HB ALA 110 HB1 ALA 110 206.699 -2.520 5.828 938 2HB ALA 110 HB2 ALA 110 205.134 -2.070 6.508 939 3HB ALA 110 HB3 ALA 110 206.610 -1.322 7.118 940 H TYR 111 HN TYR 111 206.790 1.059 6.892 941 HA TYR 111 HA TYR 111 209.442 1.370 5.716 942 1HB TYR 111 HB2 TYR 111 209.311 3.738 5.468 943 2HB TYR 111 HB1 TYR 111 207.916 3.062 4.639 944 HD1 TYR 111 HD1 TYR 111 209.016 4.813 7.679 945 HD2 TYR 111 HD2 TYR 111 205.716 3.599 5.321 946 HE1 TYR 111 HE1 TYR 111 207.548 6.238 9.035 947 HE2 TYR 111 HE2 TYR 111 204.219 5.026 6.644 948 HH TYR 111 HH TYR 111 205.464 7.038 9.296 949 H SER 112 HN SER 112 210.905 1.357 7.289 950 HA SER 112 HA SER 112 210.105 2.255 9.988 951 1HB SER 112 HB2 SER 112 210.548 -0.319 9.437 952 2HB SER 112 HB1 SER 112 212.221 0.180 9.694 953 HG SER 112 HG SER 112 211.814 0.547 11.756 954 H ASP 113 HN ASP 113 212.070 2.700 11.381 955 HA ASP 113 HA ASP 113 213.826 4.470 9.885 956 1HB ASP 113 HB2 ASP 113 212.664 5.282 11.922 957 2HB ASP 113 HB1 ASP 113 213.547 4.089 12.874 958 H GLU 114 HN GLU 114 213.988 1.373 10.179 959 HA GLU 114 HA GLU 114 216.897 1.316 10.526 960 1HB GLU 114 HB2 GLU 114 215.019 -0.697 11.778 961 2HB GLU 114 HB1 GLU 114 216.776 -0.752 11.828 962 1HG GLU 114 HG2 GLU 114 216.539 1.590 12.941 963 2HG GLU 114 HG1 GLU 114 214.894 1.050 13.275 964 H SER 115 HN SER 115 217.728 -0.948 9.799 965 HA SER 115 HA SER 115 216.673 -1.363 7.143 966 1HB SER 115 HB2 SER 115 218.599 -2.869 6.830 967 2HB SER 115 HB1 SER 115 219.098 -1.305 7.473 968 HG SER 115 HG SER 115 220.099 -2.613 8.831 969 H VAL 116 HN VAL 116 215.889 -2.643 10.106 970 HA VAL 116 HA VAL 116 215.068 -5.208 8.937 971 HB VAL 116 HB VAL 116 214.447 -5.154 11.712 972 1HG1 VAL 116 HG11 VAL 116 216.388 -6.660 9.991 973 2HG1 VAL 116 HG12 VAL 116 214.864 -7.205 10.692 974 3HG1 VAL 116 HG13 VAL 116 216.272 -6.959 11.725 975 1HG2 VAL 116 HG21 VAL 116 216.024 -3.454 12.177 976 2HG2 VAL 116 HG22 VAL 116 217.223 -4.161 11.094 977 3HG2 VAL 116 HG23 VAL 116 216.814 -4.972 12.606 978 H TYR 117 HN TYR 117 212.912 -5.674 8.813 979 HA TYR 117 HA TYR 117 211.048 -3.696 8.544 980 1HB TYR 117 HB2 TYR 117 210.391 -5.812 7.738 981 2HB TYR 117 HB1 TYR 117 210.680 -6.590 9.297 982 HD1 TYR 117 HD1 TYR 117 208.705 -7.296 10.299 983 HD2 TYR 117 HD2 TYR 117 208.745 -3.622 8.160 984 HE1 TYR 117 HE1 TYR 117 206.377 -6.881 10.969 985 HE2 TYR 117 HE2 TYR 117 206.420 -3.204 8.807 986 HH TYR 117 HH TYR 117 204.877 -4.824 11.254 987 H GLY 118 HN GLY 118 211.326 -2.172 10.213 988 1HA GLY 118 HA2 GLY 118 211.286 -1.449 12.468 989 2HA GLY 118 HA1 GLY 118 209.593 -1.697 12.074 990 H LEU 119 HN LEU 119 212.403 -3.615 13.154 991 HA LEU 119 HA LEU 119 210.876 -4.571 15.416 992 1HB LEU 119 HB2 LEU 119 211.392 -6.197 13.008 993 2HB LEU 119 HB1 LEU 119 211.703 -6.985 14.547 994 HG LEU 119 HG LEU 119 209.138 -5.565 14.459 995 1HD1 LEU 119 HD11 LEU 119 208.124 -6.539 12.725 996 2HD1 LEU 119 HD12 LEU 119 208.875 -8.102 13.051 997 3HD1 LEU 119 HD13 LEU 119 209.747 -6.882 12.123 998 1HD2 LEU 119 HD21 LEU 119 209.696 -8.451 15.078 999 2HD2 LEU 119 HD22 LEU 119 208.383 -7.432 15.666 1000 3HD2 LEU 119 HD23 LEU 119 210.034 -7.151 16.221 Start of MODEL 4 1 1H GLY 1 HT1 GLY 1 205.452 -15.469 6.249 2 2H GLY 1 HT2 GLY 1 204.573 -15.247 4.821 3 3H GLY 1 HT3 GLY 1 203.761 -15.557 6.273 4 1HA GLY 1 HA1 GLY 1 205.338 -13.125 5.631 5 2HA GLY 1 HA2 GLY 1 203.586 -13.224 5.705 6 H SER 2 HN SER 2 205.628 -11.645 7.247 7 HA SER 2 HA SER 2 204.541 -12.260 9.896 8 1HB SER 2 HB2 SER 2 207.347 -11.361 9.935 9 2HB SER 2 HB1 SER 2 206.539 -12.587 10.912 10 HG SER 2 HG SER 2 206.920 -14.082 9.385 11 H MET 3 HN MET 3 203.596 -10.289 8.229 12 HA MET 3 HA MET 3 204.783 -7.813 9.256 13 1HB MET 3 HB2 MET 3 202.984 -8.356 6.902 14 2HB MET 3 HB1 MET 3 203.290 -6.730 7.496 15 1HG MET 3 HG2 MET 3 205.782 -7.358 7.217 16 2HG MET 3 HG1 MET 3 205.164 -8.637 6.173 17 1HE MET 3 HE1 MET 3 205.103 -4.598 6.659 18 2HE MET 3 HE2 MET 3 205.888 -4.358 5.100 19 3HE MET 3 HE3 MET 3 206.640 -5.393 6.315 20 H LYS 4 HN LYS 4 203.548 -6.256 10.304 21 HA LYS 4 HA LYS 4 200.941 -7.205 11.299 22 1HB LYS 4 HB2 LYS 4 202.973 -5.416 12.647 23 2HB LYS 4 HB1 LYS 4 201.391 -5.810 13.306 24 1HG LYS 4 HG2 LYS 4 202.955 -7.212 14.385 25 2HG LYS 4 HG1 LYS 4 202.076 -8.224 13.238 26 1HD LYS 4 HD2 LYS 4 203.902 -8.580 11.951 27 2HD LYS 4 HD1 LYS 4 204.534 -6.954 12.216 28 1HE LYS 4 HE2 LYS 4 204.687 -9.296 14.106 29 2HE LYS 4 HE1 LYS 4 206.022 -8.553 13.228 30 1HZ LYS 4 HZ1 LYS 4 205.013 -6.459 14.563 31 2HZ LYS 4 HZ2 LYS 4 206.292 -7.414 15.122 32 3HZ LYS 4 HZ3 LYS 4 204.718 -7.708 15.667 33 H PHE 5 HN PHE 5 199.582 -6.231 9.852 34 HA PHE 5 HA PHE 5 199.752 -3.301 9.607 35 1HB PHE 5 HB2 PHE 5 198.696 -5.425 7.751 36 2HB PHE 5 HB1 PHE 5 198.218 -3.740 7.576 37 HD1 PHE 5 HD1 PHE 5 201.493 -5.324 8.387 38 HD2 PHE 5 HD2 PHE 5 199.265 -2.891 5.707 39 HE1 PHE 5 HE1 PHE 5 203.531 -4.877 7.102 40 HE2 PHE 5 HE2 PHE 5 201.305 -2.439 4.414 41 HZ PHE 5 HZ PHE 5 203.446 -3.435 5.110 42 H VAL 6 HN VAL 6 197.595 -2.194 9.349 43 HA VAL 6 HA VAL 6 195.484 -3.566 10.860 44 HB VAL 6 HB VAL 6 196.709 -2.030 12.376 45 1HG1 VAL 6 HG11 VAL 6 197.295 -0.339 10.655 46 2HG1 VAL 6 HG12 VAL 6 196.593 0.349 12.118 47 3HG1 VAL 6 HG13 VAL 6 195.613 0.190 10.662 48 1HG2 VAL 6 HG21 VAL 6 194.557 -0.642 12.956 49 2HG2 VAL 6 HG22 VAL 6 194.585 -2.394 13.155 50 3HG2 VAL 6 HG23 VAL 6 193.824 -1.681 11.733 51 H TYR 7 HN TYR 7 196.234 -0.779 8.773 52 HA TYR 7 HA TYR 7 193.491 -0.327 8.097 53 1HB TYR 7 HB2 TYR 7 195.464 1.340 7.879 54 2HB TYR 7 HB1 TYR 7 195.801 0.520 6.358 55 HD1 TYR 7 HD1 TYR 7 192.808 1.913 8.124 56 HD2 TYR 7 HD2 TYR 7 194.974 1.551 4.480 57 HE1 TYR 7 HE1 TYR 7 191.141 3.329 7.000 58 HE2 TYR 7 HE2 TYR 7 193.314 2.967 3.346 59 HH TYR 7 HH TYR 7 191.016 3.673 3.598 60 H LYS 8 HN LYS 8 196.174 -1.359 5.974 61 HA LYS 8 HA LYS 8 194.572 -2.497 3.995 62 1HB LYS 8 HB2 LYS 8 196.892 -2.075 3.521 63 2HB LYS 8 HB1 LYS 8 197.416 -3.101 4.843 64 1HG LYS 8 HG2 LYS 8 197.793 -4.517 3.119 65 2HG LYS 8 HG1 LYS 8 196.109 -4.935 3.435 66 1HD LYS 8 HD2 LYS 8 195.884 -2.804 1.723 67 2HD LYS 8 HD1 LYS 8 197.319 -3.631 1.116 68 1HE LYS 8 HE2 LYS 8 195.083 -5.406 1.785 69 2HE LYS 8 HE1 LYS 8 194.748 -4.275 0.474 70 1HZ LYS 8 HZ1 LYS 8 196.831 -5.056 -0.587 71 2HZ LYS 8 HZ2 LYS 8 195.649 -6.259 -0.452 72 3HZ LYS 8 HZ3 LYS 8 196.964 -6.244 0.612 73 H GLU 9 HN GLU 9 195.512 -3.628 7.123 74 HA GLU 9 HA GLU 9 194.895 -6.379 6.712 75 1HB GLU 9 HB2 GLU 9 195.852 -4.702 8.888 76 2HB GLU 9 HB1 GLU 9 194.730 -5.941 9.430 77 1HG GLU 9 HG2 GLU 9 196.717 -6.970 7.581 78 2HG GLU 9 HG1 GLU 9 197.433 -6.249 9.021 79 H GLU 10 HN GLU 10 193.360 -3.891 8.727 80 HA GLU 10 HA GLU 10 191.006 -5.287 9.253 81 1HB GLU 10 HB2 GLU 10 191.554 -2.319 9.163 82 2HB GLU 10 HB1 GLU 10 190.039 -3.005 9.731 83 1HG GLU 10 HG2 GLU 10 192.569 -3.975 10.947 84 2HG GLU 10 HG1 GLU 10 191.978 -2.373 11.387 85 H HIS 11 HN HIS 11 191.711 -2.879 6.710 86 HA HIS 11 HA HIS 11 189.164 -2.802 5.563 87 1HB HIS 11 HB2 HIS 11 191.900 -2.154 4.665 88 2HB HIS 11 HB1 HIS 11 190.758 -2.508 3.376 89 HD1 HIS 11 HD1 HIS 11 190.792 -0.325 6.500 90 HD2 HIS 11 HD2 HIS 11 189.435 -0.302 2.574 91 HE1 HIS 11 HE1 HIS 11 189.721 1.927 6.171 92 HE2 HIS 11 HE2 HIS 11 188.832 1.885 3.816 93 HA PRO 12 HA PRO 12 188.704 -7.126 4.424 94 1HB PRO 12 HB2 PRO 12 186.600 -5.825 2.757 95 2HB PRO 12 HB1 PRO 12 186.493 -7.258 3.786 96 1HG PRO 12 HG2 PRO 12 185.490 -4.931 4.604 97 2HG PRO 12 HG1 PRO 12 186.325 -6.008 5.738 98 1HD PRO 12 HD2 PRO 12 187.256 -3.470 4.500 99 2HD PRO 12 HD1 PRO 12 187.623 -4.153 6.096 100 H PHE 13 HN PHE 13 188.395 -8.265 2.272 101 HA PHE 13 HA PHE 13 190.392 -7.287 0.458 102 1HB PHE 13 HB2 PHE 13 190.023 -9.725 1.092 103 2HB PHE 13 HB1 PHE 13 188.605 -9.684 0.051 104 HD1 PHE 13 HD1 PHE 13 189.062 -8.800 -2.387 105 HD2 PHE 13 HD2 PHE 13 192.024 -10.409 0.207 106 HE1 PHE 13 HE1 PHE 13 190.469 -9.340 -4.332 107 HE2 PHE 13 HE2 PHE 13 193.435 -10.952 -1.732 108 HZ PHE 13 HZ PHE 13 192.655 -10.421 -4.004 109 H GLU 14 HN GLU 14 186.932 -7.344 0.629 110 HA GLU 14 HA GLU 14 186.356 -6.908 -2.104 111 1HB GLU 14 HB2 GLU 14 184.799 -6.033 0.337 112 2HB GLU 14 HB1 GLU 14 184.170 -6.127 -1.303 113 1HG GLU 14 HG2 GLU 14 185.305 -8.647 -0.579 114 2HG GLU 14 HG1 GLU 14 184.179 -8.125 0.672 115 H LYS 15 HN LYS 15 187.805 -4.951 0.249 116 HA LYS 15 HA LYS 15 186.969 -2.424 -0.886 117 1HB LYS 15 HB2 LYS 15 188.747 -3.208 1.393 118 2HB LYS 15 HB1 LYS 15 188.647 -1.555 0.821 119 1HG LYS 15 HG2 LYS 15 187.222 -2.147 2.804 120 2HG LYS 15 HG1 LYS 15 186.406 -1.347 1.464 121 1HD LYS 15 HD2 LYS 15 186.213 -4.108 0.976 122 2HD LYS 15 HD1 LYS 15 185.856 -3.880 2.686 123 1HE LYS 15 HE2 LYS 15 184.443 -1.854 1.624 124 2HE LYS 15 HE1 LYS 15 184.373 -3.007 0.294 125 1HZ LYS 15 HZ1 LYS 15 182.631 -3.806 1.435 126 2HZ LYS 15 HZ2 LYS 15 183.119 -3.117 2.900 127 3HZ LYS 15 HZ3 LYS 15 183.802 -4.575 2.383 128 H ARG 16 HN ARG 16 190.178 -3.783 -0.155 129 HA ARG 16 HA ARG 16 191.598 -2.089 -1.852 130 1HB ARG 16 HB2 ARG 16 193.068 -4.465 -1.888 131 2HB ARG 16 HB1 ARG 16 193.281 -3.110 -0.795 132 1HG ARG 16 HG2 ARG 16 191.275 -5.211 -0.127 133 2HG ARG 16 HG1 ARG 16 192.989 -5.539 0.106 134 1HD ARG 16 HD2 ARG 16 191.645 -4.568 2.071 135 2HD ARG 16 HD1 ARG 16 193.227 -3.886 1.712 136 HE ARG 16 HE ARG 16 190.631 -2.614 1.284 137 1HH1 ARG 16 HH11 ARG 16 194.110 -2.441 0.999 138 2HH1 ARG 16 HH12 ARG 16 194.127 -0.723 0.801 139 1HH2 ARG 16 HH21 ARG 16 190.662 -0.360 1.010 140 2HH2 ARG 16 HH22 ARG 16 192.174 0.457 0.801 141 H ARG 17 HN ARG 17 189.997 -5.147 -2.495 142 HA ARG 17 HA ARG 17 190.995 -5.494 -5.131 143 1HB ARG 17 HB2 ARG 17 189.902 -7.282 -3.738 144 2HB ARG 17 HB1 ARG 17 188.361 -6.488 -4.033 145 1HG ARG 17 HG2 ARG 17 188.699 -6.817 -6.458 146 2HG ARG 17 HG1 ARG 17 190.180 -7.708 -6.098 147 1HD ARG 17 HD2 ARG 17 189.034 -9.564 -5.673 148 2HD ARG 17 HD1 ARG 17 187.987 -8.719 -4.535 149 HE ARG 17 HE ARG 17 187.155 -8.064 -7.116 150 1HH1 ARG 17 HH11 ARG 17 187.306 -10.860 -5.034 151 2HH1 ARG 17 HH12 ARG 17 185.935 -11.629 -5.760 152 1HH2 ARG 17 HH21 ARG 17 185.350 -9.074 -8.070 153 2HH2 ARG 17 HH22 ARG 17 184.824 -10.616 -7.483 154 H SER 18 HN SER 18 187.881 -4.304 -3.899 155 HA SER 18 HA SER 18 186.748 -3.519 -6.280 156 1HB SER 18 HB2 SER 18 185.348 -3.523 -4.369 157 2HB SER 18 HB1 SER 18 186.446 -2.480 -3.465 158 HG SER 18 HG SER 18 185.782 -0.753 -4.628 159 H GLU 19 HN GLU 19 188.482 -1.455 -3.957 160 HA GLU 19 HA GLU 19 188.593 0.835 -5.555 161 1HB GLU 19 HB2 GLU 19 189.565 -0.008 -3.022 162 2HB GLU 19 HB1 GLU 19 190.902 0.722 -3.898 163 1HG GLU 19 HG2 GLU 19 189.898 2.779 -3.995 164 2HG GLU 19 HG1 GLU 19 188.277 2.113 -3.805 165 H GLY 20 HN GLY 20 191.002 -1.725 -5.042 166 1HA GLY 20 HA2 GLY 20 193.009 -0.704 -6.686 167 2HA GLY 20 HA1 GLY 20 192.787 -2.405 -6.309 168 H GLU 21 HN GLU 21 190.596 -3.192 -7.533 169 HA GLU 21 HA GLU 21 191.281 -3.541 -10.165 170 1HB GLU 21 HB2 GLU 21 189.729 -5.042 -9.318 171 2HB GLU 21 HB1 GLU 21 188.691 -3.772 -8.686 172 1HG GLU 21 HG2 GLU 21 187.610 -3.497 -10.635 173 2HG GLU 21 HG1 GLU 21 189.047 -3.824 -11.603 174 H LYS 22 HN LYS 22 189.710 -0.810 -8.718 175 HA LYS 22 HA LYS 22 188.847 0.214 -11.303 176 1HB LYS 22 HB2 LYS 22 187.221 0.781 -9.785 177 2HB LYS 22 HB1 LYS 22 188.361 0.940 -8.458 178 1HG LYS 22 HG2 LYS 22 188.423 2.940 -10.665 179 2HG LYS 22 HG1 LYS 22 187.148 3.033 -9.449 180 1HD LYS 22 HD2 LYS 22 189.357 2.681 -7.895 181 2HD LYS 22 HD1 LYS 22 190.017 3.624 -9.232 182 1HE LYS 22 HE2 LYS 22 188.180 5.265 -8.904 183 2HE LYS 22 HE1 LYS 22 187.670 4.352 -7.485 184 1HZ LYS 22 HZ1 LYS 22 190.460 5.232 -7.640 185 2HZ LYS 22 HZ2 LYS 22 189.466 5.034 -6.286 186 3HZ LYS 22 HZ3 LYS 22 189.279 6.390 -7.280 187 H ILE 23 HN ILE 23 191.069 1.049 -8.692 188 HA ILE 23 HA ILE 23 192.173 3.368 -9.807 189 HB ILE 23 HB ILE 23 193.240 1.318 -7.879 190 1HG1 ILE 23 HG12 ILE 23 192.564 4.173 -7.275 191 2HG1 ILE 23 HG11 ILE 23 191.283 2.976 -7.420 192 1HG2 ILE 23 HG21 ILE 23 195.087 2.511 -9.145 193 2HG2 ILE 23 HG22 ILE 23 195.122 2.652 -7.390 194 3HG2 ILE 23 HG23 ILE 23 194.526 3.991 -8.367 195 1HD1 ILE 23 HD11 ILE 23 193.223 1.856 -5.741 196 2HD1 ILE 23 HD12 ILE 23 191.618 2.443 -5.310 197 3HD1 ILE 23 HD13 ILE 23 193.007 3.526 -5.221 198 H ARG 24 HN ARG 24 192.620 0.027 -10.534 199 HA ARG 24 HA ARG 24 195.114 0.398 -11.958 200 1HB ARG 24 HB2 ARG 24 193.283 -1.994 -11.694 201 2HB ARG 24 HB1 ARG 24 194.864 -2.015 -12.470 202 1HG ARG 24 HG2 ARG 24 194.418 -1.275 -9.590 203 2HG ARG 24 HG1 ARG 24 194.831 -2.898 -10.142 204 1HD ARG 24 HD2 ARG 24 196.488 -0.436 -10.668 205 2HD ARG 24 HD1 ARG 24 196.773 -1.568 -9.347 206 HE ARG 24 HE ARG 24 196.785 -3.163 -11.526 207 1HH1 ARG 24 HH11 ARG 24 198.476 -0.215 -10.731 208 2HH1 ARG 24 HH12 ARG 24 199.866 -0.609 -11.686 209 1HH2 ARG 24 HH21 ARG 24 198.612 -3.682 -12.780 210 2HH2 ARG 24 HH22 ARG 24 199.944 -2.577 -12.849 211 H LYS 25 HN LYS 25 191.702 -0.045 -12.679 212 HA LYS 25 HA LYS 25 192.052 -0.394 -15.484 213 1HB LYS 25 HB2 LYS 25 189.657 0.299 -13.801 214 2HB LYS 25 HB1 LYS 25 189.577 0.002 -15.534 215 1HG LYS 25 HG2 LYS 25 190.297 -2.253 -15.256 216 2HG LYS 25 HG1 LYS 25 190.658 -1.981 -13.550 217 1HD LYS 25 HD2 LYS 25 188.566 -3.153 -13.709 218 2HD LYS 25 HD1 LYS 25 188.238 -1.499 -13.187 219 1HE LYS 25 HE2 LYS 25 186.865 -1.229 -14.909 220 2HE LYS 25 HE1 LYS 25 188.200 -1.534 -16.020 221 1HZ LYS 25 HZ1 LYS 25 187.719 -3.860 -15.982 222 2HZ LYS 25 HZ2 LYS 25 186.282 -3.038 -16.326 223 3HZ LYS 25 HZ3 LYS 25 186.546 -3.664 -14.778 224 H LYS 26 HN LYS 26 191.145 2.380 -13.454 225 HA LYS 26 HA LYS 26 190.879 4.089 -15.731 226 1HB LYS 26 HB2 LYS 26 189.752 4.234 -13.360 227 2HB LYS 26 HB1 LYS 26 191.154 5.243 -13.024 228 1HG LYS 26 HG2 LYS 26 190.335 6.205 -15.432 229 2HG LYS 26 HG1 LYS 26 188.800 5.777 -14.671 230 1HD LYS 26 HD2 LYS 26 190.934 7.591 -13.568 231 2HD LYS 26 HD1 LYS 26 189.347 8.073 -14.165 232 1HE LYS 26 HE2 LYS 26 188.344 6.630 -12.369 233 2HE LYS 26 HE1 LYS 26 189.969 6.441 -11.711 234 1HZ LYS 26 HZ1 LYS 26 189.982 8.528 -10.909 235 2HZ LYS 26 HZ2 LYS 26 188.300 8.365 -10.963 236 3HZ LYS 26 HZ3 LYS 26 189.110 9.170 -12.209 237 H TYR 27 HN TYR 27 193.318 3.448 -13.300 238 HA TYR 27 HA TYR 27 195.099 5.289 -14.757 239 1HB TYR 27 HB2 TYR 27 195.939 4.399 -12.060 240 2HB TYR 27 HB1 TYR 27 196.122 5.964 -12.837 241 HD1 TYR 27 HD1 TYR 27 193.454 6.887 -13.344 242 HD2 TYR 27 HD2 TYR 27 194.922 4.647 -10.041 243 HE1 TYR 27 HE1 TYR 27 191.656 7.797 -11.927 244 HE2 TYR 27 HE2 TYR 27 193.122 5.539 -8.622 245 HH TYR 27 HH TYR 27 191.455 8.145 -9.197 246 HA PRO 28 HA PRO 28 196.823 1.157 -15.624 247 1HB PRO 28 HB2 PRO 28 197.827 2.362 -18.072 248 2HB PRO 28 HB1 PRO 28 196.639 1.072 -17.878 249 1HG PRO 28 HG2 PRO 28 196.000 3.557 -18.785 250 2HG PRO 28 HG1 PRO 28 194.865 2.528 -17.892 251 1HD PRO 28 HD2 PRO 28 196.518 4.824 -16.909 252 2HD PRO 28 HD1 PRO 28 194.828 4.412 -16.543 253 H ASP 29 HN ASP 29 198.264 4.295 -15.425 254 HA ASP 29 HA ASP 29 200.962 3.140 -15.444 255 1HB ASP 29 HB2 ASP 29 201.755 5.463 -15.619 256 2HB ASP 29 HB1 ASP 29 200.636 5.056 -16.916 257 H ARG 30 HN ARG 30 198.573 3.958 -13.266 258 HA ARG 30 HA ARG 30 200.484 4.701 -11.163 259 1HB ARG 30 HB2 ARG 30 197.712 5.367 -11.735 260 2HB ARG 30 HB1 ARG 30 197.921 4.818 -10.080 261 1HG ARG 30 HG2 ARG 30 199.962 6.720 -10.882 262 2HG ARG 30 HG1 ARG 30 198.328 7.370 -11.033 263 1HD ARG 30 HD2 ARG 30 198.288 6.056 -8.608 264 2HD ARG 30 HD1 ARG 30 199.889 6.791 -8.656 265 HE ARG 30 HE ARG 30 197.438 8.135 -8.246 266 1HH1 ARG 30 HH11 ARG 30 200.506 8.492 -9.869 267 2HH1 ARG 30 HH12 ARG 30 200.476 10.223 -9.814 268 1HH2 ARG 30 HH21 ARG 30 197.396 10.412 -8.174 269 2HH2 ARG 30 HH22 ARG 30 198.711 11.312 -8.851 270 H VAL 31 HN VAL 31 200.205 3.700 -9.025 271 HA VAL 31 HA VAL 31 198.988 1.037 -9.101 272 HB VAL 31 HB VAL 31 200.901 -0.011 -8.049 273 1HG1 VAL 31 HG11 VAL 31 200.785 0.866 -10.700 274 2HG1 VAL 31 HG12 VAL 31 201.717 -0.485 -10.056 275 3HG1 VAL 31 HG13 VAL 31 202.456 1.112 -10.192 276 1HG2 VAL 31 HG21 VAL 31 201.770 2.722 -7.656 277 2HG2 VAL 31 HG22 VAL 31 203.034 1.743 -8.399 278 3HG2 VAL 31 HG23 VAL 31 202.315 1.239 -6.869 279 HA PRO 32 HA PRO 32 197.478 2.701 -5.205 280 1HB PRO 32 HB2 PRO 32 196.045 0.494 -4.488 281 2HB PRO 32 HB1 PRO 32 195.454 1.702 -5.633 282 1HG PRO 32 HG2 PRO 32 196.714 -0.959 -6.164 283 2HG PRO 32 HG1 PRO 32 195.326 -0.199 -6.964 284 1HD PRO 32 HD2 PRO 32 197.793 -0.215 -8.065 285 2HD PRO 32 HD1 PRO 32 196.662 1.134 -8.296 286 H VAL 33 HN VAL 33 199.120 2.798 -3.768 287 HA VAL 33 HA VAL 33 200.261 0.277 -2.805 288 HB VAL 33 HB VAL 33 201.389 3.066 -2.625 289 1HG1 VAL 33 HG11 VAL 33 202.523 2.196 -0.891 290 2HG1 VAL 33 HG12 VAL 33 203.468 1.388 -2.141 291 3HG1 VAL 33 HG13 VAL 33 202.148 0.534 -1.342 292 1HG2 VAL 33 HG21 VAL 33 201.381 2.179 -4.895 293 2HG2 VAL 33 HG22 VAL 33 202.196 0.710 -4.340 294 3HG2 VAL 33 HG23 VAL 33 203.024 2.270 -4.260 295 H ILE 34 HN ILE 34 200.494 -0.159 -0.627 296 HA ILE 34 HA ILE 34 199.041 1.615 1.212 297 HB ILE 34 HB ILE 34 199.080 -1.408 1.366 298 1HG1 ILE 34 HG12 ILE 34 197.614 -0.715 -0.422 299 2HG1 ILE 34 HG11 ILE 34 196.611 -1.138 0.963 300 1HG2 ILE 34 HG21 ILE 34 198.642 0.599 3.335 301 2HG2 ILE 34 HG22 ILE 34 198.537 -1.151 3.499 302 3HG2 ILE 34 HG23 ILE 34 197.113 -0.223 3.023 303 1HD1 ILE 34 HD11 ILE 34 196.861 1.371 -0.450 304 2HD1 ILE 34 HD12 ILE 34 197.085 1.561 1.290 305 3HD1 ILE 34 HD13 ILE 34 195.610 0.819 0.666 306 H VAL 35 HN VAL 35 201.204 2.509 1.510 307 HA VAL 35 HA VAL 35 203.344 1.036 2.572 308 HB VAL 35 HB VAL 35 202.687 3.960 2.955 309 1HG1 VAL 35 HG11 VAL 35 205.248 4.048 3.223 310 2HG1 VAL 35 HG12 VAL 35 205.114 2.329 3.598 311 3HG1 VAL 35 HG13 VAL 35 204.272 3.519 4.593 312 1HG2 VAL 35 HG21 VAL 35 204.026 2.399 0.804 313 2HG2 VAL 35 HG22 VAL 35 204.627 4.015 1.174 314 3HG2 VAL 35 HG23 VAL 35 202.948 3.789 0.687 315 H GLU 36 HN GLU 36 204.163 1.016 4.768 316 HA GLU 36 HA GLU 36 202.247 1.589 6.890 317 1HB GLU 36 HB2 GLU 36 202.426 -0.965 5.803 318 2HB GLU 36 HB1 GLU 36 203.407 -1.061 7.258 319 1HG GLU 36 HG2 GLU 36 201.046 0.317 7.946 320 2HG GLU 36 HG1 GLU 36 200.569 -1.081 6.986 321 H LYS 37 HN LYS 37 203.201 1.388 9.056 322 HA LYS 37 HA LYS 37 206.074 1.965 8.951 323 1HB LYS 37 HB2 LYS 37 204.295 3.568 9.992 324 2HB LYS 37 HB1 LYS 37 204.335 2.456 11.354 325 1HG LYS 37 HG2 LYS 37 207.016 3.069 10.696 326 2HG LYS 37 HG1 LYS 37 206.117 4.585 10.728 327 1HD LYS 37 HD2 LYS 37 206.941 4.189 12.933 328 2HD LYS 37 HD1 LYS 37 205.201 3.898 12.955 329 1HE LYS 37 HE2 LYS 37 205.444 1.628 13.177 330 2HE LYS 37 HE1 LYS 37 207.036 1.623 12.421 331 1HZ LYS 37 HZ1 LYS 37 207.697 1.363 14.545 332 2HZ LYS 37 HZ2 LYS 37 206.304 2.065 15.198 333 3HZ LYS 37 HZ3 LYS 37 207.543 3.048 14.601 334 H ALA 38 HN ALA 38 206.894 -0.079 8.942 335 HA ALA 38 HA ALA 38 206.279 -2.384 10.120 336 1HB ALA 38 HB1 ALA 38 209.074 -1.301 10.317 337 2HB ALA 38 HB2 ALA 38 208.345 -1.836 8.798 338 3HB ALA 38 HB3 ALA 38 208.564 -2.980 10.122 339 HA PRO 39 HA PRO 39 206.019 -2.130 14.515 340 1HB PRO 39 HB2 PRO 39 207.045 -4.616 15.120 341 2HB PRO 39 HB1 PRO 39 205.372 -4.315 14.628 342 1HG PRO 39 HG2 PRO 39 207.690 -5.254 13.009 343 2HG PRO 39 HG1 PRO 39 206.002 -5.781 12.955 344 1HD PRO 39 HD2 PRO 39 207.032 -4.132 11.118 345 2HD PRO 39 HD1 PRO 39 205.354 -3.970 11.678 346 H LYS 40 HN LYS 40 207.323 -1.725 16.292 347 HA LYS 40 HA LYS 40 209.190 -1.249 17.487 348 1HB LYS 40 HB2 LYS 40 210.406 -3.257 15.599 349 2HB LYS 40 HB1 LYS 40 211.305 -2.505 16.908 350 1HG LYS 40 HG2 LYS 40 210.617 -4.509 17.829 351 2HG LYS 40 HG1 LYS 40 209.405 -3.369 18.415 352 1HD LYS 40 HD2 LYS 40 207.751 -4.232 17.088 353 2HD LYS 40 HD1 LYS 40 208.879 -4.786 15.849 354 1HE LYS 40 HE2 LYS 40 208.239 -6.783 16.785 355 2HE LYS 40 HE1 LYS 40 209.679 -6.413 17.734 356 1HZ LYS 40 HZ1 LYS 40 206.873 -5.892 18.554 357 2HZ LYS 40 HZ2 LYS 40 208.243 -5.496 19.461 358 3HZ LYS 40 HZ3 LYS 40 207.872 -7.117 19.154 359 H ALA 41 HN ALA 41 208.996 -0.495 14.167 360 HA ALA 41 HA ALA 41 211.377 0.689 13.535 361 1HB ALA 41 HB1 ALA 41 208.798 2.045 12.861 362 2HB ALA 41 HB2 ALA 41 209.224 0.489 12.137 363 3HB ALA 41 HB3 ALA 41 210.264 1.895 11.895 364 H ARG 42 HN ARG 42 212.397 2.533 14.084 365 HA ARG 42 HA ARG 42 211.418 3.958 16.418 366 1HB ARG 42 HB2 ARG 42 214.063 4.436 15.062 367 2HB ARG 42 HB1 ARG 42 213.624 4.744 16.737 368 1HG ARG 42 HG2 ARG 42 213.674 2.448 17.276 369 2HG ARG 42 HG1 ARG 42 213.729 1.977 15.576 370 1HD ARG 42 HD2 ARG 42 215.945 1.972 15.665 371 2HD ARG 42 HD1 ARG 42 215.925 3.695 16.037 372 HE ARG 42 HE ARG 42 215.463 2.025 18.326 373 1HH1 ARG 42 HH11 ARG 42 217.907 3.485 16.307 374 2HH1 ARG 42 HH12 ARG 42 219.119 3.466 17.544 375 1HH2 ARG 42 HH21 ARG 42 217.055 1.998 19.954 376 2HH2 ARG 42 HH22 ARG 42 218.636 2.621 19.615 377 H ILE 43 HN ILE 43 210.070 4.356 14.029 378 HA ILE 43 HA ILE 43 210.601 7.207 13.504 379 HB ILE 43 HB ILE 43 209.390 6.595 11.268 380 1HG1 ILE 43 HG12 ILE 43 210.697 3.976 12.011 381 2HG1 ILE 43 HG11 ILE 43 208.960 4.256 11.940 382 1HG2 ILE 43 HG21 ILE 43 212.268 6.201 11.977 383 2HG2 ILE 43 HG22 ILE 43 211.507 7.536 11.113 384 3HG2 ILE 43 HG23 ILE 43 211.703 5.972 10.322 385 1HD1 ILE 43 HD11 ILE 43 209.757 5.072 9.479 386 2HD1 ILE 43 HD12 ILE 43 209.125 3.470 9.877 387 3HD1 ILE 43 HD13 ILE 43 210.868 3.742 9.808 388 H GLY 44 HN GLY 44 208.635 8.303 12.575 389 1HA GLY 44 HA2 GLY 44 206.480 8.040 14.414 390 2HA GLY 44 HA1 GLY 44 206.527 9.107 13.019 391 H ASP 45 HN ASP 45 204.439 7.241 14.180 392 HA ASP 45 HA ASP 45 204.062 5.216 12.171 393 1HB ASP 45 HB2 ASP 45 202.104 6.221 14.248 394 2HB ASP 45 HB1 ASP 45 201.987 4.718 13.336 395 H LEU 46 HN LEU 46 202.620 5.194 10.493 396 HA LEU 46 HA LEU 46 201.630 7.820 9.669 397 1HB LEU 46 HB2 LEU 46 202.511 5.369 8.267 398 2HB LEU 46 HB1 LEU 46 201.198 6.252 7.516 399 HG LEU 46 HG LEU 46 204.011 7.179 8.023 400 1HD1 LEU 46 HD11 LEU 46 203.361 7.839 5.484 401 2HD1 LEU 46 HD12 LEU 46 202.384 6.386 5.708 402 3HD1 LEU 46 HD13 LEU 46 204.131 6.323 5.950 403 1HD2 LEU 46 HD21 LEU 46 201.593 8.840 7.348 404 2HD2 LEU 46 HD22 LEU 46 203.252 9.369 7.076 405 3HD2 LEU 46 HD23 LEU 46 202.695 9.035 8.712 406 H ASP 47 HN ASP 47 199.522 8.192 9.068 407 HA ASP 47 HA ASP 47 197.589 6.093 9.805 408 1HB ASP 47 HB2 ASP 47 196.037 7.924 10.424 409 2HB ASP 47 HB1 ASP 47 197.502 7.929 11.400 410 H LYS 48 HN LYS 48 198.883 6.838 7.194 411 HA LYS 48 HA LYS 48 196.476 7.545 5.656 412 1HB LYS 48 HB2 LYS 48 198.308 9.083 5.284 413 2HB LYS 48 HB1 LYS 48 199.412 7.755 4.961 414 1HG LYS 48 HG2 LYS 48 198.104 7.194 2.950 415 2HG LYS 48 HG1 LYS 48 197.070 8.590 3.263 416 1HD LYS 48 HD2 LYS 48 198.940 10.092 3.004 417 2HD LYS 48 HD1 LYS 48 200.057 8.734 2.851 418 1HE LYS 48 HE2 LYS 48 199.485 8.334 0.700 419 2HE LYS 48 HE1 LYS 48 197.796 8.767 0.957 420 1HZ LYS 48 HZ1 LYS 48 199.070 10.304 -0.512 421 2HZ LYS 48 HZ2 LYS 48 199.989 10.760 0.833 422 3HZ LYS 48 HZ3 LYS 48 198.325 11.058 0.807 423 H LYS 49 HN LYS 49 199.382 5.509 5.450 424 HA LYS 49 HA LYS 49 199.744 3.419 4.685 425 1HB LYS 49 HB2 LYS 49 196.773 3.278 5.109 426 2HB LYS 49 HB1 LYS 49 197.631 1.927 4.376 427 1HG LYS 49 HG2 LYS 49 198.861 2.931 6.835 428 2HG LYS 49 HG1 LYS 49 197.233 2.282 7.045 429 1HD LYS 49 HD2 LYS 49 198.378 0.411 5.418 430 2HD LYS 49 HD1 LYS 49 199.746 0.908 6.417 431 1HE LYS 49 HE2 LYS 49 198.773 0.149 8.359 432 2HE LYS 49 HE1 LYS 49 197.139 0.317 7.730 433 1HZ LYS 49 HZ1 LYS 49 198.172 -1.554 6.112 434 2HZ LYS 49 HZ2 LYS 49 197.256 -1.883 7.492 435 3HZ LYS 49 HZ3 LYS 49 198.943 -1.920 7.574 436 H LYS 50 HN LYS 50 196.762 4.515 3.035 437 HA LYS 50 HA LYS 50 197.430 3.309 0.576 438 1HB LYS 50 HB2 LYS 50 195.131 3.909 1.214 439 2HB LYS 50 HB1 LYS 50 195.551 5.613 1.113 440 1HG LYS 50 HG2 LYS 50 194.798 5.512 -0.976 441 2HG LYS 50 HG1 LYS 50 196.297 4.662 -1.350 442 1HD LYS 50 HD2 LYS 50 194.516 3.348 -2.220 443 2HD LYS 50 HD1 LYS 50 195.108 2.522 -0.778 444 1HE LYS 50 HE2 LYS 50 192.751 2.454 -0.646 445 2HE LYS 50 HE1 LYS 50 193.266 3.697 0.493 446 1HZ LYS 50 HZ1 LYS 50 191.689 4.883 -0.557 447 2HZ LYS 50 HZ2 LYS 50 191.751 3.955 -1.969 448 3HZ LYS 50 HZ3 LYS 50 192.908 5.158 -1.697 449 H TYR 51 HN TYR 51 198.277 4.087 -1.301 450 HA TYR 51 HA TYR 51 199.172 6.837 -1.503 451 1HB TYR 51 HB2 TYR 51 201.063 4.506 -1.290 452 2HB TYR 51 HB1 TYR 51 201.513 5.970 -2.160 453 HD1 TYR 51 HD1 TYR 51 200.831 4.503 1.101 454 HD2 TYR 51 HD2 TYR 51 201.885 8.057 -0.968 455 HE1 TYR 51 HE1 TYR 51 201.505 5.529 3.233 456 HE2 TYR 51 HE2 TYR 51 202.567 9.099 1.150 457 HH TYR 51 HH TYR 51 203.349 8.300 3.428 458 H LEU 52 HN LEU 52 198.581 7.435 -3.474 459 HA LEU 52 HA LEU 52 198.393 5.419 -5.586 460 1HB LEU 52 HB2 LEU 52 196.745 7.519 -4.871 461 2HB LEU 52 HB1 LEU 52 197.596 8.157 -6.263 462 HG LEU 52 HG LEU 52 196.780 6.390 -7.670 463 1HD1 LEU 52 HD11 LEU 52 196.144 5.114 -5.086 464 2HD1 LEU 52 HD12 LEU 52 196.673 4.400 -6.608 465 3HD1 LEU 52 HD13 LEU 52 194.986 4.863 -6.392 466 1HD2 LEU 52 HD21 LEU 52 194.281 6.934 -6.208 467 2HD2 LEU 52 HD22 LEU 52 194.693 7.207 -7.901 468 3HD2 LEU 52 HD23 LEU 52 195.230 8.349 -6.668 469 H VAL 53 HN VAL 53 200.669 5.221 -5.830 470 HA VAL 53 HA VAL 53 202.010 7.536 -7.046 471 HB VAL 53 HB VAL 53 203.992 5.682 -6.779 472 1HG1 VAL 53 HG11 VAL 53 203.110 7.669 -4.686 473 2HG1 VAL 53 HG12 VAL 53 204.076 8.037 -6.115 474 3HG1 VAL 53 HG13 VAL 53 204.727 6.987 -4.855 475 1HG2 VAL 53 HG21 VAL 53 202.104 5.283 -4.462 476 2HG2 VAL 53 HG22 VAL 53 203.789 4.767 -4.483 477 3HG2 VAL 53 HG23 VAL 53 202.640 4.067 -5.620 478 HA PRO 54 HA PRO 54 202.055 5.914 -11.130 479 1HB PRO 54 HB2 PRO 54 204.986 6.404 -11.144 480 2HB PRO 54 HB1 PRO 54 203.742 6.986 -12.256 481 1HG PRO 54 HG2 PRO 54 204.835 8.621 -10.458 482 2HG PRO 54 HG1 PRO 54 203.108 8.718 -10.852 483 1HD PRO 54 HD2 PRO 54 204.444 7.535 -8.456 484 2HD PRO 54 HD1 PRO 54 202.916 8.432 -8.569 485 H SER 55 HN SER 55 203.817 4.551 -12.525 486 HA SER 55 HA SER 55 204.330 2.139 -10.915 487 1HB SER 55 HB2 SER 55 202.851 2.452 -13.300 488 2HB SER 55 HB1 SER 55 204.329 1.600 -13.744 489 HG SER 55 HG SER 55 202.284 0.468 -12.791 490 H ASP 56 HN ASP 56 205.804 4.641 -12.639 491 HA ASP 56 HA ASP 56 208.225 3.071 -13.144 492 1HB ASP 56 HB2 ASP 56 207.167 5.671 -14.190 493 2HB ASP 56 HB1 ASP 56 208.906 5.401 -14.183 494 H LEU 57 HN LEU 57 206.804 5.000 -10.822 495 HA LEU 57 HA LEU 57 208.863 6.620 -9.912 496 1HB LEU 57 HB2 LEU 57 206.549 6.754 -9.102 497 2HB LEU 57 HB1 LEU 57 206.765 5.225 -8.267 498 HG LEU 57 HG LEU 57 208.788 6.520 -7.157 499 1HD1 LEU 57 HD11 LEU 57 206.852 8.759 -7.672 500 2HD1 LEU 57 HD12 LEU 57 208.347 8.527 -8.578 501 3HD1 LEU 57 HD13 LEU 57 208.406 8.837 -6.843 502 1HD2 LEU 57 HD21 LEU 57 207.292 5.691 -5.648 503 2HD2 LEU 57 HD22 LEU 57 205.901 6.395 -6.472 504 3HD2 LEU 57 HD23 LEU 57 206.946 7.412 -5.480 505 H THR 58 HN THR 58 210.861 5.939 -9.564 506 HA THR 58 HA THR 58 211.574 3.314 -8.826 507 HB THR 58 HB THR 58 213.754 4.748 -8.091 508 HG1 THR 58 HG1 THR 58 212.650 6.292 -10.175 509 1HG2 THR 58 HG21 THR 58 212.906 3.348 -10.425 510 2HG2 THR 58 HG22 THR 58 214.536 3.573 -9.787 511 3HG2 THR 58 HG23 THR 58 213.850 4.762 -10.894 512 H VAL 59 HN VAL 59 212.181 2.411 -6.917 513 HA VAL 59 HA VAL 59 210.832 2.985 -4.614 514 HB VAL 59 HB VAL 59 213.433 1.570 -5.089 515 1HG1 VAL 59 HG11 VAL 59 213.307 0.741 -2.738 516 2HG1 VAL 59 HG12 VAL 59 212.080 1.968 -2.421 517 3HG1 VAL 59 HG13 VAL 59 213.714 2.452 -2.873 518 1HG2 VAL 59 HG21 VAL 59 212.205 -0.331 -5.095 519 2HG2 VAL 59 HG22 VAL 59 210.925 0.788 -5.565 520 3HG2 VAL 59 HG23 VAL 59 211.067 0.267 -3.887 521 H GLY 60 HN GLY 60 213.916 4.307 -5.688 522 1HA GLY 60 HA2 GLY 60 214.674 5.577 -3.289 523 2HA GLY 60 HA1 GLY 60 215.178 6.061 -4.903 524 H GLN 61 HN GLN 61 212.515 6.519 -5.884 525 HA GLN 61 HA GLN 61 212.154 9.218 -5.010 526 1HB GLN 61 HB2 GLN 61 210.506 7.484 -6.847 527 2HB GLN 61 HB1 GLN 61 210.262 9.210 -6.602 528 1HG GLN 61 HG2 GLN 61 212.571 9.596 -7.370 529 2HG GLN 61 HG1 GLN 61 212.693 7.878 -7.746 530 1HE2 GLN 61 HE21 GLN 61 210.104 7.494 -8.741 531 2HE2 GLN 61 HE22 GLN 61 209.966 8.310 -10.258 532 H PHE 62 HN PHE 62 210.263 6.232 -4.778 533 HA PHE 62 HA PHE 62 208.041 7.184 -3.425 534 1HB PHE 62 HB2 PHE 62 208.508 4.833 -4.354 535 2HB PHE 62 HB1 PHE 62 209.284 4.512 -2.809 536 HD1 PHE 62 HD1 PHE 62 207.880 2.984 -1.775 537 HD2 PHE 62 HD2 PHE 62 206.235 6.501 -3.511 538 HE1 PHE 62 HE1 PHE 62 205.688 2.439 -0.795 539 HE2 PHE 62 HE2 PHE 62 204.042 5.966 -2.536 540 HZ PHE 62 HZ PHE 62 203.768 3.933 -1.179 541 H TYR 63 HN TYR 63 211.169 6.157 -2.145 542 HA TYR 63 HA TYR 63 210.634 6.194 0.579 543 1HB TYR 63 HB2 TYR 63 213.055 6.634 -1.099 544 2HB TYR 63 HB1 TYR 63 213.147 7.129 0.586 545 HD1 TYR 63 HD1 TYR 63 213.740 4.533 -1.628 546 HD2 TYR 63 HD2 TYR 63 212.250 5.263 2.283 547 HE1 TYR 63 HE1 TYR 63 214.283 2.219 -0.998 548 HE2 TYR 63 HE2 TYR 63 212.784 2.956 2.928 549 HH TYR 63 HH TYR 63 214.709 0.899 0.971 550 H PHE 64 HN PHE 64 212.354 8.740 -1.117 551 HA PHE 64 HA PHE 64 212.352 10.765 0.638 552 1HB PHE 64 HB2 PHE 64 213.453 11.163 -1.372 553 2HB PHE 64 HB1 PHE 64 212.066 10.679 -2.337 554 HD1 PHE 64 HD1 PHE 64 213.346 13.393 -0.156 555 HD2 PHE 64 HD2 PHE 64 210.611 12.255 -3.213 556 HE1 PHE 64 HE1 PHE 64 212.771 15.758 -0.515 557 HE2 PHE 64 HE2 PHE 64 210.029 14.620 -3.576 558 HZ PHE 64 HZ PHE 64 211.111 16.374 -2.227 559 H LEU 65 HN LEU 65 209.543 9.741 -1.234 560 HA LEU 65 HA LEU 65 207.961 11.998 -0.465 561 1HB LEU 65 HB2 LEU 65 206.608 11.289 -2.075 562 2HB LEU 65 HB1 LEU 65 207.789 10.036 -2.404 563 HG LEU 65 HG LEU 65 206.568 8.640 -0.689 564 1HD1 LEU 65 HD11 LEU 65 204.037 9.951 -1.164 565 2HD1 LEU 65 HD12 LEU 65 205.159 11.021 -0.321 566 3HD1 LEU 65 HD13 LEU 65 204.766 9.443 0.359 567 1HD2 LEU 65 HD21 LEU 65 204.954 9.352 -3.127 568 2HD2 LEU 65 HD22 LEU 65 205.074 7.788 -2.323 569 3HD2 LEU 65 HD23 LEU 65 206.458 8.435 -3.204 570 H ILE 66 HN ILE 66 208.181 8.615 0.572 571 HA ILE 66 HA ILE 66 206.163 8.828 2.559 572 HB ILE 66 HB ILE 66 208.429 6.866 2.217 573 1HG1 ILE 66 HG12 ILE 66 206.784 6.671 0.478 574 2HG1 ILE 66 HG11 ILE 66 206.544 5.333 1.596 575 1HG2 ILE 66 HG21 ILE 66 206.405 7.123 4.379 576 2HG2 ILE 66 HG22 ILE 66 208.080 6.574 4.456 577 3HG2 ILE 66 HG23 ILE 66 206.829 5.506 3.819 578 1HD1 ILE 66 HD11 ILE 66 204.409 5.912 1.663 579 2HD1 ILE 66 HD12 ILE 66 204.726 7.415 0.799 580 3HD1 ILE 66 HD13 ILE 66 204.895 7.354 2.553 581 H ARG 67 HN ARG 67 209.611 9.383 2.477 582 HA ARG 67 HA ARG 67 210.277 9.442 5.146 583 1HB ARG 67 HB2 ARG 67 211.336 10.569 2.667 584 2HB ARG 67 HB1 ARG 67 211.680 11.585 4.060 585 1HG ARG 67 HG2 ARG 67 213.288 10.220 4.740 586 2HG ARG 67 HG1 ARG 67 212.204 8.827 4.686 587 1HD ARG 67 HD2 ARG 67 212.727 8.388 2.436 588 2HD ARG 67 HD1 ARG 67 213.474 9.972 2.220 589 HE ARG 67 HE ARG 67 214.810 8.406 4.196 590 1HH1 ARG 67 HH11 ARG 67 214.493 8.908 0.758 591 2HH1 ARG 67 HH12 ARG 67 216.075 8.304 0.398 592 1HH2 ARG 67 HH21 ARG 67 216.891 7.610 3.725 593 2HH2 ARG 67 HH22 ARG 67 217.436 7.566 2.081 594 H LYS 68 HN LYS 68 208.861 12.093 3.221 595 HA LYS 68 HA LYS 68 208.829 13.988 5.319 596 1HB LYS 68 HB2 LYS 68 206.926 13.829 2.984 597 2HB LYS 68 HB1 LYS 68 207.339 15.260 3.917 598 1HG LYS 68 HG2 LYS 68 209.064 15.694 2.597 599 2HG LYS 68 HG1 LYS 68 209.709 14.067 2.820 600 1HD LYS 68 HD2 LYS 68 208.279 13.225 1.055 601 2HD LYS 68 HD1 LYS 68 207.526 14.810 0.875 602 1HE LYS 68 HE2 LYS 68 210.449 14.224 0.426 603 2HE LYS 68 HE1 LYS 68 209.235 14.336 -0.850 604 1HZ LYS 68 HZ1 LYS 68 209.395 16.534 -0.841 605 2HZ LYS 68 HZ2 LYS 68 210.714 16.401 0.210 606 3HZ LYS 68 HZ3 LYS 68 209.157 16.625 0.832 607 H ARG 69 HN ARG 69 206.463 11.613 4.188 608 HA ARG 69 HA ARG 69 204.305 12.377 5.780 609 1HB ARG 69 HB2 ARG 69 205.028 9.548 5.007 610 2HB ARG 69 HB1 ARG 69 203.430 10.156 5.417 611 1HG ARG 69 HG2 ARG 69 204.647 11.628 3.235 612 2HG ARG 69 HG1 ARG 69 204.477 9.906 2.887 613 1HD ARG 69 HD2 ARG 69 202.221 9.998 2.864 614 2HD ARG 69 HD1 ARG 69 202.150 11.211 4.141 615 HE ARG 69 HE ARG 69 202.131 11.676 1.322 616 1HH1 ARG 69 HH11 ARG 69 203.071 13.043 4.391 617 2HH1 ARG 69 HH12 ARG 69 203.000 14.678 3.826 618 1HH2 ARG 69 HH21 ARG 69 202.036 13.826 0.577 619 2HH2 ARG 69 HH22 ARG 69 202.412 15.123 1.661 620 H ILE 70 HN ILE 70 207.289 10.945 6.647 621 HA ILE 70 HA ILE 70 206.268 10.317 9.333 622 HB ILE 70 HB ILE 70 208.778 9.142 9.195 623 1HG1 ILE 70 HG12 ILE 70 207.355 8.189 6.742 624 2HG1 ILE 70 HG11 ILE 70 208.417 9.586 6.632 625 1HG2 ILE 70 HG21 ILE 70 207.643 7.268 9.766 626 2HG2 ILE 70 HG22 ILE 70 206.430 7.483 8.505 627 3HG2 ILE 70 HG23 ILE 70 206.336 8.431 9.987 628 1HD1 ILE 70 HD11 ILE 70 209.198 7.011 6.331 629 2HD1 ILE 70 HD12 ILE 70 209.593 7.309 8.024 630 3HD1 ILE 70 HD13 ILE 70 210.259 8.351 6.766 631 H HIS 71 HN HIS 71 207.951 12.577 7.638 632 HA HIS 71 HA HIS 71 209.044 14.443 8.302 633 1HB HIS 71 HB2 HIS 71 209.302 13.319 11.092 634 2HB HIS 71 HB1 HIS 71 209.335 15.007 10.592 635 HD1 HIS 71 HD1 HIS 71 206.650 14.145 8.714 636 HD2 HIS 71 HD2 HIS 71 207.166 14.230 12.836 637 HE1 HIS 71 HE1 HIS 71 204.335 14.332 9.678 638 HE2 HIS 71 HE2 HIS 71 204.679 14.470 12.169 639 H LEU 72 HN LEU 72 210.368 12.736 6.954 640 HA LEU 72 HA LEU 72 213.030 12.617 8.204 641 1HB LEU 72 HB2 LEU 72 211.836 10.647 6.267 642 2HB LEU 72 HB1 LEU 72 213.462 10.576 6.924 643 HG LEU 72 HG LEU 72 210.853 10.092 8.341 644 1HD1 LEU 72 HD11 LEU 72 212.232 8.317 7.041 645 2HD1 LEU 72 HD12 LEU 72 211.597 7.931 8.640 646 3HD1 LEU 72 HD13 LEU 72 213.293 8.375 8.448 647 1HD2 LEU 72 HD21 LEU 72 212.759 9.680 10.245 648 2HD2 LEU 72 HD22 LEU 72 211.742 11.115 10.127 649 3HD2 LEU 72 HD23 LEU 72 213.364 11.125 9.438 650 H ARG 73 HN ARG 73 214.695 13.427 6.995 651 HA ARG 73 HA ARG 73 214.027 14.329 4.271 652 1HB ARG 73 HB2 ARG 73 215.759 16.203 4.874 653 2HB ARG 73 HB1 ARG 73 214.078 16.348 5.364 654 1HG ARG 73 HG2 ARG 73 216.095 15.129 7.203 655 2HG ARG 73 HG1 ARG 73 215.937 16.882 7.067 656 1HD ARG 73 HD2 ARG 73 213.337 16.108 7.335 657 2HD ARG 73 HD1 ARG 73 214.167 14.916 8.335 658 HE ARG 73 HE ARG 73 213.867 17.730 8.868 659 1HH1 ARG 73 HH11 ARG 73 215.733 14.859 9.545 660 2HH1 ARG 73 HH12 ARG 73 216.317 15.447 11.066 661 1HH2 ARG 73 HH21 ARG 73 214.634 18.503 10.868 662 2HH2 ARG 73 HH22 ARG 73 215.693 17.515 11.817 663 H ALA 74 HN ALA 74 215.046 12.150 3.832 664 HA ALA 74 HA ALA 74 216.755 10.963 2.912 665 1HB ALA 74 HB1 ALA 74 218.179 12.108 1.587 666 2HB ALA 74 HB2 ALA 74 218.640 13.232 2.867 667 3HB ALA 74 HB3 ALA 74 217.119 13.455 2.002 668 H GLU 75 HN GLU 75 218.563 13.347 4.854 669 HA GLU 75 HA GLU 75 220.555 11.723 5.766 670 1HB GLU 75 HB2 GLU 75 219.152 13.953 7.243 671 2HB GLU 75 HB1 GLU 75 220.658 13.221 7.777 672 1HG GLU 75 HG2 GLU 75 220.684 14.144 5.001 673 2HG GLU 75 HG1 GLU 75 220.456 15.420 6.196 674 H ASP 76 HN ASP 76 217.247 11.846 6.850 675 HA ASP 76 HA ASP 76 217.643 10.280 9.214 676 1HB ASP 76 HB2 ASP 76 215.211 11.106 7.641 677 2HB ASP 76 HB1 ASP 76 215.094 10.018 9.021 678 H ALA 77 HN ALA 77 216.809 8.134 9.537 679 HA ALA 77 HA ALA 77 217.442 6.429 7.278 680 1HB ALA 77 HB1 ALA 77 217.482 4.613 8.857 681 2HB ALA 77 HB2 ALA 77 216.796 5.644 10.113 682 3HB ALA 77 HB3 ALA 77 218.415 5.967 9.493 683 H LEU 78 HN LEU 78 216.100 5.065 6.281 684 HA LEU 78 HA LEU 78 213.484 4.415 7.196 685 1HB LEU 78 HB2 LEU 78 213.041 6.693 6.445 686 2HB LEU 78 HB1 LEU 78 213.731 6.326 4.876 687 HG LEU 78 HG LEU 78 211.910 4.599 4.593 688 1HD1 LEU 78 HD11 LEU 78 209.860 5.156 6.033 689 2HD1 LEU 78 HD12 LEU 78 211.020 5.876 7.151 690 3HD1 LEU 78 HD13 LEU 78 211.136 4.165 6.741 691 1HD2 LEU 78 HD21 LEU 78 210.338 6.168 3.793 692 2HD2 LEU 78 HD22 LEU 78 211.918 6.940 3.634 693 3HD2 LEU 78 HD23 LEU 78 210.847 7.387 4.962 694 H PHE 79 HN PHE 79 213.282 2.386 6.551 695 HA PHE 79 HA PHE 79 214.254 1.661 3.864 696 1HB PHE 79 HB2 PHE 79 214.247 -0.105 6.325 697 2HB PHE 79 HB1 PHE 79 214.797 -0.572 4.721 698 HD1 PHE 79 HD1 PHE 79 217.004 -0.237 4.079 699 HD2 PHE 79 HD2 PHE 79 215.488 1.773 7.511 700 HE1 PHE 79 HE1 PHE 79 219.281 0.511 4.642 701 HE2 PHE 79 HE2 PHE 79 217.760 2.526 8.079 702 HZ PHE 79 HZ PHE 79 219.660 1.896 6.644 703 H PHE 80 HN PHE 80 212.779 0.786 2.554 704 HA PHE 80 HA PHE 80 210.096 0.420 3.526 705 1HB PHE 80 HB2 PHE 80 211.372 0.309 0.809 706 2HB PHE 80 HB1 PHE 80 209.723 -0.253 1.051 707 HD1 PHE 80 HD1 PHE 80 210.778 2.069 -0.685 708 HD2 PHE 80 HD2 PHE 80 209.089 1.895 3.218 709 HE1 PHE 80 HE1 PHE 80 209.968 4.377 -0.932 710 HE2 PHE 80 HE2 PHE 80 208.280 4.203 2.977 711 HZ PHE 80 HZ PHE 80 208.716 5.445 0.899 712 H PHE 81 HN PHE 81 208.904 -1.466 3.520 713 HA PHE 81 HA PHE 81 210.334 -3.954 2.982 714 1HB PHE 81 HB2 PHE 81 208.854 -3.356 5.550 715 2HB PHE 81 HB1 PHE 81 209.509 -4.929 5.100 716 HD1 PHE 81 HD1 PHE 81 211.869 -5.366 5.189 717 HD2 PHE 81 HD2 PHE 81 210.325 -1.520 6.151 718 HE1 PHE 81 HE1 PHE 81 214.042 -4.741 6.159 719 HE2 PHE 81 HE2 PHE 81 212.494 -0.886 7.121 720 HZ PHE 81 HZ PHE 81 214.366 -2.495 7.115 721 H VAL 82 HN VAL 82 209.177 -5.024 1.556 722 HA VAL 82 HA VAL 82 206.239 -4.956 1.783 723 HB VAL 82 HB VAL 82 207.097 -3.721 -0.219 724 1HG1 VAL 82 HG11 VAL 82 207.752 -6.267 -1.575 725 2HG1 VAL 82 HG12 VAL 82 208.953 -5.616 -0.460 726 3HG1 VAL 82 HG13 VAL 82 208.399 -4.647 -1.826 727 1HG2 VAL 82 HG21 VAL 82 205.671 -6.094 -1.291 728 2HG2 VAL 82 HG22 VAL 82 205.332 -4.376 -1.507 729 3HG2 VAL 82 HG23 VAL 82 204.902 -5.179 0.004 730 H ASN 83 HN ASN 83 205.472 -6.875 2.357 731 HA ASN 83 HA ASN 83 205.180 -9.131 2.515 732 1HB ASN 83 HB2 ASN 83 207.214 -9.457 0.301 733 2HB ASN 83 HB1 ASN 83 205.938 -10.578 0.768 734 1HD2 ASN 83 HD21 ASN 83 206.245 -9.783 -1.831 735 2HD2 ASN 83 HD22 ASN 83 204.914 -8.784 -2.294 736 H ASN 84 HN ASN 84 207.334 -7.539 3.809 737 HA ASN 84 HA ASN 84 208.741 -8.016 5.546 738 1HB ASN 84 HB2 ASN 84 207.716 -10.500 5.119 739 2HB ASN 84 HB1 ASN 84 209.421 -10.775 4.775 740 1HD2 ASN 84 HD21 ASN 84 207.878 -11.823 6.950 741 2HD2 ASN 84 HD22 ASN 84 208.610 -11.256 8.408 742 H VAL 85 HN VAL 85 209.399 -7.831 2.370 743 HA VAL 85 HA VAL 85 212.290 -8.171 2.782 744 HB VAL 85 HB VAL 85 211.318 -9.655 1.098 745 1HG1 VAL 85 HG11 VAL 85 210.192 -7.166 0.098 746 2HG1 VAL 85 HG12 VAL 85 209.663 -8.829 -0.151 747 3HG1 VAL 85 HG13 VAL 85 210.947 -8.153 -1.153 748 1HG2 VAL 85 HG21 VAL 85 213.681 -8.690 1.029 749 2HG2 VAL 85 HG22 VAL 85 213.089 -7.693 -0.298 750 3HG2 VAL 85 HG23 VAL 85 213.065 -9.450 -0.438 751 H ILE 86 HN ILE 86 213.667 -6.748 1.570 752 HA ILE 86 HA ILE 86 212.637 -4.013 1.603 753 HB ILE 86 HB ILE 86 215.475 -5.005 1.444 754 1HG1 ILE 86 HG12 ILE 86 213.641 -4.213 3.671 755 2HG1 ILE 86 HG11 ILE 86 214.779 -5.552 3.588 756 1HG2 ILE 86 HG21 ILE 86 215.221 -2.827 0.384 757 2HG2 ILE 86 HG22 ILE 86 216.070 -2.660 1.921 758 3HG2 ILE 86 HG23 ILE 86 214.367 -2.217 1.801 759 1HD1 ILE 86 HD11 ILE 86 216.199 -3.087 3.460 760 2HD1 ILE 86 HD12 ILE 86 216.289 -4.370 4.660 761 3HD1 ILE 86 HD13 ILE 86 215.105 -3.077 4.838 762 HA PRO 87 HA PRO 87 212.637 -4.183 -2.887 763 1HB PRO 87 HB2 PRO 87 211.591 -1.748 -3.338 764 2HB PRO 87 HB1 PRO 87 210.609 -3.084 -2.724 765 1HG PRO 87 HG2 PRO 87 211.837 -0.796 -1.237 766 2HG PRO 87 HG1 PRO 87 210.220 -1.504 -1.066 767 1HD PRO 87 HD2 PRO 87 212.312 -2.074 0.603 768 2HD PRO 87 HD1 PRO 87 210.970 -3.192 0.289 769 HA PRO 88 HA PRO 88 216.459 -2.108 -3.799 770 1HB PRO 88 HB2 PRO 88 215.795 -2.335 -6.638 771 2HB PRO 88 HB1 PRO 88 217.058 -3.157 -5.719 772 1HG PRO 88 HG2 PRO 88 214.893 -4.458 -6.679 773 2HG PRO 88 HG1 PRO 88 215.689 -4.924 -5.166 774 1HD PRO 88 HD2 PRO 88 213.196 -3.312 -5.574 775 2HD PRO 88 HD1 PRO 88 213.524 -4.608 -4.402 776 H THR 89 HN THR 89 216.925 -0.001 -3.837 777 HA THR 89 HA THR 89 215.075 2.018 -4.272 778 HB THR 89 HB THR 89 217.182 3.481 -4.575 779 HG1 THR 89 HG1 THR 89 218.448 1.555 -5.197 780 1HG2 THR 89 HG21 THR 89 217.472 3.663 -2.326 781 2HG2 THR 89 HG22 THR 89 217.416 1.919 -2.063 782 3HG2 THR 89 HG23 THR 89 215.927 2.813 -2.370 783 H SER 90 HN SER 90 216.997 0.263 -6.551 784 HA SER 90 HA SER 90 216.732 2.177 -8.681 785 1HB SER 90 HB2 SER 90 217.794 0.492 -10.071 786 2HB SER 90 HB1 SER 90 218.646 0.591 -8.531 787 HG SER 90 HG SER 90 218.202 -1.430 -8.247 788 H ALA 91 HN ALA 91 215.038 -0.697 -7.596 789 HA ALA 91 HA ALA 91 213.498 -1.226 -9.863 790 1HB ALA 91 HB1 ALA 91 213.715 -2.635 -7.771 791 2HB ALA 91 HB2 ALA 91 212.100 -2.524 -8.472 792 3HB ALA 91 HB3 ALA 91 212.510 -1.573 -7.044 793 H THR 92 HN THR 92 211.143 -0.858 -10.111 794 HA THR 92 HA THR 92 210.448 1.887 -9.304 795 HB THR 92 HB THR 92 209.218 2.132 -11.328 796 HG1 THR 92 HG1 THR 92 208.837 0.433 -12.717 797 1HG2 THR 92 HG21 THR 92 211.887 0.857 -11.738 798 2HG2 THR 92 HG22 THR 92 211.409 2.544 -11.930 799 3HG2 THR 92 HG23 THR 92 210.894 1.341 -13.113 800 H MET 93 HN MET 93 208.344 2.355 -8.650 801 HA MET 93 HA MET 93 207.080 0.616 -6.947 802 1HB MET 93 HB2 MET 93 206.065 2.983 -8.484 803 2HB MET 93 HB1 MET 93 204.995 2.068 -7.432 804 1HG MET 93 HG2 MET 93 207.540 2.860 -6.217 805 2HG MET 93 HG1 MET 93 206.477 4.191 -6.664 806 1HE MET 93 HE1 MET 93 205.518 0.607 -5.700 807 2HE MET 93 HE2 MET 93 204.973 0.733 -4.027 808 3HE MET 93 HE3 MET 93 206.692 0.848 -4.406 809 H GLY 94 HN GLY 94 206.467 1.069 -10.405 810 1HA GLY 94 HA2 GLY 94 204.191 -0.567 -10.605 811 2HA GLY 94 HA1 GLY 94 205.314 -0.221 -11.914 812 H GLN 95 HN GLN 95 207.637 -1.347 -10.791 813 HA GLN 95 HA GLN 95 207.332 -4.042 -11.538 814 1HB GLN 95 HB2 GLN 95 209.543 -2.597 -10.081 815 2HB GLN 95 HB1 GLN 95 209.646 -4.293 -10.533 816 1HG GLN 95 HG2 GLN 95 208.924 -3.109 -12.888 817 2HG GLN 95 HG1 GLN 95 209.970 -1.893 -12.155 818 1HE2 GLN 95 HE21 GLN 95 212.101 -2.160 -12.265 819 2HE2 GLN 95 HE22 GLN 95 212.901 -3.584 -12.831 820 H LEU 96 HN LEU 96 207.440 -2.422 -8.415 821 HA LEU 96 HA LEU 96 207.477 -4.766 -6.827 822 1HB LEU 96 HB2 LEU 96 206.333 -2.069 -6.091 823 2HB LEU 96 HB1 LEU 96 206.842 -3.328 -4.982 824 HG LEU 96 HG LEU 96 208.593 -1.611 -6.735 825 1HD1 LEU 96 HD11 LEU 96 208.151 -0.415 -4.806 826 2HD1 LEU 96 HD12 LEU 96 209.640 -1.263 -4.392 827 3HD1 LEU 96 HD13 LEU 96 208.090 -1.861 -3.798 828 1HD2 LEU 96 HD21 LEU 96 209.497 -3.873 -4.963 829 2HD2 LEU 96 HD22 LEU 96 210.487 -2.874 -6.028 830 3HD2 LEU 96 HD23 LEU 96 209.322 -4.008 -6.712 831 H TYR 97 HN TYR 97 204.870 -2.718 -8.058 832 HA TYR 97 HA TYR 97 202.751 -4.066 -6.775 833 1HB TYR 97 HB2 TYR 97 202.438 -1.846 -7.718 834 2HB TYR 97 HB1 TYR 97 202.767 -2.461 -9.336 835 HD1 TYR 97 HD1 TYR 97 201.174 -4.317 -10.208 836 HD2 TYR 97 HD2 TYR 97 200.257 -1.751 -6.945 837 HE1 TYR 97 HE1 TYR 97 198.782 -4.804 -10.508 838 HE2 TYR 97 HE2 TYR 97 197.860 -2.230 -7.232 839 HH TYR 97 HH TYR 97 196.430 -3.957 -8.193 840 H GLN 98 HN GLN 98 204.564 -4.716 -9.677 841 HA GLN 98 HA GLN 98 202.659 -6.684 -10.613 842 1HB GLN 98 HB2 GLN 98 205.383 -5.913 -11.645 843 2HB GLN 98 HB1 GLN 98 204.281 -7.033 -12.433 844 1HG GLN 98 HG2 GLN 98 202.793 -4.712 -11.991 845 2HG GLN 98 HG1 GLN 98 204.371 -4.167 -12.557 846 1HE2 GLN 98 HE21 GLN 98 205.204 -5.372 -14.499 847 2HE2 GLN 98 HE22 GLN 98 204.064 -5.722 -15.749 848 H GLU 99 HN GLU 99 205.556 -6.603 -8.708 849 HA GLU 99 HA GLU 99 205.684 -9.545 -8.824 850 1HB GLU 99 HB2 GLU 99 207.834 -7.490 -8.413 851 2HB GLU 99 HB1 GLU 99 208.074 -9.189 -8.021 852 1HG GLU 99 HG2 GLU 99 207.155 -9.447 -10.516 853 2HG GLU 99 HG1 GLU 99 207.890 -7.850 -10.642 854 H HIS 100 HN HIS 100 204.517 -7.227 -6.801 855 HA HIS 100 HA HIS 100 205.019 -8.963 -4.497 856 1HB HIS 100 HB2 HIS 100 205.484 -5.982 -4.489 857 2HB HIS 100 HB1 HIS 100 205.433 -6.985 -3.043 858 HD1 HIS 100 HD1 HIS 100 207.560 -8.110 -2.373 859 HD2 HIS 100 HD2 HIS 100 207.695 -6.662 -6.266 860 HE1 HIS 100 HE1 HIS 100 209.938 -8.429 -3.125 861 HE2 HIS 100 HE2 HIS 100 210.015 -7.468 -5.455 862 H HIS 101 HN HIS 101 202.716 -7.554 -6.343 863 HA HIS 101 HA HIS 101 200.958 -6.572 -4.314 864 1HB HIS 101 HB2 HIS 101 199.300 -6.374 -6.032 865 2HB HIS 101 HB1 HIS 101 200.838 -5.883 -6.723 866 HD1 HIS 101 HD1 HIS 101 202.068 -8.007 -8.088 867 HD2 HIS 101 HD2 HIS 101 197.943 -8.089 -7.599 868 HE1 HIS 101 HE1 HIS 101 201.218 -9.617 -9.821 869 HE2 HIS 101 HE2 HIS 101 198.713 -9.576 -9.571 870 H GLU 102 HN GLU 102 200.342 -7.941 -2.759 871 HA GLU 102 HA GLU 102 199.883 -10.729 -3.245 872 1HB GLU 102 HB2 GLU 102 199.359 -8.981 -0.835 873 2HB GLU 102 HB1 GLU 102 199.084 -10.717 -0.860 874 1HG GLU 102 HG2 GLU 102 201.762 -9.639 -1.604 875 2HG GLU 102 HG1 GLU 102 201.300 -9.748 0.094 876 H GLU 103 HN GLU 103 198.308 -9.917 -5.050 877 HA GLU 103 HA GLU 103 196.189 -9.818 -5.869 878 1HB GLU 103 HB2 GLU 103 196.254 -11.918 -4.161 879 2HB GLU 103 HB1 GLU 103 194.970 -10.964 -3.429 880 1HG GLU 103 HG2 GLU 103 193.638 -12.042 -4.854 881 2HG GLU 103 HG1 GLU 103 194.258 -10.906 -6.050 882 H ASP 104 HN ASP 104 193.753 -9.280 -5.007 883 HA ASP 104 HA ASP 104 192.328 -7.744 -4.082 884 1HB ASP 104 HB2 ASP 104 194.353 -7.940 -2.142 885 2HB ASP 104 HB1 ASP 104 194.138 -6.213 -2.419 886 H PHE 105 HN PHE 105 194.793 -7.195 -6.086 887 HA PHE 105 HA PHE 105 195.406 -5.522 -7.494 888 1HB PHE 105 HB2 PHE 105 192.691 -4.448 -6.702 889 2HB PHE 105 HB1 PHE 105 193.657 -3.838 -8.041 890 HD1 PHE 105 HD1 PHE 105 192.444 -7.149 -6.793 891 HD2 PHE 105 HD2 PHE 105 193.048 -4.565 -10.122 892 HE1 PHE 105 HE1 PHE 105 191.453 -8.837 -8.279 893 HE2 PHE 105 HE2 PHE 105 192.058 -6.251 -11.613 894 HZ PHE 105 HZ PHE 105 191.258 -8.390 -10.692 895 H PHE 106 HN PHE 106 195.695 -5.222 -4.400 896 HA PHE 106 HA PHE 106 196.427 -2.382 -4.460 897 1HB PHE 106 HB2 PHE 106 194.837 -3.891 -2.546 898 2HB PHE 106 HB1 PHE 106 196.177 -3.044 -1.780 899 HD1 PHE 106 HD1 PHE 106 195.273 -1.211 -0.712 900 HD2 PHE 106 HD2 PHE 106 194.088 -2.125 -4.694 901 HE1 PHE 106 HE1 PHE 106 193.989 0.888 -0.799 902 HE2 PHE 106 HE2 PHE 106 192.796 -0.013 -4.790 903 HZ PHE 106 HZ PHE 106 192.750 1.488 -2.841 904 H LEU 107 HN LEU 107 198.491 -2.028 -4.362 905 HA LEU 107 HA LEU 107 200.363 -4.072 -3.513 906 1HB LEU 107 HB2 LEU 107 200.935 -2.810 -5.478 907 2HB LEU 107 HB1 LEU 107 200.656 -1.290 -4.660 908 HG LEU 107 HG LEU 107 203.044 -1.691 -5.032 909 1HD1 LEU 107 HD11 LEU 107 203.721 -0.863 -3.046 910 2HD1 LEU 107 HD12 LEU 107 202.769 -2.013 -2.106 911 3HD1 LEU 107 HD13 LEU 107 201.984 -0.635 -2.877 912 1HD2 LEU 107 HD21 LEU 107 203.616 -3.877 -4.993 913 2HD2 LEU 107 HD22 LEU 107 202.372 -4.293 -3.815 914 3HD2 LEU 107 HD23 LEU 107 203.888 -3.570 -3.276 915 H TYR 108 HN TYR 108 200.864 -4.261 -1.370 916 HA TYR 108 HA TYR 108 200.668 -1.817 0.259 917 1HB TYR 108 HB2 TYR 108 199.644 -2.965 1.935 918 2HB TYR 108 HB1 TYR 108 199.205 -4.039 0.615 919 HD1 TYR 108 HD1 TYR 108 199.807 -4.246 3.761 920 HD2 TYR 108 HD2 TYR 108 201.692 -5.570 0.201 921 HE1 TYR 108 HE1 TYR 108 200.822 -6.122 5.009 922 HE2 TYR 108 HE2 TYR 108 202.719 -7.446 1.421 923 HH TYR 108 HH TYR 108 202.482 -7.721 4.907 924 H ILE 109 HN ILE 109 202.276 -1.200 1.588 925 HA ILE 109 HA ILE 109 204.753 -2.782 1.613 926 HB ILE 109 HB ILE 109 204.512 0.119 0.846 927 1HG1 ILE 109 HG12 ILE 109 204.859 -2.411 -0.703 928 2HG1 ILE 109 HG11 ILE 109 203.824 -1.029 -1.018 929 1HG2 ILE 109 HG21 ILE 109 206.929 -1.635 1.217 930 2HG2 ILE 109 HG22 ILE 109 206.561 -0.100 2.007 931 3HG2 ILE 109 HG23 ILE 109 206.968 -0.132 0.294 932 1HD1 ILE 109 HD11 ILE 109 206.796 -1.161 -1.422 933 2HD1 ILE 109 HD12 ILE 109 205.801 0.274 -1.671 934 3HD1 ILE 109 HD13 ILE 109 205.555 -1.156 -2.677 935 H ALA 110 HN ALA 110 206.406 -1.822 3.114 936 HA ALA 110 HA ALA 110 205.251 -0.321 5.373 937 1HB ALA 110 HB1 ALA 110 206.400 -1.777 6.957 938 2HB ALA 110 HB2 ALA 110 206.942 -2.802 5.628 939 3HB ALA 110 HB3 ALA 110 205.222 -2.674 5.999 940 H TYR 111 HN TYR 111 206.962 0.501 6.835 941 HA TYR 111 HA TYR 111 209.575 0.877 5.606 942 1HB TYR 111 HB2 TYR 111 209.491 3.269 5.581 943 2HB TYR 111 HB1 TYR 111 208.069 2.689 4.721 944 HD1 TYR 111 HD1 TYR 111 205.897 3.241 5.468 945 HD2 TYR 111 HD2 TYR 111 209.243 4.097 7.911 946 HE1 TYR 111 HE1 TYR 111 204.447 4.551 6.956 947 HE2 TYR 111 HE2 TYR 111 207.820 5.410 9.427 948 HH TYR 111 HH TYR 111 204.372 5.383 9.182 949 H SER 112 HN SER 112 211.158 0.949 7.090 950 HA SER 112 HA SER 112 210.479 1.582 9.893 951 1HB SER 112 HB2 SER 112 210.774 -0.582 10.392 952 2HB SER 112 HB1 SER 112 211.414 -0.948 8.793 953 HG SER 112 HG SER 112 212.771 -0.150 11.122 954 H ASP 113 HN ASP 113 212.494 1.952 11.212 955 HA ASP 113 HA ASP 113 214.227 3.747 9.728 956 1HB ASP 113 HB2 ASP 113 213.218 4.450 11.881 957 2HB ASP 113 HB1 ASP 113 214.128 3.181 12.699 958 H GLU 114 HN GLU 114 214.301 0.567 10.072 959 HA GLU 114 HA GLU 114 217.238 0.465 10.138 960 1HB GLU 114 HB2 GLU 114 215.408 -1.567 11.432 961 2HB GLU 114 HB1 GLU 114 217.164 -1.640 11.374 962 1HG GLU 114 HG2 GLU 114 217.138 0.570 12.632 963 2HG GLU 114 HG1 GLU 114 215.428 0.252 12.919 964 H SER 115 HN SER 115 217.955 -1.804 9.299 965 HA SER 115 HA SER 115 216.805 -2.063 6.676 966 1HB SER 115 HB2 SER 115 218.580 -3.732 6.281 967 2HB SER 115 HB1 SER 115 219.228 -2.235 6.956 968 HG SER 115 HG SER 115 218.569 -4.502 8.525 969 H VAL 116 HN VAL 116 215.779 -3.276 9.533 970 HA VAL 116 HA VAL 116 214.824 -5.769 8.327 971 HB VAL 116 HB VAL 116 214.099 -5.695 11.066 972 1HG1 VAL 116 HG11 VAL 116 214.467 -7.738 9.931 973 2HG1 VAL 116 HG12 VAL 116 215.702 -7.635 11.186 974 3HG1 VAL 116 HG13 VAL 116 216.119 -7.290 9.508 975 1HG2 VAL 116 HG21 VAL 116 216.422 -5.660 12.079 976 2HG2 VAL 116 HG22 VAL 116 215.748 -4.094 11.625 977 3HG2 VAL 116 HG23 VAL 116 216.956 -4.866 10.598 978 H TYR 117 HN TYR 117 212.570 -6.271 8.748 979 HA TYR 117 HA TYR 117 210.864 -4.117 8.158 980 1HB TYR 117 HB2 TYR 117 210.143 -6.285 7.491 981 2HB TYR 117 HB1 TYR 117 210.299 -6.920 9.127 982 HD1 TYR 117 HD1 TYR 117 208.618 -3.910 7.706 983 HD2 TYR 117 HD2 TYR 117 208.227 -7.486 9.965 984 HE1 TYR 117 HE1 TYR 117 206.267 -3.363 8.144 985 HE2 TYR 117 HE2 TYR 117 205.871 -6.954 10.412 986 HH TYR 117 HH TYR 117 204.254 -4.279 8.844 987 H GLY 118 HN GLY 118 211.767 -2.737 9.967 988 1HA GLY 118 HA2 GLY 118 211.325 -1.571 11.894 989 2HA GLY 118 HA1 GLY 118 209.796 -2.435 11.965 990 H LEU 119 HN LEU 119 210.064 -4.799 12.604 991 HA LEU 119 HA LEU 119 210.463 -5.327 15.102 992 1HB LEU 119 HB2 LEU 119 211.392 -6.954 12.765 993 2HB LEU 119 HB1 LEU 119 211.564 -7.563 14.404 994 HG LEU 119 HG LEU 119 208.879 -6.557 13.877 995 1HD1 LEU 119 HD11 LEU 119 209.790 -7.594 11.629 996 2HD1 LEU 119 HD12 LEU 119 208.154 -7.931 12.198 997 3HD1 LEU 119 HD13 LEU 119 209.441 -9.111 12.457 998 1HD2 LEU 119 HD21 LEU 119 209.878 -9.263 14.745 999 2HD2 LEU 119 HD22 LEU 119 208.245 -8.624 14.931 1000 3HD2 LEU 119 HD23 LEU 119 209.583 -7.897 15.823 Start of MODEL 5 1 1H GLY 1 HT1 GLY 1 207.004 -14.466 6.330 2 2H GLY 1 HT2 GLY 1 207.634 -13.768 7.735 3 3H GLY 1 HT3 GLY 1 207.464 -12.838 6.333 4 1HA GLY 1 HA1 GLY 1 205.339 -12.370 6.727 5 2HA GLY 1 HA2 GLY 1 204.996 -14.042 7.146 6 H SER 2 HN SER 2 205.640 -10.885 8.322 7 HA SER 2 HA SER 2 204.725 -11.550 10.932 8 1HB SER 2 HB2 SER 2 206.677 -11.252 12.228 9 2HB SER 2 HB1 SER 2 207.171 -12.324 10.918 10 HG SER 2 HG SER 2 207.858 -9.670 11.411 11 H MET 3 HN MET 3 203.804 -9.744 9.078 12 HA MET 3 HA MET 3 204.744 -7.127 9.984 13 1HB MET 3 HB2 MET 3 202.875 -7.878 7.730 14 2HB MET 3 HB1 MET 3 203.312 -6.228 8.154 15 1HG MET 3 HG2 MET 3 205.754 -7.177 7.837 16 2HG MET 3 HG1 MET 3 204.905 -8.325 6.800 17 1HE MET 3 HE1 MET 3 205.172 -3.916 6.787 18 2HE MET 3 HE2 MET 3 206.627 -4.563 6.024 19 3HE MET 3 HE3 MET 3 206.149 -5.123 7.625 20 H LYS 4 HN LYS 4 203.446 -5.656 11.019 21 HA LYS 4 HA LYS 4 200.831 -6.661 11.939 22 1HB LYS 4 HB2 LYS 4 203.019 -5.206 13.364 23 2HB LYS 4 HB1 LYS 4 201.357 -4.932 13.865 24 1HG LYS 4 HG2 LYS 4 202.356 -6.645 15.230 25 2HG LYS 4 HG1 LYS 4 201.086 -7.349 14.226 26 1HD LYS 4 HD2 LYS 4 202.579 -8.496 12.904 27 2HD LYS 4 HD1 LYS 4 203.894 -7.363 13.224 28 1HE LYS 4 HE2 LYS 4 202.865 -8.884 15.540 29 2HE LYS 4 HE1 LYS 4 203.748 -9.806 14.325 30 1HZ LYS 4 HZ1 LYS 4 205.484 -9.139 15.583 31 2HZ LYS 4 HZ2 LYS 4 204.705 -7.752 16.157 32 3HZ LYS 4 HZ3 LYS 4 205.388 -7.759 14.609 33 H PHE 5 HN PHE 5 199.932 -5.659 10.018 34 HA PHE 5 HA PHE 5 199.980 -2.745 9.930 35 1HB PHE 5 HB2 PHE 5 198.951 -4.869 8.063 36 2HB PHE 5 HB1 PHE 5 198.546 -3.173 7.839 37 HD1 PHE 5 HD1 PHE 5 201.779 -3.522 9.251 38 HD2 PHE 5 HD2 PHE 5 199.646 -3.736 5.573 39 HE1 PHE 5 HE1 PHE 5 203.876 -3.185 8.016 40 HE2 PHE 5 HE2 PHE 5 201.749 -3.395 4.340 41 HZ PHE 5 HZ PHE 5 203.855 -3.125 5.553 42 H VAL 6 HN VAL 6 197.635 -1.920 9.092 43 HA VAL 6 HA VAL 6 195.542 -3.069 10.767 44 HB VAL 6 HB VAL 6 195.053 -0.459 11.295 45 1HG1 VAL 6 HG11 VAL 6 196.215 -0.955 13.532 46 2HG1 VAL 6 HG12 VAL 6 196.574 -2.533 12.832 47 3HG1 VAL 6 HG13 VAL 6 194.900 -2.014 13.021 48 1HG2 VAL 6 HG21 VAL 6 197.510 -0.192 10.246 49 2HG2 VAL 6 HG22 VAL 6 197.937 -0.488 11.930 50 3HG2 VAL 6 HG23 VAL 6 196.878 0.859 11.512 51 H TYR 7 HN TYR 7 195.836 0.073 9.074 52 HA TYR 7 HA TYR 7 193.300 0.168 8.063 53 1HB TYR 7 HB2 TYR 7 195.306 1.851 7.844 54 2HB TYR 7 HB1 TYR 7 195.521 1.075 6.277 55 HD1 TYR 7 HD1 TYR 7 194.727 2.459 4.609 56 HD2 TYR 7 HD2 TYR 7 192.491 2.098 8.209 57 HE1 TYR 7 HE1 TYR 7 192.969 3.890 3.654 58 HE2 TYR 7 HE2 TYR 7 190.727 3.525 7.266 59 HH TYR 7 HH TYR 7 190.470 4.235 4.028 60 H LYS 8 HN LYS 8 196.118 -1.243 6.377 61 HA LYS 8 HA LYS 8 194.518 -2.239 4.229 62 1HB LYS 8 HB2 LYS 8 196.891 -1.766 3.885 63 2HB LYS 8 HB1 LYS 8 197.332 -2.984 5.077 64 1HG LYS 8 HG2 LYS 8 197.599 -4.262 3.248 65 2HG LYS 8 HG1 LYS 8 195.861 -4.497 3.423 66 1HD LYS 8 HD2 LYS 8 196.200 -2.113 1.969 67 2HD LYS 8 HD1 LYS 8 197.318 -3.283 1.270 68 1HE LYS 8 HE2 LYS 8 194.481 -4.043 1.840 69 2HE LYS 8 HE1 LYS 8 194.886 -3.147 0.377 70 1HZ LYS 8 HZ1 LYS 8 196.030 -5.770 1.175 71 2HZ LYS 8 HZ2 LYS 8 196.433 -4.909 -0.224 72 3HZ LYS 8 HZ3 LYS 8 194.868 -5.522 -0.030 73 H GLU 9 HN GLU 9 195.617 -3.477 7.307 74 HA GLU 9 HA GLU 9 195.012 -6.196 6.869 75 1HB GLU 9 HB2 GLU 9 195.991 -4.571 8.994 76 2HB GLU 9 HB1 GLU 9 194.689 -5.577 9.613 77 1HG GLU 9 HG2 GLU 9 196.943 -6.577 9.826 78 2HG GLU 9 HG1 GLU 9 195.794 -7.563 8.926 79 H GLU 10 HN GLU 10 193.275 -3.819 8.865 80 HA GLU 10 HA GLU 10 190.982 -5.274 9.334 81 1HB GLU 10 HB2 GLU 10 191.203 -2.281 8.950 82 2HB GLU 10 HB1 GLU 10 189.872 -3.114 9.741 83 1HG GLU 10 HG2 GLU 10 191.814 -4.061 11.250 84 2HG GLU 10 HG1 GLU 10 192.631 -2.597 10.704 85 H HIS 11 HN HIS 11 191.499 -2.885 6.726 86 HA HIS 11 HA HIS 11 189.070 -3.043 5.447 87 1HB HIS 11 HB2 HIS 11 191.834 -2.422 4.593 88 2HB HIS 11 HB1 HIS 11 190.706 -2.825 3.304 89 HD1 HIS 11 HD1 HIS 11 190.906 -0.435 6.256 90 HD2 HIS 11 HD2 HIS 11 189.210 -0.726 2.475 91 HE1 HIS 11 HE1 HIS 11 189.806 1.788 5.840 92 HE2 HIS 11 HE2 HIS 11 188.706 1.554 3.586 93 HA PRO 12 HA PRO 12 188.850 -7.543 4.729 94 1HB PRO 12 HB2 PRO 12 186.740 -6.658 2.885 95 2HB PRO 12 HB1 PRO 12 186.656 -7.800 4.225 96 1HG PRO 12 HG2 PRO 12 185.755 -5.131 4.216 97 2HG PRO 12 HG1 PRO 12 185.876 -6.208 5.612 98 1HD PRO 12 HD2 PRO 12 187.398 -3.874 5.099 99 2HD PRO 12 HD1 PRO 12 187.628 -5.043 6.407 100 H PHE 13 HN PHE 13 188.625 -8.844 2.654 101 HA PHE 13 HA PHE 13 190.659 -8.025 0.850 102 1HB PHE 13 HB2 PHE 13 189.935 -10.427 1.534 103 2HB PHE 13 HB1 PHE 13 188.744 -10.254 0.250 104 HD1 PHE 13 HD1 PHE 13 189.904 -9.154 -1.982 105 HD2 PHE 13 HD2 PHE 13 191.809 -11.590 0.946 106 HE1 PHE 13 HE1 PHE 13 191.597 -9.816 -3.638 107 HE2 PHE 13 HE2 PHE 13 193.507 -12.255 -0.707 108 HZ PHE 13 HZ PHE 13 193.404 -11.369 -3.002 109 H GLU 14 HN GLU 14 187.146 -8.442 0.496 110 HA GLU 14 HA GLU 14 186.910 -7.734 -2.172 111 1HB GLU 14 HB2 GLU 14 185.126 -7.817 0.161 112 2HB GLU 14 HB1 GLU 14 184.629 -6.674 -1.079 113 1HG GLU 14 HG2 GLU 14 184.000 -8.287 -2.485 114 2HG GLU 14 HG1 GLU 14 185.406 -9.287 -2.124 115 H LYS 15 HN LYS 15 187.601 -5.764 0.573 116 HA LYS 15 HA LYS 15 186.879 -3.268 -0.634 117 1HB LYS 15 HB2 LYS 15 188.711 -3.722 1.722 118 2HB LYS 15 HB1 LYS 15 187.826 -2.254 1.323 119 1HG LYS 15 HG2 LYS 15 186.232 -4.708 1.711 120 2HG LYS 15 HG1 LYS 15 186.989 -4.002 3.136 121 1HD LYS 15 HD2 LYS 15 185.993 -1.802 2.430 122 2HD LYS 15 HD1 LYS 15 185.058 -2.707 1.235 123 1HE LYS 15 HE2 LYS 15 184.243 -4.129 3.167 124 2HE LYS 15 HE1 LYS 15 184.954 -2.919 4.233 125 1HZ LYS 15 HZ1 LYS 15 183.509 -1.372 2.624 126 2HZ LYS 15 HZ2 LYS 15 182.916 -2.016 4.070 127 3HZ LYS 15 HZ3 LYS 15 182.558 -2.771 2.600 128 H ARG 16 HN ARG 16 190.089 -4.358 0.495 129 HA ARG 16 HA ARG 16 191.579 -2.565 -0.994 130 1HB ARG 16 HB2 ARG 16 193.410 -4.374 -0.868 131 2HB ARG 16 HB1 ARG 16 192.785 -3.719 0.638 132 1HG ARG 16 HG2 ARG 16 191.142 -5.861 0.249 133 2HG ARG 16 HG1 ARG 16 192.663 -6.438 -0.429 134 1HD ARG 16 HD2 ARG 16 193.819 -5.878 1.636 135 2HD ARG 16 HD1 ARG 16 192.325 -5.238 2.316 136 HE ARG 16 HE ARG 16 191.634 -7.383 2.749 137 1HH1 ARG 16 HH11 ARG 16 194.396 -7.475 0.615 138 2HH1 ARG 16 HH12 ARG 16 194.601 -9.188 0.752 139 1HH2 ARG 16 HH21 ARG 16 191.904 -9.637 2.929 140 2HH2 ARG 16 HH22 ARG 16 193.187 -10.416 2.064 141 H ARG 17 HN ARG 17 190.041 -5.523 -1.974 142 HA ARG 17 HA ARG 17 191.425 -5.766 -4.476 143 1HB ARG 17 HB2 ARG 17 190.408 -7.705 -3.319 144 2HB ARG 17 HB1 ARG 17 188.815 -7.009 -3.588 145 1HG ARG 17 HG2 ARG 17 189.136 -7.185 -6.000 146 2HG ARG 17 HG1 ARG 17 190.742 -7.870 -5.737 147 1HD ARG 17 HD2 ARG 17 189.607 -9.688 -4.400 148 2HD ARG 17 HD1 ARG 17 188.076 -9.064 -5.012 149 HE ARG 17 HE ARG 17 189.943 -10.687 -6.419 150 1HH1 ARG 17 HH11 ARG 17 187.599 -8.136 -6.838 151 2HH1 ARG 17 HH12 ARG 17 187.278 -8.532 -8.493 152 1HH2 ARG 17 HH21 ARG 17 189.522 -11.211 -8.595 153 2HH2 ARG 17 HH22 ARG 17 188.369 -10.278 -9.491 154 H SER 18 HN SER 18 188.156 -4.741 -3.515 155 HA SER 18 HA SER 18 187.103 -4.102 -5.956 156 1HB SER 18 HB2 SER 18 185.640 -3.982 -4.114 157 2HB SER 18 HB1 SER 18 186.701 -2.882 -3.233 158 HG SER 18 HG SER 18 185.429 -1.412 -4.042 159 H GLU 19 HN GLU 19 188.490 -1.662 -3.760 160 HA GLU 19 HA GLU 19 188.615 0.467 -5.468 161 1HB GLU 19 HB2 GLU 19 189.730 -0.230 -2.959 162 2HB GLU 19 HB1 GLU 19 191.017 0.468 -3.930 163 1HG GLU 19 HG2 GLU 19 190.080 2.520 -3.953 164 2HG GLU 19 HG1 GLU 19 188.434 1.890 -3.923 165 H GLY 20 HN GLY 20 191.113 -2.024 -5.031 166 1HA GLY 20 HA2 GLY 20 192.997 -0.993 -6.815 167 2HA GLY 20 HA1 GLY 20 192.834 -2.691 -6.395 168 H GLU 21 HN GLU 21 190.488 -3.448 -7.441 169 HA GLU 21 HA GLU 21 191.006 -3.928 -10.091 170 1HB GLU 21 HB2 GLU 21 189.442 -5.317 -9.076 171 2HB GLU 21 HB1 GLU 21 188.484 -3.970 -8.476 172 1HG GLU 21 HG2 GLU 21 187.336 -3.754 -10.394 173 2HG GLU 21 HG1 GLU 21 188.713 -4.203 -11.398 174 H LYS 22 HN LYS 22 189.665 -1.072 -8.669 175 HA LYS 22 HA LYS 22 188.704 -0.103 -11.243 176 1HB LYS 22 HB2 LYS 22 187.162 0.533 -9.657 177 2HB LYS 22 HB1 LYS 22 188.375 0.739 -8.401 178 1HG LYS 22 HG2 LYS 22 188.453 2.634 -10.675 179 2HG LYS 22 HG1 LYS 22 187.108 2.782 -9.541 180 1HD LYS 22 HD2 LYS 22 189.491 2.427 -8.032 181 2HD LYS 22 HD1 LYS 22 189.798 3.672 -9.244 182 1HE LYS 22 HE2 LYS 22 188.786 5.102 -7.870 183 2HE LYS 22 HE1 LYS 22 187.277 4.285 -8.269 184 1HZ LYS 22 HZ1 LYS 22 188.869 4.155 -5.849 185 2HZ LYS 22 HZ2 LYS 22 188.228 2.680 -6.372 186 3HZ LYS 22 HZ3 LYS 22 187.198 3.984 -6.058 187 H ILE 23 HN ILE 23 191.043 0.776 -8.736 188 HA ILE 23 HA ILE 23 192.160 3.004 -10.018 189 HB ILE 23 HB ILE 23 193.227 1.062 -7.984 190 1HG1 ILE 23 HG12 ILE 23 192.719 3.987 -7.590 191 2HG1 ILE 23 HG11 ILE 23 191.372 2.853 -7.595 192 1HG2 ILE 23 HG21 ILE 23 194.623 3.622 -8.669 193 2HG2 ILE 23 HG22 ILE 23 195.066 2.097 -9.431 194 3HG2 ILE 23 HG23 ILE 23 195.199 2.284 -7.684 195 1HD1 ILE 23 HD11 ILE 23 193.158 3.498 -5.490 196 2HD1 ILE 23 HD12 ILE 23 193.353 1.792 -5.895 197 3HD1 ILE 23 HD13 ILE 23 191.761 2.422 -5.471 198 H ARG 24 HN ARG 24 192.546 -0.402 -10.529 199 HA ARG 24 HA ARG 24 194.987 -0.188 -12.045 200 1HB ARG 24 HB2 ARG 24 193.009 -2.440 -11.656 201 2HB ARG 24 HB1 ARG 24 194.491 -2.593 -12.591 202 1HG ARG 24 HG2 ARG 24 194.208 -2.113 -9.641 203 2HG ARG 24 HG1 ARG 24 194.927 -3.501 -10.454 204 1HD ARG 24 HD2 ARG 24 196.012 -0.736 -10.097 205 2HD ARG 24 HD1 ARG 24 196.773 -2.285 -9.744 206 HE ARG 24 HE ARG 24 196.892 -0.854 -12.191 207 1HH1 ARG 24 HH11 ARG 24 196.744 -4.093 -10.898 208 2HH1 ARG 24 HH12 ARG 24 197.530 -4.808 -12.265 209 1HH2 ARG 24 HH21 ARG 24 197.928 -1.793 -13.987 210 2HH2 ARG 24 HH22 ARG 24 198.204 -3.504 -14.018 211 H LYS 25 HN LYS 25 191.551 -0.640 -12.706 212 HA LYS 25 HA LYS 25 191.834 -0.832 -15.534 213 1HB LYS 25 HB2 LYS 25 189.461 -0.229 -13.774 214 2HB LYS 25 HB1 LYS 25 189.362 -0.573 -15.501 215 1HG LYS 25 HG2 LYS 25 190.175 -2.800 -15.166 216 2HG LYS 25 HG1 LYS 25 190.519 -2.466 -13.467 217 1HD LYS 25 HD2 LYS 25 188.470 -3.714 -13.597 218 2HD LYS 25 HD1 LYS 25 188.081 -2.056 -13.128 219 1HE LYS 25 HE2 LYS 25 187.966 -1.949 -15.866 220 2HE LYS 25 HE1 LYS 25 187.337 -3.559 -15.520 221 1HZ LYS 25 HZ1 LYS 25 185.766 -1.498 -15.547 222 2HZ LYS 25 HZ2 LYS 25 186.326 -1.284 -13.967 223 3HZ LYS 25 HZ3 LYS 25 185.547 -2.722 -14.399 224 H LYS 26 HN LYS 26 191.028 1.752 -13.281 225 HA LYS 26 HA LYS 26 190.499 3.667 -15.327 226 1HB LYS 26 HB2 LYS 26 189.762 3.518 -12.768 227 2HB LYS 26 HB1 LYS 26 191.164 4.565 -12.589 228 1HG LYS 26 HG2 LYS 26 190.235 6.219 -13.975 229 2HG LYS 26 HG1 LYS 26 188.984 5.122 -14.568 230 1HD LYS 26 HD2 LYS 26 187.720 5.313 -12.670 231 2HD LYS 26 HD1 LYS 26 189.113 5.670 -11.649 232 1HE LYS 26 HE2 LYS 26 188.312 7.771 -11.712 233 2HE LYS 26 HE1 LYS 26 189.126 7.828 -13.275 234 1HZ LYS 26 HZ1 LYS 26 187.125 7.458 -14.402 235 2HZ LYS 26 HZ2 LYS 26 186.729 8.585 -13.205 236 3HZ LYS 26 HZ3 LYS 26 186.310 6.959 -13.006 237 H TYR 27 HN TYR 27 193.208 2.817 -13.282 238 HA TYR 27 HA TYR 27 194.873 4.705 -14.814 239 1HB TYR 27 HB2 TYR 27 195.712 3.904 -12.070 240 2HB TYR 27 HB1 TYR 27 196.009 5.404 -12.938 241 HD1 TYR 27 HD1 TYR 27 194.786 4.556 -10.051 242 HD2 TYR 27 HD2 TYR 27 193.259 6.228 -13.647 243 HE1 TYR 27 HE1 TYR 27 192.978 5.625 -8.773 244 HE2 TYR 27 HE2 TYR 27 191.446 7.307 -12.383 245 HH TYR 27 HH TYR 27 190.303 6.583 -9.825 246 HA PRO 28 HA PRO 28 196.641 0.581 -15.638 247 1HB PRO 28 HB2 PRO 28 197.550 1.753 -18.138 248 2HB PRO 28 HB1 PRO 28 196.391 0.447 -17.883 249 1HG PRO 28 HG2 PRO 28 195.677 2.896 -18.821 250 2HG PRO 28 HG1 PRO 28 194.592 1.872 -17.864 251 1HD PRO 28 HD2 PRO 28 196.247 4.212 -16.992 252 2HD PRO 28 HD1 PRO 28 194.573 3.793 -16.564 253 H ASP 29 HN ASP 29 198.024 3.717 -15.426 254 HA ASP 29 HA ASP 29 200.740 2.594 -15.532 255 1HB ASP 29 HB2 ASP 29 199.869 5.485 -15.706 256 2HB ASP 29 HB1 ASP 29 201.523 4.897 -15.849 257 H ARG 30 HN ARG 30 198.506 3.026 -13.276 258 HA ARG 30 HA ARG 30 200.442 3.980 -11.264 259 1HB ARG 30 HB2 ARG 30 197.433 4.254 -11.288 260 2HB ARG 30 HB1 ARG 30 198.446 4.648 -9.909 261 1HG ARG 30 HG2 ARG 30 199.484 6.013 -12.164 262 2HG ARG 30 HG1 ARG 30 197.739 6.272 -12.117 263 1HD ARG 30 HD2 ARG 30 197.934 6.950 -9.757 264 2HD ARG 30 HD1 ARG 30 199.685 6.770 -9.872 265 HE ARG 30 HE ARG 30 198.134 8.980 -10.767 266 1HH1 ARG 30 HH11 ARG 30 200.993 7.115 -11.497 267 2HH1 ARG 30 HH12 ARG 30 201.784 8.419 -12.317 268 1HH2 ARG 30 HH21 ARG 30 199.176 10.695 -11.844 269 2HH2 ARG 30 HH22 ARG 30 200.755 10.451 -12.512 270 H VAL 31 HN VAL 31 200.218 3.035 -9.121 271 HA VAL 31 HA VAL 31 198.903 0.414 -9.101 272 HB VAL 31 HB VAL 31 200.759 -0.656 -8.015 273 1HG1 VAL 31 HG11 VAL 31 202.346 0.561 -10.135 274 2HG1 VAL 31 HG12 VAL 31 200.725 0.088 -10.645 275 3HG1 VAL 31 HG13 VAL 31 201.807 -1.106 -9.928 276 1HG2 VAL 31 HG21 VAL 31 201.707 2.070 -7.615 277 2HG2 VAL 31 HG22 VAL 31 202.963 0.990 -8.218 278 3HG2 VAL 31 HG23 VAL 31 202.098 0.589 -6.733 279 HA PRO 32 HA PRO 32 197.298 2.325 -5.365 280 1HB PRO 32 HB2 PRO 32 195.859 0.138 -4.552 281 2HB PRO 32 HB1 PRO 32 195.280 1.311 -5.739 282 1HG PRO 32 HG2 PRO 32 196.526 -1.368 -6.175 283 2HG PRO 32 HG1 PRO 32 195.157 -0.623 -7.019 284 1HD PRO 32 HD2 PRO 32 197.630 -0.708 -8.088 285 2HD PRO 32 HD1 PRO 32 196.533 0.661 -8.364 286 H VAL 33 HN VAL 33 198.920 2.518 -3.935 287 HA VAL 33 HA VAL 33 200.011 0.076 -2.727 288 HB VAL 33 HB VAL 33 201.202 2.842 -2.911 289 1HG1 VAL 33 HG11 VAL 33 203.253 1.741 -1.985 290 2HG1 VAL 33 HG12 VAL 33 202.245 0.356 -1.575 291 3HG1 VAL 33 HG13 VAL 33 201.923 1.924 -0.841 292 1HG2 VAL 33 HG21 VAL 33 202.881 1.731 -4.337 293 2HG2 VAL 33 HG22 VAL 33 201.256 1.664 -5.019 294 3HG2 VAL 33 HG23 VAL 33 201.950 0.231 -4.243 295 H ILE 34 HN ILE 34 200.309 -0.076 -0.508 296 HA ILE 34 HA ILE 34 198.981 1.959 1.138 297 HB ILE 34 HB ILE 34 198.588 -1.021 1.291 298 1HG1 ILE 34 HG12 ILE 34 197.134 0.522 -0.155 299 2HG1 ILE 34 HG11 ILE 34 196.303 -0.553 0.962 300 1HG2 ILE 34 HG21 ILE 34 197.110 0.081 3.354 301 2HG2 ILE 34 HG22 ILE 34 198.671 0.892 3.471 302 3HG2 ILE 34 HG23 ILE 34 198.586 -0.867 3.514 303 1HD1 ILE 34 HD11 ILE 34 196.943 2.109 2.024 304 2HD1 ILE 34 HD12 ILE 34 195.473 1.144 2.172 305 3HD1 ILE 34 HD13 ILE 34 195.775 2.071 0.702 306 H VAL 35 HN VAL 35 200.963 2.810 1.738 307 HA VAL 35 HA VAL 35 203.098 1.217 2.767 308 HB VAL 35 HB VAL 35 202.688 4.195 3.032 309 1HG1 VAL 35 HG11 VAL 35 205.366 3.756 2.816 310 2HG1 VAL 35 HG12 VAL 35 204.846 2.355 3.755 311 3HG1 VAL 35 HG13 VAL 35 204.494 3.986 4.332 312 1HG2 VAL 35 HG21 VAL 35 203.445 4.521 0.928 313 2HG2 VAL 35 HG22 VAL 35 202.756 2.916 0.676 314 3HG2 VAL 35 HG23 VAL 35 204.486 3.097 0.965 315 H GLU 36 HN GLU 36 203.851 1.027 4.877 316 HA GLU 36 HA GLU 36 202.087 1.972 7.034 317 1HB GLU 36 HB2 GLU 36 202.961 -0.823 6.430 318 2HB GLU 36 HB1 GLU 36 202.838 -0.339 8.115 319 1HG GLU 36 HG2 GLU 36 200.748 -1.187 7.757 320 2HG GLU 36 HG1 GLU 36 200.477 0.515 7.400 321 H LYS 37 HN LYS 37 203.130 2.125 9.129 322 HA LYS 37 HA LYS 37 206.006 2.642 8.860 323 1HB LYS 37 HB2 LYS 37 204.320 4.394 9.771 324 2HB LYS 37 HB1 LYS 37 204.327 3.425 11.238 325 1HG LYS 37 HG2 LYS 37 207.031 3.890 10.510 326 2HG LYS 37 HG1 LYS 37 206.172 5.426 10.415 327 1HD LYS 37 HD2 LYS 37 206.999 5.223 12.634 328 2HD LYS 37 HD1 LYS 37 205.255 4.959 12.699 329 1HE LYS 37 HE2 LYS 37 205.480 2.694 13.079 330 2HE LYS 37 HE1 LYS 37 207.104 2.643 12.390 331 1HZ LYS 37 HZ1 LYS 37 206.254 3.308 15.089 332 2HZ LYS 37 HZ2 LYS 37 207.509 4.251 14.460 333 3HZ LYS 37 HZ3 LYS 37 207.679 2.571 14.552 334 H ALA 38 HN ALA 38 206.830 0.618 9.064 335 HA ALA 38 HA ALA 38 206.261 -1.550 10.469 336 1HB ALA 38 HB1 ALA 38 208.314 -1.156 9.111 337 2HB ALA 38 HB2 ALA 38 208.570 -2.095 10.581 338 3HB ALA 38 HB3 ALA 38 209.034 -0.393 10.533 339 HA PRO 39 HA PRO 39 205.986 -0.888 14.816 340 1HB PRO 39 HB2 PRO 39 206.989 -3.300 15.668 341 2HB PRO 39 HB1 PRO 39 205.333 -3.060 15.094 342 1HG PRO 39 HG2 PRO 39 207.717 -4.105 13.638 343 2HG PRO 39 HG1 PRO 39 206.044 -4.682 13.599 344 1HD PRO 39 HD2 PRO 39 207.065 -3.193 11.631 345 2HD PRO 39 HD1 PRO 39 205.376 -3.011 12.151 346 H LYS 40 HN LYS 40 207.264 -0.258 16.520 347 HA LYS 40 HA LYS 40 209.109 0.370 17.675 348 1HB LYS 40 HB2 LYS 40 210.317 -1.929 16.146 349 2HB LYS 40 HB1 LYS 40 211.195 -1.019 17.365 350 1HG LYS 40 HG2 LYS 40 210.405 -2.878 18.512 351 2HG LYS 40 HG1 LYS 40 209.256 -1.606 18.929 352 1HD LYS 40 HD2 LYS 40 207.678 -2.445 17.301 353 2HD LYS 40 HD1 LYS 40 208.838 -3.657 16.750 354 1HE LYS 40 HE2 LYS 40 208.817 -4.372 19.270 355 2HE LYS 40 HE1 LYS 40 207.262 -3.539 19.284 356 1HZ LYS 40 HZ1 LYS 40 206.786 -5.762 18.784 357 2HZ LYS 40 HZ2 LYS 40 208.058 -5.894 17.678 358 3HZ LYS 40 HZ3 LYS 40 206.698 -4.967 17.292 359 H ALA 41 HN ALA 41 208.882 0.819 14.367 360 HA ALA 41 HA ALA 41 211.350 1.715 13.556 361 1HB ALA 41 HB1 ALA 41 209.149 1.526 12.216 362 2HB ALA 41 HB2 ALA 41 210.293 2.803 11.798 363 3HB ALA 41 HB3 ALA 41 208.866 3.184 12.759 364 H ARG 42 HN ARG 42 212.461 3.587 13.785 365 HA ARG 42 HA ARG 42 211.702 5.283 16.017 366 1HB ARG 42 HB2 ARG 42 214.247 5.511 14.423 367 2HB ARG 42 HB1 ARG 42 213.951 6.028 16.077 368 1HG ARG 42 HG2 ARG 42 214.358 3.986 16.931 369 2HG ARG 42 HG1 ARG 42 213.616 3.147 15.567 370 1HD ARG 42 HD2 ARG 42 215.573 3.483 14.221 371 2HD ARG 42 HD1 ARG 42 216.299 4.515 15.452 372 HE ARG 42 HE ARG 42 216.249 1.639 15.405 373 1HH1 ARG 42 HH11 ARG 42 216.547 4.468 17.429 374 2HH1 ARG 42 HH12 ARG 42 217.401 3.634 18.683 375 1HH2 ARG 42 HH21 ARG 42 217.372 0.542 17.053 376 2HH2 ARG 42 HH22 ARG 42 217.871 1.404 18.469 377 H ILE 43 HN ILE 43 210.191 5.467 13.694 378 HA ILE 43 HA ILE 43 210.724 8.238 12.862 379 HB ILE 43 HB ILE 43 209.473 7.439 10.725 380 1HG1 ILE 43 HG12 ILE 43 210.644 4.853 11.753 381 2HG1 ILE 43 HG11 ILE 43 208.929 5.210 11.560 382 1HG2 ILE 43 HG21 ILE 43 212.306 7.294 11.487 383 2HG2 ILE 43 HG22 ILE 43 211.530 8.166 10.166 384 3HG2 ILE 43 HG23 ILE 43 211.873 6.445 10.003 385 1HD1 ILE 43 HD11 ILE 43 209.141 4.198 9.605 386 2HD1 ILE 43 HD12 ILE 43 210.901 4.360 9.599 387 3HD1 ILE 43 HD13 ILE 43 209.891 5.705 9.071 388 H GLY 44 HN GLY 44 208.728 9.275 11.949 389 1HA GLY 44 HA2 GLY 44 206.623 9.112 13.861 390 2HA GLY 44 HA1 GLY 44 206.629 10.104 12.410 391 H ASP 45 HN ASP 45 204.493 8.435 13.629 392 HA ASP 45 HA ASP 45 204.120 6.237 11.797 393 1HB ASP 45 HB2 ASP 45 202.156 7.408 13.774 394 2HB ASP 45 HB1 ASP 45 202.053 5.832 12.992 395 H LEU 46 HN LEU 46 203.026 6.243 9.947 396 HA LEU 46 HA LEU 46 202.021 8.744 8.925 397 1HB LEU 46 HB2 LEU 46 203.030 6.294 7.843 398 2HB LEU 46 HB1 LEU 46 201.462 6.627 7.132 399 HG LEU 46 HG LEU 46 203.281 8.932 7.214 400 1HD1 LEU 46 HD11 LEU 46 203.970 6.428 5.725 401 2HD1 LEU 46 HD12 LEU 46 205.016 7.480 6.679 402 3HD1 LEU 46 HD13 LEU 46 204.428 8.015 5.105 403 1HD2 LEU 46 HD21 LEU 46 202.444 9.135 4.879 404 2HD2 LEU 46 HD22 LEU 46 201.166 9.085 6.093 405 3HD2 LEU 46 HD23 LEU 46 201.521 7.651 5.127 406 H ASP 47 HN ASP 47 199.948 9.126 8.146 407 HA ASP 47 HA ASP 47 197.857 7.433 9.341 408 1HB ASP 47 HB2 ASP 47 196.416 9.451 9.221 409 2HB ASP 47 HB1 ASP 47 197.842 9.701 10.222 410 H LYS 48 HN LYS 48 199.171 8.667 6.418 411 HA LYS 48 HA LYS 48 196.807 7.948 4.854 412 1HB LYS 48 HB2 LYS 48 197.792 10.069 4.281 413 2HB LYS 48 HB1 LYS 48 199.388 9.350 4.143 414 1HG LYS 48 HG2 LYS 48 197.798 7.932 2.343 415 2HG LYS 48 HG1 LYS 48 197.315 9.618 2.165 416 1HD LYS 48 HD2 LYS 48 200.138 9.588 2.341 417 2HD LYS 48 HD1 LYS 48 199.677 8.308 1.217 418 1HE LYS 48 HE2 LYS 48 200.056 10.543 0.160 419 2HE LYS 48 HE1 LYS 48 198.472 9.835 -0.155 420 1HZ LYS 48 HZ1 LYS 48 197.424 11.357 1.184 421 2HZ LYS 48 HZ2 LYS 48 198.665 12.308 0.540 422 3HZ LYS 48 HZ3 LYS 48 198.805 11.685 2.106 423 H LYS 49 HN LYS 49 196.922 5.679 5.095 424 HA LYS 49 HA LYS 49 199.255 4.177 4.527 425 1HB LYS 49 HB2 LYS 49 196.350 3.530 4.857 426 2HB LYS 49 HB1 LYS 49 197.417 2.302 4.181 427 1HG LYS 49 HG2 LYS 49 198.569 3.481 6.547 428 2HG LYS 49 HG1 LYS 49 196.954 2.846 6.869 429 1HD LYS 49 HD2 LYS 49 197.989 0.841 5.384 430 2HD LYS 49 HD1 LYS 49 199.446 1.438 6.177 431 1HE LYS 49 HE2 LYS 49 196.934 0.374 7.443 432 2HE LYS 49 HE1 LYS 49 198.568 -0.264 7.570 433 1HZ LYS 49 HZ1 LYS 49 198.844 0.956 9.380 434 2HZ LYS 49 HZ2 LYS 49 197.301 1.629 9.214 435 3HZ LYS 49 HZ3 LYS 49 198.630 2.371 8.479 436 H LYS 50 HN LYS 50 196.355 4.885 2.594 437 HA LYS 50 HA LYS 50 197.166 3.446 0.312 438 1HB LYS 50 HB2 LYS 50 194.832 4.170 0.839 439 2HB LYS 50 HB1 LYS 50 195.292 5.810 0.406 440 1HG LYS 50 HG2 LYS 50 194.639 5.319 -1.656 441 2HG LYS 50 HG1 LYS 50 196.081 4.313 -1.778 442 1HD LYS 50 HD2 LYS 50 194.063 3.085 -2.427 443 2HD LYS 50 HD1 LYS 50 194.820 2.381 -0.997 444 1HE LYS 50 HE2 LYS 50 192.976 4.334 -0.106 445 2HE LYS 50 HE1 LYS 50 192.158 3.356 -1.324 446 1HZ LYS 50 HZ1 LYS 50 192.209 1.535 -0.022 447 2HZ LYS 50 HZ2 LYS 50 192.318 2.667 1.229 448 3HZ LYS 50 HZ3 LYS 50 193.714 1.903 0.656 449 H TYR 51 HN TYR 51 198.056 4.038 -1.605 450 HA TYR 51 HA TYR 51 199.021 6.740 -2.045 451 1HB TYR 51 HB2 TYR 51 200.840 4.374 -1.632 452 2HB TYR 51 HB1 TYR 51 201.338 5.763 -2.589 453 HD1 TYR 51 HD1 TYR 51 200.634 4.510 0.746 454 HD2 TYR 51 HD2 TYR 51 201.728 7.926 -1.528 455 HE1 TYR 51 HE1 TYR 51 201.346 5.646 2.811 456 HE2 TYR 51 HE2 TYR 51 202.443 9.076 0.522 457 HH TYR 51 HH TYR 51 203.254 8.348 2.853 458 H LEU 52 HN LEU 52 198.588 7.184 -4.118 459 HA LEU 52 HA LEU 52 198.304 4.941 -5.982 460 1HB LEU 52 HB2 LEU 52 196.655 7.038 -5.585 461 2HB LEU 52 HB1 LEU 52 197.665 7.703 -6.854 462 HG LEU 52 HG LEU 52 197.063 5.908 -8.358 463 1HD1 LEU 52 HD11 LEU 52 196.392 4.554 -5.941 464 2HD1 LEU 52 HD12 LEU 52 196.477 3.917 -7.583 465 3HD1 LEU 52 HD13 LEU 52 194.968 4.602 -6.981 466 1HD2 LEU 52 HD21 LEU 52 194.374 6.496 -7.343 467 2HD2 LEU 52 HD22 LEU 52 195.094 6.825 -8.919 468 3HD2 LEU 52 HD23 LEU 52 195.404 7.910 -7.565 469 H VAL 53 HN VAL 53 200.673 4.784 -5.836 470 HA VAL 53 HA VAL 53 202.226 6.790 -7.221 471 HB VAL 53 HB VAL 53 204.069 5.027 -6.967 472 1HG1 VAL 53 HG11 VAL 53 204.597 5.811 -4.832 473 2HG1 VAL 53 HG12 VAL 53 202.903 5.937 -4.358 474 3HG1 VAL 53 HG13 VAL 53 203.583 7.079 -5.517 475 1HG2 VAL 53 HG21 VAL 53 202.789 3.767 -4.714 476 2HG2 VAL 53 HG22 VAL 53 203.620 3.040 -6.088 477 3HG2 VAL 53 HG23 VAL 53 201.909 3.437 -6.205 478 HA PRO 54 HA PRO 54 202.027 5.168 -11.323 479 1HB PRO 54 HB2 PRO 54 204.947 5.621 -11.490 480 2HB PRO 54 HB1 PRO 54 203.648 6.287 -12.485 481 1HG PRO 54 HG2 PRO 54 204.939 7.798 -10.693 482 2HG PRO 54 HG1 PRO 54 203.202 7.998 -10.992 483 1HD PRO 54 HD2 PRO 54 204.591 6.635 -8.722 484 2HD PRO 54 HD1 PRO 54 203.129 7.643 -8.711 485 H SER 55 HN SER 55 203.727 3.766 -12.751 486 HA SER 55 HA SER 55 204.282 1.388 -11.102 487 1HB SER 55 HB2 SER 55 203.722 0.008 -12.922 488 2HB SER 55 HB1 SER 55 202.531 1.305 -13.013 489 HG SER 55 HG SER 55 204.729 0.777 -14.662 490 H ASP 56 HN ASP 56 205.711 3.837 -12.963 491 HA ASP 56 HA ASP 56 208.125 2.258 -13.457 492 1HB ASP 56 HB2 ASP 56 207.479 5.083 -14.335 493 2HB ASP 56 HB1 ASP 56 208.858 4.117 -14.850 494 H LEU 57 HN LEU 57 206.756 4.212 -11.138 495 HA LEU 57 HA LEU 57 208.862 5.839 -10.313 496 1HB LEU 57 HB2 LEU 57 206.563 6.083 -9.499 497 2HB LEU 57 HB1 LEU 57 206.713 4.567 -8.628 498 HG LEU 57 HG LEU 57 208.804 5.861 -7.574 499 1HD1 LEU 57 HD11 LEU 57 208.264 7.859 -8.995 500 2HD1 LEU 57 HD12 LEU 57 208.416 8.168 -7.266 501 3HD1 LEU 57 HD13 LEU 57 206.819 8.071 -8.009 502 1HD2 LEU 57 HD21 LEU 57 205.962 5.599 -6.820 503 2HD2 LEU 57 HD22 LEU 57 206.917 6.756 -5.893 504 3HD2 LEU 57 HD23 LEU 57 207.416 5.067 -5.975 505 H THR 58 HN THR 58 210.833 5.203 -9.790 506 HA THR 58 HA THR 58 211.462 2.546 -8.983 507 HB THR 58 HB THR 58 213.699 3.916 -8.340 508 HG1 THR 58 HG1 THR 58 212.629 5.448 -10.450 509 1HG2 THR 58 HG21 THR 58 212.801 2.444 -10.583 510 2HG2 THR 58 HG22 THR 58 214.453 2.719 -10.029 511 3HG2 THR 58 HG23 THR 58 213.705 3.842 -11.166 512 H VAL 59 HN VAL 59 212.068 1.744 -7.018 513 HA VAL 59 HA VAL 59 210.740 2.502 -4.754 514 HB VAL 59 HB VAL 59 213.288 0.975 -5.148 515 1HG1 VAL 59 HG11 VAL 59 213.129 0.314 -2.726 516 2HG1 VAL 59 HG12 VAL 59 212.004 1.655 -2.505 517 3HG1 VAL 59 HG13 VAL 59 213.665 1.970 -3.011 518 1HG2 VAL 59 HG21 VAL 59 210.713 0.270 -5.492 519 2HG2 VAL 59 HG22 VAL 59 210.943 -0.194 -3.807 520 3HG2 VAL 59 HG23 VAL 59 211.992 -0.864 -5.057 521 H GLY 60 HN GLY 60 213.847 3.670 -5.928 522 1HA GLY 60 HA2 GLY 60 214.673 5.070 -3.632 523 2HA GLY 60 HA1 GLY 60 215.140 5.461 -5.284 524 H GLN 61 HN GLN 61 212.520 5.935 -6.270 525 HA GLN 61 HA GLN 61 212.179 8.662 -5.514 526 1HB GLN 61 HB2 GLN 61 210.472 6.854 -7.221 527 2HB GLN 61 HB1 GLN 61 210.264 8.596 -7.071 528 1HG GLN 61 HG2 GLN 61 212.576 8.884 -7.892 529 2HG GLN 61 HG1 GLN 61 212.639 7.148 -8.191 530 1HE2 GLN 61 HE21 GLN 61 210.012 6.807 -9.111 531 2HE2 GLN 61 HE22 GLN 61 209.871 7.554 -10.663 532 H PHE 62 HN PHE 62 210.282 5.697 -5.069 533 HA PHE 62 HA PHE 62 208.088 6.701 -3.734 534 1HB PHE 62 HB2 PHE 62 208.605 4.288 -4.459 535 2HB PHE 62 HB1 PHE 62 209.414 4.128 -2.905 536 HD1 PHE 62 HD1 PHE 62 208.070 2.690 -1.675 537 HD2 PHE 62 HD2 PHE 62 206.300 5.939 -3.768 538 HE1 PHE 62 HE1 PHE 62 205.904 2.191 -0.615 539 HE2 PHE 62 HE2 PHE 62 204.133 5.445 -2.715 540 HZ PHE 62 HZ PHE 62 203.934 3.570 -1.144 541 H TYR 63 HN TYR 63 211.252 5.828 -2.414 542 HA TYR 63 HA TYR 63 210.780 6.120 0.298 543 1HB TYR 63 HB2 TYR 63 213.143 6.405 -1.475 544 2HB TYR 63 HB1 TYR 63 213.278 7.113 0.132 545 HD1 TYR 63 HD1 TYR 63 212.447 5.463 2.077 546 HD2 TYR 63 HD2 TYR 63 213.854 4.268 -1.748 547 HE1 TYR 63 HE1 TYR 63 213.029 3.268 2.992 548 HE2 TYR 63 HE2 TYR 63 214.437 2.053 -0.848 549 HH TYR 63 HH TYR 63 215.044 1.237 1.774 550 H PHE 64 HN PHE 64 212.417 8.548 -1.641 551 HA PHE 64 HA PHE 64 212.368 10.721 -0.055 552 1HB PHE 64 HB2 PHE 64 213.437 11.022 -2.092 553 2HB PHE 64 HB1 PHE 64 212.083 10.381 -3.011 554 HD1 PHE 64 HD1 PHE 64 213.217 13.331 -1.075 555 HD2 PHE 64 HD2 PHE 64 210.519 11.795 -3.986 556 HE1 PHE 64 HE1 PHE 64 212.492 15.622 -1.603 557 HE2 PHE 64 HE2 PHE 64 209.787 14.086 -4.520 558 HZ PHE 64 HZ PHE 64 210.776 16.002 -3.328 559 H LEU 65 HN LEU 65 209.578 9.504 -1.867 560 HA LEU 65 HA LEU 65 207.933 11.743 -1.275 561 1HB LEU 65 HB2 LEU 65 206.563 10.812 -2.742 562 2HB LEU 65 HB1 LEU 65 207.784 9.575 -2.965 563 HG LEU 65 HG LEU 65 206.675 8.321 -1.091 564 1HD1 LEU 65 HD11 LEU 65 204.065 9.413 -1.501 565 2HD1 LEU 65 HD12 LEU 65 205.151 10.702 -0.973 566 3HD1 LEU 65 HD13 LEU 65 204.969 9.247 0.005 567 1HD2 LEU 65 HD21 LEU 65 205.125 7.283 -2.561 568 2HD2 LEU 65 HD22 LEU 65 206.451 7.870 -3.564 569 3HD2 LEU 65 HD23 LEU 65 204.930 8.759 -3.505 570 H ILE 66 HN ILE 66 208.355 8.547 0.181 571 HA ILE 66 HA ILE 66 206.361 8.940 2.183 572 HB ILE 66 HB ILE 66 208.647 6.976 2.007 573 1HG1 ILE 66 HG12 ILE 66 207.017 6.595 0.281 574 2HG1 ILE 66 HG11 ILE 66 206.800 5.360 1.516 575 1HG2 ILE 66 HG21 ILE 66 208.315 6.685 4.204 576 2HG2 ILE 66 HG22 ILE 66 206.844 5.846 3.712 577 3HG2 ILE 66 HG23 ILE 66 206.774 7.544 4.183 578 1HD1 ILE 66 HD11 ILE 66 205.114 7.533 2.177 579 2HD1 ILE 66 HD12 ILE 66 204.670 5.905 1.665 580 3HD1 ILE 66 HD13 ILE 66 204.899 7.173 0.464 581 H ARG 67 HN ARG 67 209.884 9.264 2.065 582 HA ARG 67 HA ARG 67 210.549 9.686 4.679 583 1HB ARG 67 HB2 ARG 67 211.647 10.448 2.089 584 2HB ARG 67 HB1 ARG 67 211.996 11.657 3.318 585 1HG ARG 67 HG2 ARG 67 213.529 10.367 4.288 586 2HG ARG 67 HG1 ARG 67 212.463 8.964 4.287 587 1HD ARG 67 HD2 ARG 67 213.019 8.669 1.856 588 2HD ARG 67 HD1 ARG 67 214.239 9.931 2.053 589 HE ARG 67 HE ARG 67 214.410 7.201 2.913 590 1HH1 ARG 67 HH11 ARG 67 215.534 10.448 3.529 591 2HH1 ARG 67 HH12 ARG 67 217.007 9.929 4.278 592 1HH2 ARG 67 HH21 ARG 67 216.347 6.518 3.894 593 2HH2 ARG 67 HH22 ARG 67 217.469 7.698 4.484 594 H LYS 68 HN LYS 68 209.246 12.165 2.455 595 HA LYS 68 HA LYS 68 209.262 14.257 4.357 596 1HB LYS 68 HB2 LYS 68 207.500 13.874 1.938 597 2HB LYS 68 HB1 LYS 68 207.639 15.361 2.864 598 1HG LYS 68 HG2 LYS 68 209.846 15.723 2.169 599 2HG LYS 68 HG1 LYS 68 210.014 14.067 1.577 600 1HD LYS 68 HD2 LYS 68 207.840 15.648 0.377 601 2HD LYS 68 HD1 LYS 68 209.480 16.177 -0.014 602 1HE LYS 68 HE2 LYS 68 210.040 14.039 -0.898 603 2HE LYS 68 HE1 LYS 68 208.558 13.333 -0.260 604 1HZ LYS 68 HZ1 LYS 68 208.737 15.350 -2.430 605 2HZ LYS 68 HZ2 LYS 68 207.294 14.754 -1.781 606 3HZ LYS 68 HZ3 LYS 68 208.338 13.716 -2.612 607 H ARG 69 HN ARG 69 206.678 12.078 3.268 608 HA ARG 69 HA ARG 69 204.572 12.920 4.804 609 1HB ARG 69 HB2 ARG 69 205.333 10.035 4.319 610 2HB ARG 69 HB1 ARG 69 203.730 10.631 4.724 611 1HG ARG 69 HG2 ARG 69 204.828 11.927 2.369 612 2HG ARG 69 HG1 ARG 69 204.716 10.174 2.194 613 1HD ARG 69 HD2 ARG 69 202.463 10.178 2.230 614 2HD ARG 69 HD1 ARG 69 202.378 11.503 3.393 615 HE ARG 69 HE ARG 69 202.332 11.703 0.524 616 1HH1 ARG 69 HH11 ARG 69 203.037 13.384 3.501 617 2HH1 ARG 69 HH12 ARG 69 202.811 14.956 2.813 618 1HH2 ARG 69 HH21 ARG 69 202.034 13.771 -0.383 619 2HH2 ARG 69 HH22 ARG 69 202.240 15.177 0.609 620 H ILE 70 HN ILE 70 207.450 11.259 5.833 621 HA ILE 70 HA ILE 70 206.380 11.031 8.559 622 HB ILE 70 HB ILE 70 208.796 9.727 8.637 623 1HG1 ILE 70 HG12 ILE 70 207.473 8.787 6.110 624 2HG1 ILE 70 HG11 ILE 70 208.772 9.973 6.081 625 1HG2 ILE 70 HG21 ILE 70 207.515 8.091 9.425 626 2HG2 ILE 70 HG22 ILE 70 206.598 7.968 7.924 627 3HG2 ILE 70 HG23 ILE 70 206.157 9.176 9.131 628 1HD1 ILE 70 HD11 ILE 70 209.174 7.341 5.873 629 2HD1 ILE 70 HD12 ILE 70 209.296 7.521 7.623 630 3HD1 ILE 70 HD13 ILE 70 210.355 8.453 6.564 631 H HIS 71 HN HIS 71 208.478 12.855 6.644 632 HA HIS 71 HA HIS 71 209.671 14.721 7.134 633 1HB HIS 71 HB2 HIS 71 209.198 14.029 10.035 634 2HB HIS 71 HB1 HIS 71 209.961 15.499 9.449 635 HD1 HIS 71 HD1 HIS 71 206.609 13.724 9.245 636 HD2 HIS 71 HD2 HIS 71 208.243 17.529 8.896 637 HE1 HIS 71 HE1 HIS 71 204.648 15.279 9.021 638 HE2 HIS 71 HE2 HIS 71 205.658 17.583 8.899 639 H LEU 72 HN LEU 72 210.991 12.747 6.240 640 HA LEU 72 HA LEU 72 213.405 12.533 7.924 641 1HB LEU 72 HB2 LEU 72 212.155 10.535 6.062 642 2HB LEU 72 HB1 LEU 72 213.840 10.426 6.536 643 HG LEU 72 HG LEU 72 212.400 8.926 7.844 644 1HD1 LEU 72 HD11 LEU 72 213.942 11.109 9.131 645 2HD1 LEU 72 HD12 LEU 72 214.249 9.372 9.093 646 3HD1 LEU 72 HD13 LEU 72 213.006 10.027 10.160 647 1HD2 LEU 72 HD21 LEU 72 210.457 10.615 7.719 648 2HD2 LEU 72 HD22 LEU 72 211.186 11.309 9.170 649 3HD2 LEU 72 HD23 LEU 72 210.650 9.631 9.171 650 H ARG 73 HN ARG 73 214.791 14.021 7.053 651 HA ARG 73 HA ARG 73 214.782 14.681 4.292 652 1HB ARG 73 HB2 ARG 73 217.201 15.553 4.913 653 2HB ARG 73 HB1 ARG 73 215.761 16.406 5.444 654 1HG ARG 73 HG2 ARG 73 217.381 16.261 7.225 655 2HG ARG 73 HG1 ARG 73 215.939 15.335 7.636 656 1HD ARG 73 HD2 ARG 73 217.028 13.343 7.523 657 2HD ARG 73 HD1 ARG 73 218.142 13.898 6.277 658 HE ARG 73 HE ARG 73 219.620 14.392 7.931 659 1HH1 ARG 73 HH11 ARG 73 216.417 14.418 9.314 660 2HH1 ARG 73 HH12 ARG 73 216.980 14.714 10.924 661 1HH2 ARG 73 HH21 ARG 73 220.362 14.781 10.047 662 2HH2 ARG 73 HH22 ARG 73 219.218 14.920 11.341 663 H ALA 74 HN ALA 74 216.581 14.264 2.781 664 HA ALA 74 HA ALA 74 216.968 11.633 2.230 665 1HB ALA 74 HB1 ALA 74 217.702 13.884 1.009 666 2HB ALA 74 HB2 ALA 74 218.343 12.303 0.564 667 3HB ALA 74 HB3 ALA 74 219.276 13.370 1.618 668 H GLU 75 HN GLU 75 218.812 13.580 4.466 669 HA GLU 75 HA GLU 75 220.948 11.720 4.774 670 1HB GLU 75 HB2 GLU 75 220.099 14.256 6.004 671 2HB GLU 75 HB1 GLU 75 221.130 13.219 6.982 672 1HG GLU 75 HG2 GLU 75 222.580 13.120 4.827 673 2HG GLU 75 HG1 GLU 75 221.710 14.595 4.413 674 H ASP 76 HN ASP 76 217.805 11.993 6.105 675 HA ASP 76 HA ASP 76 218.289 10.535 8.525 676 1HB ASP 76 HB2 ASP 76 215.994 11.765 7.198 677 2HB ASP 76 HB1 ASP 76 215.603 10.260 8.018 678 H ALA 77 HN ALA 77 217.234 8.499 9.018 679 HA ALA 77 HA ALA 77 217.744 6.589 6.883 680 1HB ALA 77 HB1 ALA 77 218.750 6.307 9.154 681 2HB ALA 77 HB2 ALA 77 217.849 4.911 8.558 682 3HB ALA 77 HB3 ALA 77 217.126 5.980 9.762 683 H LEU 78 HN LEU 78 216.305 5.224 6.047 684 HA LEU 78 HA LEU 78 213.720 4.704 7.089 685 1HB LEU 78 HB2 LEU 78 213.262 6.957 6.293 686 2HB LEU 78 HB1 LEU 78 213.911 6.555 4.715 687 HG LEU 78 HG LEU 78 212.078 4.839 4.499 688 1HD1 LEU 78 HD11 LEU 78 211.271 4.372 6.584 689 2HD1 LEU 78 HD12 LEU 78 210.070 5.542 6.032 690 3HD1 LEU 78 HD13 LEU 78 211.362 6.051 7.119 691 1HD2 LEU 78 HD21 LEU 78 212.043 7.154 3.503 692 2HD2 LEU 78 HD22 LEU 78 211.038 7.637 4.870 693 3HD2 LEU 78 HD23 LEU 78 210.466 6.401 3.748 694 H PHE 79 HN PHE 79 213.483 2.648 6.513 695 HA PHE 79 HA PHE 79 214.323 1.842 3.806 696 1HB PHE 79 HB2 PHE 79 214.348 0.108 6.289 697 2HB PHE 79 HB1 PHE 79 214.890 -0.361 4.682 698 HD1 PHE 79 HD1 PHE 79 217.113 -0.139 4.108 699 HD2 PHE 79 HD2 PHE 79 215.581 2.092 7.392 700 HE1 PHE 79 HE1 PHE 79 219.393 0.604 4.663 701 HE2 PHE 79 HE2 PHE 79 217.857 2.842 7.950 702 HZ PHE 79 HZ PHE 79 219.766 2.099 6.585 703 H PHE 80 HN PHE 80 212.865 0.737 2.598 704 HA PHE 80 HA PHE 80 210.181 0.556 3.657 705 1HB PHE 80 HB2 PHE 80 211.361 0.224 0.914 706 2HB PHE 80 HB1 PHE 80 209.699 -0.247 1.252 707 HD1 PHE 80 HD1 PHE 80 210.803 1.912 -0.663 708 HD2 PHE 80 HD2 PHE 80 209.224 2.054 3.287 709 HE1 PHE 80 HE1 PHE 80 210.085 4.230 -1.032 710 HE2 PHE 80 HE2 PHE 80 208.506 4.377 2.922 711 HZ PHE 80 HZ PHE 80 208.937 5.467 0.758 712 H PHE 81 HN PHE 81 208.914 -1.310 3.690 713 HA PHE 81 HA PHE 81 210.305 -3.854 3.352 714 1HB PHE 81 HB2 PHE 81 208.793 -3.071 5.852 715 2HB PHE 81 HB1 PHE 81 209.458 -4.669 5.521 716 HD1 PHE 81 HD1 PHE 81 211.790 -5.115 5.751 717 HD2 PHE 81 HD2 PHE 81 210.276 -1.174 6.287 718 HE1 PHE 81 HE1 PHE 81 213.945 -4.422 6.718 719 HE2 PHE 81 HE2 PHE 81 212.427 -0.473 7.253 720 HZ PHE 81 HZ PHE 81 214.273 -2.097 7.460 721 H VAL 82 HN VAL 82 209.134 -5.063 2.049 722 HA VAL 82 HA VAL 82 206.201 -4.923 2.248 723 HB VAL 82 HB VAL 82 207.146 -3.847 0.147 724 1HG1 VAL 82 HG11 VAL 82 207.736 -6.695 -0.643 725 2HG1 VAL 82 HG12 VAL 82 208.958 -5.507 -0.191 726 3HG1 VAL 82 HG13 VAL 82 207.962 -5.247 -1.624 727 1HG2 VAL 82 HG21 VAL 82 205.398 -6.220 -0.446 728 2HG2 VAL 82 HG22 VAL 82 205.388 -4.630 -1.212 729 3HG2 VAL 82 HG23 VAL 82 204.821 -4.814 0.448 730 H ASN 83 HN ASN 83 205.356 -6.808 2.843 731 HA ASN 83 HA ASN 83 205.076 -9.043 3.186 732 1HB ASN 83 HB2 ASN 83 207.126 -9.439 0.991 733 2HB ASN 83 HB1 ASN 83 205.973 -10.630 1.583 734 1HD2 ASN 83 HD21 ASN 83 205.449 -10.737 -0.726 735 2HD2 ASN 83 HD22 ASN 83 204.285 -9.627 -1.357 736 H ASN 84 HN ASN 84 207.225 -7.355 4.389 737 HA ASN 84 HA ASN 84 208.585 -7.707 6.196 738 1HB ASN 84 HB2 ASN 84 207.580 -10.223 5.917 739 2HB ASN 84 HB1 ASN 84 209.295 -10.508 5.640 740 1HD2 ASN 84 HD21 ASN 84 207.886 -11.531 7.814 741 2HD2 ASN 84 HD22 ASN 84 208.500 -10.809 9.258 742 H VAL 85 HN VAL 85 209.312 -7.823 3.009 743 HA VAL 85 HA VAL 85 212.195 -8.062 3.526 744 HB VAL 85 HB VAL 85 211.306 -9.716 1.974 745 1HG1 VAL 85 HG11 VAL 85 210.901 -8.500 -0.416 746 2HG1 VAL 85 HG12 VAL 85 210.157 -7.353 0.697 747 3HG1 VAL 85 HG13 VAL 85 209.618 -9.032 0.671 748 1HG2 VAL 85 HG21 VAL 85 213.057 -9.595 0.425 749 2HG2 VAL 85 HG22 VAL 85 213.639 -8.708 1.835 750 3HG2 VAL 85 HG23 VAL 85 213.039 -7.831 0.428 751 H ILE 86 HN ILE 86 213.589 -6.733 2.252 752 HA ILE 86 HA ILE 86 212.532 -4.023 1.990 753 HB ILE 86 HB ILE 86 215.383 -5.007 1.973 754 1HG1 ILE 86 HG12 ILE 86 213.519 -4.016 4.085 755 2HG1 ILE 86 HG11 ILE 86 214.711 -5.308 4.162 756 1HG2 ILE 86 HG21 ILE 86 215.104 -2.946 0.681 757 2HG2 ILE 86 HG22 ILE 86 215.998 -2.650 2.172 758 3HG2 ILE 86 HG23 ILE 86 214.299 -2.190 2.056 759 1HD1 ILE 86 HD11 ILE 86 215.303 -2.365 4.148 760 2HD1 ILE 86 HD12 ILE 86 216.493 -3.663 4.248 761 3HD1 ILE 86 HD13 ILE 86 215.336 -3.426 5.554 762 HA PRO 87 HA PRO 87 212.517 -4.703 -2.462 763 1HB PRO 87 HB2 PRO 87 211.455 -2.310 -3.147 764 2HB PRO 87 HB1 PRO 87 210.479 -3.627 -2.483 765 1HG PRO 87 HG2 PRO 87 211.602 -1.220 -1.102 766 2HG PRO 87 HG1 PRO 87 209.990 -1.945 -0.953 767 1HD PRO 87 HD2 PRO 87 211.970 -2.364 0.859 768 2HD PRO 87 HD1 PRO 87 210.722 -3.574 0.499 769 HA PRO 88 HA PRO 88 216.302 -2.675 -3.574 770 1HB PRO 88 HB2 PRO 88 215.619 -3.112 -6.384 771 2HB PRO 88 HB1 PRO 88 216.893 -3.859 -5.417 772 1HG PRO 88 HG2 PRO 88 214.726 -5.234 -6.261 773 2HG PRO 88 HG1 PRO 88 215.537 -5.586 -4.725 774 1HD PRO 88 HD2 PRO 88 213.031 -4.023 -5.229 775 2HD PRO 88 HD1 PRO 88 213.378 -5.224 -3.966 776 H THR 89 HN THR 89 216.826 -0.595 -3.866 777 HA THR 89 HA THR 89 214.941 1.388 -4.417 778 HB THR 89 HB THR 89 217.057 2.822 -4.841 779 HG1 THR 89 HG1 THR 89 218.325 0.848 -5.267 780 1HG2 THR 89 HG21 THR 89 216.551 3.313 -2.739 781 2HG2 THR 89 HG22 THR 89 217.745 2.098 -2.280 782 3HG2 THR 89 HG23 THR 89 216.038 1.662 -2.389 783 H SER 90 HN SER 90 216.767 -0.599 -6.551 784 HA SER 90 HA SER 90 216.570 1.155 -8.825 785 1HB SER 90 HB2 SER 90 218.444 -0.427 -8.612 786 2HB SER 90 HB1 SER 90 217.313 -1.776 -8.684 787 HG SER 90 HG SER 90 217.826 -1.606 -10.745 788 H ALA 91 HN ALA 91 214.838 -1.653 -7.578 789 HA ALA 91 HA ALA 91 213.255 -2.214 -9.812 790 1HB ALA 91 HB1 ALA 91 211.691 -3.273 -8.215 791 2HB ALA 91 HB2 ALA 91 212.608 -2.561 -6.886 792 3HB ALA 91 HB3 ALA 91 213.371 -3.744 -7.949 793 H THR 92 HN THR 92 211.079 -1.680 -10.299 794 HA THR 92 HA THR 92 210.362 1.031 -9.441 795 HB THR 92 HB THR 92 209.086 1.219 -11.456 796 HG1 THR 92 HG1 THR 92 208.152 -0.504 -12.158 797 1HG2 THR 92 HG21 THR 92 211.342 1.595 -11.989 798 2HG2 THR 92 HG22 THR 92 210.720 0.527 -13.245 799 3HG2 THR 92 HG23 THR 92 211.720 -0.127 -11.949 800 H MET 93 HN MET 93 208.321 1.535 -8.680 801 HA MET 93 HA MET 93 207.053 -0.188 -6.966 802 1HB MET 93 HB2 MET 93 205.889 2.140 -8.497 803 2HB MET 93 HB1 MET 93 205.064 1.336 -7.169 804 1HG MET 93 HG2 MET 93 207.749 2.125 -6.461 805 2HG MET 93 HG1 MET 93 206.777 3.484 -7.013 806 1HE MET 93 HE1 MET 93 204.622 0.668 -4.386 807 2HE MET 93 HE2 MET 93 206.285 0.521 -3.818 808 3HE MET 93 HE3 MET 93 205.906 0.244 -5.516 809 H GLY 94 HN GLY 94 206.556 0.185 -10.413 810 1HA GLY 94 HA2 GLY 94 204.143 -1.248 -10.644 811 2HA GLY 94 HA1 GLY 94 205.339 -1.051 -11.920 812 H GLN 95 HN GLN 95 207.522 -2.317 -10.791 813 HA GLN 95 HA GLN 95 206.957 -5.021 -11.347 814 1HB GLN 95 HB2 GLN 95 209.356 -3.762 -10.000 815 2HB GLN 95 HB1 GLN 95 209.278 -5.437 -10.528 816 1HG GLN 95 HG2 GLN 95 208.863 -4.600 -12.846 817 2HG GLN 95 HG1 GLN 95 209.191 -2.974 -12.247 818 1HE2 GLN 95 HE21 GLN 95 210.651 -4.270 -14.276 819 2HE2 GLN 95 HE22 GLN 95 212.267 -4.498 -13.711 820 H LEU 96 HN LEU 96 207.356 -3.219 -8.342 821 HA LEU 96 HA LEU 96 207.301 -5.412 -6.583 822 1HB LEU 96 HB2 LEU 96 206.278 -2.609 -6.101 823 2HB LEU 96 HB1 LEU 96 206.629 -3.796 -4.861 824 HG LEU 96 HG LEU 96 208.572 -2.322 -6.619 825 1HD1 LEU 96 HD11 LEU 96 208.193 -2.579 -3.641 826 2HD1 LEU 96 HD12 LEU 96 207.945 -1.143 -4.635 827 3HD1 LEU 96 HD13 LEU 96 209.572 -1.784 -4.402 828 1HD2 LEU 96 HD21 LEU 96 210.113 -3.884 -4.981 829 2HD2 LEU 96 HD22 LEU 96 209.803 -4.193 -6.689 830 3HD2 LEU 96 HD23 LEU 96 208.826 -4.993 -5.457 831 H TYR 97 HN TYR 97 204.702 -3.236 -7.647 832 HA TYR 97 HA TYR 97 202.597 -4.523 -6.349 833 1HB TYR 97 HB2 TYR 97 202.280 -2.332 -7.301 834 2HB TYR 97 HB1 TYR 97 202.603 -2.945 -8.921 835 HD1 TYR 97 HD1 TYR 97 200.978 -4.564 -9.953 836 HD2 TYR 97 HD2 TYR 97 200.110 -2.429 -6.375 837 HE1 TYR 97 HE1 TYR 97 198.583 -5.033 -10.260 838 HE2 TYR 97 HE2 TYR 97 197.713 -2.894 -6.673 839 HH TYR 97 HH TYR 97 196.551 -5.121 -9.047 840 H GLN 98 HN GLN 98 204.119 -5.186 -9.451 841 HA GLN 98 HA GLN 98 202.165 -7.106 -10.255 842 1HB GLN 98 HB2 GLN 98 204.967 -6.581 -11.229 843 2HB GLN 98 HB1 GLN 98 203.856 -7.721 -11.974 844 1HG GLN 98 HG2 GLN 98 202.459 -5.299 -11.763 845 2HG GLN 98 HG1 GLN 98 204.072 -4.894 -12.346 846 1HE2 GLN 98 HE21 GLN 98 204.051 -4.693 -14.458 847 2HE2 GLN 98 HE22 GLN 98 203.229 -5.724 -15.574 848 H GLU 99 HN GLU 99 205.007 -7.196 -8.272 849 HA GLU 99 HA GLU 99 204.835 -10.137 -8.186 850 1HB GLU 99 HB2 GLU 99 207.191 -8.296 -7.878 851 2HB GLU 99 HB1 GLU 99 207.243 -9.990 -7.404 852 1HG GLU 99 HG2 GLU 99 206.266 -10.176 -9.923 853 2HG GLU 99 HG1 GLU 99 207.314 -8.765 -10.060 854 H HIS 100 HN HIS 100 203.557 -7.873 -6.444 855 HA HIS 100 HA HIS 100 204.147 -9.247 -3.947 856 1HB HIS 100 HB2 HIS 100 204.440 -6.271 -4.291 857 2HB HIS 100 HB1 HIS 100 204.336 -7.067 -2.725 858 HD1 HIS 100 HD1 HIS 100 206.558 -7.043 -5.808 859 HD2 HIS 100 HD2 HIS 100 206.707 -7.993 -1.764 860 HE1 HIS 100 HE1 HIS 100 208.972 -7.555 -5.325 861 HE2 HIS 100 HE2 HIS 100 209.024 -8.207 -2.892 862 H HIS 101 HN HIS 101 201.977 -7.363 -5.852 863 HA HIS 101 HA HIS 101 200.048 -6.662 -3.992 864 1HB HIS 101 HB2 HIS 101 198.491 -6.508 -5.786 865 2HB HIS 101 HB1 HIS 101 200.061 -6.064 -6.445 866 HD1 HIS 101 HD1 HIS 101 197.202 -8.042 -7.221 867 HD2 HIS 101 HD2 HIS 101 201.297 -8.533 -7.742 868 HE1 HIS 101 HE1 HIS 101 197.449 -9.786 -9.015 869 HE2 HIS 101 HE2 HIS 101 199.932 -10.012 -9.366 870 H GLU 102 HN GLU 102 199.096 -7.875 -2.529 871 HA GLU 102 HA GLU 102 199.015 -10.711 -2.683 872 1HB GLU 102 HB2 GLU 102 197.763 -8.759 -0.753 873 2HB GLU 102 HB1 GLU 102 197.716 -10.507 -0.549 874 1HG GLU 102 HG2 GLU 102 200.408 -9.754 -1.029 875 2HG GLU 102 HG1 GLU 102 199.751 -8.683 0.206 876 H GLU 103 HN GLU 103 197.819 -10.416 -4.880 877 HA GLU 103 HA GLU 103 195.925 -10.571 -6.153 878 1HB GLU 103 HB2 GLU 103 196.196 -12.801 -5.063 879 2HB GLU 103 HB1 GLU 103 195.039 -12.293 -3.839 880 1HG GLU 103 HG2 GLU 103 193.282 -12.623 -5.182 881 2HG GLU 103 HG1 GLU 103 194.107 -11.964 -6.593 882 H ASP 104 HN ASP 104 195.854 -8.351 -4.160 883 HA ASP 104 HA ASP 104 192.921 -8.092 -3.958 884 1HB ASP 104 HB2 ASP 104 193.561 -6.341 -2.141 885 2HB ASP 104 HB1 ASP 104 193.606 -8.052 -1.729 886 H PHE 105 HN PHE 105 194.901 -7.377 -6.126 887 HA PHE 105 HA PHE 105 195.354 -5.673 -7.563 888 1HB PHE 105 HB2 PHE 105 192.696 -4.698 -6.500 889 2HB PHE 105 HB1 PHE 105 193.485 -4.086 -7.950 890 HD1 PHE 105 HD1 PHE 105 192.524 -7.389 -6.495 891 HD2 PHE 105 HD2 PHE 105 192.717 -4.905 -9.945 892 HE1 PHE 105 HE1 PHE 105 191.449 -9.158 -7.823 893 HE2 PHE 105 HE2 PHE 105 191.641 -6.669 -11.278 894 HZ PHE 105 HZ PHE 105 191.004 -8.799 -10.218 895 H PHE 106 HN PHE 106 196.100 -5.400 -4.628 896 HA PHE 106 HA PHE 106 196.639 -2.513 -4.652 897 1HB PHE 106 HB2 PHE 106 195.432 -4.198 -2.583 898 2HB PHE 106 HB1 PHE 106 196.771 -3.219 -1.994 899 HD1 PHE 106 HD1 PHE 106 195.747 -1.558 -0.727 900 HD2 PHE 106 HD2 PHE 106 194.289 -2.432 -4.627 901 HE1 PHE 106 HE1 PHE 106 194.257 0.396 -0.599 902 HE2 PHE 106 HE2 PHE 106 192.792 -0.473 -4.506 903 HZ PHE 106 HZ PHE 106 192.777 0.939 -2.491 904 H LEU 107 HN LEU 107 198.345 -2.312 -2.596 905 HA LEU 107 HA LEU 107 200.439 -4.256 -2.639 906 1HB LEU 107 HB2 LEU 107 200.766 -3.222 -4.829 907 2HB LEU 107 HB1 LEU 107 200.825 -1.633 -4.092 908 HG LEU 107 HG LEU 107 203.054 -2.158 -4.638 909 1HD1 LEU 107 HD11 LEU 107 202.862 -2.971 -1.747 910 2HD1 LEU 107 HD12 LEU 107 202.758 -1.307 -2.327 911 3HD1 LEU 107 HD13 LEU 107 204.230 -2.239 -2.580 912 1HD2 LEU 107 HD21 LEU 107 202.228 -4.807 -4.436 913 2HD2 LEU 107 HD22 LEU 107 203.456 -4.632 -3.182 914 3HD2 LEU 107 HD23 LEU 107 203.841 -4.228 -4.855 915 H TYR 108 HN TYR 108 200.340 -4.128 -0.391 916 HA TYR 108 HA TYR 108 200.682 -1.490 0.807 917 1HB TYR 108 HB2 TYR 108 200.398 -2.801 3.011 918 2HB TYR 108 HB1 TYR 108 198.995 -2.561 1.993 919 HD1 TYR 108 HD1 TYR 108 200.731 -4.875 3.913 920 HD2 TYR 108 HD2 TYR 108 198.557 -4.568 0.276 921 HE1 TYR 108 HE1 TYR 108 200.278 -7.288 3.992 922 HE2 TYR 108 HE2 TYR 108 198.099 -6.984 0.339 923 HH TYR 108 HH TYR 108 198.032 -8.777 2.600 924 H ILE 109 HN ILE 109 202.421 -0.740 1.564 925 HA ILE 109 HA ILE 109 204.786 -2.477 1.803 926 HB ILE 109 HB ILE 109 204.583 0.438 1.060 927 1HG1 ILE 109 HG12 ILE 109 204.706 -2.079 -0.525 928 2HG1 ILE 109 HG11 ILE 109 203.779 -0.612 -0.807 929 1HG2 ILE 109 HG21 ILE 109 206.683 0.130 2.111 930 2HG2 ILE 109 HG22 ILE 109 207.003 0.109 0.379 931 3HG2 ILE 109 HG23 ILE 109 206.956 -1.405 1.285 932 1HD1 ILE 109 HD11 ILE 109 205.312 -0.610 -2.529 933 2HD1 ILE 109 HD12 ILE 109 206.617 -1.218 -1.508 934 3HD1 ILE 109 HD13 ILE 109 206.071 0.450 -1.340 935 H ALA 110 HN ALA 110 206.499 -1.495 3.257 936 HA ALA 110 HA ALA 110 205.351 -0.033 5.538 937 1HB ALA 110 HB1 ALA 110 205.606 -1.760 6.906 938 2HB ALA 110 HB2 ALA 110 207.318 -1.858 6.491 939 3HB ALA 110 HB3 ALA 110 206.128 -2.747 5.544 940 H TYR 111 HN TYR 111 206.977 1.024 6.875 941 HA TYR 111 HA TYR 111 209.602 1.353 5.631 942 1HB TYR 111 HB2 TYR 111 209.452 3.746 5.492 943 2HB TYR 111 HB1 TYR 111 208.077 3.064 4.631 944 HD1 TYR 111 HD1 TYR 111 209.136 4.832 7.649 945 HD2 TYR 111 HD2 TYR 111 205.841 3.420 5.409 946 HE1 TYR 111 HE1 TYR 111 207.633 6.173 9.058 947 HE2 TYR 111 HE2 TYR 111 204.306 4.764 6.778 948 HH TYR 111 HH TYR 111 205.516 6.863 9.373 949 H SER 112 HN SER 112 211.154 1.414 7.111 950 HA SER 112 HA SER 112 210.520 2.307 9.852 951 1HB SER 112 HB2 SER 112 210.764 0.174 10.516 952 2HB SER 112 HB1 SER 112 211.402 -0.328 8.954 953 HG SER 112 HG SER 112 212.769 0.649 11.211 954 H ASP 113 HN ASP 113 212.519 2.830 11.105 955 HA ASP 113 HA ASP 113 214.295 4.386 9.423 956 1HB ASP 113 HB2 ASP 113 213.352 5.396 11.456 957 2HB ASP 113 HB1 ASP 113 214.147 4.165 12.437 958 H GLU 114 HN GLU 114 214.292 1.267 10.089 959 HA GLU 114 HA GLU 114 217.226 1.090 10.176 960 1HB GLU 114 HB2 GLU 114 215.354 -0.797 11.615 961 2HB GLU 114 HB1 GLU 114 217.112 -0.855 11.620 962 1HG GLU 114 HG2 GLU 114 216.120 1.716 12.502 963 2HG GLU 114 HG1 GLU 114 215.482 0.391 13.475 964 H SER 115 HN SER 115 217.866 -1.282 9.580 965 HA SER 115 HA SER 115 216.718 -1.754 6.979 966 1HB SER 115 HB2 SER 115 218.470 -3.519 6.783 967 2HB SER 115 HB1 SER 115 219.119 -1.929 7.192 968 HG SER 115 HG SER 115 219.811 -3.925 8.440 969 H VAL 116 HN VAL 116 215.615 -2.629 9.890 970 HA VAL 116 HA VAL 116 214.639 -5.230 8.942 971 HB VAL 116 HB VAL 116 213.957 -4.869 11.684 972 1HG1 VAL 116 HG11 VAL 116 215.760 -6.716 10.158 973 2HG1 VAL 116 HG12 VAL 116 214.173 -7.035 10.860 974 3HG1 VAL 116 HG13 VAL 116 215.580 -6.846 11.907 975 1HG2 VAL 116 HG21 VAL 116 216.154 -4.713 12.746 976 2HG2 VAL 116 HG22 VAL 116 215.783 -3.248 11.837 977 3HG2 VAL 116 HG23 VAL 116 216.904 -4.438 11.175 978 H TYR 117 HN TYR 117 212.363 -5.645 9.499 979 HA TYR 117 HA TYR 117 210.719 -3.503 8.708 980 1HB TYR 117 HB2 TYR 117 209.932 -5.720 8.275 981 2HB TYR 117 HB1 TYR 117 210.048 -6.162 9.977 982 HD1 TYR 117 HD1 TYR 117 207.901 -6.613 10.737 983 HD2 TYR 117 HD2 TYR 117 208.552 -3.190 8.302 984 HE1 TYR 117 HE1 TYR 117 205.568 -5.920 11.094 985 HE2 TYR 117 HE2 TYR 117 206.222 -2.494 8.638 986 HH TYR 117 HH TYR 117 203.861 -4.365 9.594 987 H GLY 118 HN GLY 118 211.711 -1.994 10.366 988 1HA GLY 118 HA2 GLY 118 211.352 -0.630 12.177 989 2HA GLY 118 HA1 GLY 118 209.789 -1.418 12.355 990 H LEU 119 HN LEU 119 209.989 -3.733 13.195 991 HA LEU 119 HA LEU 119 210.392 -4.058 15.722 992 1HB LEU 119 HB2 LEU 119 211.225 -5.888 13.511 993 2HB LEU 119 HB1 LEU 119 211.467 -6.369 15.182 994 HG LEU 119 HG LEU 119 208.772 -5.368 14.718 995 1HD1 LEU 119 HD11 LEU 119 209.022 -8.033 13.519 996 2HD1 LEU 119 HD12 LEU 119 209.696 -6.726 12.545 997 3HD1 LEU 119 HD13 LEU 119 208.007 -6.667 13.053 998 1HD2 LEU 119 HD21 LEU 119 208.166 -7.283 15.988 999 2HD2 LEU 119 HD22 LEU 119 209.636 -6.615 16.697 1000 3HD2 LEU 119 HD23 LEU 119 209.722 -8.056 15.680 Start of MODEL 6 1 1H GLY 1 HT1 GLY 1 204.118 -12.263 5.828 2 2H GLY 1 HT2 GLY 1 204.866 -12.932 4.467 3 3H GLY 1 HT3 GLY 1 205.605 -11.655 5.295 4 1HA GLY 1 HA1 GLY 1 205.409 -14.491 6.033 5 2HA GLY 1 HA2 GLY 1 206.805 -13.426 6.084 6 H SER 2 HN SER 2 205.723 -11.273 7.489 7 HA SER 2 HA SER 2 204.455 -12.140 9.897 8 1HB SER 2 HB2 SER 2 207.317 -11.259 10.247 9 2HB SER 2 HB1 SER 2 206.245 -12.002 11.434 10 HG SER 2 HG SER 2 206.450 -13.943 10.401 11 H MET 3 HN MET 3 203.736 -10.181 8.161 12 HA MET 3 HA MET 3 204.663 -7.639 9.245 13 1HB MET 3 HB2 MET 3 202.838 -8.316 6.941 14 2HB MET 3 HB1 MET 3 203.162 -6.669 7.467 15 1HG MET 3 HG2 MET 3 205.649 -7.346 7.159 16 2HG MET 3 HG1 MET 3 204.980 -8.621 6.142 17 1HE MET 3 HE1 MET 3 205.719 -4.342 5.056 18 2HE MET 3 HE2 MET 3 206.558 -5.415 6.176 19 3HE MET 3 HE3 MET 3 205.047 -4.636 6.658 20 H LYS 4 HN LYS 4 203.146 -6.005 9.929 21 HA LYS 4 HA LYS 4 200.647 -7.109 11.018 22 1HB LYS 4 HB2 LYS 4 202.898 -5.830 12.441 23 2HB LYS 4 HB1 LYS 4 201.293 -5.291 12.916 24 1HG LYS 4 HG2 LYS 4 201.838 -7.052 14.370 25 2HG LYS 4 HG1 LYS 4 200.701 -7.731 13.204 26 1HD LYS 4 HD2 LYS 4 202.306 -9.015 12.180 27 2HD LYS 4 HD1 LYS 4 203.619 -7.927 12.637 28 1HE LYS 4 HE2 LYS 4 202.140 -9.406 14.763 29 2HE LYS 4 HE1 LYS 4 203.347 -10.259 13.802 30 1HZ LYS 4 HZ1 LYS 4 205.029 -9.131 14.753 31 2HZ LYS 4 HZ2 LYS 4 203.924 -8.915 16.015 32 3HZ LYS 4 HZ3 LYS 4 204.159 -7.685 14.879 33 H PHE 5 HN PHE 5 199.804 -6.053 9.044 34 HA PHE 5 HA PHE 5 199.675 -3.135 9.174 35 1HB PHE 5 HB2 PHE 5 198.775 -5.118 7.064 36 2HB PHE 5 HB1 PHE 5 198.496 -3.384 6.951 37 HD1 PHE 5 HD1 PHE 5 199.794 -4.260 4.727 38 HD2 PHE 5 HD2 PHE 5 201.533 -3.643 8.567 39 HE1 PHE 5 HE1 PHE 5 202.010 -3.968 3.689 40 HE2 PHE 5 HE2 PHE 5 203.738 -3.350 7.519 41 HZ PHE 5 HZ PHE 5 203.963 -3.511 5.073 42 H VAL 6 HN VAL 6 197.641 -2.007 9.296 43 HA VAL 6 HA VAL 6 195.456 -3.697 10.322 44 HB VAL 6 HB VAL 6 196.573 -2.426 12.121 45 1HG1 VAL 6 HG11 VAL 6 197.141 -0.433 10.737 46 2HG1 VAL 6 HG12 VAL 6 196.414 -0.055 12.297 47 3HG1 VAL 6 HG13 VAL 6 195.445 0.045 10.829 48 1HG2 VAL 6 HG21 VAL 6 193.746 -1.517 11.618 49 2HG2 VAL 6 HG22 VAL 6 194.556 -1.646 13.180 50 3HG2 VAL 6 HG23 VAL 6 194.198 -3.101 12.248 51 H TYR 7 HN TYR 7 196.083 -0.498 8.822 52 HA TYR 7 HA TYR 7 193.379 0.046 8.273 53 1HB TYR 7 HB2 TYR 7 195.179 1.756 8.116 54 2HB TYR 7 HB1 TYR 7 195.761 0.970 6.652 55 HD1 TYR 7 HD1 TYR 7 194.953 1.639 4.585 56 HD2 TYR 7 HD2 TYR 7 192.696 2.539 8.076 57 HE1 TYR 7 HE1 TYR 7 193.397 2.971 3.225 58 HE2 TYR 7 HE2 TYR 7 191.133 3.873 6.729 59 HH TYR 7 HH TYR 7 191.079 3.772 3.335 60 H LYS 8 HN LYS 8 195.892 -1.410 6.229 61 HA LYS 8 HA LYS 8 194.093 -1.971 4.085 62 1HB LYS 8 HB2 LYS 8 195.936 -2.975 3.005 63 2HB LYS 8 HB1 LYS 8 196.623 -1.665 3.950 64 1HG LYS 8 HG2 LYS 8 198.100 -3.281 4.499 65 2HG LYS 8 HG1 LYS 8 196.889 -3.612 5.739 66 1HD LYS 8 HD2 LYS 8 195.937 -5.093 3.675 67 2HD LYS 8 HD1 LYS 8 197.675 -5.194 3.387 68 1HE LYS 8 HE2 LYS 8 198.078 -6.230 5.428 69 2HE LYS 8 HE1 LYS 8 196.556 -5.673 6.121 70 1HZ LYS 8 HZ1 LYS 8 196.756 -7.665 3.930 71 2HZ LYS 8 HZ2 LYS 8 195.358 -7.216 4.770 72 3HZ LYS 8 HZ3 LYS 8 196.586 -8.066 5.565 73 H GLU 9 HN GLU 9 195.262 -3.686 6.897 74 HA GLU 9 HA GLU 9 194.291 -6.248 6.157 75 1HB GLU 9 HB2 GLU 9 196.006 -5.414 8.036 76 2HB GLU 9 HB1 GLU 9 194.560 -5.552 9.027 77 1HG GLU 9 HG2 GLU 9 195.639 -7.763 7.299 78 2HG GLU 9 HG1 GLU 9 196.006 -7.572 9.012 79 H GLU 10 HN GLU 10 193.058 -3.646 8.206 80 HA GLU 10 HA GLU 10 190.725 -4.926 9.090 81 1HB GLU 10 HB2 GLU 10 191.551 -2.056 8.807 82 2HB GLU 10 HB1 GLU 10 189.897 -2.449 9.252 83 1HG GLU 10 HG2 GLU 10 191.153 -3.970 11.033 84 2HG GLU 10 HG1 GLU 10 192.403 -2.749 10.795 85 H HIS 11 HN HIS 11 191.230 -2.663 6.385 86 HA HIS 11 HA HIS 11 188.612 -2.685 5.400 87 1HB HIS 11 HB2 HIS 11 191.287 -2.011 4.306 88 2HB HIS 11 HB1 HIS 11 190.011 -2.312 3.132 89 HD1 HIS 11 HD1 HIS 11 190.921 0.019 5.947 90 HD2 HIS 11 HD2 HIS 11 188.142 -0.298 2.873 91 HE1 HIS 11 HE1 HIS 11 189.750 2.242 5.868 92 HE2 HIS 11 HE2 HIS 11 188.134 2.056 3.944 93 HA PRO 12 HA PRO 12 188.260 -7.115 4.454 94 1HB PRO 12 HB2 PRO 12 186.203 -6.075 2.626 95 2HB PRO 12 HB1 PRO 12 186.070 -7.292 3.892 96 1HG PRO 12 HG2 PRO 12 185.238 -4.609 4.047 97 2HG PRO 12 HG1 PRO 12 185.341 -5.764 5.382 98 1HD PRO 12 HD2 PRO 12 186.913 -3.439 4.989 99 2HD PRO 12 HD1 PRO 12 187.128 -4.684 6.230 100 H PHE 13 HN PHE 13 188.146 -8.376 2.404 101 HA PHE 13 HA PHE 13 190.165 -7.527 0.633 102 1HB PHE 13 HB2 PHE 13 189.407 -9.936 1.221 103 2HB PHE 13 HB1 PHE 13 188.213 -9.704 -0.052 104 HD1 PHE 13 HD1 PHE 13 191.303 -11.051 0.605 105 HD2 PHE 13 HD2 PHE 13 189.336 -8.600 -2.268 106 HE1 PHE 13 HE1 PHE 13 192.987 -11.679 -1.076 107 HE2 PHE 13 HE2 PHE 13 191.019 -9.225 -3.954 108 HZ PHE 13 HZ PHE 13 192.847 -10.766 -3.360 109 H GLU 14 HN GLU 14 186.645 -7.723 0.314 110 HA GLU 14 HA GLU 14 186.445 -6.972 -2.365 111 1HB GLU 14 HB2 GLU 14 184.595 -6.618 -0.017 112 2HB GLU 14 HB1 GLU 14 184.154 -6.064 -1.627 113 1HG GLU 14 HG2 GLU 14 185.110 -8.796 -1.644 114 2HG GLU 14 HG1 GLU 14 183.733 -8.579 -0.564 115 H LYS 15 HN LYS 15 187.256 -5.131 0.424 116 HA LYS 15 HA LYS 15 186.651 -2.567 -0.751 117 1HB LYS 15 HB2 LYS 15 188.327 -3.110 1.698 118 2HB LYS 15 HB1 LYS 15 187.472 -1.629 1.285 119 1HG LYS 15 HG2 LYS 15 185.808 -4.045 1.520 120 2HG LYS 15 HG1 LYS 15 186.547 -3.459 3.008 121 1HD LYS 15 HD2 LYS 15 185.651 -1.177 2.400 122 2HD LYS 15 HD1 LYS 15 184.705 -1.987 1.147 123 1HE LYS 15 HE2 LYS 15 183.846 -3.489 3.024 124 2HE LYS 15 HE1 LYS 15 184.531 -2.301 4.130 125 1HZ LYS 15 HZ1 LYS 15 182.942 -0.799 3.645 126 2HZ LYS 15 HZ2 LYS 15 182.049 -2.170 3.216 127 3HZ LYS 15 HZ3 LYS 15 182.822 -1.258 2.020 128 H ARG 16 HN ARG 16 189.698 -3.948 0.498 129 HA ARG 16 HA ARG 16 191.416 -2.168 -0.745 130 1HB ARG 16 HB2 ARG 16 193.133 -4.007 -0.553 131 2HB ARG 16 HB1 ARG 16 192.291 -3.604 0.937 132 1HG ARG 16 HG2 ARG 16 190.802 -5.544 0.567 133 2HG ARG 16 HG1 ARG 16 191.764 -5.970 -0.845 134 1HD ARG 16 HD2 ARG 16 193.332 -6.931 0.412 135 2HD ARG 16 HD1 ARG 16 193.427 -5.531 1.479 136 HE ARG 16 HE ARG 16 191.147 -6.756 2.267 137 1HH1 ARG 16 HH11 ARG 16 194.423 -7.872 1.808 138 2HH1 ARG 16 HH12 ARG 16 194.314 -9.087 3.037 139 1HH2 ARG 16 HH21 ARG 16 191.003 -8.353 3.883 140 2HH2 ARG 16 HH22 ARG 16 192.372 -9.361 4.215 141 H ARG 17 HN ARG 17 189.692 -4.874 -2.072 142 HA ARG 17 HA ARG 17 191.268 -4.983 -4.493 143 1HB ARG 17 HB2 ARG 17 190.206 -7.019 -3.618 144 2HB ARG 17 HB1 ARG 17 188.622 -6.284 -3.828 145 1HG ARG 17 HG2 ARG 17 189.009 -6.159 -6.245 146 2HG ARG 17 HG1 ARG 17 190.579 -6.933 -6.023 147 1HD ARG 17 HD2 ARG 17 189.478 -8.907 -5.108 148 2HD ARG 17 HD1 ARG 17 187.908 -8.133 -5.307 149 HE ARG 17 HE ARG 17 188.918 -8.072 -7.803 150 1HH1 ARG 17 HH11 ARG 17 188.569 -10.638 -5.462 151 2HH1 ARG 17 HH12 ARG 17 188.403 -11.877 -6.660 152 1HH2 ARG 17 HH21 ARG 17 188.699 -9.702 -9.380 153 2HH2 ARG 17 HH22 ARG 17 188.477 -11.347 -8.883 154 H SER 18 HN SER 18 187.988 -3.950 -3.590 155 HA SER 18 HA SER 18 186.994 -3.132 -5.989 156 1HB SER 18 HB2 SER 18 185.563 -2.976 -4.108 157 2HB SER 18 HB1 SER 18 186.685 -1.925 -3.243 158 HG SER 18 HG SER 18 185.183 -1.274 -5.563 159 H GLU 19 HN GLU 19 189.107 -1.278 -3.834 160 HA GLU 19 HA GLU 19 189.237 1.030 -5.471 161 1HB GLU 19 HB2 GLU 19 190.377 0.109 -2.986 162 2HB GLU 19 HB1 GLU 19 191.594 0.911 -3.966 163 1HG GLU 19 HG2 GLU 19 190.619 2.934 -3.782 164 2HG GLU 19 HG1 GLU 19 188.988 2.267 -3.725 165 H GLY 20 HN GLY 20 191.286 -1.828 -5.117 166 1HA GLY 20 HA2 GLY 20 193.335 -0.970 -6.867 167 2HA GLY 20 HA1 GLY 20 193.016 -2.632 -6.393 168 H GLU 21 HN GLU 21 190.706 -3.321 -7.433 169 HA GLU 21 HA GLU 21 191.178 -3.815 -10.091 170 1HB GLU 21 HB2 GLU 21 189.601 -5.177 -9.056 171 2HB GLU 21 HB1 GLU 21 188.681 -3.815 -8.434 172 1HG GLU 21 HG2 GLU 21 187.484 -3.594 -10.312 173 2HG GLU 21 HG1 GLU 21 188.845 -4.002 -11.355 174 H LYS 22 HN LYS 22 189.865 -0.954 -8.633 175 HA LYS 22 HA LYS 22 188.914 0.051 -11.199 176 1HB LYS 22 HB2 LYS 22 187.381 0.634 -9.567 177 2HB LYS 22 HB1 LYS 22 188.617 0.916 -8.352 178 1HG LYS 22 HG2 LYS 22 188.605 2.741 -10.676 179 2HG LYS 22 HG1 LYS 22 187.257 2.878 -9.547 180 1HD LYS 22 HD2 LYS 22 189.655 2.654 -8.034 181 2HD LYS 22 HD1 LYS 22 189.907 3.878 -9.281 182 1HE LYS 22 HE2 LYS 22 187.881 5.034 -8.566 183 2HE LYS 22 HE1 LYS 22 187.599 3.801 -7.339 184 1HZ LYS 22 HZ1 LYS 22 188.668 5.331 -6.080 185 2HZ LYS 22 HZ2 LYS 22 189.542 5.978 -7.375 186 3HZ LYS 22 HZ3 LYS 22 190.036 4.525 -6.665 187 H ILE 23 HN ILE 23 191.230 0.917 -8.664 188 HA ILE 23 HA ILE 23 192.365 3.147 -9.920 189 HB ILE 23 HB ILE 23 193.416 1.179 -7.900 190 1HG1 ILE 23 HG12 ILE 23 192.924 4.086 -7.426 191 2HG1 ILE 23 HG11 ILE 23 191.549 2.993 -7.540 192 1HG2 ILE 23 HG21 ILE 23 194.818 3.763 -8.424 193 2HG2 ILE 23 HG22 ILE 23 195.235 2.328 -9.358 194 3HG2 ILE 23 HG23 ILE 23 195.403 2.319 -7.605 195 1HD1 ILE 23 HD11 ILE 23 193.212 3.511 -5.323 196 2HD1 ILE 23 HD12 ILE 23 193.462 1.832 -5.801 197 3HD1 ILE 23 HD13 ILE 23 191.838 2.412 -5.435 198 H ARG 24 HN ARG 24 192.736 -0.250 -10.463 199 HA ARG 24 HA ARG 24 195.187 -0.027 -11.966 200 1HB ARG 24 HB2 ARG 24 193.230 -2.295 -11.565 201 2HB ARG 24 HB1 ARG 24 194.715 -2.439 -12.497 202 1HG ARG 24 HG2 ARG 24 194.555 -1.733 -9.574 203 2HG ARG 24 HG1 ARG 24 194.953 -3.322 -10.226 204 1HD ARG 24 HD2 ARG 24 196.511 -0.806 -10.780 205 2HD ARG 24 HD1 ARG 24 196.929 -1.978 -9.534 206 HE ARG 24 HE ARG 24 197.032 -3.608 -11.496 207 1HH1 ARG 24 HH11 ARG 24 197.855 -0.217 -11.757 208 2HH1 ARG 24 HH12 ARG 24 198.942 -0.462 -13.080 209 1HH2 ARG 24 HH21 ARG 24 198.463 -3.917 -13.232 210 2HH2 ARG 24 HH22 ARG 24 199.288 -2.556 -13.916 211 H LYS 25 HN LYS 25 191.749 -0.480 -12.633 212 HA LYS 25 HA LYS 25 192.060 -0.673 -15.466 213 1HB LYS 25 HB2 LYS 25 189.662 -0.111 -13.726 214 2HB LYS 25 HB1 LYS 25 189.586 -0.446 -15.454 215 1HG LYS 25 HG2 LYS 25 190.434 -2.664 -15.121 216 2HG LYS 25 HG1 LYS 25 190.735 -2.334 -13.413 217 1HD LYS 25 HD2 LYS 25 188.693 -3.637 -13.697 218 2HD LYS 25 HD1 LYS 25 188.323 -2.034 -13.059 219 1HE LYS 25 HE2 LYS 25 187.177 -1.428 -14.897 220 2HE LYS 25 HE1 LYS 25 188.308 -2.229 -15.988 221 1HZ LYS 25 HZ1 LYS 25 187.101 -4.110 -15.995 222 2HZ LYS 25 HZ2 LYS 25 185.832 -3.090 -15.538 223 3HZ LYS 25 HZ3 LYS 25 186.661 -3.985 -14.366 224 H LYS 26 HN LYS 26 191.193 1.887 -13.207 225 HA LYS 26 HA LYS 26 190.650 3.806 -15.242 226 1HB LYS 26 HB2 LYS 26 189.902 3.631 -12.691 227 2HB LYS 26 HB1 LYS 26 191.292 4.689 -12.493 228 1HG LYS 26 HG2 LYS 26 190.354 6.348 -13.868 229 2HG LYS 26 HG1 LYS 26 189.120 5.244 -14.482 230 1HD LYS 26 HD2 LYS 26 187.819 5.445 -12.625 231 2HD LYS 26 HD1 LYS 26 189.198 5.713 -11.556 232 1HE LYS 26 HE2 LYS 26 189.113 7.945 -11.809 233 2HE LYS 26 HE1 LYS 26 188.770 7.833 -13.535 234 1HZ LYS 26 HZ1 LYS 26 186.756 7.331 -11.414 235 2HZ LYS 26 HZ2 LYS 26 186.477 7.455 -13.077 236 3HZ LYS 26 HZ3 LYS 26 186.951 8.819 -12.196 237 H TYR 27 HN TYR 27 193.360 2.976 -13.191 238 HA TYR 27 HA TYR 27 195.010 4.888 -14.712 239 1HB TYR 27 HB2 TYR 27 195.893 4.066 -11.992 240 2HB TYR 27 HB1 TYR 27 196.139 5.588 -12.839 241 HD1 TYR 27 HD1 TYR 27 195.006 4.674 -9.939 242 HD2 TYR 27 HD2 TYR 27 193.351 6.352 -13.479 243 HE1 TYR 27 HE1 TYR 27 193.203 5.685 -8.605 244 HE2 TYR 27 HE2 TYR 27 191.545 7.372 -12.158 245 HH TYR 27 HH TYR 27 191.580 7.954 -9.129 246 HA PRO 28 HA PRO 28 196.781 0.785 -15.603 247 1HB PRO 28 HB2 PRO 28 197.737 2.031 -18.055 248 2HB PRO 28 HB1 PRO 28 196.591 0.705 -17.858 249 1HG PRO 28 HG2 PRO 28 195.856 3.163 -18.743 250 2HG PRO 28 HG1 PRO 28 194.773 2.108 -17.819 251 1HD PRO 28 HD2 PRO 28 196.393 4.448 -16.882 252 2HD PRO 28 HD1 PRO 28 194.720 4.002 -16.479 253 H ASP 29 HN ASP 29 198.175 3.916 -15.314 254 HA ASP 29 HA ASP 29 200.894 2.816 -15.444 255 1HB ASP 29 HB2 ASP 29 200.099 5.723 -15.253 256 2HB ASP 29 HB1 ASP 29 201.682 5.072 -15.670 257 H ARG 30 HN ARG 30 198.519 3.896 -13.220 258 HA ARG 30 HA ARG 30 200.482 4.383 -11.111 259 1HB ARG 30 HB2 ARG 30 197.598 4.965 -11.500 260 2HB ARG 30 HB1 ARG 30 198.129 4.685 -9.850 261 1HG ARG 30 HG2 ARG 30 199.925 6.489 -11.182 262 2HG ARG 30 HG1 ARG 30 198.260 7.058 -11.312 263 1HD ARG 30 HD2 ARG 30 198.368 6.280 -8.711 264 2HD ARG 30 HD1 ARG 30 200.009 6.863 -8.971 265 HE ARG 30 HE ARG 30 197.678 8.446 -8.714 266 1HH1 ARG 30 HH11 ARG 30 200.694 8.267 -10.461 267 2HH1 ARG 30 HH12 ARG 30 200.799 9.978 -10.706 268 1HH2 ARG 30 HH21 ARG 30 197.813 10.699 -9.036 269 2HH2 ARG 30 HH22 ARG 30 199.164 11.358 -9.897 270 H VAL 31 HN VAL 31 200.290 3.312 -9.039 271 HA VAL 31 HA VAL 31 198.970 0.690 -9.161 272 HB VAL 31 HB VAL 31 200.830 -0.387 -8.047 273 1HG1 VAL 31 HG11 VAL 31 201.005 0.771 -10.688 274 2HG1 VAL 31 HG12 VAL 31 201.428 -0.849 -10.132 275 3HG1 VAL 31 HG13 VAL 31 202.602 0.462 -10.004 276 1HG2 VAL 31 HG21 VAL 31 202.215 0.829 -6.798 277 2HG2 VAL 31 HG22 VAL 31 201.714 2.330 -7.586 278 3HG2 VAL 31 HG23 VAL 31 202.995 1.347 -8.294 279 HA PRO 32 HA PRO 32 197.287 2.295 -5.321 280 1HB PRO 32 HB2 PRO 32 195.973 0.013 -4.596 281 2HB PRO 32 HB1 PRO 32 195.341 1.160 -5.783 282 1HG PRO 32 HG2 PRO 32 196.812 -1.409 -6.229 283 2HG PRO 32 HG1 PRO 32 195.376 -0.786 -7.063 284 1HD PRO 32 HD2 PRO 32 197.827 -0.620 -8.151 285 2HD PRO 32 HD1 PRO 32 196.620 0.664 -8.377 286 H VAL 33 HN VAL 33 198.853 2.525 -3.821 287 HA VAL 33 HA VAL 33 200.070 0.083 -2.724 288 HB VAL 33 HB VAL 33 201.168 2.894 -2.750 289 1HG1 VAL 33 HG11 VAL 33 201.847 1.682 -0.747 290 2HG1 VAL 33 HG12 VAL 33 203.210 1.921 -1.840 291 3HG1 VAL 33 HG13 VAL 33 202.425 0.346 -1.743 292 1HG2 VAL 33 HG21 VAL 33 202.039 0.424 -4.265 293 2HG2 VAL 33 HG22 VAL 33 202.824 2.007 -4.307 294 3HG2 VAL 33 HG23 VAL 33 201.191 1.819 -4.945 295 H ILE 34 HN ILE 34 200.355 -0.155 -0.527 296 HA ILE 34 HA ILE 34 198.970 1.767 1.207 297 HB ILE 34 HB ILE 34 198.740 -1.234 1.358 298 1HG1 ILE 34 HG12 ILE 34 197.274 -0.079 -0.291 299 2HG1 ILE 34 HG11 ILE 34 196.380 -0.883 0.995 300 1HG2 ILE 34 HG21 ILE 34 198.394 -1.051 3.538 301 2HG2 ILE 34 HG22 ILE 34 197.038 0.033 3.223 302 3HG2 ILE 34 HG23 ILE 34 198.657 0.689 3.455 303 1HD1 ILE 34 HD11 ILE 34 196.973 1.850 1.685 304 2HD1 ILE 34 HD12 ILE 34 195.421 1.012 1.609 305 3HD1 ILE 34 HD13 ILE 34 196.106 1.737 0.154 306 H VAL 35 HN VAL 35 201.011 2.617 1.748 307 HA VAL 35 HA VAL 35 203.149 1.020 2.728 308 HB VAL 35 HB VAL 35 202.682 3.979 3.093 309 1HG1 VAL 35 HG11 VAL 35 205.359 3.650 2.951 310 2HG1 VAL 35 HG12 VAL 35 204.890 2.164 3.777 311 3HG1 VAL 35 HG13 VAL 35 204.446 3.731 4.458 312 1HG2 VAL 35 HG21 VAL 35 204.158 4.207 1.114 313 2HG2 VAL 35 HG22 VAL 35 202.616 3.432 0.751 314 3HG2 VAL 35 HG23 VAL 35 204.080 2.458 0.898 315 H GLU 36 HN GLU 36 203.938 0.798 4.837 316 HA GLU 36 HA GLU 36 202.158 1.594 7.035 317 1HB GLU 36 HB2 GLU 36 202.971 -1.167 6.241 318 2HB GLU 36 HB1 GLU 36 202.903 -0.801 7.961 319 1HG GLU 36 HG2 GLU 36 200.773 -1.484 7.703 320 2HG GLU 36 HG1 GLU 36 200.546 0.199 7.249 321 H LYS 37 HN LYS 37 203.206 1.388 9.183 322 HA LYS 37 HA LYS 37 206.069 2.013 8.981 323 1HB LYS 37 HB2 LYS 37 204.216 3.512 10.167 324 2HB LYS 37 HB1 LYS 37 204.521 2.414 11.507 325 1HG LYS 37 HG2 LYS 37 207.057 3.118 10.759 326 2HG LYS 37 HG1 LYS 37 206.148 4.598 10.469 327 1HD LYS 37 HD2 LYS 37 206.877 4.749 12.694 328 2HD LYS 37 HD1 LYS 37 205.177 4.293 12.790 329 1HE LYS 37 HE2 LYS 37 206.379 1.864 12.697 330 2HE LYS 37 HE1 LYS 37 207.583 2.812 13.573 331 1HZ LYS 37 HZ1 LYS 37 204.717 2.753 14.329 332 2HZ LYS 37 HZ2 LYS 37 206.015 3.348 15.236 333 3HZ LYS 37 HZ3 LYS 37 205.860 1.684 14.975 334 H ALA 38 HN ALA 38 206.831 -0.071 8.869 335 HA ALA 38 HA ALA 38 206.302 -2.380 10.025 336 1HB ALA 38 HB1 ALA 38 209.047 -1.145 10.029 337 2HB ALA 38 HB2 ALA 38 208.287 -2.007 8.683 338 3HB ALA 38 HB3 ALA 38 208.691 -2.868 10.169 339 HA PRO 39 HA PRO 39 206.010 -2.229 14.422 340 1HB PRO 39 HB2 PRO 39 207.180 -4.692 14.951 341 2HB PRO 39 HB1 PRO 39 205.475 -4.435 14.556 342 1HG PRO 39 HG2 PRO 39 207.728 -5.274 12.797 343 2HG PRO 39 HG1 PRO 39 206.048 -5.833 12.809 344 1HD PRO 39 HD2 PRO 39 206.938 -4.128 10.961 345 2HD PRO 39 HD1 PRO 39 205.301 -3.979 11.635 346 H LYS 40 HN LYS 40 207.306 -1.868 16.233 347 HA LYS 40 HA LYS 40 209.148 -1.296 17.419 348 1HB LYS 40 HB2 LYS 40 210.456 -3.187 15.473 349 2HB LYS 40 HB1 LYS 40 211.321 -2.425 16.798 350 1HG LYS 40 HG2 LYS 40 210.720 -4.528 17.610 351 2HG LYS 40 HG1 LYS 40 209.544 -3.420 18.319 352 1HD LYS 40 HD2 LYS 40 207.853 -4.093 16.815 353 2HD LYS 40 HD1 LYS 40 209.005 -4.932 15.774 354 1HE LYS 40 HE2 LYS 40 208.415 -6.785 16.869 355 2HE LYS 40 HE1 LYS 40 209.367 -6.155 18.211 356 1HZ LYS 40 HZ1 LYS 40 206.444 -5.846 17.798 357 2HZ LYS 40 HZ2 LYS 40 207.316 -5.046 19.008 358 3HZ LYS 40 HZ3 LYS 40 207.216 -6.735 19.016 359 H ALA 41 HN ALA 41 208.942 -0.539 14.081 360 HA ALA 41 HA ALA 41 211.242 0.832 13.517 361 1HB ALA 41 HB1 ALA 41 208.394 1.342 12.725 362 2HB ALA 41 HB2 ALA 41 209.693 0.636 11.766 363 3HB ALA 41 HB3 ALA 41 209.706 2.362 12.143 364 H ARG 42 HN ARG 42 212.172 2.638 14.249 365 HA ARG 42 HA ARG 42 210.928 4.034 16.468 366 1HB ARG 42 HB2 ARG 42 213.699 4.555 15.422 367 2HB ARG 42 HB1 ARG 42 213.076 4.820 17.045 368 1HG ARG 42 HG2 ARG 42 213.074 2.504 17.523 369 2HG ARG 42 HG1 ARG 42 213.355 2.086 15.831 370 1HD ARG 42 HD2 ARG 42 215.544 3.362 16.042 371 2HD ARG 42 HD1 ARG 42 215.261 3.354 17.782 372 HE ARG 42 HE ARG 42 216.099 1.142 16.149 373 1HH1 ARG 42 HH11 ARG 42 214.544 2.071 19.131 374 2HH1 ARG 42 HH12 ARG 42 214.905 0.578 19.930 375 1HH2 ARG 42 HH21 ARG 42 216.573 -0.823 17.198 376 2HH2 ARG 42 HH22 ARG 42 216.057 -1.065 18.833 377 H ILE 43 HN ILE 43 209.856 4.462 13.947 378 HA ILE 43 HA ILE 43 210.458 7.316 13.494 379 HB ILE 43 HB ILE 43 209.314 6.735 11.204 380 1HG1 ILE 43 HG12 ILE 43 210.592 4.113 11.978 381 2HG1 ILE 43 HG11 ILE 43 208.859 4.391 11.836 382 1HG2 ILE 43 HG21 ILE 43 212.157 6.358 12.033 383 2HG2 ILE 43 HG22 ILE 43 211.426 7.675 11.116 384 3HG2 ILE 43 HG23 ILE 43 211.671 6.102 10.356 385 1HD1 ILE 43 HD11 ILE 43 210.857 3.889 9.779 386 2HD1 ILE 43 HD12 ILE 43 209.760 5.224 9.415 387 3HD1 ILE 43 HD13 ILE 43 209.110 3.621 9.780 388 H GLY 44 HN GLY 44 208.561 8.430 12.417 389 1HA GLY 44 HA2 GLY 44 206.348 8.310 14.198 390 2HA GLY 44 HA1 GLY 44 206.462 9.310 12.759 391 H ASP 45 HN ASP 45 204.287 7.564 13.947 392 HA ASP 45 HA ASP 45 203.902 5.479 11.995 393 1HB ASP 45 HB2 ASP 45 201.874 4.983 13.185 394 2HB ASP 45 HB1 ASP 45 203.139 5.305 14.367 395 H LEU 46 HN LEU 46 202.797 5.576 10.158 396 HA LEU 46 HA LEU 46 201.759 8.131 9.288 397 1HB LEU 46 HB2 LEU 46 202.845 5.781 8.054 398 2HB LEU 46 HB1 LEU 46 201.288 6.144 7.336 399 HG LEU 46 HG LEU 46 203.062 8.464 7.634 400 1HD1 LEU 46 HD11 LEU 46 204.324 7.774 5.544 401 2HD1 LEU 46 HD12 LEU 46 203.811 6.126 5.905 402 3HD1 LEU 46 HD13 LEU 46 204.815 7.009 7.055 403 1HD2 LEU 46 HD21 LEU 46 201.034 8.757 6.463 404 2HD2 LEU 46 HD22 LEU 46 201.298 7.309 5.492 405 3HD2 LEU 46 HD23 LEU 46 202.300 8.737 5.235 406 H ASP 47 HN ASP 47 199.669 8.651 8.947 407 HA ASP 47 HA ASP 47 197.654 6.632 9.681 408 1HB ASP 47 HB2 ASP 47 196.203 8.538 10.296 409 2HB ASP 47 HB1 ASP 47 197.698 8.517 11.226 410 H LYS 48 HN LYS 48 198.867 7.109 7.027 411 HA LYS 48 HA LYS 48 196.463 7.927 5.535 412 1HB LYS 48 HB2 LYS 48 198.340 9.377 5.052 413 2HB LYS 48 HB1 LYS 48 199.379 7.995 4.739 414 1HG LYS 48 HG2 LYS 48 197.780 7.427 2.841 415 2HG LYS 48 HG1 LYS 48 197.124 9.049 3.069 416 1HD LYS 48 HD2 LYS 48 199.531 9.872 2.852 417 2HD LYS 48 HD1 LYS 48 199.909 8.255 2.254 418 1HE LYS 48 HE2 LYS 48 199.479 9.301 0.273 419 2HE LYS 48 HE1 LYS 48 197.854 8.745 0.670 420 1HZ LYS 48 HZ1 LYS 48 198.448 11.264 0.039 421 2HZ LYS 48 HZ2 LYS 48 198.575 11.349 1.722 422 3HZ LYS 48 HZ3 LYS 48 197.132 10.830 1.010 423 H LYS 49 HN LYS 49 199.275 5.762 5.312 424 HA LYS 49 HA LYS 49 199.517 3.628 4.612 425 1HB LYS 49 HB2 LYS 49 196.592 3.674 5.223 426 2HB LYS 49 HB1 LYS 49 197.261 2.283 4.378 427 1HG LYS 49 HG2 LYS 49 198.790 3.099 6.731 428 2HG LYS 49 HG1 LYS 49 197.142 2.565 7.075 429 1HD LYS 49 HD2 LYS 49 197.927 0.675 5.310 430 2HD LYS 49 HD1 LYS 49 199.462 1.047 6.088 431 1HE LYS 49 HE2 LYS 49 196.971 -0.118 7.235 432 2HE LYS 49 HE1 LYS 49 198.637 -0.639 7.434 433 1HZ LYS 49 HZ1 LYS 49 198.739 1.753 8.588 434 2HZ LYS 49 HZ2 LYS 49 198.388 0.330 9.432 435 3HZ LYS 49 HZ3 LYS 49 197.132 1.343 8.927 436 H LYS 50 HN LYS 50 196.562 4.855 3.000 437 HA LYS 50 HA LYS 50 197.058 3.512 0.577 438 1HB LYS 50 HB2 LYS 50 195.368 5.940 1.176 439 2HB LYS 50 HB1 LYS 50 195.360 5.096 -0.366 440 1HG LYS 50 HG2 LYS 50 194.948 3.149 1.629 441 2HG LYS 50 HG1 LYS 50 193.905 4.514 2.018 442 1HD LYS 50 HD2 LYS 50 192.822 2.833 0.551 443 2HD LYS 50 HD1 LYS 50 192.907 4.440 -0.175 444 1HE LYS 50 HE2 LYS 50 195.261 3.198 -0.966 445 2HE LYS 50 HE1 LYS 50 194.041 1.932 -1.073 446 1HZ LYS 50 HZ1 LYS 50 192.967 2.978 -2.742 447 2HZ LYS 50 HZ2 LYS 50 194.493 3.649 -3.022 448 3HZ LYS 50 HZ3 LYS 50 193.326 4.531 -2.174 449 H TYR 51 HN TYR 51 198.063 4.049 -1.272 450 HA TYR 51 HA TYR 51 199.123 6.734 -1.653 451 1HB TYR 51 HB2 TYR 51 200.828 4.272 -1.369 452 2HB TYR 51 HB1 TYR 51 201.371 5.657 -2.308 453 HD1 TYR 51 HD1 TYR 51 200.570 4.419 1.021 454 HD2 TYR 51 HD2 TYR 51 202.015 7.718 -1.219 455 HE1 TYR 51 HE1 TYR 51 201.377 5.461 3.102 456 HE2 TYR 51 HE2 TYR 51 202.830 8.778 0.845 457 HH TYR 51 HH TYR 51 203.288 7.213 3.654 458 H LEU 52 HN LEU 52 198.612 7.296 -3.651 459 HA LEU 52 HA LEU 52 198.299 5.193 -5.679 460 1HB LEU 52 HB2 LEU 52 196.599 7.218 -5.008 461 2HB LEU 52 HB1 LEU 52 197.485 7.963 -6.322 462 HG LEU 52 HG LEU 52 196.773 6.276 -7.868 463 1HD1 LEU 52 HD11 LEU 52 196.217 4.773 -5.423 464 2HD1 LEU 52 HD12 LEU 52 196.613 4.203 -7.043 465 3HD1 LEU 52 HD13 LEU 52 194.953 4.646 -6.646 466 1HD2 LEU 52 HD21 LEU 52 194.134 6.409 -6.979 467 2HD2 LEU 52 HD22 LEU 52 194.950 7.529 -8.069 468 3HD2 LEU 52 HD23 LEU 52 194.908 7.858 -6.338 469 H VAL 53 HN VAL 53 200.627 5.060 -5.816 470 HA VAL 53 HA VAL 53 201.931 7.334 -7.119 471 HB VAL 53 HB VAL 53 203.873 5.378 -6.848 472 1HG1 VAL 53 HG11 VAL 53 204.587 6.813 -4.871 473 2HG1 VAL 53 HG12 VAL 53 203.120 7.747 -5.160 474 3HG1 VAL 53 HG13 VAL 53 204.356 7.639 -6.412 475 1HG2 VAL 53 HG21 VAL 53 202.043 5.298 -4.454 476 2HG2 VAL 53 HG22 VAL 53 203.713 4.737 -4.440 477 3HG2 VAL 53 HG23 VAL 53 202.529 3.950 -5.481 478 HA PRO 54 HA PRO 54 201.991 5.713 -11.197 479 1HB PRO 54 HB2 PRO 54 204.919 6.198 -11.221 480 2HB PRO 54 HB1 PRO 54 203.669 6.806 -12.311 481 1HG PRO 54 HG2 PRO 54 204.795 8.401 -10.494 482 2HG PRO 54 HG1 PRO 54 203.067 8.524 -10.877 483 1HD PRO 54 HD2 PRO 54 204.404 7.278 -8.510 484 2HD PRO 54 HD1 PRO 54 202.893 8.207 -8.596 485 H SER 55 HN SER 55 203.769 4.378 -12.593 486 HA SER 55 HA SER 55 204.282 1.947 -11.011 487 1HB SER 55 HB2 SER 55 203.988 0.671 -13.073 488 2HB SER 55 HB1 SER 55 202.575 1.689 -12.798 489 HG SER 55 HG SER 55 204.650 1.998 -14.679 490 H ASP 56 HN ASP 56 205.734 4.476 -12.731 491 HA ASP 56 HA ASP 56 208.171 2.935 -13.239 492 1HB ASP 56 HB2 ASP 56 207.487 5.770 -14.054 493 2HB ASP 56 HB1 ASP 56 208.910 4.859 -14.552 494 H LEU 57 HN LEU 57 206.747 4.803 -10.876 495 HA LEU 57 HA LEU 57 208.822 6.432 -9.983 496 1HB LEU 57 HB2 LEU 57 206.514 6.603 -9.165 497 2HB LEU 57 HB1 LEU 57 206.702 5.066 -8.336 498 HG LEU 57 HG LEU 57 208.762 6.350 -7.242 499 1HD1 LEU 57 HD11 LEU 57 208.242 8.376 -8.629 500 2HD1 LEU 57 HD12 LEU 57 208.379 8.652 -6.893 501 3HD1 LEU 57 HD13 LEU 57 206.788 8.575 -7.652 502 1HD2 LEU 57 HD21 LEU 57 206.836 7.228 -5.576 503 2HD2 LEU 57 HD22 LEU 57 207.378 5.553 -5.655 504 3HD2 LEU 57 HD23 LEU 57 205.925 6.049 -6.519 505 H THR 58 HN THR 58 210.809 5.772 -9.548 506 HA THR 58 HA THR 58 211.466 3.112 -8.816 507 HB THR 58 HB THR 58 213.702 4.456 -8.152 508 HG1 THR 58 HG1 THR 58 212.601 6.086 -10.172 509 1HG2 THR 58 HG21 THR 58 214.425 3.345 -9.912 510 2HG2 THR 58 HG22 THR 58 213.647 4.513 -10.981 511 3HG2 THR 58 HG23 THR 58 212.761 3.087 -10.439 512 H VAL 59 HN VAL 59 212.119 2.242 -6.898 513 HA VAL 59 HA VAL 59 210.802 2.874 -4.588 514 HB VAL 59 HB VAL 59 213.368 1.407 -5.082 515 1HG1 VAL 59 HG11 VAL 59 213.758 2.311 -2.906 516 2HG1 VAL 59 HG12 VAL 59 213.257 0.633 -2.693 517 3HG1 VAL 59 HG13 VAL 59 212.112 1.940 -2.394 518 1HG2 VAL 59 HG21 VAL 59 212.112 -0.479 -4.970 519 2HG2 VAL 59 HG22 VAL 59 210.856 0.645 -5.489 520 3HG2 VAL 59 HG23 VAL 59 210.994 0.198 -3.788 521 H GLY 60 HN GLY 60 213.877 4.145 -5.738 522 1HA GLY 60 HA2 GLY 60 214.691 5.451 -3.376 523 2HA GLY 60 HA1 GLY 60 215.166 5.906 -5.008 524 H GLN 61 HN GLN 61 212.458 6.340 -5.918 525 HA GLN 61 HA GLN 61 212.138 9.063 -5.089 526 1HB GLN 61 HB2 GLN 61 210.447 7.315 -6.872 527 2HB GLN 61 HB1 GLN 61 210.224 9.047 -6.650 528 1HG GLN 61 HG2 GLN 61 212.535 9.389 -7.453 529 2HG GLN 61 HG1 GLN 61 212.613 7.669 -7.824 530 1HE2 GLN 61 HE21 GLN 61 209.999 7.335 -8.766 531 2HE2 GLN 61 HE22 GLN 61 209.851 8.148 -10.284 532 H PHE 62 HN PHE 62 210.163 6.117 -4.827 533 HA PHE 62 HA PHE 62 208.005 7.094 -3.426 534 1HB PHE 62 HB2 PHE 62 208.478 4.709 -4.291 535 2HB PHE 62 HB1 PHE 62 209.251 4.446 -2.732 536 HD1 PHE 62 HD1 PHE 62 207.845 2.947 -1.663 537 HD2 PHE 62 HD2 PHE 62 206.203 6.415 -3.498 538 HE1 PHE 62 HE1 PHE 62 205.652 2.429 -0.671 539 HE2 PHE 62 HE2 PHE 62 204.008 5.906 -2.510 540 HZ PHE 62 HZ PHE 62 203.732 3.913 -1.096 541 H TYR 63 HN TYR 63 211.142 6.065 -2.164 542 HA TYR 63 HA TYR 63 210.681 6.180 0.559 543 1HB TYR 63 HB2 TYR 63 213.037 6.548 -1.203 544 2HB TYR 63 HB1 TYR 63 213.195 7.170 0.434 545 HD1 TYR 63 HD1 TYR 63 213.800 4.449 -1.581 546 HD2 TYR 63 HD2 TYR 63 212.311 5.394 2.285 547 HE1 TYR 63 HE1 TYR 63 214.404 2.196 -0.806 548 HE2 TYR 63 HE2 TYR 63 212.910 3.154 3.075 549 HH TYR 63 HH TYR 63 214.928 1.283 1.962 550 H PHE 64 HN PHE 64 212.372 8.709 -1.193 551 HA PHE 64 HA PHE 64 212.379 10.771 0.526 552 1HB PHE 64 HB2 PHE 64 213.455 11.144 -1.496 553 2HB PHE 64 HB1 PHE 64 212.075 10.607 -2.442 554 HD1 PHE 64 HD1 PHE 64 210.584 12.132 -3.354 555 HD2 PHE 64 HD2 PHE 64 213.329 13.410 -0.362 556 HE1 PHE 64 HE1 PHE 64 209.977 14.476 -3.802 557 HE2 PHE 64 HE2 PHE 64 212.724 15.754 -0.801 558 HZ PHE 64 HZ PHE 64 211.047 16.290 -2.525 559 H LEU 65 HN LEU 65 209.546 9.721 -1.310 560 HA LEU 65 HA LEU 65 207.971 11.979 -0.544 561 1HB LEU 65 HB2 LEU 65 206.571 11.225 -2.095 562 2HB LEU 65 HB1 LEU 65 207.757 9.979 -2.436 563 HG LEU 65 HG LEU 65 206.602 8.605 -0.656 564 1HD1 LEU 65 HD11 LEU 65 205.218 10.939 -0.205 565 2HD1 LEU 65 HD12 LEU 65 204.744 9.339 0.364 566 3HD1 LEU 65 HD13 LEU 65 204.071 9.975 -1.135 567 1HD2 LEU 65 HD21 LEU 65 206.429 8.333 -3.156 568 2HD2 LEU 65 HD22 LEU 65 204.924 9.247 -3.070 569 3HD2 LEU 65 HD23 LEU 65 205.068 7.704 -2.229 570 H ILE 66 HN ILE 66 208.310 8.653 0.592 571 HA ILE 66 HA ILE 66 206.336 8.894 2.633 572 HB ILE 66 HB ILE 66 208.584 6.914 2.254 573 1HG1 ILE 66 HG12 ILE 66 206.920 6.744 0.518 574 2HG1 ILE 66 HG11 ILE 66 206.711 5.388 1.623 575 1HG2 ILE 66 HG21 ILE 66 206.655 7.259 4.459 576 2HG2 ILE 66 HG22 ILE 66 208.259 6.523 4.454 577 3HG2 ILE 66 HG23 ILE 66 206.869 5.614 3.863 578 1HD1 ILE 66 HD11 ILE 66 205.075 7.543 2.505 579 2HD1 ILE 66 HD12 ILE 66 204.598 5.949 1.927 580 3HD1 ILE 66 HD13 ILE 66 204.801 7.276 0.785 581 H ARG 67 HN ARG 67 209.820 9.355 2.448 582 HA ARG 67 HA ARG 67 210.480 9.460 5.129 583 1HB ARG 67 HB2 ARG 67 211.726 10.170 2.675 584 2HB ARG 67 HB1 ARG 67 211.891 11.551 3.756 585 1HG ARG 67 HG2 ARG 67 213.328 10.490 5.113 586 2HG ARG 67 HG1 ARG 67 212.469 8.956 4.997 587 1HD ARG 67 HD2 ARG 67 213.463 8.560 2.805 588 2HD ARG 67 HD1 ARG 67 214.304 10.111 2.904 589 HE ARG 67 HE ARG 67 215.138 8.824 5.125 590 1HH1 ARG 67 HH11 ARG 67 215.037 7.923 1.756 591 2HH1 ARG 67 HH12 ARG 67 216.422 6.887 1.862 592 1HH2 ARG 67 HH21 ARG 67 216.960 7.463 5.267 593 2HH2 ARG 67 HH22 ARG 67 217.513 6.626 3.855 594 H LYS 68 HN LYS 68 208.815 11.840 3.166 595 HA LYS 68 HA LYS 68 208.992 13.947 5.102 596 1HB LYS 68 HB2 LYS 68 207.028 13.649 2.829 597 2HB LYS 68 HB1 LYS 68 207.424 15.129 3.692 598 1HG LYS 68 HG2 LYS 68 209.294 15.477 2.505 599 2HG LYS 68 HG1 LYS 68 209.710 13.762 2.465 600 1HD LYS 68 HD2 LYS 68 208.045 13.388 0.726 601 2HD LYS 68 HD1 LYS 68 207.588 15.090 0.783 602 1HE LYS 68 HE2 LYS 68 210.387 14.174 0.176 603 2HE LYS 68 HE1 LYS 68 209.166 14.402 -1.077 604 1HZ LYS 68 HZ1 LYS 68 209.213 16.679 0.570 605 2HZ LYS 68 HZ2 LYS 68 209.597 16.561 -1.072 606 3HZ LYS 68 HZ3 LYS 68 210.799 16.335 0.095 607 H ARG 69 HN ARG 69 206.510 11.608 4.137 608 HA ARG 69 HA ARG 69 204.432 12.438 5.775 609 1HB ARG 69 HB2 ARG 69 205.143 9.572 5.136 610 2HB ARG 69 HB1 ARG 69 203.559 10.188 5.589 611 1HG ARG 69 HG2 ARG 69 204.669 11.544 3.271 612 2HG ARG 69 HG1 ARG 69 204.480 9.805 3.029 613 1HD ARG 69 HD2 ARG 69 202.239 9.920 3.040 614 2HD ARG 69 HD1 ARG 69 202.207 11.122 4.330 615 HE ARG 69 HE ARG 69 203.103 12.144 1.792 616 1HH1 ARG 69 HH11 ARG 69 200.331 11.511 3.817 617 2HH1 ARG 69 HH12 ARG 69 199.333 12.686 3.032 618 1HH2 ARG 69 HH21 ARG 69 201.790 13.690 0.758 619 2HH2 ARG 69 HH22 ARG 69 200.159 13.923 1.295 620 H ILE 70 HN ILE 70 207.408 10.912 6.604 621 HA ILE 70 HA ILE 70 206.462 10.399 9.338 622 HB ILE 70 HB ILE 70 209.039 9.354 9.184 623 1HG1 ILE 70 HG12 ILE 70 207.532 8.446 6.732 624 2HG1 ILE 70 HG11 ILE 70 208.792 9.674 6.669 625 1HG2 ILE 70 HG21 ILE 70 206.823 7.509 8.606 626 2HG2 ILE 70 HG22 ILE 70 206.613 8.546 10.017 627 3HG2 ILE 70 HG23 ILE 70 208.017 7.485 9.902 628 1HD1 ILE 70 HD11 ILE 70 210.414 8.166 6.778 629 2HD1 ILE 70 HD12 ILE 70 209.164 6.989 6.375 630 3HD1 ILE 70 HD13 ILE 70 209.614 7.256 8.059 631 H HIS 71 HN HIS 71 208.284 12.555 7.488 632 HA HIS 71 HA HIS 71 209.403 14.443 8.036 633 1HB HIS 71 HB2 HIS 71 208.956 13.669 10.925 634 2HB HIS 71 HB1 HIS 71 209.501 15.234 10.337 635 HD1 HIS 71 HD1 HIS 71 206.436 13.014 10.287 636 HD2 HIS 71 HD2 HIS 71 207.508 16.977 9.646 637 HE1 HIS 71 HE1 HIS 71 204.270 14.264 10.034 638 HE2 HIS 71 HE2 HIS 71 204.941 16.670 9.710 639 H LEU 72 HN LEU 72 210.819 12.521 7.172 640 HA LEU 72 HA LEU 72 213.184 12.360 8.925 641 1HB LEU 72 HB2 LEU 72 212.196 10.403 6.862 642 2HB LEU 72 HB1 LEU 72 213.773 10.305 7.623 643 HG LEU 72 HG LEU 72 211.117 10.095 9.048 644 1HD1 LEU 72 HD11 LEU 72 213.036 7.857 8.992 645 2HD1 LEU 72 HD12 LEU 72 212.197 8.206 7.480 646 3HD1 LEU 72 HD13 LEU 72 211.274 7.848 8.939 647 1HD2 LEU 72 HD21 LEU 72 212.905 11.110 10.414 648 2HD2 LEU 72 HD22 LEU 72 213.913 9.697 10.105 649 3HD2 LEU 72 HD23 LEU 72 212.409 9.527 11.009 650 H ARG 73 HN ARG 73 214.748 13.678 8.221 651 HA ARG 73 HA ARG 73 214.804 14.622 5.522 652 1HB ARG 73 HB2 ARG 73 217.246 15.331 6.339 653 2HB ARG 73 HB1 ARG 73 215.810 16.231 6.793 654 1HG ARG 73 HG2 ARG 73 217.332 15.879 8.671 655 2HG ARG 73 HG1 ARG 73 215.757 15.133 8.945 656 1HD ARG 73 HD2 ARG 73 216.603 13.031 8.892 657 2HD ARG 73 HD1 ARG 73 217.828 13.442 7.694 658 HE ARG 73 HE ARG 73 219.288 13.694 9.412 659 1HH1 ARG 73 HH11 ARG 73 216.077 14.270 10.657 660 2HH1 ARG 73 HH12 ARG 73 216.620 14.521 12.282 661 1HH2 ARG 73 HH21 ARG 73 219.999 14.021 11.545 662 2HH2 ARG 73 HH22 ARG 73 218.847 14.380 12.787 663 H ALA 74 HN ALA 74 216.726 14.303 4.092 664 HA ALA 74 HA ALA 74 217.053 11.702 3.343 665 1HB ALA 74 HB1 ALA 74 217.878 13.982 2.298 666 2HB ALA 74 HB2 ALA 74 218.601 12.440 1.838 667 3HB ALA 74 HB3 ALA 74 219.409 13.477 3.020 668 H GLU 75 HN GLU 75 218.828 13.436 5.797 669 HA GLU 75 HA GLU 75 220.912 11.535 6.097 670 1HB GLU 75 HB2 GLU 75 219.952 13.928 7.527 671 2HB GLU 75 HB1 GLU 75 220.947 12.802 8.442 672 1HG GLU 75 HG2 GLU 75 222.465 12.974 6.294 673 2HG GLU 75 HG1 GLU 75 221.642 14.524 6.140 674 H ASP 76 HN ASP 76 217.674 11.677 7.204 675 HA ASP 76 HA ASP 76 218.002 9.963 9.484 676 1HB ASP 76 HB2 ASP 76 215.821 11.404 8.204 677 2HB ASP 76 HB1 ASP 76 215.339 9.803 8.751 678 H ALA 77 HN ALA 77 217.049 7.852 9.683 679 HA ALA 77 HA ALA 77 217.612 6.243 7.332 680 1HB ALA 77 HB1 ALA 77 218.625 5.516 9.384 681 2HB ALA 77 HB2 ALA 77 217.420 4.329 8.883 682 3HB ALA 77 HB3 ALA 77 217.054 5.460 10.186 683 H LEU 78 HN LEU 78 216.200 5.001 6.276 684 HA LEU 78 HA LEU 78 213.544 4.449 7.178 685 1HB LEU 78 HB2 LEU 78 213.161 6.738 6.492 686 2HB LEU 78 HB1 LEU 78 213.943 6.448 4.949 687 HG LEU 78 HG LEU 78 212.116 4.811 4.416 688 1HD1 LEU 78 HD11 LEU 78 211.110 5.830 7.044 689 2HD1 LEU 78 HD12 LEU 78 211.229 4.169 6.462 690 3HD1 LEU 78 HD13 LEU 78 209.998 5.249 5.805 691 1HD2 LEU 78 HD21 LEU 78 212.177 7.230 3.689 692 2HD2 LEU 78 HD22 LEU 78 211.050 7.560 5.004 693 3HD2 LEU 78 HD23 LEU 78 210.588 6.465 3.701 694 H PHE 79 HN PHE 79 213.405 2.404 6.535 695 HA PHE 79 HA PHE 79 214.273 1.735 3.800 696 1HB PHE 79 HB2 PHE 79 214.384 -0.085 6.216 697 2HB PHE 79 HB1 PHE 79 214.923 -0.480 4.589 698 HD1 PHE 79 HD1 PHE 79 217.102 -0.014 3.908 699 HD2 PHE 79 HD2 PHE 79 215.580 1.775 7.457 700 HE1 PHE 79 HE1 PHE 79 219.356 0.808 4.455 701 HE2 PHE 79 HE2 PHE 79 217.831 2.602 8.008 702 HZ PHE 79 HZ PHE 79 219.722 2.120 6.506 703 H PHE 80 HN PHE 80 212.832 0.695 2.542 704 HA PHE 80 HA PHE 80 210.170 0.313 3.601 705 1HB PHE 80 HB2 PHE 80 211.329 0.187 0.824 706 2HB PHE 80 HB1 PHE 80 209.676 -0.313 1.162 707 HD1 PHE 80 HD1 PHE 80 210.710 1.957 -0.653 708 HD2 PHE 80 HD2 PHE 80 209.248 1.870 3.343 709 HE1 PHE 80 HE1 PHE 80 209.972 4.293 -0.873 710 HE2 PHE 80 HE2 PHE 80 208.510 4.204 3.130 711 HZ PHE 80 HZ PHE 80 208.869 5.417 1.020 712 H PHE 81 HN PHE 81 208.989 -1.635 3.471 713 HA PHE 81 HA PHE 81 210.528 -4.059 2.954 714 1HB PHE 81 HB2 PHE 81 209.037 -3.554 5.534 715 2HB PHE 81 HB1 PHE 81 209.814 -5.069 5.078 716 HD1 PHE 81 HD1 PHE 81 210.367 -1.600 6.119 717 HD2 PHE 81 HD2 PHE 81 212.197 -5.321 5.163 718 HE1 PHE 81 HE1 PHE 81 212.490 -0.797 7.071 719 HE2 PHE 81 HE2 PHE 81 214.318 -4.528 6.117 720 HZ PHE 81 HZ PHE 81 214.475 -2.260 7.067 721 H VAL 82 HN VAL 82 209.335 -4.709 1.257 722 HA VAL 82 HA VAL 82 206.426 -4.891 1.558 723 HB VAL 82 HB VAL 82 207.936 -5.468 -0.944 724 1HG1 VAL 82 HG11 VAL 82 205.813 -6.194 -1.328 725 2HG1 VAL 82 HG12 VAL 82 205.641 -4.504 -1.802 726 3HG1 VAL 82 HG13 VAL 82 205.104 -5.030 -0.207 727 1HG2 VAL 82 HG21 VAL 82 206.785 -2.787 -0.248 728 2HG2 VAL 82 HG22 VAL 82 207.744 -3.214 -1.663 729 3HG2 VAL 82 HG23 VAL 82 208.493 -3.184 -0.067 730 H ASN 83 HN ASN 83 205.573 -6.784 2.130 731 HA ASN 83 HA ASN 83 205.308 -9.018 2.481 732 1HB ASN 83 HB2 ASN 83 207.197 -9.215 0.122 733 2HB ASN 83 HB1 ASN 83 206.358 -10.587 0.837 734 1HD2 ASN 83 HD21 ASN 83 205.584 -10.754 -1.417 735 2HD2 ASN 83 HD22 ASN 83 204.159 -9.876 -1.850 736 H ASN 84 HN ASN 84 207.445 -7.413 3.736 737 HA ASN 84 HA ASN 84 208.921 -7.792 5.429 738 1HB ASN 84 HB2 ASN 84 207.715 -10.145 5.427 739 2HB ASN 84 HB1 ASN 84 209.251 -10.685 4.755 740 1HD2 ASN 84 HD21 ASN 84 207.599 -10.447 7.518 741 2HD2 ASN 84 HD22 ASN 84 208.897 -10.292 8.649 742 H VAL 85 HN VAL 85 209.584 -7.328 2.520 743 HA VAL 85 HA VAL 85 212.435 -8.012 2.744 744 HB VAL 85 HB VAL 85 210.997 -8.024 0.117 745 1HG1 VAL 85 HG11 VAL 85 213.726 -8.658 1.074 746 2HG1 VAL 85 HG12 VAL 85 213.199 -7.895 -0.427 747 3HG1 VAL 85 HG13 VAL 85 213.077 -9.645 -0.235 748 1HG2 VAL 85 HG21 VAL 85 210.038 -9.747 1.656 749 2HG2 VAL 85 HG22 VAL 85 211.640 -10.480 1.736 750 3HG2 VAL 85 HG23 VAL 85 210.782 -10.401 0.196 751 H ILE 86 HN ILE 86 213.862 -6.527 1.848 752 HA ILE 86 HA ILE 86 212.817 -3.837 1.587 753 HB ILE 86 HB ILE 86 215.652 -4.871 1.605 754 1HG1 ILE 86 HG12 ILE 86 213.775 -3.767 3.651 755 2HG1 ILE 86 HG11 ILE 86 214.916 -5.101 3.784 756 1HG2 ILE 86 HG21 ILE 86 214.662 -2.018 1.598 757 2HG2 ILE 86 HG22 ILE 86 215.484 -2.830 0.265 758 3HG2 ILE 86 HG23 ILE 86 216.340 -2.530 1.776 759 1HD1 ILE 86 HD11 ILE 86 215.587 -3.218 5.151 760 2HD1 ILE 86 HD12 ILE 86 215.612 -2.180 3.728 761 3HD1 ILE 86 HD13 ILE 86 216.757 -3.514 3.867 762 HA PRO 87 HA PRO 87 212.754 -4.474 -2.893 763 1HB PRO 87 HB2 PRO 87 211.640 -2.054 -3.481 764 2HB PRO 87 HB1 PRO 87 210.700 -3.456 -2.959 765 1HG PRO 87 HG2 PRO 87 211.653 -1.112 -1.361 766 2HG PRO 87 HG1 PRO 87 210.077 -1.925 -1.326 767 1HD PRO 87 HD2 PRO 87 211.975 -2.383 0.539 768 2HD PRO 87 HD1 PRO 87 210.857 -3.652 -0.003 769 HA PRO 88 HA PRO 88 216.447 -2.308 -4.004 770 1HB PRO 88 HB2 PRO 88 215.659 -2.481 -6.815 771 2HB PRO 88 HB1 PRO 88 216.967 -3.314 -5.970 772 1HG PRO 88 HG2 PRO 88 214.765 -4.606 -6.859 773 2HG PRO 88 HG1 PRO 88 215.634 -5.102 -5.396 774 1HD PRO 88 HD2 PRO 88 213.114 -3.505 -5.653 775 2HD PRO 88 HD1 PRO 88 213.509 -4.817 -4.520 776 H THR 89 HN THR 89 216.917 -0.200 -4.044 777 HA THR 89 HA THR 89 215.036 1.821 -4.356 778 HB THR 89 HB THR 89 217.130 3.294 -4.738 779 HG1 THR 89 HG1 THR 89 218.391 1.415 -5.431 780 1HG2 THR 89 HG21 THR 89 217.308 1.653 -2.246 781 2HG2 THR 89 HG22 THR 89 215.978 2.779 -2.513 782 3HG2 THR 89 HG23 THR 89 217.639 3.370 -2.478 783 H SER 90 HN SER 90 216.837 0.088 -6.741 784 HA SER 90 HA SER 90 216.474 2.033 -8.834 785 1HB SER 90 HB2 SER 90 217.464 0.340 -10.297 786 2HB SER 90 HB1 SER 90 218.415 0.499 -8.820 787 HG SER 90 HG SER 90 217.574 -1.402 -8.077 788 H ALA 91 HN ALA 91 214.865 -0.887 -7.723 789 HA ALA 91 HA ALA 91 213.234 -1.404 -9.924 790 1HB ALA 91 HB1 ALA 91 213.503 -2.878 -7.933 791 2HB ALA 91 HB2 ALA 91 211.827 -2.652 -8.438 792 3HB ALA 91 HB3 ALA 91 212.452 -1.781 -7.037 793 H THR 92 HN THR 92 210.982 -0.930 -10.279 794 HA THR 92 HA THR 92 210.260 1.751 -9.314 795 HB THR 92 HB THR 92 208.730 1.716 -11.372 796 HG1 THR 92 HG1 THR 92 208.849 -0.466 -11.863 797 1HG2 THR 92 HG21 THR 92 210.933 2.936 -11.213 798 2HG2 THR 92 HG22 THR 92 210.378 2.517 -12.834 799 3HG2 THR 92 HG23 THR 92 211.643 1.562 -12.060 800 H MET 93 HN MET 93 208.194 2.201 -8.615 801 HA MET 93 HA MET 93 206.867 0.422 -7.012 802 1HB MET 93 HB2 MET 93 205.898 2.848 -8.495 803 2HB MET 93 HB1 MET 93 204.823 1.931 -7.450 804 1HG MET 93 HG2 MET 93 207.373 2.633 -6.220 805 2HG MET 93 HG1 MET 93 206.384 4.014 -6.685 806 1HE MET 93 HE1 MET 93 205.519 0.444 -5.587 807 2HE MET 93 HE2 MET 93 204.828 0.636 -3.975 808 3HE MET 93 HE3 MET 93 206.565 0.828 -4.218 809 H GLY 94 HN GLY 94 206.523 0.863 -10.465 810 1HA GLY 94 HA2 GLY 94 204.141 -0.618 -10.817 811 2HA GLY 94 HA1 GLY 94 205.354 -0.316 -12.053 812 H GLN 95 HN GLN 95 207.550 -1.555 -10.810 813 HA GLN 95 HA GLN 95 207.095 -4.246 -11.557 814 1HB GLN 95 HB2 GLN 95 209.416 -2.858 -10.231 815 2HB GLN 95 HB1 GLN 95 209.423 -4.582 -10.574 816 1HG GLN 95 HG2 GLN 95 208.944 -3.956 -12.983 817 2HG GLN 95 HG1 GLN 95 209.339 -2.301 -12.520 818 1HE2 GLN 95 HE21 GLN 95 211.395 -2.834 -10.711 819 2HE2 GLN 95 HE22 GLN 95 212.748 -3.458 -11.586 820 H LEU 96 HN LEU 96 207.533 -2.626 -8.432 821 HA LEU 96 HA LEU 96 207.498 -4.887 -6.799 822 1HB LEU 96 HB2 LEU 96 206.286 -2.195 -6.155 823 2HB LEU 96 HB1 LEU 96 206.787 -3.415 -4.999 824 HG LEU 96 HG LEU 96 208.606 -1.848 -6.825 825 1HD1 LEU 96 HD11 LEU 96 209.477 -0.991 -4.635 826 2HD1 LEU 96 HD12 LEU 96 208.079 -1.740 -3.863 827 3HD1 LEU 96 HD13 LEU 96 207.847 -0.456 -5.051 828 1HD2 LEU 96 HD21 LEU 96 209.442 -3.737 -4.644 829 2HD2 LEU 96 HD22 LEU 96 210.432 -3.014 -5.911 830 3HD2 LEU 96 HD23 LEU 96 209.253 -4.261 -6.317 831 H TYR 97 HN TYR 97 204.854 -2.954 -8.107 832 HA TYR 97 HA TYR 97 202.787 -4.359 -6.796 833 1HB TYR 97 HB2 TYR 97 202.379 -2.157 -7.742 834 2HB TYR 97 HB1 TYR 97 202.734 -2.759 -9.359 835 HD1 TYR 97 HD1 TYR 97 200.250 -2.563 -6.703 836 HD2 TYR 97 HD2 TYR 97 201.156 -4.255 -10.500 837 HE1 TYR 97 HE1 TYR 97 197.879 -3.140 -7.004 838 HE2 TYR 97 HE2 TYR 97 198.784 -4.834 -10.813 839 HH TYR 97 HH TYR 97 196.309 -3.669 -8.703 840 H GLN 98 HN GLN 98 204.004 -4.562 -10.133 841 HA GLN 98 HA GLN 98 202.418 -6.749 -10.886 842 1HB GLN 98 HB2 GLN 98 205.081 -5.834 -11.950 843 2HB GLN 98 HB1 GLN 98 204.019 -6.989 -12.744 844 1HG GLN 98 HG2 GLN 98 202.405 -4.786 -12.256 845 2HG GLN 98 HG1 GLN 98 203.951 -4.105 -12.756 846 1HE2 GLN 98 HE21 GLN 98 204.283 -3.912 -14.850 847 2HE2 GLN 98 HE22 GLN 98 203.441 -4.760 -16.097 848 H GLU 99 HN GLU 99 205.342 -6.587 -9.028 849 HA GLU 99 HA GLU 99 205.623 -9.511 -9.237 850 1HB GLU 99 HB2 GLU 99 207.659 -7.364 -8.723 851 2HB GLU 99 HB1 GLU 99 207.987 -9.067 -8.433 852 1HG GLU 99 HG2 GLU 99 206.968 -9.059 -10.980 853 2HG GLU 99 HG1 GLU 99 207.913 -7.571 -10.922 854 H HIS 100 HN HIS 100 204.326 -7.347 -7.130 855 HA HIS 100 HA HIS 100 204.696 -9.194 -4.934 856 1HB HIS 100 HB2 HIS 100 205.663 -6.344 -4.687 857 2HB HIS 100 HB1 HIS 100 205.461 -7.453 -3.338 858 HD1 HIS 100 HD1 HIS 100 207.286 -9.158 -2.935 859 HD2 HIS 100 HD2 HIS 100 207.828 -6.982 -6.435 860 HE1 HIS 100 HE1 HIS 100 209.611 -9.711 -3.718 861 HE2 HIS 100 HE2 HIS 100 209.946 -8.320 -5.792 862 H HIS 101 HN HIS 101 202.522 -7.591 -6.611 863 HA HIS 101 HA HIS 101 201.076 -6.208 -4.574 864 1HB HIS 101 HB2 HIS 101 199.340 -5.907 -6.146 865 2HB HIS 101 HB1 HIS 101 200.820 -5.846 -7.084 866 HD1 HIS 101 HD1 HIS 101 197.764 -7.912 -6.514 867 HD2 HIS 101 HD2 HIS 101 201.155 -7.970 -8.915 868 HE1 HIS 101 HE1 HIS 101 197.322 -9.665 -8.262 869 HE2 HIS 101 HE2 HIS 101 199.354 -9.623 -9.751 870 H GLU 102 HN GLU 102 200.379 -7.234 -2.849 871 HA GLU 102 HA GLU 102 199.843 -10.006 -2.730 872 1HB GLU 102 HB2 GLU 102 198.979 -7.871 -0.789 873 2HB GLU 102 HB1 GLU 102 199.119 -9.588 -0.455 874 1HG GLU 102 HG2 GLU 102 201.063 -8.862 0.457 875 2HG GLU 102 HG1 GLU 102 201.617 -9.176 -1.188 876 H GLU 103 HN GLU 103 198.306 -9.777 -4.706 877 HA GLU 103 HA GLU 103 196.204 -9.915 -5.578 878 1HB GLU 103 HB2 GLU 103 196.296 -11.440 -3.265 879 2HB GLU 103 HB1 GLU 103 194.834 -10.485 -3.067 880 1HG GLU 103 HG2 GLU 103 193.879 -11.352 -5.037 881 2HG GLU 103 HG1 GLU 103 195.414 -12.041 -5.566 882 H ASP 104 HN ASP 104 193.687 -9.384 -4.489 883 HA ASP 104 HA ASP 104 192.242 -7.622 -4.385 884 1HB ASP 104 HB2 ASP 104 193.419 -5.929 -2.482 885 2HB ASP 104 HB1 ASP 104 192.230 -7.191 -2.195 886 H PHE 105 HN PHE 105 194.537 -7.359 -6.258 887 HA PHE 105 HA PHE 105 195.599 -5.802 -7.552 888 1HB PHE 105 HB2 PHE 105 192.910 -4.504 -7.100 889 2HB PHE 105 HB1 PHE 105 194.065 -3.975 -8.319 890 HD1 PHE 105 HD1 PHE 105 191.175 -5.764 -7.905 891 HD2 PHE 105 HD2 PHE 105 195.001 -6.120 -9.738 892 HE1 PHE 105 HE1 PHE 105 190.263 -7.416 -9.482 893 HE2 PHE 105 HE2 PHE 105 194.094 -7.771 -11.319 894 HZ PHE 105 HZ PHE 105 191.722 -8.421 -11.193 895 H PHE 106 HN PHE 106 195.995 -5.473 -4.622 896 HA PHE 106 HA PHE 106 196.608 -2.598 -4.575 897 1HB PHE 106 HB2 PHE 106 195.376 -4.355 -2.587 898 2HB PHE 106 HB1 PHE 106 196.712 -3.404 -1.941 899 HD1 PHE 106 HD1 PHE 106 195.406 -1.994 -0.532 900 HD2 PHE 106 HD2 PHE 106 194.547 -2.301 -4.689 901 HE1 PHE 106 HE1 PHE 106 193.932 -0.026 -0.364 902 HE2 PHE 106 HE2 PHE 106 193.069 -0.325 -4.526 903 HZ PHE 106 HZ PHE 106 192.764 0.807 -2.364 904 H LEU 107 HN LEU 107 198.379 -2.198 -2.809 905 HA LEU 107 HA LEU 107 200.506 -4.181 -2.864 906 1HB LEU 107 HB2 LEU 107 200.670 -2.865 -4.964 907 2HB LEU 107 HB1 LEU 107 200.863 -1.411 -4.007 908 HG LEU 107 HG LEU 107 203.024 -1.992 -4.791 909 1HD1 LEU 107 HD11 LEU 107 202.900 -3.074 -1.983 910 2HD1 LEU 107 HD12 LEU 107 202.902 -1.362 -2.405 911 3HD1 LEU 107 HD13 LEU 107 204.290 -2.369 -2.804 912 1HD2 LEU 107 HD21 LEU 107 203.790 -4.082 -5.125 913 2HD2 LEU 107 HD22 LEU 107 202.094 -4.539 -4.973 914 3HD2 LEU 107 HD23 LEU 107 203.170 -4.673 -3.584 915 H TYR 108 HN TYR 108 200.199 -4.170 -0.557 916 HA TYR 108 HA TYR 108 200.640 -1.637 0.800 917 1HB TYR 108 HB2 TYR 108 200.413 -3.156 2.910 918 2HB TYR 108 HB1 TYR 108 198.994 -2.741 1.981 919 HD1 TYR 108 HD1 TYR 108 201.098 -5.435 3.169 920 HD2 TYR 108 HD2 TYR 108 197.974 -4.419 0.465 921 HE1 TYR 108 HE1 TYR 108 200.493 -7.806 2.989 922 HE2 TYR 108 HE2 TYR 108 197.362 -6.791 0.276 923 HH TYR 108 HH TYR 108 197.800 -8.952 2.100 924 H ILE 109 HN ILE 109 202.421 -0.926 1.494 925 HA ILE 109 HA ILE 109 204.786 -2.685 1.634 926 HB ILE 109 HB ILE 109 204.555 0.262 1.035 927 1HG1 ILE 109 HG12 ILE 109 204.778 -2.182 -0.666 928 2HG1 ILE 109 HG11 ILE 109 203.762 -0.763 -0.866 929 1HG2 ILE 109 HG21 ILE 109 206.653 -0.035 2.073 930 2HG2 ILE 109 HG22 ILE 109 206.989 -0.024 0.345 931 3HG2 ILE 109 HG23 ILE 109 206.950 -1.552 1.224 932 1HD1 ILE 109 HD11 ILE 109 205.343 -0.705 -2.600 933 2HD1 ILE 109 HD12 ILE 109 206.677 -1.054 -1.497 934 3HD1 ILE 109 HD13 ILE 109 205.860 0.509 -1.428 935 H ALA 110 HN ALA 110 206.512 -1.783 3.146 936 HA ALA 110 HA ALA 110 205.378 -0.388 5.473 937 1HB ALA 110 HB1 ALA 110 205.359 -2.657 6.167 938 2HB ALA 110 HB2 ALA 110 206.758 -1.904 6.931 939 3HB ALA 110 HB3 ALA 110 206.975 -2.937 5.519 940 H TYR 111 HN TYR 111 206.992 0.640 6.819 941 HA TYR 111 HA TYR 111 209.630 0.969 5.603 942 1HB TYR 111 HB2 TYR 111 209.511 3.354 5.521 943 2HB TYR 111 HB1 TYR 111 208.095 2.734 4.681 944 HD1 TYR 111 HD1 TYR 111 209.266 4.286 7.805 945 HD2 TYR 111 HD2 TYR 111 205.913 3.221 5.449 946 HE1 TYR 111 HE1 TYR 111 207.825 5.622 9.283 947 HE2 TYR 111 HE2 TYR 111 204.448 4.564 6.891 948 HH TYR 111 HH TYR 111 205.727 6.292 9.718 949 H SER 112 HN SER 112 211.186 0.992 7.091 950 HA SER 112 HA SER 112 210.507 1.737 9.864 951 1HB SER 112 HB2 SER 112 210.715 -0.473 10.313 952 2HB SER 112 HB1 SER 112 211.601 -0.803 8.827 953 HG SER 112 HG SER 112 212.566 0.082 11.320 954 H ASP 113 HN ASP 113 212.434 2.288 11.167 955 HA ASP 113 HA ASP 113 214.172 4.007 9.643 956 1HB ASP 113 HB2 ASP 113 214.953 4.817 11.784 957 2HB ASP 113 HB1 ASP 113 213.196 4.683 11.832 958 H GLU 114 HN GLU 114 214.263 0.780 10.329 959 HA GLU 114 HA GLU 114 217.214 0.722 10.282 960 1HB GLU 114 HB2 GLU 114 215.406 -1.421 11.406 961 2HB GLU 114 HB1 GLU 114 217.161 -1.361 11.493 962 1HG GLU 114 HG2 GLU 114 216.170 1.033 12.625 963 2HG GLU 114 HG1 GLU 114 215.245 -0.306 13.303 964 H SER 115 HN SER 115 217.976 -1.519 9.412 965 HA SER 115 HA SER 115 216.898 -1.731 6.746 966 1HB SER 115 HB2 SER 115 218.746 -3.386 6.400 967 2HB SER 115 HB1 SER 115 219.295 -1.808 6.968 968 HG SER 115 HG SER 115 219.576 -2.653 9.005 969 H VAL 116 HN VAL 116 215.816 -3.008 9.521 970 HA VAL 116 HA VAL 116 215.022 -5.540 8.275 971 HB VAL 116 HB VAL 116 214.233 -5.541 10.994 972 1HG1 VAL 116 HG11 VAL 116 216.260 -7.012 9.356 973 2HG1 VAL 116 HG12 VAL 116 214.727 -7.580 10.019 974 3HG1 VAL 116 HG13 VAL 116 216.108 -7.326 11.085 975 1HG2 VAL 116 HG21 VAL 116 215.770 -3.844 11.603 976 2HG2 VAL 116 HG22 VAL 116 217.054 -4.550 10.621 977 3HG2 VAL 116 HG23 VAL 116 216.508 -5.372 12.083 978 H TYR 117 HN TYR 117 212.784 -6.130 8.585 979 HA TYR 117 HA TYR 117 210.992 -4.056 8.000 980 1HB TYR 117 HB2 TYR 117 210.374 -6.231 7.292 981 2HB TYR 117 HB1 TYR 117 210.574 -6.902 8.909 982 HD1 TYR 117 HD1 TYR 117 208.524 -7.659 9.664 983 HD2 TYR 117 HD2 TYR 117 208.722 -3.930 7.636 984 HE1 TYR 117 HE1 TYR 117 206.150 -7.285 10.136 985 HE2 TYR 117 HE2 TYR 117 206.344 -3.547 8.089 986 HH TYR 117 HH TYR 117 204.311 -4.940 8.587 987 H GLY 118 HN GLY 118 211.792 -2.645 9.835 988 1HA GLY 118 HA2 GLY 118 211.276 -1.517 11.768 989 2HA GLY 118 HA1 GLY 118 209.783 -2.447 11.814 990 H LEU 119 HN LEU 119 210.169 -4.815 12.403 991 HA LEU 119 HA LEU 119 210.601 -5.322 14.924 992 1HB LEU 119 HB2 LEU 119 211.522 -6.946 12.574 993 2HB LEU 119 HB1 LEU 119 211.626 -7.559 14.219 994 HG LEU 119 HG LEU 119 208.985 -6.492 13.639 995 1HD1 LEU 119 HD11 LEU 119 209.407 -9.030 12.189 996 2HD1 LEU 119 HD12 LEU 119 209.990 -7.565 11.399 997 3HD1 LEU 119 HD13 LEU 119 208.291 -7.703 11.859 998 1HD2 LEU 119 HD21 LEU 119 208.280 -8.582 14.609 999 2HD2 LEU 119 HD22 LEU 119 209.595 -7.890 15.562 1000 3HD2 LEU 119 HD23 LEU 119 209.913 -9.235 14.463 Start of MODEL 7 1 1H GLY 1 HT1 GLY 1 208.020 -14.895 7.074 2 2H GLY 1 HT2 GLY 1 207.576 -15.265 5.484 3 3H GLY 1 HT3 GLY 1 206.708 -15.921 6.778 4 1HA GLY 1 HA1 GLY 1 206.834 -13.051 6.028 5 2HA GLY 1 HA2 GLY 1 205.463 -14.123 5.778 6 H SER 2 HN SER 2 205.991 -11.603 7.433 7 HA SER 2 HA SER 2 204.273 -12.274 9.581 8 1HB SER 2 HB2 SER 2 207.197 -12.284 10.089 9 2HB SER 2 HB1 SER 2 206.193 -11.452 11.279 10 HG SER 2 HG SER 2 206.631 -13.988 11.189 11 H MET 3 HN MET 3 203.358 -10.466 8.313 12 HA MET 3 HA MET 3 204.521 -7.878 9.072 13 1HB MET 3 HB2 MET 3 202.758 -8.677 6.768 14 2HB MET 3 HB1 MET 3 202.966 -6.995 7.239 15 1HG MET 3 HG2 MET 3 205.526 -7.663 7.059 16 2HG MET 3 HG1 MET 3 204.865 -8.853 5.938 17 1HE MET 3 HE1 MET 3 206.416 -5.610 6.286 18 2HE MET 3 HE2 MET 3 204.865 -4.885 6.722 19 3HE MET 3 HE3 MET 3 205.624 -4.486 5.182 20 H LYS 4 HN LYS 4 203.200 -6.242 9.917 21 HA LYS 4 HA LYS 4 200.602 -7.167 10.956 22 1HB LYS 4 HB2 LYS 4 202.765 -5.560 12.299 23 2HB LYS 4 HB1 LYS 4 201.106 -5.545 12.880 24 1HG LYS 4 HG2 LYS 4 202.094 -7.160 14.197 25 2HG LYS 4 HG1 LYS 4 201.344 -8.117 12.919 26 1HD LYS 4 HD2 LYS 4 203.333 -8.756 12.047 27 2HD LYS 4 HD1 LYS 4 204.107 -7.212 12.408 28 1HE LYS 4 HE2 LYS 4 203.498 -8.466 14.875 29 2HE LYS 4 HE1 LYS 4 204.262 -9.672 13.839 30 1HZ LYS 4 HZ1 LYS 4 205.355 -7.002 14.541 31 2HZ LYS 4 HZ2 LYS 4 206.073 -8.076 13.449 32 3HZ LYS 4 HZ3 LYS 4 205.928 -8.500 15.081 33 H PHE 5 HN PHE 5 199.036 -6.121 9.925 34 HA PHE 5 HA PHE 5 199.346 -3.225 9.471 35 1HB PHE 5 HB2 PHE 5 198.247 -5.342 7.636 36 2HB PHE 5 HB1 PHE 5 197.767 -3.657 7.470 37 HD1 PHE 5 HD1 PHE 5 198.878 -2.481 5.861 38 HD2 PHE 5 HD2 PHE 5 200.945 -5.564 7.941 39 HE1 PHE 5 HE1 PHE 5 200.888 -2.041 4.510 40 HE2 PHE 5 HE2 PHE 5 202.957 -5.127 6.595 41 HZ PHE 5 HZ PHE 5 202.929 -3.367 4.876 42 H VAL 6 HN VAL 6 197.163 -2.143 9.123 43 HA VAL 6 HA VAL 6 195.029 -3.450 10.646 44 HB VAL 6 HB VAL 6 196.247 -1.988 12.220 45 1HG1 VAL 6 HG11 VAL 6 196.991 -0.315 10.549 46 2HG1 VAL 6 HG12 VAL 6 196.267 0.397 11.990 47 3HG1 VAL 6 HG13 VAL 6 195.340 0.305 10.493 48 1HG2 VAL 6 HG21 VAL 6 194.352 -1.296 13.272 49 2HG2 VAL 6 HG22 VAL 6 193.622 -2.330 12.043 50 3HG2 VAL 6 HG23 VAL 6 193.669 -0.582 11.810 51 H TYR 7 HN TYR 7 195.926 -0.665 8.630 52 HA TYR 7 HA TYR 7 193.231 -0.085 7.873 53 1HB TYR 7 HB2 TYR 7 195.243 1.508 7.774 54 2HB TYR 7 HB1 TYR 7 195.678 0.678 6.283 55 HD1 TYR 7 HD1 TYR 7 194.755 1.366 4.253 56 HD2 TYR 7 HD2 TYR 7 192.881 2.537 7.891 57 HE1 TYR 7 HE1 TYR 7 193.234 2.831 2.993 58 HE2 TYR 7 HE2 TYR 7 191.356 4.003 6.639 59 HH TYR 7 HH TYR 7 190.442 4.110 4.259 60 H LYS 8 HN LYS 8 195.978 -1.556 6.163 61 HA LYS 8 HA LYS 8 194.409 -2.448 3.959 62 1HB LYS 8 HB2 LYS 8 196.760 -2.088 3.613 63 2HB LYS 8 HB1 LYS 8 197.185 -3.164 4.932 64 1HG LYS 8 HG2 LYS 8 197.611 -4.521 3.157 65 2HG LYS 8 HG1 LYS 8 195.924 -4.940 3.448 66 1HD LYS 8 HD2 LYS 8 195.487 -2.956 1.777 67 2HD LYS 8 HD1 LYS 8 197.134 -3.321 1.259 68 1HE LYS 8 HE2 LYS 8 195.260 -5.598 1.567 69 2HE LYS 8 HE1 LYS 8 194.997 -4.513 0.203 70 1HZ LYS 8 HZ1 LYS 8 197.471 -4.859 -0.244 71 2HZ LYS 8 HZ2 LYS 8 196.421 -6.131 -0.620 72 3HZ LYS 8 HZ3 LYS 8 197.352 -6.192 0.791 73 H GLU 9 HN GLU 9 195.143 -3.646 7.113 74 HA GLU 9 HA GLU 9 194.433 -6.366 6.594 75 1HB GLU 9 HB2 GLU 9 195.334 -4.786 8.910 76 2HB GLU 9 HB1 GLU 9 194.278 -6.138 9.293 77 1HG GLU 9 HG2 GLU 9 196.645 -6.528 7.514 78 2HG GLU 9 HG1 GLU 9 196.835 -6.488 9.267 79 H GLU 10 HN GLU 10 192.898 -3.552 8.073 80 HA GLU 10 HA GLU 10 190.514 -4.882 8.845 81 1HB GLU 10 HB2 GLU 10 191.296 -2.003 8.508 82 2HB GLU 10 HB1 GLU 10 189.618 -2.435 8.805 83 1HG GLU 10 HG2 GLU 10 190.198 -3.476 10.890 84 2HG GLU 10 HG1 GLU 10 191.914 -3.222 10.582 85 H HIS 11 HN HIS 11 191.078 -2.524 6.220 86 HA HIS 11 HA HIS 11 188.652 -2.703 4.934 87 1HB HIS 11 HB2 HIS 11 191.432 -2.231 3.891 88 2HB HIS 11 HB1 HIS 11 190.046 -2.238 2.805 89 HD1 HIS 11 HD1 HIS 11 188.969 -0.036 2.487 90 HD2 HIS 11 HD2 HIS 11 191.033 -0.240 6.088 91 HE1 HIS 11 HE1 HIS 11 188.787 2.260 3.497 92 HE2 HIS 11 HE2 HIS 11 190.022 2.107 5.688 93 HA PRO 12 HA PRO 12 188.609 -7.207 4.149 94 1HB PRO 12 HB2 PRO 12 186.386 -6.609 2.410 95 2HB PRO 12 HB1 PRO 12 186.386 -7.490 3.937 96 1HG PRO 12 HG2 PRO 12 185.624 -4.732 3.402 97 2HG PRO 12 HG1 PRO 12 185.340 -5.707 4.850 98 1HD PRO 12 HD2 PRO 12 187.070 -3.584 4.743 99 2HD PRO 12 HD1 PRO 12 187.222 -4.934 5.883 100 H PHE 13 HN PHE 13 188.389 -8.472 2.061 101 HA PHE 13 HA PHE 13 190.321 -7.594 0.241 102 1HB PHE 13 HB2 PHE 13 189.487 -10.001 0.708 103 2HB PHE 13 HB1 PHE 13 188.247 -9.642 -0.487 104 HD1 PHE 13 HD1 PHE 13 189.516 -8.250 -2.594 105 HD2 PHE 13 HD2 PHE 13 191.103 -11.366 -0.167 106 HE1 PHE 13 HE1 PHE 13 191.090 -8.836 -4.384 107 HE2 PHE 13 HE2 PHE 13 192.679 -11.959 -1.962 108 HZ PHE 13 HZ PHE 13 192.672 -10.689 -4.074 109 H GLU 14 HN GLU 14 186.793 -7.829 -0.128 110 HA GLU 14 HA GLU 14 186.505 -6.877 -2.683 111 1HB GLU 14 HB2 GLU 14 184.820 -6.712 -0.228 112 2HB GLU 14 HB1 GLU 14 184.350 -5.740 -1.616 113 1HG GLU 14 HG2 GLU 14 183.213 -7.566 -2.217 114 2HG GLU 14 HG1 GLU 14 184.777 -8.134 -2.798 115 H LYS 15 HN LYS 15 187.484 -5.132 0.144 116 HA LYS 15 HA LYS 15 186.995 -2.525 -0.978 117 1HB LYS 15 HB2 LYS 15 188.681 -3.210 1.431 118 2HB LYS 15 HB1 LYS 15 187.928 -1.667 1.052 119 1HG LYS 15 HG2 LYS 15 186.114 -3.974 1.272 120 2HG LYS 15 HG1 LYS 15 186.907 -3.451 2.753 121 1HD LYS 15 HD2 LYS 15 185.281 -1.714 0.910 122 2HD LYS 15 HD1 LYS 15 184.756 -2.352 2.472 123 1HE LYS 15 HE2 LYS 15 185.690 -0.638 3.529 124 2HE LYS 15 HE1 LYS 15 187.254 -1.007 2.803 125 1HZ LYS 15 HZ1 LYS 15 185.129 0.597 1.489 126 2HZ LYS 15 HZ2 LYS 15 186.694 0.330 0.909 127 3HZ LYS 15 HZ3 LYS 15 186.458 1.253 2.305 128 H ARG 16 HN ARG 16 190.018 -4.056 0.166 129 HA ARG 16 HA ARG 16 191.755 -2.301 -1.082 130 1HB ARG 16 HB2 ARG 16 193.387 -4.290 -1.051 131 2HB ARG 16 HB1 ARG 16 192.752 -3.711 0.481 132 1HG ARG 16 HG2 ARG 16 191.175 -5.541 0.560 133 2HG ARG 16 HG1 ARG 16 191.702 -6.095 -1.029 134 1HD ARG 16 HD2 ARG 16 194.000 -6.358 -0.074 135 2HD ARG 16 HD1 ARG 16 193.315 -6.009 1.510 136 HE ARG 16 HE ARG 16 192.088 -8.201 0.069 137 1HH1 ARG 16 HH11 ARG 16 194.485 -7.225 2.415 138 2HH1 ARG 16 HH12 ARG 16 194.574 -8.786 3.157 139 1HH2 ARG 16 HH21 ARG 16 192.209 -10.255 1.049 140 2HH2 ARG 16 HH22 ARG 16 193.285 -10.506 2.381 141 H ARG 17 HN ARG 17 189.890 -4.870 -2.462 142 HA ARG 17 HA ARG 17 191.435 -4.922 -4.919 143 1HB ARG 17 HB2 ARG 17 190.338 -6.970 -3.974 144 2HB ARG 17 HB1 ARG 17 188.781 -6.243 -4.346 145 1HG ARG 17 HG2 ARG 17 189.298 -6.238 -6.703 146 2HG ARG 17 HG1 ARG 17 190.921 -6.847 -6.376 147 1HD ARG 17 HD2 ARG 17 190.209 -8.961 -6.077 148 2HD ARG 17 HD1 ARG 17 188.739 -8.450 -5.244 149 HE ARG 17 HE ARG 17 187.618 -8.491 -7.247 150 1HH1 ARG 17 HH11 ARG 17 191.051 -8.706 -7.847 151 2HH1 ARG 17 HH12 ARG 17 190.860 -9.080 -9.527 152 1HH2 ARG 17 HH21 ARG 17 187.367 -8.981 -9.458 153 2HH2 ARG 17 HH22 ARG 17 188.770 -9.236 -10.441 154 H SER 18 HN SER 18 188.072 -4.150 -4.023 155 HA SER 18 HA SER 18 187.066 -3.177 -6.340 156 1HB SER 18 HB2 SER 18 185.628 -3.180 -4.458 157 2HB SER 18 HB1 SER 18 186.710 -2.145 -3.525 158 HG SER 18 HG SER 18 185.349 -1.341 -5.883 159 H GLU 19 HN GLU 19 189.213 -1.440 -4.137 160 HA GLU 19 HA GLU 19 189.206 0.992 -5.623 161 1HB GLU 19 HB2 GLU 19 190.458 -0.051 -3.215 162 2HB GLU 19 HB1 GLU 19 191.554 0.955 -4.149 163 1HG GLU 19 HG2 GLU 19 190.464 2.831 -3.642 164 2HG GLU 19 HG1 GLU 19 188.880 2.080 -3.832 165 H GLY 20 HN GLY 20 191.481 -1.717 -5.336 166 1HA GLY 20 HA2 GLY 20 193.444 -0.699 -7.067 167 2HA GLY 20 HA1 GLY 20 193.211 -2.397 -6.679 168 H GLU 21 HN GLU 21 190.847 -3.050 -7.751 169 HA GLU 21 HA GLU 21 191.374 -3.452 -10.425 170 1HB GLU 21 HB2 GLU 21 189.799 -4.877 -9.494 171 2HB GLU 21 HB1 GLU 21 188.872 -3.562 -8.786 172 1HG GLU 21 HG2 GLU 21 187.674 -3.223 -10.653 173 2HG GLU 21 HG1 GLU 21 189.026 -3.591 -11.720 174 H LYS 22 HN LYS 22 190.027 -0.660 -8.877 175 HA LYS 22 HA LYS 22 189.080 0.427 -11.409 176 1HB LYS 22 HB2 LYS 22 187.541 0.949 -9.762 177 2HB LYS 22 HB1 LYS 22 188.774 1.190 -8.533 178 1HG LYS 22 HG2 LYS 22 188.760 3.100 -10.790 179 2HG LYS 22 HG1 LYS 22 187.409 3.190 -9.658 180 1HD LYS 22 HD2 LYS 22 189.828 2.919 -8.170 181 2HD LYS 22 HD1 LYS 22 190.038 4.211 -9.354 182 1HE LYS 22 HE2 LYS 22 189.160 5.293 -7.480 183 2HE LYS 22 HE1 LYS 22 187.767 5.069 -8.538 184 1HZ LYS 22 HZ1 LYS 22 187.034 3.239 -7.236 185 2HZ LYS 22 HZ2 LYS 22 187.371 4.503 -6.164 186 3HZ LYS 22 HZ3 LYS 22 188.460 3.218 -6.325 187 H ILE 23 HN ILE 23 191.361 1.263 -8.826 188 HA ILE 23 HA ILE 23 192.489 3.526 -10.017 189 HB ILE 23 HB ILE 23 193.525 1.517 -8.036 190 1HG1 ILE 23 HG12 ILE 23 193.083 4.432 -7.539 191 2HG1 ILE 23 HG11 ILE 23 191.696 3.354 -7.644 192 1HG2 ILE 23 HG21 ILE 23 195.525 2.644 -7.698 193 2HG2 ILE 23 HG22 ILE 23 194.980 4.074 -8.567 194 3HG2 ILE 23 HG23 ILE 23 195.387 2.607 -9.453 195 1HD1 ILE 23 HD11 ILE 23 192.014 2.666 -5.573 196 2HD1 ILE 23 HD12 ILE 23 193.287 3.878 -5.418 197 3HD1 ILE 23 HD13 ILE 23 193.689 2.235 -5.918 198 H ARG 24 HN ARG 24 192.909 0.145 -10.659 199 HA ARG 24 HA ARG 24 195.364 0.451 -12.137 200 1HB ARG 24 HB2 ARG 24 193.423 -1.840 -11.809 201 2HB ARG 24 HB1 ARG 24 194.886 -1.946 -12.781 202 1HG ARG 24 HG2 ARG 24 194.773 -1.372 -9.827 203 2HG ARG 24 HG1 ARG 24 195.206 -2.913 -10.568 204 1HD ARG 24 HD2 ARG 24 196.688 -0.317 -10.959 205 2HD ARG 24 HD1 ARG 24 197.169 -1.600 -9.852 206 HE ARG 24 HE ARG 24 197.016 -2.892 -12.207 207 1HH1 ARG 24 HH11 ARG 24 198.604 0.069 -11.257 208 2HH1 ARG 24 HH12 ARG 24 199.876 -0.095 -12.420 209 1HH2 ARG 24 HH21 ARG 24 198.688 -3.107 -13.736 210 2HH2 ARG 24 HH22 ARG 24 199.924 -1.896 -13.827 211 H LYS 25 HN LYS 25 191.940 -0.019 -12.852 212 HA LYS 25 HA LYS 25 192.264 -0.090 -15.684 213 1HB LYS 25 HB2 LYS 25 189.861 0.417 -13.935 214 2HB LYS 25 HB1 LYS 25 189.790 0.148 -15.676 215 1HG LYS 25 HG2 LYS 25 190.619 -2.085 -15.424 216 2HG LYS 25 HG1 LYS 25 190.931 -1.819 -13.705 217 1HD LYS 25 HD2 LYS 25 188.890 -3.090 -13.969 218 2HD LYS 25 HD1 LYS 25 188.502 -1.480 -13.361 219 1HE LYS 25 HE2 LYS 25 188.426 -1.211 -16.123 220 2HE LYS 25 HE1 LYS 25 187.687 -2.783 -15.819 221 1HZ LYS 25 HZ1 LYS 25 185.946 -1.859 -14.724 222 2HZ LYS 25 HZ2 LYS 25 186.301 -0.562 -15.749 223 3HZ LYS 25 HZ3 LYS 25 186.838 -0.543 -14.145 224 H LYS 26 HN LYS 26 191.417 2.382 -13.329 225 HA LYS 26 HA LYS 26 190.909 4.387 -15.297 226 1HB LYS 26 HB2 LYS 26 190.101 4.105 -12.769 227 2HB LYS 26 HB1 LYS 26 191.485 5.155 -12.499 228 1HG LYS 26 HG2 LYS 26 190.572 6.875 -13.801 229 2HG LYS 26 HG1 LYS 26 189.374 5.797 -14.524 230 1HD LYS 26 HD2 LYS 26 188.084 5.731 -12.581 231 2HD LYS 26 HD1 LYS 26 189.409 6.314 -11.571 232 1HE LYS 26 HE2 LYS 26 188.404 8.309 -11.728 233 2HE LYS 26 HE1 LYS 26 189.095 8.367 -13.350 234 1HZ LYS 26 HZ1 LYS 26 186.890 8.783 -13.754 235 2HZ LYS 26 HZ2 LYS 26 186.339 7.758 -12.527 236 3HZ LYS 26 HZ3 LYS 26 186.932 7.106 -13.970 237 H TYR 27 HN TYR 27 193.555 3.511 -13.164 238 HA TYR 27 HA TYR 27 195.254 5.445 -14.600 239 1HB TYR 27 HB2 TYR 27 196.023 4.601 -11.849 240 2HB TYR 27 HB1 TYR 27 196.306 6.130 -12.674 241 HD1 TYR 27 HD1 TYR 27 193.558 6.901 -13.439 242 HD2 TYR 27 HD2 TYR 27 195.030 5.188 -9.837 243 HE1 TYR 27 HE1 TYR 27 191.683 7.904 -12.202 244 HE2 TYR 27 HE2 TYR 27 193.159 6.180 -8.587 245 HH TYR 27 HH TYR 27 191.156 8.581 -9.886 246 HA PRO 28 HA PRO 28 197.082 1.355 -15.454 247 1HB PRO 28 HB2 PRO 28 198.096 2.615 -17.875 248 2HB PRO 28 HB1 PRO 28 196.950 1.283 -17.713 249 1HG PRO 28 HG2 PRO 28 196.234 3.743 -18.612 250 2HG PRO 28 HG1 PRO 28 195.126 2.677 -17.728 251 1HD PRO 28 HD2 PRO 28 196.704 5.021 -16.729 252 2HD PRO 28 HD1 PRO 28 195.021 4.562 -16.380 253 H ASP 29 HN ASP 29 198.486 4.551 -15.427 254 HA ASP 29 HA ASP 29 201.199 3.490 -15.401 255 1HB ASP 29 HB2 ASP 29 200.008 6.229 -15.615 256 2HB ASP 29 HB1 ASP 29 201.686 6.050 -15.109 257 H ARG 30 HN ARG 30 198.776 4.286 -13.161 258 HA ARG 30 HA ARG 30 200.718 4.805 -11.025 259 1HB ARG 30 HB2 ARG 30 197.794 5.306 -11.366 260 2HB ARG 30 HB1 ARG 30 198.425 5.106 -9.738 261 1HG ARG 30 HG2 ARG 30 200.085 6.923 -11.204 262 2HG ARG 30 HG1 ARG 30 198.397 7.426 -11.303 263 1HD ARG 30 HD2 ARG 30 198.199 7.414 -8.909 264 2HD ARG 30 HD1 ARG 30 199.822 6.745 -8.739 265 HE ARG 30 HE ARG 30 200.684 8.848 -9.035 266 1HH1 ARG 30 HH11 ARG 30 197.334 8.849 -10.014 267 2HH1 ARG 30 HH12 ARG 30 197.260 10.568 -10.203 268 1HH2 ARG 30 HH21 ARG 30 200.588 11.110 -9.282 269 2HH2 ARG 30 HH22 ARG 30 199.108 11.853 -9.788 270 H VAL 31 HN VAL 31 200.495 3.677 -8.982 271 HA VAL 31 HA VAL 31 199.193 1.054 -9.190 272 HB VAL 31 HB VAL 31 201.064 -0.066 -8.142 273 1HG1 VAL 31 HG11 VAL 31 201.642 -0.440 -10.251 274 2HG1 VAL 31 HG12 VAL 31 202.819 0.862 -10.076 275 3HG1 VAL 31 HG13 VAL 31 201.219 1.204 -10.733 276 1HG2 VAL 31 HG21 VAL 31 202.436 1.117 -6.845 277 2HG2 VAL 31 HG22 VAL 31 201.963 2.640 -7.605 278 3HG2 VAL 31 HG23 VAL 31 203.234 1.652 -8.325 279 HA PRO 32 HA PRO 32 197.589 2.554 -5.270 280 1HB PRO 32 HB2 PRO 32 196.143 0.325 -4.667 281 2HB PRO 32 HB1 PRO 32 195.589 1.551 -5.812 282 1HG PRO 32 HG2 PRO 32 196.925 -1.073 -6.350 283 2HG PRO 32 HG1 PRO 32 195.530 -0.343 -7.168 284 1HD PRO 32 HD2 PRO 32 198.007 -0.262 -8.221 285 2HD PRO 32 HD1 PRO 32 196.860 1.077 -8.425 286 H VAL 33 HN VAL 33 199.128 2.614 -3.727 287 HA VAL 33 HA VAL 33 200.243 0.058 -2.798 288 HB VAL 33 HB VAL 33 201.429 2.829 -2.614 289 1HG1 VAL 33 HG11 VAL 33 203.383 1.844 -1.668 290 2HG1 VAL 33 HG12 VAL 33 202.732 0.220 -1.868 291 3HG1 VAL 33 HG13 VAL 33 202.002 1.323 -0.704 292 1HG2 VAL 33 HG21 VAL 33 203.040 2.061 -4.243 293 2HG2 VAL 33 HG22 VAL 33 201.410 1.852 -4.882 294 3HG2 VAL 33 HG23 VAL 33 202.305 0.453 -4.268 295 H ILE 34 HN ILE 34 200.438 -0.367 -0.596 296 HA ILE 34 HA ILE 34 198.976 1.459 1.185 297 HB ILE 34 HB ILE 34 199.026 -1.535 1.558 298 1HG1 ILE 34 HG12 ILE 34 197.798 -1.055 -0.494 299 2HG1 ILE 34 HG11 ILE 34 196.660 -1.470 0.783 300 1HG2 ILE 34 HG21 ILE 34 198.281 -0.991 3.574 301 2HG2 ILE 34 HG22 ILE 34 196.833 -0.327 2.812 302 3HG2 ILE 34 HG23 ILE 34 198.216 0.715 3.143 303 1HD1 ILE 34 HD11 ILE 34 196.225 0.558 -0.802 304 2HD1 ILE 34 HD12 ILE 34 197.308 1.389 0.313 305 3HD1 ILE 34 HD13 ILE 34 195.822 0.651 0.914 306 H VAL 35 HN VAL 35 201.088 2.368 1.571 307 HA VAL 35 HA VAL 35 203.226 0.913 2.673 308 HB VAL 35 HB VAL 35 202.541 3.831 3.041 309 1HG1 VAL 35 HG11 VAL 35 204.131 3.500 4.658 310 2HG1 VAL 35 HG12 VAL 35 205.144 3.872 3.263 311 3HG1 VAL 35 HG13 VAL 35 204.923 2.197 3.770 312 1HG2 VAL 35 HG21 VAL 35 202.779 3.557 0.751 313 2HG2 VAL 35 HG22 VAL 35 204.006 2.303 0.928 314 3HG2 VAL 35 HG23 VAL 35 204.413 3.986 1.258 315 H GLU 36 HN GLU 36 203.992 0.817 4.841 316 HA GLU 36 HA GLU 36 202.063 1.372 6.974 317 1HB GLU 36 HB2 GLU 36 202.468 -1.194 5.876 318 2HB GLU 36 HB1 GLU 36 203.288 -1.200 7.425 319 1HG GLU 36 HG2 GLU 36 200.388 -0.704 6.859 320 2HG GLU 36 HG1 GLU 36 201.112 -1.981 7.828 321 H LYS 37 HN LYS 37 203.025 1.254 9.125 322 HA LYS 37 HA LYS 37 205.888 1.866 9.029 323 1HB LYS 37 HB2 LYS 37 204.097 3.441 10.082 324 2HB LYS 37 HB1 LYS 37 204.125 2.310 11.427 325 1HG LYS 37 HG2 LYS 37 206.812 2.967 10.790 326 2HG LYS 37 HG1 LYS 37 205.885 4.465 10.882 327 1HD LYS 37 HD2 LYS 37 206.733 3.982 13.067 328 2HD LYS 37 HD1 LYS 37 204.990 3.697 13.079 329 1HE LYS 37 HE2 LYS 37 205.221 1.431 13.254 330 2HE LYS 37 HE1 LYS 37 206.781 1.424 12.431 331 1HZ LYS 37 HZ1 LYS 37 207.602 2.622 14.525 332 2HZ LYS 37 HZ2 LYS 37 207.316 0.958 14.620 333 3HZ LYS 37 HZ3 LYS 37 206.187 2.047 15.251 334 H ALA 38 HN ALA 38 206.626 -0.227 8.927 335 HA ALA 38 HA ALA 38 206.068 -2.530 10.082 336 1HB ALA 38 HB1 ALA 38 208.853 -1.410 10.259 337 2HB ALA 38 HB2 ALA 38 208.113 -2.002 8.764 338 3HB ALA 38 HB3 ALA 38 208.377 -3.106 10.115 339 HA PRO 39 HA PRO 39 205.756 -2.356 14.477 340 1HB PRO 39 HB2 PRO 39 206.811 -4.855 15.027 341 2HB PRO 39 HB1 PRO 39 205.128 -4.543 14.581 342 1HG PRO 39 HG2 PRO 39 207.406 -5.455 12.892 343 2HG PRO 39 HG1 PRO 39 205.713 -5.968 12.858 344 1HD PRO 39 HD2 PRO 39 206.709 -4.289 11.034 345 2HD PRO 39 HD1 PRO 39 205.050 -4.110 11.647 346 H LYS 40 HN LYS 40 207.043 -2.004 16.278 347 HA LYS 40 HA LYS 40 208.890 -1.528 17.496 348 1HB LYS 40 HB2 LYS 40 210.137 -3.482 15.572 349 2HB LYS 40 HB1 LYS 40 211.023 -2.750 16.902 350 1HG LYS 40 HG2 LYS 40 210.327 -4.805 17.739 351 2HG LYS 40 HG1 LYS 40 209.168 -3.651 18.402 352 1HD LYS 40 HD2 LYS 40 207.488 -4.307 16.892 353 2HD LYS 40 HD1 LYS 40 208.633 -5.155 15.853 354 1HE LYS 40 HE2 LYS 40 208.288 -7.040 16.974 355 2HE LYS 40 HE1 LYS 40 208.786 -6.262 18.476 356 1HZ LYS 40 HZ1 LYS 40 206.079 -5.731 17.505 357 2HZ LYS 40 HZ2 LYS 40 206.649 -5.876 19.092 358 3HZ LYS 40 HZ3 LYS 40 206.386 -7.261 18.159 359 H ALA 41 HN ALA 41 208.750 -0.708 14.174 360 HA ALA 41 HA ALA 41 211.136 0.533 13.656 361 1HB ALA 41 HB1 ALA 41 209.044 0.306 12.158 362 2HB ALA 41 HB2 ALA 41 210.070 1.732 11.978 363 3HB ALA 41 HB3 ALA 41 208.562 1.847 12.878 364 H ARG 42 HN ARG 42 212.077 2.402 14.249 365 HA ARG 42 HA ARG 42 210.979 3.756 16.573 366 1HB ARG 42 HB2 ARG 42 213.686 4.241 15.344 367 2HB ARG 42 HB1 ARG 42 213.168 4.579 16.991 368 1HG ARG 42 HG2 ARG 42 212.912 1.770 16.269 369 2HG ARG 42 HG1 ARG 42 214.568 2.371 16.159 370 1HD ARG 42 HD2 ARG 42 212.759 2.613 18.560 371 2HD ARG 42 HD1 ARG 42 214.072 1.455 18.376 372 HE ARG 42 HE ARG 42 215.627 3.209 18.594 373 1HH1 ARG 42 HH11 ARG 42 212.327 4.322 18.935 374 2HH1 ARG 42 HH12 ARG 42 212.781 5.803 19.706 375 1HH2 ARG 42 HH21 ARG 42 216.212 5.157 19.604 376 2HH2 ARG 42 HH22 ARG 42 214.981 6.279 20.084 377 H ILE 43 HN ILE 43 209.733 4.203 14.144 378 HA ILE 43 HA ILE 43 210.282 7.063 13.688 379 HB ILE 43 HB ILE 43 209.155 6.489 11.400 380 1HG1 ILE 43 HG12 ILE 43 210.420 3.850 12.150 381 2HG1 ILE 43 HG11 ILE 43 208.688 4.142 12.033 382 1HG2 ILE 43 HG21 ILE 43 211.994 6.108 12.234 383 2HG2 ILE 43 HG22 ILE 43 211.269 7.409 11.291 384 3HG2 ILE 43 HG23 ILE 43 211.519 5.825 10.559 385 1HD1 ILE 43 HD11 ILE 43 208.929 3.354 9.973 386 2HD1 ILE 43 HD12 ILE 43 210.667 3.677 9.940 387 3HD1 ILE 43 HD13 ILE 43 209.521 4.979 9.607 388 H GLY 44 HN GLY 44 208.350 8.179 12.710 389 1HA GLY 44 HA2 GLY 44 206.153 7.951 14.481 390 2HA GLY 44 HA1 GLY 44 206.215 8.964 13.046 391 H ASP 45 HN ASP 45 204.120 7.130 14.248 392 HA ASP 45 HA ASP 45 203.797 5.040 12.299 393 1HB ASP 45 HB2 ASP 45 201.785 4.477 13.497 394 2HB ASP 45 HB1 ASP 45 203.051 4.834 14.668 395 H LEU 46 HN LEU 46 202.647 5.074 10.472 396 HA LEU 46 HA LEU 46 201.437 7.593 9.661 397 1HB LEU 46 HB2 LEU 46 202.784 5.421 8.343 398 2HB LEU 46 HB1 LEU 46 201.221 5.690 7.594 399 HG LEU 46 HG LEU 46 202.884 8.087 8.094 400 1HD1 LEU 46 HD11 LEU 46 204.644 6.800 7.265 401 2HD1 LEU 46 HD12 LEU 46 204.005 7.621 5.840 402 3HD1 LEU 46 HD13 LEU 46 203.601 5.931 6.138 403 1HD2 LEU 46 HD21 LEU 46 201.981 8.578 5.779 404 2HD2 LEU 46 HD22 LEU 46 200.789 8.451 7.072 405 3HD2 LEU 46 HD23 LEU 46 201.019 7.111 5.947 406 H ASP 47 HN ASP 47 199.327 7.798 8.917 407 HA ASP 47 HA ASP 47 197.509 5.614 9.701 408 1HB ASP 47 HB2 ASP 47 195.813 7.367 10.127 409 2HB ASP 47 HB1 ASP 47 197.235 7.548 11.150 410 H LYS 48 HN LYS 48 198.666 7.466 7.116 411 HA LYS 48 HA LYS 48 196.338 7.560 5.491 412 1HB LYS 48 HB2 LYS 48 198.242 9.042 5.104 413 2HB LYS 48 HB1 LYS 48 199.266 7.660 4.741 414 1HG LYS 48 HG2 LYS 48 197.505 7.189 2.884 415 2HG LYS 48 HG1 LYS 48 197.099 8.892 3.107 416 1HD LYS 48 HD2 LYS 48 199.798 9.038 2.972 417 2HD LYS 48 HD1 LYS 48 199.495 7.650 1.923 418 1HE LYS 48 HE2 LYS 48 198.682 8.940 0.296 419 2HE LYS 48 HE1 LYS 48 197.642 9.821 1.414 420 1HZ LYS 48 HZ1 LYS 48 200.463 10.386 0.719 421 2HZ LYS 48 HZ2 LYS 48 199.721 11.060 2.081 422 3HZ LYS 48 HZ3 LYS 48 199.117 11.395 0.537 423 H LYS 49 HN LYS 49 199.229 5.490 5.340 424 HA LYS 49 HA LYS 49 199.553 3.360 4.661 425 1HB LYS 49 HB2 LYS 49 196.618 3.319 5.205 426 2HB LYS 49 HB1 LYS 49 197.329 1.953 4.351 427 1HG LYS 49 HG2 LYS 49 198.808 2.775 6.737 428 2HG LYS 49 HG1 LYS 49 197.170 2.205 7.054 429 1HD LYS 49 HD2 LYS 49 198.065 0.355 5.261 430 2HD LYS 49 HD1 LYS 49 199.539 0.738 6.149 431 1HE LYS 49 HE2 LYS 49 196.955 -0.376 7.182 432 2HE LYS 49 HE1 LYS 49 198.576 -1.045 7.328 433 1HZ LYS 49 HZ1 LYS 49 198.539 -0.135 9.348 434 2HZ LYS 49 HZ2 LYS 49 197.231 0.878 8.991 435 3HZ LYS 49 HZ3 LYS 49 198.801 1.344 8.567 436 H LYS 50 HN LYS 50 196.619 4.513 2.957 437 HA LYS 50 HA LYS 50 197.308 3.206 0.540 438 1HB LYS 50 HB2 LYS 50 194.993 3.948 1.297 439 2HB LYS 50 HB1 LYS 50 195.451 5.564 0.778 440 1HG LYS 50 HG2 LYS 50 194.590 4.976 -1.192 441 2HG LYS 50 HG1 LYS 50 196.085 4.064 -1.415 442 1HD LYS 50 HD2 LYS 50 194.578 2.400 -1.812 443 2HD LYS 50 HD1 LYS 50 194.728 2.232 -0.063 444 1HE LYS 50 HE2 LYS 50 192.391 2.193 -0.750 445 2HE LYS 50 HE1 LYS 50 192.736 3.605 0.247 446 1HZ LYS 50 HZ1 LYS 50 191.381 3.828 -1.955 447 2HZ LYS 50 HZ2 LYS 50 192.914 3.862 -2.669 448 3HZ LYS 50 HZ3 LYS 50 192.497 5.022 -1.512 449 H TYR 51 HN TYR 51 198.293 3.889 -1.281 450 HA TYR 51 HA TYR 51 199.121 6.666 -1.548 451 1HB TYR 51 HB2 TYR 51 201.037 4.358 -1.287 452 2HB TYR 51 HB1 TYR 51 201.482 5.841 -2.126 453 HD1 TYR 51 HD1 TYR 51 201.796 7.916 -0.902 454 HD2 TYR 51 HD2 TYR 51 200.730 4.324 1.094 455 HE1 TYR 51 HE1 TYR 51 202.391 8.948 1.248 456 HE2 TYR 51 HE2 TYR 51 201.319 5.340 3.259 457 HH TYR 51 HH TYR 51 201.458 8.239 3.945 458 H LEU 52 HN LEU 52 198.632 7.249 -3.544 459 HA LEU 52 HA LEU 52 198.519 5.192 -5.631 460 1HB LEU 52 HB2 LEU 52 196.699 7.093 -5.003 461 2HB LEU 52 HB1 LEU 52 197.625 7.955 -6.217 462 HG LEU 52 HG LEU 52 197.160 6.230 -7.862 463 1HD1 LEU 52 HD11 LEU 52 196.506 4.690 -5.525 464 2HD1 LEU 52 HD12 LEU 52 196.770 4.155 -7.184 465 3HD1 LEU 52 HD13 LEU 52 195.165 4.671 -6.670 466 1HD2 LEU 52 HD21 LEU 52 195.201 7.167 -8.360 467 2HD2 LEU 52 HD22 LEU 52 195.328 8.022 -6.823 468 3HD2 LEU 52 HD23 LEU 52 194.428 6.508 -6.919 469 H VAL 53 HN VAL 53 200.859 5.156 -5.675 470 HA VAL 53 HA VAL 53 202.132 7.500 -6.864 471 HB VAL 53 HB VAL 53 204.127 5.622 -6.676 472 1HG1 VAL 53 HG11 VAL 53 203.265 7.616 -4.581 473 2HG1 VAL 53 HG12 VAL 53 204.262 7.956 -5.996 474 3HG1 VAL 53 HG13 VAL 53 204.868 6.899 -4.723 475 1HG2 VAL 53 HG21 VAL 53 202.289 5.235 -4.315 476 2HG2 VAL 53 HG22 VAL 53 203.952 4.663 -4.412 477 3HG2 VAL 53 HG23 VAL 53 202.735 4.020 -5.513 478 HA PRO 54 HA PRO 54 202.237 6.115 -11.026 479 1HB PRO 54 HB2 PRO 54 205.164 6.632 -10.980 480 2HB PRO 54 HB1 PRO 54 203.928 7.263 -12.072 481 1HG PRO 54 HG2 PRO 54 204.984 8.803 -10.171 482 2HG PRO 54 HG1 PRO 54 203.262 8.909 -10.582 483 1HD PRO 54 HD2 PRO 54 204.578 7.608 -8.237 484 2HD PRO 54 HD1 PRO 54 203.041 8.493 -8.323 485 H SER 55 HN SER 55 204.018 4.850 -12.480 486 HA SER 55 HA SER 55 204.529 2.350 -11.009 487 1HB SER 55 HB2 SER 55 204.083 1.124 -12.981 488 2HB SER 55 HB1 SER 55 202.837 2.372 -12.945 489 HG SER 55 HG SER 55 204.793 1.940 -14.773 490 H ASP 56 HN ASP 56 206.001 4.946 -12.624 491 HA ASP 56 HA ASP 56 208.441 3.421 -13.158 492 1HB ASP 56 HB2 ASP 56 207.300 5.968 -14.174 493 2HB ASP 56 HB1 ASP 56 209.053 5.902 -14.010 494 H LEU 57 HN LEU 57 206.990 5.219 -10.756 495 HA LEU 57 HA LEU 57 209.053 6.798 -9.759 496 1HB LEU 57 HB2 LEU 57 206.731 6.943 -8.984 497 2HB LEU 57 HB1 LEU 57 206.896 5.375 -8.216 498 HG LEU 57 HG LEU 57 208.931 6.602 -7.021 499 1HD1 LEU 57 HD11 LEU 57 208.568 8.688 -8.273 500 2HD1 LEU 57 HD12 LEU 57 208.434 8.902 -6.529 501 3HD1 LEU 57 HD13 LEU 57 206.980 8.836 -7.523 502 1HD2 LEU 57 HD21 LEU 57 206.059 6.349 -6.375 503 2HD2 LEU 57 HD22 LEU 57 207.021 7.403 -5.339 504 3HD2 LEU 57 HD23 LEU 57 207.472 5.710 -5.538 505 H THR 58 HN THR 58 211.033 6.088 -9.363 506 HA THR 58 HA THR 58 211.658 3.411 -8.680 507 HB THR 58 HB THR 58 213.827 5.008 -7.896 508 HG1 THR 58 HG1 THR 58 212.788 6.798 -8.840 509 1HG2 THR 58 HG21 THR 58 214.751 3.491 -9.205 510 2HG2 THR 58 HG22 THR 58 214.190 4.417 -10.597 511 3HG2 THR 58 HG23 THR 58 213.197 3.111 -9.947 512 H VAL 59 HN VAL 59 212.265 2.487 -6.773 513 HA VAL 59 HA VAL 59 210.924 3.061 -4.472 514 HB VAL 59 HB VAL 59 213.509 1.628 -4.958 515 1HG1 VAL 59 HG11 VAL 59 212.219 2.107 -2.276 516 2HG1 VAL 59 HG12 VAL 59 213.873 2.479 -2.761 517 3HG1 VAL 59 HG13 VAL 59 213.362 0.799 -2.585 518 1HG2 VAL 59 HG21 VAL 59 212.259 -0.246 -4.981 519 2HG2 VAL 59 HG22 VAL 59 210.959 0.884 -5.358 520 3HG2 VAL 59 HG23 VAL 59 211.187 0.324 -3.701 521 H GLY 60 HN GLY 60 213.999 4.406 -5.536 522 1HA GLY 60 HA2 GLY 60 214.789 5.634 -3.136 523 2HA GLY 60 HA1 GLY 60 215.240 6.174 -4.748 524 H GLN 61 HN GLN 61 212.552 6.635 -5.647 525 HA GLN 61 HA GLN 61 212.178 9.290 -4.636 526 1HB GLN 61 HB2 GLN 61 210.569 7.645 -6.583 527 2HB GLN 61 HB1 GLN 61 210.281 9.347 -6.229 528 1HG GLN 61 HG2 GLN 61 212.545 9.869 -6.975 529 2HG GLN 61 HG1 GLN 61 212.787 8.175 -7.385 530 1HE2 GLN 61 HE21 GLN 61 210.333 7.583 -8.502 531 2HE2 GLN 61 HE22 GLN 61 210.147 8.452 -9.985 532 H PHE 62 HN PHE 62 210.254 6.304 -4.615 533 HA PHE 62 HA PHE 62 208.035 7.136 -3.222 534 1HB PHE 62 HB2 PHE 62 208.577 4.815 -4.186 535 2HB PHE 62 HB1 PHE 62 209.354 4.492 -2.640 536 HD1 PHE 62 HD1 PHE 62 206.259 6.418 -3.301 537 HD2 PHE 62 HD2 PHE 62 207.979 2.889 -1.669 538 HE1 PHE 62 HE1 PHE 62 204.077 5.802 -2.352 539 HE2 PHE 62 HE2 PHE 62 205.798 2.263 -0.715 540 HZ PHE 62 HZ PHE 62 203.844 3.724 -1.060 541 H TYR 63 HN TYR 63 211.156 6.111 -1.918 542 HA TYR 63 HA TYR 63 210.620 6.109 0.796 543 1HB TYR 63 HB2 TYR 63 213.011 6.563 -0.893 544 2HB TYR 63 HB1 TYR 63 213.122 7.161 0.756 545 HD1 TYR 63 HD1 TYR 63 212.285 5.357 2.575 546 HD2 TYR 63 HD2 TYR 63 213.771 4.463 -1.302 547 HE1 TYR 63 HE1 TYR 63 212.927 3.138 3.352 548 HE2 TYR 63 HE2 TYR 63 214.406 2.213 -0.544 549 HH TYR 63 HH TYR 63 215.014 1.178 1.834 550 H PHE 64 HN PHE 64 212.333 8.726 -0.797 551 HA PHE 64 HA PHE 64 212.246 10.735 0.974 552 1HB PHE 64 HB2 PHE 64 213.370 11.143 -1.025 553 2HB PHE 64 HB1 PHE 64 211.995 10.681 -2.012 554 HD1 PHE 64 HD1 PHE 64 210.522 12.276 -2.845 555 HD2 PHE 64 HD2 PHE 64 213.303 13.351 0.193 556 HE1 PHE 64 HE1 PHE 64 209.978 14.652 -3.192 557 HE2 PHE 64 HE2 PHE 64 212.760 15.728 -0.144 558 HZ PHE 64 HZ PHE 64 211.097 16.381 -1.840 559 H LEU 65 HN LEU 65 209.479 9.733 -1.010 560 HA LEU 65 HA LEU 65 207.843 11.921 -0.203 561 1HB LEU 65 HB2 LEU 65 206.505 11.186 -1.811 562 2HB LEU 65 HB1 LEU 65 207.726 9.977 -2.153 563 HG LEU 65 HG LEU 65 206.552 8.518 -0.469 564 1HD1 LEU 65 HD11 LEU 65 204.758 9.271 0.623 565 2HD1 LEU 65 HD12 LEU 65 203.975 9.730 -0.888 566 3HD1 LEU 65 HD13 LEU 65 205.062 10.859 -0.078 567 1HD2 LEU 65 HD21 LEU 65 204.904 9.228 -2.883 568 2HD2 LEU 65 HD22 LEU 65 205.079 7.651 -2.113 569 3HD2 LEU 65 HD23 LEU 65 206.436 8.363 -2.987 570 H ILE 66 HN ILE 66 208.078 8.525 0.810 571 HA ILE 66 HA ILE 66 206.078 8.735 2.819 572 HB ILE 66 HB ILE 66 208.328 6.757 2.442 573 1HG1 ILE 66 HG12 ILE 66 206.699 6.618 0.678 574 2HG1 ILE 66 HG11 ILE 66 206.458 5.247 1.755 575 1HG2 ILE 66 HG21 ILE 66 206.385 7.060 4.635 576 2HG2 ILE 66 HG22 ILE 66 207.976 6.298 4.621 577 3HG2 ILE 66 HG23 ILE 66 206.574 5.427 3.995 578 1HD1 ILE 66 HD11 ILE 66 204.589 7.195 0.921 579 2HD1 ILE 66 HD12 ILE 66 204.810 7.364 2.663 580 3HD1 ILE 66 HD13 ILE 66 204.337 5.810 1.980 581 H ARG 67 HN ARG 67 209.539 9.176 2.706 582 HA ARG 67 HA ARG 67 210.205 9.224 5.385 583 1HB ARG 67 HB2 ARG 67 211.292 10.710 3.005 584 2HB ARG 67 HB1 ARG 67 212.039 10.804 4.601 585 1HG ARG 67 HG2 ARG 67 212.074 8.258 4.532 586 2HG ARG 67 HG1 ARG 67 211.747 8.419 2.809 587 1HD ARG 67 HD2 ARG 67 213.903 10.121 3.747 588 2HD ARG 67 HD1 ARG 67 214.206 8.400 4.012 589 HE ARG 67 HE ARG 67 213.300 9.075 1.361 590 1HH1 ARG 67 HH11 ARG 67 216.067 8.657 3.442 591 2HH1 ARG 67 HH12 ARG 67 217.161 8.356 2.134 592 1HH2 ARG 67 HH21 ARG 67 214.736 8.682 -0.361 593 2HH2 ARG 67 HH22 ARG 67 216.407 8.372 -0.024 594 H LYS 68 HN LYS 68 208.461 11.595 3.519 595 HA LYS 68 HA LYS 68 208.757 13.667 5.523 596 1HB LYS 68 HB2 LYS 68 206.890 13.567 3.151 597 2HB LYS 68 HB1 LYS 68 207.272 14.980 4.124 598 1HG LYS 68 HG2 LYS 68 209.490 15.059 3.308 599 2HG LYS 68 HG1 LYS 68 209.340 13.466 2.561 600 1HD LYS 68 HD2 LYS 68 207.272 14.844 1.415 601 2HD LYS 68 HD1 LYS 68 208.510 16.092 1.577 602 1HE LYS 68 HE2 LYS 68 210.062 14.841 0.303 603 2HE LYS 68 HE1 LYS 68 209.066 13.394 0.373 604 1HZ LYS 68 HZ1 LYS 68 208.382 14.073 -1.633 605 2HZ LYS 68 HZ2 LYS 68 208.875 15.673 -1.393 606 3HZ LYS 68 HZ3 LYS 68 207.393 15.144 -0.775 607 H ARG 69 HN ARG 69 206.289 11.402 4.415 608 HA ARG 69 HA ARG 69 204.151 12.260 5.981 609 1HB ARG 69 HB2 ARG 69 204.779 9.388 5.294 610 2HB ARG 69 HB1 ARG 69 203.199 10.081 5.636 611 1HG ARG 69 HG2 ARG 69 204.542 11.434 3.454 612 2HG ARG 69 HG1 ARG 69 204.318 9.710 3.146 613 1HD ARG 69 HD2 ARG 69 202.073 9.889 3.027 614 2HD ARG 69 HD1 ARG 69 202.000 11.127 4.282 615 HE ARG 69 HE ARG 69 202.122 11.541 1.453 616 1HH1 ARG 69 HH11 ARG 69 202.923 12.931 4.551 617 2HH1 ARG 69 HH12 ARG 69 202.911 14.561 3.964 618 1HH2 ARG 69 HH21 ARG 69 202.107 13.682 0.677 619 2HH2 ARG 69 HH22 ARG 69 202.448 14.987 1.764 620 H ILE 70 HN ILE 70 207.066 10.679 6.861 621 HA ILE 70 HA ILE 70 206.022 10.023 9.525 622 HB ILE 70 HB ILE 70 208.639 9.079 9.423 623 1HG1 ILE 70 HG12 ILE 70 207.256 8.172 6.908 624 2HG1 ILE 70 HG11 ILE 70 208.430 9.484 6.906 625 1HG2 ILE 70 HG21 ILE 70 207.675 7.139 10.023 626 2HG2 ILE 70 HG22 ILE 70 206.486 7.201 8.720 627 3HG2 ILE 70 HG23 ILE 70 206.248 8.163 10.179 628 1HD1 ILE 70 HD11 ILE 70 210.150 8.089 7.015 629 2HD1 ILE 70 HD12 ILE 70 208.991 6.840 6.556 630 3HD1 ILE 70 HD13 ILE 70 209.386 7.095 8.257 631 H HIS 71 HN HIS 71 208.051 12.162 7.799 632 HA HIS 71 HA HIS 71 208.916 14.155 8.487 633 1HB HIS 71 HB2 HIS 71 208.808 13.257 11.362 634 2HB HIS 71 HB1 HIS 71 208.901 14.900 10.738 635 HD1 HIS 71 HD1 HIS 71 206.636 13.481 12.630 636 HD2 HIS 71 HD2 HIS 71 206.317 14.639 8.653 637 HE1 HIS 71 HE1 HIS 71 204.176 13.801 12.218 638 HE2 HIS 71 HE2 HIS 71 204.011 14.554 9.820 639 H LEU 72 HN LEU 72 210.514 12.483 7.432 640 HA LEU 72 HA LEU 72 212.869 12.233 9.186 641 1HB LEU 72 HB2 LEU 72 212.172 10.888 6.576 642 2HB LEU 72 HB1 LEU 72 213.767 10.804 7.299 643 HG LEU 72 HG LEU 72 212.455 8.788 7.754 644 1HD1 LEU 72 HD11 LEU 72 213.952 8.955 9.447 645 2HD1 LEU 72 HD12 LEU 72 212.473 9.136 10.390 646 3HD1 LEU 72 HD13 LEU 72 213.402 10.559 9.925 647 1HD2 LEU 72 HD21 LEU 72 210.479 8.815 9.081 648 2HD2 LEU 72 HD22 LEU 72 210.242 9.935 7.739 649 3HD2 LEU 72 HD23 LEU 72 210.614 10.553 9.349 650 H ARG 73 HN ARG 73 214.771 13.252 8.652 651 HA ARG 73 HA ARG 73 214.514 15.420 6.726 652 1HB ARG 73 HB2 ARG 73 216.768 16.103 7.719 653 2HB ARG 73 HB1 ARG 73 215.364 16.183 8.773 654 1HG ARG 73 HG2 ARG 73 216.955 13.681 8.788 655 2HG ARG 73 HG1 ARG 73 217.655 15.112 9.547 656 1HD ARG 73 HD2 ARG 73 214.937 14.906 10.361 657 2HD ARG 73 HD1 ARG 73 215.697 13.332 10.577 658 HE ARG 73 HE ARG 73 217.064 14.229 12.211 659 1HH1 ARG 73 HH11 ARG 73 215.247 16.772 10.651 660 2HH1 ARG 73 HH12 ARG 73 215.651 17.960 11.843 661 1HH2 ARG 73 HH21 ARG 73 217.594 15.793 13.776 662 2HH2 ARG 73 HH22 ARG 73 216.983 17.405 13.615 663 H ALA 74 HN ALA 74 214.621 13.104 5.354 664 HA ALA 74 HA ALA 74 215.676 12.092 3.610 665 1HB ALA 74 HB1 ALA 74 217.060 14.682 3.852 666 2HB ALA 74 HB2 ALA 74 216.298 13.926 2.454 667 3HB ALA 74 HB3 ALA 74 217.917 13.434 2.947 668 H GLU 75 HN GLU 75 218.504 13.395 5.339 669 HA GLU 75 HA GLU 75 220.107 11.156 5.099 670 1HB GLU 75 HB2 GLU 75 220.039 13.252 7.273 671 2HB GLU 75 HB1 GLU 75 221.315 12.052 7.118 672 1HG GLU 75 HG2 GLU 75 221.828 12.923 4.875 673 2HG GLU 75 HG1 GLU 75 220.593 14.162 5.097 674 H ASP 76 HN ASP 76 217.462 11.742 7.264 675 HA ASP 76 HA ASP 76 218.006 9.946 9.320 676 1HB ASP 76 HB2 ASP 76 215.933 11.598 8.731 677 2HB ASP 76 HB1 ASP 76 215.203 10.024 8.429 678 H ALA 77 HN ALA 77 216.972 7.876 9.723 679 HA ALA 77 HA ALA 77 217.419 6.132 7.448 680 1HB ALA 77 HB1 ALA 77 217.535 4.338 8.994 681 2HB ALA 77 HB2 ALA 77 216.830 5.318 10.280 682 3HB ALA 77 HB3 ALA 77 218.446 5.688 9.674 683 H LEU 78 HN LEU 78 216.011 4.858 6.499 684 HA LEU 78 HA LEU 78 213.456 4.163 7.502 685 1HB LEU 78 HB2 LEU 78 212.940 6.468 6.809 686 2HB LEU 78 HB1 LEU 78 213.523 6.105 5.193 687 HG LEU 78 HG LEU 78 211.734 4.289 5.110 688 1HD1 LEU 78 HD11 LEU 78 209.761 5.043 6.650 689 2HD1 LEU 78 HD12 LEU 78 211.066 5.643 7.672 690 3HD1 LEU 78 HD13 LEU 78 210.996 3.934 7.243 691 1HD2 LEU 78 HD21 LEU 78 210.700 7.106 5.346 692 2HD2 LEU 78 HD22 LEU 78 210.045 5.793 4.367 693 3HD2 LEU 78 HD23 LEU 78 211.605 6.502 3.958 694 H PHE 79 HN PHE 79 213.113 2.192 6.710 695 HA PHE 79 HA PHE 79 214.116 1.583 4.012 696 1HB PHE 79 HB2 PHE 79 214.125 -0.319 6.366 697 2HB PHE 79 HB1 PHE 79 214.734 -0.652 4.750 698 HD1 PHE 79 HD1 PHE 79 216.953 -0.253 4.235 699 HD2 PHE 79 HD2 PHE 79 215.253 1.578 7.679 700 HE1 PHE 79 HE1 PHE 79 219.183 0.538 4.911 701 HE2 PHE 79 HE2 PHE 79 217.478 2.377 8.358 702 HZ PHE 79 HZ PHE 79 219.448 1.857 6.974 703 H PHE 80 HN PHE 80 212.671 0.703 2.665 704 HA PHE 80 HA PHE 80 209.982 0.287 3.605 705 1HB PHE 80 HB2 PHE 80 211.279 0.233 0.892 706 2HB PHE 80 HB1 PHE 80 209.625 -0.323 1.119 707 HD1 PHE 80 HD1 PHE 80 208.925 1.759 3.287 708 HD2 PHE 80 HD2 PHE 80 210.776 2.048 -0.535 709 HE1 PHE 80 HE1 PHE 80 208.132 4.077 3.084 710 HE2 PHE 80 HE2 PHE 80 209.982 4.363 -0.745 711 HZ PHE 80 HZ PHE 80 208.660 5.382 1.065 712 H PHE 81 HN PHE 81 208.851 -1.618 3.663 713 HA PHE 81 HA PHE 81 210.345 -4.065 3.065 714 1HB PHE 81 HB2 PHE 81 208.799 -3.529 5.606 715 2HB PHE 81 HB1 PHE 81 209.489 -5.086 5.153 716 HD1 PHE 81 HD1 PHE 81 210.219 -1.685 6.279 717 HD2 PHE 81 HD2 PHE 81 211.867 -5.468 5.242 718 HE1 PHE 81 HE1 PHE 81 212.368 -1.019 7.277 719 HE2 PHE 81 HE2 PHE 81 214.016 -4.813 6.243 720 HZ PHE 81 HZ PHE 81 214.277 -2.583 7.252 721 H VAL 82 HN VAL 82 209.257 -5.006 1.494 722 HA VAL 82 HA VAL 82 206.318 -5.088 1.664 723 HB VAL 82 HB VAL 82 207.375 -3.854 -0.324 724 1HG1 VAL 82 HG11 VAL 82 208.369 -5.015 -2.064 725 2HG1 VAL 82 HG12 VAL 82 207.756 -6.575 -1.510 726 3HG1 VAL 82 HG13 VAL 82 209.067 -5.781 -0.636 727 1HG2 VAL 82 HG21 VAL 82 205.655 -6.026 -1.378 728 2HG2 VAL 82 HG22 VAL 82 205.514 -4.277 -1.556 729 3HG2 VAL 82 HG23 VAL 82 205.022 -5.053 -0.050 730 H ASN 83 HN ASN 83 205.514 -7.037 2.099 731 HA ASN 83 HA ASN 83 205.309 -9.300 2.295 732 1HB ASN 83 HB2 ASN 83 207.453 -9.500 0.164 733 2HB ASN 83 HB1 ASN 83 206.294 -10.743 0.622 734 1HD2 ASN 83 HD21 ASN 83 204.118 -10.494 0.031 735 2HD2 ASN 83 HD22 ASN 83 203.650 -9.443 -1.258 736 H ASN 84 HN ASN 84 207.405 -7.596 3.627 737 HA ASN 84 HA ASN 84 208.733 -8.000 5.447 738 1HB ASN 84 HB2 ASN 84 207.753 -10.483 5.135 739 2HB ASN 84 HB1 ASN 84 209.435 -10.787 4.715 740 1HD2 ASN 84 HD21 ASN 84 207.218 -9.911 7.216 741 2HD2 ASN 84 HD22 ASN 84 208.326 -10.043 8.535 742 H VAL 85 HN VAL 85 209.518 -7.804 2.328 743 HA VAL 85 HA VAL 85 212.395 -8.094 2.858 744 HB VAL 85 HB VAL 85 211.513 -9.645 1.179 745 1HG1 VAL 85 HG11 VAL 85 209.940 -8.903 -0.211 746 2HG1 VAL 85 HG12 VAL 85 211.258 -8.170 -1.126 747 3HG1 VAL 85 HG13 VAL 85 210.382 -7.219 0.073 748 1HG2 VAL 85 HG21 VAL 85 213.868 -8.662 1.203 749 2HG2 VAL 85 HG22 VAL 85 213.338 -7.705 -0.180 750 3HG2 VAL 85 HG23 VAL 85 213.335 -9.466 -0.272 751 H ILE 86 HN ILE 86 213.791 -6.678 1.668 752 HA ILE 86 HA ILE 86 212.707 -3.965 1.565 753 HB ILE 86 HB ILE 86 215.572 -4.905 1.553 754 1HG1 ILE 86 HG12 ILE 86 213.637 -4.169 3.701 755 2HG1 ILE 86 HG11 ILE 86 214.881 -5.415 3.690 756 1HG2 ILE 86 HG21 ILE 86 214.784 -2.565 0.557 757 2HG2 ILE 86 HG22 ILE 86 216.267 -2.732 1.495 758 3HG2 ILE 86 HG23 ILE 86 214.802 -2.126 2.264 759 1HD1 ILE 86 HD11 ILE 86 215.357 -2.462 3.955 760 2HD1 ILE 86 HD12 ILE 86 216.591 -3.721 3.979 761 3HD1 ILE 86 HD13 ILE 86 215.390 -3.640 5.265 762 HA PRO 87 HA PRO 87 212.896 -4.337 -2.918 763 1HB PRO 87 HB2 PRO 87 211.753 -1.968 -3.499 764 2HB PRO 87 HB1 PRO 87 210.810 -3.344 -2.911 765 1HG PRO 87 HG2 PRO 87 211.822 -0.961 -1.409 766 2HG PRO 87 HG1 PRO 87 210.237 -1.748 -1.319 767 1HD PRO 87 HD2 PRO 87 212.231 -2.174 0.495 768 2HD PRO 87 HD1 PRO 87 210.993 -3.385 0.102 769 HA PRO 88 HA PRO 88 216.612 -2.087 -3.797 770 1HB PRO 88 HB2 PRO 88 215.955 -2.225 -6.645 771 2HB PRO 88 HB1 PRO 88 217.245 -3.040 -5.758 772 1HG PRO 88 HG2 PRO 88 215.124 -4.375 -6.763 773 2HG PRO 88 HG1 PRO 88 215.932 -4.867 -5.263 774 1HD PRO 88 HD2 PRO 88 213.389 -3.324 -5.625 775 2HD PRO 88 HD1 PRO 88 213.757 -4.647 -4.495 776 H THR 89 HN THR 89 217.100 0.021 -3.866 777 HA THR 89 HA THR 89 215.172 2.014 -4.200 778 HB THR 89 HB THR 89 217.233 3.542 -4.424 779 HG1 THR 89 HG1 THR 89 218.568 1.708 -5.137 780 1HG2 THR 89 HG21 THR 89 217.701 3.502 -2.136 781 2HG2 THR 89 HG22 THR 89 217.314 1.786 -1.999 782 3HG2 THR 89 HG23 THR 89 216.028 2.962 -2.272 783 H SER 90 HN SER 90 217.068 0.326 -6.529 784 HA SER 90 HA SER 90 216.820 2.323 -8.593 785 1HB SER 90 HB2 SER 90 218.701 0.580 -8.354 786 2HB SER 90 HB1 SER 90 217.549 -0.567 -9.039 787 HG SER 90 HG SER 90 217.343 0.982 -10.810 788 H ALA 91 HN ALA 91 215.124 -0.580 -7.599 789 HA ALA 91 HA ALA 91 213.609 -1.032 -9.910 790 1HB ALA 91 HB1 ALA 91 213.775 -2.633 -8.055 791 2HB ALA 91 HB2 ALA 91 212.099 -2.297 -8.491 792 3HB ALA 91 HB3 ALA 91 212.802 -1.557 -7.052 793 H THR 92 HN THR 92 211.305 -0.624 -10.235 794 HA THR 92 HA THR 92 210.558 2.048 -9.260 795 HB THR 92 HB THR 92 209.266 2.322 -11.285 796 HG1 THR 92 HG1 THR 92 209.172 0.683 -12.823 797 1HG2 THR 92 HG21 THR 92 211.051 1.897 -13.057 798 2HG2 THR 92 HG22 THR 92 212.056 1.338 -11.721 799 3HG2 THR 92 HG23 THR 92 211.447 2.992 -11.732 800 H MET 93 HN MET 93 208.469 2.458 -8.553 801 HA MET 93 HA MET 93 207.197 0.594 -6.992 802 1HB MET 93 HB2 MET 93 206.076 3.016 -8.396 803 2HB MET 93 HB1 MET 93 205.140 2.066 -7.252 804 1HG MET 93 HG2 MET 93 207.758 2.897 -6.263 805 2HG MET 93 HG1 MET 93 206.665 4.225 -6.641 806 1HE MET 93 HE1 MET 93 205.744 0.838 -3.675 807 2HE MET 93 HE2 MET 93 206.830 0.756 -5.062 808 3HE MET 93 HE3 MET 93 205.084 0.719 -5.306 809 H GLY 94 HN GLY 94 206.697 1.263 -10.412 810 1HA GLY 94 HA2 GLY 94 204.387 -0.322 -10.768 811 2HA GLY 94 HA1 GLY 94 205.523 0.133 -12.032 812 H GLN 95 HN GLN 95 207.837 -1.075 -10.992 813 HA GLN 95 HA GLN 95 207.523 -3.709 -11.944 814 1HB GLN 95 HB2 GLN 95 209.768 -2.454 -10.348 815 2HB GLN 95 HB1 GLN 95 209.850 -4.045 -11.095 816 1HG GLN 95 HG2 GLN 95 209.032 -2.125 -13.046 817 2HG GLN 95 HG1 GLN 95 210.487 -1.556 -12.230 818 1HE2 GLN 95 HE21 GLN 95 209.427 -4.840 -12.999 819 2HE2 GLN 95 HE22 GLN 95 210.792 -5.241 -13.978 820 H LEU 96 HN LEU 96 207.705 -2.328 -8.703 821 HA LEU 96 HA LEU 96 207.765 -4.764 -7.286 822 1HB LEU 96 HB2 LEU 96 206.526 -2.154 -6.393 823 2HB LEU 96 HB1 LEU 96 207.016 -3.479 -5.356 824 HG LEU 96 HG LEU 96 208.778 -1.577 -6.879 825 1HD1 LEU 96 HD11 LEU 96 208.465 -2.290 -3.968 826 2HD1 LEU 96 HD12 LEU 96 208.070 -0.756 -4.747 827 3HD1 LEU 96 HD13 LEU 96 209.752 -1.267 -4.607 828 1HD2 LEU 96 HD21 LEU 96 209.382 -4.296 -5.815 829 2HD2 LEU 96 HD22 LEU 96 210.609 -3.035 -5.704 830 3HD2 LEU 96 HD23 LEU 96 209.967 -3.504 -7.277 831 H TYR 97 HN TYR 97 205.106 -2.686 -8.344 832 HA TYR 97 HA TYR 97 203.013 -4.161 -7.217 833 1HB TYR 97 HB2 TYR 97 202.675 -1.909 -8.090 834 2HB TYR 97 HB1 TYR 97 203.018 -2.474 -9.723 835 HD1 TYR 97 HD1 TYR 97 201.427 -4.049 -10.834 836 HD2 TYR 97 HD2 TYR 97 200.518 -2.151 -7.135 837 HE1 TYR 97 HE1 TYR 97 199.044 -4.569 -11.160 838 HE2 TYR 97 HE2 TYR 97 198.133 -2.666 -7.450 839 HH TYR 97 HH TYR 97 196.983 -4.890 -9.478 840 H GLN 98 HN GLN 98 204.551 -4.388 -10.397 841 HA GLN 98 HA GLN 98 202.848 -6.422 -11.373 842 1HB GLN 98 HB2 GLN 98 205.648 -5.663 -12.180 843 2HB GLN 98 HB1 GLN 98 204.602 -6.748 -13.082 844 1HG GLN 98 HG2 GLN 98 203.028 -4.533 -12.791 845 2HG GLN 98 HG1 GLN 98 204.637 -3.837 -12.973 846 1HE2 GLN 98 HE21 GLN 98 205.468 -3.674 -14.946 847 2HE2 GLN 98 HE22 GLN 98 204.806 -4.388 -16.373 848 H GLU 99 HN GLU 99 205.599 -6.481 -9.261 849 HA GLU 99 HA GLU 99 205.621 -9.424 -9.434 850 1HB GLU 99 HB2 GLU 99 207.862 -7.479 -8.980 851 2HB GLU 99 HB1 GLU 99 208.018 -9.197 -8.627 852 1HG GLU 99 HG2 GLU 99 207.029 -9.212 -11.172 853 2HG GLU 99 HG1 GLU 99 208.065 -7.786 -11.176 854 H HIS 100 HN HIS 100 204.270 -7.335 -7.456 855 HA HIS 100 HA HIS 100 204.790 -9.009 -5.151 856 1HB HIS 100 HB2 HIS 100 205.409 -6.060 -5.072 857 2HB HIS 100 HB1 HIS 100 205.278 -7.085 -3.649 858 HD1 HIS 100 HD1 HIS 100 207.285 -8.471 -3.025 859 HD2 HIS 100 HD2 HIS 100 207.664 -6.675 -6.752 860 HE1 HIS 100 HE1 HIS 100 209.672 -8.854 -3.715 861 HE2 HIS 100 HE2 HIS 100 209.902 -7.683 -5.935 862 H HIS 101 HN HIS 101 202.715 -6.870 -6.835 863 HA HIS 101 HA HIS 101 200.991 -6.049 -4.820 864 1HB HIS 101 HB2 HIS 101 199.500 -5.444 -6.473 865 2HB HIS 101 HB1 HIS 101 200.986 -5.542 -7.397 866 HD1 HIS 101 HD1 HIS 101 197.712 -7.283 -6.879 867 HD2 HIS 101 HD2 HIS 101 201.053 -7.569 -9.332 868 HE1 HIS 101 HE1 HIS 101 197.073 -8.891 -8.704 869 HE2 HIS 101 HE2 HIS 101 199.080 -8.980 -10.223 870 H GLU 102 HN GLU 102 200.251 -7.325 -3.272 871 HA GLU 102 HA GLU 102 199.698 -10.104 -3.675 872 1HB GLU 102 HB2 GLU 102 199.055 -8.348 -1.299 873 2HB GLU 102 HB1 GLU 102 199.048 -10.106 -1.320 874 1HG GLU 102 HG2 GLU 102 201.088 -9.735 -0.397 875 2HG GLU 102 HG1 GLU 102 201.536 -9.773 -2.102 876 H GLU 103 HN GLU 103 198.115 -9.758 -5.428 877 HA GLU 103 HA GLU 103 196.002 -9.684 -6.269 878 1HB GLU 103 HB2 GLU 103 195.975 -11.218 -3.890 879 2HB GLU 103 HB1 GLU 103 194.490 -10.278 -3.914 880 1HG GLU 103 HG2 GLU 103 195.457 -12.005 -6.175 881 2HG GLU 103 HG1 GLU 103 194.275 -12.504 -4.964 882 H ASP 104 HN ASP 104 193.544 -9.020 -5.120 883 HA ASP 104 HA ASP 104 192.231 -7.174 -4.910 884 1HB ASP 104 HB2 ASP 104 193.641 -5.669 -2.965 885 2HB ASP 104 HB1 ASP 104 192.269 -6.743 -2.725 886 H PHE 105 HN PHE 105 194.563 -6.996 -6.791 887 HA PHE 105 HA PHE 105 195.749 -5.453 -8.001 888 1HB PHE 105 HB2 PHE 105 193.072 -4.115 -7.615 889 2HB PHE 105 HB1 PHE 105 194.294 -3.517 -8.731 890 HD1 PHE 105 HD1 PHE 105 195.229 -5.373 -10.384 891 HD2 PHE 105 HD2 PHE 105 191.444 -5.500 -8.441 892 HE1 PHE 105 HE1 PHE 105 194.394 -6.907 -12.117 893 HE2 PHE 105 HE2 PHE 105 190.604 -7.034 -10.169 894 HZ PHE 105 HZ PHE 105 192.080 -7.739 -12.012 895 H PHE 106 HN PHE 106 196.087 -5.224 -5.077 896 HA PHE 106 HA PHE 106 196.772 -2.372 -4.907 897 1HB PHE 106 HB2 PHE 106 195.462 -4.180 -3.008 898 2HB PHE 106 HB1 PHE 106 196.787 -3.259 -2.305 899 HD1 PHE 106 HD1 PHE 106 195.461 -1.898 -0.875 900 HD2 PHE 106 HD2 PHE 106 194.681 -2.044 -5.056 901 HE1 PHE 106 HE1 PHE 106 193.987 0.062 -0.661 902 HE2 PHE 106 HE2 PHE 106 193.204 -0.074 -4.847 903 HZ PHE 106 HZ PHE 106 192.857 0.974 -2.648 904 H LEU 107 HN LEU 107 198.593 -1.920 -3.399 905 HA LEU 107 HA LEU 107 200.647 -4.017 -3.403 906 1HB LEU 107 HB2 LEU 107 200.863 -2.449 -5.361 907 2HB LEU 107 HB1 LEU 107 201.169 -1.162 -4.211 908 HG LEU 107 HG LEU 107 203.267 -1.885 -5.109 909 1HD1 LEU 107 HD11 LEU 107 204.476 -2.502 -3.135 910 2HD1 LEU 107 HD12 LEU 107 203.008 -3.100 -2.364 911 3HD1 LEU 107 HD13 LEU 107 203.194 -1.377 -2.694 912 1HD2 LEU 107 HD21 LEU 107 203.081 -4.639 -4.047 913 2HD2 LEU 107 HD22 LEU 107 203.884 -4.030 -5.493 914 3HD2 LEU 107 HD23 LEU 107 202.139 -4.291 -5.496 915 H TYR 108 HN TYR 108 200.152 -4.179 -1.143 916 HA TYR 108 HA TYR 108 200.500 -1.875 0.537 917 1HB TYR 108 HB2 TYR 108 199.500 -3.099 2.164 918 2HB TYR 108 HB1 TYR 108 199.044 -4.121 0.810 919 HD1 TYR 108 HD1 TYR 108 201.449 -5.670 0.270 920 HD2 TYR 108 HD2 TYR 108 199.780 -4.400 3.951 921 HE1 TYR 108 HE1 TYR 108 202.508 -7.590 1.390 922 HE2 TYR 108 HE2 TYR 108 200.839 -6.310 5.107 923 HH TYR 108 HH TYR 108 201.955 -8.954 3.621 924 H ILE 109 HN ILE 109 202.173 -1.300 1.772 925 HA ILE 109 HA ILE 109 204.629 -2.916 1.718 926 HB ILE 109 HB ILE 109 204.382 -0.007 0.958 927 1HG1 ILE 109 HG12 ILE 109 204.809 -2.542 -0.571 928 2HG1 ILE 109 HG11 ILE 109 203.725 -1.200 -0.909 929 1HG2 ILE 109 HG21 ILE 109 206.841 -0.208 0.442 930 2HG2 ILE 109 HG22 ILE 109 206.827 -1.726 1.339 931 3HG2 ILE 109 HG23 ILE 109 206.423 -0.214 2.153 932 1HD1 ILE 109 HD11 ILE 109 206.544 -1.594 -1.644 933 2HD1 ILE 109 HD12 ILE 109 206.077 0.044 -1.188 934 3HD1 ILE 109 HD13 ILE 109 205.243 -0.774 -2.511 935 H ALA 110 HN ALA 110 206.318 -1.989 3.223 936 HA ALA 110 HA ALA 110 205.156 -0.543 5.515 937 1HB ALA 110 HB1 ALA 110 205.188 -2.835 6.188 938 2HB ALA 110 HB2 ALA 110 206.502 -2.002 7.017 939 3HB ALA 110 HB3 ALA 110 206.848 -3.030 5.627 940 H TYR 111 HN TYR 111 206.803 0.381 6.942 941 HA TYR 111 HA TYR 111 209.417 0.873 5.723 942 1HB TYR 111 HB2 TYR 111 209.225 3.259 5.760 943 2HB TYR 111 HB1 TYR 111 207.838 2.632 4.876 944 HD1 TYR 111 HD1 TYR 111 208.919 4.043 8.095 945 HD2 TYR 111 HD2 TYR 111 205.636 3.064 5.620 946 HE1 TYR 111 HE1 TYR 111 207.441 5.299 9.601 947 HE2 TYR 111 HE2 TYR 111 204.122 4.312 7.098 948 HH TYR 111 HH TYR 111 205.346 6.048 9.943 949 H SER 112 HN SER 112 210.973 0.869 7.221 950 HA SER 112 HA SER 112 210.298 1.503 10.026 951 1HB SER 112 HB2 SER 112 210.548 -0.684 10.485 952 2HB SER 112 HB1 SER 112 211.262 -1.027 8.913 953 HG SER 112 HG SER 112 212.506 -0.254 11.311 954 H ASP 113 HN ASP 113 212.309 1.903 11.343 955 HA ASP 113 HA ASP 113 214.069 3.635 9.810 956 1HB ASP 113 HB2 ASP 113 213.062 4.449 11.914 957 2HB ASP 113 HB1 ASP 113 213.919 3.188 12.798 958 H GLU 114 HN GLU 114 214.129 0.495 10.140 959 HA GLU 114 HA GLU 114 217.057 0.363 10.343 960 1HB GLU 114 HB2 GLU 114 215.167 -1.684 11.517 961 2HB GLU 114 HB1 GLU 114 216.924 -1.731 11.570 962 1HG GLU 114 HG2 GLU 114 216.315 0.710 12.693 963 2HG GLU 114 HG1 GLU 114 215.040 -0.351 13.291 964 H SER 115 HN SER 115 217.779 -1.917 9.531 965 HA SER 115 HA SER 115 216.727 -2.147 6.856 966 1HB SER 115 HB2 SER 115 218.537 -3.840 6.546 967 2HB SER 115 HB1 SER 115 219.124 -2.279 7.125 968 HG SER 115 HG SER 115 219.650 -3.154 8.993 969 H VAL 116 HN VAL 116 215.605 -3.365 9.651 970 HA VAL 116 HA VAL 116 214.730 -5.876 8.418 971 HB VAL 116 HB VAL 116 213.947 -5.837 11.139 972 1HG1 VAL 116 HG11 VAL 116 215.550 -7.754 11.294 973 2HG1 VAL 116 HG12 VAL 116 216.072 -7.372 9.654 974 3HG1 VAL 116 HG13 VAL 116 214.404 -7.854 9.958 975 1HG2 VAL 116 HG21 VAL 116 216.241 -5.754 12.211 976 2HG2 VAL 116 HG22 VAL 116 215.545 -4.202 11.745 977 3HG2 VAL 116 HG23 VAL 116 216.796 -4.943 10.747 978 H TYR 117 HN TYR 117 212.480 -6.389 8.706 979 HA TYR 117 HA TYR 117 210.756 -4.260 8.129 980 1HB TYR 117 HB2 TYR 117 210.077 -6.416 7.411 981 2HB TYR 117 HB1 TYR 117 210.243 -7.094 9.030 982 HD1 TYR 117 HD1 TYR 117 208.496 -4.071 7.729 983 HD2 TYR 117 HD2 TYR 117 208.173 -7.772 9.792 984 HE1 TYR 117 HE1 TYR 117 206.130 -3.606 8.171 985 HE2 TYR 117 HE2 TYR 117 205.801 -7.323 10.239 986 HH TYR 117 HH TYR 117 204.090 -4.769 8.708 987 H GLY 118 HN GLY 118 211.588 -2.883 9.978 988 1HA GLY 118 HA2 GLY 118 211.099 -1.755 11.918 989 2HA GLY 118 HA1 GLY 118 209.574 -2.631 11.943 990 H LEU 119 HN LEU 119 209.853 -5.006 12.535 991 HA LEU 119 HA LEU 119 210.222 -5.570 15.039 992 1HB LEU 119 HB2 LEU 119 211.178 -7.167 12.686 993 2HB LEU 119 HB1 LEU 119 211.274 -7.807 14.320 994 HG LEU 119 HG LEU 119 208.633 -6.732 13.727 995 1HD1 LEU 119 HD11 LEU 119 209.674 -7.811 11.498 996 2HD1 LEU 119 HD12 LEU 119 207.968 -7.928 11.928 997 3HD1 LEU 119 HD13 LEU 119 209.060 -9.268 12.279 998 1HD2 LEU 119 HD21 LEU 119 209.267 -8.156 15.647 999 2HD2 LEU 119 HD22 LEU 119 209.524 -9.494 14.527 1000 3HD2 LEU 119 HD23 LEU 119 207.915 -8.795 14.710 Start of MODEL 8 1 1H GLY 1 HT1 GLY 1 205.385 -14.342 6.387 2 2H GLY 1 HT2 GLY 1 206.376 -15.356 7.310 3 3H GLY 1 HT3 GLY 1 206.914 -14.784 5.812 4 1HA GLY 1 HA1 GLY 1 207.979 -13.585 7.619 5 2HA GLY 1 HA2 GLY 1 206.980 -12.529 6.633 6 H SER 2 HN SER 2 207.372 -11.338 8.807 7 HA SER 2 HA SER 2 205.019 -11.856 10.494 8 1HB SER 2 HB2 SER 2 207.417 -10.657 11.782 9 2HB SER 2 HB1 SER 2 206.197 -11.738 12.455 10 HG SER 2 HG SER 2 207.190 -13.400 11.100 11 H MET 3 HN MET 3 204.022 -10.245 9.099 12 HA MET 3 HA MET 3 204.917 -7.509 9.698 13 1HB MET 3 HB2 MET 3 203.621 -8.723 7.299 14 2HB MET 3 HB1 MET 3 203.291 -7.035 7.669 15 1HG MET 3 HG2 MET 3 205.929 -6.943 7.848 16 2HG MET 3 HG1 MET 3 205.798 -8.329 6.765 17 1HE MET 3 HE1 MET 3 204.888 -4.663 7.426 18 2HE MET 3 HE2 MET 3 205.059 -3.947 5.825 19 3HE MET 3 HE3 MET 3 206.467 -4.641 6.637 20 H LYS 4 HN LYS 4 203.452 -5.979 10.413 21 HA LYS 4 HA LYS 4 200.773 -6.975 11.127 22 1HB LYS 4 HB2 LYS 4 202.838 -5.653 12.820 23 2HB LYS 4 HB1 LYS 4 201.155 -5.234 13.108 24 1HG LYS 4 HG2 LYS 4 201.288 -6.976 14.531 25 2HG LYS 4 HG1 LYS 4 200.923 -7.894 13.069 26 1HD LYS 4 HD2 LYS 4 203.501 -7.948 12.766 27 2HD LYS 4 HD1 LYS 4 203.538 -7.546 14.484 28 1HE LYS 4 HE2 LYS 4 203.663 -9.994 13.971 29 2HE LYS 4 HE1 LYS 4 202.354 -9.529 15.055 30 1HZ LYS 4 HZ1 LYS 4 200.784 -10.051 13.535 31 2HZ LYS 4 HZ2 LYS 4 201.985 -11.103 12.975 32 3HZ LYS 4 HZ3 LYS 4 201.739 -9.616 12.207 33 H PHE 5 HN PHE 5 199.171 -5.768 10.355 34 HA PHE 5 HA PHE 5 199.711 -2.940 9.727 35 1HB PHE 5 HB2 PHE 5 198.519 -5.089 8.044 36 2HB PHE 5 HB1 PHE 5 197.846 -3.470 7.895 37 HD1 PHE 5 HD1 PHE 5 198.660 -2.285 6.122 38 HD2 PHE 5 HD2 PHE 5 201.260 -4.955 8.172 39 HE1 PHE 5 HE1 PHE 5 200.489 -1.670 4.594 40 HE2 PHE 5 HE2 PHE 5 203.090 -4.342 6.652 41 HZ PHE 5 HZ PHE 5 202.710 -2.701 4.860 42 H VAL 6 HN VAL 6 197.345 -1.980 9.073 43 HA VAL 6 HA VAL 6 195.323 -2.879 10.953 44 HB VAL 6 HB VAL 6 195.142 -0.205 11.453 45 1HG1 VAL 6 HG11 VAL 6 194.997 -2.097 13.048 46 2HG1 VAL 6 HG12 VAL 6 195.899 -0.716 13.676 47 3HG1 VAL 6 HG13 VAL 6 196.761 -2.143 13.099 48 1HG2 VAL 6 HG21 VAL 6 198.039 -0.619 11.928 49 2HG2 VAL 6 HG22 VAL 6 197.139 0.868 11.626 50 3HG2 VAL 6 HG23 VAL 6 197.535 -0.210 10.289 51 H TYR 7 HN TYR 7 196.030 -0.020 8.898 52 HA TYR 7 HA TYR 7 193.352 0.301 8.069 53 1HB TYR 7 HB2 TYR 7 195.163 2.043 7.827 54 2HB TYR 7 HB1 TYR 7 195.799 1.105 6.479 55 HD1 TYR 7 HD1 TYR 7 195.109 1.657 4.336 56 HD2 TYR 7 HD2 TYR 7 192.587 2.623 7.629 57 HE1 TYR 7 HE1 TYR 7 193.556 2.798 2.810 58 HE2 TYR 7 HE2 TYR 7 191.030 3.763 6.110 59 HH TYR 7 HH TYR 7 190.911 3.342 2.940 60 H LYS 8 HN LYS 8 196.133 -1.257 6.514 61 HA LYS 8 HA LYS 8 194.567 -2.295 4.347 62 1HB LYS 8 HB2 LYS 8 197.137 -1.764 4.450 63 2HB LYS 8 HB1 LYS 8 197.254 -3.387 5.115 64 1HG LYS 8 HG2 LYS 8 195.709 -3.032 2.608 65 2HG LYS 8 HG1 LYS 8 197.468 -2.921 2.529 66 1HD LYS 8 HD2 LYS 8 197.608 -5.121 3.668 67 2HD LYS 8 HD1 LYS 8 195.849 -5.231 3.601 68 1HE LYS 8 HE2 LYS 8 195.859 -5.317 1.230 69 2HE LYS 8 HE1 LYS 8 197.559 -4.863 1.153 70 1HZ LYS 8 HZ1 LYS 8 196.682 -7.375 0.998 71 2HZ LYS 8 HZ2 LYS 8 196.987 -7.272 2.659 72 3HZ LYS 8 HZ3 LYS 8 198.225 -6.955 1.550 73 H GLU 9 HN GLU 9 195.577 -3.370 7.501 74 HA GLU 9 HA GLU 9 194.954 -6.123 7.114 75 1HB GLU 9 HB2 GLU 9 196.427 -4.809 8.939 76 2HB GLU 9 HB1 GLU 9 194.939 -5.011 9.850 77 1HG GLU 9 HG2 GLU 9 196.479 -7.238 8.542 78 2HG GLU 9 HG1 GLU 9 196.570 -6.805 10.248 79 H GLU 10 HN GLU 10 193.260 -3.303 8.257 80 HA GLU 10 HA GLU 10 191.001 -4.754 9.277 81 1HB GLU 10 HB2 GLU 10 191.539 -1.831 8.766 82 2HB GLU 10 HB1 GLU 10 189.975 -2.411 9.322 83 1HG GLU 10 HG2 GLU 10 192.188 -3.424 10.913 84 2HG GLU 10 HG1 GLU 10 192.084 -1.664 10.908 85 H HIS 11 HN HIS 11 191.456 -2.525 6.525 86 HA HIS 11 HA HIS 11 188.973 -2.830 5.335 87 1HB HIS 11 HB2 HIS 11 191.698 -2.248 4.206 88 2HB HIS 11 HB1 HIS 11 190.291 -2.366 3.155 89 HD1 HIS 11 HD1 HIS 11 190.283 -0.748 6.568 90 HD2 HIS 11 HD2 HIS 11 190.042 0.305 2.556 91 HE1 HIS 11 HE1 HIS 11 189.700 1.698 6.549 92 HE2 HIS 11 HE2 HIS 11 189.642 2.332 4.111 93 HA PRO 12 HA PRO 12 189.030 -7.339 4.680 94 1HB PRO 12 HB2 PRO 12 186.879 -6.628 2.811 95 2HB PRO 12 HB1 PRO 12 186.860 -7.742 4.175 96 1HG PRO 12 HG2 PRO 12 185.801 -5.129 4.101 97 2HG PRO 12 HG1 PRO 12 185.966 -6.172 5.519 98 1HD PRO 12 HD2 PRO 12 187.355 -3.763 4.988 99 2HD PRO 12 HD1 PRO 12 187.650 -4.904 6.310 100 H PHE 13 HN PHE 13 188.916 -8.698 2.646 101 HA PHE 13 HA PHE 13 190.905 -7.815 0.840 102 1HB PHE 13 HB2 PHE 13 190.249 -10.238 1.534 103 2HB PHE 13 HB1 PHE 13 189.073 -10.112 0.229 104 HD1 PHE 13 HD1 PHE 13 190.234 -8.989 -1.995 105 HD2 PHE 13 HD2 PHE 13 192.168 -11.339 0.985 106 HE1 PHE 13 HE1 PHE 13 191.974 -9.606 -3.614 107 HE2 PHE 13 HE2 PHE 13 193.913 -11.960 -0.634 108 HZ PHE 13 HZ PHE 13 193.820 -11.093 -2.937 109 H GLU 14 HN GLU 14 187.423 -8.423 0.414 110 HA GLU 14 HA GLU 14 187.173 -7.729 -2.241 111 1HB GLU 14 HB2 GLU 14 185.391 -7.900 0.067 112 2HB GLU 14 HB1 GLU 14 184.864 -6.709 -1.113 113 1HG GLU 14 HG2 GLU 14 184.023 -8.315 -2.368 114 2HG GLU 14 HG1 GLU 14 185.623 -9.039 -2.527 115 H LYS 15 HN LYS 15 187.708 -5.695 0.506 116 HA LYS 15 HA LYS 15 186.971 -3.241 -0.779 117 1HB LYS 15 HB2 LYS 15 188.736 -3.568 1.646 118 2HB LYS 15 HB1 LYS 15 187.772 -2.167 1.199 119 1HG LYS 15 HG2 LYS 15 186.303 -4.694 1.579 120 2HG LYS 15 HG1 LYS 15 187.006 -3.959 3.017 121 1HD LYS 15 HD2 LYS 15 185.923 -1.792 2.225 122 2HD LYS 15 HD1 LYS 15 184.990 -2.809 1.122 123 1HE LYS 15 HE2 LYS 15 185.108 -3.260 4.095 124 2HE LYS 15 HE1 LYS 15 183.879 -2.261 3.320 125 1HZ LYS 15 HZ1 LYS 15 182.831 -4.053 2.470 126 2HZ LYS 15 HZ2 LYS 15 183.560 -4.846 3.774 127 3HZ LYS 15 HZ3 LYS 15 184.254 -4.936 2.234 128 H ARG 16 HN ARG 16 190.059 -4.772 0.111 129 HA ARG 16 HA ARG 16 191.707 -2.823 -1.093 130 1HB ARG 16 HB2 ARG 16 192.337 -5.752 -0.680 131 2HB ARG 16 HB1 ARG 16 193.497 -4.446 -0.883 132 1HG ARG 16 HG2 ARG 16 192.966 -3.526 1.236 133 2HG ARG 16 HG1 ARG 16 191.557 -4.574 1.410 134 1HD ARG 16 HD2 ARG 16 193.882 -6.178 0.953 135 2HD ARG 16 HD1 ARG 16 194.204 -5.049 2.268 136 HE ARG 16 HE ARG 16 191.721 -6.151 2.774 137 1HH1 ARG 16 HH11 ARG 16 195.002 -7.291 2.441 138 2HH1 ARG 16 HH12 ARG 16 194.781 -8.624 3.524 139 1HH2 ARG 16 HH21 ARG 16 191.428 -7.904 4.199 140 2HH2 ARG 16 HH22 ARG 16 192.752 -8.972 4.522 141 H ARG 17 HN ARG 17 190.121 -5.707 -2.278 142 HA ARG 17 HA ARG 17 191.441 -5.739 -4.817 143 1HB ARG 17 HB2 ARG 17 190.441 -7.759 -3.777 144 2HB ARG 17 HB1 ARG 17 188.846 -7.051 -3.989 145 1HG ARG 17 HG2 ARG 17 189.104 -7.098 -6.392 146 2HG ARG 17 HG1 ARG 17 190.752 -7.706 -6.225 147 1HD ARG 17 HD2 ARG 17 189.942 -9.742 -5.216 148 2HD ARG 17 HD1 ARG 17 188.289 -9.127 -5.225 149 HE ARG 17 HE ARG 17 188.987 -9.040 -7.833 150 1HH1 ARG 17 HH11 ARG 17 189.126 -11.556 -5.420 151 2HH1 ARG 17 HH12 ARG 17 188.908 -12.839 -6.563 152 1HH2 ARG 17 HH21 ARG 17 188.699 -10.725 -9.339 153 2HH2 ARG 17 HH22 ARG 17 188.666 -12.367 -8.787 154 H SER 18 HN SER 18 188.156 -4.848 -3.763 155 HA SER 18 HA SER 18 187.084 -4.014 -6.129 156 1HB SER 18 HB2 SER 18 185.661 -4.044 -4.238 157 2HB SER 18 HB1 SER 18 186.712 -2.957 -3.331 158 HG SER 18 HG SER 18 185.702 -1.335 -4.189 159 H GLU 19 HN GLU 19 188.627 -1.816 -3.780 160 HA GLU 19 HA GLU 19 188.706 0.450 -5.358 161 1HB GLU 19 HB2 GLU 19 189.749 -0.374 -2.868 162 2HB GLU 19 HB1 GLU 19 191.085 0.323 -3.771 163 1HG GLU 19 HG2 GLU 19 190.073 2.398 -3.913 164 2HG GLU 19 HG1 GLU 19 188.469 1.746 -3.577 165 H GLY 20 HN GLY 20 191.277 -1.980 -4.937 166 1HA GLY 20 HA2 GLY 20 193.113 -0.855 -6.720 167 2HA GLY 20 HA1 GLY 20 193.047 -2.554 -6.280 168 H GLU 21 HN GLU 21 190.468 -3.123 -7.310 169 HA GLU 21 HA GLU 21 191.115 -3.722 -9.964 170 1HB GLU 21 HB2 GLU 21 189.600 -5.127 -8.825 171 2HB GLU 21 HB1 GLU 21 188.526 -3.791 -8.437 172 1HG GLU 21 HG2 GLU 21 187.670 -3.691 -10.564 173 2HG GLU 21 HG1 GLU 21 189.072 -4.483 -11.276 174 H LYS 22 HN LYS 22 189.866 -0.862 -8.563 175 HA LYS 22 HA LYS 22 188.773 0.064 -11.111 176 1HB LYS 22 HB2 LYS 22 187.251 0.698 -9.509 177 2HB LYS 22 HB1 LYS 22 188.475 0.895 -8.265 178 1HG LYS 22 HG2 LYS 22 188.498 2.812 -10.527 179 2HG LYS 22 HG1 LYS 22 187.196 2.949 -9.343 180 1HD LYS 22 HD2 LYS 22 189.466 2.620 -7.791 181 2HD LYS 22 HD1 LYS 22 190.009 3.655 -9.113 182 1HE LYS 22 HE2 LYS 22 187.413 4.442 -8.059 183 2HE LYS 22 HE1 LYS 22 188.682 4.473 -6.836 184 1HZ LYS 22 HZ1 LYS 22 190.015 5.824 -8.409 185 2HZ LYS 22 HZ2 LYS 22 188.600 6.591 -7.890 186 3HZ LYS 22 HZ3 LYS 22 188.672 5.906 -9.435 187 H ILE 23 HN ILE 23 191.103 1.026 -8.627 188 HA ILE 23 HA ILE 23 192.196 3.248 -9.924 189 HB ILE 23 HB ILE 23 193.300 1.306 -7.911 190 1HG1 ILE 23 HG12 ILE 23 192.723 4.225 -7.522 191 2HG1 ILE 23 HG11 ILE 23 191.425 3.035 -7.463 192 1HG2 ILE 23 HG21 ILE 23 195.270 2.504 -7.639 193 2HG2 ILE 23 HG22 ILE 23 194.666 3.891 -8.538 194 3HG2 ILE 23 HG23 ILE 23 195.098 2.410 -9.389 195 1HD1 ILE 23 HD11 ILE 23 193.257 3.787 -5.432 196 2HD1 ILE 23 HD12 ILE 23 193.505 2.084 -5.818 197 3HD1 ILE 23 HD13 ILE 23 191.905 2.658 -5.347 198 H ARG 24 HN ARG 24 192.594 -0.149 -10.454 199 HA ARG 24 HA ARG 24 195.017 0.095 -11.997 200 1HB ARG 24 HB2 ARG 24 193.097 -2.189 -11.525 201 2HB ARG 24 HB1 ARG 24 194.543 -2.329 -12.517 202 1HG ARG 24 HG2 ARG 24 194.640 -1.435 -9.654 203 2HG ARG 24 HG1 ARG 24 194.710 -3.135 -10.123 204 1HD ARG 24 HD2 ARG 24 196.590 -1.031 -11.172 205 2HD ARG 24 HD1 ARG 24 196.929 -2.022 -9.757 206 HE ARG 24 HE ARG 24 197.209 -3.877 -11.135 207 1HH1 ARG 24 HH11 ARG 24 196.230 -1.090 -13.002 208 2HH1 ARG 24 HH12 ARG 24 196.662 -1.803 -14.518 209 1HH2 ARG 24 HH21 ARG 24 197.774 -4.809 -13.130 210 2HH2 ARG 24 HH22 ARG 24 197.536 -3.912 -14.592 211 H LYS 25 HN LYS 25 191.591 -0.546 -12.624 212 HA LYS 25 HA LYS 25 191.820 -0.717 -15.441 213 1HB LYS 25 HB2 LYS 25 189.483 -0.060 -13.652 214 2HB LYS 25 HB1 LYS 25 189.351 -0.434 -15.370 215 1HG LYS 25 HG2 LYS 25 190.184 -2.661 -14.994 216 2HG LYS 25 HG1 LYS 25 190.495 -2.291 -13.295 217 1HD LYS 25 HD2 LYS 25 188.450 -3.533 -13.422 218 2HD LYS 25 HD1 LYS 25 188.045 -1.861 -13.027 219 1HE LYS 25 HE2 LYS 25 186.579 -2.011 -14.711 220 2HE LYS 25 HE1 LYS 25 187.986 -1.839 -15.760 221 1HZ LYS 25 HZ1 LYS 25 187.202 -3.751 -16.614 222 2HZ LYS 25 HZ2 LYS 25 186.358 -4.179 -15.213 223 3HZ LYS 25 HZ3 LYS 25 188.022 -4.458 -15.314 224 H LYS 26 HN LYS 26 191.104 1.893 -13.199 225 HA LYS 26 HA LYS 26 190.564 3.809 -15.244 226 1HB LYS 26 HB2 LYS 26 189.857 3.679 -12.680 227 2HB LYS 26 HB1 LYS 26 191.287 4.689 -12.513 228 1HG LYS 26 HG2 LYS 26 190.385 6.363 -13.905 229 2HG LYS 26 HG1 LYS 26 189.084 5.299 -14.453 230 1HD LYS 26 HD2 LYS 26 187.815 5.724 -12.654 231 2HD LYS 26 HD1 LYS 26 189.192 5.671 -11.553 232 1HE LYS 26 HE2 LYS 26 189.469 7.897 -11.602 233 2HE LYS 26 HE1 LYS 26 189.182 7.988 -13.340 234 1HZ LYS 26 HZ1 LYS 26 187.289 8.219 -11.127 235 2HZ LYS 26 HZ2 LYS 26 186.734 7.485 -12.546 236 3HZ LYS 26 HZ3 LYS 26 187.346 9.061 -12.594 237 H TYR 27 HN TYR 27 193.265 2.987 -13.158 238 HA TYR 27 HA TYR 27 194.974 4.739 -14.798 239 1HB TYR 27 HB2 TYR 27 195.841 4.176 -12.018 240 2HB TYR 27 HB1 TYR 27 196.035 5.634 -12.983 241 HD1 TYR 27 HD1 TYR 27 194.852 4.771 -10.028 242 HD2 TYR 27 HD2 TYR 27 193.311 6.399 -13.640 243 HE1 TYR 27 HE1 TYR 27 193.026 5.825 -8.763 244 HE2 TYR 27 HE2 TYR 27 191.481 7.461 -12.388 245 HH TYR 27 HH TYR 27 190.281 6.914 -10.064 246 HA PRO 28 HA PRO 28 196.676 0.531 -15.245 247 1HB PRO 28 HB2 PRO 28 197.649 1.483 -17.816 248 2HB PRO 28 HB1 PRO 28 196.472 0.214 -17.476 249 1HG PRO 28 HG2 PRO 28 195.798 2.581 -18.624 250 2HG PRO 28 HG1 PRO 28 194.688 1.654 -17.600 251 1HD PRO 28 HD2 PRO 28 196.357 4.043 -16.905 252 2HD PRO 28 HD1 PRO 28 194.673 3.678 -16.467 253 H ASP 29 HN ASP 29 198.128 3.664 -15.382 254 HA ASP 29 HA ASP 29 200.830 2.558 -15.453 255 1HB ASP 29 HB2 ASP 29 199.867 5.425 -15.433 256 2HB ASP 29 HB1 ASP 29 201.551 4.925 -15.560 257 H ARG 30 HN ARG 30 198.513 3.673 -13.181 258 HA ARG 30 HA ARG 30 200.533 4.205 -11.135 259 1HB ARG 30 HB2 ARG 30 197.524 4.465 -11.124 260 2HB ARG 30 HB1 ARG 30 198.541 4.805 -9.733 261 1HG ARG 30 HG2 ARG 30 199.572 6.264 -11.927 262 2HG ARG 30 HG1 ARG 30 197.826 6.512 -11.880 263 1HD ARG 30 HD2 ARG 30 198.043 7.036 -9.454 264 2HD ARG 30 HD1 ARG 30 199.795 6.973 -9.651 265 HE ARG 30 HE ARG 30 198.070 9.123 -10.360 266 1HH1 ARG 30 HH11 ARG 30 201.004 7.487 -11.312 267 2HH1 ARG 30 HH12 ARG 30 201.673 8.879 -12.094 268 1HH2 ARG 30 HH21 ARG 30 198.952 10.955 -11.387 269 2HH2 ARG 30 HH22 ARG 30 200.510 10.848 -12.135 270 H VAL 31 HN VAL 31 200.358 3.192 -9.021 271 HA VAL 31 HA VAL 31 199.045 0.567 -9.052 272 HB VAL 31 HB VAL 31 200.920 -0.490 -7.938 273 1HG1 VAL 31 HG11 VAL 31 201.904 -1.009 -9.871 274 2HG1 VAL 31 HG12 VAL 31 202.424 0.652 -10.161 275 3HG1 VAL 31 HG13 VAL 31 200.787 0.152 -10.590 276 1HG2 VAL 31 HG21 VAL 31 202.356 0.751 -6.783 277 2HG2 VAL 31 HG22 VAL 31 201.839 2.228 -7.605 278 3HG2 VAL 31 HG23 VAL 31 203.091 1.213 -8.321 279 HA PRO 32 HA PRO 32 197.450 2.435 -5.271 280 1HB PRO 32 HB2 PRO 32 195.963 0.234 -4.549 281 2HB PRO 32 HB1 PRO 32 195.406 1.487 -5.664 282 1HG PRO 32 HG2 PRO 32 196.573 -1.198 -6.259 283 2HG PRO 32 HG1 PRO 32 195.227 -0.363 -7.052 284 1HD PRO 32 HD2 PRO 32 197.683 -0.466 -8.141 285 2HD PRO 32 HD1 PRO 32 196.639 0.957 -8.324 286 H VAL 33 HN VAL 33 198.985 2.547 -3.730 287 HA VAL 33 HA VAL 33 200.048 0.028 -2.657 288 HB VAL 33 HB VAL 33 201.267 2.788 -2.659 289 1HG1 VAL 33 HG11 VAL 33 203.247 1.746 -1.659 290 2HG1 VAL 33 HG12 VAL 33 202.367 0.231 -1.501 291 3HG1 VAL 33 HG13 VAL 33 201.844 1.649 -0.595 292 1HG2 VAL 33 HG21 VAL 33 201.316 1.600 -4.816 293 2HG2 VAL 33 HG22 VAL 33 202.148 0.246 -4.043 294 3HG2 VAL 33 HG23 VAL 33 202.928 1.828 -4.141 295 H ILE 34 HN ILE 34 200.243 -0.292 -0.458 296 HA ILE 34 HA ILE 34 198.772 1.589 1.261 297 HB ILE 34 HB ILE 34 198.895 -1.383 1.795 298 1HG1 ILE 34 HG12 ILE 34 197.748 -1.062 -0.341 299 2HG1 ILE 34 HG11 ILE 34 196.568 -1.449 0.911 300 1HG2 ILE 34 HG21 ILE 34 196.739 -0.614 3.049 301 2HG2 ILE 34 HG22 ILE 34 197.476 0.980 2.939 302 3HG2 ILE 34 HG23 ILE 34 198.326 -0.327 3.768 303 1HD1 ILE 34 HD11 ILE 34 197.138 1.409 0.325 304 2HD1 ILE 34 HD12 ILE 34 195.650 0.642 0.886 305 3HD1 ILE 34 HD13 ILE 34 196.144 0.485 -0.801 306 H VAL 35 HN VAL 35 200.934 2.516 1.474 307 HA VAL 35 HA VAL 35 203.090 1.180 2.669 308 HB VAL 35 HB VAL 35 202.417 4.111 2.921 309 1HG1 VAL 35 HG11 VAL 35 204.143 3.856 4.398 310 2HG1 VAL 35 HG12 VAL 35 205.050 4.111 2.905 311 3HG1 VAL 35 HG13 VAL 35 204.826 2.476 3.532 312 1HG2 VAL 35 HG21 VAL 35 204.025 2.672 0.815 313 2HG2 VAL 35 HG22 VAL 35 203.835 4.420 0.951 314 3HG2 VAL 35 HG23 VAL 35 202.439 3.406 0.586 315 H GLU 36 HN GLU 36 203.894 1.269 4.828 316 HA GLU 36 HA GLU 36 202.005 2.006 6.933 317 1HB GLU 36 HB2 GLU 36 202.300 -0.641 6.032 318 2HB GLU 36 HB1 GLU 36 203.173 -0.562 7.554 319 1HG GLU 36 HG2 GLU 36 200.800 0.784 8.049 320 2HG GLU 36 HG1 GLU 36 200.335 -0.585 7.044 321 H LYS 37 HN LYS 37 202.993 2.029 9.080 322 HA LYS 37 HA LYS 37 205.869 2.584 8.902 323 1HB LYS 37 HB2 LYS 37 204.122 4.286 9.814 324 2HB LYS 37 HB1 LYS 37 204.137 3.286 11.260 325 1HG LYS 37 HG2 LYS 37 206.832 3.803 10.572 326 2HG LYS 37 HG1 LYS 37 205.955 5.331 10.480 327 1HD LYS 37 HD2 LYS 37 206.762 5.099 12.713 328 2HD LYS 37 HD1 LYS 37 205.018 4.832 12.747 329 1HE LYS 37 HE2 LYS 37 205.232 2.577 13.139 330 2HE LYS 37 HE1 LYS 37 206.838 2.503 12.415 331 1HZ LYS 37 HZ1 LYS 37 207.376 2.350 14.606 332 2HZ LYS 37 HZ2 LYS 37 206.058 3.273 15.128 333 3HZ LYS 37 HZ3 LYS 37 207.407 4.035 14.450 334 H ALA 38 HN ALA 38 206.642 0.520 9.034 335 HA ALA 38 HA ALA 38 206.057 -1.674 10.390 336 1HB ALA 38 HB1 ALA 38 208.113 -1.274 9.045 337 2HB ALA 38 HB2 ALA 38 208.369 -2.236 10.501 338 3HB ALA 38 HB3 ALA 38 208.838 -0.533 10.476 339 HA PRO 39 HA PRO 39 205.761 -1.120 14.751 340 1HB PRO 39 HB2 PRO 39 206.793 -3.546 15.545 341 2HB PRO 39 HB1 PRO 39 205.129 -3.300 14.994 342 1HG PRO 39 HG2 PRO 39 207.501 -4.305 13.490 343 2HG PRO 39 HG1 PRO 39 205.827 -4.878 13.448 344 1HD PRO 39 HD2 PRO 39 206.835 -3.343 11.510 345 2HD PRO 39 HD1 PRO 39 205.151 -3.167 12.048 346 H LYS 40 HN LYS 40 207.025 -0.551 16.496 347 HA LYS 40 HA LYS 40 208.858 0.057 17.680 348 1HB LYS 40 HB2 LYS 40 210.110 -2.146 16.049 349 2HB LYS 40 HB1 LYS 40 210.970 -1.276 17.312 350 1HG LYS 40 HG2 LYS 40 210.210 -3.206 18.363 351 2HG LYS 40 HG1 LYS 40 209.050 -1.967 18.847 352 1HD LYS 40 HD2 LYS 40 207.427 -2.761 17.306 353 2HD LYS 40 HD1 LYS 40 208.599 -3.810 16.506 354 1HE LYS 40 HE2 LYS 40 208.690 -5.277 18.357 355 2HE LYS 40 HE1 LYS 40 207.848 -4.132 19.399 356 1HZ LYS 40 HZ1 LYS 40 206.234 -5.680 18.835 357 2HZ LYS 40 HZ2 LYS 40 206.745 -5.797 17.226 358 3HZ LYS 40 HZ3 LYS 40 205.932 -4.412 17.756 359 H ALA 41 HN ALA 41 208.697 0.553 14.341 360 HA ALA 41 HA ALA 41 211.133 1.585 13.624 361 1HB ALA 41 HB1 ALA 41 210.073 2.673 11.869 362 2HB ALA 41 HB2 ALA 41 208.607 2.962 12.802 363 3HB ALA 41 HB3 ALA 41 208.981 1.332 12.225 364 H ARG 42 HN ARG 42 212.194 3.454 13.988 365 HA ARG 42 HA ARG 42 211.263 5.103 16.192 366 1HB ARG 42 HB2 ARG 42 213.915 5.367 14.787 367 2HB ARG 42 HB1 ARG 42 213.496 5.872 16.418 368 1HG ARG 42 HG2 ARG 42 213.747 3.784 17.283 369 2HG ARG 42 HG1 ARG 42 213.288 2.984 15.778 370 1HD ARG 42 HD2 ARG 42 215.401 2.956 14.999 371 2HD ARG 42 HD1 ARG 42 215.771 4.552 15.652 372 HE ARG 42 HE ARG 42 216.247 2.007 16.905 373 1HH1 ARG 42 HH11 ARG 42 215.771 5.422 17.446 374 2HH1 ARG 42 HH12 ARG 42 216.598 5.424 18.967 375 1HH2 ARG 42 HH21 ARG 42 217.334 2.007 18.906 376 2HH2 ARG 42 HH22 ARG 42 217.487 3.485 19.796 377 H ILE 43 HN ILE 43 209.912 5.318 13.784 378 HA ILE 43 HA ILE 43 210.522 8.088 12.982 379 HB ILE 43 HB ILE 43 209.287 7.297 10.818 380 1HG1 ILE 43 HG12 ILE 43 210.470 4.721 11.865 381 2HG1 ILE 43 HG11 ILE 43 208.752 5.062 11.680 382 1HG2 ILE 43 HG21 ILE 43 211.614 6.433 9.999 383 2HG2 ILE 43 HG22 ILE 43 212.141 6.955 11.599 384 3HG2 ILE 43 HG23 ILE 43 211.411 8.115 10.489 385 1HD1 ILE 43 HD11 ILE 43 208.951 4.070 9.715 386 2HD1 ILE 43 HD12 ILE 43 210.710 4.204 9.722 387 3HD1 ILE 43 HD13 ILE 43 209.727 5.564 9.185 388 H GLY 44 HN GLY 44 208.579 9.124 11.929 389 1HA GLY 44 HA2 GLY 44 206.418 9.083 13.798 390 2HA GLY 44 HA1 GLY 44 206.515 10.062 12.342 391 H ASP 45 HN ASP 45 204.413 8.235 13.656 392 HA ASP 45 HA ASP 45 203.953 6.131 11.785 393 1HB ASP 45 HB2 ASP 45 201.833 5.829 12.935 394 2HB ASP 45 HB1 ASP 45 203.117 6.078 14.114 395 H LEU 46 HN LEU 46 202.867 6.128 9.922 396 HA LEU 46 HA LEU 46 201.909 8.665 8.889 397 1HB LEU 46 HB2 LEU 46 203.031 6.266 7.791 398 2HB LEU 46 HB1 LEU 46 201.493 6.591 7.013 399 HG LEU 46 HG LEU 46 203.405 8.849 7.271 400 1HD1 LEU 46 HD11 LEU 46 204.325 8.042 4.995 401 2HD1 LEU 46 HD12 LEU 46 203.807 6.446 5.536 402 3HD1 LEU 46 HD13 LEU 46 204.989 7.356 6.477 403 1HD2 LEU 46 HD21 LEU 46 202.460 9.197 4.917 404 2HD2 LEU 46 HD22 LEU 46 201.366 9.420 6.280 405 3HD2 LEU 46 HD23 LEU 46 201.305 7.931 5.333 406 H ASP 47 HN ASP 47 199.844 9.135 8.317 407 HA ASP 47 HA ASP 47 197.778 7.308 9.302 408 1HB ASP 47 HB2 ASP 47 197.482 9.377 10.302 409 2HB ASP 47 HB1 ASP 47 197.862 10.266 8.834 410 H LYS 48 HN LYS 48 199.134 8.602 6.437 411 HA LYS 48 HA LYS 48 196.813 7.889 4.805 412 1HB LYS 48 HB2 LYS 48 197.805 10.030 4.298 413 2HB LYS 48 HB1 LYS 48 199.403 9.312 4.166 414 1HG LYS 48 HG2 LYS 48 198.021 7.902 2.292 415 2HG LYS 48 HG1 LYS 48 197.240 9.482 2.202 416 1HD LYS 48 HD2 LYS 48 199.530 10.498 2.020 417 2HD LYS 48 HD1 LYS 48 200.173 8.862 1.874 418 1HE LYS 48 HE2 LYS 48 199.935 9.381 -0.337 419 2HE LYS 48 HE1 LYS 48 198.345 8.687 -0.021 420 1HZ LYS 48 HZ1 LYS 48 198.380 10.861 -1.253 421 2HZ LYS 48 HZ2 LYS 48 198.885 11.592 0.187 422 3HZ LYS 48 HZ3 LYS 48 197.384 10.815 0.113 423 H LYS 49 HN LYS 49 197.177 5.592 5.381 424 HA LYS 49 HA LYS 49 199.471 4.161 4.680 425 1HB LYS 49 HB2 LYS 49 196.640 3.484 5.248 426 2HB LYS 49 HB1 LYS 49 197.566 2.272 4.377 427 1HG LYS 49 HG2 LYS 49 199.147 3.198 6.542 428 2HG LYS 49 HG1 LYS 49 197.535 2.815 7.150 429 1HD LYS 49 HD2 LYS 49 198.062 0.709 5.466 430 2HD LYS 49 HD1 LYS 49 199.642 1.045 6.173 431 1HE LYS 49 HE2 LYS 49 197.081 0.351 7.579 432 2HE LYS 49 HE1 LYS 49 198.599 -0.537 7.590 433 1HZ LYS 49 HZ1 LYS 49 197.747 1.536 9.314 434 2HZ LYS 49 HZ2 LYS 49 199.176 1.998 8.537 435 3HZ LYS 49 HZ3 LYS 49 199.126 0.561 9.423 436 H LYS 50 HN LYS 50 196.644 5.042 2.761 437 HA LYS 50 HA LYS 50 197.326 3.437 0.515 438 1HB LYS 50 HB2 LYS 50 195.058 4.575 1.190 439 2HB LYS 50 HB1 LYS 50 195.681 5.920 0.246 440 1HG LYS 50 HG2 LYS 50 194.653 4.879 -1.451 441 2HG LYS 50 HG1 LYS 50 196.108 3.880 -1.470 442 1HD LYS 50 HD2 LYS 50 194.608 2.195 -1.333 443 2HD LYS 50 HD1 LYS 50 194.676 2.570 0.389 444 1HE LYS 50 HE2 LYS 50 192.367 2.344 -0.556 445 2HE LYS 50 HE1 LYS 50 192.689 3.868 0.270 446 1HZ LYS 50 HZ1 LYS 50 193.198 3.827 -2.594 447 2HZ LYS 50 HZ2 LYS 50 192.512 5.038 -1.633 448 3HZ LYS 50 HZ3 LYS 50 191.574 3.720 -2.130 449 H TYR 51 HN TYR 51 198.142 4.051 -1.500 450 HA TYR 51 HA TYR 51 199.292 6.674 -1.876 451 1HB TYR 51 HB2 TYR 51 200.978 4.245 -1.358 452 2HB TYR 51 HB1 TYR 51 201.570 5.531 -2.404 453 HD1 TYR 51 HD1 TYR 51 200.744 4.571 1.007 454 HD2 TYR 51 HD2 TYR 51 202.087 7.735 -1.492 455 HE1 TYR 51 HE1 TYR 51 201.488 5.819 2.997 456 HE2 TYR 51 HE2 TYR 51 202.837 8.992 0.484 457 HH TYR 51 HH TYR 51 202.960 7.568 3.629 458 H LEU 52 HN LEU 52 198.701 7.125 -3.894 459 HA LEU 52 HA LEU 52 198.519 4.952 -5.846 460 1HB LEU 52 HB2 LEU 52 196.803 6.985 -5.339 461 2HB LEU 52 HB1 LEU 52 197.758 7.708 -6.620 462 HG LEU 52 HG LEU 52 197.181 5.909 -8.136 463 1HD1 LEU 52 HD11 LEU 52 196.650 3.898 -7.375 464 2HD1 LEU 52 HD12 LEU 52 195.142 4.544 -6.728 465 3HD1 LEU 52 HD13 LEU 52 196.590 4.514 -5.724 466 1HD2 LEU 52 HD21 LEU 52 195.139 6.730 -8.638 467 2HD2 LEU 52 HD22 LEU 52 195.520 7.878 -7.354 468 3HD2 LEU 52 HD23 LEU 52 194.514 6.471 -7.009 469 H VAL 53 HN VAL 53 200.876 4.822 -5.861 470 HA VAL 53 HA VAL 53 202.248 7.005 -7.223 471 HB VAL 53 HB VAL 53 204.187 5.156 -6.978 472 1HG1 VAL 53 HG11 VAL 53 204.366 6.308 -4.541 473 2HG1 VAL 53 HG12 VAL 53 203.225 7.393 -5.332 474 3HG1 VAL 53 HG13 VAL 53 204.811 7.106 -6.047 475 1HG2 VAL 53 HG21 VAL 53 204.013 3.942 -4.918 476 2HG2 VAL 53 HG22 VAL 53 202.618 3.541 -5.921 477 3HG2 VAL 53 HG23 VAL 53 202.441 4.663 -4.571 478 HA PRO 54 HA PRO 54 202.127 5.382 -11.302 479 1HB PRO 54 HB2 PRO 54 205.063 5.844 -11.393 480 2HB PRO 54 HB1 PRO 54 203.798 6.430 -12.477 481 1HG PRO 54 HG2 PRO 54 204.950 8.062 -10.710 482 2HG PRO 54 HG1 PRO 54 203.217 8.176 -11.071 483 1HD PRO 54 HD2 PRO 54 204.588 7.004 -8.692 484 2HD PRO 54 HD1 PRO 54 203.060 7.903 -8.787 485 H SER 55 HN SER 55 203.762 3.960 -12.749 486 HA SER 55 HA SER 55 204.292 1.554 -11.145 487 1HB SER 55 HB2 SER 55 203.846 0.237 -13.093 488 2HB SER 55 HB1 SER 55 202.554 1.433 -12.988 489 HG SER 55 HG SER 55 204.749 1.339 -14.752 490 H ASP 56 HN ASP 56 205.750 3.973 -13.087 491 HA ASP 56 HA ASP 56 208.149 2.376 -13.554 492 1HB ASP 56 HB2 ASP 56 207.183 5.052 -14.524 493 2HB ASP 56 HB1 ASP 56 208.890 4.635 -14.631 494 H LEU 57 HN LEU 57 206.817 4.341 -11.208 495 HA LEU 57 HA LEU 57 208.961 5.879 -10.320 496 1HB LEU 57 HB2 LEU 57 206.626 6.116 -9.543 497 2HB LEU 57 HB1 LEU 57 206.787 4.607 -8.662 498 HG LEU 57 HG LEU 57 208.869 5.950 -7.618 499 1HD1 LEU 57 HD11 LEU 57 208.402 8.245 -7.307 500 2HD1 LEU 57 HD12 LEU 57 206.802 8.091 -8.033 501 3HD1 LEU 57 HD13 LEU 57 208.244 7.933 -9.036 502 1HD2 LEU 57 HD21 LEU 57 206.080 5.491 -6.852 503 2HD2 LEU 57 HD22 LEU 57 206.875 6.796 -5.973 504 3HD2 LEU 57 HD23 LEU 57 207.571 5.175 -5.965 505 H THR 58 HN THR 58 210.894 5.251 -9.595 506 HA THR 58 HA THR 58 211.346 2.509 -8.827 507 HB THR 58 HB THR 58 213.710 3.341 -8.448 508 HG1 THR 58 HG1 THR 58 213.468 5.483 -8.145 509 1HG2 THR 58 HG21 THR 58 212.452 3.765 -11.141 510 2HG2 THR 58 HG22 THR 58 213.177 2.281 -10.521 511 3HG2 THR 58 HG23 THR 58 214.190 3.691 -10.840 512 H VAL 59 HN VAL 59 212.130 1.785 -6.873 513 HA VAL 59 HA VAL 59 210.834 2.591 -4.601 514 HB VAL 59 HB VAL 59 213.376 1.071 -5.032 515 1HG1 VAL 59 HG11 VAL 59 213.304 0.492 -2.575 516 2HG1 VAL 59 HG12 VAL 59 212.205 1.857 -2.365 517 3HG1 VAL 59 HG13 VAL 59 213.847 2.128 -2.949 518 1HG2 VAL 59 HG21 VAL 59 210.780 0.353 -5.224 519 2HG2 VAL 59 HG22 VAL 59 211.115 -0.077 -3.547 520 3HG2 VAL 59 HG23 VAL 59 212.092 -0.763 -4.845 521 H GLY 60 HN GLY 60 213.873 3.778 -5.905 522 1HA GLY 60 HA2 GLY 60 214.761 5.239 -3.670 523 2HA GLY 60 HA1 GLY 60 215.166 5.595 -5.345 524 H GLN 61 HN GLN 61 212.461 5.988 -6.211 525 HA GLN 61 HA GLN 61 212.129 8.738 -5.458 526 1HB GLN 61 HB2 GLN 61 210.468 6.942 -7.216 527 2HB GLN 61 HB1 GLN 61 210.230 8.676 -7.030 528 1HG GLN 61 HG2 GLN 61 212.519 9.040 -7.836 529 2HG GLN 61 HG1 GLN 61 212.657 7.310 -8.133 530 1HE2 GLN 61 HE21 GLN 61 210.043 6.877 -9.086 531 2HE2 GLN 61 HE22 GLN 61 209.903 7.612 -10.643 532 H PHE 62 HN PHE 62 210.266 5.746 -5.076 533 HA PHE 62 HA PHE 62 208.033 6.710 -3.771 534 1HB PHE 62 HB2 PHE 62 208.575 4.306 -4.507 535 2HB PHE 62 HB1 PHE 62 209.372 4.142 -2.946 536 HD1 PHE 62 HD1 PHE 62 208.020 2.653 -1.782 537 HD2 PHE 62 HD2 PHE 62 206.253 5.964 -3.777 538 HE1 PHE 62 HE1 PHE 62 205.855 2.125 -0.735 539 HE2 PHE 62 HE2 PHE 62 204.088 5.445 -2.736 540 HZ PHE 62 HZ PHE 62 203.889 3.528 -1.216 541 H TYR 63 HN TYR 63 211.179 5.848 -2.412 542 HA TYR 63 HA TYR 63 210.640 6.130 0.294 543 1HB TYR 63 HB2 TYR 63 213.058 6.420 -1.413 544 2HB TYR 63 HB1 TYR 63 213.148 7.061 0.223 545 HD1 TYR 63 HD1 TYR 63 212.199 5.344 2.063 546 HD2 TYR 63 HD2 TYR 63 213.771 4.299 -1.740 547 HE1 TYR 63 HE1 TYR 63 212.709 3.095 2.906 548 HE2 TYR 63 HE2 TYR 63 214.288 2.037 -0.915 549 HH TYR 63 HH TYR 63 214.692 1.160 1.909 550 H PHE 64 HN PHE 64 212.297 8.523 -1.676 551 HA PHE 64 HA PHE 64 212.296 10.697 -0.097 552 1HB PHE 64 HB2 PHE 64 213.340 10.980 -2.154 553 2HB PHE 64 HB1 PHE 64 211.950 10.386 -3.053 554 HD1 PHE 64 HD1 PHE 64 213.177 13.272 -1.073 555 HD2 PHE 64 HD2 PHE 64 210.417 11.859 -3.990 556 HE1 PHE 64 HE1 PHE 64 212.493 15.589 -1.541 557 HE2 PHE 64 HE2 PHE 64 209.729 14.175 -4.464 558 HZ PHE 64 HZ PHE 64 210.767 16.042 -3.239 559 H LEU 65 HN LEU 65 209.474 9.518 -1.881 560 HA LEU 65 HA LEU 65 207.860 11.774 -1.275 561 1HB LEU 65 HB2 LEU 65 206.456 10.851 -2.720 562 2HB LEU 65 HB1 LEU 65 207.681 9.624 -2.975 563 HG LEU 65 HG LEU 65 206.590 8.359 -1.076 564 1HD1 LEU 65 HD11 LEU 65 204.696 9.095 -0.117 565 2HD1 LEU 65 HD12 LEU 65 204.019 9.631 -1.653 566 3HD1 LEU 65 HD13 LEU 65 205.147 10.667 -0.775 567 1HD2 LEU 65 HD21 LEU 65 205.085 7.281 -2.557 568 2HD2 LEU 65 HD22 LEU 65 206.406 7.893 -3.552 569 3HD2 LEU 65 HD23 LEU 65 204.864 8.748 -3.509 570 H ILE 66 HN ILE 66 208.289 8.596 0.217 571 HA ILE 66 HA ILE 66 206.286 9.020 2.213 572 HB ILE 66 HB ILE 66 208.557 7.036 2.071 573 1HG1 ILE 66 HG12 ILE 66 206.943 6.673 0.311 574 2HG1 ILE 66 HG11 ILE 66 206.732 5.425 1.534 575 1HG2 ILE 66 HG21 ILE 66 206.634 7.626 4.200 576 2HG2 ILE 66 HG22 ILE 66 208.175 6.771 4.264 577 3HG2 ILE 66 HG23 ILE 66 206.718 5.924 3.745 578 1HD1 ILE 66 HD11 ILE 66 204.713 6.278 2.239 579 2HD1 ILE 66 HD12 ILE 66 204.665 6.567 0.501 580 3HD1 ILE 66 HD13 ILE 66 205.047 7.888 1.603 581 H ARG 67 HN ARG 67 209.784 9.390 2.024 582 HA ARG 67 HA ARG 67 210.558 9.793 4.604 583 1HB ARG 67 HB2 ARG 67 211.480 10.640 1.982 584 2HB ARG 67 HB1 ARG 67 211.831 11.860 3.195 585 1HG ARG 67 HG2 ARG 67 213.531 10.680 3.978 586 2HG ARG 67 HG1 ARG 67 212.519 9.249 4.182 587 1HD ARG 67 HD2 ARG 67 212.998 8.464 2.044 588 2HD ARG 67 HD1 ARG 67 213.549 10.044 1.491 589 HE ARG 67 HE ARG 67 215.213 9.114 3.571 590 1HH1 ARG 67 HH11 ARG 67 214.491 8.543 0.205 591 2HH1 ARG 67 HH12 ARG 67 216.074 7.945 -0.163 592 1HH2 ARG 67 HH21 ARG 67 217.297 8.330 3.090 593 2HH2 ARG 67 HH22 ARG 67 217.668 7.824 1.476 594 H LYS 68 HN LYS 68 209.217 12.350 2.486 595 HA LYS 68 HA LYS 68 209.210 14.361 4.451 596 1HB LYS 68 HB2 LYS 68 207.354 14.066 2.089 597 2HB LYS 68 HB1 LYS 68 207.652 15.542 2.995 598 1HG LYS 68 HG2 LYS 68 209.808 15.774 2.147 599 2HG LYS 68 HG1 LYS 68 209.882 14.088 1.630 600 1HD LYS 68 HD2 LYS 68 207.701 15.605 0.414 601 2HD LYS 68 HD1 LYS 68 209.308 16.218 0.010 602 1HE LYS 68 HE2 LYS 68 209.984 14.083 -0.833 603 2HE LYS 68 HE1 LYS 68 208.514 13.329 -0.220 604 1HZ LYS 68 HZ1 LYS 68 208.303 13.683 -2.567 605 2HZ LYS 68 HZ2 LYS 68 208.683 15.324 -2.410 606 3HZ LYS 68 HZ3 LYS 68 207.237 14.727 -1.770 607 H ARG 69 HN ARG 69 206.696 12.097 3.403 608 HA ARG 69 HA ARG 69 204.592 12.930 4.991 609 1HB ARG 69 HB2 ARG 69 205.318 10.063 4.367 610 2HB ARG 69 HB1 ARG 69 203.728 10.665 4.809 611 1HG ARG 69 HG2 ARG 69 204.818 12.044 2.502 612 2HG ARG 69 HG1 ARG 69 204.691 10.301 2.253 613 1HD ARG 69 HD2 ARG 69 202.435 10.317 2.323 614 2HD ARG 69 HD1 ARG 69 202.376 11.612 3.522 615 HE ARG 69 HE ARG 69 202.306 11.891 0.660 616 1HH1 ARG 69 HH11 ARG 69 203.057 13.481 3.674 617 2HH1 ARG 69 HH12 ARG 69 202.846 15.074 3.031 618 1HH2 ARG 69 HH21 ARG 69 202.028 13.987 -0.188 619 2HH2 ARG 69 HH22 ARG 69 202.261 15.361 0.839 620 H ILE 70 HN ILE 70 207.523 11.322 5.902 621 HA ILE 70 HA ILE 70 206.493 10.941 8.628 622 HB ILE 70 HB ILE 70 208.881 9.603 8.612 623 1HG1 ILE 70 HG12 ILE 70 207.544 8.729 6.081 624 2HG1 ILE 70 HG11 ILE 70 208.773 9.988 6.051 625 1HG2 ILE 70 HG21 ILE 70 207.572 7.974 9.362 626 2HG2 ILE 70 HG22 ILE 70 206.687 7.883 7.840 627 3HG2 ILE 70 HG23 ILE 70 206.215 9.060 9.064 628 1HD1 ILE 70 HD11 ILE 70 209.424 7.477 7.473 629 2HD1 ILE 70 HD12 ILE 70 210.457 8.556 6.533 630 3HD1 ILE 70 HD13 ILE 70 209.364 7.441 5.711 631 H HIS 71 HN HIS 71 208.451 12.926 6.798 632 HA HIS 71 HA HIS 71 209.645 14.757 7.393 633 1HB HIS 71 HB2 HIS 71 209.489 13.764 10.242 634 2HB HIS 71 HB1 HIS 71 210.072 15.338 9.723 635 HD1 HIS 71 HD1 HIS 71 208.395 17.149 9.750 636 HD2 HIS 71 HD2 HIS 71 206.613 13.404 9.496 637 HE1 HIS 71 HE1 HIS 71 205.920 17.572 9.867 638 HE2 HIS 71 HE2 HIS 71 204.865 15.287 9.781 639 H LEU 72 HN LEU 72 210.910 12.880 6.212 640 HA LEU 72 HA LEU 72 213.502 12.693 7.597 641 1HB LEU 72 HB2 LEU 72 212.160 10.699 5.799 642 2HB LEU 72 HB1 LEU 72 213.870 10.622 6.193 643 HG LEU 72 HG LEU 72 212.717 9.050 7.570 644 1HD1 LEU 72 HD11 LEU 72 213.882 11.439 8.817 645 2HD1 LEU 72 HD12 LEU 72 214.297 9.737 9.003 646 3HD1 LEU 72 HD13 LEU 72 212.926 10.412 9.883 647 1HD2 LEU 72 HD21 LEU 72 211.032 11.127 8.862 648 2HD2 LEU 72 HD22 LEU 72 210.768 9.392 8.697 649 3HD2 LEU 72 HD23 LEU 72 210.521 10.458 7.312 650 H ARG 73 HN ARG 73 215.278 13.328 6.422 651 HA ARG 73 HA ARG 73 214.738 14.244 3.670 652 1HB ARG 73 HB2 ARG 73 216.633 15.937 4.246 653 2HB ARG 73 HB1 ARG 73 214.991 16.244 4.794 654 1HG ARG 73 HG2 ARG 73 216.954 14.824 6.550 655 2HG ARG 73 HG1 ARG 73 216.939 16.586 6.437 656 1HD ARG 73 HD2 ARG 73 214.301 15.369 6.840 657 2HD ARG 73 HD1 ARG 73 215.431 15.115 8.169 658 HE ARG 73 HE ARG 73 215.660 17.756 7.698 659 1HH1 ARG 73 HH11 ARG 73 212.892 15.687 8.196 660 2HH1 ARG 73 HH12 ARG 73 211.928 16.939 8.904 661 1HH2 ARG 73 HH21 ARG 73 214.392 19.403 8.629 662 2HH2 ARG 73 HH22 ARG 73 212.779 19.047 9.150 663 H ALA 74 HN ALA 74 215.537 12.047 3.104 664 HA ALA 74 HA ALA 74 217.130 10.650 2.273 665 1HB ALA 74 HB1 ALA 74 217.803 12.161 0.706 666 2HB ALA 74 HB2 ALA 74 219.313 11.974 1.598 667 3HB ALA 74 HB3 ALA 74 218.273 13.365 1.906 668 H GLU 75 HN GLU 75 219.275 12.938 3.961 669 HA GLU 75 HA GLU 75 221.117 11.152 4.904 670 1HB GLU 75 HB2 GLU 75 220.086 13.678 6.197 671 2HB GLU 75 HB1 GLU 75 221.478 12.790 6.800 672 1HG GLU 75 HG2 GLU 75 221.844 13.210 4.019 673 2HG GLU 75 HG1 GLU 75 221.369 14.742 4.751 674 H ASP 76 HN ASP 76 217.919 11.765 6.129 675 HA ASP 76 HA ASP 76 218.269 10.369 8.601 676 1HB ASP 76 HB2 ASP 76 216.317 12.027 7.473 677 2HB ASP 76 HB1 ASP 76 215.532 10.474 7.725 678 H ALA 77 HN ALA 77 217.180 8.394 9.172 679 HA ALA 77 HA ALA 77 217.534 6.410 7.115 680 1HB ALA 77 HB1 ALA 77 218.443 5.944 9.290 681 2HB ALA 77 HB2 ALA 77 217.165 4.784 8.923 682 3HB ALA 77 HB3 ALA 77 216.851 6.121 10.030 683 H LEU 78 HN LEU 78 216.067 5.156 6.206 684 HA LEU 78 HA LEU 78 213.390 4.822 7.064 685 1HB LEU 78 HB2 LEU 78 213.084 7.069 6.239 686 2HB LEU 78 HB1 LEU 78 213.888 6.668 4.732 687 HG LEU 78 HG LEU 78 212.043 5.116 4.181 688 1HD1 LEU 78 HD11 LEU 78 211.180 4.423 6.230 689 2HD1 LEU 78 HD12 LEU 78 209.923 5.471 5.568 690 3HD1 LEU 78 HD13 LEU 78 211.006 6.077 6.822 691 1HD2 LEU 78 HD21 LEU 78 211.206 7.943 4.803 692 2HD2 LEU 78 HD22 LEU 78 210.343 6.836 3.736 693 3HD2 LEU 78 HD23 LEU 78 211.969 7.375 3.320 694 H PHE 79 HN PHE 79 213.359 2.701 6.613 695 HA PHE 79 HA PHE 79 214.166 1.853 3.907 696 1HB PHE 79 HB2 PHE 79 214.150 0.173 6.426 697 2HB PHE 79 HB1 PHE 79 214.703 -0.336 4.836 698 HD1 PHE 79 HD1 PHE 79 216.923 -0.078 4.227 699 HD2 PHE 79 HD2 PHE 79 215.396 2.107 7.544 700 HE1 PHE 79 HE1 PHE 79 219.203 0.660 4.786 701 HE2 PHE 79 HE2 PHE 79 217.672 2.853 8.107 702 HZ PHE 79 HZ PHE 79 219.579 2.129 6.727 703 H PHE 80 HN PHE 80 212.717 0.756 2.691 704 HA PHE 80 HA PHE 80 210.018 0.563 3.720 705 1HB PHE 80 HB2 PHE 80 211.227 0.232 0.986 706 2HB PHE 80 HB1 PHE 80 209.560 -0.230 1.312 707 HD1 PHE 80 HD1 PHE 80 209.110 2.089 3.348 708 HD2 PHE 80 HD2 PHE 80 210.659 1.906 -0.612 709 HE1 PHE 80 HE1 PHE 80 208.412 4.415 2.974 710 HE2 PHE 80 HE2 PHE 80 209.957 4.229 -0.996 711 HZ PHE 80 HZ PHE 80 208.834 5.488 0.800 712 H PHE 81 HN PHE 81 208.770 -1.319 3.736 713 HA PHE 81 HA PHE 81 210.188 -3.844 3.395 714 1HB PHE 81 HB2 PHE 81 208.682 -3.079 5.903 715 2HB PHE 81 HB1 PHE 81 209.343 -4.677 5.561 716 HD1 PHE 81 HD1 PHE 81 210.155 -1.199 6.379 717 HD2 PHE 81 HD2 PHE 81 211.694 -5.112 5.731 718 HE1 PHE 81 HE1 PHE 81 212.313 -0.503 7.331 719 HE2 PHE 81 HE2 PHE 81 213.855 -4.425 6.685 720 HZ PHE 81 HZ PHE 81 214.174 -2.116 7.477 721 H VAL 82 HN VAL 82 209.030 -4.939 1.978 722 HA VAL 82 HA VAL 82 206.092 -4.832 2.178 723 HB VAL 82 HB VAL 82 207.104 -3.840 0.071 724 1HG1 VAL 82 HG11 VAL 82 207.667 -6.719 -0.615 725 2HG1 VAL 82 HG12 VAL 82 208.897 -5.535 -0.172 726 3HG1 VAL 82 HG13 VAL 82 207.940 -5.308 -1.636 727 1HG2 VAL 82 HG21 VAL 82 205.309 -4.510 -1.214 728 2HG2 VAL 82 HG22 VAL 82 204.762 -4.914 0.413 729 3HG2 VAL 82 HG23 VAL 82 205.388 -6.178 -0.644 730 H ASN 83 HN ASN 83 205.207 -6.683 2.819 731 HA ASN 83 HA ASN 83 204.892 -8.902 3.238 732 1HB ASN 83 HB2 ASN 83 206.973 -9.396 1.093 733 2HB ASN 83 HB1 ASN 83 205.803 -10.557 1.711 734 1HD2 ASN 83 HD21 ASN 83 205.070 -10.870 -0.424 735 2HD2 ASN 83 HD22 ASN 83 204.017 -9.729 -1.181 736 H ASN 84 HN ASN 84 207.128 -7.170 4.324 737 HA ASN 84 HA ASN 84 208.427 -7.464 6.193 738 1HB ASN 84 HB2 ASN 84 207.365 -9.808 6.352 739 2HB ASN 84 HB1 ASN 84 208.825 -10.376 5.548 740 1HD2 ASN 84 HD21 ASN 84 208.139 -8.008 8.103 741 2HD2 ASN 84 HD22 ASN 84 209.267 -8.655 9.240 742 H VAL 85 HN VAL 85 209.183 -7.666 3.032 743 HA VAL 85 HA VAL 85 212.059 -7.941 3.574 744 HB VAL 85 HB VAL 85 211.158 -9.605 2.040 745 1HG1 VAL 85 HG11 VAL 85 210.806 -8.376 -0.370 746 2HG1 VAL 85 HG12 VAL 85 210.020 -7.261 0.745 747 3HG1 VAL 85 HG13 VAL 85 209.511 -8.947 0.683 748 1HG2 VAL 85 HG21 VAL 85 213.507 -8.622 1.907 749 2HG2 VAL 85 HG22 VAL 85 212.928 -7.776 0.472 750 3HG2 VAL 85 HG23 VAL 85 212.929 -9.538 0.516 751 H ILE 86 HN ILE 86 213.484 -6.650 2.315 752 HA ILE 86 HA ILE 86 212.475 -3.930 1.990 753 HB ILE 86 HB ILE 86 215.309 -4.955 2.027 754 1HG1 ILE 86 HG12 ILE 86 213.430 -3.932 4.109 755 2HG1 ILE 86 HG11 ILE 86 214.618 -5.227 4.211 756 1HG2 ILE 86 HG21 ILE 86 214.273 -2.120 2.092 757 2HG2 ILE 86 HG22 ILE 86 215.059 -2.893 0.715 758 3HG2 ILE 86 HG23 ILE 86 215.963 -2.613 2.204 759 1HD1 ILE 86 HD11 ILE 86 216.404 -3.578 4.296 760 2HD1 ILE 86 HD12 ILE 86 215.238 -3.341 5.596 761 3HD1 ILE 86 HD13 ILE 86 215.213 -2.284 4.187 762 HA PRO 87 HA PRO 87 212.606 -4.612 -2.452 763 1HB PRO 87 HB2 PRO 87 211.523 -2.266 -3.197 764 2HB PRO 87 HB1 PRO 87 210.549 -3.554 -2.475 765 1HG PRO 87 HG2 PRO 87 211.677 -1.090 -1.203 766 2HG PRO 87 HG1 PRO 87 210.070 -1.813 -1.009 767 1HD PRO 87 HD2 PRO 87 212.111 -2.153 0.781 768 2HD PRO 87 HD1 PRO 87 210.807 -3.332 0.541 769 HA PRO 88 HA PRO 88 216.389 -2.545 -3.503 770 1HB PRO 88 HB2 PRO 88 215.771 -2.990 -6.326 771 2HB PRO 88 HB1 PRO 88 217.025 -3.731 -5.329 772 1HG PRO 88 HG2 PRO 88 214.883 -5.116 -6.223 773 2HG PRO 88 HG1 PRO 88 215.661 -5.465 -4.669 774 1HD PRO 88 HD2 PRO 88 213.162 -3.908 -5.226 775 2HD PRO 88 HD1 PRO 88 213.482 -5.112 -3.959 776 H THR 89 HN THR 89 216.931 -0.471 -3.835 777 HA THR 89 HA THR 89 215.033 1.502 -4.407 778 HB THR 89 HB THR 89 217.119 2.963 -4.776 779 HG1 THR 89 HG1 THR 89 218.423 1.015 -5.248 780 1HG2 THR 89 HG21 THR 89 217.868 2.454 -2.288 781 2HG2 THR 89 HG22 THR 89 216.342 1.569 -2.288 782 3HG2 THR 89 HG23 THR 89 216.364 3.291 -2.671 783 H SER 90 HN SER 90 216.879 -0.493 -6.508 784 HA SER 90 HA SER 90 216.706 1.266 -8.787 785 1HB SER 90 HB2 SER 90 218.613 -0.234 -8.610 786 2HB SER 90 HB1 SER 90 217.542 -1.635 -8.560 787 HG SER 90 HG SER 90 217.803 0.183 -10.727 788 H ALA 91 HN ALA 91 214.901 -1.421 -7.457 789 HA ALA 91 HA ALA 91 213.406 -2.125 -9.722 790 1HB ALA 91 HB1 ALA 91 213.481 -3.486 -7.684 791 2HB ALA 91 HB2 ALA 91 211.822 -3.135 -8.174 792 3HB ALA 91 HB3 ALA 91 212.553 -2.253 -6.831 793 H THR 92 HN THR 92 210.959 -1.793 -9.833 794 HA THR 92 HA THR 92 210.347 1.041 -9.320 795 HB THR 92 HB THR 92 209.133 1.150 -11.377 796 HG1 THR 92 HG1 THR 92 208.741 -0.617 -12.632 797 1HG2 THR 92 HG21 THR 92 211.428 1.499 -11.814 798 2HG2 THR 92 HG22 THR 92 210.820 0.439 -13.086 799 3HG2 THR 92 HG23 THR 92 211.771 -0.229 -11.758 800 H MET 93 HN MET 93 208.340 1.574 -8.563 801 HA MET 93 HA MET 93 206.990 -0.063 -6.853 802 1HB MET 93 HB2 MET 93 205.888 2.215 -8.506 803 2HB MET 93 HB1 MET 93 205.033 1.479 -7.158 804 1HG MET 93 HG2 MET 93 207.618 3.000 -7.071 805 2HG MET 93 HG1 MET 93 206.062 3.486 -6.406 806 1HE MET 93 HE1 MET 93 204.804 1.426 -5.132 807 2HE MET 93 HE2 MET 93 205.523 0.810 -3.645 808 3HE MET 93 HE3 MET 93 205.748 -0.063 -5.161 809 H GLY 94 HN GLY 94 206.535 0.250 -10.320 810 1HA GLY 94 HA2 GLY 94 204.146 -1.268 -10.502 811 2HA GLY 94 HA1 GLY 94 205.276 -0.963 -11.815 812 H GLN 95 HN GLN 95 207.573 -2.132 -10.752 813 HA GLN 95 HA GLN 95 207.182 -4.835 -11.425 814 1HB GLN 95 HB2 GLN 95 209.473 -3.453 -10.015 815 2HB GLN 95 HB1 GLN 95 209.515 -5.136 -10.522 816 1HG GLN 95 HG2 GLN 95 209.528 -4.590 -12.779 817 2HG GLN 95 HG1 GLN 95 208.921 -2.961 -12.487 818 1HE2 GLN 95 HE21 GLN 95 211.565 -4.701 -10.918 819 2HE2 GLN 95 HE22 GLN 95 212.804 -3.585 -11.368 820 H LEU 96 HN LEU 96 207.401 -3.142 -8.347 821 HA LEU 96 HA LEU 96 207.397 -5.455 -6.709 822 1HB LEU 96 HB2 LEU 96 206.371 -2.693 -6.029 823 2HB LEU 96 HB1 LEU 96 206.801 -3.950 -4.886 824 HG LEU 96 HG LEU 96 208.655 -2.356 -6.648 825 1HD1 LEU 96 HD11 LEU 96 208.324 -2.660 -3.670 826 2HD1 LEU 96 HD12 LEU 96 208.069 -1.210 -4.643 827 3HD1 LEU 96 HD13 LEU 96 209.696 -1.854 -4.432 828 1HD2 LEU 96 HD21 LEU 96 209.877 -4.237 -6.789 829 2HD2 LEU 96 HD22 LEU 96 208.998 -5.028 -5.481 830 3HD2 LEU 96 HD23 LEU 96 210.290 -3.886 -5.111 831 H TYR 97 HN TYR 97 204.845 -3.256 -7.812 832 HA TYR 97 HA TYR 97 202.696 -4.525 -6.540 833 1HB TYR 97 HB2 TYR 97 202.444 -2.305 -7.461 834 2HB TYR 97 HB1 TYR 97 202.760 -2.909 -9.085 835 HD1 TYR 97 HD1 TYR 97 200.267 -2.284 -6.594 836 HD2 TYR 97 HD2 TYR 97 201.112 -4.568 -10.085 837 HE1 TYR 97 HE1 TYR 97 197.858 -2.682 -6.910 838 HE2 TYR 97 HE2 TYR 97 198.708 -4.970 -10.411 839 HH TYR 97 HH TYR 97 196.661 -4.902 -9.327 840 H GLN 98 HN GLN 98 204.390 -5.240 -9.502 841 HA GLN 98 HA GLN 98 202.398 -7.062 -10.462 842 1HB GLN 98 HB2 GLN 98 205.274 -6.677 -11.283 843 2HB GLN 98 HB1 GLN 98 204.098 -7.664 -12.139 844 1HG GLN 98 HG2 GLN 98 203.009 -5.060 -11.779 845 2HG GLN 98 HG1 GLN 98 204.635 -4.912 -12.443 846 1HE2 GLN 98 HE21 GLN 98 204.581 -4.717 -14.552 847 2HE2 GLN 98 HE22 GLN 98 203.529 -5.561 -15.632 848 H GLU 99 HN GLU 99 205.129 -7.257 -8.331 849 HA GLU 99 HA GLU 99 204.844 -10.189 -8.273 850 1HB GLU 99 HB2 GLU 99 207.277 -8.457 -7.966 851 2HB GLU 99 HB1 GLU 99 207.253 -10.142 -7.458 852 1HG GLU 99 HG2 GLU 99 206.309 -10.383 -9.966 853 2HG GLU 99 HG1 GLU 99 207.347 -8.969 -10.151 854 H HIS 100 HN HIS 100 203.715 -7.813 -6.523 855 HA HIS 100 HA HIS 100 204.214 -9.235 -4.025 856 1HB HIS 100 HB2 HIS 100 204.575 -6.262 -4.342 857 2HB HIS 100 HB1 HIS 100 204.479 -7.086 -2.789 858 HD1 HIS 100 HD1 HIS 100 206.623 -7.932 -1.860 859 HD2 HIS 100 HD2 HIS 100 206.878 -7.175 -5.935 860 HE1 HIS 100 HE1 HIS 100 209.042 -8.268 -2.454 861 HE2 HIS 100 HE2 HIS 100 209.190 -7.710 -4.906 862 H HIS 101 HN HIS 101 202.144 -7.234 -5.928 863 HA HIS 101 HA HIS 101 200.214 -6.443 -4.142 864 1HB HIS 101 HB2 HIS 101 198.648 -6.402 -5.964 865 2HB HIS 101 HB1 HIS 101 200.227 -5.935 -6.591 866 HD1 HIS 101 HD1 HIS 101 201.569 -8.305 -7.521 867 HD2 HIS 101 HD2 HIS 101 197.421 -8.105 -7.647 868 HE1 HIS 101 HE1 HIS 101 200.865 -10.022 -9.217 869 HE2 HIS 101 HE2 HIS 101 198.356 -9.820 -9.342 870 H GLU 102 HN GLU 102 199.236 -7.562 -2.617 871 HA GLU 102 HA GLU 102 199.098 -10.381 -2.573 872 1HB GLU 102 HB2 GLU 102 197.829 -8.243 -0.875 873 2HB GLU 102 HB1 GLU 102 197.600 -9.959 -0.559 874 1HG GLU 102 HG2 GLU 102 200.380 -8.971 -0.859 875 2HG GLU 102 HG1 GLU 102 199.503 -8.536 0.608 876 H GLU 103 HN GLU 103 198.037 -10.295 -4.840 877 HA GLU 103 HA GLU 103 196.206 -10.480 -6.219 878 1HB GLU 103 HB2 GLU 103 196.516 -12.673 -5.065 879 2HB GLU 103 HB1 GLU 103 195.276 -12.191 -3.915 880 1HG GLU 103 HG2 GLU 103 193.583 -12.427 -5.424 881 2HG GLU 103 HG1 GLU 103 194.622 -12.094 -6.810 882 H ASP 104 HN ASP 104 195.935 -8.173 -4.438 883 HA ASP 104 HA ASP 104 192.987 -8.039 -4.366 884 1HB ASP 104 HB2 ASP 104 193.499 -6.230 -2.520 885 2HB ASP 104 HB1 ASP 104 193.435 -7.939 -2.097 886 H PHE 105 HN PHE 105 195.065 -7.276 -6.400 887 HA PHE 105 HA PHE 105 195.535 -5.575 -7.832 888 1HB PHE 105 HB2 PHE 105 192.819 -4.718 -6.833 889 2HB PHE 105 HB1 PHE 105 193.667 -3.886 -8.132 890 HD1 PHE 105 HD1 PHE 105 194.694 -5.763 -9.887 891 HD2 PHE 105 HD2 PHE 105 191.137 -6.080 -7.573 892 HE1 PHE 105 HE1 PHE 105 193.783 -7.368 -11.514 893 HE2 PHE 105 HE2 PHE 105 190.220 -7.686 -9.195 894 HZ PHE 105 HZ PHE 105 191.544 -8.331 -11.169 895 H PHE 106 HN PHE 106 196.136 -5.316 -4.832 896 HA PHE 106 HA PHE 106 196.689 -2.434 -4.817 897 1HB PHE 106 HB2 PHE 106 195.539 -4.212 -2.783 898 2HB PHE 106 HB1 PHE 106 196.837 -3.187 -2.182 899 HD1 PHE 106 HD1 PHE 106 194.614 -2.180 -4.910 900 HD2 PHE 106 HD2 PHE 106 195.435 -1.879 -0.747 901 HE1 PHE 106 HE1 PHE 106 193.038 -0.285 -4.735 902 HE2 PHE 106 HE2 PHE 106 193.861 0.006 -0.565 903 HZ PHE 106 HZ PHE 106 192.660 0.803 -2.562 904 H LEU 107 HN LEU 107 198.410 -2.273 -2.754 905 HA LEU 107 HA LEU 107 200.513 -4.207 -2.884 906 1HB LEU 107 HB2 LEU 107 200.829 -3.036 -5.016 907 2HB LEU 107 HB1 LEU 107 200.943 -1.505 -4.168 908 HG LEU 107 HG LEU 107 203.156 -2.094 -4.770 909 1HD1 LEU 107 HD11 LEU 107 204.323 -2.341 -2.709 910 2HD1 LEU 107 HD12 LEU 107 202.894 -2.987 -1.912 911 3HD1 LEU 107 HD13 LEU 107 202.922 -1.308 -2.454 912 1HD2 LEU 107 HD21 LEU 107 203.876 -4.184 -5.055 913 2HD2 LEU 107 HD22 LEU 107 202.233 -4.713 -4.687 914 3HD2 LEU 107 HD23 LEU 107 203.445 -4.640 -3.407 915 H TYR 108 HN TYR 108 200.216 -4.171 -0.645 916 HA TYR 108 HA TYR 108 200.559 -1.664 0.765 917 1HB TYR 108 HB2 TYR 108 199.756 -2.721 2.674 918 2HB TYR 108 HB1 TYR 108 198.871 -3.485 1.365 919 HD1 TYR 108 HD1 TYR 108 199.647 -4.277 4.292 920 HD2 TYR 108 HD2 TYR 108 200.986 -5.437 0.448 921 HE1 TYR 108 HE1 TYR 108 200.317 -6.476 5.205 922 HE2 TYR 108 HE2 TYR 108 201.661 -7.638 1.322 923 HH TYR 108 HH TYR 108 200.758 -8.719 4.456 924 H ILE 109 HN ILE 109 202.264 -0.928 1.679 925 HA ILE 109 HA ILE 109 204.659 -2.633 1.919 926 HB ILE 109 HB ILE 109 204.447 0.238 1.029 927 1HG1 ILE 109 HG12 ILE 109 204.856 -2.362 -0.387 928 2HG1 ILE 109 HG11 ILE 109 203.782 -1.028 -0.779 929 1HG2 ILE 109 HG21 ILE 109 206.476 0.070 2.244 930 2HG2 ILE 109 HG22 ILE 109 206.911 -0.022 0.538 931 3HG2 ILE 109 HG23 ILE 109 206.866 -1.490 1.515 932 1HD1 ILE 109 HD11 ILE 109 205.307 -0.725 -2.409 933 2HD1 ILE 109 HD12 ILE 109 206.613 -1.451 -1.469 934 3HD1 ILE 109 HD13 ILE 109 206.107 0.205 -1.139 935 H ALA 110 HN ALA 110 206.315 -1.669 3.402 936 HA ALA 110 HA ALA 110 205.146 -0.069 5.579 937 1HB ALA 110 HB1 ALA 110 206.658 -1.502 7.106 938 2HB ALA 110 HB2 ALA 110 206.599 -2.677 5.795 939 3HB ALA 110 HB3 ALA 110 205.109 -2.160 6.583 940 H TYR 111 HN TYR 111 206.804 0.941 6.942 941 HA TYR 111 HA TYR 111 209.423 1.245 5.690 942 1HB TYR 111 HB2 TYR 111 209.306 3.625 5.489 943 2HB TYR 111 HB1 TYR 111 207.897 2.959 4.673 944 HD1 TYR 111 HD1 TYR 111 209.040 4.642 7.734 945 HD2 TYR 111 HD2 TYR 111 205.710 3.526 5.373 946 HE1 TYR 111 HE1 TYR 111 207.596 6.056 9.136 947 HE2 TYR 111 HE2 TYR 111 204.239 4.937 6.743 948 HH TYR 111 HH TYR 111 204.928 7.245 8.408 949 H SER 112 HN SER 112 210.982 1.318 7.173 950 HA SER 112 HA SER 112 210.326 2.201 9.914 951 1HB SER 112 HB2 SER 112 210.566 0.062 10.555 952 2HB SER 112 HB1 SER 112 211.241 -0.420 9.003 953 HG SER 112 HG SER 112 212.549 0.533 11.301 954 H ASP 113 HN ASP 113 212.313 2.687 11.200 955 HA ASP 113 HA ASP 113 214.086 4.316 9.589 956 1HB ASP 113 HB2 ASP 113 213.095 5.204 11.674 957 2HB ASP 113 HB1 ASP 113 213.962 3.974 12.593 958 H GLU 114 HN GLU 114 214.111 1.162 10.223 959 HA GLU 114 HA GLU 114 217.049 1.030 10.301 960 1HB GLU 114 HB2 GLU 114 215.203 -0.928 11.676 961 2HB GLU 114 HB1 GLU 114 216.961 -0.942 11.702 962 1HG GLU 114 HG2 GLU 114 215.840 1.572 12.636 963 2HG GLU 114 HG1 GLU 114 215.316 0.184 13.590 964 H SER 115 HN SER 115 217.727 -1.320 9.659 965 HA SER 115 HA SER 115 216.619 -1.749 7.036 966 1HB SER 115 HB2 SER 115 218.388 -3.503 6.842 967 2HB SER 115 HB1 SER 115 219.016 -1.913 7.278 968 HG SER 115 HG SER 115 219.334 -2.594 9.340 969 H VAL 116 HN VAL 116 215.491 -2.700 9.921 970 HA VAL 116 HA VAL 116 214.550 -5.287 8.904 971 HB VAL 116 HB VAL 116 213.843 -4.999 11.646 972 1HG1 VAL 116 HG11 VAL 116 215.661 -6.788 10.076 973 2HG1 VAL 116 HG12 VAL 116 214.094 -7.145 10.804 974 3HG1 VAL 116 HG13 VAL 116 215.520 -6.952 11.826 975 1HG2 VAL 116 HG21 VAL 116 216.719 -4.309 11.076 976 2HG2 VAL 116 HG22 VAL 116 216.185 -4.975 12.618 977 3HG2 VAL 116 HG23 VAL 116 215.556 -3.424 12.064 978 H TYR 117 HN TYR 117 212.281 -5.751 9.453 979 HA TYR 117 HA TYR 117 210.595 -3.643 8.671 980 1HB TYR 117 HB2 TYR 117 209.873 -5.882 8.229 981 2HB TYR 117 HB1 TYR 117 209.978 -6.318 9.933 982 HD1 TYR 117 HD1 TYR 117 207.828 -6.841 10.643 983 HD2 TYR 117 HD2 TYR 117 208.430 -3.376 8.255 984 HE1 TYR 117 HE1 TYR 117 205.470 -6.219 10.960 985 HE2 TYR 117 HE2 TYR 117 206.075 -2.749 8.556 986 HH TYR 117 HH TYR 117 203.945 -3.792 9.113 987 H GLY 118 HN GLY 118 211.555 -2.125 10.353 988 1HA GLY 118 HA2 GLY 118 211.146 -0.777 12.164 989 2HA GLY 118 HA1 GLY 118 209.597 -1.595 12.317 990 H LEU 119 HN LEU 119 209.837 -3.914 13.158 991 HA LEU 119 HA LEU 119 210.210 -4.227 15.689 992 1HB LEU 119 HB2 LEU 119 211.181 -6.053 13.522 993 2HB LEU 119 HB1 LEU 119 211.322 -6.513 15.211 994 HG LEU 119 HG LEU 119 208.644 -5.571 14.528 995 1HD1 LEU 119 HD11 LEU 119 209.749 -6.966 12.477 996 2HD1 LEU 119 HD12 LEU 119 208.030 -6.964 12.873 997 3HD1 LEU 119 HD13 LEU 119 209.066 -8.270 13.449 998 1HD2 LEU 119 HD21 LEU 119 207.997 -7.550 15.757 999 2HD2 LEU 119 HD22 LEU 119 209.274 -6.691 16.620 1000 3HD2 LEU 119 HD23 LEU 119 209.654 -8.153 15.710 Start of MODEL 9 1 1H GLY 1 HT1 GLY 1 207.313 -14.116 5.621 2 2H GLY 1 HT2 GLY 1 208.217 -12.693 5.494 3 3H GLY 1 HT3 GLY 1 206.565 -12.615 5.847 4 1HA GLY 1 HA1 GLY 1 208.116 -14.211 7.693 5 2HA GLY 1 HA2 GLY 1 208.515 -12.501 7.687 6 H SER 2 HN SER 2 207.558 -11.584 9.377 7 HA SER 2 HA SER 2 204.723 -12.218 9.873 8 1HB SER 2 HB2 SER 2 206.709 -11.347 11.978 9 2HB SER 2 HB1 SER 2 205.069 -11.940 12.231 10 HG SER 2 HG SER 2 207.401 -13.340 11.623 11 H MET 3 HN MET 3 204.219 -10.471 8.404 12 HA MET 3 HA MET 3 204.940 -7.790 9.278 13 1HB MET 3 HB2 MET 3 203.638 -8.920 6.826 14 2HB MET 3 HB1 MET 3 203.457 -7.212 7.201 15 1HG MET 3 HG2 MET 3 206.057 -7.277 7.401 16 2HG MET 3 HG1 MET 3 205.893 -8.733 6.420 17 1HE MET 3 HE1 MET 3 206.801 -5.099 5.952 18 2HE MET 3 HE2 MET 3 205.259 -5.015 6.806 19 3HE MET 3 HE3 MET 3 205.387 -4.399 5.158 20 H LYS 4 HN LYS 4 203.699 -6.611 10.562 21 HA LYS 4 HA LYS 4 200.939 -7.469 11.051 22 1HB LYS 4 HB2 LYS 4 202.978 -5.952 12.612 23 2HB LYS 4 HB1 LYS 4 201.281 -5.602 12.915 24 1HG LYS 4 HG2 LYS 4 201.636 -7.233 14.463 25 2HG LYS 4 HG1 LYS 4 201.119 -8.223 13.097 26 1HD LYS 4 HD2 LYS 4 203.685 -8.247 12.549 27 2HD LYS 4 HD1 LYS 4 203.842 -7.862 14.265 28 1HE LYS 4 HE2 LYS 4 202.031 -9.893 14.325 29 2HE LYS 4 HE1 LYS 4 203.032 -10.359 12.951 30 1HZ LYS 4 HZ1 LYS 4 204.461 -11.163 14.424 31 2HZ LYS 4 HZ2 LYS 4 203.625 -10.483 15.727 32 3HZ LYS 4 HZ3 LYS 4 204.797 -9.577 14.910 33 H PHE 5 HN PHE 5 199.333 -6.411 10.070 34 HA PHE 5 HA PHE 5 199.739 -3.572 9.402 35 1HB PHE 5 HB2 PHE 5 198.818 -5.817 7.668 36 2HB PHE 5 HB1 PHE 5 198.133 -4.216 7.406 37 HD1 PHE 5 HD1 PHE 5 199.210 -2.768 5.986 38 HD2 PHE 5 HD2 PHE 5 201.427 -5.896 7.826 39 HE1 PHE 5 HE1 PHE 5 201.192 -2.132 4.671 40 HE2 PHE 5 HE2 PHE 5 203.408 -5.267 6.516 41 HZ PHE 5 HZ PHE 5 203.294 -3.384 4.935 42 H VAL 6 HN VAL 6 197.725 -2.379 9.007 43 HA VAL 6 HA VAL 6 195.428 -3.455 10.475 44 HB VAL 6 HB VAL 6 195.715 -0.589 10.755 45 1HG1 VAL 6 HG11 VAL 6 194.979 -2.912 12.462 46 2HG1 VAL 6 HG12 VAL 6 194.022 -1.500 12.015 47 3HG1 VAL 6 HG13 VAL 6 195.316 -1.348 13.204 48 1HG2 VAL 6 HG21 VAL 6 198.112 -1.350 10.922 49 2HG2 VAL 6 HG22 VAL 6 197.630 -2.272 12.345 50 3HG2 VAL 6 HG23 VAL 6 197.482 -0.516 12.341 51 H TYR 7 HN TYR 7 196.110 -0.356 8.836 52 HA TYR 7 HA TYR 7 193.602 -0.077 7.698 53 1HB TYR 7 HB2 TYR 7 195.532 1.616 7.733 54 2HB TYR 7 HB1 TYR 7 196.095 0.821 6.265 55 HD1 TYR 7 HD1 TYR 7 195.416 1.711 4.241 56 HD2 TYR 7 HD2 TYR 7 192.943 2.256 7.664 57 HE1 TYR 7 HE1 TYR 7 193.874 3.086 2.907 58 HE2 TYR 7 HE2 TYR 7 191.396 3.628 6.337 59 HH TYR 7 HH TYR 7 191.766 5.132 4.053 60 H LYS 8 HN LYS 8 196.460 -1.721 6.400 61 HA LYS 8 HA LYS 8 195.142 -2.489 3.970 62 1HB LYS 8 HB2 LYS 8 197.674 -2.194 4.305 63 2HB LYS 8 HB1 LYS 8 197.634 -3.760 5.101 64 1HG LYS 8 HG2 LYS 8 196.283 -3.824 2.541 65 2HG LYS 8 HG1 LYS 8 197.958 -3.288 2.399 66 1HD LYS 8 HD2 LYS 8 198.367 -5.510 2.322 67 2HD LYS 8 HD1 LYS 8 198.276 -5.367 4.079 68 1HE LYS 8 HE2 LYS 8 196.263 -6.416 4.196 69 2HE LYS 8 HE1 LYS 8 195.729 -5.796 2.634 70 1HZ LYS 8 HZ1 LYS 8 197.933 -7.691 2.573 71 2HZ LYS 8 HZ2 LYS 8 196.598 -7.548 1.543 72 3HZ LYS 8 HZ3 LYS 8 196.432 -8.320 3.039 73 H GLU 9 HN GLU 9 195.521 -3.786 7.165 74 HA GLU 9 HA GLU 9 194.715 -6.448 6.500 75 1HB GLU 9 HB2 GLU 9 195.447 -4.976 8.955 76 2HB GLU 9 HB1 GLU 9 194.342 -6.327 9.169 77 1HG GLU 9 HG2 GLU 9 196.331 -7.316 7.506 78 2HG GLU 9 HG1 GLU 9 197.187 -6.323 8.686 79 H GLU 10 HN GLU 10 193.225 -3.961 8.552 80 HA GLU 10 HA GLU 10 190.746 -5.026 8.926 81 1HB GLU 10 HB2 GLU 10 191.823 -2.269 8.815 82 2HB GLU 10 HB1 GLU 10 190.076 -2.420 8.689 83 1HG GLU 10 HG2 GLU 10 190.906 -2.057 10.995 84 2HG GLU 10 HG1 GLU 10 189.943 -3.520 10.798 85 H HIS 11 HN HIS 11 191.446 -2.624 6.370 86 HA HIS 11 HA HIS 11 189.090 -2.647 4.996 87 1HB HIS 11 HB2 HIS 11 191.922 -2.257 4.197 88 2HB HIS 11 HB1 HIS 11 190.766 -2.517 2.895 89 HD1 HIS 11 HD1 HIS 11 189.101 -0.641 2.401 90 HD2 HIS 11 HD2 HIS 11 191.578 0.148 5.642 91 HE1 HIS 11 HE1 HIS 11 188.759 1.793 2.931 92 HE2 HIS 11 HE2 HIS 11 190.183 2.218 4.964 93 HA PRO 12 HA PRO 12 188.571 -7.121 4.276 94 1HB PRO 12 HB2 PRO 12 186.493 -5.908 2.537 95 2HB PRO 12 HB1 PRO 12 186.358 -7.230 3.696 96 1HG PRO 12 HG2 PRO 12 185.502 -4.675 4.186 97 2HG PRO 12 HG1 PRO 12 185.969 -5.824 5.446 98 1HD PRO 12 HD2 PRO 12 187.307 -3.391 4.593 99 2HD PRO 12 HD1 PRO 12 187.627 -4.409 6.004 100 H PHE 13 HN PHE 13 188.235 -8.379 2.186 101 HA PHE 13 HA PHE 13 190.249 -7.587 0.334 102 1HB PHE 13 HB2 PHE 13 189.539 -9.994 0.993 103 2HB PHE 13 HB1 PHE 13 188.276 -9.787 -0.218 104 HD1 PHE 13 HD1 PHE 13 191.354 -11.177 0.254 105 HD2 PHE 13 HD2 PHE 13 189.328 -8.608 -2.471 106 HE1 PHE 13 HE1 PHE 13 192.970 -11.772 -1.507 107 HE2 PHE 13 HE2 PHE 13 190.940 -9.198 -4.231 108 HZ PHE 13 HZ PHE 13 192.766 -10.775 -3.750 109 H GLU 14 HN GLU 14 186.715 -7.876 0.153 110 HA GLU 14 HA GLU 14 186.335 -7.180 -2.492 111 1HB GLU 14 HB2 GLU 14 184.726 -7.288 -0.098 112 2HB GLU 14 HB1 GLU 14 184.264 -5.908 -1.085 113 1HG GLU 14 HG2 GLU 14 183.236 -7.197 -2.567 114 2HG GLU 14 HG1 GLU 14 184.613 -8.290 -2.683 115 H LYS 15 HN LYS 15 187.405 -5.233 0.121 116 HA LYS 15 HA LYS 15 186.821 -2.725 -1.197 117 1HB LYS 15 HB2 LYS 15 188.561 -3.092 1.232 118 2HB LYS 15 HB1 LYS 15 187.619 -1.683 0.761 119 1HG LYS 15 HG2 LYS 15 186.124 -4.174 1.253 120 2HG LYS 15 HG1 LYS 15 186.841 -3.372 2.646 121 1HD LYS 15 HD2 LYS 15 185.515 -1.539 2.450 122 2HD LYS 15 HD1 LYS 15 185.382 -1.700 0.693 123 1HE LYS 15 HE2 LYS 15 183.522 -2.910 0.840 124 2HE LYS 15 HE1 LYS 15 184.188 -3.927 2.114 125 1HZ LYS 15 HZ1 LYS 15 182.221 -2.663 2.824 126 2HZ LYS 15 HZ2 LYS 15 183.053 -1.217 2.543 127 3HZ LYS 15 HZ3 LYS 15 183.592 -2.283 3.741 128 H ARG 16 HN ARG 16 189.745 -4.480 -0.158 129 HA ARG 16 HA ARG 16 191.632 -2.799 -1.329 130 1HB ARG 16 HB2 ARG 16 191.685 -5.775 -0.819 131 2HB ARG 16 HB1 ARG 16 193.082 -4.877 -1.394 132 1HG ARG 16 HG2 ARG 16 193.059 -3.520 0.624 133 2HG ARG 16 HG1 ARG 16 191.626 -4.378 1.194 134 1HD ARG 16 HD2 ARG 16 193.388 -6.412 0.609 135 2HD ARG 16 HD1 ARG 16 194.434 -5.158 1.275 136 HE ARG 16 HE ARG 16 192.438 -5.242 3.067 137 1HH1 ARG 16 HH11 ARG 16 194.387 -7.757 1.630 138 2HH1 ARG 16 HH12 ARG 16 194.279 -8.800 3.008 139 1HH2 ARG 16 HH21 ARG 16 192.297 -6.613 4.878 140 2HH2 ARG 16 HH22 ARG 16 193.094 -8.150 4.852 141 H ARG 17 HN ARG 17 189.899 -5.580 -2.660 142 HA ARG 17 HA ARG 17 191.174 -5.547 -5.195 143 1HB ARG 17 HB2 ARG 17 189.918 -7.489 -4.200 144 2HB ARG 17 HB1 ARG 17 188.426 -6.622 -4.540 145 1HG ARG 17 HG2 ARG 17 188.873 -6.689 -6.906 146 2HG ARG 17 HG1 ARG 17 190.450 -7.428 -6.619 147 1HD ARG 17 HD2 ARG 17 189.570 -9.472 -6.226 148 2HD ARG 17 HD1 ARG 17 188.137 -8.819 -5.434 149 HE ARG 17 HE ARG 17 188.439 -9.470 -8.221 150 1HH1 ARG 17 HH11 ARG 17 186.654 -7.581 -5.891 151 2HH1 ARG 17 HH12 ARG 17 185.255 -7.428 -6.900 152 1HH2 ARG 17 HH21 ARG 17 186.600 -9.269 -9.550 153 2HH2 ARG 17 HH22 ARG 17 185.225 -8.387 -8.978 154 H SER 18 HN SER 18 187.903 -4.518 -4.209 155 HA SER 18 HA SER 18 187.028 -3.395 -6.534 156 1HB SER 18 HB2 SER 18 186.541 -2.592 -3.678 157 2HB SER 18 HB1 SER 18 185.749 -1.783 -5.030 158 HG SER 18 HG SER 18 185.000 -4.000 -3.862 159 H GLU 19 HN GLU 19 188.746 -1.651 -3.945 160 HA GLU 19 HA GLU 19 189.002 0.780 -5.297 161 1HB GLU 19 HB2 GLU 19 189.919 -0.367 -2.858 162 2HB GLU 19 HB1 GLU 19 191.284 0.400 -3.650 163 1HG GLU 19 HG2 GLU 19 190.362 2.494 -3.523 164 2HG GLU 19 HG1 GLU 19 188.713 1.875 -3.419 165 H GLY 20 HN GLY 20 191.230 -1.975 -5.079 166 1HA GLY 20 HA2 GLY 20 193.311 -0.882 -6.604 167 2HA GLY 20 HA1 GLY 20 193.005 -2.601 -6.394 168 H GLU 21 HN GLU 21 191.025 -3.372 -7.722 169 HA GLU 21 HA GLU 21 191.628 -3.367 -10.367 170 1HB GLU 21 HB2 GLU 21 190.134 -5.001 -9.711 171 2HB GLU 21 HB1 GLU 21 189.093 -3.863 -8.866 172 1HG GLU 21 HG2 GLU 21 187.904 -3.381 -10.704 173 2HG GLU 21 HG1 GLU 21 189.305 -3.477 -11.769 174 H LYS 22 HN LYS 22 189.536 -1.042 -8.699 175 HA LYS 22 HA LYS 22 188.675 0.230 -11.114 176 1HB LYS 22 HB2 LYS 22 187.188 0.528 -9.347 177 2HB LYS 22 HB1 LYS 22 188.465 0.878 -8.192 178 1HG LYS 22 HG2 LYS 22 187.972 2.765 -10.450 179 2HG LYS 22 HG1 LYS 22 186.898 2.776 -9.048 180 1HD LYS 22 HD2 LYS 22 189.465 2.717 -7.967 181 2HD LYS 22 HD1 LYS 22 189.584 3.827 -9.336 182 1HE LYS 22 HE2 LYS 22 187.562 5.004 -8.446 183 2HE LYS 22 HE1 LYS 22 187.669 3.983 -7.013 184 1HZ LYS 22 HZ1 LYS 22 189.670 5.957 -7.958 185 2HZ LYS 22 HZ2 LYS 22 189.960 4.859 -6.704 186 3HZ LYS 22 HZ3 LYS 22 188.749 6.029 -6.541 187 H ILE 23 HN ILE 23 190.967 1.065 -8.558 188 HA ILE 23 HA ILE 23 191.945 3.457 -9.537 189 HB ILE 23 HB ILE 23 193.067 1.251 -7.870 190 1HG1 ILE 23 HG12 ILE 23 193.058 4.090 -7.032 191 2HG1 ILE 23 HG11 ILE 23 191.485 3.349 -7.308 192 1HG2 ILE 23 HG21 ILE 23 194.951 2.195 -9.303 193 2HG2 ILE 23 HG22 ILE 23 195.174 2.266 -7.558 194 3HG2 ILE 23 HG23 ILE 23 194.701 3.711 -8.440 195 1HD1 ILE 23 HD11 ILE 23 192.975 3.251 -5.000 196 2HD1 ILE 23 HD12 ILE 23 193.221 1.664 -5.728 197 3HD1 ILE 23 HD13 ILE 23 191.586 2.240 -5.399 198 H ARG 24 HN ARG 24 192.429 0.215 -10.649 199 HA ARG 24 HA ARG 24 194.645 0.924 -12.387 200 1HB ARG 24 HB2 ARG 24 193.159 -1.700 -12.272 201 2HB ARG 24 HB1 ARG 24 194.767 -1.405 -12.919 202 1HG ARG 24 HG2 ARG 24 194.237 -0.820 -10.050 203 2HG ARG 24 HG1 ARG 24 194.434 -2.494 -10.560 204 1HD ARG 24 HD2 ARG 24 196.398 -0.237 -10.637 205 2HD ARG 24 HD1 ARG 24 196.582 -1.846 -9.941 206 HE ARG 24 HE ARG 24 197.211 -1.062 -12.591 207 1HH1 ARG 24 HH11 ARG 24 195.920 -3.735 -10.755 208 2HH1 ARG 24 HH12 ARG 24 196.417 -4.928 -11.907 209 1HH2 ARG 24 HH21 ARG 24 197.866 -2.630 -14.104 210 2HH2 ARG 24 HH22 ARG 24 197.523 -4.301 -13.807 211 H LYS 25 HN LYS 25 191.218 0.835 -12.523 212 HA LYS 25 HA LYS 25 190.904 0.275 -15.296 213 1HB LYS 25 HB2 LYS 25 189.110 1.649 -13.293 214 2HB LYS 25 HB1 LYS 25 188.632 1.304 -14.947 215 1HG LYS 25 HG2 LYS 25 189.156 -0.616 -12.716 216 2HG LYS 25 HG1 LYS 25 187.685 -0.394 -13.658 217 1HD LYS 25 HD2 LYS 25 189.503 -1.010 -15.586 218 2HD LYS 25 HD1 LYS 25 190.071 -1.983 -14.227 219 1HE LYS 25 HE2 LYS 25 187.201 -1.960 -15.125 220 2HE LYS 25 HE1 LYS 25 188.393 -3.077 -15.790 221 1HZ LYS 25 HZ1 LYS 25 188.755 -3.988 -13.614 222 2HZ LYS 25 HZ2 LYS 25 187.097 -4.026 -13.946 223 3HZ LYS 25 HZ3 LYS 25 187.724 -2.848 -12.906 224 H LYS 26 HN LYS 26 190.693 3.262 -13.396 225 HA LYS 26 HA LYS 26 190.767 4.858 -15.787 226 1HB LYS 26 HB2 LYS 26 189.407 5.258 -13.604 227 2HB LYS 26 HB1 LYS 26 190.880 6.054 -13.073 228 1HG LYS 26 HG2 LYS 26 190.447 7.071 -15.608 229 2HG LYS 26 HG1 LYS 26 188.832 6.964 -14.906 230 1HD LYS 26 HD2 LYS 26 191.129 8.193 -13.414 231 2HD LYS 26 HD1 LYS 26 190.151 9.128 -14.545 232 1HE LYS 26 HE2 LYS 26 188.172 8.742 -13.271 233 2HE LYS 26 HE1 LYS 26 188.991 7.563 -12.248 234 1HZ LYS 26 HZ1 LYS 26 189.036 10.463 -12.134 235 2HZ LYS 26 HZ2 LYS 26 190.520 9.701 -11.858 236 3HZ LYS 26 HZ3 LYS 26 189.186 9.327 -10.890 237 H TYR 27 HN TYR 27 192.884 4.124 -13.072 238 HA TYR 27 HA TYR 27 194.960 5.796 -14.317 239 1HB TYR 27 HB2 TYR 27 195.561 4.655 -11.672 240 2HB TYR 27 HB1 TYR 27 195.798 6.288 -12.273 241 HD1 TYR 27 HD1 TYR 27 192.997 7.059 -12.921 242 HD2 TYR 27 HD2 TYR 27 194.594 4.940 -9.601 243 HE1 TYR 27 HE1 TYR 27 191.116 7.824 -11.530 244 HE2 TYR 27 HE2 TYR 27 192.713 5.688 -8.202 245 HH TYR 27 HH TYR 27 190.841 8.165 -8.827 246 HA PRO 28 HA PRO 28 196.117 1.420 -15.348 247 1HB PRO 28 HB2 PRO 28 197.015 1.990 -17.824 248 2HB PRO 28 HB1 PRO 28 195.319 1.636 -17.466 249 1HG PRO 28 HG2 PRO 28 196.679 4.279 -17.714 250 2HG PRO 28 HG1 PRO 28 195.166 3.742 -18.456 251 1HD PRO 28 HD2 PRO 28 195.158 5.270 -16.272 252 2HD PRO 28 HD1 PRO 28 193.985 3.946 -16.459 253 H ASP 29 HN ASP 29 197.739 4.417 -15.089 254 HA ASP 29 HA ASP 29 200.365 3.133 -15.380 255 1HB ASP 29 HB2 ASP 29 199.399 5.948 -15.627 256 2HB ASP 29 HB1 ASP 29 201.070 5.669 -15.146 257 H ARG 30 HN ARG 30 198.174 4.136 -13.006 258 HA ARG 30 HA ARG 30 200.247 4.643 -11.008 259 1HB ARG 30 HB2 ARG 30 197.237 4.828 -10.889 260 2HB ARG 30 HB1 ARG 30 198.289 5.118 -9.514 261 1HG ARG 30 HG2 ARG 30 199.233 6.708 -11.651 262 2HG ARG 30 HG1 ARG 30 197.483 6.916 -11.556 263 1HD ARG 30 HD2 ARG 30 197.712 7.361 -9.136 264 2HD ARG 30 HD1 ARG 30 199.465 7.272 -9.319 265 HE ARG 30 HE ARG 30 197.794 9.486 -9.947 266 1HH1 ARG 30 HH11 ARG 30 200.697 7.830 -10.953 267 2HH1 ARG 30 HH12 ARG 30 201.397 9.236 -11.678 268 1HH2 ARG 30 HH21 ARG 30 198.715 11.338 -10.897 269 2HH2 ARG 30 HH22 ARG 30 200.275 11.228 -11.644 270 H VAL 31 HN VAL 31 200.084 3.561 -8.902 271 HA VAL 31 HA VAL 31 198.914 0.874 -9.040 272 HB VAL 31 HB VAL 31 200.859 -0.149 -8.047 273 1HG1 VAL 31 HG11 VAL 31 200.690 0.681 -10.633 274 2HG1 VAL 31 HG12 VAL 31 201.910 -0.425 -10.002 275 3HG1 VAL 31 HG13 VAL 31 202.276 1.293 -10.163 276 1HG2 VAL 31 HG21 VAL 31 202.953 1.632 -8.229 277 2HG2 VAL 31 HG22 VAL 31 202.149 1.126 -6.744 278 3HG2 VAL 31 HG23 VAL 31 201.651 2.612 -7.555 279 HA PRO 32 HA PRO 32 197.349 2.406 -5.120 280 1HB PRO 32 HB2 PRO 32 195.997 0.134 -4.435 281 2HB PRO 32 HB1 PRO 32 195.362 1.346 -5.553 282 1HG PRO 32 HG2 PRO 32 196.678 -1.270 -6.139 283 2HG PRO 32 HG1 PRO 32 195.290 -0.511 -6.935 284 1HD PRO 32 HD2 PRO 32 197.786 -0.479 -7.993 285 2HD PRO 32 HD1 PRO 32 196.621 0.833 -8.250 286 H VAL 33 HN VAL 33 198.965 2.552 -3.663 287 HA VAL 33 HA VAL 33 200.166 0.055 -2.705 288 HB VAL 33 HB VAL 33 201.283 2.853 -2.592 289 1HG1 VAL 33 HG11 VAL 33 202.416 2.032 -0.832 290 2HG1 VAL 33 HG12 VAL 33 203.372 1.205 -2.062 291 3HG1 VAL 33 HG13 VAL 33 202.058 0.356 -1.249 292 1HG2 VAL 33 HG21 VAL 33 202.097 0.462 -4.254 293 2HG2 VAL 33 HG22 VAL 33 202.925 2.021 -4.206 294 3HG2 VAL 33 HG23 VAL 33 201.282 1.917 -4.841 295 H ILE 34 HN ILE 34 200.351 -0.398 -0.551 296 HA ILE 34 HA ILE 34 198.944 1.395 1.307 297 HB ILE 34 HB ILE 34 199.076 -1.595 1.680 298 1HG1 ILE 34 HG12 ILE 34 197.891 -1.232 -0.407 299 2HG1 ILE 34 HG11 ILE 34 196.713 -1.609 0.848 300 1HG2 ILE 34 HG21 ILE 34 197.604 0.696 2.933 301 2HG2 ILE 34 HG22 ILE 34 198.561 -0.569 3.705 302 3HG2 ILE 34 HG23 ILE 34 196.971 -0.946 3.037 303 1HD1 ILE 34 HD11 ILE 34 196.359 0.371 -0.856 304 2HD1 ILE 34 HD12 ILE 34 197.324 1.246 0.332 305 3HD1 ILE 34 HD13 ILE 34 195.812 0.478 0.818 306 H VAL 35 HN VAL 35 201.105 2.305 1.554 307 HA VAL 35 HA VAL 35 203.291 0.890 2.589 308 HB VAL 35 HB VAL 35 202.598 3.784 3.112 309 1HG1 VAL 35 HG11 VAL 35 205.095 2.162 3.429 310 2HG1 VAL 35 HG12 VAL 35 204.337 3.283 4.565 311 3HG1 VAL 35 HG13 VAL 35 205.174 3.900 3.140 312 1HG2 VAL 35 HG21 VAL 35 204.110 2.505 0.839 313 2HG2 VAL 35 HG22 VAL 35 204.057 4.239 1.159 314 3HG2 VAL 35 HG23 VAL 35 202.579 3.374 0.738 315 H GLU 36 HN GLU 36 204.175 0.957 4.773 316 HA GLU 36 HA GLU 36 202.296 1.454 6.936 317 1HB GLU 36 HB2 GLU 36 202.575 -1.114 5.840 318 2HB GLU 36 HB1 GLU 36 203.480 -1.150 7.344 319 1HG GLU 36 HG2 GLU 36 201.150 0.141 8.039 320 2HG GLU 36 HG1 GLU 36 200.612 -1.084 6.892 321 H LYS 37 HN LYS 37 203.287 1.415 9.037 322 HA LYS 37 HA LYS 37 206.152 1.991 8.882 323 1HB LYS 37 HB2 LYS 37 204.391 3.568 9.964 324 2HB LYS 37 HB1 LYS 37 204.431 2.440 11.311 325 1HG LYS 37 HG2 LYS 37 207.110 3.063 10.652 326 2HG LYS 37 HG1 LYS 37 206.207 4.577 10.717 327 1HD LYS 37 HD2 LYS 37 207.068 4.119 12.907 328 2HD LYS 37 HD1 LYS 37 205.319 3.874 12.937 329 1HE LYS 37 HE2 LYS 37 205.502 1.603 13.151 330 2HE LYS 37 HE1 LYS 37 207.061 1.548 12.330 331 1HZ LYS 37 HZ1 LYS 37 207.874 2.804 14.416 332 2HZ LYS 37 HZ2 LYS 37 207.625 1.135 14.509 333 3HZ LYS 37 HZ3 LYS 37 206.470 2.196 15.139 334 H ALA 38 HN ALA 38 206.927 -0.082 8.785 335 HA ALA 38 HA ALA 38 206.401 -2.384 9.956 336 1HB ALA 38 HB1 ALA 38 208.654 -2.984 9.822 337 2HB ALA 38 HB2 ALA 38 209.200 -1.344 10.187 338 3HB ALA 38 HB3 ALA 38 208.465 -1.706 8.621 339 HA PRO 39 HA PRO 39 206.027 -2.023 14.361 340 1HB PRO 39 HB2 PRO 39 206.982 -4.588 14.924 341 2HB PRO 39 HB1 PRO 39 205.297 -4.156 14.613 342 1HG PRO 39 HG2 PRO 39 207.334 -5.303 12.784 343 2HG PRO 39 HG1 PRO 39 205.594 -5.619 12.867 344 1HD PRO 39 HD2 PRO 39 206.649 -4.087 10.944 345 2HD PRO 39 HD1 PRO 39 205.070 -3.705 11.662 346 H LYS 40 HN LYS 40 207.345 -1.786 16.169 347 HA LYS 40 HA LYS 40 209.226 -1.415 17.374 348 1HB LYS 40 HB2 LYS 40 210.320 -3.367 15.373 349 2HB LYS 40 HB1 LYS 40 211.370 -2.596 16.552 350 1HG LYS 40 HG2 LYS 40 210.851 -4.408 17.778 351 2HG LYS 40 HG1 LYS 40 209.422 -3.457 18.183 352 1HD LYS 40 HD2 LYS 40 208.688 -4.675 15.835 353 2HD LYS 40 HD1 LYS 40 209.661 -5.918 16.623 354 1HE LYS 40 HE2 LYS 40 207.396 -6.231 17.303 355 2HE LYS 40 HE1 LYS 40 208.281 -5.575 18.680 356 1HZ LYS 40 HZ1 LYS 40 205.975 -4.604 17.978 357 2HZ LYS 40 HZ2 LYS 40 206.906 -3.710 16.884 358 3HZ LYS 40 HZ3 LYS 40 207.202 -3.586 18.545 359 H ALA 41 HN ALA 41 209.155 -0.606 14.005 360 HA ALA 41 HA ALA 41 211.493 0.722 13.554 361 1HB ALA 41 HB1 ALA 41 209.505 0.447 11.980 362 2HB ALA 41 HB2 ALA 41 210.398 1.968 11.894 363 3HB ALA 41 HB3 ALA 41 208.856 1.903 12.740 364 H ARG 42 HN ARG 42 212.384 2.596 14.176 365 HA ARG 42 HA ARG 42 211.203 3.948 16.461 366 1HB ARG 42 HB2 ARG 42 213.934 4.486 15.317 367 2HB ARG 42 HB1 ARG 42 213.363 4.781 16.955 368 1HG ARG 42 HG2 ARG 42 213.155 1.986 16.241 369 2HG ARG 42 HG1 ARG 42 214.805 2.590 16.064 370 1HD ARG 42 HD2 ARG 42 215.016 3.067 18.300 371 2HD ARG 42 HD1 ARG 42 213.282 3.290 18.525 372 HE ARG 42 HE ARG 42 213.077 1.048 18.960 373 1HH1 ARG 42 HH11 ARG 42 216.221 1.659 17.574 374 2HH1 ARG 42 HH12 ARG 42 216.810 0.062 17.891 375 1HH2 ARG 42 HH21 ARG 42 213.849 -1.053 19.378 376 2HH2 ARG 42 HH22 ARG 42 215.462 -1.478 18.914 377 H ILE 43 HN ILE 43 210.022 4.360 13.994 378 HA ILE 43 HA ILE 43 210.577 7.214 13.501 379 HB ILE 43 HB ILE 43 209.443 6.616 11.227 380 1HG1 ILE 43 HG12 ILE 43 210.626 3.961 12.051 381 2HG1 ILE 43 HG11 ILE 43 208.907 4.298 11.870 382 1HG2 ILE 43 HG21 ILE 43 211.811 5.838 10.426 383 2HG2 ILE 43 HG22 ILE 43 212.266 6.233 12.084 384 3HG2 ILE 43 HG23 ILE 43 211.565 7.471 11.044 385 1HD1 ILE 43 HD11 ILE 43 209.228 3.417 9.847 386 2HD1 ILE 43 HD12 ILE 43 210.958 3.773 9.846 387 3HD1 ILE 43 HD13 ILE 43 209.796 5.041 9.453 388 H GLY 44 HN GLY 44 208.651 8.337 12.524 389 1HA GLY 44 HA2 GLY 44 206.461 8.173 14.299 390 2HA GLY 44 HA1 GLY 44 206.510 9.122 12.820 391 H ASP 45 HN ASP 45 204.407 7.365 14.092 392 HA ASP 45 HA ASP 45 204.099 5.203 12.198 393 1HB ASP 45 HB2 ASP 45 202.157 6.186 14.295 394 2HB ASP 45 HB1 ASP 45 202.076 4.657 13.426 395 H LEU 46 HN LEU 46 202.986 5.238 10.372 396 HA LEU 46 HA LEU 46 201.649 7.699 9.595 397 1HB LEU 46 HB2 LEU 46 203.108 5.626 8.251 398 2HB LEU 46 HB1 LEU 46 201.522 5.787 7.518 399 HG LEU 46 HG LEU 46 203.031 8.287 8.007 400 1HD1 LEU 46 HD11 LEU 46 204.027 6.089 6.336 401 2HD1 LEU 46 HD12 LEU 46 204.878 7.477 7.014 402 3HD1 LEU 46 HD13 LEU 46 203.936 7.655 5.533 403 1HD2 LEU 46 HD21 LEU 46 202.074 8.599 5.608 404 2HD2 LEU 46 HD22 LEU 46 200.990 8.664 6.997 405 3HD2 LEU 46 HD23 LEU 46 201.084 7.198 6.021 406 H ASP 47 HN ASP 47 199.517 7.884 9.097 407 HA ASP 47 HA ASP 47 197.811 5.590 9.792 408 1HB ASP 47 HB2 ASP 47 196.028 7.340 10.131 409 2HB ASP 47 HB1 ASP 47 197.378 7.431 11.259 410 H LYS 48 HN LYS 48 198.885 7.486 7.216 411 HA LYS 48 HA LYS 48 196.579 7.526 5.573 412 1HB LYS 48 HB2 LYS 48 198.677 8.928 5.315 413 2HB LYS 48 HB1 LYS 48 199.450 7.500 4.644 414 1HG LYS 48 HG2 LYS 48 197.793 7.452 2.844 415 2HG LYS 48 HG1 LYS 48 197.035 8.898 3.516 416 1HD LYS 48 HD2 LYS 48 199.041 10.185 3.129 417 2HD LYS 48 HD1 LYS 48 199.906 8.742 2.598 418 1HE LYS 48 HE2 LYS 48 199.287 9.898 0.632 419 2HE LYS 48 HE1 LYS 48 198.181 8.530 0.767 420 1HZ LYS 48 HZ1 LYS 48 197.502 11.246 1.740 421 2HZ LYS 48 HZ2 LYS 48 196.457 9.937 1.507 422 3HZ LYS 48 HZ3 LYS 48 197.144 10.718 0.173 423 H LYS 49 HN LYS 49 199.508 5.518 5.341 424 HA LYS 49 HA LYS 49 199.867 3.395 4.655 425 1HB LYS 49 HB2 LYS 49 196.922 3.207 5.230 426 2HB LYS 49 HB1 LYS 49 197.790 1.847 4.525 427 1HG LYS 49 HG2 LYS 49 199.136 2.969 6.848 428 2HG LYS 49 HG1 LYS 49 197.512 2.377 7.203 429 1HD LYS 49 HD2 LYS 49 198.635 0.424 5.565 430 2HD LYS 49 HD1 LYS 49 199.939 0.903 6.650 431 1HE LYS 49 HE2 LYS 49 197.259 -0.262 7.314 432 2HE LYS 49 HE1 LYS 49 198.859 -0.826 7.789 433 1HZ LYS 49 HZ1 LYS 49 197.217 1.292 8.951 434 2HZ LYS 49 HZ2 LYS 49 198.892 1.526 8.951 435 3HZ LYS 49 HZ3 LYS 49 198.230 0.169 9.710 436 H LYS 50 HN LYS 50 196.811 4.468 3.125 437 HA LYS 50 HA LYS 50 197.379 3.164 0.675 438 1HB LYS 50 HB2 LYS 50 195.100 3.871 1.551 439 2HB LYS 50 HB1 LYS 50 195.507 5.499 1.030 440 1HG LYS 50 HG2 LYS 50 194.510 4.899 -0.878 441 2HG LYS 50 HG1 LYS 50 196.039 4.086 -1.223 442 1HD LYS 50 HD2 LYS 50 194.774 2.252 -1.484 443 2HD LYS 50 HD1 LYS 50 194.731 2.218 0.279 444 1HE LYS 50 HE2 LYS 50 192.489 2.018 -0.429 445 2HE LYS 50 HE1 LYS 50 192.676 3.679 0.129 446 1HZ LYS 50 HZ1 LYS 50 193.281 3.873 -2.490 447 2HZ LYS 50 HZ2 LYS 50 191.760 4.197 -1.826 448 3HZ LYS 50 HZ3 LYS 50 192.078 2.683 -2.507 449 H TYR 51 HN TYR 51 198.198 3.888 -1.222 450 HA TYR 51 HA TYR 51 198.973 6.663 -1.546 451 1HB TYR 51 HB2 TYR 51 200.970 4.414 -1.335 452 2HB TYR 51 HB1 TYR 51 201.336 5.914 -2.181 453 HD1 TYR 51 HD1 TYR 51 201.570 8.009 -0.948 454 HD2 TYR 51 HD2 TYR 51 200.808 4.342 1.058 455 HE1 TYR 51 HE1 TYR 51 202.224 9.047 1.180 456 HE2 TYR 51 HE2 TYR 51 201.458 5.367 3.197 457 HH TYR 51 HH TYR 51 203.202 7.780 3.622 458 H LEU 52 HN LEU 52 198.461 7.203 -3.558 459 HA LEU 52 HA LEU 52 198.250 5.082 -5.569 460 1HB LEU 52 HB2 LEU 52 196.477 7.009 -4.968 461 2HB LEU 52 HB1 LEU 52 197.401 7.859 -6.191 462 HG LEU 52 HG LEU 52 196.877 6.184 -7.845 463 1HD1 LEU 52 HD11 LEU 52 194.959 4.545 -6.642 464 2HD1 LEU 52 HD12 LEU 52 196.327 4.566 -5.531 465 3HD1 LEU 52 HD13 LEU 52 196.563 4.082 -7.210 466 1HD2 LEU 52 HD21 LEU 52 195.078 7.937 -6.776 467 2HD2 LEU 52 HD22 LEU 52 194.184 6.418 -6.722 468 3HD2 LEU 52 HD23 LEU 52 194.832 7.005 -8.253 469 H VAL 53 HN VAL 53 200.644 5.074 -5.529 470 HA VAL 53 HA VAL 53 201.952 7.299 -6.854 471 HB VAL 53 HB VAL 53 203.940 5.566 -6.749 472 1HG1 VAL 53 HG11 VAL 53 203.323 7.764 -5.389 473 2HG1 VAL 53 HG12 VAL 53 204.702 6.751 -4.966 474 3HG1 VAL 53 HG13 VAL 53 203.189 6.598 -4.073 475 1HG2 VAL 53 HG21 VAL 53 203.819 3.975 -4.998 476 2HG2 VAL 53 HG22 VAL 53 202.382 3.734 -5.991 477 3HG2 VAL 53 HG23 VAL 53 202.258 4.588 -4.453 478 HA PRO 54 HA PRO 54 201.832 5.858 -11.007 479 1HB PRO 54 HB2 PRO 54 204.745 6.378 -11.177 480 2HB PRO 54 HB1 PRO 54 203.423 7.054 -12.135 481 1HG PRO 54 HG2 PRO 54 204.681 8.519 -10.289 482 2HG PRO 54 HG1 PRO 54 202.936 8.679 -10.562 483 1HD PRO 54 HD2 PRO 54 204.391 7.262 -8.368 484 2HD PRO 54 HD1 PRO 54 202.898 8.221 -8.298 485 H SER 55 HN SER 55 203.508 4.574 -12.553 486 HA SER 55 HA SER 55 204.130 2.099 -11.089 487 1HB SER 55 HB2 SER 55 203.611 0.854 -13.032 488 2HB SER 55 HB1 SER 55 202.354 2.088 -12.947 489 HG SER 55 HG SER 55 204.640 2.035 -14.616 490 H ASP 56 HN ASP 56 205.508 4.699 -12.772 491 HA ASP 56 HA ASP 56 207.940 3.189 -13.398 492 1HB ASP 56 HB2 ASP 56 206.921 5.899 -14.246 493 2HB ASP 56 HB1 ASP 56 208.604 5.430 -14.477 494 H LEU 57 HN LEU 57 206.570 4.966 -10.951 495 HA LEU 57 HA LEU 57 208.615 6.618 -10.049 496 1HB LEU 57 HB2 LEU 57 206.318 6.645 -9.168 497 2HB LEU 57 HB1 LEU 57 206.603 5.092 -8.403 498 HG LEU 57 HG LEU 57 208.633 6.471 -7.328 499 1HD1 LEU 57 HD11 LEU 57 208.081 8.713 -6.856 500 2HD1 LEU 57 HD12 LEU 57 206.460 8.535 -7.531 501 3HD1 LEU 57 HD13 LEU 57 207.867 8.510 -8.595 502 1HD2 LEU 57 HD21 LEU 57 207.306 5.381 -5.820 503 2HD2 LEU 57 HD22 LEU 57 205.814 6.042 -6.487 504 3HD2 LEU 57 HD23 LEU 57 206.852 7.051 -5.480 505 H THR 58 HN THR 58 210.629 6.081 -9.531 506 HA THR 58 HA THR 58 211.399 3.388 -8.969 507 HB THR 58 HB THR 58 213.576 4.811 -8.239 508 HG1 THR 58 HG1 THR 58 212.387 6.436 -10.219 509 1HG2 THR 58 HG21 THR 58 212.710 3.471 -10.582 510 2HG2 THR 58 HG22 THR 58 214.355 3.756 -10.010 511 3HG2 THR 58 HG23 THR 58 213.569 4.937 -11.058 512 H VAL 59 HN VAL 59 212.033 2.459 -7.079 513 HA VAL 59 HA VAL 59 210.692 2.967 -4.762 514 HB VAL 59 HB VAL 59 213.332 1.635 -5.262 515 1HG1 VAL 59 HG11 VAL 59 211.960 1.977 -2.596 516 2HG1 VAL 59 HG12 VAL 59 213.602 2.453 -3.032 517 3HG1 VAL 59 HG13 VAL 59 213.182 0.744 -2.915 518 1HG2 VAL 59 HG21 VAL 59 211.602 0.305 -6.041 519 2HG2 VAL 59 HG22 VAL 59 210.526 0.753 -4.718 520 3HG2 VAL 59 HG23 VAL 59 211.884 -0.332 -4.420 521 H GLY 60 HN GLY 60 213.745 4.380 -5.816 522 1HA GLY 60 HA2 GLY 60 214.479 5.632 -3.405 523 2HA GLY 60 HA1 GLY 60 214.948 6.169 -5.015 524 H GLN 61 HN GLN 61 212.268 6.563 -5.962 525 HA GLN 61 HA GLN 61 211.822 9.227 -5.034 526 1HB GLN 61 HB2 GLN 61 210.204 7.464 -6.869 527 2HB GLN 61 HB1 GLN 61 209.904 9.177 -6.593 528 1HG GLN 61 HG2 GLN 61 212.203 9.635 -7.387 529 2HG GLN 61 HG1 GLN 61 212.335 7.933 -7.827 530 1HE2 GLN 61 HE21 GLN 61 209.694 7.577 -8.743 531 2HE2 GLN 61 HE22 GLN 61 209.516 8.433 -10.234 532 H PHE 62 HN PHE 62 210.042 6.171 -4.816 533 HA PHE 62 HA PHE 62 207.795 6.988 -3.434 534 1HB PHE 62 HB2 PHE 62 208.411 4.661 -4.346 535 2HB PHE 62 HB1 PHE 62 209.210 4.408 -2.797 536 HD1 PHE 62 HD1 PHE 62 206.036 6.190 -3.504 537 HD2 PHE 62 HD2 PHE 62 207.909 2.796 -1.757 538 HE1 PHE 62 HE1 PHE 62 203.885 5.514 -2.524 539 HE2 PHE 62 HE2 PHE 62 205.760 2.112 -0.771 540 HZ PHE 62 HZ PHE 62 203.746 3.476 -1.159 541 H TYR 63 HN TYR 63 210.978 6.128 -2.168 542 HA TYR 63 HA TYR 63 210.476 6.176 0.555 543 1HB TYR 63 HB2 TYR 63 212.851 6.738 -1.152 544 2HB TYR 63 HB1 TYR 63 212.935 7.208 0.543 545 HD1 TYR 63 HD1 TYR 63 212.159 5.295 2.222 546 HD2 TYR 63 HD2 TYR 63 213.585 4.671 -1.729 547 HE1 TYR 63 HE1 TYR 63 212.779 2.994 2.821 548 HE2 TYR 63 HE2 TYR 63 214.211 2.361 -1.149 549 HH TYR 63 HH TYR 63 213.583 0.645 0.514 550 H PHE 64 HN PHE 64 211.971 8.797 -1.250 551 HA PHE 64 HA PHE 64 211.921 10.827 0.512 552 1HB PHE 64 HB2 PHE 64 212.914 11.355 -1.507 553 2HB PHE 64 HB1 PHE 64 211.571 10.726 -2.450 554 HD1 PHE 64 HD1 PHE 64 212.540 13.544 -0.232 555 HD2 PHE 64 HD2 PHE 64 209.990 12.156 -3.343 556 HE1 PHE 64 HE1 PHE 64 211.696 15.833 -0.553 557 HE2 PHE 64 HE2 PHE 64 209.140 14.444 -3.671 558 HZ PHE 64 HZ PHE 64 209.994 16.285 -2.277 559 H LEU 65 HN LEU 65 209.110 9.723 -1.346 560 HA LEU 65 HA LEU 65 207.424 11.848 -0.511 561 1HB LEU 65 HB2 LEU 65 206.031 10.994 -2.014 562 2HB LEU 65 HB1 LEU 65 207.297 9.840 -2.388 563 HG LEU 65 HG LEU 65 206.282 8.399 -0.556 564 1HD1 LEU 65 HD11 LEU 65 204.290 8.932 0.378 565 2HD1 LEU 65 HD12 LEU 65 203.681 9.678 -1.099 566 3HD1 LEU 65 HD13 LEU 65 204.770 10.578 -0.039 567 1HD2 LEU 65 HD21 LEU 65 204.551 8.858 -2.975 568 2HD2 LEU 65 HD22 LEU 65 204.827 7.348 -2.108 569 3HD2 LEU 65 HD23 LEU 65 206.128 8.074 -3.054 570 H ILE 66 HN ILE 66 208.075 8.612 0.710 571 HA ILE 66 HA ILE 66 206.071 8.736 2.755 572 HB ILE 66 HB ILE 66 208.433 6.893 2.392 573 1HG1 ILE 66 HG12 ILE 66 206.799 6.670 0.614 574 2HG1 ILE 66 HG11 ILE 66 206.703 5.268 1.674 575 1HG2 ILE 66 HG21 ILE 66 208.077 6.439 4.570 576 2HG2 ILE 66 HG22 ILE 66 206.715 5.505 3.950 577 3HG2 ILE 66 HG23 ILE 66 206.457 7.140 4.560 578 1HD1 ILE 66 HD11 ILE 66 204.517 6.230 0.897 579 2HD1 ILE 66 HD12 ILE 66 204.857 7.623 1.924 580 3HD1 ILE 66 HD13 ILE 66 204.689 6.021 2.640 581 H ARG 67 HN ARG 67 209.526 9.356 2.531 582 HA ARG 67 HA ARG 67 210.331 9.504 5.131 583 1HB ARG 67 HB2 ARG 67 211.218 10.556 2.617 584 2HB ARG 67 HB1 ARG 67 211.427 11.791 3.851 585 1HG ARG 67 HG2 ARG 67 213.223 10.768 4.640 586 2HG ARG 67 HG1 ARG 67 212.330 9.260 4.848 587 1HD ARG 67 HD2 ARG 67 214.153 8.815 3.389 588 2HD ARG 67 HD1 ARG 67 212.685 8.820 2.412 589 HE ARG 67 HE ARG 67 213.774 11.389 2.351 590 1HH1 ARG 67 HH11 ARG 67 214.566 8.169 1.262 591 2HH1 ARG 67 HH12 ARG 67 215.491 8.721 -0.095 592 1HH2 ARG 67 HH21 ARG 67 214.987 12.117 0.567 593 2HH2 ARG 67 HH22 ARG 67 215.730 10.961 -0.489 594 H LYS 68 HN LYS 68 208.800 12.185 3.323 595 HA LYS 68 HA LYS 68 208.748 13.982 5.492 596 1HB LYS 68 HB2 LYS 68 206.840 13.867 3.157 597 2HB LYS 68 HB1 LYS 68 207.173 15.263 4.174 598 1HG LYS 68 HG2 LYS 68 209.276 15.592 3.249 599 2HG LYS 68 HG1 LYS 68 209.361 13.943 2.621 600 1HD LYS 68 HD2 LYS 68 207.104 15.451 1.569 601 2HD LYS 68 HD1 LYS 68 208.665 16.183 1.182 602 1HE LYS 68 HE2 LYS 68 209.437 14.139 0.185 603 2HE LYS 68 HE1 LYS 68 207.998 13.287 0.736 604 1HZ LYS 68 HZ1 LYS 68 208.048 15.488 -1.256 605 2HZ LYS 68 HZ2 LYS 68 206.656 14.696 -0.710 606 3HZ LYS 68 HZ3 LYS 68 207.819 13.846 -1.596 607 H ARG 69 HN ARG 69 206.368 11.662 4.277 608 HA ARG 69 HA ARG 69 204.227 12.260 5.927 609 1HB ARG 69 HB2 ARG 69 205.098 9.493 5.088 610 2HB ARG 69 HB1 ARG 69 203.478 9.981 5.567 611 1HG ARG 69 HG2 ARG 69 204.553 11.564 3.371 612 2HG ARG 69 HG1 ARG 69 204.419 9.844 3.000 613 1HD ARG 69 HD2 ARG 69 202.193 9.922 2.924 614 2HD ARG 69 HD1 ARG 69 202.088 10.905 4.382 615 HE ARG 69 HE ARG 69 202.110 11.833 1.647 616 1HH1 ARG 69 HH11 ARG 69 202.552 12.691 5.002 617 2HH1 ARG 69 HH12 ARG 69 202.261 14.377 4.738 618 1HH2 ARG 69 HH21 ARG 69 201.725 14.050 1.301 619 2HH2 ARG 69 HH22 ARG 69 201.790 15.148 2.638 620 H ILE 70 HN ILE 70 207.261 10.824 6.721 621 HA ILE 70 HA ILE 70 206.294 10.135 9.416 622 HB ILE 70 HB ILE 70 208.890 9.121 9.186 623 1HG1 ILE 70 HG12 ILE 70 207.366 8.111 6.806 624 2HG1 ILE 70 HG11 ILE 70 208.424 9.510 6.659 625 1HG2 ILE 70 HG21 ILE 70 206.475 8.276 10.056 626 2HG2 ILE 70 HG22 ILE 70 207.905 7.251 9.929 627 3HG2 ILE 70 HG23 ILE 70 206.700 7.249 8.641 628 1HD1 ILE 70 HD11 ILE 70 209.648 7.224 7.993 629 2HD1 ILE 70 HD12 ILE 70 210.269 8.281 6.721 630 3HD1 ILE 70 HD13 ILE 70 209.193 6.944 6.312 631 H HIS 71 HN HIS 71 207.825 12.538 7.798 632 HA HIS 71 HA HIS 71 208.902 14.399 8.472 633 1HB HIS 71 HB2 HIS 71 208.921 13.208 11.253 634 2HB HIS 71 HB1 HIS 71 209.245 14.884 10.827 635 HD1 HIS 71 HD1 HIS 71 207.310 16.407 11.025 636 HD2 HIS 71 HD2 HIS 71 206.119 12.459 10.513 637 HE1 HIS 71 HE1 HIS 71 204.803 16.432 11.208 638 HE2 HIS 71 HE2 HIS 71 204.111 14.020 10.979 639 H LEU 72 HN LEU 72 210.275 12.661 7.187 640 HA LEU 72 HA LEU 72 212.891 12.539 8.545 641 1HB LEU 72 HB2 LEU 72 211.820 10.713 6.399 642 2HB LEU 72 HB1 LEU 72 213.422 10.618 7.107 643 HG LEU 72 HG LEU 72 210.774 9.937 8.357 644 1HD1 LEU 72 HD11 LEU 72 212.222 8.304 7.023 645 2HD1 LEU 72 HD12 LEU 72 211.665 7.800 8.618 646 3HD1 LEU 72 HD13 LEU 72 213.323 8.361 8.398 647 1HD2 LEU 72 HD21 LEU 72 211.472 10.735 10.315 648 2HD2 LEU 72 HD22 LEU 72 213.072 11.102 9.677 649 3HD2 LEU 72 HD23 LEU 72 212.718 9.489 10.289 650 H ARG 73 HN ARG 73 214.002 14.230 7.814 651 HA ARG 73 HA ARG 73 213.601 15.362 5.219 652 1HB ARG 73 HB2 ARG 73 215.626 16.764 5.906 653 2HB ARG 73 HB1 ARG 73 214.157 16.923 6.856 654 1HG ARG 73 HG2 ARG 73 216.415 16.758 8.065 655 2HG ARG 73 HG1 ARG 73 215.057 15.816 8.674 656 1HD ARG 73 HD2 ARG 73 215.939 13.855 7.447 657 2HD ARG 73 HD1 ARG 73 217.323 14.828 6.959 658 HE ARG 73 HE ARG 73 216.934 13.554 9.472 659 1HH1 ARG 73 HH11 ARG 73 218.354 16.365 7.966 660 2HH1 ARG 73 HH12 ARG 73 219.527 16.597 9.218 661 1HH2 ARG 73 HH21 ARG 73 218.476 13.860 11.119 662 2HH2 ARG 73 HH22 ARG 73 219.597 15.175 11.008 663 H ALA 74 HN ALA 74 214.335 12.753 4.722 664 HA ALA 74 HA ALA 74 215.688 11.609 3.286 665 1HB ALA 74 HB1 ALA 74 217.552 13.923 3.021 666 2HB ALA 74 HB2 ALA 74 215.936 14.012 2.316 667 3HB ALA 74 HB3 ALA 74 217.049 12.739 1.814 668 H GLU 75 HN GLU 75 217.690 13.728 5.404 669 HA GLU 75 HA GLU 75 219.851 11.941 5.547 670 1HB GLU 75 HB2 GLU 75 218.938 14.219 7.244 671 2HB GLU 75 HB1 GLU 75 220.251 13.197 7.799 672 1HG GLU 75 HG2 GLU 75 220.579 14.059 5.046 673 2HG GLU 75 HG1 GLU 75 220.479 15.403 6.183 674 H ASP 76 HN ASP 76 216.803 12.002 7.198 675 HA ASP 76 HA ASP 76 217.516 10.312 9.367 676 1HB ASP 76 HB2 ASP 76 215.265 11.747 8.651 677 2HB ASP 76 HB1 ASP 76 214.744 10.072 8.505 678 H ALA 77 HN ALA 77 216.806 8.116 9.675 679 HA ALA 77 HA ALA 77 217.432 6.511 7.364 680 1HB ALA 77 HB1 ALA 77 217.398 4.623 8.927 681 2HB ALA 77 HB2 ALA 77 216.844 5.704 10.207 682 3HB ALA 77 HB3 ALA 77 218.438 5.933 9.487 683 H LEU 78 HN LEU 78 216.139 5.147 6.308 684 HA LEU 78 HA LEU 78 213.525 4.408 7.171 685 1HB LEU 78 HB2 LEU 78 213.057 6.702 6.469 686 2HB LEU 78 HB1 LEU 78 213.756 6.374 4.896 687 HG LEU 78 HG LEU 78 211.962 4.628 4.573 688 1HD1 LEU 78 HD11 LEU 78 211.185 4.132 6.704 689 2HD1 LEU 78 HD12 LEU 78 209.902 5.131 6.024 690 3HD1 LEU 78 HD13 LEU 78 211.055 5.831 7.159 691 1HD2 LEU 78 HD21 LEU 78 211.923 6.964 3.640 692 2HD2 LEU 78 HD22 LEU 78 210.887 7.407 4.996 693 3HD2 LEU 78 HD23 LEU 78 210.346 6.197 3.831 694 H PHE 79 HN PHE 79 213.348 2.400 6.459 695 HA PHE 79 HA PHE 79 214.319 1.770 3.751 696 1HB PHE 79 HB2 PHE 79 214.465 -0.062 6.159 697 2HB PHE 79 HB1 PHE 79 215.019 -0.438 4.532 698 HD1 PHE 79 HD1 PHE 79 217.198 0.038 3.887 699 HD2 PHE 79 HD2 PHE 79 215.602 1.862 7.387 700 HE1 PHE 79 HE1 PHE 79 219.431 0.905 4.449 701 HE2 PHE 79 HE2 PHE 79 217.833 2.734 7.953 702 HZ PHE 79 HZ PHE 79 219.750 2.256 6.483 703 H PHE 80 HN PHE 80 212.866 0.792 2.465 704 HA PHE 80 HA PHE 80 210.226 0.309 3.512 705 1HB PHE 80 HB2 PHE 80 211.414 0.238 0.749 706 2HB PHE 80 HB1 PHE 80 209.781 -0.342 1.057 707 HD1 PHE 80 HD1 PHE 80 209.217 1.793 3.254 708 HD2 PHE 80 HD2 PHE 80 210.737 1.997 -0.717 709 HE1 PHE 80 HE1 PHE 80 208.377 4.093 3.057 710 HE2 PHE 80 HE2 PHE 80 209.894 4.297 -0.920 711 HZ PHE 80 HZ PHE 80 208.714 5.348 0.969 712 H PHE 81 HN PHE 81 209.111 -1.641 3.513 713 HA PHE 81 HA PHE 81 210.670 -4.049 2.951 714 1HB PHE 81 HB2 PHE 81 209.182 -3.543 5.532 715 2HB PHE 81 HB1 PHE 81 209.932 -5.071 5.073 716 HD1 PHE 81 HD1 PHE 81 210.542 -1.612 6.101 717 HD2 PHE 81 HD2 PHE 81 212.311 -5.365 5.158 718 HE1 PHE 81 HE1 PHE 81 212.678 -0.837 7.043 719 HE2 PHE 81 HE2 PHE 81 214.450 -4.601 6.107 720 HZ PHE 81 HZ PHE 81 214.644 -2.332 7.042 721 H VAL 82 HN VAL 82 209.474 -4.668 1.227 722 HA VAL 82 HA VAL 82 206.570 -4.853 1.492 723 HB VAL 82 HB VAL 82 208.066 -5.629 -0.959 724 1HG1 VAL 82 HG11 VAL 82 205.831 -6.182 -1.183 725 2HG1 VAL 82 HG12 VAL 82 205.916 -4.596 -1.949 726 3HG1 VAL 82 HG13 VAL 82 205.292 -4.750 -0.308 727 1HG2 VAL 82 HG21 VAL 82 207.192 -2.814 -0.371 728 2HG2 VAL 82 HG22 VAL 82 208.058 -3.392 -1.793 729 3HG2 VAL 82 HG23 VAL 82 208.856 -3.375 -0.221 730 H ASN 83 HN ASN 83 205.758 -6.677 2.285 731 HA ASN 83 HA ASN 83 205.450 -8.888 2.745 732 1HB ASN 83 HB2 ASN 83 207.323 -9.399 0.419 733 2HB ASN 83 HB1 ASN 83 206.199 -10.550 1.135 734 1HD2 ASN 83 HD21 ASN 83 205.305 -10.822 -0.960 735 2HD2 ASN 83 HD22 ASN 83 204.190 -9.667 -1.597 736 H ASN 84 HN ASN 84 207.573 -7.294 3.907 737 HA ASN 84 HA ASN 84 209.134 -7.592 5.525 738 1HB ASN 84 HB2 ASN 84 208.074 -10.218 5.213 739 2HB ASN 84 HB1 ASN 84 209.820 -10.345 5.386 740 1HD2 ASN 84 HD21 ASN 84 210.787 -9.723 7.297 741 2HD2 ASN 84 HD22 ASN 84 209.885 -9.432 8.743 742 H VAL 85 HN VAL 85 209.697 -7.236 2.602 743 HA VAL 85 HA VAL 85 212.539 -7.988 2.717 744 HB VAL 85 HB VAL 85 210.986 -7.969 0.156 745 1HG1 VAL 85 HG11 VAL 85 213.163 -7.876 -0.486 746 2HG1 VAL 85 HG12 VAL 85 213.015 -9.625 -0.295 747 3HG1 VAL 85 HG13 VAL 85 213.744 -8.655 0.987 748 1HG2 VAL 85 HG21 VAL 85 210.728 -10.340 0.251 749 2HG2 VAL 85 HG22 VAL 85 210.068 -9.671 1.744 750 3HG2 VAL 85 HG23 VAL 85 211.659 -10.434 1.747 751 H ILE 86 HN ILE 86 213.967 -6.540 1.768 752 HA ILE 86 HA ILE 86 212.964 -3.829 1.521 753 HB ILE 86 HB ILE 86 215.800 -4.858 1.457 754 1HG1 ILE 86 HG12 ILE 86 213.955 -3.979 3.629 755 2HG1 ILE 86 HG11 ILE 86 215.176 -5.247 3.638 756 1HG2 ILE 86 HG21 ILE 86 216.567 -2.713 1.297 757 2HG2 ILE 86 HG22 ILE 86 215.137 -2.025 2.065 758 3HG2 ILE 86 HG23 ILE 86 215.072 -2.540 0.381 759 1HD1 ILE 86 HD11 ILE 86 216.925 -3.563 3.790 760 2HD1 ILE 86 HD12 ILE 86 215.772 -3.418 5.115 761 3HD1 ILE 86 HD13 ILE 86 215.704 -2.292 3.764 762 HA PRO 87 HA PRO 87 212.968 -4.433 -2.954 763 1HB PRO 87 HB2 PRO 87 211.715 -2.116 -3.568 764 2HB PRO 87 HB1 PRO 87 210.846 -3.524 -2.949 765 1HG PRO 87 HG2 PRO 87 211.771 -1.077 -1.492 766 2HG PRO 87 HG1 PRO 87 210.221 -1.933 -1.373 767 1HD PRO 87 HD2 PRO 87 212.227 -2.249 0.433 768 2HD PRO 87 HD1 PRO 87 211.073 -3.537 0.037 769 HA PRO 88 HA PRO 88 216.563 -2.073 -4.012 770 1HB PRO 88 HB2 PRO 88 215.800 -2.278 -6.832 771 2HB PRO 88 HB1 PRO 88 217.157 -3.025 -5.986 772 1HG PRO 88 HG2 PRO 88 215.060 -4.465 -6.881 773 2HG PRO 88 HG1 PRO 88 215.939 -4.892 -5.402 774 1HD PRO 88 HD2 PRO 88 213.325 -3.460 -5.702 775 2HD PRO 88 HD1 PRO 88 213.785 -4.742 -4.561 776 H THR 89 HN THR 89 216.963 0.054 -4.100 777 HA THR 89 HA THR 89 214.958 1.971 -4.409 778 HB THR 89 HB THR 89 216.963 3.566 -4.723 779 HG1 THR 89 HG1 THR 89 218.342 1.753 -5.410 780 1HG2 THR 89 HG21 THR 89 217.153 1.885 -2.253 781 2HG2 THR 89 HG22 THR 89 215.806 2.989 -2.536 782 3HG2 THR 89 HG23 THR 89 217.453 3.612 -2.444 783 H SER 90 HN SER 90 216.980 0.407 -6.750 784 HA SER 90 HA SER 90 216.548 2.319 -8.844 785 1HB SER 90 HB2 SER 90 218.536 0.795 -8.737 786 2HB SER 90 HB1 SER 90 217.461 -0.555 -9.097 787 HG SER 90 HG SER 90 218.545 0.398 -10.949 788 H ALA 91 HN ALA 91 214.998 -0.613 -7.729 789 HA ALA 91 HA ALA 91 213.435 -1.200 -9.975 790 1HB ALA 91 HB1 ALA 91 213.789 -2.552 -7.804 791 2HB ALA 91 HB2 ALA 91 212.226 -2.644 -8.616 792 3HB ALA 91 HB3 ALA 91 212.420 -1.625 -7.190 793 H THR 92 HN THR 92 211.171 -0.821 -10.345 794 HA THR 92 HA THR 92 210.349 1.848 -9.436 795 HB THR 92 HB THR 92 208.995 1.986 -11.425 796 HG1 THR 92 HG1 THR 92 208.254 0.211 -12.222 797 1HG2 THR 92 HG21 THR 92 210.829 2.639 -12.474 798 2HG2 THR 92 HG22 THR 92 210.990 0.989 -13.073 799 3HG2 THR 92 HG23 THR 92 211.823 1.476 -11.598 800 H MET 93 HN MET 93 208.278 2.232 -8.668 801 HA MET 93 HA MET 93 207.124 0.441 -6.956 802 1HB MET 93 HB2 MET 93 205.831 2.697 -8.488 803 2HB MET 93 HB1 MET 93 205.023 1.823 -7.195 804 1HG MET 93 HG2 MET 93 207.485 3.528 -6.993 805 2HG MET 93 HG1 MET 93 205.892 3.853 -6.316 806 1HE MET 93 HE1 MET 93 205.722 0.745 -3.785 807 2HE MET 93 HE2 MET 93 205.747 0.334 -5.500 808 3HE MET 93 HE3 MET 93 204.774 1.691 -4.933 809 H GLY 94 HN GLY 94 206.456 0.866 -10.390 810 1HA GLY 94 HA2 GLY 94 204.195 -0.797 -10.562 811 2HA GLY 94 HA1 GLY 94 205.296 -0.433 -11.885 812 H GLN 95 HN GLN 95 207.651 -1.521 -10.833 813 HA GLN 95 HA GLN 95 207.371 -4.223 -11.558 814 1HB GLN 95 HB2 GLN 95 209.600 -2.781 -10.113 815 2HB GLN 95 HB1 GLN 95 209.712 -4.448 -10.661 816 1HG GLN 95 HG2 GLN 95 209.567 -3.805 -12.935 817 2HG GLN 95 HG1 GLN 95 209.117 -2.155 -12.507 818 1HE2 GLN 95 HE21 GLN 95 210.773 -1.105 -13.480 819 2HE2 GLN 95 HE22 GLN 95 212.429 -1.274 -13.017 820 H LEU 96 HN LEU 96 207.523 -2.593 -8.441 821 HA LEU 96 HA LEU 96 207.600 -4.949 -6.861 822 1HB LEU 96 HB2 LEU 96 206.493 -2.241 -6.101 823 2HB LEU 96 HB1 LEU 96 206.977 -3.514 -4.997 824 HG LEU 96 HG LEU 96 208.762 -1.817 -6.733 825 1HD1 LEU 96 HD11 LEU 96 209.753 -1.178 -4.608 826 2HD1 LEU 96 HD12 LEU 96 208.639 -2.243 -3.751 827 3HD1 LEU 96 HD13 LEU 96 208.023 -0.834 -4.616 828 1HD2 LEU 96 HD21 LEU 96 209.624 -4.120 -4.992 829 2HD2 LEU 96 HD22 LEU 96 210.633 -3.125 -6.044 830 3HD2 LEU 96 HD23 LEU 96 209.447 -4.227 -6.744 831 H TYR 97 HN TYR 97 204.990 -2.832 -7.961 832 HA TYR 97 HA TYR 97 202.870 -4.159 -6.687 833 1HB TYR 97 HB2 TYR 97 202.559 -1.953 -7.620 834 2HB TYR 97 HB1 TYR 97 202.923 -2.544 -9.240 835 HD1 TYR 97 HD1 TYR 97 200.367 -1.905 -6.859 836 HD2 TYR 97 HD2 TYR 97 201.341 -4.334 -10.212 837 HE1 TYR 97 HE1 TYR 97 197.975 -2.358 -7.216 838 HE2 TYR 97 HE2 TYR 97 198.951 -4.792 -10.582 839 HH TYR 97 HH TYR 97 196.666 -4.452 -8.440 840 H GLN 98 HN GLN 98 204.662 -4.874 -9.591 841 HA GLN 98 HA GLN 98 202.706 -6.793 -10.515 842 1HB GLN 98 HB2 GLN 98 205.464 -6.124 -11.530 843 2HB GLN 98 HB1 GLN 98 204.345 -7.234 -12.308 844 1HG GLN 98 HG2 GLN 98 202.910 -4.868 -11.936 845 2HG GLN 98 HG1 GLN 98 204.508 -4.376 -12.494 846 1HE2 GLN 98 HE21 GLN 98 204.608 -4.137 -14.594 847 2HE2 GLN 98 HE22 GLN 98 203.757 -5.068 -15.774 848 H GLU 99 HN GLU 99 205.606 -6.788 -8.599 849 HA GLU 99 HA GLU 99 205.574 -9.736 -8.602 850 1HB GLU 99 HB2 GLU 99 207.857 -7.799 -8.354 851 2HB GLU 99 HB1 GLU 99 208.009 -9.497 -7.917 852 1HG GLU 99 HG2 GLU 99 206.920 -9.665 -10.401 853 2HG GLU 99 HG1 GLU 99 207.924 -8.222 -10.546 854 H HIS 100 HN HIS 100 204.403 -7.446 -6.720 855 HA HIS 100 HA HIS 100 204.975 -8.970 -4.306 856 1HB HIS 100 HB2 HIS 100 205.509 -6.005 -4.494 857 2HB HIS 100 HB1 HIS 100 205.474 -6.921 -2.992 858 HD1 HIS 100 HD1 HIS 100 207.603 -8.020 -2.296 859 HD2 HIS 100 HD2 HIS 100 207.663 -6.843 -6.282 860 HE1 HIS 100 HE1 HIS 100 209.958 -8.423 -3.079 861 HE2 HIS 100 HE2 HIS 100 209.992 -7.624 -5.469 862 H HIS 101 HN HIS 101 202.678 -7.633 -6.207 863 HA HIS 101 HA HIS 101 200.987 -6.431 -4.246 864 1HB HIS 101 HB2 HIS 101 199.273 -6.432 -5.959 865 2HB HIS 101 HB1 HIS 101 200.799 -5.916 -6.661 866 HD1 HIS 101 HD1 HIS 101 198.040 -8.073 -7.318 867 HD2 HIS 101 HD2 HIS 101 202.135 -8.285 -7.996 868 HE1 HIS 101 HE1 HIS 101 198.337 -9.814 -9.109 869 HE2 HIS 101 HE2 HIS 101 200.814 -9.862 -9.563 870 H GLU 102 HN GLU 102 200.197 -7.565 -2.601 871 HA GLU 102 HA GLU 102 199.774 -10.392 -2.736 872 1HB GLU 102 HB2 GLU 102 198.985 -8.381 -0.622 873 2HB GLU 102 HB1 GLU 102 198.881 -10.127 -0.440 874 1HG GLU 102 HG2 GLU 102 201.516 -9.499 -1.264 875 2HG GLU 102 HG1 GLU 102 201.084 -8.411 0.053 876 H GLU 103 HN GLU 103 198.329 -9.836 -4.747 877 HA GLU 103 HA GLU 103 196.275 -9.914 -5.716 878 1HB GLU 103 HB2 GLU 103 196.217 -11.647 -3.560 879 2HB GLU 103 HB1 GLU 103 194.768 -10.677 -3.333 880 1HG GLU 103 HG2 GLU 103 193.829 -11.380 -5.333 881 2HG GLU 103 HG1 GLU 103 195.378 -11.905 -5.989 882 H ASP 104 HN ASP 104 193.724 -9.427 -4.781 883 HA ASP 104 HA ASP 104 192.252 -7.733 -4.467 884 1HB ASP 104 HB2 ASP 104 194.112 -6.378 -2.559 885 2HB ASP 104 HB1 ASP 104 192.368 -6.573 -2.478 886 H PHE 105 HN PHE 105 194.627 -7.383 -6.363 887 HA PHE 105 HA PHE 105 195.478 -5.787 -7.749 888 1HB PHE 105 HB2 PHE 105 192.838 -4.502 -7.046 889 2HB PHE 105 HB1 PHE 105 193.893 -3.944 -8.340 890 HD1 PHE 105 HD1 PHE 105 192.445 -7.193 -7.191 891 HD2 PHE 105 HD2 PHE 105 193.281 -4.581 -10.445 892 HE1 PHE 105 HE1 PHE 105 191.388 -8.788 -8.737 893 HE2 PHE 105 HE2 PHE 105 192.224 -6.171 -11.997 894 HZ PHE 105 HZ PHE 105 191.276 -8.277 -11.144 895 H PHE 106 HN PHE 106 195.960 -5.509 -4.767 896 HA PHE 106 HA PHE 106 196.678 -2.659 -4.762 897 1HB PHE 106 HB2 PHE 106 195.398 -4.351 -2.743 898 2HB PHE 106 HB1 PHE 106 196.756 -3.419 -2.119 899 HD1 PHE 106 HD1 PHE 106 194.597 -2.300 -4.869 900 HD2 PHE 106 HD2 PHE 106 195.490 -1.975 -0.720 901 HE1 PHE 106 HE1 PHE 106 193.155 -0.297 -4.711 902 HE2 PHE 106 HE2 PHE 106 194.053 0.017 -0.557 903 HZ PHE 106 HZ PHE 106 192.885 0.856 -2.554 904 H LEU 107 HN LEU 107 198.556 -2.082 -3.515 905 HA LEU 107 HA LEU 107 200.619 -4.176 -3.378 906 1HB LEU 107 HB2 LEU 107 201.041 -2.882 -5.372 907 2HB LEU 107 HB1 LEU 107 200.832 -1.377 -4.505 908 HG LEU 107 HG LEU 107 203.196 -1.809 -5.043 909 1HD1 LEU 107 HD11 LEU 107 203.124 -2.141 -2.120 910 2HD1 LEU 107 HD12 LEU 107 202.269 -0.769 -2.819 911 3HD1 LEU 107 HD13 LEU 107 203.985 -0.977 -3.125 912 1HD2 LEU 107 HD21 LEU 107 203.991 -3.750 -3.240 913 2HD2 LEU 107 HD22 LEU 107 203.886 -3.930 -4.990 914 3HD2 LEU 107 HD23 LEU 107 202.537 -4.430 -3.971 915 H TYR 108 HN TYR 108 200.787 -4.399 -1.158 916 HA TYR 108 HA TYR 108 200.821 -1.935 0.427 917 1HB TYR 108 HB2 TYR 108 199.919 -3.077 2.182 918 2HB TYR 108 HB1 TYR 108 199.347 -4.102 0.874 919 HD1 TYR 108 HD1 TYR 108 201.840 -5.644 0.275 920 HD2 TYR 108 HD2 TYR 108 200.059 -4.474 3.938 921 HE1 TYR 108 HE1 TYR 108 202.883 -7.582 1.380 922 HE2 TYR 108 HE2 TYR 108 201.098 -6.407 5.076 923 HH TYR 108 HH TYR 108 202.541 -8.973 3.367 924 H ILE 109 HN ILE 109 202.451 -1.291 1.677 925 HA ILE 109 HA ILE 109 204.946 -2.853 1.625 926 HB ILE 109 HB ILE 109 204.644 0.068 0.944 927 1HG1 ILE 109 HG12 ILE 109 204.936 -2.411 -0.683 928 2HG1 ILE 109 HG11 ILE 109 203.945 -0.989 -0.956 929 1HG2 ILE 109 HG21 ILE 109 207.096 -0.143 0.329 930 2HG2 ILE 109 HG22 ILE 109 207.091 -1.662 1.225 931 3HG2 ILE 109 HG23 ILE 109 206.718 -0.147 2.050 932 1HD1 ILE 109 HD11 ILE 109 206.929 -1.072 -1.315 933 2HD1 ILE 109 HD12 ILE 109 205.842 0.254 -1.732 934 3HD1 ILE 109 HD13 ILE 109 205.748 -1.274 -2.613 935 H ALA 110 HN ALA 110 206.608 -1.934 3.138 936 HA ALA 110 HA ALA 110 205.445 -0.516 5.442 937 1HB ALA 110 HB1 ALA 110 205.442 -2.727 6.222 938 2HB ALA 110 HB2 ALA 110 206.919 -2.020 6.879 939 3HB ALA 110 HB3 ALA 110 207.000 -3.082 5.475 940 H TYR 111 HN TYR 111 207.103 0.409 6.866 941 HA TYR 111 HA TYR 111 209.718 0.830 5.635 942 1HB TYR 111 HB2 TYR 111 209.565 3.223 5.604 943 2HB TYR 111 HB1 TYR 111 208.175 2.588 4.732 944 HD1 TYR 111 HD1 TYR 111 205.965 3.024 5.478 945 HD2 TYR 111 HD2 TYR 111 209.271 4.101 7.896 946 HE1 TYR 111 HE1 TYR 111 204.456 4.292 6.943 947 HE2 TYR 111 HE2 TYR 111 207.789 5.376 9.385 948 HH TYR 111 HH TYR 111 204.915 6.433 8.651 949 H SER 112 HN SER 112 211.304 0.943 7.103 950 HA SER 112 HA SER 112 210.648 1.611 9.905 951 1HB SER 112 HB2 SER 112 210.866 -0.691 10.114 952 2HB SER 112 HB1 SER 112 212.062 -0.806 8.830 953 HG SER 112 HG SER 112 212.412 0.107 11.482 954 H ASP 113 HN ASP 113 212.675 2.101 11.177 955 HA ASP 113 HA ASP 113 214.300 3.926 9.617 956 1HB ASP 113 HB2 ASP 113 215.071 4.791 11.728 957 2HB ASP 113 HB1 ASP 113 213.326 4.571 11.827 958 H GLU 114 HN GLU 114 214.504 0.736 10.074 959 HA GLU 114 HA GLU 114 217.449 0.760 10.030 960 1HB GLU 114 HB2 GLU 114 215.752 -1.385 11.313 961 2HB GLU 114 HB1 GLU 114 217.508 -1.306 11.288 962 1HG GLU 114 HG2 GLU 114 217.208 0.930 12.526 963 2HG GLU 114 HG1 GLU 114 215.571 0.357 12.844 964 H SER 115 HN SER 115 218.217 -1.506 9.217 965 HA SER 115 HA SER 115 217.058 -1.815 6.596 966 1HB SER 115 HB2 SER 115 218.917 -3.491 6.280 967 2HB SER 115 HB1 SER 115 219.449 -1.866 6.707 968 HG SER 115 HG SER 115 219.051 -3.892 8.641 969 H VAL 116 HN VAL 116 216.019 -2.982 9.411 970 HA VAL 116 HA VAL 116 215.252 -5.581 8.290 971 HB VAL 116 HB VAL 116 214.524 -5.464 11.030 972 1HG1 VAL 116 HG11 VAL 116 216.289 -7.290 11.183 973 2HG1 VAL 116 HG12 VAL 116 216.577 -7.003 9.468 974 3HG1 VAL 116 HG13 VAL 116 214.987 -7.530 10.019 975 1HG2 VAL 116 HG21 VAL 116 216.820 -5.255 12.049 976 2HG2 VAL 116 HG22 VAL 116 216.094 -3.744 11.499 977 3HG2 VAL 116 HG23 VAL 116 217.344 -4.526 10.530 978 H TYR 117 HN TYR 117 213.042 -6.188 8.585 979 HA TYR 117 HA TYR 117 211.210 -4.153 7.996 980 1HB TYR 117 HB2 TYR 117 210.626 -6.336 7.288 981 2HB TYR 117 HB1 TYR 117 210.835 -7.004 8.906 982 HD1 TYR 117 HD1 TYR 117 208.935 -4.093 7.566 983 HD2 TYR 117 HD2 TYR 117 208.806 -7.744 9.737 984 HE1 TYR 117 HE1 TYR 117 206.561 -3.717 8.039 985 HE2 TYR 117 HE2 TYR 117 206.430 -7.381 10.219 986 HH TYR 117 HH TYR 117 204.862 -4.391 9.604 987 H GLY 118 HN GLY 118 211.929 -2.704 9.816 988 1HA GLY 118 HA2 GLY 118 211.414 -1.602 11.760 989 2HA GLY 118 HA1 GLY 118 209.902 -2.502 11.748 990 H LEU 119 HN LEU 119 210.149 -4.839 12.411 991 HA LEU 119 HA LEU 119 210.319 -5.562 14.784 992 1HB LEU 119 HB2 LEU 119 211.687 -6.819 12.506 993 2HB LEU 119 HB1 LEU 119 212.201 -7.395 14.081 994 HG LEU 119 HG LEU 119 209.656 -7.676 14.548 995 1HD1 LEU 119 HD11 LEU 119 209.658 -7.797 11.535 996 2HD1 LEU 119 HD12 LEU 119 208.968 -6.484 12.488 997 3HD1 LEU 119 HD13 LEU 119 208.296 -8.110 12.612 998 1HD2 LEU 119 HD21 LEU 119 211.499 -9.398 12.977 999 2HD2 LEU 119 HD22 LEU 119 209.813 -9.895 13.118 1000 3HD2 LEU 119 HD23 LEU 119 210.786 -9.657 14.569 Start of MODEL 10 1 1H GLY 1 HT1 GLY 1 201.754 -17.563 9.193 2 2H GLY 1 HT2 GLY 1 200.995 -16.236 9.917 3 3H GLY 1 HT3 GLY 1 202.594 -16.615 10.315 4 1HA GLY 1 HA1 GLY 1 202.823 -16.333 7.674 5 2HA GLY 1 HA2 GLY 1 201.536 -15.188 8.021 6 H SER 2 HN SER 2 202.797 -13.394 7.533 7 HA SER 2 HA SER 2 204.559 -12.560 9.687 8 1HB SER 2 HB2 SER 2 206.240 -11.745 7.892 9 2HB SER 2 HB1 SER 2 206.265 -13.450 8.347 10 HG SER 2 HG SER 2 204.909 -12.368 6.098 11 H MET 3 HN MET 3 205.285 -10.241 9.308 12 HA MET 3 HA MET 3 204.753 -8.058 9.048 13 1HB MET 3 HB2 MET 3 203.620 -9.264 6.566 14 2HB MET 3 HB1 MET 3 203.210 -7.599 6.950 15 1HG MET 3 HG2 MET 3 205.861 -7.477 7.279 16 2HG MET 3 HG1 MET 3 205.773 -8.772 6.085 17 1HE MET 3 HE1 MET 3 204.756 -5.169 7.000 18 2HE MET 3 HE2 MET 3 205.010 -4.331 5.469 19 3HE MET 3 HE3 MET 3 206.378 -5.073 6.307 20 H LYS 4 HN LYS 4 203.369 -6.792 10.122 21 HA LYS 4 HA LYS 4 200.614 -7.771 10.491 22 1HB LYS 4 HB2 LYS 4 202.304 -6.194 12.440 23 2HB LYS 4 HB1 LYS 4 200.646 -6.717 12.710 24 1HG LYS 4 HG2 LYS 4 201.775 -8.349 13.829 25 2HG LYS 4 HG1 LYS 4 201.665 -9.093 12.231 26 1HD LYS 4 HD2 LYS 4 203.922 -8.112 11.732 27 2HD LYS 4 HD1 LYS 4 204.021 -7.647 13.430 28 1HE LYS 4 HE2 LYS 4 204.294 -9.793 14.145 29 2HE LYS 4 HE1 LYS 4 203.340 -10.468 12.824 30 1HZ LYS 4 HZ1 LYS 4 205.320 -9.705 11.384 31 2HZ LYS 4 HZ2 LYS 4 205.471 -11.120 12.299 32 3HZ LYS 4 HZ3 LYS 4 206.178 -9.684 12.844 33 H PHE 5 HN PHE 5 199.005 -6.437 9.911 34 HA PHE 5 HA PHE 5 199.612 -3.578 9.566 35 1HB PHE 5 HB2 PHE 5 198.316 -5.456 7.604 36 2HB PHE 5 HB1 PHE 5 198.016 -3.723 7.543 37 HD1 PHE 5 HD1 PHE 5 200.923 -6.049 7.806 38 HD2 PHE 5 HD2 PHE 5 199.301 -2.506 6.101 39 HE1 PHE 5 HE1 PHE 5 202.975 -5.741 6.495 40 HE2 PHE 5 HE2 PHE 5 201.354 -2.198 4.780 41 HZ PHE 5 HZ PHE 5 203.196 -3.816 4.978 42 H VAL 6 HN VAL 6 197.433 -2.404 9.021 43 HA VAL 6 HA VAL 6 195.247 -3.475 10.649 44 HB VAL 6 HB VAL 6 195.033 -0.803 11.205 45 1HG1 VAL 6 HG11 VAL 6 196.411 -2.915 12.855 46 2HG1 VAL 6 HG12 VAL 6 194.675 -2.607 12.778 47 3HG1 VAL 6 HG13 VAL 6 195.755 -1.399 13.474 48 1HG2 VAL 6 HG21 VAL 6 197.868 -1.243 11.920 49 2HG2 VAL 6 HG22 VAL 6 197.011 0.249 11.532 50 3HG2 VAL 6 HG23 VAL 6 197.526 -0.832 10.241 51 H TYR 7 HN TYR 7 195.850 -0.353 8.996 52 HA TYR 7 HA TYR 7 193.302 -0.111 7.928 53 1HB TYR 7 HB2 TYR 7 195.132 1.652 7.898 54 2HB TYR 7 HB1 TYR 7 195.791 0.824 6.490 55 HD1 TYR 7 HD1 TYR 7 195.151 1.585 4.396 56 HD2 TYR 7 HD2 TYR 7 192.535 2.193 7.701 57 HE1 TYR 7 HE1 TYR 7 193.610 2.834 2.944 58 HE2 TYR 7 HE2 TYR 7 190.988 3.439 6.256 59 HH TYR 7 HH TYR 7 191.807 4.648 3.295 60 H LYS 8 HN LYS 8 196.206 -1.505 6.440 61 HA LYS 8 HA LYS 8 194.903 -2.401 4.083 62 1HB LYS 8 HB2 LYS 8 197.341 -2.062 4.205 63 2HB LYS 8 HB1 LYS 8 197.464 -3.359 5.381 64 1HG LYS 8 HG2 LYS 8 198.130 -4.200 3.253 65 2HG LYS 8 HG1 LYS 8 196.584 -4.928 3.677 66 1HD LYS 8 HD2 LYS 8 195.623 -2.898 2.314 67 2HD LYS 8 HD1 LYS 8 197.231 -2.906 1.587 68 1HE LYS 8 HE2 LYS 8 195.603 -5.414 1.792 69 2HE LYS 8 HE1 LYS 8 195.367 -4.282 0.463 70 1HZ LYS 8 HZ1 LYS 8 198.002 -5.455 1.153 71 2HZ LYS 8 HZ2 LYS 8 197.594 -4.588 -0.241 72 3HZ LYS 8 HZ3 LYS 8 196.954 -6.133 0.010 73 H GLU 9 HN GLU 9 195.563 -3.804 7.233 74 HA GLU 9 HA GLU 9 194.802 -6.454 6.618 75 1HB GLU 9 HB2 GLU 9 195.476 -4.918 9.016 76 2HB GLU 9 HB1 GLU 9 194.299 -6.192 9.303 77 1HG GLU 9 HG2 GLU 9 196.793 -6.792 7.780 78 2HG GLU 9 HG1 GLU 9 196.836 -6.683 9.539 79 H GLU 10 HN GLU 10 193.085 -4.021 8.555 80 HA GLU 10 HA GLU 10 190.663 -5.268 8.830 81 1HB GLU 10 HB2 GLU 10 191.302 -2.334 8.513 82 2HB GLU 10 HB1 GLU 10 189.700 -2.923 8.937 83 1HG GLU 10 HG2 GLU 10 190.926 -4.150 10.857 84 2HG GLU 10 HG1 GLU 10 192.223 -3.000 10.532 85 H HIS 11 HN HIS 11 191.390 -2.827 6.318 86 HA HIS 11 HA HIS 11 189.082 -2.972 4.846 87 1HB HIS 11 HB2 HIS 11 191.913 -2.361 4.184 88 2HB HIS 11 HB1 HIS 11 190.818 -2.641 2.834 89 HD1 HIS 11 HD1 HIS 11 189.290 -0.757 2.192 90 HD2 HIS 11 HD2 HIS 11 191.127 -0.139 5.867 91 HE1 HIS 11 HE1 HIS 11 188.713 1.601 2.845 92 HE2 HIS 11 HE2 HIS 11 189.744 1.914 5.121 93 HA PRO 12 HA PRO 12 189.035 -7.464 3.994 94 1HB PRO 12 HB2 PRO 12 186.917 -6.699 2.141 95 2HB PRO 12 HB1 PRO 12 186.847 -7.771 3.536 96 1HG PRO 12 HG2 PRO 12 185.935 -5.074 3.344 97 2HG PRO 12 HG1 PRO 12 185.884 -6.143 4.748 98 1HD PRO 12 HD2 PRO 12 187.461 -3.841 4.463 99 2HD PRO 12 HD1 PRO 12 187.631 -5.089 5.708 100 H PHE 13 HN PHE 13 188.884 -8.690 1.860 101 HA PHE 13 HA PHE 13 190.917 -7.723 0.130 102 1HB PHE 13 HB2 PHE 13 190.285 -10.176 0.704 103 2HB PHE 13 HB1 PHE 13 189.097 -10.000 -0.583 104 HD1 PHE 13 HD1 PHE 13 192.185 -11.270 0.074 105 HD2 PHE 13 HD2 PHE 13 190.250 -8.740 -2.750 106 HE1 PHE 13 HE1 PHE 13 193.922 -11.801 -1.585 107 HE2 PHE 13 HE2 PHE 13 191.982 -9.267 -4.412 108 HZ PHE 13 HZ PHE 13 193.824 -10.800 -3.834 109 H GLU 14 HN GLU 14 187.422 -8.192 -0.252 110 HA GLU 14 HA GLU 14 187.204 -7.417 -2.913 111 1HB GLU 14 HB2 GLU 14 185.438 -8.003 -0.780 112 2HB GLU 14 HB1 GLU 14 184.931 -6.457 -1.448 113 1HG GLU 14 HG2 GLU 14 184.168 -7.381 -3.335 114 2HG GLU 14 HG1 GLU 14 185.528 -8.496 -3.458 115 H LYS 15 HN LYS 15 187.927 -5.533 -0.151 116 HA LYS 15 HA LYS 15 187.090 -3.026 -1.314 117 1HB LYS 15 HB2 LYS 15 188.845 -3.383 1.110 118 2HB LYS 15 HB1 LYS 15 187.803 -2.025 0.711 119 1HG LYS 15 HG2 LYS 15 186.590 -4.709 1.094 120 2HG LYS 15 HG1 LYS 15 187.093 -3.770 2.496 121 1HD LYS 15 HD2 LYS 15 185.426 -2.293 2.264 122 2HD LYS 15 HD1 LYS 15 185.589 -2.251 0.505 123 1HE LYS 15 HE2 LYS 15 184.341 -4.271 0.275 124 2HE LYS 15 HE1 LYS 15 184.324 -4.520 2.019 125 1HZ LYS 15 HZ1 LYS 15 183.202 -2.011 1.072 126 2HZ LYS 15 HZ2 LYS 15 182.665 -3.040 2.302 127 3HZ LYS 15 HZ3 LYS 15 182.321 -3.402 0.686 128 H ARG 16 HN ARG 16 190.225 -4.420 -0.315 129 HA ARG 16 HA ARG 16 191.798 -2.426 -1.515 130 1HB ARG 16 HB2 ARG 16 193.625 -4.187 -1.446 131 2HB ARG 16 HB1 ARG 16 192.864 -3.800 0.090 132 1HG ARG 16 HG2 ARG 16 191.538 -5.818 -0.017 133 2HG ARG 16 HG1 ARG 16 192.188 -6.189 -1.615 134 1HD ARG 16 HD2 ARG 16 194.349 -6.581 -0.751 135 2HD ARG 16 HD1 ARG 16 193.947 -5.845 0.796 136 HE ARG 16 HE ARG 16 193.262 -8.528 -0.100 137 1HH1 ARG 16 HH11 ARG 16 192.887 -6.036 2.324 138 2HH1 ARG 16 HH12 ARG 16 192.355 -7.138 3.547 139 1HH2 ARG 16 HH21 ARG 16 192.559 -9.969 1.514 140 2HH2 ARG 16 HH22 ARG 16 192.168 -9.366 3.089 141 H ARG 17 HN ARG 17 190.273 -5.287 -2.781 142 HA ARG 17 HA ARG 17 191.701 -5.291 -5.273 143 1HB ARG 17 HB2 ARG 17 190.436 -7.238 -4.061 144 2HB ARG 17 HB1 ARG 17 189.034 -6.599 -4.907 145 1HG ARG 17 HG2 ARG 17 190.497 -6.774 -7.016 146 2HG ARG 17 HG1 ARG 17 191.513 -7.832 -6.037 147 1HD ARG 17 HD2 ARG 17 189.299 -9.058 -5.502 148 2HD ARG 17 HD1 ARG 17 188.680 -8.218 -6.922 149 HE ARG 17 HE ARG 17 191.064 -9.429 -7.665 150 1HH1 ARG 17 HH11 ARG 17 187.904 -10.404 -6.553 151 2HH1 ARG 17 HH12 ARG 17 187.938 -11.920 -7.390 152 1HH2 ARG 17 HH21 ARG 17 191.113 -11.422 -8.769 153 2HH2 ARG 17 HH22 ARG 17 189.761 -12.498 -8.648 154 H SER 18 HN SER 18 188.381 -4.454 -4.299 155 HA SER 18 HA SER 18 187.374 -3.589 -6.687 156 1HB SER 18 HB2 SER 18 185.850 -3.684 -4.906 157 2HB SER 18 HB1 SER 18 186.870 -2.696 -3.860 158 HG SER 18 HG SER 18 184.975 -1.641 -4.832 159 H GLU 19 HN GLU 19 188.799 -1.443 -4.221 160 HA GLU 19 HA GLU 19 188.870 0.884 -5.702 161 1HB GLU 19 HB2 GLU 19 189.902 -0.031 -3.233 162 2HB GLU 19 HB1 GLU 19 191.224 0.749 -4.087 163 1HG GLU 19 HG2 GLU 19 190.190 2.800 -4.098 164 2HG GLU 19 HG1 GLU 19 188.580 2.103 -3.913 165 H GLY 20 HN GLY 20 191.343 -1.650 -5.470 166 1HA GLY 20 HA2 GLY 20 193.284 -0.412 -7.069 167 2HA GLY 20 HA1 GLY 20 193.137 -2.144 -6.811 168 H GLU 21 HN GLU 21 190.634 -2.594 -7.964 169 HA GLU 21 HA GLU 21 191.324 -2.879 -10.656 170 1HB GLU 21 HB2 GLU 21 189.769 -4.410 -9.863 171 2HB GLU 21 HB1 GLU 21 188.771 -3.169 -9.118 172 1HG GLU 21 HG2 GLU 21 187.684 -2.687 -11.046 173 2HG GLU 21 HG1 GLU 21 189.061 -3.110 -12.061 174 H LYS 22 HN LYS 22 190.086 -0.154 -8.992 175 HA LYS 22 HA LYS 22 189.053 1.024 -11.459 176 1HB LYS 22 HB2 LYS 22 187.518 1.526 -9.826 177 2HB LYS 22 HB1 LYS 22 188.729 1.601 -8.556 178 1HG LYS 22 HG2 LYS 22 188.821 3.711 -10.631 179 2HG LYS 22 HG1 LYS 22 187.477 3.752 -9.487 180 1HD LYS 22 HD2 LYS 22 189.716 3.253 -7.914 181 2HD LYS 22 HD1 LYS 22 190.265 4.442 -9.098 182 1HE LYS 22 HE2 LYS 22 188.138 5.735 -8.517 183 2HE LYS 22 HE1 LYS 22 188.015 4.665 -7.121 184 1HZ LYS 22 HZ1 LYS 22 190.465 5.415 -6.755 185 2HZ LYS 22 HZ2 LYS 22 189.191 6.409 -6.257 186 3HZ LYS 22 HZ3 LYS 22 190.008 6.743 -7.700 187 H ILE 23 HN ILE 23 191.366 1.764 -8.871 188 HA ILE 23 HA ILE 23 192.481 4.071 -9.983 189 HB ILE 23 HB ILE 23 193.579 1.971 -8.135 190 1HG1 ILE 23 HG12 ILE 23 192.977 4.830 -7.472 191 2HG1 ILE 23 HG11 ILE 23 191.680 3.642 -7.556 192 1HG2 ILE 23 HG21 ILE 23 195.528 3.174 -7.732 193 2HG2 ILE 23 HG22 ILE 23 194.916 4.618 -8.530 194 3HG2 ILE 23 HG23 ILE 23 195.376 3.211 -9.487 195 1HD1 ILE 23 HD11 ILE 23 192.116 3.205 -5.432 196 2HD1 ILE 23 HD12 ILE 23 193.623 4.119 -5.479 197 3HD1 ILE 23 HD13 ILE 23 193.600 2.430 -5.985 198 H ARG 24 HN ARG 24 192.861 0.729 -10.787 199 HA ARG 24 HA ARG 24 195.312 1.081 -12.270 200 1HB ARG 24 HB2 ARG 24 193.384 -1.234 -12.008 201 2HB ARG 24 HB1 ARG 24 194.865 -1.297 -12.960 202 1HG ARG 24 HG2 ARG 24 194.765 -0.720 -10.007 203 2HG ARG 24 HG1 ARG 24 195.070 -2.309 -10.708 204 1HD ARG 24 HD2 ARG 24 196.735 0.130 -11.296 205 2HD ARG 24 HD1 ARG 24 197.110 -1.020 -10.014 206 HE ARG 24 HE ARG 24 196.902 -2.602 -12.185 207 1HH1 ARG 24 HH11 ARG 24 198.691 0.332 -11.570 208 2HH1 ARG 24 HH12 ARG 24 199.973 -0.073 -12.662 209 1HH2 ARG 24 HH21 ARG 24 198.588 -3.135 -13.620 210 2HH2 ARG 24 HH22 ARG 24 199.914 -2.042 -13.825 211 H LYS 25 HN LYS 25 191.880 0.618 -12.969 212 HA LYS 25 HA LYS 25 192.140 0.563 -15.794 213 1HB LYS 25 HB2 LYS 25 189.810 1.207 -13.990 214 2HB LYS 25 HB1 LYS 25 189.680 0.982 -15.733 215 1HG LYS 25 HG2 LYS 25 190.390 -1.307 -15.544 216 2HG LYS 25 HG1 LYS 25 190.723 -1.097 -13.822 217 1HD LYS 25 HD2 LYS 25 188.617 -2.221 -14.041 218 2HD LYS 25 HD1 LYS 25 188.299 -0.572 -13.501 219 1HE LYS 25 HE2 LYS 25 186.896 -0.359 -15.211 220 2HE LYS 25 HE1 LYS 25 188.287 -0.450 -16.291 221 1HZ LYS 25 HZ1 LYS 25 187.817 -2.563 -16.862 222 2HZ LYS 25 HZ2 LYS 25 186.246 -2.137 -16.402 223 3HZ LYS 25 HZ3 LYS 25 187.241 -2.987 -15.329 224 H LYS 26 HN LYS 26 191.401 3.086 -13.452 225 HA LYS 26 HA LYS 26 191.013 5.079 -15.458 226 1HB LYS 26 HB2 LYS 26 190.005 4.890 -13.060 227 2HB LYS 26 HB1 LYS 26 191.482 5.723 -12.590 228 1HG LYS 26 HG2 LYS 26 190.928 7.634 -13.762 229 2HG LYS 26 HG1 LYS 26 189.811 6.768 -14.818 230 1HD LYS 26 HD2 LYS 26 188.682 8.250 -13.193 231 2HD LYS 26 HD1 LYS 26 188.207 6.562 -13.047 232 1HE LYS 26 HE2 LYS 26 190.146 6.549 -11.246 233 2HE LYS 26 HE1 LYS 26 189.781 8.272 -11.193 234 1HZ LYS 26 HZ1 LYS 26 187.366 7.475 -10.943 235 2HZ LYS 26 HZ2 LYS 26 188.391 7.391 -9.599 236 3HZ LYS 26 HZ3 LYS 26 188.051 5.994 -10.490 237 H TYR 27 HN TYR 27 193.536 4.201 -13.173 238 HA TYR 27 HA TYR 27 195.352 6.014 -14.621 239 1HB TYR 27 HB2 TYR 27 196.121 5.357 -11.857 240 2HB TYR 27 HB1 TYR 27 196.208 6.887 -12.716 241 HD1 TYR 27 HD1 TYR 27 193.428 7.515 -13.348 242 HD2 TYR 27 HD2 TYR 27 195.061 5.702 -9.858 243 HE1 TYR 27 HE1 TYR 27 191.541 8.356 -12.030 244 HE2 TYR 27 HE2 TYR 27 193.164 6.532 -8.534 245 HH TYR 27 HH TYR 27 191.489 8.269 -8.609 246 HA PRO 28 HA PRO 28 197.070 1.819 -15.134 247 1HB PRO 28 HB2 PRO 28 198.071 2.828 -17.672 248 2HB PRO 28 HB1 PRO 28 196.898 1.545 -17.373 249 1HG PRO 28 HG2 PRO 28 196.223 3.930 -18.487 250 2HG PRO 28 HG1 PRO 28 195.105 2.975 -17.498 251 1HD PRO 28 HD2 PRO 28 196.750 5.358 -16.729 252 2HD PRO 28 HD1 PRO 28 195.059 4.978 -16.328 253 H ASP 29 HN ASP 29 198.468 4.965 -15.126 254 HA ASP 29 HA ASP 29 201.192 3.908 -15.193 255 1HB ASP 29 HB2 ASP 29 200.402 6.032 -16.446 256 2HB ASP 29 HB1 ASP 29 200.479 6.811 -14.868 257 H ARG 30 HN ARG 30 198.837 4.412 -12.918 258 HA ARG 30 HA ARG 30 200.792 5.049 -10.809 259 1HB ARG 30 HB2 ARG 30 197.782 5.322 -10.829 260 2HB ARG 30 HB1 ARG 30 198.794 5.613 -9.423 261 1HG ARG 30 HG2 ARG 30 199.828 7.148 -11.567 262 2HG ARG 30 HG1 ARG 30 198.083 7.398 -11.503 263 1HD ARG 30 HD2 ARG 30 198.220 7.991 -9.162 264 2HD ARG 30 HD1 ARG 30 199.952 7.651 -9.155 265 HE ARG 30 HE ARG 30 199.038 9.679 -11.025 266 1HH1 ARG 30 HH11 ARG 30 200.457 8.982 -7.909 267 2HH1 ARG 30 HH12 ARG 30 201.136 10.563 -7.729 268 1HH2 ARG 30 HH21 ARG 30 199.929 11.755 -10.784 269 2HH2 ARG 30 HH22 ARG 30 200.835 12.138 -9.358 270 H VAL 31 HN VAL 31 200.610 3.893 -8.790 271 HA VAL 31 HA VAL 31 199.276 1.286 -9.017 272 HB VAL 31 HB VAL 31 201.135 0.160 -7.942 273 1HG1 VAL 31 HG11 VAL 31 201.009 0.654 -10.489 274 2HG1 VAL 31 HG12 VAL 31 202.468 -0.062 -9.803 275 3HG1 VAL 31 HG13 VAL 31 202.422 1.661 -10.176 276 1HG2 VAL 31 HG21 VAL 31 203.310 1.872 -8.142 277 2HG2 VAL 31 HG22 VAL 31 202.516 1.344 -6.657 278 3HG2 VAL 31 HG23 VAL 31 202.041 2.864 -7.422 279 HA PRO 32 HA PRO 32 197.624 2.915 -5.147 280 1HB PRO 32 HB2 PRO 32 196.074 0.702 -4.613 281 2HB PRO 32 HB1 PRO 32 195.567 2.050 -5.635 282 1HG PRO 32 HG2 PRO 32 196.638 -0.621 -6.414 283 2HG PRO 32 HG1 PRO 32 195.366 0.344 -7.179 284 1HD PRO 32 HD2 PRO 32 197.875 0.181 -8.176 285 2HD PRO 32 HD1 PRO 32 196.879 1.640 -8.337 286 H VAL 33 HN VAL 33 199.168 2.887 -3.615 287 HA VAL 33 HA VAL 33 200.146 0.280 -2.682 288 HB VAL 33 HB VAL 33 201.426 3.006 -2.469 289 1HG1 VAL 33 HG11 VAL 33 201.903 1.603 -0.498 290 2HG1 VAL 33 HG12 VAL 33 203.335 1.928 -1.473 291 3HG1 VAL 33 HG13 VAL 33 202.543 0.359 -1.569 292 1HG2 VAL 33 HG21 VAL 33 202.248 0.558 -4.046 293 2HG2 VAL 33 HG22 VAL 33 203.088 2.114 -3.999 294 3HG2 VAL 33 HG23 VAL 33 201.479 2.006 -4.710 295 H ILE 34 HN ILE 34 200.267 -0.208 -0.522 296 HA ILE 34 HA ILE 34 198.826 1.589 1.312 297 HB ILE 34 HB ILE 34 198.879 -1.417 1.627 298 1HG1 ILE 34 HG12 ILE 34 197.755 -0.900 -0.486 299 2HG1 ILE 34 HG11 ILE 34 196.558 -1.359 0.722 300 1HG2 ILE 34 HG21 ILE 34 197.397 0.865 2.894 301 2HG2 ILE 34 HG22 ILE 34 198.354 -0.397 3.670 302 3HG2 ILE 34 HG23 ILE 34 196.782 -0.784 2.970 303 1HD1 ILE 34 HD11 ILE 34 196.128 0.683 -0.807 304 2HD1 ILE 34 HD12 ILE 34 197.214 1.519 0.303 305 3HD1 ILE 34 HD13 ILE 34 195.730 0.779 0.910 306 H VAL 35 HN VAL 35 200.988 2.461 1.640 307 HA VAL 35 HA VAL 35 203.112 0.997 2.743 308 HB VAL 35 HB VAL 35 202.499 3.914 3.214 309 1HG1 VAL 35 HG11 VAL 35 204.884 2.192 3.676 310 2HG1 VAL 35 HG12 VAL 35 204.211 3.483 4.676 311 3HG1 VAL 35 HG13 VAL 35 205.120 3.880 3.216 312 1HG2 VAL 35 HG21 VAL 35 203.545 4.454 1.219 313 2HG2 VAL 35 HG22 VAL 35 202.623 3.015 0.784 314 3HG2 VAL 35 HG23 VAL 35 204.353 2.890 1.103 315 H GLU 36 HN GLU 36 203.928 0.984 4.917 316 HA GLU 36 HA GLU 36 202.037 1.580 7.059 317 1HB GLU 36 HB2 GLU 36 202.385 -1.029 6.004 318 2HB GLU 36 HB1 GLU 36 203.155 -1.008 7.580 319 1HG GLU 36 HG2 GLU 36 200.791 0.281 8.065 320 2HG GLU 36 HG1 GLU 36 200.331 -0.929 6.872 321 H LYS 37 HN LYS 37 203.017 1.486 9.190 322 HA LYS 37 HA LYS 37 205.903 1.981 9.053 323 1HB LYS 37 HB2 LYS 37 204.204 3.670 10.065 324 2HB LYS 37 HB1 LYS 37 204.166 2.575 11.440 325 1HG LYS 37 HG2 LYS 37 206.885 3.059 10.807 326 2HG LYS 37 HG1 LYS 37 206.051 4.612 10.835 327 1HD LYS 37 HD2 LYS 37 206.847 4.165 13.046 328 2HD LYS 37 HD1 LYS 37 205.093 3.972 13.052 329 1HE LYS 37 HE2 LYS 37 205.209 1.691 13.276 330 2HE LYS 37 HE1 LYS 37 206.800 1.597 12.520 331 1HZ LYS 37 HZ1 LYS 37 207.269 1.199 14.723 332 2HZ LYS 37 HZ2 LYS 37 206.103 2.281 15.297 333 3HZ LYS 37 HZ3 LYS 37 207.542 2.866 14.629 334 H ALA 38 HN ALA 38 206.587 -0.122 9.027 335 HA ALA 38 HA ALA 38 205.955 -2.389 10.200 336 1HB ALA 38 HB1 ALA 38 208.757 -1.351 10.489 337 2HB ALA 38 HB2 ALA 38 208.065 -1.883 8.950 338 3HB ALA 38 HB3 ALA 38 208.230 -3.022 10.286 339 HA PRO 39 HA PRO 39 205.562 -2.231 14.573 340 1HB PRO 39 HB2 PRO 39 206.569 -4.708 15.197 341 2HB PRO 39 HB1 PRO 39 204.931 -4.427 14.584 342 1HG PRO 39 HG2 PRO 39 207.393 -5.251 13.110 343 2HG PRO 39 HG1 PRO 39 205.743 -5.872 12.955 344 1HD PRO 39 HD2 PRO 39 206.751 -4.156 11.187 345 2HD PRO 39 HD1 PRO 39 205.051 -4.050 11.699 346 H LYS 40 HN LYS 40 206.749 -1.696 16.328 347 HA LYS 40 HA LYS 40 208.517 -1.161 17.633 348 1HB LYS 40 HB2 LYS 40 209.940 -3.272 16.009 349 2HB LYS 40 HB1 LYS 40 210.549 -2.554 17.494 350 1HG LYS 40 HG2 LYS 40 209.040 -3.661 18.815 351 2HG LYS 40 HG1 LYS 40 207.857 -3.819 17.517 352 1HD LYS 40 HD2 LYS 40 208.801 -5.718 16.699 353 2HD LYS 40 HD1 LYS 40 210.435 -5.231 17.162 354 1HE LYS 40 HE2 LYS 40 209.334 -5.534 19.597 355 2HE LYS 40 HE1 LYS 40 208.383 -6.709 18.688 356 1HZ LYS 40 HZ1 LYS 40 211.335 -6.629 18.972 357 2HZ LYS 40 HZ2 LYS 40 210.525 -7.656 17.900 358 3HZ LYS 40 HZ3 LYS 40 210.280 -7.811 19.566 359 H ALA 41 HN ALA 41 208.476 -0.459 14.368 360 HA ALA 41 HA ALA 41 210.982 0.512 13.766 361 1HB ALA 41 HB1 ALA 41 208.572 2.076 12.960 362 2HB ALA 41 HB2 ALA 41 208.808 0.442 12.329 363 3HB ALA 41 HB3 ALA 41 210.021 1.690 12.037 364 H ARG 42 HN ARG 42 212.107 2.289 14.338 365 HA ARG 42 HA ARG 42 211.142 3.800 16.617 366 1HB ARG 42 HB2 ARG 42 213.838 4.189 15.353 367 2HB ARG 42 HB1 ARG 42 213.366 4.416 17.031 368 1HG ARG 42 HG2 ARG 42 213.196 2.029 17.350 369 2HG ARG 42 HG1 ARG 42 213.544 1.749 15.642 370 1HD ARG 42 HD2 ARG 42 215.676 1.550 16.290 371 2HD ARG 42 HD1 ARG 42 215.657 3.307 16.429 372 HE ARG 42 HE ARG 42 214.751 2.501 18.840 373 1HH1 ARG 42 HH11 ARG 42 217.555 1.635 16.951 374 2HH1 ARG 42 HH12 ARG 42 218.536 1.291 18.336 375 1HH2 ARG 42 HH21 ARG 42 216.041 2.049 20.662 376 2HH2 ARG 42 HH22 ARG 42 217.676 1.525 20.442 377 H ILE 43 HN ILE 43 209.888 4.239 14.180 378 HA ILE 43 HA ILE 43 210.565 7.055 13.650 379 HB ILE 43 HB ILE 43 209.392 6.498 11.389 380 1HG1 ILE 43 HG12 ILE 43 210.460 3.796 12.211 381 2HG1 ILE 43 HG11 ILE 43 208.760 4.211 12.025 382 1HG2 ILE 43 HG21 ILE 43 212.206 5.987 12.214 383 2HG2 ILE 43 HG22 ILE 43 211.548 7.268 11.196 384 3HG2 ILE 43 HG23 ILE 43 211.713 5.631 10.560 385 1HD1 ILE 43 HD11 ILE 43 209.727 4.917 9.610 386 2HD1 ILE 43 HD12 ILE 43 209.017 3.346 9.996 387 3HD1 ILE 43 HD13 ILE 43 210.772 3.554 10.013 388 H GLY 44 HN GLY 44 208.666 8.230 12.674 389 1HA GLY 44 HA2 GLY 44 206.475 8.092 14.478 390 2HA GLY 44 HA1 GLY 44 206.583 9.125 13.060 391 H ASP 45 HN ASP 45 204.384 7.404 14.218 392 HA ASP 45 HA ASP 45 203.957 5.341 12.256 393 1HB ASP 45 HB2 ASP 45 201.892 4.912 13.412 394 2HB ASP 45 HB1 ASP 45 203.148 5.194 14.615 395 H LEU 46 HN LEU 46 202.871 5.471 10.402 396 HA LEU 46 HA LEU 46 201.901 8.067 9.550 397 1HB LEU 46 HB2 LEU 46 203.042 5.766 8.290 398 2HB LEU 46 HB1 LEU 46 201.495 6.118 7.538 399 HG LEU 46 HG LEU 46 203.307 8.415 7.946 400 1HD1 LEU 46 HD11 LEU 46 204.409 7.784 5.719 401 2HD1 LEU 46 HD12 LEU 46 203.909 6.136 6.096 402 3HD1 LEU 46 HD13 LEU 46 204.996 7.000 7.185 403 1HD2 LEU 46 HD21 LEU 46 201.400 7.461 5.825 404 2HD2 LEU 46 HD22 LEU 46 202.452 8.860 5.600 405 3HD2 LEU 46 HD23 LEU 46 201.247 8.862 6.887 406 H ASP 47 HN ASP 47 199.841 8.547 8.937 407 HA ASP 47 HA ASP 47 197.770 6.656 9.804 408 1HB ASP 47 HB2 ASP 47 196.281 8.717 9.685 409 2HB ASP 47 HB1 ASP 47 197.525 8.736 10.931 410 H LYS 48 HN LYS 48 199.149 8.174 7.058 411 HA LYS 48 HA LYS 48 196.851 7.576 5.353 412 1HB LYS 48 HB2 LYS 48 197.838 9.738 4.984 413 2HB LYS 48 HB1 LYS 48 199.447 9.043 4.861 414 1HG LYS 48 HG2 LYS 48 198.165 7.734 2.859 415 2HG LYS 48 HG1 LYS 48 197.331 9.288 2.844 416 1HD LYS 48 HD2 LYS 48 199.709 10.302 2.916 417 2HD LYS 48 HD1 LYS 48 200.238 8.700 2.403 418 1HE LYS 48 HE2 LYS 48 199.403 8.947 0.323 419 2HE LYS 48 HE1 LYS 48 197.984 9.829 0.887 420 1HZ LYS 48 HZ1 LYS 48 199.461 11.778 1.208 421 2HZ LYS 48 HZ2 LYS 48 199.320 11.294 -0.407 422 3HZ LYS 48 HZ3 LYS 48 200.715 10.914 0.470 423 H LYS 49 HN LYS 49 197.107 5.261 5.649 424 HA LYS 49 HA LYS 49 199.431 3.854 4.935 425 1HB LYS 49 HB2 LYS 49 196.557 3.156 5.309 426 2HB LYS 49 HB1 LYS 49 197.578 1.994 4.475 427 1HG LYS 49 HG2 LYS 49 198.928 2.895 6.817 428 2HG LYS 49 HG1 LYS 49 197.291 2.389 7.242 429 1HD LYS 49 HD2 LYS 49 198.050 0.399 5.548 430 2HD LYS 49 HD1 LYS 49 199.582 0.802 6.323 431 1HE LYS 49 HE2 LYS 49 197.022 -0.105 7.608 432 2HE LYS 49 HE1 LYS 49 198.595 -0.893 7.644 433 1HZ LYS 49 HZ1 LYS 49 198.938 1.659 8.700 434 2HZ LYS 49 HZ2 LYS 49 199.021 0.181 9.516 435 3HZ LYS 49 HZ3 LYS 49 197.553 1.016 9.430 436 H LYS 50 HN LYS 50 196.644 4.897 3.035 437 HA LYS 50 HA LYS 50 197.357 3.473 0.682 438 1HB LYS 50 HB2 LYS 50 195.078 4.518 1.382 439 2HB LYS 50 HB1 LYS 50 195.715 5.982 0.645 440 1HG LYS 50 HG2 LYS 50 194.742 5.168 -1.204 441 2HG LYS 50 HG1 LYS 50 196.213 4.198 -1.316 442 1HD LYS 50 HD2 LYS 50 194.844 2.431 -1.360 443 2HD LYS 50 HD1 LYS 50 194.636 2.711 0.370 444 1HE LYS 50 HE2 LYS 50 192.472 2.506 -0.634 445 2HE LYS 50 HE1 LYS 50 192.712 4.187 -0.160 446 1HZ LYS 50 HZ1 LYS 50 191.814 3.498 -2.537 447 2HZ LYS 50 HZ2 LYS 50 193.469 3.459 -2.880 448 3HZ LYS 50 HZ3 LYS 50 192.760 4.880 -2.298 449 H TYR 51 HN TYR 51 198.268 4.195 -1.234 450 HA TYR 51 HA TYR 51 199.413 6.848 -1.398 451 1HB TYR 51 HB2 TYR 51 201.075 4.371 -1.063 452 2HB TYR 51 HB1 TYR 51 201.690 5.738 -1.986 453 HD1 TYR 51 HD1 TYR 51 200.788 4.503 1.317 454 HD2 TYR 51 HD2 TYR 51 202.224 7.841 -0.886 455 HE1 TYR 51 HE1 TYR 51 201.506 5.574 3.417 456 HE2 TYR 51 HE2 TYR 51 202.949 8.920 1.201 457 HH TYR 51 HH TYR 51 203.562 7.611 3.832 458 H LEU 52 HN LEU 52 198.824 7.459 -3.371 459 HA LEU 52 HA LEU 52 198.715 5.456 -5.507 460 1HB LEU 52 HB2 LEU 52 196.877 7.290 -4.876 461 2HB LEU 52 HB1 LEU 52 197.853 8.272 -5.953 462 HG LEU 52 HG LEU 52 197.506 6.673 -7.769 463 1HD1 LEU 52 HD11 LEU 52 196.830 4.920 -5.666 464 2HD1 LEU 52 HD12 LEU 52 196.899 4.576 -7.393 465 3HD1 LEU 52 HD13 LEU 52 195.387 5.112 -6.661 466 1HD2 LEU 52 HD21 LEU 52 195.753 8.500 -6.916 467 2HD2 LEU 52 HD22 LEU 52 194.746 7.058 -6.770 468 3HD2 LEU 52 HD23 LEU 52 195.462 7.480 -8.326 469 H VAL 53 HN VAL 53 200.975 5.302 -5.747 470 HA VAL 53 HA VAL 53 202.307 7.680 -6.837 471 HB VAL 53 HB VAL 53 204.300 5.831 -6.655 472 1HG1 VAL 53 HG11 VAL 53 203.440 7.616 -4.385 473 2HG1 VAL 53 HG12 VAL 53 204.246 8.187 -5.846 474 3HG1 VAL 53 HG13 VAL 53 205.074 7.070 -4.760 475 1HG2 VAL 53 HG21 VAL 53 202.376 5.274 -4.404 476 2HG2 VAL 53 HG22 VAL 53 204.078 4.826 -4.379 477 3HG2 VAL 53 HG23 VAL 53 203.006 4.131 -5.592 478 HA PRO 54 HA PRO 54 202.359 6.301 -11.004 479 1HB PRO 54 HB2 PRO 54 205.306 6.737 -10.938 480 2HB PRO 54 HB1 PRO 54 204.100 7.374 -12.061 481 1HG PRO 54 HG2 PRO 54 205.154 8.931 -10.176 482 2HG PRO 54 HG1 PRO 54 203.437 9.055 -10.606 483 1HD PRO 54 HD2 PRO 54 204.711 7.789 -8.221 484 2HD PRO 54 HD1 PRO 54 203.178 8.677 -8.346 485 H SER 55 HN SER 55 203.993 4.908 -12.476 486 HA SER 55 HA SER 55 204.484 2.444 -10.948 487 1HB SER 55 HB2 SER 55 202.997 2.887 -13.314 488 2HB SER 55 HB1 SER 55 204.430 1.972 -13.780 489 HG SER 55 HG SER 55 202.242 1.115 -12.513 490 H ASP 56 HN ASP 56 206.006 4.948 -12.639 491 HA ASP 56 HA ASP 56 208.380 3.317 -13.185 492 1HB ASP 56 HB2 ASP 56 207.250 5.099 -14.827 493 2HB ASP 56 HB1 ASP 56 208.267 6.208 -13.911 494 H LEU 57 HN LEU 57 207.027 5.182 -10.805 495 HA LEU 57 HA LEU 57 209.150 6.751 -9.909 496 1HB LEU 57 HB2 LEU 57 206.754 6.870 -9.149 497 2HB LEU 57 HB1 LEU 57 207.074 5.455 -8.161 498 HG LEU 57 HG LEU 57 209.015 6.896 -7.193 499 1HD1 LEU 57 HD11 LEU 57 208.412 8.672 -9.005 500 2HD1 LEU 57 HD12 LEU 57 208.910 9.174 -7.390 501 3HD1 LEU 57 HD13 LEU 57 207.201 9.168 -7.823 502 1HD2 LEU 57 HD21 LEU 57 206.611 6.194 -6.260 503 2HD2 LEU 57 HD22 LEU 57 206.409 7.946 -6.286 504 3HD2 LEU 57 HD23 LEU 57 207.728 7.224 -5.364 505 H THR 58 HN THR 58 211.108 6.011 -9.474 506 HA THR 58 HA THR 58 211.705 3.344 -8.772 507 HB THR 58 HB THR 58 213.919 4.647 -7.957 508 HG1 THR 58 HG1 THR 58 212.927 6.347 -9.975 509 1HG2 THR 58 HG21 THR 58 214.043 4.800 -10.765 510 2HG2 THR 58 HG22 THR 58 213.060 3.392 -10.359 511 3HG2 THR 58 HG23 THR 58 214.692 3.548 -9.705 512 H VAL 59 HN VAL 59 212.235 2.384 -6.869 513 HA VAL 59 HA VAL 59 210.836 2.957 -4.594 514 HB VAL 59 HB VAL 59 213.404 1.468 -5.017 515 1HG1 VAL 59 HG11 VAL 59 213.091 0.569 -2.678 516 2HG1 VAL 59 HG12 VAL 59 211.982 1.911 -2.397 517 3HG1 VAL 59 HG13 VAL 59 213.672 2.232 -2.780 518 1HG2 VAL 59 HG21 VAL 59 211.771 -0.391 -4.191 519 2HG2 VAL 59 HG22 VAL 59 211.668 0.208 -5.847 520 3HG2 VAL 59 HG23 VAL 59 210.527 0.781 -4.630 521 H GLY 60 HN GLY 60 214.018 4.170 -5.529 522 1HA GLY 60 HA2 GLY 60 214.749 5.372 -3.098 523 2HA GLY 60 HA1 GLY 60 215.287 5.896 -4.690 524 H GLN 61 HN GLN 61 212.659 6.429 -5.696 525 HA GLN 61 HA GLN 61 212.308 9.106 -4.750 526 1HB GLN 61 HB2 GLN 61 210.696 7.445 -6.671 527 2HB GLN 61 HB1 GLN 61 210.464 9.165 -6.379 528 1HG GLN 61 HG2 GLN 61 212.800 9.540 -7.079 529 2HG GLN 61 HG1 GLN 61 212.897 7.836 -7.517 530 1HE2 GLN 61 HE21 GLN 61 210.330 7.532 -8.578 531 2HE2 GLN 61 HE22 GLN 61 210.233 8.410 -10.064 532 H PHE 62 HN PHE 62 210.433 6.111 -4.610 533 HA PHE 62 HA PHE 62 208.169 7.027 -3.293 534 1HB PHE 62 HB2 PHE 62 208.625 4.699 -4.242 535 2HB PHE 62 HB1 PHE 62 209.444 4.353 -2.723 536 HD1 PHE 62 HD1 PHE 62 208.077 2.797 -1.671 537 HD2 PHE 62 HD2 PHE 62 206.360 6.320 -3.324 538 HE1 PHE 62 HE1 PHE 62 205.916 2.226 -0.640 539 HE2 PHE 62 HE2 PHE 62 204.200 5.757 -2.297 540 HZ PHE 62 HZ PHE 62 203.978 3.712 -0.956 541 H TYR 63 HN TYR 63 211.277 5.991 -1.967 542 HA TYR 63 HA TYR 63 210.694 6.024 0.749 543 1HB TYR 63 HB2 TYR 63 213.154 6.464 -0.876 544 2HB TYR 63 HB1 TYR 63 213.208 6.906 0.826 545 HD1 TYR 63 HD1 TYR 63 213.788 4.363 -1.460 546 HD2 TYR 63 HD2 TYR 63 212.263 5.020 2.449 547 HE1 TYR 63 HE1 TYR 63 214.260 2.015 -0.891 548 HE2 TYR 63 HE2 TYR 63 212.728 2.682 3.035 549 HH TYR 63 HH TYR 63 214.722 0.718 1.332 550 H PHE 64 HN PHE 64 212.419 8.565 -0.962 551 HA PHE 64 HA PHE 64 212.431 10.577 0.810 552 1HB PHE 64 HB2 PHE 64 213.507 11.038 -1.192 553 2HB PHE 64 HB1 PHE 64 212.129 10.541 -2.164 554 HD1 PHE 64 HD1 PHE 64 210.634 12.106 -3.001 555 HD2 PHE 64 HD2 PHE 64 213.343 13.230 0.085 556 HE1 PHE 64 HE1 PHE 64 209.980 14.463 -3.288 557 HE2 PHE 64 HE2 PHE 64 212.694 15.586 -0.196 558 HZ PHE 64 HZ PHE 64 211.010 16.205 -1.884 559 H LEU 65 HN LEU 65 209.612 9.634 -1.114 560 HA LEU 65 HA LEU 65 208.027 11.845 -0.309 561 1HB LEU 65 HB2 LEU 65 206.618 11.086 -1.843 562 2HB LEU 65 HB1 LEU 65 207.830 9.875 -2.208 563 HG LEU 65 HG LEU 65 206.711 8.439 -0.456 564 1HD1 LEU 65 HD11 LEU 65 204.847 9.117 0.592 565 2HD1 LEU 65 HD12 LEU 65 204.151 9.772 -0.890 566 3HD1 LEU 65 HD13 LEU 65 205.288 10.737 0.054 567 1HD2 LEU 65 HD21 LEU 65 205.181 7.551 -2.042 568 2HD2 LEU 65 HD22 LEU 65 206.530 8.223 -2.960 569 3HD2 LEU 65 HD23 LEU 65 205.010 9.110 -2.847 570 H ILE 66 HN ILE 66 208.326 8.511 0.845 571 HA ILE 66 HA ILE 66 206.336 8.796 2.867 572 HB ILE 66 HB ILE 66 208.548 6.769 2.531 573 1HG1 ILE 66 HG12 ILE 66 206.936 6.647 0.737 574 2HG1 ILE 66 HG11 ILE 66 206.689 5.278 1.816 575 1HG2 ILE 66 HG21 ILE 66 206.566 7.156 4.676 576 2HG2 ILE 66 HG22 ILE 66 208.139 6.357 4.710 577 3HG2 ILE 66 HG23 ILE 66 206.730 5.507 4.072 578 1HD1 ILE 66 HD11 ILE 66 204.619 5.923 2.346 579 2HD1 ILE 66 HD12 ILE 66 204.731 6.891 0.877 580 3HD1 ILE 66 HD13 ILE 66 205.059 7.627 2.445 581 H ARG 67 HN ARG 67 209.814 9.210 2.704 582 HA ARG 67 HA ARG 67 210.545 9.242 5.348 583 1HB ARG 67 HB2 ARG 67 211.600 10.287 2.863 584 2HB ARG 67 HB1 ARG 67 211.962 11.369 4.199 585 1HG ARG 67 HG2 ARG 67 213.581 10.034 4.903 586 2HG ARG 67 HG1 ARG 67 212.469 8.666 4.998 587 1HD ARG 67 HD2 ARG 67 212.846 8.141 2.683 588 2HD ARG 67 HD1 ARG 67 213.821 9.595 2.474 589 HE ARG 67 HE ARG 67 214.886 7.912 4.503 590 1HH1 ARG 67 HH11 ARG 67 214.654 8.283 1.041 591 2HH1 ARG 67 HH12 ARG 67 216.118 7.414 0.724 592 1HH2 ARG 67 HH21 ARG 67 216.812 6.769 4.088 593 2HH2 ARG 67 HH22 ARG 67 217.343 6.554 2.453 594 H LYS 68 HN LYS 68 209.316 12.047 3.493 595 HA LYS 68 HA LYS 68 209.380 13.858 5.648 596 1HB LYS 68 HB2 LYS 68 207.505 13.856 3.282 597 2HB LYS 68 HB1 LYS 68 207.856 15.225 4.327 598 1HG LYS 68 HG2 LYS 68 209.997 15.491 3.473 599 2HG LYS 68 HG1 LYS 68 210.043 13.849 2.825 600 1HD LYS 68 HD2 LYS 68 207.872 15.450 1.730 601 2HD LYS 68 HD1 LYS 68 209.470 16.128 1.395 602 1HE LYS 68 HE2 LYS 68 210.192 14.077 0.382 603 2HE LYS 68 HE1 LYS 68 208.717 13.263 0.896 604 1HZ LYS 68 HZ1 LYS 68 208.919 15.444 -1.105 605 2HZ LYS 68 HZ2 LYS 68 207.461 14.798 -0.543 606 3HZ LYS 68 HZ3 LYS 68 208.538 13.824 -1.409 607 H ARG 69 HN ARG 69 206.822 11.726 4.440 608 HA ARG 69 HA ARG 69 204.729 12.495 6.077 609 1HB ARG 69 HB2 ARG 69 205.403 9.653 5.295 610 2HB ARG 69 HB1 ARG 69 203.821 10.264 5.760 611 1HG ARG 69 HG2 ARG 69 204.972 11.737 3.537 612 2HG ARG 69 HG1 ARG 69 204.786 10.016 3.195 613 1HD ARG 69 HD2 ARG 69 202.529 10.107 3.256 614 2HD ARG 69 HD1 ARG 69 202.506 11.344 4.513 615 HE ARG 69 HE ARG 69 203.428 12.278 1.949 616 1HH1 ARG 69 HH11 ARG 69 200.642 11.758 3.987 617 2HH1 ARG 69 HH12 ARG 69 199.669 12.933 3.169 618 1HH2 ARG 69 HH21 ARG 69 202.149 13.822 0.873 619 2HH2 ARG 69 HH22 ARG 69 200.524 14.105 1.399 620 H ILE 70 HN ILE 70 207.650 10.858 6.909 621 HA ILE 70 HA ILE 70 206.635 10.307 9.616 622 HB ILE 70 HB ILE 70 209.123 9.059 9.421 623 1HG1 ILE 70 HG12 ILE 70 207.562 8.105 7.053 624 2HG1 ILE 70 HG11 ILE 70 208.673 9.455 6.870 625 1HG2 ILE 70 HG21 ILE 70 207.967 7.290 10.166 626 2HG2 ILE 70 HG22 ILE 70 206.780 7.382 8.864 627 3HG2 ILE 70 HG23 ILE 70 206.635 8.439 10.268 628 1HD1 ILE 70 HD11 ILE 70 209.816 7.168 8.264 629 2HD1 ILE 70 HD12 ILE 70 210.466 8.155 6.954 630 3HD1 ILE 70 HD13 ILE 70 209.338 6.848 6.596 631 H HIS 71 HN HIS 71 208.331 12.553 7.960 632 HA HIS 71 HA HIS 71 209.540 14.344 8.620 633 1HB HIS 71 HB2 HIS 71 209.747 13.157 11.389 634 2HB HIS 71 HB1 HIS 71 209.915 14.845 10.924 635 HD1 HIS 71 HD1 HIS 71 207.992 14.569 13.062 636 HD2 HIS 71 HD2 HIS 71 206.866 13.872 9.124 637 HE1 HIS 71 HE1 HIS 71 205.492 14.840 13.019 638 HE2 HIS 71 HE2 HIS 71 204.844 14.502 10.609 639 H LEU 72 HN LEU 72 210.739 12.543 7.248 640 HA LEU 72 HA LEU 72 213.415 12.294 8.448 641 1HB LEU 72 HB2 LEU 72 212.115 10.396 6.506 642 2HB LEU 72 HB1 LEU 72 213.723 10.230 7.190 643 HG LEU 72 HG LEU 72 211.064 9.883 8.551 644 1HD1 LEU 72 HD11 LEU 72 211.694 7.695 8.869 645 2HD1 LEU 72 HD12 LEU 72 213.417 8.061 8.750 646 3HD1 LEU 72 HD13 LEU 72 212.415 8.046 7.298 647 1HD2 LEU 72 HD21 LEU 72 213.592 10.802 9.715 648 2HD2 LEU 72 HD22 LEU 72 212.883 9.399 10.515 649 3HD2 LEU 72 HD23 LEU 72 211.950 10.886 10.351 650 H ARG 73 HN ARG 73 215.107 13.005 7.222 651 HA ARG 73 HA ARG 73 214.475 13.930 4.496 652 1HB ARG 73 HB2 ARG 73 216.226 15.762 5.046 653 2HB ARG 73 HB1 ARG 73 214.584 15.939 5.649 654 1HG ARG 73 HG2 ARG 73 216.722 14.682 7.327 655 2HG ARG 73 HG1 ARG 73 216.534 16.435 7.237 656 1HD ARG 73 HD2 ARG 73 213.973 15.239 7.660 657 2HD ARG 73 HD1 ARG 73 215.110 14.600 8.847 658 HE ARG 73 HE ARG 73 215.491 17.333 8.809 659 1HH1 ARG 73 HH11 ARG 73 212.869 15.141 9.512 660 2HH1 ARG 73 HH12 ARG 73 212.120 16.204 10.655 661 1HH2 ARG 73 HH21 ARG 73 214.508 18.734 10.311 662 2HH2 ARG 73 HH22 ARG 73 213.050 18.245 11.109 663 H ALA 74 HN ALA 74 215.422 11.704 4.086 664 HA ALA 74 HA ALA 74 217.099 10.457 3.180 665 1HB ALA 74 HB1 ALA 74 218.594 11.548 1.881 666 2HB ALA 74 HB2 ALA 74 219.065 12.659 3.166 667 3HB ALA 74 HB3 ALA 74 217.571 12.931 2.270 668 H GLU 75 HN GLU 75 218.913 12.786 5.184 669 HA GLU 75 HA GLU 75 220.847 11.091 6.125 670 1HB GLU 75 HB2 GLU 75 219.496 13.389 7.547 671 2HB GLU 75 HB1 GLU 75 220.945 12.594 8.145 672 1HG GLU 75 HG2 GLU 75 221.752 13.169 5.658 673 2HG GLU 75 HG1 GLU 75 220.599 14.480 5.906 674 H ASP 76 HN ASP 76 217.525 11.364 7.161 675 HA ASP 76 HA ASP 76 217.830 9.766 9.521 676 1HB ASP 76 HB2 ASP 76 215.459 10.753 7.949 677 2HB ASP 76 HB1 ASP 76 215.263 9.631 9.293 678 H ALA 77 HN ALA 77 216.952 7.645 9.829 679 HA ALA 77 HA ALA 77 217.489 5.937 7.560 680 1HB ALA 77 HB1 ALA 77 216.836 5.246 10.418 681 2HB ALA 77 HB2 ALA 77 218.445 5.331 9.697 682 3HB ALA 77 HB3 ALA 77 217.303 4.096 9.165 683 H LEU 78 HN LEU 78 216.095 4.660 6.529 684 HA LEU 78 HA LEU 78 213.437 4.117 7.392 685 1HB LEU 78 HB2 LEU 78 213.107 6.425 6.675 686 2HB LEU 78 HB1 LEU 78 213.810 6.059 5.113 687 HG LEU 78 HG LEU 78 211.928 4.451 4.723 688 1HD1 LEU 78 HD11 LEU 78 211.117 3.896 6.825 689 2HD1 LEU 78 HD12 LEU 78 209.885 4.990 6.193 690 3HD1 LEU 78 HD13 LEU 78 211.069 5.577 7.359 691 1HD2 LEU 78 HD21 LEU 78 211.000 7.265 5.260 692 2HD2 LEU 78 HD22 LEU 78 210.369 6.128 4.068 693 3HD2 LEU 78 HD23 LEU 78 211.986 6.807 3.872 694 H PHE 79 HN PHE 79 213.239 2.085 6.735 695 HA PHE 79 HA PHE 79 214.188 1.387 4.032 696 1HB PHE 79 HB2 PHE 79 214.100 -0.438 6.447 697 2HB PHE 79 HB1 PHE 79 214.689 -0.861 4.844 698 HD1 PHE 79 HD1 PHE 79 215.330 1.387 7.726 699 HD2 PHE 79 HD2 PHE 79 216.919 -0.539 4.279 700 HE1 PHE 79 HE1 PHE 79 217.595 2.093 8.380 701 HE2 PHE 79 HE2 PHE 79 219.186 0.163 4.927 702 HZ PHE 79 HZ PHE 79 219.526 1.482 6.980 703 H PHE 80 HN PHE 80 212.708 0.557 2.692 704 HA PHE 80 HA PHE 80 210.004 0.248 3.636 705 1HB PHE 80 HB2 PHE 80 211.296 0.160 0.925 706 2HB PHE 80 HB1 PHE 80 209.633 -0.365 1.145 707 HD1 PHE 80 HD1 PHE 80 210.678 1.933 -0.571 708 HD2 PHE 80 HD2 PHE 80 209.116 1.785 3.386 709 HE1 PHE 80 HE1 PHE 80 209.930 4.265 -0.778 710 HE2 PHE 80 HE2 PHE 80 208.370 4.116 3.185 711 HZ PHE 80 HZ PHE 80 208.776 5.359 1.101 712 H PHE 81 HN PHE 81 208.816 -1.599 3.738 713 HA PHE 81 HA PHE 81 210.190 -4.115 3.137 714 1HB PHE 81 HB2 PHE 81 208.653 -3.513 5.671 715 2HB PHE 81 HB1 PHE 81 209.311 -5.089 5.228 716 HD1 PHE 81 HD1 PHE 81 210.111 -1.699 6.343 717 HD2 PHE 81 HD2 PHE 81 211.672 -5.531 5.351 718 HE1 PHE 81 HE1 PHE 81 212.262 -1.081 7.362 719 HE2 PHE 81 HE2 PHE 81 213.825 -4.924 6.376 720 HZ PHE 81 HZ PHE 81 214.129 -2.695 7.374 721 H VAL 82 HN VAL 82 209.046 -5.061 1.606 722 HA VAL 82 HA VAL 82 206.107 -4.959 1.784 723 HB VAL 82 HB VAL 82 207.187 -3.840 -0.246 724 1HG1 VAL 82 HG11 VAL 82 208.906 -5.619 -0.574 725 2HG1 VAL 82 HG12 VAL 82 208.005 -5.197 -2.030 726 3HG1 VAL 82 HG13 VAL 82 207.621 -6.678 -1.153 727 1HG2 VAL 82 HG21 VAL 82 205.359 -6.081 -1.037 728 2HG2 VAL 82 HG22 VAL 82 205.407 -4.421 -1.635 729 3HG2 VAL 82 HG23 VAL 82 204.804 -4.758 -0.012 730 H ASN 83 HN ASN 83 205.198 -6.843 2.281 731 HA ASN 83 HA ASN 83 204.858 -9.085 2.528 732 1HB ASN 83 HB2 ASN 83 207.012 -9.481 0.435 733 2HB ASN 83 HB1 ASN 83 205.758 -10.625 0.903 734 1HD2 ASN 83 HD21 ASN 83 205.978 -10.127 -1.683 735 2HD2 ASN 83 HD22 ASN 83 204.694 -9.120 -2.249 736 H ASN 84 HN ASN 84 207.101 -7.436 3.761 737 HA ASN 84 HA ASN 84 208.355 -7.849 5.636 738 1HB ASN 84 HB2 ASN 84 207.270 -10.302 5.390 739 2HB ASN 84 HB1 ASN 84 208.947 -10.687 5.016 740 1HD2 ASN 84 HD21 ASN 84 209.009 -11.928 6.937 741 2HD2 ASN 84 HD22 ASN 84 209.199 -11.167 8.476 742 H VAL 85 HN VAL 85 209.161 -7.846 2.504 743 HA VAL 85 HA VAL 85 212.021 -8.237 3.056 744 HB VAL 85 HB VAL 85 211.088 -9.784 1.413 745 1HG1 VAL 85 HG11 VAL 85 209.502 -9.002 0.055 746 2HG1 VAL 85 HG12 VAL 85 210.832 -8.388 -0.924 747 3HG1 VAL 85 HG13 VAL 85 210.041 -7.336 0.250 748 1HG2 VAL 85 HG21 VAL 85 213.472 -8.858 1.385 749 2HG2 VAL 85 HG22 VAL 85 212.946 -7.935 -0.022 750 3HG2 VAL 85 HG23 VAL 85 212.898 -9.698 -0.056 751 H ILE 86 HN ILE 86 213.485 -6.907 1.859 752 HA ILE 86 HA ILE 86 212.528 -4.151 1.698 753 HB ILE 86 HB ILE 86 215.347 -5.221 1.679 754 1HG1 ILE 86 HG12 ILE 86 213.462 -4.383 3.833 755 2HG1 ILE 86 HG11 ILE 86 214.657 -5.674 3.829 756 1HG2 ILE 86 HG21 ILE 86 214.639 -2.855 0.670 757 2HG2 ILE 86 HG22 ILE 86 216.134 -3.085 1.573 758 3HG2 ILE 86 HG23 ILE 86 214.718 -2.404 2.372 759 1HD1 ILE 86 HD11 ILE 86 216.433 -4.036 4.081 760 2HD1 ILE 86 HD12 ILE 86 215.249 -3.908 5.380 761 3HD1 ILE 86 HD13 ILE 86 215.240 -2.738 4.064 762 HA PRO 87 HA PRO 87 212.691 -4.616 -2.778 763 1HB PRO 87 HB2 PRO 87 211.571 -2.256 -3.406 764 2HB PRO 87 HB1 PRO 87 210.616 -3.595 -2.757 765 1HG PRO 87 HG2 PRO 87 211.690 -1.179 -1.352 766 2HG PRO 87 HG1 PRO 87 210.095 -1.941 -1.209 767 1HD PRO 87 HD2 PRO 87 212.133 -2.335 0.575 768 2HD PRO 87 HD1 PRO 87 210.849 -3.521 0.270 769 HA PRO 88 HA PRO 88 216.417 -2.431 -3.754 770 1HB PRO 88 HB2 PRO 88 215.703 -2.560 -6.587 771 2HB PRO 88 HB1 PRO 88 216.989 -3.405 -5.722 772 1HG PRO 88 HG2 PRO 88 214.817 -4.688 -6.688 773 2HG PRO 88 HG1 PRO 88 215.642 -5.201 -5.205 774 1HD PRO 88 HD2 PRO 88 213.131 -3.595 -5.514 775 2HD PRO 88 HD1 PRO 88 213.489 -4.928 -4.393 776 H THR 89 HN THR 89 216.919 -0.329 -3.796 777 HA THR 89 HA THR 89 215.016 1.689 -4.143 778 HB THR 89 HB THR 89 217.131 3.176 -4.357 779 HG1 THR 89 HG1 THR 89 218.425 1.263 -4.953 780 1HG2 THR 89 HG21 THR 89 217.752 2.203 -1.869 781 2HG2 THR 89 HG22 THR 89 216.061 1.747 -2.071 782 3HG2 THR 89 HG23 THR 89 216.543 3.435 -2.234 783 H SER 90 HN SER 90 216.905 -0.020 -6.452 784 HA SER 90 HA SER 90 216.755 1.986 -8.508 785 1HB SER 90 HB2 SER 90 218.530 0.113 -8.231 786 2HB SER 90 HB1 SER 90 217.335 -0.922 -9.011 787 HG SER 90 HG SER 90 217.301 0.755 -10.700 788 H ALA 91 HN ALA 91 214.980 -0.933 -7.636 789 HA ALA 91 HA ALA 91 213.449 -1.227 -9.954 790 1HB ALA 91 HB1 ALA 91 213.586 -2.891 -8.120 791 2HB ALA 91 HB2 ALA 91 211.932 -2.548 -8.634 792 3HB ALA 91 HB3 ALA 91 212.557 -1.846 -7.141 793 H THR 92 HN THR 92 211.273 -0.639 -10.416 794 HA THR 92 HA THR 92 210.567 1.982 -9.315 795 HB THR 92 HB THR 92 209.358 2.400 -11.316 796 HG1 THR 92 HG1 THR 92 208.983 0.762 -12.842 797 1HG2 THR 92 HG21 THR 92 211.639 2.682 -11.813 798 2HG2 THR 92 HG22 THR 92 210.952 1.771 -13.159 799 3HG2 THR 92 HG23 THR 92 211.907 0.943 -11.929 800 H MET 93 HN MET 93 208.478 2.460 -8.615 801 HA MET 93 HA MET 93 207.181 0.636 -7.025 802 1HB MET 93 HB2 MET 93 206.119 3.084 -8.423 803 2HB MET 93 HB1 MET 93 205.153 2.154 -7.286 804 1HG MET 93 HG2 MET 93 207.783 2.883 -6.262 805 2HG MET 93 HG1 MET 93 206.768 4.264 -6.667 806 1HE MET 93 HE1 MET 93 204.979 0.845 -5.315 807 2HE MET 93 HE2 MET 93 205.664 0.948 -3.692 808 3HE MET 93 HE3 MET 93 206.728 0.803 -5.092 809 H GLY 94 HN GLY 94 206.543 1.371 -10.429 810 1HA GLY 94 HA2 GLY 94 204.227 -0.172 -10.746 811 2HA GLY 94 HA1 GLY 94 205.363 0.224 -12.028 812 H GLN 95 HN GLN 95 207.644 -1.068 -11.046 813 HA GLN 95 HA GLN 95 207.211 -3.693 -11.957 814 1HB GLN 95 HB2 GLN 95 209.520 -2.457 -10.449 815 2HB GLN 95 HB1 GLN 95 209.535 -4.110 -11.048 816 1HG GLN 95 HG2 GLN 95 208.827 -2.733 -13.282 817 2HG GLN 95 HG1 GLN 95 209.897 -1.586 -12.477 818 1HE2 GLN 95 HE21 GLN 95 211.869 -1.716 -13.245 819 2HE2 GLN 95 HE22 GLN 95 212.703 -3.163 -13.688 820 H LEU 96 HN LEU 96 207.517 -2.310 -8.728 821 HA LEU 96 HA LEU 96 207.463 -4.748 -7.307 822 1HB LEU 96 HB2 LEU 96 206.465 -2.031 -6.440 823 2HB LEU 96 HB1 LEU 96 206.760 -3.390 -5.375 824 HG LEU 96 HG LEU 96 208.775 -1.737 -6.870 825 1HD1 LEU 96 HD11 LEU 96 209.718 -1.482 -4.591 826 2HD1 LEU 96 HD12 LEU 96 208.338 -2.379 -3.956 827 3HD1 LEU 96 HD13 LEU 96 208.090 -0.824 -4.753 828 1HD2 LEU 96 HD21 LEU 96 210.503 -3.255 -6.157 829 2HD2 LEU 96 HD22 LEU 96 209.315 -4.150 -7.105 830 3HD2 LEU 96 HD23 LEU 96 209.320 -4.283 -5.347 831 H TYR 97 HN TYR 97 204.893 -2.420 -8.064 832 HA TYR 97 HA TYR 97 202.757 -3.851 -6.993 833 1HB TYR 97 HB2 TYR 97 202.499 -1.540 -7.683 834 2HB TYR 97 HB1 TYR 97 202.783 -1.984 -9.364 835 HD1 TYR 97 HD1 TYR 97 201.114 -3.530 -10.497 836 HD2 TYR 97 HD2 TYR 97 200.339 -1.633 -6.763 837 HE1 TYR 97 HE1 TYR 97 198.702 -3.913 -10.807 838 HE2 TYR 97 HE2 TYR 97 197.927 -2.013 -7.065 839 HH TYR 97 HH TYR 97 196.332 -2.435 -8.816 840 H GLN 98 HN GLN 98 204.412 -4.202 -10.060 841 HA GLN 98 HA GLN 98 202.431 -5.949 -11.166 842 1HB GLN 98 HB2 GLN 98 205.260 -5.330 -11.988 843 2HB GLN 98 HB1 GLN 98 204.196 -6.406 -12.881 844 1HG GLN 98 HG2 GLN 98 202.743 -4.047 -12.496 845 2HG GLN 98 HG1 GLN 98 204.371 -3.549 -12.954 846 1HE2 GLN 98 HE21 GLN 98 204.088 -2.923 -15.003 847 2HE2 GLN 98 HE22 GLN 98 203.484 -3.930 -16.269 848 H GLU 99 HN GLU 99 205.225 -6.330 -9.141 849 HA GLU 99 HA GLU 99 204.960 -9.257 -9.360 850 1HB GLU 99 HB2 GLU 99 207.389 -7.540 -8.938 851 2HB GLU 99 HB1 GLU 99 207.386 -9.268 -8.602 852 1HG GLU 99 HG2 GLU 99 206.347 -9.156 -11.127 853 2HG GLU 99 HG1 GLU 99 207.526 -7.844 -11.137 854 H HIS 100 HN HIS 100 203.738 -7.191 -7.410 855 HA HIS 100 HA HIS 100 204.366 -8.765 -5.047 856 1HB HIS 100 HB2 HIS 100 204.656 -5.774 -5.152 857 2HB HIS 100 HB1 HIS 100 204.515 -6.676 -3.647 858 HD1 HIS 100 HD1 HIS 100 206.628 -7.559 -2.686 859 HD2 HIS 100 HD2 HIS 100 207.039 -6.560 -6.700 860 HE1 HIS 100 HE1 HIS 100 209.072 -7.838 -3.200 861 HE2 HIS 100 HE2 HIS 100 209.312 -7.140 -5.610 862 H HIS 101 HN HIS 101 202.216 -6.611 -6.696 863 HA HIS 101 HA HIS 101 200.275 -6.131 -4.812 864 1HB HIS 101 HB2 HIS 101 198.714 -5.835 -6.588 865 2HB HIS 101 HB1 HIS 101 200.283 -5.320 -7.200 866 HD1 HIS 101 HD1 HIS 101 201.555 -7.383 -8.599 867 HD2 HIS 101 HD2 HIS 101 197.417 -7.525 -8.246 868 HE1 HIS 101 HE1 HIS 101 200.778 -8.935 -10.420 869 HE2 HIS 101 HE2 HIS 101 198.265 -8.937 -10.241 870 H GLU 102 HN GLU 102 199.468 -7.508 -3.423 871 HA GLU 102 HA GLU 102 199.349 -10.303 -3.847 872 1HB GLU 102 HB2 GLU 102 198.054 -8.647 -1.678 873 2HB GLU 102 HB1 GLU 102 198.347 -10.384 -1.628 874 1HG GLU 102 HG2 GLU 102 200.178 -9.734 -0.490 875 2HG GLU 102 HG1 GLU 102 200.835 -9.533 -2.115 876 H GLU 103 HN GLU 103 198.080 -9.979 -5.916 877 HA GLU 103 HA GLU 103 196.146 -10.040 -7.143 878 1HB GLU 103 HB2 GLU 103 196.442 -12.314 -6.150 879 2HB GLU 103 HB1 GLU 103 195.310 -11.856 -4.885 880 1HG GLU 103 HG2 GLU 103 193.533 -12.167 -6.197 881 2HG GLU 103 HG1 GLU 103 194.298 -11.388 -7.581 882 H ASP 104 HN ASP 104 196.125 -7.875 -5.129 883 HA ASP 104 HA ASP 104 193.197 -7.632 -4.827 884 1HB ASP 104 HB2 ASP 104 193.736 -6.073 -2.903 885 2HB ASP 104 HB1 ASP 104 194.088 -7.775 -2.619 886 H PHE 105 HN PHE 105 195.221 -6.787 -6.966 887 HA PHE 105 HA PHE 105 195.653 -4.994 -8.307 888 1HB PHE 105 HB2 PHE 105 192.960 -4.181 -7.200 889 2HB PHE 105 HB1 PHE 105 193.765 -3.348 -8.526 890 HD1 PHE 105 HD1 PHE 105 193.034 -3.885 -10.624 891 HD2 PHE 105 HD2 PHE 105 192.919 -6.864 -7.587 892 HE1 PHE 105 HE1 PHE 105 192.044 -5.472 -12.223 893 HE2 PHE 105 HE2 PHE 105 191.930 -8.456 -9.181 894 HZ PHE 105 HZ PHE 105 191.491 -7.760 -11.502 895 H PHE 106 HN PHE 106 196.257 -4.893 -5.283 896 HA PHE 106 HA PHE 106 196.826 -2.018 -5.133 897 1HB PHE 106 HB2 PHE 106 195.622 -3.873 -3.193 898 2HB PHE 106 HB1 PHE 106 196.909 -2.869 -2.531 899 HD1 PHE 106 HD1 PHE 106 194.697 -1.788 -5.254 900 HD2 PHE 106 HD2 PHE 106 195.513 -1.587 -1.083 901 HE1 PHE 106 HE1 PHE 106 193.113 0.091 -5.035 902 HE2 PHE 106 HE2 PHE 106 193.931 0.286 -0.858 903 HZ PHE 106 HZ PHE 106 192.730 1.125 -2.835 904 H LEU 107 HN LEU 107 198.518 -1.968 -3.043 905 HA LEU 107 HA LEU 107 200.588 -3.937 -3.269 906 1HB LEU 107 HB2 LEU 107 200.919 -2.609 -5.304 907 2HB LEU 107 HB1 LEU 107 201.062 -1.152 -4.335 908 HG LEU 107 HG LEU 107 203.254 -1.720 -4.975 909 1HD1 LEU 107 HD11 LEU 107 202.972 -2.876 -2.214 910 2HD1 LEU 107 HD12 LEU 107 203.043 -1.156 -2.595 911 3HD1 LEU 107 HD13 LEU 107 204.421 -2.194 -2.945 912 1HD2 LEU 107 HD21 LEU 107 203.481 -4.398 -3.867 913 2HD2 LEU 107 HD22 LEU 107 203.951 -3.785 -5.452 914 3HD2 LEU 107 HD23 LEU 107 202.292 -4.308 -5.166 915 H TYR 108 HN TYR 108 200.213 -4.059 -1.041 916 HA TYR 108 HA TYR 108 200.550 -1.692 0.582 917 1HB TYR 108 HB2 TYR 108 199.630 -2.879 2.320 918 2HB TYR 108 HB1 TYR 108 198.907 -3.684 0.938 919 HD1 TYR 108 HD1 TYR 108 199.971 -4.282 3.977 920 HD2 TYR 108 HD2 TYR 108 200.811 -5.614 0.052 921 HE1 TYR 108 HE1 TYR 108 200.784 -6.428 4.900 922 HE2 TYR 108 HE2 TYR 108 201.626 -7.768 0.934 923 HH TYR 108 HH TYR 108 202.564 -8.299 3.894 924 H ILE 109 HN ILE 109 202.244 -1.036 1.597 925 HA ILE 109 HA ILE 109 204.638 -2.753 1.721 926 HB ILE 109 HB ILE 109 204.445 0.173 1.033 927 1HG1 ILE 109 HG12 ILE 109 204.870 -2.326 -0.559 928 2HG1 ILE 109 HG11 ILE 109 203.774 -0.983 -0.856 929 1HG2 ILE 109 HG21 ILE 109 206.470 -0.093 2.239 930 2HG2 ILE 109 HG22 ILE 109 206.910 -0.073 0.533 931 3HG2 ILE 109 HG23 ILE 109 206.849 -1.603 1.407 932 1HD1 ILE 109 HD11 ILE 109 206.611 -1.314 -1.573 933 2HD1 ILE 109 HD12 ILE 109 206.085 0.306 -1.119 934 3HD1 ILE 109 HD13 ILE 109 205.297 -0.535 -2.454 935 H ALA 110 HN ALA 110 206.296 -1.879 3.271 936 HA ALA 110 HA ALA 110 205.135 -0.434 5.557 937 1HB ALA 110 HB1 ALA 110 206.586 -2.002 6.991 938 2HB ALA 110 HB2 ALA 110 206.548 -3.073 5.593 939 3HB ALA 110 HB3 ALA 110 205.044 -2.604 6.387 940 H TYR 111 HN TYR 111 206.813 0.415 7.015 941 HA TYR 111 HA TYR 111 209.453 0.749 5.823 942 1HB TYR 111 HB2 TYR 111 209.396 3.133 5.755 943 2HB TYR 111 HB1 TYR 111 207.976 2.557 4.891 944 HD1 TYR 111 HD1 TYR 111 209.144 4.055 8.039 945 HD2 TYR 111 HD2 TYR 111 205.793 3.113 5.627 946 HE1 TYR 111 HE1 TYR 111 207.729 5.433 9.504 947 HE2 TYR 111 HE2 TYR 111 204.350 4.488 7.060 948 HH TYR 111 HH TYR 111 205.651 6.187 9.901 949 H SER 112 HN SER 112 211.000 0.760 7.314 950 HA SER 112 HA SER 112 210.349 1.509 10.095 951 1HB SER 112 HB2 SER 112 210.458 -0.704 10.550 952 2HB SER 112 HB1 SER 112 211.312 -1.081 9.058 953 HG SER 112 HG SER 112 212.354 -0.191 11.525 954 H ASP 113 HN ASP 113 212.348 1.911 11.391 955 HA ASP 113 HA ASP 113 214.150 3.558 9.845 956 1HB ASP 113 HB2 ASP 113 214.922 4.412 11.945 957 2HB ASP 113 HB1 ASP 113 213.170 4.258 12.056 958 H GLU 114 HN GLU 114 214.100 0.351 10.429 959 HA GLU 114 HA GLU 114 217.043 0.153 10.424 960 1HB GLU 114 HB2 GLU 114 215.119 -1.832 11.649 961 2HB GLU 114 HB1 GLU 114 216.874 -1.947 11.644 962 1HG GLU 114 HG2 GLU 114 215.963 0.552 12.784 963 2HG GLU 114 HG1 GLU 114 215.286 -0.844 13.621 964 H SER 115 HN SER 115 217.655 -2.173 9.634 965 HA SER 115 HA SER 115 216.577 -2.374 6.966 966 1HB SER 115 HB2 SER 115 218.320 -4.141 6.662 967 2HB SER 115 HB1 SER 115 218.967 -2.594 7.212 968 HG SER 115 HG SER 115 218.366 -4.800 8.896 969 H VAL 116 HN VAL 116 215.355 -3.482 9.733 970 HA VAL 116 HA VAL 116 214.407 -5.989 8.536 971 HB VAL 116 HB VAL 116 213.670 -5.890 11.282 972 1HG1 VAL 116 HG11 VAL 116 215.250 -7.885 11.373 973 2HG1 VAL 116 HG12 VAL 116 215.559 -7.575 9.665 974 3HG1 VAL 116 HG13 VAL 116 213.926 -7.959 10.210 975 1HG2 VAL 116 HG21 VAL 116 216.638 -5.464 10.917 976 2HG2 VAL 116 HG22 VAL 116 215.795 -5.781 12.433 977 3HG2 VAL 116 HG23 VAL 116 215.515 -4.270 11.569 978 H TYR 117 HN TYR 117 212.132 -6.440 8.925 979 HA TYR 117 HA TYR 117 210.487 -4.249 8.330 980 1HB TYR 117 HB2 TYR 117 209.724 -6.405 7.664 981 2HB TYR 117 HB1 TYR 117 209.835 -7.029 9.308 982 HD1 TYR 117 HD1 TYR 117 207.705 -7.577 10.036 983 HD2 TYR 117 HD2 TYR 117 208.285 -3.944 7.908 984 HE1 TYR 117 HE1 TYR 117 205.356 -6.971 10.441 985 HE2 TYR 117 HE2 TYR 117 205.940 -3.333 8.295 986 HH TYR 117 HH TYR 117 203.824 -4.371 8.819 987 H GLY 118 HN GLY 118 211.398 -2.880 10.140 988 1HA GLY 118 HA2 GLY 118 210.974 -1.698 12.062 989 2HA GLY 118 HA1 GLY 118 209.419 -2.518 12.124 990 H LEU 119 HN LEU 119 209.642 -4.903 12.741 991 HA LEU 119 HA LEU 119 209.972 -5.449 15.233 992 1HB LEU 119 HB2 LEU 119 210.808 -7.037 12.868 993 2HB LEU 119 HB1 LEU 119 211.199 -7.666 14.459 994 HG LEU 119 HG LEU 119 208.428 -6.776 14.275 995 1HD1 LEU 119 HD11 LEU 119 208.673 -9.314 12.856 996 2HD1 LEU 119 HD12 LEU 119 209.300 -7.941 11.946 997 3HD1 LEU 119 HD13 LEU 119 207.635 -7.926 12.527 998 1HD2 LEU 119 HD21 LEU 119 209.703 -9.408 15.002 999 2HD2 LEU 119 HD22 LEU 119 208.031 -8.940 15.311 1000 3HD2 LEU 119 HD23 LEU 119 209.349 -8.082 16.112 Start of MODEL 11 1 1H GLY 1 HT1 GLY 1 207.484 -14.274 6.815 2 2H GLY 1 HT2 GLY 1 206.306 -14.852 7.882 3 3H GLY 1 HT3 GLY 1 207.625 -13.973 8.474 4 1HA GLY 1 HA1 GLY 1 206.875 -11.997 7.298 5 2HA GLY 1 HA2 GLY 1 205.502 -12.910 6.691 6 H SER 2 HN SER 2 206.829 -11.170 9.346 7 HA SER 2 HA SER 2 204.362 -11.647 10.886 8 1HB SER 2 HB2 SER 2 206.833 -12.247 11.772 9 2HB SER 2 HB1 SER 2 206.745 -10.562 12.284 10 HG SER 2 HG SER 2 205.751 -12.595 13.538 11 H MET 3 HN MET 3 203.971 -9.842 9.054 12 HA MET 3 HA MET 3 204.729 -7.199 9.965 13 1HB MET 3 HB2 MET 3 203.192 -8.234 7.597 14 2HB MET 3 HB1 MET 3 203.215 -6.521 7.986 15 1HG MET 3 HG2 MET 3 205.775 -6.770 7.958 16 2HG MET 3 HG1 MET 3 205.464 -8.277 7.101 17 1HE MET 3 HE1 MET 3 205.075 -4.460 7.183 18 2HE MET 3 HE2 MET 3 205.282 -4.050 5.481 19 3HE MET 3 HE3 MET 3 206.598 -4.824 6.370 20 H LYS 4 HN LYS 4 203.528 -5.879 11.175 21 HA LYS 4 HA LYS 4 200.791 -6.729 11.845 22 1HB LYS 4 HB2 LYS 4 202.971 -5.401 13.367 23 2HB LYS 4 HB1 LYS 4 201.325 -4.898 13.735 24 1HG LYS 4 HG2 LYS 4 201.816 -6.608 15.259 25 2HG LYS 4 HG1 LYS 4 200.789 -7.356 14.034 26 1HD LYS 4 HD2 LYS 4 202.361 -8.923 13.829 27 2HD LYS 4 HD1 LYS 4 203.369 -7.693 13.062 28 1HE LYS 4 HE2 LYS 4 203.373 -7.610 15.992 29 2HE LYS 4 HE1 LYS 4 204.033 -9.095 15.307 30 1HZ LYS 4 HZ1 LYS 4 205.288 -7.378 13.791 31 2HZ LYS 4 HZ2 LYS 4 205.883 -7.796 15.318 32 3HZ LYS 4 HZ3 LYS 4 205.030 -6.351 15.111 33 H PHE 5 HN PHE 5 199.430 -5.721 10.479 34 HA PHE 5 HA PHE 5 199.792 -2.828 10.052 35 1HB PHE 5 HB2 PHE 5 198.642 -4.988 8.305 36 2HB PHE 5 HB1 PHE 5 198.236 -3.296 8.039 37 HD1 PHE 5 HD1 PHE 5 199.318 -2.598 6.134 38 HD2 PHE 5 HD2 PHE 5 201.441 -4.958 8.959 39 HE1 PHE 5 HE1 PHE 5 201.376 -2.308 4.824 40 HE2 PHE 5 HE2 PHE 5 203.498 -4.663 7.664 41 HZ PHE 5 HZ PHE 5 203.474 -3.340 5.589 42 H VAL 6 HN VAL 6 197.585 -1.796 9.382 43 HA VAL 6 HA VAL 6 195.412 -2.801 11.066 44 HB VAL 6 HB VAL 6 195.154 -0.064 11.369 45 1HG1 VAL 6 HG11 VAL 6 196.443 -1.958 13.324 46 2HG1 VAL 6 HG12 VAL 6 194.710 -1.860 13.013 47 3HG1 VAL 6 HG13 VAL 6 195.564 -0.478 13.700 48 1HG2 VAL 6 HG21 VAL 6 198.060 -0.811 11.596 49 2HG2 VAL 6 HG22 VAL 6 197.356 0.585 12.411 50 3HG2 VAL 6 HG23 VAL 6 197.338 0.490 10.651 51 H TYR 7 HN TYR 7 195.953 0.190 9.152 52 HA TYR 7 HA TYR 7 193.405 0.328 8.085 53 1HB TYR 7 HB2 TYR 7 195.258 2.064 7.866 54 2HB TYR 7 HB1 TYR 7 195.863 1.110 6.514 55 HD1 TYR 7 HD1 TYR 7 195.177 1.712 4.388 56 HD2 TYR 7 HD2 TYR 7 192.653 2.611 7.698 57 HE1 TYR 7 HE1 TYR 7 193.609 2.856 2.878 58 HE2 TYR 7 HE2 TYR 7 191.080 3.754 6.194 59 HH TYR 7 HH TYR 7 191.778 4.819 3.267 60 H LYS 8 HN LYS 8 196.281 -1.089 6.534 61 HA LYS 8 HA LYS 8 194.910 -2.221 4.349 62 1HB LYS 8 HB2 LYS 8 197.347 -1.892 4.356 63 2HB LYS 8 HB1 LYS 8 197.505 -3.062 5.657 64 1HG LYS 8 HG2 LYS 8 198.111 -4.187 3.683 65 2HG LYS 8 HG1 LYS 8 196.500 -4.768 4.106 66 1HD LYS 8 HD2 LYS 8 195.662 -2.911 2.527 67 2HD LYS 8 HD1 LYS 8 197.317 -2.894 1.916 68 1HE LYS 8 HE2 LYS 8 195.538 -5.326 2.040 69 2HE LYS 8 HE1 LYS 8 195.816 -4.349 0.599 70 1HZ LYS 8 HZ1 LYS 8 198.100 -5.511 2.044 71 2HZ LYS 8 HZ2 LYS 8 197.974 -5.085 0.412 72 3HZ LYS 8 HZ3 LYS 8 197.202 -6.475 0.985 73 H GLU 9 HN GLU 9 195.641 -3.348 7.587 74 HA GLU 9 HA GLU 9 194.888 -6.039 7.272 75 1HB GLU 9 HB2 GLU 9 196.034 -4.564 9.254 76 2HB GLU 9 HB1 GLU 9 194.422 -4.821 9.909 77 1HG GLU 9 HG2 GLU 9 194.848 -6.939 10.390 78 2HG GLU 9 HG1 GLU 9 195.550 -7.243 8.802 79 H GLU 10 HN GLU 10 193.139 -3.518 9.067 80 HA GLU 10 HA GLU 10 190.739 -4.735 9.436 81 1HB GLU 10 HB2 GLU 10 191.310 -1.837 8.813 82 2HB GLU 10 HB1 GLU 10 189.732 -2.415 9.333 83 1HG GLU 10 HG2 GLU 10 190.812 -3.302 11.393 84 2HG GLU 10 HG1 GLU 10 192.309 -2.523 10.880 85 H HIS 11 HN HIS 11 191.509 -2.654 6.630 86 HA HIS 11 HA HIS 11 189.120 -3.071 5.233 87 1HB HIS 11 HB2 HIS 11 191.908 -2.363 4.353 88 2HB HIS 11 HB1 HIS 11 190.615 -2.583 3.178 89 HD1 HIS 11 HD1 HIS 11 191.054 -0.601 6.407 90 HD2 HIS 11 HD2 HIS 11 189.418 -0.236 2.604 91 HE1 HIS 11 HE1 HIS 11 190.118 1.730 6.298 92 HE2 HIS 11 HE2 HIS 11 189.062 1.901 4.017 93 HA PRO 12 HA PRO 12 189.550 -7.519 4.610 94 1HB PRO 12 HB2 PRO 12 187.187 -6.825 2.922 95 2HB PRO 12 HB1 PRO 12 187.396 -8.157 4.067 96 1HG PRO 12 HG2 PRO 12 185.956 -6.060 4.773 97 2HG PRO 12 HG1 PRO 12 187.107 -6.761 5.926 98 1HD PRO 12 HD2 PRO 12 187.364 -4.290 4.260 99 2HD PRO 12 HD1 PRO 12 187.857 -4.571 5.941 100 H PHE 13 HN PHE 13 189.100 -8.822 2.415 101 HA PHE 13 HA PHE 13 191.122 -7.921 0.625 102 1HB PHE 13 HB2 PHE 13 190.421 -10.350 1.274 103 2HB PHE 13 HB1 PHE 13 189.250 -10.167 -0.027 104 HD1 PHE 13 HD1 PHE 13 190.269 -9.265 -2.291 105 HD2 PHE 13 HD2 PHE 13 192.478 -11.223 0.777 106 HE1 PHE 13 HE1 PHE 13 192.000 -9.882 -3.931 107 HE2 PHE 13 HE2 PHE 13 194.210 -11.841 -0.856 108 HZ PHE 13 HZ PHE 13 193.974 -11.172 -3.211 109 H GLU 14 HN GLU 14 187.634 -8.492 0.217 110 HA GLU 14 HA GLU 14 187.293 -7.799 -2.398 111 1HB GLU 14 HB2 GLU 14 185.636 -8.064 -0.110 112 2HB GLU 14 HB1 GLU 14 185.180 -6.563 -0.906 113 1HG GLU 14 HG2 GLU 14 185.488 -9.066 -2.505 114 2HG GLU 14 HG1 GLU 14 184.023 -8.789 -1.564 115 H LYS 15 HN LYS 15 188.037 -5.688 0.249 116 HA LYS 15 HA LYS 15 187.277 -3.246 -0.960 117 1HB LYS 15 HB2 LYS 15 189.115 -3.936 1.306 118 2HB LYS 15 HB1 LYS 15 188.857 -2.281 0.777 119 1HG LYS 15 HG2 LYS 15 187.477 -2.998 2.712 120 2HG LYS 15 HG1 LYS 15 186.554 -2.384 1.338 121 1HD LYS 15 HD2 LYS 15 185.937 -4.583 0.687 122 2HD LYS 15 HD1 LYS 15 187.077 -5.289 1.833 123 1HE LYS 15 HE2 LYS 15 185.240 -5.486 3.113 124 2HE LYS 15 HE1 LYS 15 185.626 -3.814 3.512 125 1HZ LYS 15 HZ1 LYS 15 183.478 -3.531 2.920 126 2HZ LYS 15 HZ2 LYS 15 183.446 -4.884 1.904 127 3HZ LYS 15 HZ3 LYS 15 184.136 -3.437 1.363 128 H ARG 16 HN ARG 16 190.611 -4.249 -0.213 129 HA ARG 16 HA ARG 16 191.834 -2.471 -1.963 130 1HB ARG 16 HB2 ARG 16 193.638 -4.502 -1.994 131 2HB ARG 16 HB1 ARG 16 193.506 -3.315 -0.711 132 1HG ARG 16 HG2 ARG 16 191.773 -5.665 -0.403 133 2HG ARG 16 HG1 ARG 16 193.505 -5.990 -0.343 134 1HD ARG 16 HD2 ARG 16 192.389 -5.478 1.869 135 2HD ARG 16 HD1 ARG 16 193.820 -4.534 1.482 136 HE ARG 16 HE ARG 16 191.061 -3.576 1.544 137 1HH1 ARG 16 HH11 ARG 16 194.447 -2.883 1.010 138 2HH1 ARG 16 HH12 ARG 16 194.237 -1.170 1.124 139 1HH2 ARG 16 HH21 ARG 16 190.795 -1.322 1.681 140 2HH2 ARG 16 HH22 ARG 16 192.170 -0.284 1.503 141 H ARG 17 HN ARG 17 190.513 -5.662 -2.551 142 HA ARG 17 HA ARG 17 191.582 -6.035 -5.143 143 1HB ARG 17 HB2 ARG 17 190.489 -7.782 -3.645 144 2HB ARG 17 HB1 ARG 17 188.945 -7.122 -4.167 145 1HG ARG 17 HG2 ARG 17 189.597 -7.606 -6.515 146 2HG ARG 17 HG1 ARG 17 191.045 -8.406 -5.897 147 1HD ARG 17 HD2 ARG 17 189.833 -10.134 -4.935 148 2HD ARG 17 HD1 ARG 17 188.340 -9.198 -4.900 149 HE ARG 17 HE ARG 17 187.908 -9.840 -7.066 150 1HH1 ARG 17 HH11 ARG 17 191.185 -10.710 -6.229 151 2HH1 ARG 17 HH12 ARG 17 191.422 -11.676 -7.646 152 1HH2 ARG 17 HH21 ARG 17 188.221 -11.111 -8.928 153 2HH2 ARG 17 HH22 ARG 17 189.741 -11.903 -9.178 154 H SER 18 HN SER 18 188.352 -4.967 -4.085 155 HA SER 18 HA SER 18 187.280 -4.369 -6.544 156 1HB SER 18 HB2 SER 18 185.780 -4.340 -4.737 157 2HB SER 18 HB1 SER 18 186.793 -3.244 -3.798 158 HG SER 18 HG SER 18 184.922 -2.695 -5.748 159 H GLU 19 HN GLU 19 188.634 -1.978 -4.275 160 HA GLU 19 HA GLU 19 188.684 0.202 -5.958 161 1HB GLU 19 HB2 GLU 19 189.711 -0.472 -3.409 162 2HB GLU 19 HB1 GLU 19 191.019 0.269 -4.317 163 1HG GLU 19 HG2 GLU 19 189.967 2.287 -4.459 164 2HG GLU 19 HG1 GLU 19 188.357 1.577 -4.337 165 H GLY 20 HN GLY 20 191.292 -2.151 -5.399 166 1HA GLY 20 HA2 GLY 20 193.191 -1.043 -7.108 167 2HA GLY 20 HA1 GLY 20 193.092 -2.747 -6.689 168 H GLU 21 HN GLU 21 190.721 -3.499 -7.841 169 HA GLU 21 HA GLU 21 191.432 -3.990 -10.471 170 1HB GLU 21 HB2 GLU 21 189.881 -5.454 -9.546 171 2HB GLU 21 HB1 GLU 21 188.841 -4.155 -8.976 172 1HG GLU 21 HG2 GLU 21 187.777 -3.955 -10.949 173 2HG GLU 21 HG1 GLU 21 189.212 -4.356 -11.890 174 H LYS 22 HN LYS 22 189.950 -1.193 -9.094 175 HA LYS 22 HA LYS 22 189.065 -0.244 -11.706 176 1HB LYS 22 HB2 LYS 22 187.416 0.278 -10.176 177 2HB LYS 22 HB1 LYS 22 188.561 0.585 -8.881 178 1HG LYS 22 HG2 LYS 22 188.610 2.443 -11.183 179 2HG LYS 22 HG1 LYS 22 187.207 2.518 -10.115 180 1HD LYS 22 HD2 LYS 22 189.402 2.374 -8.400 181 2HD LYS 22 HD1 LYS 22 189.909 3.468 -9.689 182 1HE LYS 22 HE2 LYS 22 188.102 4.933 -9.291 183 2HE LYS 22 HE1 LYS 22 187.266 3.750 -8.286 184 1HZ LYS 22 HZ1 LYS 22 188.504 5.661 -7.149 185 2HZ LYS 22 HZ2 LYS 22 189.912 4.793 -7.501 186 3HZ LYS 22 HZ3 LYS 22 188.714 4.100 -6.530 187 H ILE 23 HN ILE 23 191.201 0.733 -9.056 188 HA ILE 23 HA ILE 23 192.288 3.016 -10.262 189 HB ILE 23 HB ILE 23 193.315 1.109 -8.173 190 1HG1 ILE 23 HG12 ILE 23 192.704 4.010 -7.780 191 2HG1 ILE 23 HG11 ILE 23 191.379 2.859 -7.916 192 1HG2 ILE 23 HG21 ILE 23 195.247 2.316 -7.791 193 2HG2 ILE 23 HG22 ILE 23 194.665 3.725 -8.670 194 3HG2 ILE 23 HG23 ILE 23 195.173 2.284 -9.550 195 1HD1 ILE 23 HD11 ILE 23 192.889 3.509 -5.645 196 2HD1 ILE 23 HD12 ILE 23 193.306 1.851 -6.076 197 3HD1 ILE 23 HD13 ILE 23 191.622 2.295 -5.800 198 H ARG 24 HN ARG 24 192.856 -0.361 -10.770 199 HA ARG 24 HA ARG 24 195.366 -0.015 -12.146 200 1HB ARG 24 HB2 ARG 24 193.504 -2.370 -11.811 201 2HB ARG 24 HB1 ARG 24 195.020 -2.453 -12.703 202 1HG ARG 24 HG2 ARG 24 194.779 -1.698 -9.798 203 2HG ARG 24 HG1 ARG 24 195.193 -3.305 -10.393 204 1HD ARG 24 HD2 ARG 24 196.760 -0.823 -11.060 205 2HD ARG 24 HD1 ARG 24 197.137 -1.875 -9.698 206 HE ARG 24 HE ARG 24 197.092 -3.586 -11.783 207 1HH1 ARG 24 HH11 ARG 24 198.720 -0.545 -11.253 208 2HH1 ARG 24 HH12 ARG 24 200.069 -0.948 -12.262 209 1HH2 ARG 24 HH21 ARG 24 198.865 -4.119 -13.110 210 2HH2 ARG 24 HH22 ARG 24 200.151 -2.977 -13.317 211 H LYS 25 HN LYS 25 192.003 -0.682 -12.995 212 HA LYS 25 HA LYS 25 192.465 -0.847 -15.803 213 1HB LYS 25 HB2 LYS 25 189.956 -0.399 -14.189 214 2HB LYS 25 HB1 LYS 25 189.985 -0.745 -15.917 215 1HG LYS 25 HG2 LYS 25 190.935 -2.916 -15.521 216 2HG LYS 25 HG1 LYS 25 191.115 -2.562 -13.799 217 1HD LYS 25 HD2 LYS 25 189.175 -3.934 -14.055 218 2HD LYS 25 HD1 LYS 25 188.621 -2.297 -13.693 219 1HE LYS 25 HE2 LYS 25 188.680 -2.183 -16.378 220 2HE LYS 25 HE1 LYS 25 188.343 -3.900 -16.158 221 1HZ LYS 25 HZ1 LYS 25 186.603 -2.854 -14.454 222 2HZ LYS 25 HZ2 LYS 25 186.235 -3.145 -16.079 223 3HZ LYS 25 HZ3 LYS 25 186.673 -1.590 -15.577 224 H LYS 26 HN LYS 26 191.380 1.664 -13.593 225 HA LYS 26 HA LYS 26 190.846 3.565 -15.649 226 1HB LYS 26 HB2 LYS 26 189.995 3.346 -13.129 227 2HB LYS 26 HB1 LYS 26 191.321 4.473 -12.874 228 1HG LYS 26 HG2 LYS 26 190.360 6.086 -14.279 229 2HG LYS 26 HG1 LYS 26 189.220 4.922 -14.962 230 1HD LYS 26 HD2 LYS 26 187.868 4.947 -13.092 231 2HD LYS 26 HD1 LYS 26 189.167 5.497 -12.032 232 1HE LYS 26 HE2 LYS 26 187.541 7.270 -12.390 233 2HE LYS 26 HE1 LYS 26 189.098 7.700 -13.094 234 1HZ LYS 26 HZ1 LYS 26 187.812 8.212 -14.852 235 2HZ LYS 26 HZ2 LYS 26 186.556 7.174 -14.398 236 3HZ LYS 26 HZ3 LYS 26 187.922 6.555 -15.181 237 H TYR 27 HN TYR 27 193.484 2.861 -13.456 238 HA TYR 27 HA TYR 27 195.121 4.846 -14.892 239 1HB TYR 27 HB2 TYR 27 195.863 4.041 -12.118 240 2HB TYR 27 HB1 TYR 27 196.142 5.564 -12.953 241 HD1 TYR 27 HD1 TYR 27 193.374 6.240 -13.803 242 HD2 TYR 27 HD2 TYR 27 194.838 4.671 -10.133 243 HE1 TYR 27 HE1 TYR 27 191.453 7.224 -12.623 244 HE2 TYR 27 HE2 TYR 27 192.920 5.645 -8.939 245 HH TYR 27 HH TYR 27 190.798 7.906 -10.416 246 HA PRO 28 HA PRO 28 197.099 0.814 -15.699 247 1HB PRO 28 HB2 PRO 28 198.076 2.102 -18.124 248 2HB PRO 28 HB1 PRO 28 197.000 0.715 -17.959 249 1HG PRO 28 HG2 PRO 28 196.156 3.118 -18.883 250 2HG PRO 28 HG1 PRO 28 195.105 2.015 -17.977 251 1HD PRO 28 HD2 PRO 28 196.576 4.444 -17.019 252 2HD PRO 28 HD1 PRO 28 194.915 3.919 -16.663 253 H ASP 29 HN ASP 29 198.341 4.004 -15.369 254 HA ASP 29 HA ASP 29 201.101 2.988 -15.340 255 1HB ASP 29 HB2 ASP 29 199.993 5.769 -15.701 256 2HB ASP 29 HB1 ASP 29 201.700 5.459 -15.400 257 H ARG 30 HN ARG 30 198.718 3.340 -13.195 258 HA ARG 30 HA ARG 30 200.526 4.299 -11.070 259 1HB ARG 30 HB2 ARG 30 197.559 4.635 -11.424 260 2HB ARG 30 HB1 ARG 30 198.303 4.761 -9.837 261 1HG ARG 30 HG2 ARG 30 199.771 6.381 -11.658 262 2HG ARG 30 HG1 ARG 30 198.054 6.745 -11.825 263 1HD ARG 30 HD2 ARG 30 197.895 7.082 -9.408 264 2HD ARG 30 HD1 ARG 30 199.616 6.733 -9.248 265 HE ARG 30 HE ARG 30 200.085 8.848 -10.002 266 1HH1 ARG 30 HH11 ARG 30 196.729 8.129 -10.635 267 2HH1 ARG 30 HH12 ARG 30 196.340 9.750 -11.104 268 1HH2 ARG 30 HH21 ARG 30 199.575 10.981 -10.618 269 2HH2 ARG 30 HH22 ARG 30 197.956 11.369 -11.095 270 H VAL 31 HN VAL 31 200.614 3.145 -9.144 271 HA VAL 31 HA VAL 31 199.210 0.559 -9.163 272 HB VAL 31 HB VAL 31 201.080 -0.464 -7.992 273 1HG1 VAL 31 HG11 VAL 31 200.993 0.218 -10.665 274 2HG1 VAL 31 HG12 VAL 31 202.017 -1.013 -9.926 275 3HG1 VAL 31 HG13 VAL 31 202.641 0.617 -10.178 276 1HG2 VAL 31 HG21 VAL 31 203.219 1.295 -8.384 277 2HG2 VAL 31 HG22 VAL 31 202.506 0.797 -6.848 278 3HG2 VAL 31 HG23 VAL 31 201.941 2.266 -7.652 279 HA PRO 32 HA PRO 32 197.512 2.349 -5.378 280 1HB PRO 32 HB2 PRO 32 196.074 0.098 -4.700 281 2HB PRO 32 HB1 PRO 32 195.495 1.355 -5.798 282 1HG PRO 32 HG2 PRO 32 196.724 -1.292 -6.427 283 2HG PRO 32 HG1 PRO 32 195.372 -0.468 -7.222 284 1HD PRO 32 HD2 PRO 32 197.845 -0.508 -8.283 285 2HD PRO 32 HD1 PRO 32 196.773 0.898 -8.456 286 H VAL 33 HN VAL 33 199.025 2.478 -3.815 287 HA VAL 33 HA VAL 33 200.127 -0.029 -2.747 288 HB VAL 33 HB VAL 33 201.321 2.745 -2.756 289 1HG1 VAL 33 HG11 VAL 33 203.260 1.845 -1.676 290 2HG1 VAL 33 HG12 VAL 33 202.570 0.226 -1.680 291 3HG1 VAL 33 HG13 VAL 33 201.850 1.485 -0.682 292 1HG2 VAL 33 HG21 VAL 33 203.020 1.750 -4.206 293 2HG2 VAL 33 HG22 VAL 33 201.411 1.611 -4.911 294 3HG2 VAL 33 HG23 VAL 33 202.170 0.201 -4.158 295 H ILE 34 HN ILE 34 200.319 -0.346 -0.550 296 HA ILE 34 HA ILE 34 198.855 1.533 1.179 297 HB ILE 34 HB ILE 34 198.947 -1.448 1.669 298 1HG1 ILE 34 HG12 ILE 34 197.732 -1.057 -0.416 299 2HG1 ILE 34 HG11 ILE 34 196.586 -1.441 0.866 300 1HG2 ILE 34 HG21 ILE 34 196.847 -0.656 3.019 301 2HG2 ILE 34 HG22 ILE 34 197.634 0.918 2.931 302 3HG2 ILE 34 HG23 ILE 34 198.467 -0.440 3.687 303 1HD1 ILE 34 HD11 ILE 34 196.064 0.495 -0.749 304 2HD1 ILE 34 HD12 ILE 34 197.229 1.401 0.216 305 3HD1 ILE 34 HD13 ILE 34 195.788 0.724 0.979 306 H VAL 35 HN VAL 35 201.033 2.432 1.414 307 HA VAL 35 HA VAL 35 203.170 1.060 2.593 308 HB VAL 35 HB VAL 35 202.489 3.984 2.904 309 1HG1 VAL 35 HG11 VAL 35 205.057 4.100 3.030 310 2HG1 VAL 35 HG12 VAL 35 204.963 2.384 3.429 311 3HG1 VAL 35 HG13 VAL 35 204.163 3.575 4.458 312 1HG2 VAL 35 HG21 VAL 35 204.049 4.280 0.987 313 2HG2 VAL 35 HG22 VAL 35 202.555 3.440 0.572 314 3HG2 VAL 35 HG23 VAL 35 204.051 2.529 0.781 315 H GLU 36 HN GLU 36 204.000 1.269 4.803 316 HA GLU 36 HA GLU 36 202.071 1.913 6.879 317 1HB GLU 36 HB2 GLU 36 202.311 -0.717 5.948 318 2HB GLU 36 HB1 GLU 36 203.211 -0.688 7.457 319 1HG GLU 36 HG2 GLU 36 200.801 0.721 7.888 320 2HG GLU 36 HG1 GLU 36 200.395 -0.770 7.046 321 H LYS 37 HN LYS 37 203.028 1.916 9.032 322 HA LYS 37 HA LYS 37 205.895 2.493 8.887 323 1HB LYS 37 HB2 LYS 37 204.140 4.128 9.876 324 2HB LYS 37 HB1 LYS 37 204.142 3.055 11.269 325 1HG LYS 37 HG2 LYS 37 206.841 3.611 10.645 326 2HG LYS 37 HG1 LYS 37 205.964 5.142 10.613 327 1HD LYS 37 HD2 LYS 37 206.755 4.798 12.842 328 2HD LYS 37 HD1 LYS 37 205.009 4.546 12.848 329 1HE LYS 37 HE2 LYS 37 205.211 2.249 13.072 330 2HE LYS 37 HE1 LYS 37 206.867 2.240 12.467 331 1HZ LYS 37 HZ1 LYS 37 206.229 2.061 15.047 332 2HZ LYS 37 HZ2 LYS 37 206.435 3.734 14.915 333 3HZ LYS 37 HZ3 LYS 37 207.698 2.692 14.493 334 H ALA 38 HN ALA 38 206.781 0.489 8.966 335 HA ALA 38 HA ALA 38 206.182 -1.771 10.259 336 1HB ALA 38 HB1 ALA 38 208.984 -0.691 10.350 337 2HB ALA 38 HB2 ALA 38 208.218 -1.255 8.856 338 3HB ALA 38 HB3 ALA 38 208.459 -2.373 10.199 339 HA PRO 39 HA PRO 39 205.801 -1.083 14.635 340 1HB PRO 39 HB2 PRO 39 206.914 -3.608 15.297 341 2HB PRO 39 HB1 PRO 39 205.203 -3.196 15.178 342 1HG PRO 39 HG2 PRO 39 206.953 -4.569 13.244 343 2HG PRO 39 HG1 PRO 39 205.200 -4.677 13.454 344 1HD PRO 39 HD2 PRO 39 206.357 -3.385 11.381 345 2HD PRO 39 HD1 PRO 39 204.799 -2.888 12.073 346 H LYS 40 HN LYS 40 207.214 -0.998 16.550 347 HA LYS 40 HA LYS 40 209.138 -0.481 17.632 348 1HB LYS 40 HB2 LYS 40 210.143 -2.372 15.540 349 2HB LYS 40 HB1 LYS 40 211.282 -1.535 16.586 350 1HG LYS 40 HG2 LYS 40 210.988 -3.377 17.852 351 2HG LYS 40 HG1 LYS 40 209.609 -2.453 18.449 352 1HD LYS 40 HD2 LYS 40 208.653 -3.747 16.179 353 2HD LYS 40 HD1 LYS 40 209.668 -4.951 16.975 354 1HE LYS 40 HE2 LYS 40 207.885 -5.369 18.252 355 2HE LYS 40 HE1 LYS 40 208.275 -3.858 19.071 356 1HZ LYS 40 HZ1 LYS 40 206.190 -4.410 17.082 357 2HZ LYS 40 HZ2 LYS 40 206.849 -2.855 17.150 358 3HZ LYS 40 HZ3 LYS 40 206.100 -3.515 18.515 359 H ALA 41 HN ALA 41 209.220 0.070 14.131 360 HA ALA 41 HA ALA 41 211.347 1.618 13.660 361 1HB ALA 41 HB1 ALA 41 210.179 2.695 11.936 362 2HB ALA 41 HB2 ALA 41 208.641 2.585 12.787 363 3HB ALA 41 HB3 ALA 41 209.381 1.129 12.109 364 H ARG 42 HN ARG 42 212.183 3.495 14.293 365 HA ARG 42 HA ARG 42 210.862 4.950 16.433 366 1HB ARG 42 HB2 ARG 42 213.616 5.522 15.366 367 2HB ARG 42 HB1 ARG 42 212.976 5.867 16.966 368 1HG ARG 42 HG2 ARG 42 213.399 3.787 17.734 369 2HG ARG 42 HG1 ARG 42 213.058 3.022 16.181 370 1HD ARG 42 HD2 ARG 42 215.329 2.708 16.354 371 2HD ARG 42 HD1 ARG 42 215.257 4.206 15.433 372 HE ARG 42 HE ARG 42 216.066 3.901 18.222 373 1HH1 ARG 42 HH11 ARG 42 215.481 6.026 15.507 374 2HH1 ARG 42 HH12 ARG 42 216.355 7.347 16.200 375 1HH2 ARG 42 HH21 ARG 42 217.213 5.643 19.125 376 2HH2 ARG 42 HH22 ARG 42 217.338 7.132 18.249 377 H ILE 43 HN ILE 43 209.779 5.172 13.899 378 HA ILE 43 HA ILE 43 210.296 7.994 13.223 379 HB ILE 43 HB ILE 43 209.200 7.219 10.983 380 1HG1 ILE 43 HG12 ILE 43 210.408 4.643 11.999 381 2HG1 ILE 43 HG11 ILE 43 208.683 4.946 11.809 382 1HG2 ILE 43 HG21 ILE 43 211.365 8.117 10.939 383 2HG2 ILE 43 HG22 ILE 43 211.516 6.535 10.172 384 3HG2 ILE 43 HG23 ILE 43 212.035 6.759 11.842 385 1HD1 ILE 43 HD11 ILE 43 210.697 4.235 9.831 386 2HD1 ILE 43 HD12 ILE 43 209.623 5.546 9.339 387 3HD1 ILE 43 HD13 ILE 43 208.949 3.988 9.827 388 H GLY 44 HN GLY 44 208.375 9.039 12.161 389 1HA GLY 44 HA2 GLY 44 206.171 8.971 13.923 390 2HA GLY 44 HA1 GLY 44 206.231 9.832 12.394 391 H ASP 45 HN ASP 45 204.172 8.073 13.807 392 HA ASP 45 HA ASP 45 203.850 5.824 12.043 393 1HB ASP 45 HB2 ASP 45 201.874 6.978 14.018 394 2HB ASP 45 HB1 ASP 45 201.815 5.377 13.286 395 H LEU 46 HN LEU 46 202.719 5.713 10.215 396 HA LEU 46 HA LEU 46 201.461 8.147 9.237 397 1HB LEU 46 HB2 LEU 46 202.634 5.723 8.029 398 2HB LEU 46 HB1 LEU 46 201.253 6.392 7.182 399 HG LEU 46 HG LEU 46 203.879 7.755 7.754 400 1HD1 LEU 46 HD11 LEU 46 202.623 6.453 5.431 401 2HD1 LEU 46 HD12 LEU 46 204.327 6.671 5.835 402 3HD1 LEU 46 HD13 LEU 46 203.418 7.997 5.111 403 1HD2 LEU 46 HD21 LEU 46 201.288 8.928 7.471 404 2HD2 LEU 46 HD22 LEU 46 202.271 9.337 6.067 405 3HD2 LEU 46 HD23 LEU 46 202.849 9.717 7.689 406 H ASP 47 HN ASP 47 199.343 8.375 8.789 407 HA ASP 47 HA ASP 47 197.571 6.165 9.559 408 1HB ASP 47 HB2 ASP 47 197.061 7.969 10.922 409 2HB ASP 47 HB1 ASP 47 197.252 9.143 9.626 410 H LYS 48 HN LYS 48 198.744 7.894 6.915 411 HA LYS 48 HA LYS 48 196.496 7.892 5.198 412 1HB LYS 48 HB2 LYS 48 198.478 9.306 4.844 413 2HB LYS 48 HB1 LYS 48 199.450 7.874 4.543 414 1HG LYS 48 HG2 LYS 48 198.245 7.403 2.530 415 2HG LYS 48 HG1 LYS 48 197.088 8.693 2.869 416 1HD LYS 48 HD2 LYS 48 198.983 10.317 2.769 417 2HD LYS 48 HD1 LYS 48 200.026 8.995 2.245 418 1HE LYS 48 HE2 LYS 48 199.119 8.924 0.169 419 2HE LYS 48 HE1 LYS 48 197.509 9.354 0.742 420 1HZ LYS 48 HZ1 LYS 48 199.663 11.062 -0.177 421 2HZ LYS 48 HZ2 LYS 48 198.836 11.625 1.188 422 3HZ LYS 48 HZ3 LYS 48 197.988 11.299 -0.240 423 H LYS 49 HN LYS 49 199.401 5.836 5.114 424 HA LYS 49 HA LYS 49 199.744 3.679 4.538 425 1HB LYS 49 HB2 LYS 49 196.819 3.581 5.170 426 2HB LYS 49 HB1 LYS 49 197.576 2.189 4.404 427 1HG LYS 49 HG2 LYS 49 199.140 3.134 6.637 428 2HG LYS 49 HG1 LYS 49 197.481 2.763 7.114 429 1HD LYS 49 HD2 LYS 49 198.037 0.636 5.536 430 2HD LYS 49 HD1 LYS 49 199.635 0.977 6.200 431 1HE LYS 49 HE2 LYS 49 197.105 0.297 7.661 432 2HE LYS 49 HE1 LYS 49 198.649 -0.547 7.693 433 1HZ LYS 49 HZ1 LYS 49 198.956 0.588 9.580 434 2HZ LYS 49 HZ2 LYS 49 197.777 1.746 9.215 435 3HZ LYS 49 HZ3 LYS 49 199.335 1.895 8.574 436 H LYS 50 HN LYS 50 196.756 4.778 2.892 437 HA LYS 50 HA LYS 50 197.316 3.321 0.525 438 1HB LYS 50 HB2 LYS 50 195.056 4.214 1.364 439 2HB LYS 50 HB1 LYS 50 195.542 5.747 0.652 440 1HG LYS 50 HG2 LYS 50 194.507 4.964 -1.169 441 2HG LYS 50 HG1 LYS 50 196.000 4.059 -1.414 442 1HD LYS 50 HD2 LYS 50 194.749 2.214 -1.392 443 2HD LYS 50 HD1 LYS 50 194.538 2.486 0.338 444 1HE LYS 50 HE2 LYS 50 192.407 2.148 -0.872 445 2HE LYS 50 HE1 LYS 50 192.505 3.704 -0.048 446 1HZ LYS 50 HZ1 LYS 50 193.400 3.668 -2.812 447 2HZ LYS 50 HZ2 LYS 50 192.491 4.828 -1.983 448 3HZ LYS 50 HZ3 LYS 50 191.741 3.432 -2.575 449 H TYR 51 HN TYR 51 198.184 3.927 -1.403 450 HA TYR 51 HA TYR 51 199.063 6.653 -1.847 451 1HB TYR 51 HB2 TYR 51 200.992 4.367 -1.477 452 2HB TYR 51 HB1 TYR 51 201.417 5.817 -2.381 453 HD1 TYR 51 HD1 TYR 51 201.664 7.963 -1.241 454 HD2 TYR 51 HD2 TYR 51 200.770 4.408 0.901 455 HE1 TYR 51 HE1 TYR 51 202.275 9.088 0.858 456 HE2 TYR 51 HE2 TYR 51 201.374 5.520 3.015 457 HH TYR 51 HH TYR 51 203.090 8.358 3.168 458 H LEU 52 HN LEU 52 198.593 7.099 -3.887 459 HA LEU 52 HA LEU 52 198.454 4.882 -5.806 460 1HB LEU 52 HB2 LEU 52 196.589 6.743 -5.326 461 2HB LEU 52 HB1 LEU 52 197.521 7.615 -6.528 462 HG LEU 52 HG LEU 52 197.163 5.836 -8.153 463 1HD1 LEU 52 HD11 LEU 52 196.595 4.290 -5.854 464 2HD1 LEU 52 HD12 LEU 52 196.658 3.767 -7.537 465 3HD1 LEU 52 HD13 LEU 52 195.134 4.319 -6.842 466 1HD2 LEU 52 HD21 LEU 52 194.415 6.209 -7.131 467 2HD2 LEU 52 HD22 LEU 52 195.091 6.537 -8.726 468 3HD2 LEU 52 HD23 LEU 52 195.357 7.675 -7.406 469 H VAL 53 HN VAL 53 200.812 4.912 -5.784 470 HA VAL 53 HA VAL 53 202.096 7.138 -7.143 471 HB VAL 53 HB VAL 53 204.090 5.353 -6.957 472 1HG1 VAL 53 HG11 VAL 53 203.366 6.744 -4.425 473 2HG1 VAL 53 HG12 VAL 53 203.621 7.708 -5.880 474 3HG1 VAL 53 HG13 VAL 53 204.910 6.671 -5.275 475 1HG2 VAL 53 HG21 VAL 53 202.520 4.710 -4.484 476 2HG2 VAL 53 HG22 VAL 53 203.958 3.920 -5.125 477 3HG2 VAL 53 HG23 VAL 53 202.408 3.714 -5.935 478 HA PRO 54 HA PRO 54 202.081 5.608 -11.260 479 1HB PRO 54 HB2 PRO 54 205.033 5.969 -11.270 480 2HB PRO 54 HB1 PRO 54 203.817 6.618 -12.376 481 1HG PRO 54 HG2 PRO 54 204.974 8.180 -10.552 482 2HG PRO 54 HG1 PRO 54 203.255 8.357 -10.948 483 1HD PRO 54 HD2 PRO 54 204.533 7.092 -8.564 484 2HD PRO 54 HD1 PRO 54 203.039 8.045 -8.672 485 H SER 55 HN SER 55 203.706 4.134 -12.690 486 HA SER 55 HA SER 55 204.167 1.727 -11.057 487 1HB SER 55 HB2 SER 55 203.160 2.083 -13.864 488 2HB SER 55 HB1 SER 55 203.951 0.579 -13.395 489 HG SER 55 HG SER 55 202.205 0.028 -12.385 490 H ASP 56 HN ASP 56 205.717 4.142 -12.786 491 HA ASP 56 HA ASP 56 208.044 2.442 -13.351 492 1HB ASP 56 HB2 ASP 56 206.953 4.033 -15.124 493 2HB ASP 56 HB1 ASP 56 207.807 5.299 -14.245 494 H LEU 57 HN LEU 57 206.765 4.454 -11.058 495 HA LEU 57 HA LEU 57 208.879 6.083 -10.267 496 1HB LEU 57 HB2 LEU 57 206.590 6.302 -9.427 497 2HB LEU 57 HB1 LEU 57 206.761 4.785 -8.563 498 HG LEU 57 HG LEU 57 208.856 6.111 -7.536 499 1HD1 LEU 57 HD11 LEU 57 206.794 8.262 -7.927 500 2HD1 LEU 57 HD12 LEU 57 208.241 8.107 -8.922 501 3HD1 LEU 57 HD13 LEU 57 208.390 8.407 -7.190 502 1HD2 LEU 57 HD21 LEU 57 207.487 5.217 -5.958 503 2HD2 LEU 57 HD22 LEU 57 206.020 5.820 -6.729 504 3HD2 LEU 57 HD23 LEU 57 207.032 6.911 -5.780 505 H THR 58 HN THR 58 210.860 5.489 -9.714 506 HA THR 58 HA THR 58 211.539 2.831 -8.956 507 HB THR 58 HB THR 58 213.740 4.230 -8.260 508 HG1 THR 58 HG1 THR 58 212.658 5.797 -10.338 509 1HG2 THR 58 HG21 THR 58 212.873 2.827 -10.575 510 2HG2 THR 58 HG22 THR 58 214.511 3.060 -9.961 511 3HG2 THR 58 HG23 THR 58 213.809 4.237 -11.072 512 H VAL 59 HN VAL 59 212.151 1.999 -7.007 513 HA VAL 59 HA VAL 59 210.779 2.662 -4.738 514 HB VAL 59 HB VAL 59 213.374 1.218 -5.142 515 1HG1 VAL 59 HG11 VAL 59 212.060 1.870 -2.515 516 2HG1 VAL 59 HG12 VAL 59 213.749 2.076 -2.980 517 3HG1 VAL 59 HG13 VAL 59 213.098 0.458 -2.719 518 1HG2 VAL 59 HG21 VAL 59 212.135 -0.672 -5.085 519 2HG2 VAL 59 HG22 VAL 59 210.858 0.435 -5.587 520 3HG2 VAL 59 HG23 VAL 59 211.005 -0.029 -3.893 521 H GLY 60 HN GLY 60 213.891 3.923 -5.820 522 1HA GLY 60 HA2 GLY 60 214.626 5.277 -3.464 523 2HA GLY 60 HA1 GLY 60 215.146 5.706 -5.090 524 H GLN 61 HN GLN 61 212.446 6.109 -6.067 525 HA GLN 61 HA GLN 61 212.112 8.849 -5.306 526 1HB GLN 61 HB2 GLN 61 210.452 7.059 -7.075 527 2HB GLN 61 HB1 GLN 61 210.224 8.796 -6.898 528 1HG GLN 61 HG2 GLN 61 212.556 9.109 -7.667 529 2HG GLN 61 HG1 GLN 61 212.621 7.382 -8.010 530 1HE2 GLN 61 HE21 GLN 61 210.013 7.060 -8.980 531 2HE2 GLN 61 HE22 GLN 61 209.891 7.854 -10.511 532 H PHE 62 HN PHE 62 210.179 5.889 -4.964 533 HA PHE 62 HA PHE 62 207.965 6.883 -3.656 534 1HB PHE 62 HB2 PHE 62 208.494 4.475 -4.407 535 2HB PHE 62 HB1 PHE 62 209.250 4.291 -2.828 536 HD1 PHE 62 HD1 PHE 62 206.175 6.149 -3.743 537 HD2 PHE 62 HD2 PHE 62 207.856 2.824 -1.694 538 HE1 PHE 62 HE1 PHE 62 203.973 5.642 -2.773 539 HE2 PHE 62 HE2 PHE 62 205.656 2.310 -0.715 540 HZ PHE 62 HZ PHE 62 203.712 3.722 -1.260 541 H TYR 63 HN TYR 63 211.085 5.950 -2.293 542 HA TYR 63 HA TYR 63 210.572 6.181 0.412 543 1HB TYR 63 HB2 TYR 63 212.972 6.552 -1.308 544 2HB TYR 63 HB1 TYR 63 213.068 7.143 0.347 545 HD1 TYR 63 HD1 TYR 63 213.647 4.423 -1.726 546 HD2 TYR 63 HD2 TYR 63 212.213 5.381 2.156 547 HE1 TYR 63 HE1 TYR 63 214.195 2.146 -0.971 548 HE2 TYR 63 HE2 TYR 63 212.755 3.114 2.927 549 HH TYR 63 HH TYR 63 214.749 1.051 1.321 550 H PHE 64 HN PHE 64 212.220 8.657 -1.466 551 HA PHE 64 HA PHE 64 212.178 10.776 0.185 552 1HB PHE 64 HB2 PHE 64 213.247 11.175 -1.827 553 2HB PHE 64 HB1 PHE 64 211.918 10.528 -2.779 554 HD1 PHE 64 HD1 PHE 64 212.905 13.441 -0.698 555 HD2 PHE 64 HD2 PHE 64 210.391 11.944 -3.790 556 HE1 PHE 64 HE1 PHE 64 212.136 15.730 -1.174 557 HE2 PHE 64 HE2 PHE 64 209.617 14.231 -4.271 558 HZ PHE 64 HZ PHE 64 210.490 16.127 -2.963 559 H LEU 65 HN LEU 65 209.389 9.672 -1.710 560 HA LEU 65 HA LEU 65 207.750 11.878 -1.020 561 1HB LEU 65 HB2 LEU 65 206.356 10.999 -2.504 562 2HB LEU 65 HB1 LEU 65 207.596 9.797 -2.803 563 HG LEU 65 HG LEU 65 206.520 8.434 -0.975 564 1HD1 LEU 65 HD11 LEU 65 203.923 9.677 -1.447 565 2HD1 LEU 65 HD12 LEU 65 205.043 10.725 -0.574 566 3HD1 LEU 65 HD13 LEU 65 204.655 9.125 0.061 567 1HD2 LEU 65 HD21 LEU 65 206.324 8.049 -3.441 568 2HD2 LEU 65 HD22 LEU 65 204.813 8.957 -3.401 569 3HD2 LEU 65 HD23 LEU 65 204.960 7.453 -2.496 570 H ILE 66 HN ILE 66 208.132 8.625 0.314 571 HA ILE 66 HA ILE 66 206.136 8.953 2.317 572 HB ILE 66 HB ILE 66 208.432 7.005 2.100 573 1HG1 ILE 66 HG12 ILE 66 206.818 6.730 0.320 574 2HG1 ILE 66 HG11 ILE 66 206.639 5.405 1.466 575 1HG2 ILE 66 HG21 ILE 66 206.661 5.763 3.714 576 2HG2 ILE 66 HG22 ILE 66 206.447 7.436 4.230 577 3HG2 ILE 66 HG23 ILE 66 208.044 6.691 4.296 578 1HD1 ILE 66 HD11 ILE 66 204.910 7.674 2.052 579 2HD1 ILE 66 HD12 ILE 66 204.535 5.957 1.930 580 3HD1 ILE 66 HD13 ILE 66 204.618 6.946 0.473 581 H ARG 67 HN ARG 67 209.622 9.408 2.180 582 HA ARG 67 HA ARG 67 210.345 9.659 4.792 583 1HB ARG 67 HB2 ARG 67 211.403 10.448 2.279 584 2HB ARG 67 HB1 ARG 67 211.545 11.833 3.353 585 1HG ARG 67 HG2 ARG 67 213.235 10.910 4.456 586 2HG ARG 67 HG1 ARG 67 212.360 9.391 4.670 587 1HD ARG 67 HD2 ARG 67 213.162 8.514 2.671 588 2HD ARG 67 HD1 ARG 67 213.608 10.102 2.046 589 HE ARG 67 HE ARG 67 215.216 9.850 4.186 590 1HH1 ARG 67 HH11 ARG 67 214.549 7.728 1.497 591 2HH1 ARG 67 HH12 ARG 67 216.118 6.997 1.522 592 1HH2 ARG 67 HH21 ARG 67 217.280 8.888 4.221 593 2HH2 ARG 67 HH22 ARG 67 217.669 7.655 3.069 594 H LYS 68 HN LYS 68 208.933 12.284 2.812 595 HA LYS 68 HA LYS 68 208.910 14.191 4.903 596 1HB LYS 68 HB2 LYS 68 207.088 14.054 2.500 597 2HB LYS 68 HB1 LYS 68 207.415 15.472 3.488 598 1HG LYS 68 HG2 LYS 68 209.557 15.726 2.642 599 2HG LYS 68 HG1 LYS 68 209.637 14.053 2.082 600 1HD LYS 68 HD2 LYS 68 207.458 15.558 0.874 601 2HD LYS 68 HD1 LYS 68 209.048 16.248 0.529 602 1HE LYS 68 HE2 LYS 68 209.824 14.167 -0.369 603 2HE LYS 68 HE1 LYS 68 208.364 13.345 0.171 604 1HZ LYS 68 HZ1 LYS 68 208.506 15.449 -1.919 605 2HZ LYS 68 HZ2 LYS 68 207.080 14.725 -1.369 606 3HZ LYS 68 HZ3 LYS 68 208.239 13.798 -2.179 607 H ARG 69 HN ARG 69 206.461 11.919 3.710 608 HA ARG 69 HA ARG 69 204.303 12.695 5.260 609 1HB ARG 69 HB2 ARG 69 205.071 9.847 4.599 610 2HB ARG 69 HB1 ARG 69 203.464 10.427 5.009 611 1HG ARG 69 HG2 ARG 69 204.600 11.860 2.759 612 2HG ARG 69 HG1 ARG 69 204.504 10.121 2.473 613 1HD ARG 69 HD2 ARG 69 202.222 10.085 2.603 614 2HD ARG 69 HD1 ARG 69 202.148 11.500 3.653 615 HE ARG 69 HE ARG 69 202.135 11.466 0.779 616 1HH1 ARG 69 HH11 ARG 69 202.850 13.374 3.612 617 2HH1 ARG 69 HH12 ARG 69 202.662 14.887 2.793 618 1HH2 ARG 69 HH21 ARG 69 201.886 13.456 -0.300 619 2HH2 ARG 69 HH22 ARG 69 202.114 14.934 0.572 620 H ILE 70 HN ILE 70 207.257 11.228 6.237 621 HA ILE 70 HA ILE 70 206.182 10.697 8.925 622 HB ILE 70 HB ILE 70 208.766 9.616 8.819 623 1HG1 ILE 70 HG12 ILE 70 207.268 8.503 6.470 624 2HG1 ILE 70 HG11 ILE 70 208.358 9.869 6.264 625 1HG2 ILE 70 HG21 ILE 70 206.323 8.878 9.693 626 2HG2 ILE 70 HG22 ILE 70 207.722 7.806 9.635 627 3HG2 ILE 70 HG23 ILE 70 206.532 7.773 8.335 628 1HD1 ILE 70 HD11 ILE 70 209.135 7.346 5.995 629 2HD1 ILE 70 HD12 ILE 70 209.428 7.547 7.724 630 3HD1 ILE 70 HD13 ILE 70 210.203 8.629 6.563 631 H HIS 71 HN HIS 71 207.868 12.955 7.227 632 HA HIS 71 HA HIS 71 208.958 14.832 7.858 633 1HB HIS 71 HB2 HIS 71 209.036 13.809 10.699 634 2HB HIS 71 HB1 HIS 71 209.166 15.475 10.149 635 HD1 HIS 71 HD1 HIS 71 207.148 15.363 12.151 636 HD2 HIS 71 HD2 HIS 71 206.251 14.153 8.278 637 HE1 HIS 71 HE1 HIS 71 204.644 15.497 11.967 638 HE2 HIS 71 HE2 HIS 71 204.119 14.706 9.633 639 H LEU 72 HN LEU 72 210.312 13.017 6.668 640 HA LEU 72 HA LEU 72 212.905 12.917 8.059 641 1HB LEU 72 HB2 LEU 72 211.783 10.912 6.116 642 2HB LEU 72 HB1 LEU 72 213.370 10.830 6.860 643 HG LEU 72 HG LEU 72 210.676 10.389 8.114 644 1HD1 LEU 72 HD11 LEU 72 211.458 8.263 8.608 645 2HD1 LEU 72 HD12 LEU 72 213.149 8.739 8.446 646 3HD1 LEU 72 HD13 LEU 72 212.137 8.578 7.012 647 1HD2 LEU 72 HD21 LEU 72 212.429 10.091 10.182 648 2HD2 LEU 72 HD22 LEU 72 211.394 11.496 9.926 649 3HD2 LEU 72 HD23 LEU 72 213.066 11.520 9.370 650 H ARG 73 HN ARG 73 214.005 14.546 7.160 651 HA ARG 73 HA ARG 73 213.644 15.381 4.454 652 1HB ARG 73 HB2 ARG 73 215.663 16.846 5.002 653 2HB ARG 73 HB1 ARG 73 214.190 17.104 5.923 654 1HG ARG 73 HG2 ARG 73 216.450 17.061 7.147 655 2HG ARG 73 HG1 ARG 73 215.081 16.209 7.853 656 1HD ARG 73 HD2 ARG 73 215.944 14.112 6.860 657 2HD ARG 73 HD1 ARG 73 217.340 15.008 6.269 658 HE ARG 73 HE ARG 73 216.933 14.032 8.909 659 1HH1 ARG 73 HH11 ARG 73 218.380 16.643 7.101 660 2HH1 ARG 73 HH12 ARG 73 219.553 17.005 8.322 661 1HH2 ARG 73 HH21 ARG 73 218.477 14.505 10.515 662 2HH2 ARG 73 HH22 ARG 73 219.609 15.790 10.259 663 H ALA 74 HN ALA 74 214.357 12.752 4.189 664 HA ALA 74 HA ALA 74 215.727 11.472 2.888 665 1HB ALA 74 HB1 ALA 74 216.019 13.781 1.719 666 2HB ALA 74 HB2 ALA 74 217.125 12.458 1.348 667 3HB ALA 74 HB3 ALA 74 217.620 13.736 2.458 668 H GLU 75 HN GLU 75 217.726 13.753 4.839 669 HA GLU 75 HA GLU 75 219.856 11.958 5.187 670 1HB GLU 75 HB2 GLU 75 218.947 14.393 6.650 671 2HB GLU 75 HB1 GLU 75 220.225 13.404 7.330 672 1HG GLU 75 HG2 GLU 75 220.592 14.057 4.508 673 2HG GLU 75 HG1 GLU 75 220.581 15.454 5.583 674 H ASP 76 HN ASP 76 216.780 12.214 6.755 675 HA ASP 76 HA ASP 76 217.415 10.701 9.080 676 1HB ASP 76 HB2 ASP 76 214.934 11.657 7.755 677 2HB ASP 76 HB1 ASP 76 214.776 10.289 8.853 678 H ALA 77 HN ALA 77 216.738 8.533 9.545 679 HA ALA 77 HA ALA 77 217.320 6.755 7.367 680 1HB ALA 77 HB1 ALA 77 217.220 4.986 9.053 681 2HB ALA 77 HB2 ALA 77 216.655 6.158 10.244 682 3HB ALA 77 HB3 ALA 77 218.270 6.313 9.552 683 H LEU 78 HN LEU 78 216.017 5.359 6.378 684 HA LEU 78 HA LEU 78 213.378 4.720 7.231 685 1HB LEU 78 HB2 LEU 78 212.965 6.982 6.395 686 2HB LEU 78 HB1 LEU 78 213.677 6.550 4.852 687 HG LEU 78 HG LEU 78 211.850 4.817 4.618 688 1HD1 LEU 78 HD11 LEU 78 210.944 6.208 7.107 689 2HD1 LEU 78 HD12 LEU 78 211.021 4.481 6.756 690 3HD1 LEU 78 HD13 LEU 78 209.780 5.480 6.000 691 1HD2 LEU 78 HD21 LEU 78 210.820 7.636 4.835 692 2HD2 LEU 78 HD22 LEU 78 210.294 6.364 3.732 693 3HD2 LEU 78 HD23 LEU 78 211.887 7.097 3.539 694 H PHE 79 HN PHE 79 213.152 2.684 6.615 695 HA PHE 79 HA PHE 79 214.178 1.885 3.971 696 1HB PHE 79 HB2 PHE 79 214.210 0.169 6.464 697 2HB PHE 79 HB1 PHE 79 214.812 -0.285 4.875 698 HD1 PHE 79 HD1 PHE 79 216.998 0.233 4.216 699 HD2 PHE 79 HD2 PHE 79 215.367 2.008 7.723 700 HE1 PHE 79 HE1 PHE 79 219.229 1.078 4.822 701 HE2 PHE 79 HE2 PHE 79 217.594 2.857 8.335 702 HZ PHE 79 HZ PHE 79 219.528 2.394 6.883 703 H PHE 80 HN PHE 80 212.739 0.871 2.702 704 HA PHE 80 HA PHE 80 210.064 0.495 3.702 705 1HB PHE 80 HB2 PHE 80 211.317 0.240 0.978 706 2HB PHE 80 HB1 PHE 80 209.662 -0.275 1.279 707 HD1 PHE 80 HD1 PHE 80 209.088 1.996 3.324 708 HD2 PHE 80 HD2 PHE 80 210.746 1.933 -0.597 709 HE1 PHE 80 HE1 PHE 80 208.316 4.302 2.966 710 HE2 PHE 80 HE2 PHE 80 209.974 4.238 -0.961 711 HZ PHE 80 HZ PHE 80 208.757 5.425 0.821 712 H PHE 81 HN PHE 81 208.931 -1.427 3.832 713 HA PHE 81 HA PHE 81 210.456 -3.893 3.428 714 1HB PHE 81 HB2 PHE 81 208.914 -3.178 5.928 715 2HB PHE 81 HB1 PHE 81 209.573 -4.775 5.581 716 HD1 PHE 81 HD1 PHE 81 210.325 -1.367 6.596 717 HD2 PHE 81 HD2 PHE 81 211.982 -5.153 5.586 718 HE1 PHE 81 HE1 PHE 81 212.485 -0.678 7.564 719 HE2 PHE 81 HE2 PHE 81 214.140 -4.476 6.557 720 HZ PHE 81 HZ PHE 81 214.399 -2.233 7.540 721 H VAL 82 HN VAL 82 209.287 -4.499 1.657 722 HA VAL 82 HA VAL 82 206.380 -4.623 1.832 723 HB VAL 82 HB VAL 82 207.931 -5.585 -0.515 724 1HG1 VAL 82 HG11 VAL 82 205.166 -4.763 0.074 725 2HG1 VAL 82 HG12 VAL 82 205.771 -6.013 -1.013 726 3HG1 VAL 82 HG13 VAL 82 205.796 -4.323 -1.514 727 1HG2 VAL 82 HG21 VAL 82 207.177 -2.704 -0.110 728 2HG2 VAL 82 HG22 VAL 82 208.060 -3.401 -1.467 729 3HG2 VAL 82 HG23 VAL 82 208.806 -3.335 0.128 730 H ASN 83 HN ASN 83 205.588 -6.342 2.856 731 HA ASN 83 HA ASN 83 205.164 -8.512 3.409 732 1HB ASN 83 HB2 ASN 83 206.986 -9.314 1.131 733 2HB ASN 83 HB1 ASN 83 205.699 -10.268 1.865 734 1HD2 ASN 83 HD21 ASN 83 205.460 -10.218 -0.677 735 2HD2 ASN 83 HD22 ASN 83 204.285 -9.086 -1.242 736 H ASN 84 HN ASN 84 207.419 -6.965 4.423 737 HA ASN 84 HA ASN 84 208.957 -7.295 6.071 738 1HB ASN 84 HB2 ASN 84 207.678 -9.656 6.181 739 2HB ASN 84 HB1 ASN 84 209.251 -10.215 5.620 740 1HD2 ASN 84 HD21 ASN 84 207.417 -9.165 8.265 741 2HD2 ASN 84 HD22 ASN 84 208.680 -9.151 9.444 742 H VAL 85 HN VAL 85 209.488 -7.021 3.117 743 HA VAL 85 HA VAL 85 212.315 -7.821 3.229 744 HB VAL 85 HB VAL 85 210.751 -7.854 0.677 745 1HG1 VAL 85 HG11 VAL 85 213.491 -8.558 1.526 746 2HG1 VAL 85 HG12 VAL 85 212.915 -7.872 0.007 747 3HG1 VAL 85 HG13 VAL 85 212.741 -9.600 0.317 748 1HG2 VAL 85 HG21 VAL 85 211.345 -10.273 2.370 749 2HG2 VAL 85 HG22 VAL 85 210.446 -10.223 0.853 750 3HG2 VAL 85 HG23 VAL 85 209.773 -9.475 2.302 751 H ILE 86 HN ILE 86 213.759 -6.425 2.224 752 HA ILE 86 HA ILE 86 212.780 -3.710 1.875 753 HB ILE 86 HB ILE 86 215.609 -4.752 1.914 754 1HG1 ILE 86 HG12 ILE 86 213.712 -3.834 4.021 755 2HG1 ILE 86 HG11 ILE 86 214.929 -5.103 4.083 756 1HG2 ILE 86 HG21 ILE 86 214.933 -1.908 2.453 757 2HG2 ILE 86 HG22 ILE 86 214.907 -2.454 0.777 758 3HG2 ILE 86 HG23 ILE 86 216.381 -2.609 1.731 759 1HD1 ILE 86 HD11 ILE 86 215.454 -2.146 4.178 760 2HD1 ILE 86 HD12 ILE 86 216.676 -3.416 4.249 761 3HD1 ILE 86 HD13 ILE 86 215.493 -3.256 5.546 762 HA PRO 87 HA PRO 87 212.818 -4.524 -2.576 763 1HB PRO 87 HB2 PRO 87 211.682 -2.158 -3.288 764 2HB PRO 87 HB1 PRO 87 210.747 -3.533 -2.691 765 1HG PRO 87 HG2 PRO 87 211.688 -1.101 -1.221 766 2HG PRO 87 HG1 PRO 87 210.110 -1.908 -1.154 767 1HD PRO 87 HD2 PRO 87 211.999 -2.267 0.745 768 2HD PRO 87 HD1 PRO 87 210.870 -3.553 0.273 769 HA PRO 88 HA PRO 88 216.528 -2.352 -3.649 770 1HB PRO 88 HB2 PRO 88 215.868 -2.757 -6.471 771 2HB PRO 88 HB1 PRO 88 217.165 -3.477 -5.515 772 1HG PRO 88 HG2 PRO 88 215.052 -4.912 -6.390 773 2HG PRO 88 HG1 PRO 88 215.867 -5.261 -4.855 774 1HD PRO 88 HD2 PRO 88 213.311 -3.777 -5.347 775 2HD PRO 88 HD1 PRO 88 213.693 -4.985 -4.102 776 H THR 89 HN THR 89 217.006 -0.259 -3.921 777 HA THR 89 HA THR 89 215.068 1.687 -4.416 778 HB THR 89 HB THR 89 217.156 3.172 -4.840 779 HG1 THR 89 HG1 THR 89 218.460 1.229 -5.284 780 1HG2 THR 89 HG21 THR 89 217.234 1.766 -2.205 781 2HG2 THR 89 HG22 THR 89 215.892 2.826 -2.637 782 3HG2 THR 89 HG23 THR 89 217.536 3.464 -2.575 783 H SER 90 HN SER 90 216.926 -0.209 -6.606 784 HA SER 90 HA SER 90 216.658 1.589 -8.841 785 1HB SER 90 HB2 SER 90 218.578 0.034 -8.642 786 2HB SER 90 HB1 SER 90 217.469 -1.328 -8.804 787 HG SER 90 HG SER 90 218.631 -0.377 -10.761 788 H ALA 91 HN ALA 91 215.013 -1.283 -7.628 789 HA ALA 91 HA ALA 91 213.439 -1.869 -9.857 790 1HB ALA 91 HB1 ALA 91 211.939 -3.020 -8.312 791 2HB ALA 91 HB2 ALA 91 212.723 -2.222 -6.947 792 3HB ALA 91 HB3 ALA 91 213.628 -3.367 -7.938 793 H THR 92 HN THR 92 211.259 -1.386 -10.349 794 HA THR 92 HA THR 92 210.472 1.308 -9.504 795 HB THR 92 HB THR 92 209.029 1.305 -11.496 796 HG1 THR 92 HG1 THR 92 208.812 -0.429 -12.744 797 1HG2 THR 92 HG21 THR 92 211.091 2.176 -12.071 798 2HG2 THR 92 HG22 THR 92 210.850 0.898 -13.262 799 3HG2 THR 92 HG23 THR 92 211.912 0.627 -11.880 800 H MET 93 HN MET 93 208.385 1.761 -8.766 801 HA MET 93 HA MET 93 207.218 -0.011 -7.015 802 1HB MET 93 HB2 MET 93 205.930 2.278 -8.509 803 2HB MET 93 HB1 MET 93 205.176 1.438 -7.160 804 1HG MET 93 HG2 MET 93 207.865 2.396 -6.586 805 2HG MET 93 HG1 MET 93 206.724 3.672 -6.999 806 1HE MET 93 HE1 MET 93 205.898 0.609 -3.690 807 2HE MET 93 HE2 MET 93 206.622 0.291 -5.265 808 3HE MET 93 HE3 MET 93 204.887 0.585 -5.135 809 H GLY 94 HN GLY 94 206.538 0.455 -10.439 810 1HA GLY 94 HA2 GLY 94 204.220 -1.130 -10.606 811 2HA GLY 94 HA1 GLY 94 205.331 -0.809 -11.931 812 H GLN 95 HN GLN 95 207.648 -1.969 -10.833 813 HA GLN 95 HA GLN 95 207.280 -4.663 -11.560 814 1HB GLN 95 HB2 GLN 95 209.550 -3.280 -10.119 815 2HB GLN 95 HB1 GLN 95 209.607 -4.961 -10.632 816 1HG GLN 95 HG2 GLN 95 208.825 -3.211 -12.797 817 2HG GLN 95 HG1 GLN 95 210.375 -2.744 -12.100 818 1HE2 GLN 95 HE21 GLN 95 212.082 -3.699 -12.930 819 2HE2 GLN 95 HE22 GLN 95 212.108 -5.229 -13.733 820 H LEU 96 HN LEU 96 207.525 -3.034 -8.441 821 HA LEU 96 HA LEU 96 207.501 -5.373 -6.854 822 1HB LEU 96 HB2 LEU 96 206.471 -2.624 -6.140 823 2HB LEU 96 HB1 LEU 96 206.852 -3.907 -5.008 824 HG LEU 96 HG LEU 96 208.777 -2.319 -6.695 825 1HD1 LEU 96 HD11 LEU 96 207.975 -1.294 -4.601 826 2HD1 LEU 96 HD12 LEU 96 209.700 -1.656 -4.563 827 3HD1 LEU 96 HD13 LEU 96 208.560 -2.700 -3.712 828 1HD2 LEU 96 HD21 LEU 96 209.528 -4.573 -4.851 829 2HD2 LEU 96 HD22 LEU 96 210.551 -3.707 -6.000 830 3HD2 LEU 96 HD23 LEU 96 209.301 -4.805 -6.585 831 H TYR 97 HN TYR 97 204.934 -3.155 -7.891 832 HA TYR 97 HA TYR 97 202.792 -4.457 -6.670 833 1HB TYR 97 HB2 TYR 97 202.511 -2.251 -7.622 834 2HB TYR 97 HB1 TYR 97 202.844 -2.874 -9.238 835 HD1 TYR 97 HD1 TYR 97 200.331 -2.305 -6.736 836 HD2 TYR 97 HD2 TYR 97 201.228 -4.538 -10.249 837 HE1 TYR 97 HE1 TYR 97 197.934 -2.765 -7.051 838 HE2 TYR 97 HE2 TYR 97 198.833 -4.997 -10.575 839 HH TYR 97 HH TYR 97 196.380 -3.420 -8.702 840 H GLN 98 HN GLN 98 204.482 -5.143 -9.657 841 HA GLN 98 HA GLN 98 202.532 -7.037 -10.563 842 1HB GLN 98 HB2 GLN 98 205.378 -6.552 -11.437 843 2HB GLN 98 HB1 GLN 98 204.249 -7.631 -12.244 844 1HG GLN 98 HG2 GLN 98 202.944 -5.156 -12.012 845 2HG GLN 98 HG1 GLN 98 204.589 -4.811 -12.546 846 1HE2 GLN 98 HE21 GLN 98 205.094 -5.119 -14.614 847 2HE2 GLN 98 HE22 GLN 98 204.076 -5.875 -15.787 848 H GLU 99 HN GLU 99 205.309 -7.124 -8.483 849 HA GLU 99 HA GLU 99 205.097 -10.061 -8.355 850 1HB GLU 99 HB2 GLU 99 207.494 -8.265 -8.165 851 2HB GLU 99 HB1 GLU 99 207.525 -9.924 -7.581 852 1HG GLU 99 HG2 GLU 99 206.524 -10.274 -10.068 853 2HG GLU 99 HG1 GLU 99 207.571 -8.878 -10.317 854 H HIS 100 HN HIS 100 203.796 -7.849 -6.669 855 HA HIS 100 HA HIS 100 204.457 -9.103 -4.133 856 1HB HIS 100 HB2 HIS 100 204.654 -6.133 -4.570 857 2HB HIS 100 HB1 HIS 100 204.558 -6.876 -2.978 858 HD1 HIS 100 HD1 HIS 100 206.721 -7.491 -1.941 859 HD2 HIS 100 HD2 HIS 100 207.046 -7.070 -6.064 860 HE1 HIS 100 HE1 HIS 100 209.169 -7.754 -2.454 861 HE2 HIS 100 HE2 HIS 100 209.328 -7.586 -4.962 862 H HIS 101 HN HIS 101 202.308 -7.122 -6.000 863 HA HIS 101 HA HIS 101 200.323 -6.518 -4.209 864 1HB HIS 101 HB2 HIS 101 198.800 -6.381 -6.037 865 2HB HIS 101 HB1 HIS 101 200.379 -5.913 -6.659 866 HD1 HIS 101 HD1 HIS 101 201.685 -8.267 -7.680 867 HD2 HIS 101 HD2 HIS 101 197.537 -8.018 -7.756 868 HE1 HIS 101 HE1 HIS 101 200.944 -9.923 -9.420 869 HE2 HIS 101 HE2 HIS 101 198.435 -9.699 -9.504 870 H GLU 102 HN GLU 102 199.418 -7.765 -2.742 871 HA GLU 102 HA GLU 102 199.357 -10.589 -2.901 872 1HB GLU 102 HB2 GLU 102 198.079 -8.619 -1.013 873 2HB GLU 102 HB1 GLU 102 197.931 -10.361 -0.815 874 1HG GLU 102 HG2 GLU 102 200.639 -9.146 -1.095 875 2HG GLU 102 HG1 GLU 102 199.785 -9.029 0.445 876 H GLU 103 HN GLU 103 198.232 -10.345 -5.128 877 HA GLU 103 HA GLU 103 196.382 -10.503 -6.471 878 1HB GLU 103 HB2 GLU 103 196.700 -12.745 -5.419 879 2HB GLU 103 HB1 GLU 103 195.481 -12.309 -4.228 880 1HG GLU 103 HG2 GLU 103 193.761 -12.431 -5.735 881 2HG GLU 103 HG1 GLU 103 194.806 -12.110 -7.119 882 H ASP 104 HN ASP 104 196.158 -8.300 -4.514 883 HA ASP 104 HA ASP 104 193.214 -8.181 -4.350 884 1HB ASP 104 HB2 ASP 104 193.747 -6.396 -2.527 885 2HB ASP 104 HB1 ASP 104 193.854 -8.103 -2.111 886 H PHE 105 HN PHE 105 195.282 -7.344 -6.443 887 HA PHE 105 HA PHE 105 195.628 -5.636 -7.901 888 1HB PHE 105 HB2 PHE 105 192.941 -4.741 -6.839 889 2HB PHE 105 HB1 PHE 105 193.715 -4.109 -8.287 890 HD1 PHE 105 HD1 PHE 105 192.651 -7.353 -6.793 891 HD2 PHE 105 HD2 PHE 105 193.168 -5.029 -10.321 892 HE1 PHE 105 HE1 PHE 105 191.627 -9.150 -8.123 893 HE2 PHE 105 HE2 PHE 105 192.144 -6.822 -11.656 894 HZ PHE 105 HZ PHE 105 191.371 -8.886 -10.558 895 H PHE 106 HN PHE 106 196.260 -5.355 -4.903 896 HA PHE 106 HA PHE 106 196.754 -2.458 -4.922 897 1HB PHE 106 HB2 PHE 106 195.623 -4.221 -2.851 898 2HB PHE 106 HB1 PHE 106 196.885 -3.137 -2.274 899 HD1 PHE 106 HD1 PHE 106 194.537 -2.354 -5.005 900 HD2 PHE 106 HD2 PHE 106 195.531 -1.752 -0.912 901 HE1 PHE 106 HE1 PHE 106 192.899 -0.514 -4.878 902 HE2 PHE 106 HE2 PHE 106 193.897 0.083 -0.779 903 HZ PHE 106 HZ PHE 106 192.578 0.701 -2.762 904 H LEU 107 HN LEU 107 198.486 -2.238 -2.861 905 HA LEU 107 HA LEU 107 200.583 -4.189 -2.995 906 1HB LEU 107 HB2 LEU 107 200.868 -2.969 -5.112 907 2HB LEU 107 HB1 LEU 107 201.038 -1.468 -4.220 908 HG LEU 107 HG LEU 107 203.217 -2.130 -4.896 909 1HD1 LEU 107 HD11 LEU 107 204.415 -2.420 -2.847 910 2HD1 LEU 107 HD12 LEU 107 202.968 -2.990 -2.025 911 3HD1 LEU 107 HD13 LEU 107 203.065 -1.321 -2.585 912 1HD2 LEU 107 HD21 LEU 107 203.372 -4.697 -3.507 913 2HD2 LEU 107 HD22 LEU 107 203.921 -4.242 -5.120 914 3HD2 LEU 107 HD23 LEU 107 202.237 -4.695 -4.856 915 H TYR 108 HN TYR 108 200.245 -4.165 -0.750 916 HA TYR 108 HA TYR 108 200.623 -1.694 0.704 917 1HB TYR 108 HB2 TYR 108 199.773 -2.770 2.561 918 2HB TYR 108 HB1 TYR 108 198.974 -3.623 1.248 919 HD1 TYR 108 HD1 TYR 108 200.921 -5.575 0.370 920 HD2 TYR 108 HD2 TYR 108 200.042 -4.159 4.257 921 HE1 TYR 108 HE1 TYR 108 201.732 -7.706 1.301 922 HE2 TYR 108 HE2 TYR 108 200.858 -6.283 5.234 923 HH TYR 108 HH TYR 108 202.737 -8.413 3.663 924 H ILE 109 HN ILE 109 202.331 -0.986 1.654 925 HA ILE 109 HA ILE 109 204.736 -2.686 1.832 926 HB ILE 109 HB ILE 109 204.520 0.203 0.997 927 1HG1 ILE 109 HG12 ILE 109 204.871 -2.370 -0.485 928 2HG1 ILE 109 HG11 ILE 109 203.800 -1.021 -0.827 929 1HG2 ILE 109 HG21 ILE 109 206.575 0.014 2.142 930 2HG2 ILE 109 HG22 ILE 109 206.979 -0.112 0.432 931 3HG2 ILE 109 HG23 ILE 109 206.918 -1.563 1.432 932 1HD1 ILE 109 HD11 ILE 109 206.647 -1.411 -1.531 933 2HD1 ILE 109 HD12 ILE 109 206.072 0.231 -1.248 934 3HD1 ILE 109 HD13 ILE 109 205.318 -0.766 -2.494 935 H ALA 110 HN ALA 110 206.415 -1.666 3.318 936 HA ALA 110 HA ALA 110 205.226 -0.122 5.519 937 1HB ALA 110 HB1 ALA 110 205.179 -2.303 6.404 938 2HB ALA 110 HB2 ALA 110 206.624 -1.553 7.083 939 3HB ALA 110 HB3 ALA 110 206.768 -2.689 5.743 940 H TYR 111 HN TYR 111 206.851 0.888 6.902 941 HA TYR 111 HA TYR 111 209.500 1.196 5.711 942 1HB TYR 111 HB2 TYR 111 209.386 3.592 5.596 943 2HB TYR 111 HB1 TYR 111 208.009 2.945 4.708 944 HD1 TYR 111 HD1 TYR 111 205.791 3.437 5.377 945 HD2 TYR 111 HD2 TYR 111 209.041 4.553 7.848 946 HE1 TYR 111 HE1 TYR 111 204.259 4.779 6.748 947 HE2 TYR 111 HE2 TYR 111 207.537 5.900 9.251 948 HH TYR 111 HH TYR 111 205.436 6.637 9.541 949 H SER 112 HN SER 112 211.026 1.235 7.231 950 HA SER 112 HA SER 112 210.291 2.022 9.983 951 1HB SER 112 HB2 SER 112 210.678 -0.548 9.349 952 2HB SER 112 HB1 SER 112 212.361 -0.082 9.594 953 HG SER 112 HG SER 112 212.003 0.169 11.670 954 H ASP 113 HN ASP 113 212.303 2.410 11.330 955 HA ASP 113 HA ASP 113 214.077 4.137 9.790 956 1HB ASP 113 HB2 ASP 113 212.927 4.973 11.852 957 2HB ASP 113 HB1 ASP 113 213.877 3.824 12.793 958 H GLU 114 HN GLU 114 214.181 1.076 10.034 959 HA GLU 114 HA GLU 114 217.077 0.928 10.438 960 1HB GLU 114 HB2 GLU 114 215.002 -0.782 11.791 961 2HB GLU 114 HB1 GLU 114 216.635 -1.373 11.520 962 1HG GLU 114 HG2 GLU 114 216.567 1.266 12.743 963 2HG GLU 114 HG1 GLU 114 215.766 0.027 13.710 964 H SER 115 HN SER 115 217.854 -1.336 9.660 965 HA SER 115 HA SER 115 216.784 -1.665 6.990 966 1HB SER 115 HB2 SER 115 218.715 -3.210 6.665 967 2HB SER 115 HB1 SER 115 219.193 -1.604 7.221 968 HG SER 115 HG SER 115 219.580 -4.004 8.396 969 H VAL 116 HN VAL 116 215.732 -2.853 9.781 970 HA VAL 116 HA VAL 116 215.004 -5.450 8.600 971 HB VAL 116 HB VAL 116 214.507 -5.453 11.422 972 1HG1 VAL 116 HG11 VAL 116 214.744 -7.512 10.402 973 2HG1 VAL 116 HG12 VAL 116 216.288 -7.333 11.235 974 3HG1 VAL 116 HG13 VAL 116 216.180 -7.021 9.503 975 1HG2 VAL 116 HG21 VAL 116 217.389 -4.863 10.736 976 2HG2 VAL 116 HG22 VAL 116 216.744 -5.258 12.330 977 3HG2 VAL 116 HG23 VAL 116 216.289 -3.746 11.544 978 H TYR 117 HN TYR 117 212.821 -5.935 8.550 979 HA TYR 117 HA TYR 117 210.952 -3.950 8.418 980 1HB TYR 117 HB2 TYR 117 210.287 -6.091 7.624 981 2HB TYR 117 HB1 TYR 117 210.562 -6.839 9.200 982 HD1 TYR 117 HD1 TYR 117 208.626 -3.945 7.859 983 HD2 TYR 117 HD2 TYR 117 208.632 -7.378 10.363 984 HE1 TYR 117 HE1 TYR 117 206.308 -3.472 8.497 985 HE2 TYR 117 HE2 TYR 117 206.311 -6.917 11.013 986 HH TYR 117 HH TYR 117 204.735 -3.959 10.233 987 H GLY 118 HN GLY 118 210.957 -2.416 9.966 988 1HA GLY 118 HA2 GLY 118 211.247 -1.824 12.329 989 2HA GLY 118 HA1 GLY 118 209.546 -1.832 11.911 990 H LEU 119 HN LEU 119 212.122 -3.708 13.403 991 HA LEU 119 HA LEU 119 210.125 -4.908 15.131 992 1HB LEU 119 HB2 LEU 119 211.591 -6.297 13.091 993 2HB LEU 119 HB1 LEU 119 212.024 -6.927 14.676 994 HG LEU 119 HG LEU 119 209.377 -6.812 14.977 995 1HD1 LEU 119 HD11 LEU 119 208.859 -5.990 12.805 996 2HD1 LEU 119 HD12 LEU 119 208.333 -7.673 12.885 997 3HD1 LEU 119 HD13 LEU 119 209.823 -7.251 12.037 998 1HD2 LEU 119 HD21 LEU 119 210.505 -9.158 13.502 999 2HD2 LEU 119 HD22 LEU 119 209.385 -9.127 14.864 1000 3HD2 LEU 119 HD23 LEU 119 211.091 -8.754 15.116 Start of MODEL 12 1 1H GLY 1 HT1 GLY 1 208.488 -13.488 6.524 2 2H GLY 1 HT2 GLY 1 207.772 -12.679 5.223 3 3H GLY 1 HT3 GLY 1 208.307 -14.273 5.036 4 1HA GLY 1 HA1 GLY 1 205.772 -13.617 5.527 5 2HA GLY 1 HA2 GLY 1 206.486 -15.165 5.952 6 H SER 2 HN SER 2 206.423 -11.859 7.284 7 HA SER 2 HA SER 2 205.143 -12.712 9.693 8 1HB SER 2 HB2 SER 2 207.218 -11.791 11.059 9 2HB SER 2 HB1 SER 2 207.139 -13.481 10.565 10 HG SER 2 HG SER 2 209.108 -12.818 9.912 11 H MET 3 HN MET 3 204.387 -10.839 7.881 12 HA MET 3 HA MET 3 205.166 -8.241 8.967 13 1HB MET 3 HB2 MET 3 203.821 -9.143 6.452 14 2HB MET 3 HB1 MET 3 203.565 -7.498 7.014 15 1HG MET 3 HG2 MET 3 206.190 -7.489 7.156 16 2HG MET 3 HG1 MET 3 206.030 -8.791 5.976 17 1HE MET 3 HE1 MET 3 206.728 -5.067 6.111 18 2HE MET 3 HE2 MET 3 205.160 -5.183 6.912 19 3HE MET 3 HE3 MET 3 205.297 -4.338 5.374 20 H LYS 4 HN LYS 4 203.704 -6.790 9.852 21 HA LYS 4 HA LYS 4 201.031 -7.863 10.475 22 1HB LYS 4 HB2 LYS 4 203.068 -6.603 12.266 23 2HB LYS 4 HB1 LYS 4 201.361 -6.367 12.617 24 1HG LYS 4 HG2 LYS 4 201.598 -8.245 13.812 25 2HG LYS 4 HG1 LYS 4 201.428 -9.043 12.248 26 1HD LYS 4 HD2 LYS 4 203.700 -9.455 12.066 27 2HD LYS 4 HD1 LYS 4 204.125 -8.163 13.190 28 1HE LYS 4 HE2 LYS 4 202.669 -10.671 14.001 29 2HE LYS 4 HE1 LYS 4 204.422 -10.496 14.072 30 1HZ LYS 4 HZ1 LYS 4 202.794 -9.907 16.094 31 2HZ LYS 4 HZ2 LYS 4 202.897 -8.388 15.356 32 3HZ LYS 4 HZ3 LYS 4 204.303 -9.174 15.869 33 H PHE 5 HN PHE 5 199.437 -6.622 9.733 34 HA PHE 5 HA PHE 5 199.926 -3.731 9.449 35 1HB PHE 5 HB2 PHE 5 198.666 -5.647 7.505 36 2HB PHE 5 HB1 PHE 5 198.291 -3.928 7.456 37 HD1 PHE 5 HD1 PHE 5 199.465 -2.711 5.921 38 HD2 PHE 5 HD2 PHE 5 201.331 -6.064 7.753 39 HE1 PHE 5 HE1 PHE 5 201.496 -2.307 4.588 40 HE2 PHE 5 HE2 PHE 5 203.354 -5.666 6.428 41 HZ PHE 5 HZ PHE 5 203.445 -3.788 4.841 42 H VAL 6 HN VAL 6 197.609 -2.712 8.839 43 HA VAL 6 HA VAL 6 195.534 -3.843 10.546 44 HB VAL 6 HB VAL 6 195.280 -1.197 11.208 45 1HG1 VAL 6 HG11 VAL 6 195.071 -3.191 12.666 46 2HG1 VAL 6 HG12 VAL 6 195.930 -1.852 13.427 47 3HG1 VAL 6 HG13 VAL 6 196.829 -3.234 12.800 48 1HG2 VAL 6 HG21 VAL 6 197.719 -1.105 10.167 49 2HG2 VAL 6 HG22 VAL 6 198.153 -1.633 11.792 50 3HG2 VAL 6 HG23 VAL 6 197.256 -0.131 11.562 51 H TYR 7 HN TYR 7 196.135 -0.749 8.816 52 HA TYR 7 HA TYR 7 193.493 -0.474 7.934 53 1HB TYR 7 HB2 TYR 7 195.202 1.351 7.859 54 2HB TYR 7 HB1 TYR 7 195.950 0.539 6.486 55 HD1 TYR 7 HD1 TYR 7 195.236 1.016 4.316 56 HD2 TYR 7 HD2 TYR 7 192.715 2.004 7.601 57 HE1 TYR 7 HE1 TYR 7 193.702 2.174 2.784 58 HE2 TYR 7 HE2 TYR 7 191.176 3.164 6.078 59 HH TYR 7 HH TYR 7 191.554 4.339 3.619 60 H LYS 8 HN LYS 8 196.327 -1.822 6.267 61 HA LYS 8 HA LYS 8 194.784 -2.704 4.015 62 1HB LYS 8 HB2 LYS 8 197.375 -2.140 4.240 63 2HB LYS 8 HB1 LYS 8 197.476 -3.855 4.611 64 1HG LYS 8 HG2 LYS 8 195.897 -3.146 2.227 65 2HG LYS 8 HG1 LYS 8 197.636 -2.864 2.131 66 1HD LYS 8 HD2 LYS 8 198.056 -5.184 2.763 67 2HD LYS 8 HD1 LYS 8 196.321 -5.470 2.896 68 1HE LYS 8 HE2 LYS 8 196.752 -4.356 0.348 69 2HE LYS 8 HE1 LYS 8 198.008 -5.571 0.578 70 1HZ LYS 8 HZ1 LYS 8 195.081 -5.921 0.575 71 2HZ LYS 8 HZ2 LYS 8 196.078 -7.048 1.348 72 3HZ LYS 8 HZ3 LYS 8 196.253 -6.762 -0.310 73 H GLU 9 HN GLU 9 195.415 -3.907 7.140 74 HA GLU 9 HA GLU 9 194.890 -6.660 6.420 75 1HB GLU 9 HB2 GLU 9 196.078 -5.285 8.714 76 2HB GLU 9 HB1 GLU 9 195.052 -6.645 9.141 77 1HG GLU 9 HG2 GLU 9 197.186 -6.915 7.062 78 2HG GLU 9 HG1 GLU 9 197.558 -7.054 8.780 79 H GLU 10 HN GLU 10 193.248 -3.903 7.575 80 HA GLU 10 HA GLU 10 191.061 -5.448 8.729 81 1HB GLU 10 HB2 GLU 10 191.627 -2.486 8.589 82 2HB GLU 10 HB1 GLU 10 190.135 -3.149 9.239 83 1HG GLU 10 HG2 GLU 10 192.585 -4.294 10.371 84 2HG GLU 10 HG1 GLU 10 192.340 -2.580 10.699 85 H HIS 11 HN HIS 11 191.458 -2.866 6.297 86 HA HIS 11 HA HIS 11 188.919 -2.803 5.258 87 1HB HIS 11 HB2 HIS 11 191.619 -2.278 4.138 88 2HB HIS 11 HB1 HIS 11 190.291 -2.419 2.992 89 HD1 HIS 11 HD1 HIS 11 189.538 -0.153 2.381 90 HD2 HIS 11 HD2 HIS 11 190.510 -0.416 6.413 91 HE1 HIS 11 HE1 HIS 11 189.026 2.113 3.345 92 HE2 HIS 11 HE2 HIS 11 189.562 1.911 5.798 93 HA PRO 12 HA PRO 12 188.342 -7.192 4.171 94 1HB PRO 12 HB2 PRO 12 186.199 -5.990 2.553 95 2HB PRO 12 HB1 PRO 12 186.111 -7.264 3.768 96 1HG PRO 12 HG2 PRO 12 185.384 -4.571 4.109 97 2HG PRO 12 HG1 PRO 12 185.553 -5.789 5.379 98 1HD PRO 12 HD2 PRO 12 187.166 -3.493 4.951 99 2HD PRO 12 HD1 PRO 12 187.420 -4.782 6.138 100 H PHE 13 HN PHE 13 188.047 -8.332 2.055 101 HA PHE 13 HA PHE 13 189.970 -7.435 0.212 102 1HB PHE 13 HB2 PHE 13 189.131 -9.853 0.668 103 2HB PHE 13 HB1 PHE 13 187.897 -9.471 -0.530 104 HD1 PHE 13 HD1 PHE 13 190.909 -11.041 -0.149 105 HD2 PHE 13 HD2 PHE 13 189.025 -8.173 -2.669 106 HE1 PHE 13 HE1 PHE 13 192.510 -11.567 -1.943 107 HE2 PHE 13 HE2 PHE 13 190.619 -8.698 -4.464 108 HZ PHE 13 HZ PHE 13 192.368 -10.387 -4.102 109 H GLU 14 HN GLU 14 186.427 -7.576 0.003 110 HA GLU 14 HA GLU 14 186.115 -6.588 -2.563 111 1HB GLU 14 HB2 GLU 14 184.453 -7.012 -0.274 112 2HB GLU 14 HB1 GLU 14 184.066 -5.440 -0.961 113 1HG GLU 14 HG2 GLU 14 183.000 -6.353 -2.678 114 2HG GLU 14 HG1 GLU 14 184.327 -7.463 -3.009 115 H LYS 15 HN LYS 15 187.146 -4.960 0.296 116 HA LYS 15 HA LYS 15 186.624 -2.307 -0.711 117 1HB LYS 15 HB2 LYS 15 188.364 -3.035 1.638 118 2HB LYS 15 HB1 LYS 15 187.526 -1.517 1.341 119 1HG LYS 15 HG2 LYS 15 185.813 -3.903 1.521 120 2HG LYS 15 HG1 LYS 15 186.637 -3.426 3.005 121 1HD LYS 15 HD2 LYS 15 185.775 -1.095 2.593 122 2HD LYS 15 HD1 LYS 15 184.765 -1.786 1.318 123 1HE LYS 15 HE2 LYS 15 183.944 -3.407 3.125 124 2HE LYS 15 HE1 LYS 15 184.675 -2.290 4.275 125 1HZ LYS 15 HZ1 LYS 15 182.585 -1.582 2.286 126 2HZ LYS 15 HZ2 LYS 15 183.267 -0.531 3.422 127 3HZ LYS 15 HZ3 LYS 15 182.319 -1.833 3.938 128 H ARG 16 HN ARG 16 189.647 -3.881 0.368 129 HA ARG 16 HA ARG 16 191.394 -2.106 -0.836 130 1HB ARG 16 HB2 ARG 16 193.041 -4.033 -0.821 131 2HB ARG 16 HB1 ARG 16 192.304 -3.632 0.723 132 1HG ARG 16 HG2 ARG 16 190.688 -5.492 0.349 133 2HG ARG 16 HG1 ARG 16 191.614 -5.940 -1.077 134 1HD ARG 16 HD2 ARG 16 193.274 -6.852 0.134 135 2HD ARG 16 HD1 ARG 16 193.215 -5.578 1.351 136 HE ARG 16 HE ARG 16 190.977 -6.980 1.866 137 1HH1 ARG 16 HH11 ARG 16 194.301 -7.945 1.420 138 2HH1 ARG 16 HH12 ARG 16 194.175 -9.314 2.472 139 1HH2 ARG 16 HH21 ARG 16 190.810 -8.781 3.250 140 2HH2 ARG 16 HH22 ARG 16 192.194 -9.790 3.510 141 H ARG 17 HN ARG 17 189.559 -4.696 -2.257 142 HA ARG 17 HA ARG 17 191.059 -4.691 -4.726 143 1HB ARG 17 HB2 ARG 17 189.877 -6.718 -3.816 144 2HB ARG 17 HB1 ARG 17 188.357 -5.929 -4.219 145 1HG ARG 17 HG2 ARG 17 189.179 -5.781 -6.588 146 2HG ARG 17 HG1 ARG 17 190.523 -6.817 -6.104 147 1HD ARG 17 HD2 ARG 17 189.180 -8.646 -5.797 148 2HD ARG 17 HD1 ARG 17 187.750 -7.674 -5.459 149 HE ARG 17 HE ARG 17 187.295 -7.603 -7.712 150 1HH1 ARG 17 HH11 ARG 17 190.516 -8.856 -7.222 151 2HH1 ARG 17 HH12 ARG 17 190.707 -9.353 -8.869 152 1HH2 ARG 17 HH21 ARG 17 187.547 -8.254 -9.879 153 2HH2 ARG 17 HH22 ARG 17 189.023 -9.011 -10.377 154 H SER 18 HN SER 18 187.861 -3.605 -3.633 155 HA SER 18 HA SER 18 186.806 -2.627 -5.952 156 1HB SER 18 HB2 SER 18 185.415 -2.538 -4.053 157 2HB SER 18 HB1 SER 18 186.608 -1.644 -3.112 158 HG SER 18 HG SER 18 184.688 -0.496 -4.115 159 H GLU 19 HN GLU 19 189.190 -1.110 -3.850 160 HA GLU 19 HA GLU 19 189.290 1.344 -5.320 161 1HB GLU 19 HB2 GLU 19 190.594 0.189 -2.968 162 2HB GLU 19 HB1 GLU 19 191.658 1.202 -3.932 163 1HG GLU 19 HG2 GLU 19 190.671 3.069 -3.257 164 2HG GLU 19 HG1 GLU 19 189.055 2.408 -3.500 165 H GLY 20 HN GLY 20 191.257 -1.593 -5.173 166 1HA GLY 20 HA2 GLY 20 193.272 -0.702 -6.949 167 2HA GLY 20 HA1 GLY 20 192.928 -2.377 -6.540 168 H GLU 21 HN GLU 21 190.573 -2.966 -7.523 169 HA GLU 21 HA GLU 21 190.933 -3.336 -10.220 170 1HB GLU 21 HB2 GLU 21 189.372 -4.724 -9.207 171 2HB GLU 21 HB1 GLU 21 188.513 -3.386 -8.458 172 1HG GLU 21 HG2 GLU 21 187.242 -3.012 -10.268 173 2HG GLU 21 HG1 GLU 21 188.536 -3.413 -11.394 174 H LYS 22 HN LYS 22 189.730 -0.528 -8.574 175 HA LYS 22 HA LYS 22 188.705 0.613 -11.053 176 1HB LYS 22 HB2 LYS 22 187.234 1.145 -9.350 177 2HB LYS 22 HB1 LYS 22 188.510 1.331 -8.157 178 1HG LYS 22 HG2 LYS 22 188.399 3.283 -10.392 179 2HG LYS 22 HG1 LYS 22 187.179 3.396 -9.122 180 1HD LYS 22 HD2 LYS 22 189.519 3.064 -7.706 181 2HD LYS 22 HD1 LYS 22 190.015 4.077 -9.063 182 1HE LYS 22 HE2 LYS 22 187.676 4.650 -7.248 183 2HE LYS 22 HE1 LYS 22 189.275 5.372 -7.082 184 1HZ LYS 22 HZ1 LYS 22 187.641 5.607 -9.544 185 2HZ LYS 22 HZ2 LYS 22 189.038 6.473 -9.146 186 3HZ LYS 22 HZ3 LYS 22 187.601 6.748 -8.296 187 H ILE 23 HN ILE 23 191.108 1.339 -8.552 188 HA ILE 23 HA ILE 23 192.233 3.607 -9.743 189 HB ILE 23 HB ILE 23 193.315 1.542 -7.840 190 1HG1 ILE 23 HG12 ILE 23 192.877 4.443 -7.257 191 2HG1 ILE 23 HG11 ILE 23 191.495 3.355 -7.334 192 1HG2 ILE 23 HG21 ILE 23 195.102 2.739 -9.319 193 2HG2 ILE 23 HG22 ILE 23 195.337 2.612 -7.579 194 3HG2 ILE 23 HG23 ILE 23 194.754 4.117 -8.278 195 1HD1 ILE 23 HD11 ILE 23 193.270 3.811 -5.187 196 2HD1 ILE 23 HD12 ILE 23 193.478 2.142 -5.718 197 3HD1 ILE 23 HD13 ILE 23 191.879 2.727 -5.259 198 H ARG 24 HN ARG 24 192.559 0.228 -10.442 199 HA ARG 24 HA ARG 24 194.960 0.490 -12.008 200 1HB ARG 24 HB2 ARG 24 192.964 -1.749 -11.649 201 2HB ARG 24 HB1 ARG 24 194.388 -1.879 -12.675 202 1HG ARG 24 HG2 ARG 24 194.347 -1.427 -9.700 203 2HG ARG 24 HG1 ARG 24 194.831 -2.899 -10.544 204 1HD ARG 24 HD2 ARG 24 196.219 -0.234 -10.491 205 2HD ARG 24 HD1 ARG 24 196.829 -1.789 -9.932 206 HE ARG 24 HE ARG 24 196.953 -0.759 -12.582 207 1HH1 ARG 24 HH11 ARG 24 196.624 -3.721 -10.766 208 2HH1 ARG 24 HH12 ARG 24 197.300 -4.709 -12.017 209 1HH2 ARG 24 HH21 ARG 24 197.843 -2.058 -14.228 210 2HH2 ARG 24 HH22 ARG 24 197.993 -3.765 -13.981 211 H LYS 25 HN LYS 25 191.499 0.097 -12.610 212 HA LYS 25 HA LYS 25 191.715 0.076 -15.451 213 1HB LYS 25 HB2 LYS 25 189.389 0.608 -13.606 214 2HB LYS 25 HB1 LYS 25 189.250 0.361 -15.346 215 1HG LYS 25 HG2 LYS 25 190.058 -1.891 -15.144 216 2HG LYS 25 HG1 LYS 25 190.409 -1.649 -13.430 217 1HD LYS 25 HD2 LYS 25 188.329 -2.892 -13.723 218 2HD LYS 25 HD1 LYS 25 188.015 -1.313 -13.000 219 1HE LYS 25 HE2 LYS 25 186.852 -0.581 -14.786 220 2HE LYS 25 HE1 LYS 25 187.918 -1.386 -15.937 221 1HZ LYS 25 HZ1 LYS 25 186.662 -3.246 -15.940 222 2HZ LYS 25 HZ2 LYS 25 185.436 -2.170 -15.490 223 3HZ LYS 25 HZ3 LYS 25 186.215 -3.104 -14.314 224 H LYS 26 HN LYS 26 190.994 2.531 -13.030 225 HA LYS 26 HA LYS 26 190.452 4.574 -14.943 226 1HB LYS 26 HB2 LYS 26 189.754 4.277 -12.391 227 2HB LYS 26 HB1 LYS 26 191.179 5.279 -12.163 228 1HG LYS 26 HG2 LYS 26 190.266 7.036 -13.445 229 2HG LYS 26 HG1 LYS 26 188.968 6.005 -14.054 230 1HD LYS 26 HD2 LYS 26 187.715 6.269 -12.204 231 2HD LYS 26 HD1 LYS 26 189.113 6.229 -11.129 232 1HE LYS 26 HE2 LYS 26 188.925 8.432 -10.894 233 2HE LYS 26 HE1 LYS 26 189.349 8.604 -12.597 234 1HZ LYS 26 HZ1 LYS 26 187.340 9.694 -12.452 235 2HZ LYS 26 HZ2 LYS 26 186.683 8.598 -11.345 236 3HZ LYS 26 HZ3 LYS 26 186.853 8.158 -12.970 237 H TYR 27 HN TYR 27 193.171 3.599 -12.957 238 HA TYR 27 HA TYR 27 194.857 5.504 -14.448 239 1HB TYR 27 HB2 TYR 27 195.737 4.630 -11.747 240 2HB TYR 27 HB1 TYR 27 195.990 6.164 -12.567 241 HD1 TYR 27 HD1 TYR 27 194.847 5.169 -9.684 242 HD2 TYR 27 HD2 TYR 27 193.225 6.995 -13.164 243 HE1 TYR 27 HE1 TYR 27 193.060 6.163 -8.317 244 HE2 TYR 27 HE2 TYR 27 191.434 8.000 -11.811 245 HH TYR 27 HH TYR 27 190.850 7.075 -8.556 246 HA PRO 28 HA PRO 28 196.544 1.372 -15.383 247 1HB PRO 28 HB2 PRO 28 197.480 2.595 -17.850 248 2HB PRO 28 HB1 PRO 28 196.298 1.305 -17.632 249 1HG PRO 28 HG2 PRO 28 195.631 3.791 -18.502 250 2HG PRO 28 HG1 PRO 28 194.525 2.762 -17.576 251 1HD PRO 28 HD2 PRO 28 196.219 5.048 -16.638 252 2HD PRO 28 HD1 PRO 28 194.539 4.644 -16.221 253 H ASP 29 HN ASP 29 198.023 4.519 -15.320 254 HA ASP 29 HA ASP 29 200.705 3.348 -15.404 255 1HB ASP 29 HB2 ASP 29 199.780 5.593 -16.583 256 2HB ASP 29 HB1 ASP 29 200.391 6.273 -15.078 257 H ARG 30 HN ARG 30 198.417 4.034 -13.104 258 HA ARG 30 HA ARG 30 200.427 4.724 -11.070 259 1HB ARG 30 HB2 ARG 30 197.537 5.313 -11.382 260 2HB ARG 30 HB1 ARG 30 198.115 5.038 -9.746 261 1HG ARG 30 HG2 ARG 30 199.869 6.827 -11.165 262 2HG ARG 30 HG1 ARG 30 198.204 7.409 -11.199 263 1HD ARG 30 HD2 ARG 30 198.059 7.439 -8.851 264 2HD ARG 30 HD1 ARG 30 199.528 6.481 -8.670 265 HE ARG 30 HE ARG 30 200.769 8.398 -8.879 266 1HH1 ARG 30 HH11 ARG 30 197.493 9.044 -9.894 267 2HH1 ARG 30 HH12 ARG 30 197.734 10.755 -10.011 268 1HH2 ARG 30 HH21 ARG 30 201.087 10.647 -9.032 269 2HH2 ARG 30 HH22 ARG 30 199.775 11.665 -9.522 270 H VAL 31 HN VAL 31 200.212 3.689 -8.956 271 HA VAL 31 HA VAL 31 198.932 1.048 -9.053 272 HB VAL 31 HB VAL 31 200.854 0.004 -7.975 273 1HG1 VAL 31 HG11 VAL 31 201.209 -0.482 -10.130 274 2HG1 VAL 31 HG12 VAL 31 202.529 0.682 -10.012 275 3HG1 VAL 31 HG13 VAL 31 200.964 1.186 -10.649 276 1HG2 VAL 31 HG21 VAL 31 201.711 2.736 -7.630 277 2HG2 VAL 31 HG22 VAL 31 202.967 1.780 -8.416 278 3HG2 VAL 31 HG23 VAL 31 202.309 1.264 -6.862 279 HA PRO 32 HA PRO 32 197.433 2.662 -5.136 280 1HB PRO 32 HB2 PRO 32 196.005 0.452 -4.426 281 2HB PRO 32 HB1 PRO 32 195.413 1.661 -5.571 282 1HG PRO 32 HG2 PRO 32 196.667 -1.002 -6.101 283 2HG PRO 32 HG1 PRO 32 195.288 -0.232 -6.907 284 1HD PRO 32 HD2 PRO 32 197.774 -0.266 -7.983 285 2HD PRO 32 HD1 PRO 32 196.638 1.073 -8.246 286 H VAL 33 HN VAL 33 199.060 2.763 -3.682 287 HA VAL 33 HA VAL 33 200.217 0.242 -2.740 288 HB VAL 33 HB VAL 33 201.327 3.036 -2.536 289 1HG1 VAL 33 HG11 VAL 33 202.456 2.184 -0.798 290 2HG1 VAL 33 HG12 VAL 33 203.401 1.343 -2.028 291 3HG1 VAL 33 HG13 VAL 33 202.062 0.519 -1.228 292 1HG2 VAL 33 HG21 VAL 33 201.348 2.138 -4.811 293 2HG2 VAL 33 HG22 VAL 33 202.185 0.689 -4.242 294 3HG2 VAL 33 HG23 VAL 33 202.981 2.263 -4.158 295 H ILE 34 HN ILE 34 200.332 -0.281 -0.602 296 HA ILE 34 HA ILE 34 198.897 1.471 1.272 297 HB ILE 34 HB ILE 34 199.011 -1.531 1.556 298 1HG1 ILE 34 HG12 ILE 34 197.873 -1.075 -0.546 299 2HG1 ILE 34 HG11 ILE 34 196.675 -1.515 0.669 300 1HG2 ILE 34 HG21 ILE 34 196.871 -0.908 2.876 301 2HG2 ILE 34 HG22 ILE 34 197.540 0.722 2.860 302 3HG2 ILE 34 HG23 ILE 34 198.449 -0.595 3.602 303 1HD1 ILE 34 HD11 ILE 34 195.826 0.620 0.794 304 2HD1 ILE 34 HD12 ILE 34 196.243 0.491 -0.916 305 3HD1 ILE 34 HD13 ILE 34 197.310 1.359 0.189 306 H VAL 35 HN VAL 35 201.065 2.360 1.558 307 HA VAL 35 HA VAL 35 203.223 0.923 2.618 308 HB VAL 35 HB VAL 35 202.536 3.826 3.091 309 1HG1 VAL 35 HG11 VAL 35 204.203 3.327 4.637 310 2HG1 VAL 35 HG12 VAL 35 205.100 3.945 3.248 311 3HG1 VAL 35 HG13 VAL 35 205.017 2.207 3.541 312 1HG2 VAL 35 HG21 VAL 35 202.625 3.438 0.742 313 2HG2 VAL 35 HG22 VAL 35 204.082 2.454 0.900 314 3HG2 VAL 35 HG23 VAL 35 204.150 4.190 1.206 315 H GLU 36 HN GLU 36 204.084 0.957 4.808 316 HA GLU 36 HA GLU 36 202.196 1.467 6.968 317 1HB GLU 36 HB2 GLU 36 202.538 -1.117 5.865 318 2HB GLU 36 HB1 GLU 36 203.341 -1.126 7.427 319 1HG GLU 36 HG2 GLU 36 200.963 0.155 7.955 320 2HG GLU 36 HG1 GLU 36 200.509 -1.077 6.780 321 H LYS 37 HN LYS 37 203.205 1.285 9.108 322 HA LYS 37 HA LYS 37 206.075 1.874 8.952 323 1HB LYS 37 HB2 LYS 37 204.290 3.455 10.034 324 2HB LYS 37 HB1 LYS 37 204.397 2.349 11.394 325 1HG LYS 37 HG2 LYS 37 207.045 3.000 10.648 326 2HG LYS 37 HG1 LYS 37 206.123 4.505 10.695 327 1HD LYS 37 HD2 LYS 37 207.025 4.130 12.879 328 2HD LYS 37 HD1 LYS 37 205.288 3.832 12.952 329 1HE LYS 37 HE2 LYS 37 205.547 1.559 13.178 330 2HE LYS 37 HE1 LYS 37 207.127 1.561 12.394 331 1HZ LYS 37 HZ1 LYS 37 207.910 2.818 14.435 332 2HZ LYS 37 HZ2 LYS 37 207.559 1.176 14.642 333 3HZ LYS 37 HZ3 LYS 37 206.456 2.348 15.165 334 H ALA 38 HN ALA 38 206.922 -0.159 8.948 335 HA ALA 38 HA ALA 38 206.339 -2.473 10.114 336 1HB ALA 38 HB1 ALA 38 208.628 -3.038 10.140 337 2HB ALA 38 HB2 ALA 38 209.115 -1.353 10.350 338 3HB ALA 38 HB3 ALA 38 208.410 -1.891 8.818 339 HA PRO 39 HA PRO 39 206.035 -2.289 14.499 340 1HB PRO 39 HB2 PRO 39 207.110 -4.739 15.112 341 2HB PRO 39 HB1 PRO 39 205.453 -4.500 14.532 342 1HG PRO 39 HG2 PRO 39 207.906 -5.266 13.012 343 2HG PRO 39 HG1 PRO 39 206.272 -5.940 12.899 344 1HD PRO 39 HD2 PRO 39 207.180 -4.213 11.091 345 2HD PRO 39 HD1 PRO 39 205.494 -4.145 11.651 346 H LYS 40 HN LYS 40 207.261 -1.668 16.192 347 HA LYS 40 HA LYS 40 209.060 -1.109 17.456 348 1HB LYS 40 HB2 LYS 40 210.425 -3.237 15.806 349 2HB LYS 40 HB1 LYS 40 211.151 -2.442 17.194 350 1HG LYS 40 HG2 LYS 40 210.314 -4.141 18.367 351 2HG LYS 40 HG1 LYS 40 208.774 -3.296 18.221 352 1HD LYS 40 HD2 LYS 40 208.864 -4.674 15.869 353 2HD LYS 40 HD1 LYS 40 209.694 -5.783 16.960 354 1HE LYS 40 HE2 LYS 40 207.211 -6.110 16.790 355 2HE LYS 40 HE1 LYS 40 207.829 -5.881 18.424 356 1HZ LYS 40 HZ1 LYS 40 205.745 -4.569 17.519 357 2HZ LYS 40 HZ2 LYS 40 206.943 -3.503 16.984 358 3HZ LYS 40 HZ3 LYS 40 206.821 -3.879 18.628 359 H ALA 41 HN ALA 41 208.911 -0.431 14.187 360 HA ALA 41 HA ALA 41 211.366 0.550 13.466 361 1HB ALA 41 HB1 ALA 41 208.892 2.100 12.819 362 2HB ALA 41 HB2 ALA 41 209.153 0.491 12.131 363 3HB ALA 41 HB3 ALA 41 210.309 1.788 11.820 364 H ARG 42 HN ARG 42 212.458 2.429 13.827 365 HA ARG 42 HA ARG 42 211.734 3.887 16.234 366 1HB ARG 42 HB2 ARG 42 214.250 4.263 14.617 367 2HB ARG 42 HB1 ARG 42 213.981 4.668 16.306 368 1HG ARG 42 HG2 ARG 42 214.201 2.487 17.006 369 2HG ARG 42 HG1 ARG 42 213.768 1.825 15.428 370 1HD ARG 42 HD2 ARG 42 216.116 1.475 15.801 371 2HD ARG 42 HD1 ARG 42 215.913 2.683 14.533 372 HE ARG 42 HE ARG 42 216.903 4.238 15.895 373 1HH1 ARG 42 HH11 ARG 42 216.050 1.436 17.795 374 2HH1 ARG 42 HH12 ARG 42 216.900 1.977 19.204 375 1HH2 ARG 42 HH21 ARG 42 218.020 4.951 17.748 376 2HH2 ARG 42 HH22 ARG 42 218.017 3.974 19.177 377 H ILE 43 HN ILE 43 210.176 4.293 13.975 378 HA ILE 43 HA ILE 43 210.673 7.140 13.415 379 HB ILE 43 HB ILE 43 209.389 6.532 11.229 380 1HG1 ILE 43 HG12 ILE 43 210.702 3.910 11.944 381 2HG1 ILE 43 HG11 ILE 43 208.968 4.200 11.861 382 1HG2 ILE 43 HG21 ILE 43 212.282 6.217 11.858 383 2HG2 ILE 43 HG22 ILE 43 211.467 7.468 10.919 384 3HG2 ILE 43 HG23 ILE 43 211.705 5.862 10.230 385 1HD1 ILE 43 HD11 ILE 43 209.152 3.397 9.803 386 2HD1 ILE 43 HD12 ILE 43 210.893 3.687 9.739 387 3HD1 ILE 43 HD13 ILE 43 209.769 5.003 9.405 388 H GLY 44 HN GLY 44 208.646 8.158 12.486 389 1HA GLY 44 HA2 GLY 44 206.565 7.904 14.422 390 2HA GLY 44 HA1 GLY 44 206.555 8.962 13.018 391 H ASP 45 HN ASP 45 204.476 7.172 14.217 392 HA ASP 45 HA ASP 45 204.064 5.110 12.231 393 1HB ASP 45 HB2 ASP 45 202.190 6.070 14.404 394 2HB ASP 45 HB1 ASP 45 202.050 4.575 13.484 395 H LEU 46 HN LEU 46 202.872 5.239 10.448 396 HA LEU 46 HA LEU 46 201.735 7.800 9.726 397 1HB LEU 46 HB2 LEU 46 202.827 5.533 8.347 398 2HB LEU 46 HB1 LEU 46 201.231 5.885 7.712 399 HG LEU 46 HG LEU 46 203.017 8.212 8.036 400 1HD1 LEU 46 HD11 LEU 46 204.064 7.641 5.785 401 2HD1 LEU 46 HD12 LEU 46 203.588 5.977 6.115 402 3HD1 LEU 46 HD13 LEU 46 204.700 6.809 7.204 403 1HD2 LEU 46 HD21 LEU 46 200.865 7.248 6.243 404 2HD2 LEU 46 HD22 LEU 46 202.042 8.376 5.574 405 3HD2 LEU 46 HD23 LEU 46 201.096 8.830 6.989 406 H ASP 47 HN ASP 47 199.596 8.104 8.993 407 HA ASP 47 HA ASP 47 197.674 6.068 9.910 408 1HB ASP 47 HB2 ASP 47 196.161 7.911 10.566 409 2HB ASP 47 HB1 ASP 47 197.668 7.936 11.477 410 H LYS 48 HN LYS 48 198.871 6.761 7.235 411 HA LYS 48 HA LYS 48 196.388 7.417 5.795 412 1HB LYS 48 HB2 LYS 48 198.166 9.015 5.355 413 2HB LYS 48 HB1 LYS 48 199.275 7.716 4.947 414 1HG LYS 48 HG2 LYS 48 197.495 7.160 3.118 415 2HG LYS 48 HG1 LYS 48 197.012 8.839 3.373 416 1HD LYS 48 HD2 LYS 48 199.596 9.278 3.141 417 2HD LYS 48 HD1 LYS 48 199.561 7.736 2.283 418 1HE LYS 48 HE2 LYS 48 198.986 8.893 0.469 419 2HE LYS 48 HE1 LYS 48 197.413 9.127 1.230 420 1HZ LYS 48 HZ1 LYS 48 198.816 11.080 2.370 421 2HZ LYS 48 HZ2 LYS 48 197.927 11.282 0.946 422 3HZ LYS 48 HZ3 LYS 48 199.595 11.006 0.869 423 H LYS 49 HN LYS 49 199.349 5.472 5.489 424 HA LYS 49 HA LYS 49 199.740 3.382 4.727 425 1HB LYS 49 HB2 LYS 49 196.794 3.195 5.250 426 2HB LYS 49 HB1 LYS 49 197.614 1.877 4.426 427 1HG LYS 49 HG2 LYS 49 199.001 2.752 6.830 428 2HG LYS 49 HG1 LYS 49 197.362 2.175 7.137 429 1HD LYS 49 HD2 LYS 49 198.261 0.280 5.417 430 2HD LYS 49 HD1 LYS 49 199.753 0.706 6.254 431 1HE LYS 49 HE2 LYS 49 197.194 -0.336 7.431 432 2HE LYS 49 HE1 LYS 49 198.790 -1.073 7.475 433 1HZ LYS 49 HZ1 LYS 49 199.158 -0.052 9.386 434 2HZ LYS 49 HZ2 LYS 49 197.644 0.699 9.322 435 3HZ LYS 49 HZ3 LYS 49 198.993 1.457 8.639 436 H LYS 50 HN LYS 50 196.766 4.561 3.116 437 HA LYS 50 HA LYS 50 197.350 3.316 0.652 438 1HB LYS 50 HB2 LYS 50 195.483 5.522 1.471 439 2HB LYS 50 HB1 LYS 50 195.647 5.055 -0.216 440 1HG LYS 50 HG2 LYS 50 195.274 2.691 1.298 441 2HG LYS 50 HG1 LYS 50 194.065 3.866 1.818 442 1HD LYS 50 HD2 LYS 50 193.235 2.504 -0.034 443 2HD LYS 50 HD1 LYS 50 193.381 4.198 -0.504 444 1HE LYS 50 HE2 LYS 50 195.832 3.222 -1.185 445 2HE LYS 50 HE1 LYS 50 194.797 1.830 -1.497 446 1HZ LYS 50 HZ1 LYS 50 193.390 3.263 -2.875 447 2HZ LYS 50 HZ2 LYS 50 194.975 3.183 -3.461 448 3HZ LYS 50 HZ3 LYS 50 194.454 4.556 -2.622 449 H TYR 51 HN TYR 51 198.194 4.080 -1.249 450 HA TYR 51 HA TYR 51 199.176 6.792 -1.459 451 1HB TYR 51 HB2 TYR 51 201.008 4.425 -1.187 452 2HB TYR 51 HB1 TYR 51 201.502 5.849 -2.096 453 HD1 TYR 51 HD1 TYR 51 201.918 7.962 -0.964 454 HD2 TYR 51 HD2 TYR 51 200.764 4.496 1.204 455 HE1 TYR 51 HE1 TYR 51 202.615 9.050 1.125 456 HE2 TYR 51 HE2 TYR 51 201.456 5.569 3.308 457 HH TYR 51 HH TYR 51 203.019 7.377 4.020 458 H LEU 52 HN LEU 52 198.554 7.369 -3.428 459 HA LEU 52 HA LEU 52 198.365 5.339 -5.524 460 1HB LEU 52 HB2 LEU 52 196.657 7.331 -4.852 461 2HB LEU 52 HB1 LEU 52 197.587 8.134 -6.104 462 HG LEU 52 HG LEU 52 196.992 6.403 -7.710 463 1HD1 LEU 52 HD11 LEU 52 196.413 4.897 -5.376 464 2HD1 LEU 52 HD12 LEU 52 196.395 4.372 -7.060 465 3HD1 LEU 52 HD13 LEU 52 194.931 5.025 -6.326 466 1HD2 LEU 52 HD21 LEU 52 195.336 8.345 -6.743 467 2HD2 LEU 52 HD22 LEU 52 194.320 6.909 -6.625 468 3HD2 LEU 52 HD23 LEU 52 195.024 7.366 -8.176 469 H VAL 53 HN VAL 53 200.692 5.176 -5.661 470 HA VAL 53 HA VAL 53 202.052 7.462 -6.875 471 HB VAL 53 HB VAL 53 204.013 5.645 -6.769 472 1HG1 VAL 53 HG11 VAL 53 204.563 7.542 -5.675 473 2HG1 VAL 53 HG12 VAL 53 204.215 6.558 -4.253 474 3HG1 VAL 53 HG13 VAL 53 202.996 7.667 -4.877 475 1HG2 VAL 53 HG21 VAL 53 202.320 3.979 -5.811 476 2HG2 VAL 53 HG22 VAL 53 202.438 4.915 -4.320 477 3HG2 VAL 53 HG23 VAL 53 203.872 4.136 -4.988 478 HA PRO 54 HA PRO 54 201.918 6.060 -11.044 479 1HB PRO 54 HB2 PRO 54 204.845 6.553 -11.148 480 2HB PRO 54 HB1 PRO 54 203.556 7.208 -12.164 481 1HG PRO 54 HG2 PRO 54 204.740 8.721 -10.315 482 2HG PRO 54 HG1 PRO 54 202.999 8.851 -10.629 483 1HD PRO 54 HD2 PRO 54 204.424 7.505 -8.373 484 2HD PRO 54 HD1 PRO 54 202.906 8.428 -8.362 485 H SER 55 HN SER 55 203.643 4.785 -12.570 486 HA SER 55 HA SER 55 204.182 2.280 -11.118 487 1HB SER 55 HB2 SER 55 203.676 1.061 -13.076 488 2HB SER 55 HB1 SER 55 202.446 2.323 -13.018 489 HG SER 55 HG SER 55 204.726 2.145 -14.671 490 H ASP 56 HN ASP 56 205.630 4.868 -12.777 491 HA ASP 56 HA ASP 56 208.045 3.328 -13.374 492 1HB ASP 56 HB2 ASP 56 206.904 5.896 -14.338 493 2HB ASP 56 HB1 ASP 56 208.659 5.802 -14.233 494 H LEU 57 HN LEU 57 206.672 5.136 -10.932 495 HA LEU 57 HA LEU 57 208.738 6.713 -9.968 496 1HB LEU 57 HB2 LEU 57 206.427 6.760 -9.116 497 2HB LEU 57 HB1 LEU 57 206.685 5.195 -8.366 498 HG LEU 57 HG LEU 57 208.718 6.533 -7.249 499 1HD1 LEU 57 HD11 LEU 57 206.589 8.640 -7.437 500 2HD1 LEU 57 HD12 LEU 57 207.985 8.597 -8.513 501 3HD1 LEU 57 HD13 LEU 57 208.218 8.779 -6.775 502 1HD2 LEU 57 HD21 LEU 57 206.992 7.089 -5.390 503 2HD2 LEU 57 HD22 LEU 57 207.295 5.407 -5.822 504 3HD2 LEU 57 HD23 LEU 57 205.860 6.229 -6.435 505 H THR 58 HN THR 58 210.735 6.142 -9.431 506 HA THR 58 HA THR 58 211.454 3.425 -8.900 507 HB THR 58 HB THR 58 213.654 4.804 -8.152 508 HG1 THR 58 HG1 THR 58 212.502 6.466 -10.122 509 1HG2 THR 58 HG21 THR 58 212.776 3.497 -10.509 510 2HG2 THR 58 HG22 THR 58 214.423 3.754 -9.931 511 3HG2 THR 58 HG23 THR 58 213.657 4.954 -10.970 512 H VAL 59 HN VAL 59 212.073 2.470 -7.016 513 HA VAL 59 HA VAL 59 210.732 2.978 -4.698 514 HB VAL 59 HB VAL 59 213.353 1.615 -5.203 515 1HG1 VAL 59 HG11 VAL 59 213.191 0.714 -2.860 516 2HG1 VAL 59 HG12 VAL 59 211.995 1.969 -2.534 517 3HG1 VAL 59 HG13 VAL 59 213.643 2.416 -2.973 518 1HG2 VAL 59 HG21 VAL 59 210.689 0.552 -4.282 519 2HG2 VAL 59 HG22 VAL 59 212.095 -0.392 -4.769 520 3HG2 VAL 59 HG23 VAL 59 211.236 0.586 -5.958 521 H GLY 60 HN GLY 60 213.805 4.360 -5.736 522 1HA GLY 60 HA2 GLY 60 214.551 5.585 -3.316 523 2HA GLY 60 HA1 GLY 60 215.031 6.125 -4.919 524 H GLN 61 HN GLN 61 212.372 6.574 -5.880 525 HA GLN 61 HA GLN 61 211.955 9.233 -4.933 526 1HB GLN 61 HB2 GLN 61 210.313 7.505 -6.778 527 2HB GLN 61 HB1 GLN 61 210.040 9.221 -6.493 528 1HG GLN 61 HG2 GLN 61 212.351 9.646 -7.280 529 2HG GLN 61 HG1 GLN 61 212.451 7.946 -7.735 530 1HE2 GLN 61 HE21 GLN 61 209.799 7.653 -8.653 531 2HE2 GLN 61 HE22 GLN 61 209.643 8.524 -10.138 532 H PHE 62 HN PHE 62 210.077 6.221 -4.769 533 HA PHE 62 HA PHE 62 207.883 7.098 -3.342 534 1HB PHE 62 HB2 PHE 62 208.383 4.768 -4.311 535 2HB PHE 62 HB1 PHE 62 209.187 4.444 -2.781 536 HD1 PHE 62 HD1 PHE 62 206.089 6.381 -3.412 537 HD2 PHE 62 HD2 PHE 62 207.826 2.873 -1.753 538 HE1 PHE 62 HE1 PHE 62 203.919 5.783 -2.422 539 HE2 PHE 62 HE2 PHE 62 205.657 2.265 -0.758 540 HZ PHE 62 HZ PHE 62 203.702 3.724 -1.097 541 H TYR 63 HN TYR 63 211.044 6.092 -2.135 542 HA TYR 63 HA TYR 63 210.574 6.095 0.598 543 1HB TYR 63 HB2 TYR 63 212.944 6.579 -1.134 544 2HB TYR 63 HB1 TYR 63 213.074 7.070 0.550 545 HD1 TYR 63 HD1 TYR 63 213.616 4.485 -1.692 546 HD2 TYR 63 HD2 TYR 63 212.260 5.200 2.267 547 HE1 TYR 63 HE1 TYR 63 214.193 2.170 -1.086 548 HE2 TYR 63 HE2 TYR 63 212.829 2.896 2.892 549 HH TYR 63 HH TYR 63 214.748 1.076 1.666 550 H PHE 64 HN PHE 64 212.174 8.690 -1.149 551 HA PHE 64 HA PHE 64 212.180 10.694 0.653 552 1HB PHE 64 HB2 PHE 64 213.242 11.157 -1.362 553 2HB PHE 64 HB1 PHE 64 211.850 10.672 -2.322 554 HD1 PHE 64 HD1 PHE 64 213.085 13.331 -0.046 555 HD2 PHE 64 HD2 PHE 64 210.363 12.251 -3.134 556 HE1 PHE 64 HE1 PHE 64 212.439 15.692 -0.294 557 HE2 PHE 64 HE2 PHE 64 209.710 14.612 -3.388 558 HZ PHE 64 HZ PHE 64 210.750 16.336 -1.967 559 H LEU 65 HN LEU 65 209.356 9.727 -1.270 560 HA LEU 65 HA LEU 65 207.766 11.921 -0.417 561 1HB LEU 65 HB2 LEU 65 206.383 11.195 -1.990 562 2HB LEU 65 HB1 LEU 65 207.576 9.960 -2.349 563 HG LEU 65 HG LEU 65 206.408 8.565 -0.577 564 1HD1 LEU 65 HD11 LEU 65 205.043 10.813 -0.026 565 2HD1 LEU 65 HD12 LEU 65 204.400 9.200 0.279 566 3HD1 LEU 65 HD13 LEU 65 203.935 10.072 -1.180 567 1HD2 LEU 65 HD21 LEU 65 204.754 9.171 -3.014 568 2HD2 LEU 65 HD22 LEU 65 204.964 7.626 -2.192 569 3HD2 LEU 65 HD23 LEU 65 206.300 8.330 -3.103 570 H ILE 66 HN ILE 66 208.250 8.629 0.723 571 HA ILE 66 HA ILE 66 206.217 8.816 2.751 572 HB ILE 66 HB ILE 66 208.390 6.781 2.268 573 1HG1 ILE 66 HG12 ILE 66 206.703 6.728 0.553 574 2HG1 ILE 66 HG11 ILE 66 206.439 5.351 1.618 575 1HG2 ILE 66 HG21 ILE 66 206.467 7.081 4.498 576 2HG2 ILE 66 HG22 ILE 66 208.079 6.363 4.477 577 3HG2 ILE 66 HG23 ILE 66 206.700 5.457 3.850 578 1HD1 ILE 66 HD11 ILE 66 204.573 6.397 2.642 579 2HD1 ILE 66 HD12 ILE 66 204.379 6.567 0.897 580 3HD1 ILE 66 HD13 ILE 66 204.927 7.938 1.860 581 H ARG 67 HN ARG 67 209.638 9.454 2.519 582 HA ARG 67 HA ARG 67 210.374 9.325 5.206 583 1HB ARG 67 HB2 ARG 67 211.453 10.445 2.762 584 2HB ARG 67 HB1 ARG 67 211.753 11.522 4.118 585 1HG ARG 67 HG2 ARG 67 213.375 10.219 4.882 586 2HG ARG 67 HG1 ARG 67 212.328 8.798 4.852 587 1HD ARG 67 HD2 ARG 67 212.885 8.337 2.594 588 2HD ARG 67 HD1 ARG 67 213.671 9.905 2.402 589 HE ARG 67 HE ARG 67 214.863 8.249 4.425 590 1HH1 ARG 67 HH11 ARG 67 214.815 9.023 1.023 591 2HH1 ARG 67 HH12 ARG 67 216.426 8.453 0.743 592 1HH2 ARG 67 HH21 ARG 67 216.981 7.498 4.059 593 2HH2 ARG 67 HH22 ARG 67 217.656 7.586 2.466 594 H LYS 68 HN LYS 68 208.983 12.062 3.387 595 HA LYS 68 HA LYS 68 208.964 13.860 5.572 596 1HB LYS 68 HB2 LYS 68 207.112 13.799 3.188 597 2HB LYS 68 HB1 LYS 68 207.380 15.166 4.261 598 1HG LYS 68 HG2 LYS 68 209.489 15.587 3.416 599 2HG LYS 68 HG1 LYS 68 209.665 13.952 2.771 600 1HD LYS 68 HD2 LYS 68 207.388 15.305 1.618 601 2HD LYS 68 HD1 LYS 68 208.874 16.227 1.373 602 1HE LYS 68 HE2 LYS 68 209.939 14.336 0.341 603 2HE LYS 68 HE1 LYS 68 208.579 13.300 0.757 604 1HZ LYS 68 HZ1 LYS 68 208.310 13.854 -1.495 605 2HZ LYS 68 HZ2 LYS 68 208.641 15.491 -1.231 606 3HZ LYS 68 HZ3 LYS 68 207.194 14.820 -0.669 607 H ARG 69 HN ARG 69 206.653 11.513 4.339 608 HA ARG 69 HA ARG 69 204.418 12.080 5.862 609 1HB ARG 69 HB2 ARG 69 205.527 9.397 5.043 610 2HB ARG 69 HB1 ARG 69 203.922 9.632 5.707 611 1HG ARG 69 HG2 ARG 69 204.803 11.162 3.310 612 2HG ARG 69 HG1 ARG 69 204.250 9.497 3.146 613 1HD ARG 69 HD2 ARG 69 202.726 11.876 3.323 614 2HD ARG 69 HD1 ARG 69 202.163 10.221 3.113 615 HE ARG 69 HE ARG 69 202.383 10.245 5.718 616 1HH1 ARG 69 HH11 ARG 69 201.216 12.829 3.677 617 2HH1 ARG 69 HH12 ARG 69 200.186 13.489 4.900 618 1HH2 ARG 69 HH21 ARG 69 201.026 11.112 7.317 619 2HH2 ARG 69 HH22 ARG 69 200.077 12.516 6.963 620 H ILE 70 HN ILE 70 207.470 10.788 6.822 621 HA ILE 70 HA ILE 70 206.470 10.208 9.529 622 HB ILE 70 HB ILE 70 209.042 9.125 9.340 623 1HG1 ILE 70 HG12 ILE 70 207.525 8.009 7.019 624 2HG1 ILE 70 HG11 ILE 70 208.524 9.437 6.788 625 1HG2 ILE 70 HG21 ILE 70 206.657 8.366 10.287 626 2HG2 ILE 70 HG22 ILE 70 208.011 7.257 10.083 627 3HG2 ILE 70 HG23 ILE 70 206.747 7.337 8.859 628 1HD1 ILE 70 HD11 ILE 70 209.874 7.293 8.217 629 2HD1 ILE 70 HD12 ILE 70 210.410 8.280 6.856 630 3HD1 ILE 70 HD13 ILE 70 209.381 6.876 6.576 631 H HIS 71 HN HIS 71 207.998 12.560 7.868 632 HA HIS 71 HA HIS 71 209.105 14.422 8.522 633 1HB HIS 71 HB2 HIS 71 209.397 13.258 11.292 634 2HB HIS 71 HB1 HIS 71 209.434 14.954 10.822 635 HD1 HIS 71 HD1 HIS 71 206.729 14.095 8.950 636 HD2 HIS 71 HD2 HIS 71 207.280 14.187 13.067 637 HE1 HIS 71 HE1 HIS 71 204.422 14.283 9.933 638 HE2 HIS 71 HE2 HIS 71 204.776 14.251 12.427 639 H LEU 72 HN LEU 72 210.401 12.676 7.158 640 HA LEU 72 HA LEU 72 213.093 12.587 8.350 641 1HB LEU 72 HB2 LEU 72 211.905 10.626 6.400 642 2HB LEU 72 HB1 LEU 72 213.518 10.551 7.089 643 HG LEU 72 HG LEU 72 210.880 10.012 8.419 644 1HD1 LEU 72 HD11 LEU 72 211.711 7.889 8.798 645 2HD1 LEU 72 HD12 LEU 72 213.390 8.405 8.640 646 3HD1 LEU 72 HD13 LEU 72 212.369 8.277 7.209 647 1HD2 LEU 72 HD21 LEU 72 213.320 11.113 9.632 648 2HD2 LEU 72 HD22 LEU 72 212.657 9.691 10.435 649 3HD2 LEU 72 HD23 LEU 72 211.656 11.127 10.212 650 H ARG 73 HN ARG 73 214.734 13.407 7.121 651 HA ARG 73 HA ARG 73 214.043 14.288 4.397 652 1HB ARG 73 HB2 ARG 73 215.703 16.216 4.972 653 2HB ARG 73 HB1 ARG 73 214.030 16.308 5.505 654 1HG ARG 73 HG2 ARG 73 216.140 15.167 7.290 655 2HG ARG 73 HG1 ARG 73 215.907 16.911 7.160 656 1HD ARG 73 HD2 ARG 73 213.434 15.389 7.547 657 2HD ARG 73 HD1 ARG 73 214.574 15.268 8.885 658 HE ARG 73 HE ARG 73 214.134 17.960 7.980 659 1HH1 ARG 73 HH11 ARG 73 212.984 15.424 10.083 660 2HH1 ARG 73 HH12 ARG 73 212.189 16.513 11.170 661 1HH2 ARG 73 HH21 ARG 73 213.090 19.395 9.408 662 2HH2 ARG 73 HH22 ARG 73 212.249 18.768 10.786 663 H ALA 74 HN ALA 74 215.123 12.171 3.910 664 HA ALA 74 HA ALA 74 216.876 11.034 3.006 665 1HB ALA 74 HB1 ALA 74 218.349 13.659 3.071 666 2HB ALA 74 HB2 ALA 74 217.192 13.201 1.822 667 3HB ALA 74 HB3 ALA 74 218.675 12.272 2.033 668 H GLU 75 HN GLU 75 218.572 13.423 5.044 669 HA GLU 75 HA GLU 75 220.590 11.831 5.962 670 1HB GLU 75 HB2 GLU 75 219.092 14.002 7.433 671 2HB GLU 75 HB1 GLU 75 220.581 13.279 8.026 672 1HG GLU 75 HG2 GLU 75 220.764 14.227 5.275 673 2HG GLU 75 HG1 GLU 75 220.398 15.498 6.441 674 H ASP 76 HN ASP 76 217.255 11.859 6.979 675 HA ASP 76 HA ASP 76 217.655 10.212 9.295 676 1HB ASP 76 HB2 ASP 76 215.250 11.168 7.769 677 2HB ASP 76 HB1 ASP 76 215.084 9.930 9.011 678 H ALA 77 HN ALA 77 216.849 8.047 9.530 679 HA ALA 77 HA ALA 77 217.466 6.442 7.192 680 1HB ALA 77 HB1 ALA 77 218.524 5.854 9.300 681 2HB ALA 77 HB2 ALA 77 217.478 4.549 8.738 682 3HB ALA 77 HB3 ALA 77 216.943 5.610 10.042 683 H LEU 78 HN LEU 78 216.116 5.084 6.179 684 HA LEU 78 HA LEU 78 213.510 4.417 7.135 685 1HB LEU 78 HB2 LEU 78 213.036 6.682 6.403 686 2HB LEU 78 HB1 LEU 78 213.746 6.353 4.834 687 HG LEU 78 HG LEU 78 211.956 4.661 4.439 688 1HD1 LEU 78 HD11 LEU 78 211.190 3.988 6.509 689 2HD1 LEU 78 HD12 LEU 78 209.905 5.069 5.969 690 3HD1 LEU 78 HD13 LEU 78 211.104 5.637 7.131 691 1HD2 LEU 78 HD21 LEU 78 210.878 7.405 5.057 692 2HD2 LEU 78 HD22 LEU 78 210.260 6.250 3.876 693 3HD2 LEU 78 HD23 LEU 78 211.830 7.014 3.626 694 H PHE 79 HN PHE 79 213.448 2.353 6.554 695 HA PHE 79 HA PHE 79 214.332 1.634 3.834 696 1HB PHE 79 HB2 PHE 79 214.293 -0.157 6.277 697 2HB PHE 79 HB1 PHE 79 214.883 -0.588 4.677 698 HD1 PHE 79 HD1 PHE 79 217.108 -0.263 4.116 699 HD2 PHE 79 HD2 PHE 79 215.496 1.722 7.516 700 HE1 PHE 79 HE1 PHE 79 219.369 0.470 4.755 701 HE2 PHE 79 HE2 PHE 79 217.753 2.463 8.159 702 HZ PHE 79 HZ PHE 79 219.692 1.836 6.778 703 H PHE 80 HN PHE 80 212.874 0.672 2.537 704 HA PHE 80 HA PHE 80 210.179 0.351 3.534 705 1HB PHE 80 HB2 PHE 80 211.431 0.277 0.807 706 2HB PHE 80 HB1 PHE 80 209.796 -0.324 1.052 707 HD1 PHE 80 HD1 PHE 80 209.176 1.814 3.263 708 HD2 PHE 80 HD2 PHE 80 210.743 2.010 -0.689 709 HE1 PHE 80 HE1 PHE 80 208.316 4.107 3.041 710 HE2 PHE 80 HE2 PHE 80 209.882 4.300 -0.917 711 HZ PHE 80 HZ PHE 80 208.667 5.350 0.948 712 H PHE 81 HN PHE 81 208.990 -1.534 3.544 713 HA PHE 81 HA PHE 81 210.433 -4.016 2.995 714 1HB PHE 81 HB2 PHE 81 208.918 -3.426 5.543 715 2HB PHE 81 HB1 PHE 81 209.581 -4.998 5.099 716 HD1 PHE 81 HD1 PHE 81 210.386 -1.584 6.150 717 HD2 PHE 81 HD2 PHE 81 211.937 -5.436 5.230 718 HE1 PHE 81 HE1 PHE 81 212.544 -0.946 7.142 719 HE2 PHE 81 HE2 PHE 81 214.098 -4.810 6.227 720 HZ PHE 81 HZ PHE 81 214.411 -2.560 7.175 721 H VAL 82 HN VAL 82 209.298 -4.984 1.469 722 HA VAL 82 HA VAL 82 206.359 -4.960 1.676 723 HB VAL 82 HB VAL 82 207.306 -3.778 -0.337 724 1HG1 VAL 82 HG11 VAL 82 208.255 -5.046 -2.140 725 2HG1 VAL 82 HG12 VAL 82 208.059 -6.551 -1.243 726 3HG1 VAL 82 HG13 VAL 82 209.206 -5.334 -0.683 727 1HG2 VAL 82 HG21 VAL 82 205.034 -5.008 -0.125 728 2HG2 VAL 82 HG22 VAL 82 205.750 -6.161 -1.250 729 3HG2 VAL 82 HG23 VAL 82 205.579 -4.467 -1.714 730 H ASN 83 HN ASN 83 205.499 -6.871 2.154 731 HA ASN 83 HA ASN 83 205.221 -9.121 2.388 732 1HB ASN 83 HB2 ASN 83 207.348 -9.458 0.262 733 2HB ASN 83 HB1 ASN 83 206.110 -10.621 0.728 734 1HD2 ASN 83 HD21 ASN 83 205.972 -10.411 -1.738 735 2HD2 ASN 83 HD22 ASN 83 204.800 -9.285 -2.326 736 H ASN 84 HN ASN 84 207.411 -7.444 3.632 737 HA ASN 84 HA ASN 84 208.707 -7.857 5.477 738 1HB ASN 84 HB2 ASN 84 207.668 -10.222 5.442 739 2HB ASN 84 HB1 ASN 84 209.150 -10.708 4.622 740 1HD2 ASN 84 HD21 ASN 84 208.292 -8.636 7.379 741 2HD2 ASN 84 HD22 ASN 84 209.447 -9.320 8.467 742 H VAL 85 HN VAL 85 209.481 -7.780 2.327 743 HA VAL 85 HA VAL 85 212.357 -8.076 2.854 744 HB VAL 85 HB VAL 85 211.469 -9.636 1.199 745 1HG1 VAL 85 HG11 VAL 85 210.329 -7.214 0.071 746 2HG1 VAL 85 HG12 VAL 85 209.848 -8.897 -0.143 747 3HG1 VAL 85 HG13 VAL 85 211.152 -8.220 -1.120 748 1HG2 VAL 85 HG21 VAL 85 213.818 -8.638 1.168 749 2HG2 VAL 85 HG22 VAL 85 213.254 -7.699 -0.215 750 3HG2 VAL 85 HG23 VAL 85 213.261 -9.461 -0.289 751 H ILE 86 HN ILE 86 213.766 -6.682 1.675 752 HA ILE 86 HA ILE 86 212.722 -3.959 1.564 753 HB ILE 86 HB ILE 86 215.570 -4.945 1.489 754 1HG1 ILE 86 HG12 ILE 86 213.696 -4.145 3.671 755 2HG1 ILE 86 HG11 ILE 86 214.914 -5.415 3.649 756 1HG2 ILE 86 HG21 ILE 86 216.189 -2.616 1.861 757 2HG2 ILE 86 HG22 ILE 86 214.491 -2.143 1.812 758 3HG2 ILE 86 HG23 ILE 86 215.270 -2.782 0.365 759 1HD1 ILE 86 HD11 ILE 86 216.663 -3.754 3.882 760 2HD1 ILE 86 HD12 ILE 86 215.489 -3.631 5.191 761 3HD1 ILE 86 HD13 ILE 86 215.455 -2.470 3.866 762 HA PRO 87 HA PRO 87 212.781 -4.351 -2.922 763 1HB PRO 87 HB2 PRO 87 211.628 -1.979 -3.476 764 2HB PRO 87 HB1 PRO 87 210.699 -3.353 -2.866 765 1HG PRO 87 HG2 PRO 87 211.754 -0.975 -1.385 766 2HG PRO 87 HG1 PRO 87 210.167 -1.756 -1.260 767 1HD PRO 87 HD2 PRO 87 212.194 -2.193 0.509 768 2HD PRO 87 HD1 PRO 87 210.952 -3.404 0.134 769 HA PRO 88 HA PRO 88 216.469 -2.097 -3.906 770 1HB PRO 88 HB2 PRO 88 215.772 -2.287 -6.736 771 2HB PRO 88 HB1 PRO 88 217.067 -3.096 -5.852 772 1HG PRO 88 HG2 PRO 88 214.919 -4.428 -6.813 773 2HG PRO 88 HG1 PRO 88 215.754 -4.910 -5.324 774 1HD PRO 88 HD2 PRO 88 213.212 -3.355 -5.651 775 2HD PRO 88 HD1 PRO 88 213.594 -4.669 -4.516 776 H THR 89 HN THR 89 216.945 0.017 -4.030 777 HA THR 89 HA THR 89 214.992 1.986 -4.368 778 HB THR 89 HB THR 89 217.040 3.525 -4.670 779 HG1 THR 89 HG1 THR 89 218.376 1.680 -5.350 780 1HG2 THR 89 HG21 THR 89 217.294 1.892 -2.192 781 2HG2 THR 89 HG22 THR 89 215.845 2.858 -2.471 782 3HG2 THR 89 HG23 THR 89 217.427 3.636 -2.411 783 H SER 90 HN SER 90 216.946 0.319 -6.686 784 HA SER 90 HA SER 90 216.603 2.242 -8.792 785 1HB SER 90 HB2 SER 90 218.459 0.395 -8.465 786 2HB SER 90 HB1 SER 90 217.305 -0.616 -9.335 787 HG SER 90 HG SER 90 217.361 0.875 -11.035 788 H ALA 91 HN ALA 91 214.989 -0.684 -7.721 789 HA ALA 91 HA ALA 91 213.427 -1.197 -9.983 790 1HB ALA 91 HB1 ALA 91 211.951 -2.439 -8.486 791 2HB ALA 91 HB2 ALA 91 212.727 -1.691 -7.091 792 3HB ALA 91 HB3 ALA 91 213.646 -2.777 -8.134 793 H THR 92 HN THR 92 211.193 -0.756 -10.391 794 HA THR 92 HA THR 92 210.394 1.898 -9.422 795 HB THR 92 HB THR 92 208.977 2.019 -11.414 796 HG1 THR 92 HG1 THR 92 210.006 -0.560 -11.984 797 1HG2 THR 92 HG21 THR 92 211.851 1.711 -11.559 798 2HG2 THR 92 HG22 THR 92 210.793 2.884 -12.343 799 3HG2 THR 92 HG23 THR 92 211.051 1.301 -13.078 800 H MET 93 HN MET 93 208.314 2.295 -8.672 801 HA MET 93 HA MET 93 207.131 0.485 -6.999 802 1HB MET 93 HB2 MET 93 205.872 2.786 -8.494 803 2HB MET 93 HB1 MET 93 205.052 1.902 -7.216 804 1HG MET 93 HG2 MET 93 207.534 3.574 -6.986 805 2HG MET 93 HG1 MET 93 205.946 3.903 -6.301 806 1HE MET 93 HE1 MET 93 205.722 0.794 -3.805 807 2HE MET 93 HE2 MET 93 205.784 0.351 -5.512 808 3HE MET 93 HE3 MET 93 204.809 1.725 -4.992 809 H GLY 94 HN GLY 94 206.591 0.904 -10.442 810 1HA GLY 94 HA2 GLY 94 204.264 -0.663 -10.686 811 2HA GLY 94 HA1 GLY 94 205.428 -0.358 -11.968 812 H GLN 95 HN GLN 95 207.696 -1.546 -10.987 813 HA GLN 95 HA GLN 95 207.281 -4.248 -11.612 814 1HB GLN 95 HB2 GLN 95 209.589 -2.844 -10.266 815 2HB GLN 95 HB1 GLN 95 209.621 -4.549 -10.694 816 1HG GLN 95 HG2 GLN 95 209.359 -4.006 -13.033 817 2HG GLN 95 HG1 GLN 95 209.212 -2.293 -12.642 818 1HE2 GLN 95 HE21 GLN 95 211.418 -5.019 -12.095 819 2HE2 GLN 95 HE22 GLN 95 212.870 -4.112 -12.329 820 H LEU 96 HN LEU 96 207.379 -2.516 -8.576 821 HA LEU 96 HA LEU 96 207.474 -4.808 -6.897 822 1HB LEU 96 HB2 LEU 96 206.354 -2.077 -6.256 823 2HB LEU 96 HB1 LEU 96 206.841 -3.300 -5.099 824 HG LEU 96 HG LEU 96 208.618 -1.665 -6.899 825 1HD1 LEU 96 HD11 LEU 96 209.660 -1.114 -4.679 826 2HD1 LEU 96 HD12 LEU 96 208.285 -1.916 -3.920 827 3HD1 LEU 96 HD13 LEU 96 208.030 -0.490 -4.925 828 1HD2 LEU 96 HD21 LEU 96 209.317 -4.069 -6.819 829 2HD2 LEU 96 HD22 LEU 96 209.491 -3.897 -5.073 830 3HD2 LEU 96 HD23 LEU 96 210.496 -2.937 -6.158 831 H TYR 97 HN TYR 97 204.844 -2.747 -8.083 832 HA TYR 97 HA TYR 97 202.751 -4.087 -6.765 833 1HB TYR 97 HB2 TYR 97 202.427 -1.878 -7.732 834 2HB TYR 97 HB1 TYR 97 202.718 -2.516 -9.348 835 HD1 TYR 97 HD1 TYR 97 200.264 -1.777 -6.903 836 HD2 TYR 97 HD2 TYR 97 201.102 -4.368 -10.166 837 HE1 TYR 97 HE1 TYR 97 197.859 -2.251 -7.133 838 HE2 TYR 97 HE2 TYR 97 198.702 -4.848 -10.412 839 HH TYR 97 HH TYR 97 196.278 -3.111 -8.584 840 H GLN 98 HN GLN 98 204.508 -4.780 -9.698 841 HA GLN 98 HA GLN 98 202.582 -6.733 -10.597 842 1HB GLN 98 HB2 GLN 98 205.337 -6.038 -11.596 843 2HB GLN 98 HB1 GLN 98 204.262 -7.202 -12.357 844 1HG GLN 98 HG2 GLN 98 202.634 -5.066 -12.244 845 2HG GLN 98 HG1 GLN 98 204.197 -4.264 -12.388 846 1HE2 GLN 98 HE21 GLN 98 204.399 -3.644 -14.420 847 2HE2 GLN 98 HE22 GLN 98 204.115 -4.626 -15.812 848 H GLU 99 HN GLU 99 205.449 -6.692 -8.647 849 HA GLU 99 HA GLU 99 205.446 -9.639 -8.629 850 1HB GLU 99 HB2 GLU 99 207.699 -7.676 -8.347 851 2HB GLU 99 HB1 GLU 99 207.860 -9.363 -7.875 852 1HG GLU 99 HG2 GLU 99 206.828 -9.565 -10.393 853 2HG GLU 99 HG1 GLU 99 207.857 -8.138 -10.522 854 H HIS 100 HN HIS 100 204.257 -7.300 -6.767 855 HA HIS 100 HA HIS 100 204.755 -8.849 -4.350 856 1HB HIS 100 HB2 HIS 100 205.331 -5.892 -4.518 857 2HB HIS 100 HB1 HIS 100 205.260 -6.812 -3.022 858 HD1 HIS 100 HD1 HIS 100 207.334 -8.042 -2.331 859 HD2 HIS 100 HD2 HIS 100 207.529 -6.657 -6.243 860 HE1 HIS 100 HE1 HIS 100 209.703 -8.447 -3.070 861 HE2 HIS 100 HE2 HIS 100 209.819 -7.524 -5.411 862 H HIS 101 HN HIS 101 202.492 -7.558 -6.278 863 HA HIS 101 HA HIS 101 200.789 -6.331 -4.322 864 1HB HIS 101 HB2 HIS 101 199.135 -6.190 -6.054 865 2HB HIS 101 HB1 HIS 101 200.691 -5.790 -6.764 866 HD1 HIS 101 HD1 HIS 101 201.855 -7.992 -8.026 867 HD2 HIS 101 HD2 HIS 101 197.736 -7.994 -7.484 868 HE1 HIS 101 HE1 HIS 101 200.964 -9.690 -9.650 869 HE2 HIS 101 HE2 HIS 101 198.464 -9.618 -9.360 870 H GLU 102 HN GLU 102 199.883 -7.456 -2.745 871 HA GLU 102 HA GLU 102 199.442 -10.288 -2.952 872 1HB GLU 102 HB2 GLU 102 198.618 -8.349 -0.782 873 2HB GLU 102 HB1 GLU 102 198.590 -10.104 -0.657 874 1HG GLU 102 HG2 GLU 102 201.193 -9.101 -1.447 875 2HG GLU 102 HG1 GLU 102 200.650 -8.431 0.091 876 H GLU 103 HN GLU 103 198.024 -9.653 -4.956 877 HA GLU 103 HA GLU 103 195.973 -9.686 -5.939 878 1HB GLU 103 HB2 GLU 103 195.835 -11.398 -3.749 879 2HB GLU 103 HB1 GLU 103 194.392 -10.403 -3.606 880 1HG GLU 103 HG2 GLU 103 193.475 -11.204 -5.540 881 2HG GLU 103 HG1 GLU 103 195.041 -11.588 -6.253 882 H ASP 104 HN ASP 104 193.438 -9.088 -5.107 883 HA ASP 104 HA ASP 104 192.027 -7.334 -4.767 884 1HB ASP 104 HB2 ASP 104 193.977 -6.158 -2.813 885 2HB ASP 104 HB1 ASP 104 192.220 -6.148 -2.772 886 H PHE 105 HN PHE 105 194.473 -7.083 -6.612 887 HA PHE 105 HA PHE 105 195.470 -5.504 -7.928 888 1HB PHE 105 HB2 PHE 105 192.816 -4.181 -7.355 889 2HB PHE 105 HB1 PHE 105 193.964 -3.576 -8.545 890 HD1 PHE 105 HD1 PHE 105 191.057 -5.364 -8.221 891 HD2 PHE 105 HD2 PHE 105 194.851 -5.608 -10.141 892 HE1 PHE 105 HE1 PHE 105 190.103 -6.872 -9.913 893 HE2 PHE 105 HE2 PHE 105 193.900 -7.118 -11.834 894 HZ PHE 105 HZ PHE 105 191.523 -7.752 -11.721 895 H PHE 106 HN PHE 106 195.845 -5.319 -4.960 896 HA PHE 106 HA PHE 106 196.580 -2.478 -4.781 897 1HB PHE 106 HB2 PHE 106 195.274 -4.299 -2.899 898 2HB PHE 106 HB1 PHE 106 196.628 -3.422 -2.194 899 HD1 PHE 106 HD1 PHE 106 194.515 -2.096 -4.885 900 HD2 PHE 106 HD2 PHE 106 195.349 -2.080 -0.711 901 HE1 PHE 106 HE1 PHE 106 193.081 -0.101 -4.602 902 HE2 PHE 106 HE2 PHE 106 193.917 -0.098 -0.423 903 HZ PHE 106 HZ PHE 106 192.783 0.892 -2.371 904 H LEU 107 HN LEU 107 198.452 -1.957 -3.566 905 HA LEU 107 HA LEU 107 200.505 -4.061 -3.443 906 1HB LEU 107 HB2 LEU 107 200.968 -2.759 -5.417 907 2HB LEU 107 HB1 LEU 107 200.723 -1.256 -4.555 908 HG LEU 107 HG LEU 107 203.099 -1.659 -5.047 909 1HD1 LEU 107 HD11 LEU 107 202.135 -0.606 -2.853 910 2HD1 LEU 107 HD12 LEU 107 203.860 -0.836 -3.100 911 3HD1 LEU 107 HD13 LEU 107 202.949 -1.983 -2.120 912 1HD2 LEU 107 HD21 LEU 107 203.987 -3.549 -3.305 913 2HD2 LEU 107 HD22 LEU 107 203.703 -3.828 -5.024 914 3HD2 LEU 107 HD23 LEU 107 202.468 -4.266 -3.844 915 H TYR 108 HN TYR 108 200.702 -4.308 -1.235 916 HA TYR 108 HA TYR 108 200.707 -1.855 0.374 917 1HB TYR 108 HB2 TYR 108 199.785 -3.011 2.118 918 2HB TYR 108 HB1 TYR 108 199.186 -3.984 0.784 919 HD1 TYR 108 HD1 TYR 108 201.584 -5.611 0.139 920 HD2 TYR 108 HD2 TYR 108 199.923 -4.422 3.852 921 HE1 TYR 108 HE1 TYR 108 202.561 -7.610 1.193 922 HE2 TYR 108 HE2 TYR 108 200.896 -6.418 4.939 923 HH TYR 108 HH TYR 108 202.775 -7.996 4.542 924 H ILE 109 HN ILE 109 202.339 -1.218 1.603 925 HA ILE 109 HA ILE 109 204.801 -2.827 1.617 926 HB ILE 109 HB ILE 109 204.561 0.086 0.894 927 1HG1 ILE 109 HG12 ILE 109 204.878 -2.420 -0.692 928 2HG1 ILE 109 HG11 ILE 109 203.872 -1.012 -0.988 929 1HG2 ILE 109 HG21 ILE 109 207.016 -0.161 0.330 930 2HG2 ILE 109 HG22 ILE 109 206.978 -1.675 1.234 931 3HG2 ILE 109 HG23 ILE 109 206.612 -0.150 2.044 932 1HD1 ILE 109 HD11 ILE 109 205.646 -1.218 -2.640 933 2HD1 ILE 109 HD12 ILE 109 206.852 -1.133 -1.353 934 3HD1 ILE 109 HD13 ILE 109 205.818 0.257 -1.686 935 H ALA 110 HN ALA 110 206.457 -1.917 3.126 936 HA ALA 110 HA ALA 110 205.300 -0.451 5.403 937 1HB ALA 110 HB1 ALA 110 206.799 -1.951 6.850 938 2HB ALA 110 HB2 ALA 110 206.790 -3.047 5.469 939 3HB ALA 110 HB3 ALA 110 205.275 -2.614 6.262 940 H TYR 111 HN TYR 111 206.997 0.409 6.847 941 HA TYR 111 HA TYR 111 209.596 0.818 5.599 942 1HB TYR 111 HB2 TYR 111 209.470 3.199 5.518 943 2HB TYR 111 HB1 TYR 111 208.040 2.585 4.699 944 HD1 TYR 111 HD1 TYR 111 205.873 3.113 5.484 945 HD2 TYR 111 HD2 TYR 111 209.261 4.084 7.826 946 HE1 TYR 111 HE1 TYR 111 204.441 4.445 6.970 947 HE2 TYR 111 HE2 TYR 111 207.854 5.418 9.342 948 HH TYR 111 HH TYR 111 204.495 5.251 9.340 949 H SER 112 HN SER 112 211.187 0.939 7.063 950 HA SER 112 HA SER 112 210.524 1.612 9.860 951 1HB SER 112 HB2 SER 112 210.716 -0.872 9.520 952 2HB SER 112 HB1 SER 112 212.395 -0.618 9.051 953 HG SER 112 HG SER 112 212.914 -0.190 11.066 954 H ASP 113 HN ASP 113 212.589 1.943 11.155 955 HA ASP 113 HA ASP 113 214.308 3.735 9.630 956 1HB ASP 113 HB2 ASP 113 213.280 4.493 11.767 957 2HB ASP 113 HB1 ASP 113 214.205 3.258 12.616 958 H GLU 114 HN GLU 114 214.351 0.590 9.979 959 HA GLU 114 HA GLU 114 217.280 0.436 10.125 960 1HB GLU 114 HB2 GLU 114 215.332 -1.431 11.488 961 2HB GLU 114 HB1 GLU 114 217.054 -1.746 11.319 962 1HG GLU 114 HG2 GLU 114 217.072 0.722 12.450 963 2HG GLU 114 HG1 GLU 114 215.628 0.015 13.173 964 H SER 115 HN SER 115 217.955 -1.877 9.361 965 HA SER 115 HA SER 115 216.850 -2.162 6.714 966 1HB SER 115 HB2 SER 115 218.654 -3.785 6.344 967 2HB SER 115 HB1 SER 115 219.279 -2.299 7.059 968 HG SER 115 HG SER 115 219.234 -3.380 9.094 969 H VAL 116 HN VAL 116 215.747 -3.301 9.547 970 HA VAL 116 HA VAL 116 214.835 -5.832 8.374 971 HB VAL 116 HB VAL 116 214.130 -5.729 11.128 972 1HG1 VAL 116 HG11 VAL 116 214.422 -7.810 10.135 973 2HG1 VAL 116 HG12 VAL 116 215.826 -7.662 11.192 974 3HG1 VAL 116 HG13 VAL 116 215.994 -7.379 9.460 975 1HG2 VAL 116 HG21 VAL 116 217.016 -5.013 10.623 976 2HG2 VAL 116 HG22 VAL 116 216.425 -5.691 12.139 977 3HG2 VAL 116 HG23 VAL 116 215.836 -4.123 11.586 978 H TYR 117 HN TYR 117 212.586 -6.350 8.806 979 HA TYR 117 HA TYR 117 210.874 -4.195 8.231 980 1HB TYR 117 HB2 TYR 117 210.174 -6.367 7.529 981 2HB TYR 117 HB1 TYR 117 210.295 -7.009 9.166 982 HD1 TYR 117 HD1 TYR 117 208.674 -3.949 7.787 983 HD2 TYR 117 HD2 TYR 117 208.178 -7.606 9.897 984 HE1 TYR 117 HE1 TYR 117 206.318 -3.388 8.183 985 HE2 TYR 117 HE2 TYR 117 205.815 -7.057 10.300 986 HH TYR 117 HH TYR 117 204.232 -4.458 8.708 987 H GLY 118 HN GLY 118 211.749 -2.834 10.061 988 1HA GLY 118 HA2 GLY 118 211.267 -1.701 12.002 989 2HA GLY 118 HA1 GLY 118 209.767 -2.610 12.068 990 H LEU 119 HN LEU 119 210.097 -4.961 12.682 991 HA LEU 119 HA LEU 119 210.526 -5.493 15.171 992 1HB LEU 119 HB2 LEU 119 211.455 -7.083 12.814 993 2HB LEU 119 HB1 LEU 119 211.668 -7.702 14.444 994 HG LEU 119 HG LEU 119 208.957 -6.741 13.987 995 1HD1 LEU 119 HD11 LEU 119 209.337 -9.284 12.571 996 2HD1 LEU 119 HD12 LEU 119 209.978 -7.871 11.734 997 3HD1 LEU 119 HD13 LEU 119 208.277 -7.924 12.201 998 1HD2 LEU 119 HD21 LEU 119 208.390 -8.865 14.996 999 2HD2 LEU 119 HD22 LEU 119 209.696 -8.091 15.896 1000 3HD2 LEU 119 HD23 LEU 119 210.051 -9.429 14.802 Start of MODEL 13 1 1H GLY 1 HT1 GLY 1 205.490 -16.550 6.335 2 2H GLY 1 HT2 GLY 1 205.323 -16.235 4.682 3 3H GLY 1 HT3 GLY 1 203.955 -16.559 5.623 4 1HA GLY 1 HA1 GLY 1 205.421 -14.094 5.273 5 2HA GLY 1 HA2 GLY 1 203.731 -14.344 5.687 6 H SER 2 HN SER 2 205.443 -12.412 6.871 7 HA SER 2 HA SER 2 205.064 -13.128 9.646 8 1HB SER 2 HB2 SER 2 207.809 -12.137 9.007 9 2HB SER 2 HB1 SER 2 207.257 -13.113 10.369 10 HG SER 2 HG SER 2 207.083 -14.880 8.953 11 H MET 3 HN MET 3 204.130 -11.123 7.644 12 HA MET 3 HA MET 3 205.120 -8.644 8.843 13 1HB MET 3 HB2 MET 3 203.665 -9.287 6.304 14 2HB MET 3 HB1 MET 3 203.569 -7.665 6.969 15 1HG MET 3 HG2 MET 3 206.148 -7.784 7.022 16 2HG MET 3 HG1 MET 3 205.941 -9.123 5.895 17 1HE MET 3 HE1 MET 3 205.541 -4.678 5.077 18 2HE MET 3 HE2 MET 3 206.903 -5.512 5.835 19 3HE MET 3 HE3 MET 3 205.346 -5.425 6.661 20 H LYS 4 HN LYS 4 203.738 -7.121 9.778 21 HA LYS 4 HA LYS 4 201.062 -8.132 10.496 22 1HB LYS 4 HB2 LYS 4 203.077 -6.627 12.161 23 2HB LYS 4 HB1 LYS 4 201.380 -6.739 12.610 24 1HG LYS 4 HG2 LYS 4 202.312 -8.456 13.819 25 2HG LYS 4 HG1 LYS 4 201.748 -9.295 12.374 26 1HD LYS 4 HD2 LYS 4 203.815 -10.018 11.996 27 2HD LYS 4 HD1 LYS 4 204.365 -8.349 11.840 28 1HE LYS 4 HE2 LYS 4 204.170 -9.925 14.405 29 2HE LYS 4 HE1 LYS 4 205.653 -9.551 13.529 30 1HZ LYS 4 HZ1 LYS 4 204.726 -8.079 15.533 31 2HZ LYS 4 HZ2 LYS 4 203.989 -7.279 14.238 32 3HZ LYS 4 HZ3 LYS 4 205.671 -7.444 14.280 33 H PHE 5 HN PHE 5 199.511 -6.958 9.577 34 HA PHE 5 HA PHE 5 199.941 -4.056 9.281 35 1HB PHE 5 HB2 PHE 5 198.802 -6.042 7.337 36 2HB PHE 5 HB1 PHE 5 198.353 -4.343 7.249 37 HD1 PHE 5 HD1 PHE 5 201.494 -6.310 7.689 38 HD2 PHE 5 HD2 PHE 5 199.500 -3.128 5.694 39 HE1 PHE 5 HE1 PHE 5 203.532 -5.838 6.407 40 HE2 PHE 5 HE2 PHE 5 201.540 -2.654 4.404 41 HZ PHE 5 HZ PHE 5 203.562 -4.011 4.760 42 H VAL 6 HN VAL 6 197.933 -2.790 9.098 43 HA VAL 6 HA VAL 6 195.672 -4.029 10.512 44 HB VAL 6 HB VAL 6 195.613 -1.289 11.160 45 1HG1 VAL 6 HG11 VAL 6 196.048 -2.222 13.493 46 2HG1 VAL 6 HG12 VAL 6 196.127 -3.800 12.708 47 3HG1 VAL 6 HG13 VAL 6 194.651 -2.837 12.607 48 1HG2 VAL 6 HG21 VAL 6 197.760 -1.159 12.512 49 2HG2 VAL 6 HG22 VAL 6 197.900 -0.929 10.770 50 3HG2 VAL 6 HG23 VAL 6 198.354 -2.471 11.494 51 H TYR 7 HN TYR 7 196.302 -0.785 9.131 52 HA TYR 7 HA TYR 7 193.787 -0.329 8.145 53 1HB TYR 7 HB2 TYR 7 195.815 1.246 8.108 54 2HB TYR 7 HB1 TYR 7 196.230 0.485 6.575 55 HD1 TYR 7 HD1 TYR 7 195.363 1.352 4.604 56 HD2 TYR 7 HD2 TYR 7 193.394 2.212 8.278 57 HE1 TYR 7 HE1 TYR 7 193.845 2.887 3.426 58 HE2 TYR 7 HE2 TYR 7 191.871 3.747 7.109 59 HH TYR 7 HH TYR 7 192.399 4.748 3.864 60 H LYS 8 HN LYS 8 196.491 -1.615 6.182 61 HA LYS 8 HA LYS 8 195.007 -2.329 3.945 62 1HB LYS 8 HB2 LYS 8 196.978 -3.160 3.191 63 2HB LYS 8 HB1 LYS 8 197.643 -2.495 4.677 64 1HG LYS 8 HG2 LYS 8 198.471 -4.653 4.645 65 2HG LYS 8 HG1 LYS 8 197.066 -4.793 5.702 66 1HD LYS 8 HD2 LYS 8 195.881 -6.024 4.188 67 2HD LYS 8 HD1 LYS 8 196.650 -5.253 2.800 68 1HE LYS 8 HE2 LYS 8 197.701 -7.246 2.637 69 2HE LYS 8 HE1 LYS 8 198.770 -6.527 3.842 70 1HZ LYS 8 HZ1 LYS 8 196.388 -8.063 4.662 71 2HZ LYS 8 HZ2 LYS 8 197.795 -7.735 5.544 72 3HZ LYS 8 HZ3 LYS 8 197.834 -8.853 4.275 73 H GLU 9 HN GLU 9 195.372 -3.845 7.035 74 HA GLU 9 HA GLU 9 194.116 -6.314 6.318 75 1HB GLU 9 HB2 GLU 9 195.786 -5.424 8.361 76 2HB GLU 9 HB1 GLU 9 194.253 -5.751 9.154 77 1HG GLU 9 HG2 GLU 9 194.677 -7.906 9.140 78 2HG GLU 9 HG1 GLU 9 194.821 -7.888 7.384 79 H GLU 10 HN GLU 10 193.160 -3.219 7.459 80 HA GLU 10 HA GLU 10 190.729 -4.006 8.714 81 1HB GLU 10 HB2 GLU 10 192.042 -1.435 8.002 82 2HB GLU 10 HB1 GLU 10 190.309 -1.412 8.304 83 1HG GLU 10 HG2 GLU 10 191.533 -2.915 10.372 84 2HG GLU 10 HG1 GLU 10 192.441 -1.416 10.173 85 H HIS 11 HN HIS 11 191.349 -2.219 5.653 86 HA HIS 11 HA HIS 11 188.604 -2.477 4.886 87 1HB HIS 11 HB2 HIS 11 189.572 -1.780 2.562 88 2HB HIS 11 HB1 HIS 11 189.508 -0.621 3.882 89 HD1 HIS 11 HD1 HIS 11 191.833 -2.365 1.616 90 HD2 HIS 11 HD2 HIS 11 192.051 -0.005 5.026 91 HE1 HIS 11 HE1 HIS 11 194.224 -1.602 1.751 92 HE2 HIS 11 HE2 HIS 11 194.353 -0.252 3.874 93 HA PRO 12 HA PRO 12 188.770 -6.876 3.901 94 1HB PRO 12 HB2 PRO 12 186.491 -6.206 2.195 95 2HB PRO 12 HB1 PRO 12 186.580 -7.308 3.568 96 1HG PRO 12 HG2 PRO 12 185.533 -4.648 3.499 97 2HG PRO 12 HG1 PRO 12 185.616 -5.754 4.875 98 1HD PRO 12 HD2 PRO 12 187.051 -3.387 4.597 99 2HD PRO 12 HD1 PRO 12 187.418 -4.693 5.735 100 H PHE 13 HN PHE 13 188.519 -8.148 1.836 101 HA PHE 13 HA PHE 13 190.387 -7.235 -0.067 102 1HB PHE 13 HB2 PHE 13 189.748 -9.659 0.558 103 2HB PHE 13 HB1 PHE 13 188.429 -9.456 -0.590 104 HD1 PHE 13 HD1 PHE 13 189.002 -8.875 -2.986 105 HD2 PHE 13 HD2 PHE 13 191.904 -10.195 -0.167 106 HE1 PHE 13 HE1 PHE 13 190.508 -9.491 -4.829 107 HE2 PHE 13 HE2 PHE 13 193.415 -10.813 -2.006 108 HZ PHE 13 HZ PHE 13 192.718 -10.461 -4.341 109 H GLU 14 HN GLU 14 186.861 -7.666 -0.230 110 HA GLU 14 HA GLU 14 186.460 -6.823 -2.845 111 1HB GLU 14 HB2 GLU 14 184.849 -7.447 -0.618 112 2HB GLU 14 HB1 GLU 14 184.337 -5.854 -1.157 113 1HG GLU 14 HG2 GLU 14 183.561 -6.622 -3.157 114 2HG GLU 14 HG1 GLU 14 184.688 -7.978 -3.200 115 H LYS 15 HN LYS 15 187.374 -5.011 -0.074 116 HA LYS 15 HA LYS 15 186.552 -2.459 -1.156 117 1HB LYS 15 HB2 LYS 15 188.354 -2.918 1.217 118 2HB LYS 15 HB1 LYS 15 187.344 -1.519 0.873 119 1HG LYS 15 HG2 LYS 15 186.106 -4.203 1.260 120 2HG LYS 15 HG1 LYS 15 186.592 -3.229 2.645 121 1HD LYS 15 HD2 LYS 15 184.851 -1.861 2.415 122 2HD LYS 15 HD1 LYS 15 185.130 -1.681 0.682 123 1HE LYS 15 HE2 LYS 15 183.865 -3.597 0.174 124 2HE LYS 15 HE1 LYS 15 183.869 -4.142 1.851 125 1HZ LYS 15 HZ1 LYS 15 181.815 -3.236 1.790 126 2HZ LYS 15 HZ2 LYS 15 182.189 -2.148 0.550 127 3HZ LYS 15 HZ3 LYS 15 182.661 -1.812 2.138 128 H ARG 16 HN ARG 16 189.595 -4.197 -0.573 129 HA ARG 16 HA ARG 16 191.212 -2.114 -1.692 130 1HB ARG 16 HB2 ARG 16 192.472 -4.725 -1.821 131 2HB ARG 16 HB1 ARG 16 192.947 -3.301 -0.911 132 1HG ARG 16 HG2 ARG 16 191.217 -3.969 0.800 133 2HG ARG 16 HG1 ARG 16 191.083 -5.496 -0.068 134 1HD ARG 16 HD2 ARG 16 193.498 -5.860 0.252 135 2HD ARG 16 HD1 ARG 16 193.582 -4.365 1.181 136 HE ARG 16 HE ARG 16 191.692 -5.764 2.491 137 1HH1 ARG 16 HH11 ARG 16 194.916 -6.585 1.431 138 2HH1 ARG 16 HH12 ARG 16 195.189 -7.706 2.722 139 1HH2 ARG 16 HH21 ARG 16 192.051 -7.237 4.190 140 2HH2 ARG 16 HH22 ARG 16 193.564 -8.077 4.288 141 H ARG 17 HN ARG 17 189.868 -5.164 -2.846 142 HA ARG 17 HA ARG 17 191.045 -5.154 -5.406 143 1HB ARG 17 HB2 ARG 17 189.726 -7.026 -4.182 144 2HB ARG 17 HB1 ARG 17 188.304 -6.260 -4.876 145 1HG ARG 17 HG2 ARG 17 189.498 -6.478 -7.120 146 2HG ARG 17 HG1 ARG 17 190.590 -7.587 -6.287 147 1HD ARG 17 HD2 ARG 17 189.085 -9.231 -6.301 148 2HD ARG 17 HD1 ARG 17 187.800 -8.162 -5.742 149 HE ARG 17 HE ARG 17 188.482 -7.819 -8.516 150 1HH1 ARG 17 HH11 ARG 17 186.520 -9.599 -6.242 151 2HH1 ARG 17 HH12 ARG 17 185.317 -10.014 -7.416 152 1HH2 ARG 17 HH21 ARG 17 186.900 -8.365 -10.060 153 2HH2 ARG 17 HH22 ARG 17 185.532 -9.315 -9.583 154 H SER 18 HN SER 18 187.912 -3.985 -4.226 155 HA SER 18 HA SER 18 186.843 -3.040 -6.575 156 1HB SER 18 HB2 SER 18 185.389 -3.053 -4.732 157 2HB SER 18 HB1 SER 18 186.535 -2.190 -3.705 158 HG SER 18 HG SER 18 186.075 -0.315 -4.776 159 H GLU 19 HN GLU 19 188.612 -1.140 -4.140 160 HA GLU 19 HA GLU 19 188.811 1.222 -5.603 161 1HB GLU 19 HB2 GLU 19 189.822 0.173 -3.151 162 2HB GLU 19 HB1 GLU 19 191.141 0.953 -4.010 163 1HG GLU 19 HG2 GLU 19 190.231 3.017 -3.826 164 2HG GLU 19 HG1 GLU 19 188.576 2.410 -3.841 165 H GLY 20 HN GLY 20 191.096 -1.482 -5.334 166 1HA GLY 20 HA2 GLY 20 193.115 -0.411 -6.952 167 2HA GLY 20 HA1 GLY 20 192.852 -2.123 -6.660 168 H GLU 21 HN GLU 21 190.671 -2.842 -7.881 169 HA GLU 21 HA GLU 21 191.269 -3.032 -10.542 170 1HB GLU 21 HB2 GLU 21 189.718 -4.557 -9.721 171 2HB GLU 21 HB1 GLU 21 188.702 -3.304 -9.023 172 1HG GLU 21 HG2 GLU 21 187.601 -2.935 -10.944 173 2HG GLU 21 HG1 GLU 21 189.023 -3.232 -11.943 174 H LYS 22 HN LYS 22 189.755 -0.374 -8.902 175 HA LYS 22 HA LYS 22 188.862 0.807 -11.410 176 1HB LYS 22 HB2 LYS 22 187.261 1.187 -9.776 177 2HB LYS 22 HB1 LYS 22 188.454 1.447 -8.514 178 1HG LYS 22 HG2 LYS 22 188.299 3.403 -10.750 179 2HG LYS 22 HG1 LYS 22 187.048 3.431 -9.505 180 1HD LYS 22 HD2 LYS 22 189.329 3.255 -8.010 181 2HD LYS 22 HD1 LYS 22 189.862 4.242 -9.371 182 1HE LYS 22 HE2 LYS 22 188.069 5.816 -8.980 183 2HE LYS 22 HE1 LYS 22 187.416 4.798 -7.697 184 1HZ LYS 22 HZ1 LYS 22 188.627 6.463 -6.618 185 2HZ LYS 22 HZ2 LYS 22 189.930 6.357 -7.692 186 3HZ LYS 22 HZ3 LYS 22 189.649 5.115 -6.579 187 H ILE 23 HN ILE 23 191.075 1.527 -8.740 188 HA ILE 23 HA ILE 23 192.156 3.898 -9.775 189 HB ILE 23 HB ILE 23 193.194 1.821 -7.864 190 1HG1 ILE 23 HG12 ILE 23 192.719 4.686 -7.198 191 2HG1 ILE 23 HG11 ILE 23 191.322 3.650 -7.470 192 1HG2 ILE 23 HG21 ILE 23 194.610 4.429 -8.192 193 2HG2 ILE 23 HG22 ILE 23 195.057 3.051 -9.196 194 3HG2 ILE 23 HG23 ILE 23 195.171 2.940 -7.442 195 1HD1 ILE 23 HD11 ILE 23 191.506 2.785 -5.448 196 2HD1 ILE 23 HD12 ILE 23 192.776 3.964 -5.118 197 3HD1 ILE 23 HD13 ILE 23 193.196 2.362 -5.723 198 H ARG 24 HN ARG 24 192.689 0.567 -10.566 199 HA ARG 24 HA ARG 24 195.170 1.002 -11.965 200 1HB ARG 24 HB2 ARG 24 193.284 -1.361 -11.900 201 2HB ARG 24 HB1 ARG 24 194.862 -1.359 -12.680 202 1HG ARG 24 HG2 ARG 24 194.418 -0.866 -9.744 203 2HG ARG 24 HG1 ARG 24 194.840 -2.429 -10.444 204 1HD ARG 24 HD2 ARG 24 196.498 0.054 -10.816 205 2HD ARG 24 HD1 ARG 24 196.751 -1.086 -9.494 206 HE ARG 24 HE ARG 24 196.841 -2.685 -11.649 207 1HH1 ARG 24 HH11 ARG 24 198.445 0.328 -10.916 208 2HH1 ARG 24 HH12 ARG 24 199.842 -0.040 -11.869 209 1HH2 ARG 24 HH21 ARG 24 198.680 -3.170 -12.902 210 2HH2 ARG 24 HH22 ARG 24 199.976 -2.025 -12.997 211 H LYS 25 HN LYS 25 191.771 0.539 -12.776 212 HA LYS 25 HA LYS 25 192.181 0.591 -15.608 213 1HB LYS 25 HB2 LYS 25 189.708 0.879 -13.911 214 2HB LYS 25 HB1 LYS 25 189.701 0.702 -15.665 215 1HG LYS 25 HG2 LYS 25 190.653 -1.494 -15.500 216 2HG LYS 25 HG1 LYS 25 190.875 -1.310 -13.758 217 1HD LYS 25 HD2 LYS 25 188.910 -2.677 -14.260 218 2HD LYS 25 HD1 LYS 25 188.446 -1.169 -13.470 219 1HE LYS 25 HE2 LYS 25 187.440 -0.338 -15.338 220 2HE LYS 25 HE1 LYS 25 188.526 -1.193 -16.433 221 1HZ LYS 25 HZ1 LYS 25 186.738 -2.486 -16.755 222 2HZ LYS 25 HZ2 LYS 25 185.999 -2.039 -15.302 223 3HZ LYS 25 HZ3 LYS 25 187.204 -3.225 -15.306 224 H LYS 26 HN LYS 26 191.109 2.900 -13.169 225 HA LYS 26 HA LYS 26 190.548 4.966 -15.051 226 1HB LYS 26 HB2 LYS 26 189.731 4.532 -12.548 227 2HB LYS 26 HB1 LYS 26 191.052 5.644 -12.219 228 1HG LYS 26 HG2 LYS 26 190.062 7.354 -13.501 229 2HG LYS 26 HG1 LYS 26 188.899 6.236 -14.221 230 1HD LYS 26 HD2 LYS 26 187.554 6.241 -12.390 231 2HD LYS 26 HD1 LYS 26 188.897 6.475 -11.270 232 1HE LYS 26 HE2 LYS 26 188.686 8.706 -11.310 233 2HE LYS 26 HE1 LYS 26 188.460 8.743 -13.058 234 1HZ LYS 26 HZ1 LYS 26 186.433 9.458 -12.307 235 2HZ LYS 26 HZ2 LYS 26 186.451 8.474 -10.931 236 3HZ LYS 26 HZ3 LYS 26 186.134 7.798 -12.448 237 H TYR 27 HN TYR 27 193.213 4.087 -12.963 238 HA TYR 27 HA TYR 27 194.821 6.225 -14.207 239 1HB TYR 27 HB2 TYR 27 195.594 5.083 -11.557 240 2HB TYR 27 HB1 TYR 27 195.903 6.685 -12.216 241 HD1 TYR 27 HD1 TYR 27 194.655 5.584 -9.481 242 HD2 TYR 27 HD2 TYR 27 193.090 7.438 -12.972 243 HE1 TYR 27 HE1 TYR 27 192.773 6.458 -8.161 244 HE2 TYR 27 HE2 TYR 27 191.204 8.321 -11.665 245 HH TYR 27 HH TYR 27 190.744 8.882 -9.242 246 HA PRO 28 HA PRO 28 196.678 2.236 -15.529 247 1HB PRO 28 HB2 PRO 28 197.532 3.117 -17.914 248 2HB PRO 28 HB1 PRO 28 195.869 2.583 -17.632 249 1HG PRO 28 HG2 PRO 28 196.990 5.347 -17.595 250 2HG PRO 28 HG1 PRO 28 195.551 4.752 -18.436 251 1HD PRO 28 HD2 PRO 28 195.359 6.052 -16.108 252 2HD PRO 28 HD1 PRO 28 194.299 4.675 -16.479 253 H ASP 29 HN ASP 29 197.893 5.306 -14.784 254 HA ASP 29 HA ASP 29 200.663 4.338 -15.047 255 1HB ASP 29 HB2 ASP 29 199.544 7.134 -15.212 256 2HB ASP 29 HB1 ASP 29 201.262 6.811 -14.992 257 H ARG 30 HN ARG 30 198.495 4.281 -12.806 258 HA ARG 30 HA ARG 30 200.314 5.220 -10.689 259 1HB ARG 30 HB2 ARG 30 197.340 5.554 -10.932 260 2HB ARG 30 HB1 ARG 30 198.104 5.517 -9.349 261 1HG ARG 30 HG2 ARG 30 199.516 7.326 -11.063 262 2HG ARG 30 HG1 ARG 30 197.794 7.707 -11.069 263 1HD ARG 30 HD2 ARG 30 197.745 8.002 -8.737 264 2HD ARG 30 HD1 ARG 30 199.323 7.245 -8.527 265 HE ARG 30 HE ARG 30 200.012 9.327 -9.987 266 1HH1 ARG 30 HH11 ARG 30 197.793 9.195 -7.294 267 2HH1 ARG 30 HH12 ARG 30 198.104 10.823 -6.798 268 1HH2 ARG 30 HH21 ARG 30 200.420 11.467 -9.333 269 2HH2 ARG 30 HH22 ARG 30 199.594 12.113 -7.954 270 H VAL 31 HN VAL 31 200.126 4.066 -8.654 271 HA VAL 31 HA VAL 31 198.909 1.406 -8.882 272 HB VAL 31 HB VAL 31 200.853 0.332 -7.909 273 1HG1 VAL 31 HG11 VAL 31 201.870 0.059 -9.889 274 2HG1 VAL 31 HG12 VAL 31 202.222 1.779 -10.060 275 3HG1 VAL 31 HG13 VAL 31 200.626 1.159 -10.484 276 1HG2 VAL 31 HG21 VAL 31 201.675 3.065 -7.380 277 2HG2 VAL 31 HG22 VAL 31 202.950 2.132 -8.160 278 3HG2 VAL 31 HG23 VAL 31 202.233 1.555 -6.655 279 HA PRO 32 HA PRO 32 197.413 2.816 -4.879 280 1HB PRO 32 HB2 PRO 32 195.990 0.564 -4.294 281 2HB PRO 32 HB1 PRO 32 195.386 1.848 -5.346 282 1HG PRO 32 HG2 PRO 32 196.620 -0.775 -6.073 283 2HG PRO 32 HG1 PRO 32 195.239 0.056 -6.810 284 1HD PRO 32 HD2 PRO 32 197.712 0.082 -7.915 285 2HD PRO 32 HD1 PRO 32 196.584 1.445 -8.068 286 H VAL 33 HN VAL 33 199.077 2.827 -3.474 287 HA VAL 33 HA VAL 33 200.247 0.265 -2.680 288 HB VAL 33 HB VAL 33 201.325 3.054 -2.308 289 1HG1 VAL 33 HG11 VAL 33 203.424 1.351 -1.937 290 2HG1 VAL 33 HG12 VAL 33 202.104 0.470 -1.168 291 3HG1 VAL 33 HG13 VAL 33 202.493 2.108 -0.643 292 1HG2 VAL 33 HG21 VAL 33 202.160 0.833 -4.178 293 2HG2 VAL 33 HG22 VAL 33 202.988 2.380 -3.981 294 3HG2 VAL 33 HG23 VAL 33 201.349 2.337 -4.630 295 H ILE 34 HN ILE 34 200.433 -0.358 -0.562 296 HA ILE 34 HA ILE 34 198.942 1.238 1.408 297 HB ILE 34 HB ILE 34 199.144 -1.781 1.420 298 1HG1 ILE 34 HG12 ILE 34 197.799 -1.098 -0.482 299 2HG1 ILE 34 HG11 ILE 34 196.734 -1.707 0.782 300 1HG2 ILE 34 HG21 ILE 34 198.038 0.264 3.238 301 2HG2 ILE 34 HG22 ILE 34 198.680 -1.341 3.585 302 3HG2 ILE 34 HG23 ILE 34 197.037 -1.161 2.967 303 1HD1 ILE 34 HD11 ILE 34 197.244 1.200 0.762 304 2HD1 ILE 34 HD12 ILE 34 195.767 0.306 1.119 305 3HD1 ILE 34 HD13 ILE 34 196.270 0.548 -0.555 306 H VAL 35 HN VAL 35 201.141 2.163 1.644 307 HA VAL 35 HA VAL 35 203.325 0.759 2.663 308 HB VAL 35 HB VAL 35 202.558 3.611 3.300 309 1HG1 VAL 35 HG11 VAL 35 205.040 2.001 3.663 310 2HG1 VAL 35 HG12 VAL 35 204.295 3.189 4.737 311 3HG1 VAL 35 HG13 VAL 35 205.173 3.723 3.302 312 1HG2 VAL 35 HG21 VAL 35 204.092 2.441 0.987 313 2HG2 VAL 35 HG22 VAL 35 204.066 4.157 1.388 314 3HG2 VAL 35 HG23 VAL 35 202.576 3.339 0.923 315 H GLU 36 HN GLU 36 204.160 0.636 4.834 316 HA GLU 36 HA GLU 36 202.257 1.023 7.016 317 1HB GLU 36 HB2 GLU 36 202.562 -1.462 5.783 318 2HB GLU 36 HB1 GLU 36 203.523 -1.582 7.249 319 1HG GLU 36 HG2 GLU 36 201.161 -0.362 8.055 320 2HG GLU 36 HG1 GLU 36 200.659 -1.600 6.908 321 H LYS 37 HN LYS 37 203.267 0.812 9.147 322 HA LYS 37 HA LYS 37 206.125 1.452 9.008 323 1HB LYS 37 HB2 LYS 37 204.348 2.975 10.158 324 2HB LYS 37 HB1 LYS 37 204.424 1.801 11.464 325 1HG LYS 37 HG2 LYS 37 207.087 2.490 10.779 326 2HG LYS 37 HG1 LYS 37 206.159 3.983 10.930 327 1HD LYS 37 HD2 LYS 37 207.051 3.465 13.085 328 2HD LYS 37 HD1 LYS 37 205.318 3.137 13.132 329 1HE LYS 37 HE2 LYS 37 205.612 0.854 13.172 330 2HE LYS 37 HE1 LYS 37 207.206 0.949 12.426 331 1HZ LYS 37 HZ1 LYS 37 207.824 2.144 14.622 332 2HZ LYS 37 HZ2 LYS 37 207.714 0.456 14.597 333 3HZ LYS 37 HZ3 LYS 37 206.445 1.376 15.234 334 H ALA 38 HN ALA 38 206.990 -0.568 8.893 335 HA ALA 38 HA ALA 38 206.458 -2.936 9.968 336 1HB ALA 38 HB1 ALA 38 208.479 -2.335 8.651 337 2HB ALA 38 HB2 ALA 38 208.785 -3.448 9.985 338 3HB ALA 38 HB3 ALA 38 209.212 -1.741 10.148 339 HA PRO 39 HA PRO 39 206.206 -2.910 14.364 340 1HB PRO 39 HB2 PRO 39 207.326 -5.381 14.851 341 2HB PRO 39 HB1 PRO 39 205.644 -5.121 14.367 342 1HG PRO 39 HG2 PRO 39 208.006 -5.867 12.706 343 2HG PRO 39 HG1 PRO 39 206.349 -6.487 12.633 344 1HD PRO 39 HD2 PRO 39 207.254 -4.707 10.865 345 2HD PRO 39 HD1 PRO 39 205.584 -4.636 11.470 346 H LYS 40 HN LYS 40 207.480 -2.479 16.127 347 HA LYS 40 HA LYS 40 209.309 -1.952 17.353 348 1HB LYS 40 HB2 LYS 40 210.602 -3.936 15.489 349 2HB LYS 40 HB1 LYS 40 211.452 -3.177 16.829 350 1HG LYS 40 HG2 LYS 40 210.759 -5.225 17.682 351 2HG LYS 40 HG1 LYS 40 209.567 -4.078 18.298 352 1HD LYS 40 HD2 LYS 40 207.980 -4.735 16.619 353 2HD LYS 40 HD1 LYS 40 209.179 -5.754 15.818 354 1HE LYS 40 HE2 LYS 40 209.315 -7.072 17.962 355 2HE LYS 40 HE1 LYS 40 207.913 -6.161 18.519 356 1HZ LYS 40 HZ1 LYS 40 208.088 -8.116 16.316 357 2HZ LYS 40 HZ2 LYS 40 206.849 -6.965 16.347 358 3HZ LYS 40 HZ3 LYS 40 207.005 -8.073 17.615 359 H ALA 41 HN ALA 41 209.080 -1.081 14.101 360 HA ALA 41 HA ALA 41 211.489 0.071 13.470 361 1HB ALA 41 HB1 ALA 41 208.935 1.500 12.848 362 2HB ALA 41 HB2 ALA 41 209.311 -0.049 12.081 363 3HB ALA 41 HB3 ALA 41 210.388 1.333 11.866 364 H ARG 42 HN ARG 42 212.510 1.926 14.010 365 HA ARG 42 HA ARG 42 211.619 3.258 16.433 366 1HB ARG 42 HB2 ARG 42 214.195 3.813 14.976 367 2HB ARG 42 HB1 ARG 42 213.830 4.067 16.676 368 1HG ARG 42 HG2 ARG 42 214.049 1.819 17.193 369 2HG ARG 42 HG1 ARG 42 213.811 1.310 15.522 370 1HD ARG 42 HD2 ARG 42 216.014 1.244 15.260 371 2HD ARG 42 HD1 ARG 42 216.077 2.984 15.540 372 HE ARG 42 HE ARG 42 216.872 2.589 17.655 373 1HH1 ARG 42 HH11 ARG 42 215.645 -0.393 16.320 374 2HH1 ARG 42 HH12 ARG 42 216.280 -1.372 17.599 375 1HH2 ARG 42 HH21 ARG 42 217.708 1.302 19.338 376 2HH2 ARG 42 HH22 ARG 42 217.451 -0.411 19.313 377 H ILE 43 HN ILE 43 210.162 3.722 14.118 378 HA ILE 43 HA ILE 43 210.628 6.598 13.686 379 HB ILE 43 HB ILE 43 209.393 6.058 11.452 380 1HG1 ILE 43 HG12 ILE 43 210.706 3.415 12.094 381 2HG1 ILE 43 HG11 ILE 43 208.970 3.701 12.013 382 1HG2 ILE 43 HG21 ILE 43 212.279 5.697 12.116 383 2HG2 ILE 43 HG22 ILE 43 211.486 7.009 11.243 384 3HG2 ILE 43 HG23 ILE 43 211.717 5.443 10.464 385 1HD1 ILE 43 HD11 ILE 43 210.908 3.273 9.881 386 2HD1 ILE 43 HD12 ILE 43 209.779 4.596 9.592 387 3HD1 ILE 43 HD13 ILE 43 209.170 2.972 9.927 388 H GLY 44 HN GLY 44 208.619 7.685 12.850 389 1HA GLY 44 HA2 GLY 44 206.510 7.321 14.713 390 2HA GLY 44 HA1 GLY 44 206.487 8.401 13.327 391 H ASP 45 HN ASP 45 204.463 6.493 14.495 392 HA ASP 45 HA ASP 45 204.131 4.467 12.469 393 1HB ASP 45 HB2 ASP 45 202.192 5.339 14.619 394 2HB ASP 45 HB1 ASP 45 202.120 3.850 13.681 395 H LEU 46 HN LEU 46 202.990 4.583 10.667 396 HA LEU 46 HA LEU 46 201.680 7.095 10.013 397 1HB LEU 46 HB2 LEU 46 203.085 5.051 8.564 398 2HB LEU 46 HB1 LEU 46 201.501 5.296 7.850 399 HG LEU 46 HG LEU 46 203.142 7.702 8.448 400 1HD1 LEU 46 HD11 LEU 46 204.095 7.397 6.081 401 2HD1 LEU 46 HD12 LEU 46 203.739 5.686 6.315 402 3HD1 LEU 46 HD13 LEU 46 204.850 6.513 7.408 403 1HD2 LEU 46 HD21 LEU 46 200.964 8.093 7.600 404 2HD2 LEU 46 HD22 LEU 46 201.164 6.877 6.337 405 3HD2 LEU 46 HD23 LEU 46 202.081 8.381 6.268 406 H ASP 47 HN ASP 47 199.544 7.327 9.542 407 HA ASP 47 HA ASP 47 197.816 5.025 10.156 408 1HB ASP 47 HB2 ASP 47 196.058 6.752 10.608 409 2HB ASP 47 HB1 ASP 47 197.444 6.843 11.692 410 H LYS 48 HN LYS 48 198.882 7.036 7.657 411 HA LYS 48 HA LYS 48 196.566 7.144 6.031 412 1HB LYS 48 HB2 LYS 48 198.632 8.579 5.818 413 2HB LYS 48 HB1 LYS 48 199.443 7.189 5.113 414 1HG LYS 48 HG2 LYS 48 197.858 7.169 3.275 415 2HG LYS 48 HG1 LYS 48 196.989 8.526 3.994 416 1HD LYS 48 HD2 LYS 48 198.857 9.983 3.684 417 2HD LYS 48 HD1 LYS 48 199.898 8.639 3.211 418 1HE LYS 48 HE2 LYS 48 199.011 10.106 1.339 419 2HE LYS 48 HE1 LYS 48 198.788 8.367 1.154 420 1HZ LYS 48 HZ1 LYS 48 196.557 8.538 1.372 421 2HZ LYS 48 HZ2 LYS 48 196.837 10.099 0.784 422 3HZ LYS 48 HZ3 LYS 48 196.631 9.845 2.444 423 H LYS 49 HN LYS 49 199.515 5.187 5.635 424 HA LYS 49 HA LYS 49 199.878 3.102 4.842 425 1HB LYS 49 HB2 LYS 49 197.019 2.899 5.648 426 2HB LYS 49 HB1 LYS 49 197.663 1.637 4.603 427 1HG LYS 49 HG2 LYS 49 199.473 2.175 6.774 428 2HG LYS 49 HG1 LYS 49 197.857 1.808 7.380 429 1HD LYS 49 HD2 LYS 49 198.176 -0.081 5.429 430 2HD LYS 49 HD1 LYS 49 199.816 0.073 6.060 431 1HE LYS 49 HE2 LYS 49 197.317 -0.749 7.490 432 2HE LYS 49 HE1 LYS 49 198.852 -1.598 7.370 433 1HZ LYS 49 HZ1 LYS 49 199.267 -0.744 9.368 434 2HZ LYS 49 HZ2 LYS 49 198.011 0.385 9.263 435 3HZ LYS 49 HZ3 LYS 49 199.521 0.734 8.585 436 H LYS 50 HN LYS 50 196.814 4.291 3.423 437 HA LYS 50 HA LYS 50 197.345 3.109 0.892 438 1HB LYS 50 HB2 LYS 50 195.063 3.582 1.668 439 2HB LYS 50 HB1 LYS 50 195.406 5.305 1.631 440 1HG LYS 50 HG2 LYS 50 194.465 5.211 -0.396 441 2HG LYS 50 HG1 LYS 50 196.046 4.610 -0.904 442 1HD LYS 50 HD2 LYS 50 194.594 3.037 -1.798 443 2HD LYS 50 HD1 LYS 50 195.088 2.284 -0.280 444 1HE LYS 50 HE2 LYS 50 192.676 2.091 -0.635 445 2HE LYS 50 HE1 LYS 50 193.044 3.064 0.789 446 1HZ LYS 50 HZ1 LYS 50 191.274 3.889 -0.859 447 2HZ LYS 50 HZ2 LYS 50 192.585 4.358 -1.819 448 3HZ LYS 50 HZ3 LYS 50 192.403 5.000 -0.265 449 H TYR 51 HN TYR 51 198.219 3.932 -0.931 450 HA TYR 51 HA TYR 51 198.913 6.751 -1.094 451 1HB TYR 51 HB2 TYR 51 200.952 4.531 -1.047 452 2HB TYR 51 HB1 TYR 51 201.287 6.099 -1.772 453 HD1 TYR 51 HD1 TYR 51 201.522 8.084 -0.387 454 HD2 TYR 51 HD2 TYR 51 200.755 4.278 1.341 455 HE1 TYR 51 HE1 TYR 51 202.154 8.965 1.818 456 HE2 TYR 51 HE2 TYR 51 201.383 5.144 3.553 457 HH TYR 51 HH TYR 51 201.407 8.037 4.455 458 H LEU 52 HN LEU 52 198.456 7.434 -3.078 459 HA LEU 52 HA LEU 52 198.233 5.445 -5.221 460 1HB LEU 52 HB2 LEU 52 196.454 7.311 -4.519 461 2HB LEU 52 HB1 LEU 52 197.408 8.276 -5.628 462 HG LEU 52 HG LEU 52 196.953 6.723 -7.443 463 1HD1 LEU 52 HD11 LEU 52 194.914 5.094 -6.352 464 2HD1 LEU 52 HD12 LEU 52 196.324 4.945 -5.305 465 3HD1 LEU 52 HD13 LEU 52 196.466 4.601 -7.029 466 1HD2 LEU 52 HD21 LEU 52 194.894 7.544 -7.881 467 2HD2 LEU 52 HD22 LEU 52 195.212 8.500 -6.433 468 3HD2 LEU 52 HD23 LEU 52 194.237 7.034 -6.325 469 H VAL 53 HN VAL 53 200.605 5.381 -5.231 470 HA VAL 53 HA VAL 53 201.941 7.690 -6.389 471 HB VAL 53 HB VAL 53 203.934 5.978 -6.343 472 1HG1 VAL 53 HG11 VAL 53 203.314 8.068 -4.869 473 2HG1 VAL 53 HG12 VAL 53 204.626 6.987 -4.407 474 3HG1 VAL 53 HG13 VAL 53 203.049 6.839 -3.632 475 1HG2 VAL 53 HG21 VAL 53 202.376 4.824 -4.067 476 2HG2 VAL 53 HG22 VAL 53 203.792 4.180 -4.897 477 3HG2 VAL 53 HG23 VAL 53 202.215 4.144 -5.687 478 HA PRO 54 HA PRO 54 201.857 6.464 -10.615 479 1HB PRO 54 HB2 PRO 54 204.766 7.019 -10.730 480 2HB PRO 54 HB1 PRO 54 203.447 7.727 -11.667 481 1HG PRO 54 HG2 PRO 54 204.667 9.116 -9.740 482 2HG PRO 54 HG1 PRO 54 202.922 9.263 -10.017 483 1HD PRO 54 HD2 PRO 54 204.385 7.752 -7.890 484 2HD PRO 54 HD1 PRO 54 202.882 8.692 -7.776 485 H SER 55 HN SER 55 203.582 5.293 -12.207 486 HA SER 55 HA SER 55 204.212 2.746 -10.875 487 1HB SER 55 HB2 SER 55 202.793 1.958 -12.451 488 2HB SER 55 HB1 SER 55 202.950 3.398 -13.455 489 HG SER 55 HG SER 55 203.885 1.171 -14.111 490 H ASP 56 HN ASP 56 205.568 5.445 -12.417 491 HA ASP 56 HA ASP 56 208.016 3.994 -13.114 492 1HB ASP 56 HB2 ASP 56 206.845 6.628 -13.914 493 2HB ASP 56 HB1 ASP 56 208.596 6.443 -13.948 494 H LEU 57 HN LEU 57 206.622 5.636 -10.581 495 HA LEU 57 HA LEU 57 208.677 7.232 -9.595 496 1HB LEU 57 HB2 LEU 57 206.343 7.211 -8.749 497 2HB LEU 57 HB1 LEU 57 206.670 5.666 -7.984 498 HG LEU 57 HG LEU 57 208.645 7.030 -6.871 499 1HD1 LEU 57 HD11 LEU 57 208.001 9.061 -8.229 500 2HD1 LEU 57 HD12 LEU 57 208.196 9.306 -6.494 501 3HD1 LEU 57 HD13 LEU 57 206.581 9.184 -7.191 502 1HD2 LEU 57 HD21 LEU 57 206.914 5.882 -5.637 503 2HD2 LEU 57 HD22 LEU 57 205.762 7.164 -6.006 504 3HD2 LEU 57 HD23 LEU 57 207.150 7.497 -4.969 505 H THR 58 HN THR 58 210.688 6.607 -9.199 506 HA THR 58 HA THR 58 211.415 3.900 -8.710 507 HB THR 58 HB THR 58 213.619 5.272 -7.946 508 HG1 THR 58 HG1 THR 58 212.443 6.961 -9.877 509 1HG2 THR 58 HG21 THR 58 212.709 4.020 -10.329 510 2HG2 THR 58 HG22 THR 58 214.360 4.233 -9.743 511 3HG2 THR 58 HG23 THR 58 213.615 5.473 -10.752 512 H VAL 59 HN VAL 59 212.076 2.892 -6.868 513 HA VAL 59 HA VAL 59 210.762 3.307 -4.518 514 HB VAL 59 HB VAL 59 213.383 1.979 -5.111 515 1HG1 VAL 59 HG11 VAL 59 212.058 2.168 -2.404 516 2HG1 VAL 59 HG12 VAL 59 213.667 2.743 -2.844 517 3HG1 VAL 59 HG13 VAL 59 213.327 1.014 -2.817 518 1HG2 VAL 59 HG21 VAL 59 212.196 -0.012 -4.986 519 2HG2 VAL 59 HG22 VAL 59 211.052 1.091 -5.750 520 3HG2 VAL 59 HG23 VAL 59 210.897 0.707 -4.035 521 H GLY 60 HN GLY 60 213.816 4.749 -5.540 522 1HA GLY 60 HA2 GLY 60 214.575 5.896 -3.084 523 2HA GLY 60 HA1 GLY 60 215.036 6.498 -4.672 524 H GLN 61 HN GLN 61 212.354 6.940 -5.580 525 HA GLN 61 HA GLN 61 211.918 9.562 -4.523 526 1HB GLN 61 HB2 GLN 61 210.316 7.904 -6.464 527 2HB GLN 61 HB1 GLN 61 210.017 9.601 -6.101 528 1HG GLN 61 HG2 GLN 61 212.312 10.107 -6.852 529 2HG GLN 61 HG1 GLN 61 212.473 8.426 -7.357 530 1HE2 GLN 61 HE21 GLN 61 209.834 8.094 -8.323 531 2HE2 GLN 61 HE22 GLN 61 209.679 9.000 -9.785 532 H PHE 62 HN PHE 62 210.108 6.513 -4.502 533 HA PHE 62 HA PHE 62 207.870 7.280 -3.074 534 1HB PHE 62 HB2 PHE 62 208.418 5.012 -4.136 535 2HB PHE 62 HB1 PHE 62 209.245 4.636 -2.629 536 HD1 PHE 62 HD1 PHE 62 206.109 6.543 -3.101 537 HD2 PHE 62 HD2 PHE 62 207.921 2.958 -1.709 538 HE1 PHE 62 HE1 PHE 62 203.963 5.848 -2.122 539 HE2 PHE 62 HE2 PHE 62 205.777 2.252 -0.726 540 HZ PHE 62 HZ PHE 62 203.797 3.701 -0.935 541 H TYR 63 HN TYR 63 211.037 6.290 -1.864 542 HA TYR 63 HA TYR 63 210.524 6.179 0.861 543 1HB TYR 63 HB2 TYR 63 212.914 6.779 -0.811 544 2HB TYR 63 HB1 TYR 63 213.008 7.183 0.898 545 HD1 TYR 63 HD1 TYR 63 213.638 4.731 -1.465 546 HD2 TYR 63 HD2 TYR 63 212.196 5.208 2.500 547 HE1 TYR 63 HE1 TYR 63 214.250 2.400 -0.972 548 HE2 TYR 63 HE2 TYR 63 212.799 2.884 3.011 549 HH TYR 63 HH TYR 63 213.635 0.629 0.603 550 H PHE 64 HN PHE 64 212.100 8.851 -0.779 551 HA PHE 64 HA PHE 64 212.096 10.801 1.066 552 1HB PHE 64 HB2 PHE 64 213.122 11.282 -0.974 553 2HB PHE 64 HB1 PHE 64 211.693 10.850 -1.902 554 HD1 PHE 64 HD1 PHE 64 210.225 12.475 -2.641 555 HD2 PHE 64 HD2 PHE 64 213.044 13.427 0.402 556 HE1 PHE 64 HE1 PHE 64 209.629 14.857 -2.837 557 HE2 PHE 64 HE2 PHE 64 212.450 15.807 0.216 558 HZ PHE 64 HZ PHE 64 210.742 16.525 -1.406 559 H LEU 65 HN LEU 65 209.257 9.782 -0.770 560 HA LEU 65 HA LEU 65 207.639 11.954 0.165 561 1HB LEU 65 HB2 LEU 65 206.261 11.297 -1.447 562 2HB LEU 65 HB1 LEU 65 207.475 10.110 -1.883 563 HG LEU 65 HG LEU 65 206.333 8.590 -0.188 564 1HD1 LEU 65 HD11 LEU 65 204.304 9.135 0.681 565 2HD1 LEU 65 HD12 LEU 65 203.839 10.087 -0.727 566 3HD1 LEU 65 HD13 LEU 65 204.927 10.774 0.480 567 1HD2 LEU 65 HD21 LEU 65 204.927 7.707 -1.864 568 2HD2 LEU 65 HD22 LEU 65 206.251 8.493 -2.726 569 3HD2 LEU 65 HD23 LEU 65 204.683 9.289 -2.601 570 H ILE 66 HN ILE 66 208.117 8.582 1.073 571 HA ILE 66 HA ILE 66 206.097 8.610 3.103 572 HB ILE 66 HB ILE 66 208.382 6.710 2.577 573 1HG1 ILE 66 HG12 ILE 66 206.713 6.650 0.834 574 2HG1 ILE 66 HG11 ILE 66 206.536 5.205 1.826 575 1HG2 ILE 66 HG21 ILE 66 208.065 6.154 4.745 576 2HG2 ILE 66 HG22 ILE 66 206.699 5.255 4.081 577 3HG2 ILE 66 HG23 ILE 66 206.443 6.846 4.799 578 1HD1 ILE 66 HD11 ILE 66 204.384 6.195 1.213 579 2HD1 ILE 66 HD12 ILE 66 204.838 7.681 2.049 580 3HD1 ILE 66 HD13 ILE 66 204.636 6.184 2.958 581 H ARG 67 HN ARG 67 209.499 9.332 2.910 582 HA ARG 67 HA ARG 67 210.262 9.194 5.570 583 1HB ARG 67 HB2 ARG 67 211.243 10.446 3.134 584 2HB ARG 67 HB1 ARG 67 211.579 11.436 4.547 585 1HG ARG 67 HG2 ARG 67 213.242 10.108 5.162 586 2HG ARG 67 HG1 ARG 67 212.203 8.683 5.095 587 1HD ARG 67 HD2 ARG 67 212.678 8.337 2.805 588 2HD ARG 67 HD1 ARG 67 213.418 9.931 2.649 589 HE ARG 67 HE ARG 67 214.750 8.226 4.538 590 1HH1 ARG 67 HH11 ARG 67 214.502 9.112 1.171 591 2HH1 ARG 67 HH12 ARG 67 216.104 8.581 0.784 592 1HH2 ARG 67 HH21 ARG 67 216.858 7.529 4.031 593 2HH2 ARG 67 HH22 ARG 67 217.441 7.682 2.407 594 H LYS 68 HN LYS 68 208.737 11.915 3.842 595 HA LYS 68 HA LYS 68 208.749 13.707 6.022 596 1HB LYS 68 HB2 LYS 68 206.717 13.603 3.798 597 2HB LYS 68 HB1 LYS 68 207.192 15.009 4.741 598 1HG LYS 68 HG2 LYS 68 208.795 15.490 3.294 599 2HG LYS 68 HG1 LYS 68 209.493 13.877 3.469 600 1HD LYS 68 HD2 LYS 68 208.004 13.003 1.785 601 2HD LYS 68 HD1 LYS 68 207.158 14.547 1.681 602 1HE LYS 68 HE2 LYS 68 210.034 14.786 1.269 603 2HE LYS 68 HE1 LYS 68 209.251 13.737 0.087 604 1HZ LYS 68 HZ1 LYS 68 209.281 16.513 0.127 605 2HZ LYS 68 HZ2 LYS 68 207.691 16.060 0.481 606 3HZ LYS 68 HZ3 LYS 68 208.430 15.509 -0.936 607 H ARG 69 HN ARG 69 206.380 11.339 4.879 608 HA ARG 69 HA ARG 69 204.281 11.956 6.600 609 1HB ARG 69 HB2 ARG 69 205.062 9.184 5.688 610 2HB ARG 69 HB1 ARG 69 203.465 9.720 6.194 611 1HG ARG 69 HG2 ARG 69 204.553 11.304 4.012 612 2HG ARG 69 HG1 ARG 69 204.381 9.593 3.612 613 1HD ARG 69 HD2 ARG 69 202.141 9.693 3.619 614 2HD ARG 69 HD1 ARG 69 202.092 10.754 5.027 615 HE ARG 69 HE ARG 69 202.064 11.532 2.252 616 1HH1 ARG 69 HH11 ARG 69 202.720 12.560 5.522 617 2HH1 ARG 69 HH12 ARG 69 202.510 14.242 5.167 618 1HH2 ARG 69 HH21 ARG 69 201.788 13.742 1.785 619 2HH2 ARG 69 HH22 ARG 69 201.981 14.914 3.046 620 H ILE 70 HN ILE 70 207.335 10.545 7.272 621 HA ILE 70 HA ILE 70 206.455 9.801 9.979 622 HB ILE 70 HB ILE 70 208.991 8.710 9.675 623 1HG1 ILE 70 HG12 ILE 70 207.458 7.812 7.265 624 2HG1 ILE 70 HG11 ILE 70 208.504 9.221 7.158 625 1HG2 ILE 70 HG21 ILE 70 207.945 6.837 10.335 626 2HG2 ILE 70 HG22 ILE 70 206.748 6.926 9.044 627 3HG2 ILE 70 HG23 ILE 70 206.546 7.898 10.501 628 1HD1 ILE 70 HD11 ILE 70 209.264 6.627 6.772 629 2HD1 ILE 70 HD12 ILE 70 209.802 6.957 8.419 630 3HD1 ILE 70 HD13 ILE 70 210.338 7.988 7.093 631 H HIS 71 HN HIS 71 207.906 12.224 8.361 632 HA HIS 71 HA HIS 71 209.039 14.058 9.013 633 1HB HIS 71 HB2 HIS 71 209.197 12.785 11.752 634 2HB HIS 71 HB1 HIS 71 209.547 14.463 11.361 635 HD1 HIS 71 HD1 HIS 71 207.695 15.987 11.906 636 HD2 HIS 71 HD2 HIS 71 206.317 12.184 10.954 637 HE1 HIS 71 HE1 HIS 71 205.198 16.088 12.181 638 HE2 HIS 71 HE2 HIS 71 204.395 13.755 11.676 639 H LEU 72 HN LEU 72 210.327 12.362 7.604 640 HA LEU 72 HA LEU 72 213.031 12.250 8.770 641 1HB LEU 72 HB2 LEU 72 211.830 10.352 6.768 642 2HB LEU 72 HB1 LEU 72 213.457 10.267 7.419 643 HG LEU 72 HG LEU 72 210.854 9.685 8.807 644 1HD1 LEU 72 HD11 LEU 72 212.282 7.992 7.455 645 2HD1 LEU 72 HD12 LEU 72 211.645 7.534 9.034 646 3HD1 LEU 72 HD13 LEU 72 213.332 8.022 8.870 647 1HD2 LEU 72 HD21 LEU 72 212.725 9.245 10.723 648 2HD2 LEU 72 HD22 LEU 72 211.716 10.687 10.624 649 3HD2 LEU 72 HD23 LEU 72 213.351 10.708 9.965 650 H ARG 73 HN ARG 73 214.689 13.031 7.520 651 HA ARG 73 HA ARG 73 213.967 14.051 4.855 652 1HB ARG 73 HB2 ARG 73 215.579 15.980 5.471 653 2HB ARG 73 HB1 ARG 73 213.937 16.008 6.100 654 1HG ARG 73 HG2 ARG 73 216.079 14.757 7.743 655 2HG ARG 73 HG1 ARG 73 215.994 16.517 7.641 656 1HD ARG 73 HD2 ARG 73 213.673 14.752 8.408 657 2HD ARG 73 HD1 ARG 73 214.751 15.525 9.570 658 HE ARG 73 HE ARG 73 213.692 17.445 7.783 659 1HH1 ARG 73 HH11 ARG 73 212.794 15.460 10.509 660 2HH1 ARG 73 HH12 ARG 73 211.565 16.550 11.058 661 1HH2 ARG 73 HH21 ARG 73 212.076 18.879 8.503 662 2HH2 ARG 73 HH22 ARG 73 211.157 18.490 9.918 663 H ALA 74 HN ALA 74 215.062 11.926 4.332 664 HA ALA 74 HA ALA 74 216.818 10.835 3.378 665 1HB ALA 74 HB1 ALA 74 218.292 13.457 3.488 666 2HB ALA 74 HB2 ALA 74 217.088 13.061 2.260 667 3HB ALA 74 HB3 ALA 74 218.566 12.107 2.387 668 H GLU 75 HN GLU 75 218.477 13.204 5.470 669 HA GLU 75 HA GLU 75 220.533 11.617 6.334 670 1HB GLU 75 HB2 GLU 75 219.021 13.745 7.853 671 2HB GLU 75 HB1 GLU 75 220.523 13.029 8.423 672 1HG GLU 75 HG2 GLU 75 221.783 14.026 6.766 673 2HG GLU 75 HG1 GLU 75 220.391 14.267 5.710 674 H ASP 76 HN ASP 76 217.206 11.591 7.372 675 HA ASP 76 HA ASP 76 217.639 9.900 9.651 676 1HB ASP 76 HB2 ASP 76 215.189 10.818 8.157 677 2HB ASP 76 HB1 ASP 76 215.087 9.629 9.452 678 H ALA 77 HN ALA 77 216.840 7.728 9.844 679 HA ALA 77 HA ALA 77 217.455 6.176 7.475 680 1HB ALA 77 HB1 ALA 77 216.905 5.287 10.300 681 2HB ALA 77 HB2 ALA 77 218.491 5.524 9.567 682 3HB ALA 77 HB3 ALA 77 217.428 4.245 8.978 683 H LEU 78 HN LEU 78 216.113 4.867 6.406 684 HA LEU 78 HA LEU 78 213.509 4.144 7.304 685 1HB LEU 78 HB2 LEU 78 213.019 6.443 6.695 686 2HB LEU 78 HB1 LEU 78 213.738 6.205 5.114 687 HG LEU 78 HG LEU 78 211.958 4.502 4.640 688 1HD1 LEU 78 HD11 LEU 78 211.181 3.787 6.703 689 2HD1 LEU 78 HD12 LEU 78 209.888 4.844 6.137 690 3HD1 LEU 78 HD13 LEU 78 211.044 5.428 7.334 691 1HD2 LEU 78 HD21 LEU 78 211.862 6.891 3.906 692 2HD2 LEU 78 HD22 LEU 78 210.863 7.224 5.322 693 3HD2 LEU 78 HD23 LEU 78 210.290 6.109 4.080 694 H PHE 79 HN PHE 79 213.419 2.128 6.591 695 HA PHE 79 HA PHE 79 214.323 1.574 3.840 696 1HB PHE 79 HB2 PHE 79 214.357 -0.356 6.175 697 2HB PHE 79 HB1 PHE 79 214.951 -0.670 4.550 698 HD1 PHE 79 HD1 PHE 79 217.164 -0.263 4.014 699 HD2 PHE 79 HD2 PHE 79 215.503 1.508 7.507 700 HE1 PHE 79 HE1 PHE 79 219.404 0.508 4.684 701 HE2 PHE 79 HE2 PHE 79 217.737 2.287 8.182 702 HZ PHE 79 HZ PHE 79 219.692 1.786 6.769 703 H PHE 80 HN PHE 80 212.861 0.685 2.505 704 HA PHE 80 HA PHE 80 210.190 0.245 3.501 705 1HB PHE 80 HB2 PHE 80 211.418 0.306 0.761 706 2HB PHE 80 HB1 PHE 80 209.785 -0.301 1.001 707 HD1 PHE 80 HD1 PHE 80 210.744 2.120 -0.635 708 HD2 PHE 80 HD2 PHE 80 209.169 1.724 3.300 709 HE1 PHE 80 HE1 PHE 80 209.885 4.420 -0.747 710 HE2 PHE 80 HE2 PHE 80 208.311 4.024 3.193 711 HZ PHE 80 HZ PHE 80 208.667 5.374 1.167 712 H PHE 81 HN PHE 81 209.041 -1.656 3.444 713 HA PHE 81 HA PHE 81 210.511 -4.087 2.758 714 1HB PHE 81 HB2 PHE 81 209.021 -3.638 5.350 715 2HB PHE 81 HB1 PHE 81 209.698 -5.179 4.825 716 HD1 PHE 81 HD1 PHE 81 210.468 -1.810 6.033 717 HD2 PHE 81 HD2 PHE 81 212.063 -5.587 4.892 718 HE1 PHE 81 HE1 PHE 81 212.633 -1.190 7.023 719 HE2 PHE 81 HE2 PHE 81 214.230 -4.975 5.884 720 HZ PHE 81 HZ PHE 81 214.525 -2.771 6.940 721 H VAL 82 HN VAL 82 209.373 -5.022 1.219 722 HA VAL 82 HA VAL 82 206.435 -5.049 1.461 723 HB VAL 82 HB VAL 82 207.278 -3.737 -0.494 724 1HG1 VAL 82 HG11 VAL 82 209.260 -5.276 -0.860 725 2HG1 VAL 82 HG12 VAL 82 208.401 -4.736 -2.302 726 3HG1 VAL 82 HG13 VAL 82 208.134 -6.362 -1.674 727 1HG2 VAL 82 HG21 VAL 82 205.544 -4.393 -1.828 728 2HG2 VAL 82 HG22 VAL 82 205.112 -5.236 -0.339 729 3HG2 VAL 82 HG23 VAL 82 205.912 -6.110 -1.646 730 H ASN 83 HN ASN 83 205.800 -6.987 2.119 731 HA ASN 83 HA ASN 83 205.540 -9.253 2.225 732 1HB ASN 83 HB2 ASN 83 207.493 -9.511 -0.072 733 2HB ASN 83 HB1 ASN 83 206.264 -10.665 0.434 734 1HD2 ASN 83 HD21 ASN 83 205.926 -10.398 -1.985 735 2HD2 ASN 83 HD22 ASN 83 204.758 -9.218 -2.463 736 H ASN 84 HN ASN 84 207.653 -7.634 3.482 737 HA ASN 84 HA ASN 84 209.133 -8.070 5.160 738 1HB ASN 84 HB2 ASN 84 209.500 -10.866 4.072 739 2HB ASN 84 HB1 ASN 84 209.929 -10.270 5.670 740 1HD2 ASN 84 HD21 ASN 84 208.386 -10.102 7.232 741 2HD2 ASN 84 HD22 ASN 84 206.783 -10.719 7.052 742 H VAL 85 HN VAL 85 209.697 -7.845 1.948 743 HA VAL 85 HA VAL 85 212.608 -8.057 2.291 744 HB VAL 85 HB VAL 85 211.676 -9.537 0.596 745 1HG1 VAL 85 HG11 VAL 85 210.388 -7.088 -0.307 746 2HG1 VAL 85 HG12 VAL 85 209.935 -8.770 -0.574 747 3HG1 VAL 85 HG13 VAL 85 211.148 -8.010 -1.603 748 1HG2 VAL 85 HG21 VAL 85 213.335 -7.399 -0.699 749 2HG2 VAL 85 HG22 VAL 85 213.311 -9.122 -1.076 750 3HG2 VAL 85 HG23 VAL 85 213.981 -8.563 0.457 751 H ILE 86 HN ILE 86 213.918 -6.558 1.170 752 HA ILE 86 HA ILE 86 212.786 -3.862 1.223 753 HB ILE 86 HB ILE 86 215.664 -4.751 1.102 754 1HG1 ILE 86 HG12 ILE 86 213.767 -4.141 3.326 755 2HG1 ILE 86 HG11 ILE 86 215.019 -5.374 3.228 756 1HG2 ILE 86 HG21 ILE 86 214.487 -2.011 1.586 757 2HG2 ILE 86 HG22 ILE 86 215.293 -2.537 0.108 758 3HG2 ILE 86 HG23 ILE 86 216.202 -2.427 1.616 759 1HD1 ILE 86 HD11 ILE 86 215.469 -2.434 3.632 760 2HD1 ILE 86 HD12 ILE 86 216.723 -3.672 3.548 761 3HD1 ILE 86 HD13 ILE 86 215.560 -3.681 4.873 762 HA PRO 87 HA PRO 87 212.853 -4.057 -3.281 763 1HB PRO 87 HB2 PRO 87 211.674 -1.666 -3.724 764 2HB PRO 87 HB1 PRO 87 210.762 -3.091 -3.210 765 1HG PRO 87 HG2 PRO 87 211.751 -0.783 -1.579 766 2HG PRO 87 HG1 PRO 87 210.178 -1.602 -1.522 767 1HD PRO 87 HD2 PRO 87 212.176 -2.101 0.255 768 2HD PRO 87 HD1 PRO 87 210.980 -3.322 -0.224 769 HA PRO 88 HA PRO 88 216.516 -1.728 -4.162 770 1HB PRO 88 HB2 PRO 88 215.790 -1.748 -6.994 771 2HB PRO 88 HB1 PRO 88 217.103 -2.595 -6.175 772 1HG PRO 88 HG2 PRO 88 214.962 -3.892 -7.189 773 2HG PRO 88 HG1 PRO 88 215.813 -4.451 -5.738 774 1HD PRO 88 HD2 PRO 88 213.253 -2.909 -5.955 775 2HD PRO 88 HD1 PRO 88 213.660 -4.279 -4.899 776 H THR 89 HN THR 89 216.948 0.388 -4.097 777 HA THR 89 HA THR 89 215.017 2.377 -4.302 778 HB THR 89 HB THR 89 217.072 3.922 -4.553 779 HG1 THR 89 HG1 THR 89 218.381 2.106 -5.357 780 1HG2 THR 89 HG21 THR 89 217.303 2.125 -2.180 781 2HG2 THR 89 HG22 THR 89 215.911 3.190 -2.380 782 3HG2 THR 89 HG23 THR 89 217.536 3.870 -2.291 783 H SER 90 HN SER 90 216.887 0.842 -6.768 784 HA SER 90 HA SER 90 216.511 2.912 -8.733 785 1HB SER 90 HB2 SER 90 217.565 1.353 -10.285 786 2HB SER 90 HB1 SER 90 218.478 1.403 -8.776 787 HG SER 90 HG SER 90 216.566 -0.569 -9.493 788 H ALA 91 HN ALA 91 214.958 -0.117 -7.858 789 HA ALA 91 HA ALA 91 213.362 -0.491 -10.115 790 1HB ALA 91 HB1 ALA 91 213.616 -2.188 -8.385 791 2HB ALA 91 HB2 ALA 91 211.911 -1.833 -8.671 792 3HB ALA 91 HB3 ALA 91 212.722 -1.177 -7.249 793 H THR 92 HN THR 92 211.086 -0.087 -10.420 794 HA THR 92 HA THR 92 210.284 2.505 -9.296 795 HB THR 92 HB THR 92 208.990 2.876 -11.251 796 HG1 THR 92 HG1 THR 92 208.068 1.267 -12.191 797 1HG2 THR 92 HG21 THR 92 211.251 3.286 -11.798 798 2HG2 THR 92 HG22 THR 92 210.552 2.397 -13.152 799 3HG2 THR 92 HG23 THR 92 211.588 1.566 -11.992 800 H MET 93 HN MET 93 208.219 2.833 -8.483 801 HA MET 93 HA MET 93 207.087 0.924 -6.894 802 1HB MET 93 HB2 MET 93 205.793 3.292 -8.241 803 2HB MET 93 HB1 MET 93 204.970 2.314 -7.036 804 1HG MET 93 HG2 MET 93 207.423 4.002 -6.669 805 2HG MET 93 HG1 MET 93 205.829 4.245 -5.962 806 1HE MET 93 HE1 MET 93 204.742 1.940 -4.827 807 2HE MET 93 HE2 MET 93 205.679 0.947 -3.711 808 3HE MET 93 HE3 MET 93 205.754 0.634 -5.445 809 H GLY 94 HN GLY 94 206.128 1.711 -10.234 810 1HA GLY 94 HA2 GLY 94 203.968 -0.031 -10.465 811 2HA GLY 94 HA1 GLY 94 205.006 0.456 -11.799 812 H GLN 95 HN GLN 95 207.425 -0.668 -10.879 813 HA GLN 95 HA GLN 95 207.174 -3.306 -11.825 814 1HB GLN 95 HB2 GLN 95 209.398 -1.911 -10.335 815 2HB GLN 95 HB1 GLN 95 209.533 -3.559 -10.935 816 1HG GLN 95 HG2 GLN 95 209.244 -2.804 -13.203 817 2HG GLN 95 HG1 GLN 95 208.966 -1.154 -12.650 818 1HE2 GLN 95 HE21 GLN 95 210.643 0.061 -13.124 819 2HE2 GLN 95 HE22 GLN 95 212.304 -0.382 -12.959 820 H LEU 96 HN LEU 96 207.340 -1.928 -8.593 821 HA LEU 96 HA LEU 96 207.488 -4.400 -7.205 822 1HB LEU 96 HB2 LEU 96 206.350 -1.791 -6.197 823 2HB LEU 96 HB1 LEU 96 206.930 -3.128 -5.223 824 HG LEU 96 HG LEU 96 208.581 -1.260 -6.920 825 1HD1 LEU 96 HD11 LEU 96 208.064 -0.253 -4.851 826 2HD1 LEU 96 HD12 LEU 96 209.695 -0.899 -4.680 827 3HD1 LEU 96 HD13 LEU 96 208.327 -1.756 -3.966 828 1HD2 LEU 96 HD21 LEU 96 210.511 -2.535 -6.392 829 2HD2 LEU 96 HD22 LEU 96 209.324 -3.663 -7.047 830 3HD2 LEU 96 HD23 LEU 96 209.602 -3.587 -5.307 831 H TYR 97 HN TYR 97 204.834 -2.281 -8.171 832 HA TYR 97 HA TYR 97 202.753 -3.715 -6.929 833 1HB TYR 97 HB2 TYR 97 202.406 -1.449 -7.720 834 2HB TYR 97 HB1 TYR 97 202.719 -1.948 -9.381 835 HD1 TYR 97 HD1 TYR 97 201.124 -3.737 -10.369 836 HD2 TYR 97 HD2 TYR 97 200.236 -1.428 -6.913 837 HE1 TYR 97 HE1 TYR 97 198.729 -4.207 -10.681 838 HE2 TYR 97 HE2 TYR 97 197.837 -1.892 -7.210 839 HH TYR 97 HH TYR 97 196.642 -4.283 -9.051 840 H GLN 98 HN GLN 98 204.505 -4.196 -9.901 841 HA GLN 98 HA GLN 98 202.577 -6.090 -10.928 842 1HB GLN 98 HB2 GLN 98 205.312 -5.314 -11.927 843 2HB GLN 98 HB1 GLN 98 204.175 -6.351 -12.777 844 1HG GLN 98 HG2 GLN 98 202.782 -3.996 -12.151 845 2HG GLN 98 HG1 GLN 98 204.360 -3.500 -12.758 846 1HE2 GLN 98 HE21 GLN 98 204.564 -3.337 -14.871 847 2HE2 GLN 98 HE22 GLN 98 203.548 -4.083 -16.052 848 H GLU 99 HN GLU 99 205.486 -6.153 -9.037 849 HA GLU 99 HA GLU 99 205.555 -9.089 -9.292 850 1HB GLU 99 HB2 GLU 99 207.756 -7.097 -8.854 851 2HB GLU 99 HB1 GLU 99 207.968 -8.809 -8.512 852 1HG GLU 99 HG2 GLU 99 207.017 -9.004 -10.990 853 2HG GLU 99 HG1 GLU 99 207.740 -7.399 -11.098 854 H HIS 100 HN HIS 100 204.386 -6.913 -7.184 855 HA HIS 100 HA HIS 100 204.951 -8.701 -4.940 856 1HB HIS 100 HB2 HIS 100 205.361 -5.713 -4.830 857 2HB HIS 100 HB1 HIS 100 205.343 -6.770 -3.424 858 HD1 HIS 100 HD1 HIS 100 207.503 -7.861 -2.808 859 HD2 HIS 100 HD2 HIS 100 207.570 -6.286 -6.652 860 HE1 HIS 100 HE1 HIS 100 209.883 -8.093 -3.589 861 HE2 HIS 100 HE2 HIS 100 209.917 -7.053 -5.884 862 H HIS 101 HN HIS 101 202.620 -7.219 -6.719 863 HA HIS 101 HA HIS 101 200.866 -6.344 -4.646 864 1HB HIS 101 HB2 HIS 101 199.186 -6.124 -6.349 865 2HB HIS 101 HB1 HIS 101 200.712 -5.559 -7.012 866 HD1 HIS 101 HD1 HIS 101 201.989 -7.505 -8.528 867 HD2 HIS 101 HD2 HIS 101 197.894 -7.883 -7.936 868 HE1 HIS 101 HE1 HIS 101 201.194 -9.078 -10.321 869 HE2 HIS 101 HE2 HIS 101 198.728 -9.360 -9.887 870 H GLU 102 HN GLU 102 200.263 -7.764 -3.139 871 HA GLU 102 HA GLU 102 199.830 -10.539 -3.714 872 1HB GLU 102 HB2 GLU 102 199.472 -8.828 -1.265 873 2HB GLU 102 HB1 GLU 102 198.942 -10.505 -1.294 874 1HG GLU 102 HG2 GLU 102 201.736 -9.820 -2.085 875 2HG GLU 102 HG1 GLU 102 201.293 -9.888 -0.379 876 H GLU 103 HN GLU 103 198.232 -9.714 -5.477 877 HA GLU 103 HA GLU 103 196.104 -9.643 -6.279 878 1HB GLU 103 HB2 GLU 103 196.190 -11.718 -4.516 879 2HB GLU 103 HB1 GLU 103 194.872 -10.766 -3.846 880 1HG GLU 103 HG2 GLU 103 193.631 -11.971 -5.270 881 2HG GLU 103 HG1 GLU 103 194.172 -10.768 -6.440 882 H ASP 104 HN ASP 104 193.665 -9.114 -5.372 883 HA ASP 104 HA ASP 104 192.258 -7.542 -4.489 884 1HB ASP 104 HB2 ASP 104 194.282 -7.798 -2.528 885 2HB ASP 104 HB1 ASP 104 194.009 -6.070 -2.742 886 H PHE 105 HN PHE 105 194.656 -7.019 -6.511 887 HA PHE 105 HA PHE 105 195.361 -5.310 -7.841 888 1HB PHE 105 HB2 PHE 105 192.681 -4.185 -7.003 889 2HB PHE 105 HB1 PHE 105 193.671 -3.529 -8.302 890 HD1 PHE 105 HD1 PHE 105 192.428 -6.901 -7.264 891 HD2 PHE 105 HD2 PHE 105 192.975 -4.083 -10.408 892 HE1 PHE 105 HE1 PHE 105 191.389 -8.469 -8.847 893 HE2 PHE 105 HE2 PHE 105 191.937 -5.648 -11.995 894 HZ PHE 105 HZ PHE 105 191.141 -7.845 -11.216 895 H PHE 106 HN PHE 106 195.783 -5.189 -4.806 896 HA PHE 106 HA PHE 106 196.521 -2.350 -4.682 897 1HB PHE 106 HB2 PHE 106 195.015 -4.008 -2.811 898 2HB PHE 106 HB1 PHE 106 196.373 -3.182 -2.052 899 HD1 PHE 106 HD1 PHE 106 195.396 -1.495 -0.797 900 HD2 PHE 106 HD2 PHE 106 194.220 -2.069 -4.847 901 HE1 PHE 106 HE1 PHE 106 194.068 0.578 -0.696 902 HE2 PHE 106 HE2 PHE 106 192.889 0.015 -4.753 903 HZ PHE 106 HZ PHE 106 192.815 1.333 -2.676 904 H LEU 107 HN LEU 107 198.527 -1.856 -4.207 905 HA LEU 107 HA LEU 107 200.450 -4.009 -3.712 906 1HB LEU 107 HB2 LEU 107 201.022 -2.611 -5.573 907 2HB LEU 107 HB1 LEU 107 200.700 -1.151 -4.665 908 HG LEU 107 HG LEU 107 203.099 -1.468 -5.038 909 1HD1 LEU 107 HD11 LEU 107 202.830 -1.986 -2.144 910 2HD1 LEU 107 HD12 LEU 107 201.989 -0.591 -2.818 911 3HD1 LEU 107 HD13 LEU 107 203.734 -0.741 -3.002 912 1HD2 LEU 107 HD21 LEU 107 203.685 -3.655 -5.148 913 2HD2 LEU 107 HD22 LEU 107 202.489 -4.151 -3.951 914 3HD2 LEU 107 HD23 LEU 107 204.008 -3.420 -3.428 915 H TYR 108 HN TYR 108 201.052 -4.337 -1.613 916 HA TYR 108 HA TYR 108 200.773 -2.046 0.216 917 1HB TYR 108 HB2 TYR 108 199.823 -3.369 1.790 918 2HB TYR 108 HB1 TYR 108 199.432 -4.370 0.402 919 HD1 TYR 108 HD1 TYR 108 201.902 -5.789 -0.163 920 HD2 TYR 108 HD2 TYR 108 200.172 -4.703 3.555 921 HE1 TYR 108 HE1 TYR 108 203.049 -7.685 0.905 922 HE2 TYR 108 HE2 TYR 108 201.320 -6.595 4.652 923 HH TYR 108 HH TYR 108 203.803 -8.362 3.133 924 H ILE 109 HN ILE 109 202.375 -1.474 1.582 925 HA ILE 109 HA ILE 109 204.908 -2.961 1.470 926 HB ILE 109 HB ILE 109 204.558 -0.029 0.872 927 1HG1 ILE 109 HG12 ILE 109 205.044 -2.454 -0.806 928 2HG1 ILE 109 HG11 ILE 109 203.934 -1.117 -1.052 929 1HG2 ILE 109 HG21 ILE 109 207.051 -1.692 1.165 930 2HG2 ILE 109 HG22 ILE 109 206.604 -0.230 2.048 931 3HG2 ILE 109 HG23 ILE 109 207.024 -0.134 0.340 932 1HD1 ILE 109 HD11 ILE 109 206.898 -1.135 -1.502 933 2HD1 ILE 109 HD12 ILE 109 205.908 0.325 -1.547 934 3HD1 ILE 109 HD13 ILE 109 205.619 -0.972 -2.708 935 H ALA 110 HN ALA 110 206.530 -2.098 3.022 936 HA ALA 110 HA ALA 110 205.359 -0.762 5.377 937 1HB ALA 110 HB1 ALA 110 206.945 -3.311 5.325 938 2HB ALA 110 HB2 ALA 110 205.385 -2.999 6.085 939 3HB ALA 110 HB3 ALA 110 206.853 -2.294 6.761 940 H TYR 111 HN TYR 111 207.050 0.078 6.844 941 HA TYR 111 HA TYR 111 209.632 0.595 5.600 942 1HB TYR 111 HB2 TYR 111 209.466 2.977 5.651 943 2HB TYR 111 HB1 TYR 111 208.045 2.381 4.803 944 HD1 TYR 111 HD1 TYR 111 205.868 2.800 5.636 945 HD2 TYR 111 HD2 TYR 111 209.251 3.771 7.983 946 HE1 TYR 111 HE1 TYR 111 204.414 4.038 7.180 947 HE2 TYR 111 HE2 TYR 111 207.826 5.009 9.562 948 HH TYR 111 HH TYR 111 205.725 5.605 10.087 949 H SER 112 HN SER 112 211.212 0.573 7.064 950 HA SER 112 HA SER 112 210.562 1.120 9.892 951 1HB SER 112 HB2 SER 112 210.920 -1.053 10.318 952 2HB SER 112 HB1 SER 112 211.527 -1.350 8.693 953 HG SER 112 HG SER 112 212.926 -0.606 11.014 954 H ASP 113 HN ASP 113 212.598 1.466 11.202 955 HA ASP 113 HA ASP 113 214.275 3.354 9.763 956 1HB ASP 113 HB2 ASP 113 213.259 3.960 11.950 957 2HB ASP 113 HB1 ASP 113 214.221 2.698 12.717 958 H GLU 114 HN GLU 114 214.416 0.184 9.950 959 HA GLU 114 HA GLU 114 217.352 0.127 10.027 960 1HB GLU 114 HB2 GLU 114 215.559 -1.983 11.243 961 2HB GLU 114 HB1 GLU 114 217.316 -2.024 11.181 962 1HG GLU 114 HG2 GLU 114 217.237 0.150 12.515 963 2HG GLU 114 HG1 GLU 114 215.544 -0.240 12.808 964 H SER 115 HN SER 115 218.091 -2.115 9.122 965 HA SER 115 HA SER 115 216.952 -2.289 6.485 966 1HB SER 115 HB2 SER 115 218.768 -3.877 6.013 967 2HB SER 115 HB1 SER 115 219.381 -2.409 6.778 968 HG SER 115 HG SER 115 219.471 -3.543 8.743 969 H VAL 116 HN VAL 116 215.944 -3.615 9.288 970 HA VAL 116 HA VAL 116 215.037 -6.087 7.995 971 HB VAL 116 HB VAL 116 214.338 -6.129 10.746 972 1HG1 VAL 116 HG11 VAL 116 216.006 -8.039 10.759 973 2HG1 VAL 116 HG12 VAL 116 216.328 -7.639 9.072 974 3HG1 VAL 116 HG13 VAL 116 214.708 -8.132 9.569 975 1HG2 VAL 116 HG21 VAL 116 217.178 -5.243 10.272 976 2HG2 VAL 116 HG22 VAL 116 216.676 -6.099 11.729 977 3HG2 VAL 116 HG23 VAL 116 215.974 -4.529 11.344 978 H TYR 117 HN TYR 117 212.796 -6.658 8.453 979 HA TYR 117 HA TYR 117 211.042 -4.521 7.949 980 1HB TYR 117 HB2 TYR 117 210.378 -6.699 7.225 981 2HB TYR 117 HB1 TYR 117 210.533 -7.359 8.852 982 HD1 TYR 117 HD1 TYR 117 208.842 -4.285 7.603 983 HD2 TYR 117 HD2 TYR 117 208.426 -8.054 9.526 984 HE1 TYR 117 HE1 TYR 117 206.473 -3.797 8.026 985 HE2 TYR 117 HE2 TYR 117 206.052 -7.577 9.957 986 HH TYR 117 HH TYR 117 204.696 -4.491 9.578 987 H GLY 118 HN GLY 118 211.960 -3.193 9.803 988 1HA GLY 118 HA2 GLY 118 211.526 -2.099 11.773 989 2HA GLY 118 HA1 GLY 118 210.007 -2.982 11.833 990 H LEU 119 HN LEU 119 210.329 -5.376 12.367 991 HA LEU 119 HA LEU 119 210.759 -5.986 14.844 992 1HB LEU 119 HB2 LEU 119 211.682 -7.509 12.436 993 2HB LEU 119 HB1 LEU 119 211.879 -8.178 14.049 994 HG LEU 119 HG LEU 119 209.175 -7.191 13.591 995 1HD1 LEU 119 HD11 LEU 119 210.180 -8.233 11.315 996 2HD1 LEU 119 HD12 LEU 119 208.488 -8.368 11.797 997 3HD1 LEU 119 HD13 LEU 119 209.605 -9.698 12.109 998 1HD2 LEU 119 HD21 LEU 119 209.888 -8.587 15.477 999 2HD2 LEU 119 HD22 LEU 119 210.245 -9.901 14.354 1000 3HD2 LEU 119 HD23 LEU 119 208.587 -9.330 14.546 Start of MODEL 14 1 1H GLY 1 HT1 GLY 1 206.377 -11.746 6.402 2 2H GLY 1 HT2 GLY 1 206.693 -13.201 5.600 3 3H GLY 1 HT3 GLY 1 207.325 -12.933 7.146 4 1HA GLY 1 HA1 GLY 1 204.418 -13.019 6.587 5 2HA GLY 1 HA2 GLY 1 205.341 -14.442 7.044 6 H SER 2 HN SER 2 205.550 -11.090 8.201 7 HA SER 2 HA SER 2 204.320 -11.720 10.716 8 1HB SER 2 HB2 SER 2 207.152 -10.843 11.045 9 2HB SER 2 HB1 SER 2 206.138 -11.802 12.124 10 HG SER 2 HG SER 2 207.662 -13.153 11.219 11 H MET 3 HN MET 3 203.718 -9.830 8.782 12 HA MET 3 HA MET 3 204.766 -7.281 9.723 13 1HB MET 3 HB2 MET 3 202.945 -8.049 7.446 14 2HB MET 3 HB1 MET 3 203.222 -6.374 7.900 15 1HG MET 3 HG2 MET 3 205.710 -6.910 7.610 16 2HG MET 3 HG1 MET 3 205.158 -8.354 6.764 17 1HE MET 3 HE1 MET 3 205.054 -4.424 6.854 18 2HE MET 3 HE2 MET 3 205.424 -4.142 5.154 19 3HE MET 3 HE3 MET 3 206.557 -5.043 6.164 20 H LYS 4 HN LYS 4 203.342 -5.539 10.329 21 HA LYS 4 HA LYS 4 200.798 -6.452 11.504 22 1HB LYS 4 HB2 LYS 4 203.068 -4.997 12.754 23 2HB LYS 4 HB1 LYS 4 201.448 -4.491 13.211 24 1HG LYS 4 HG2 LYS 4 201.958 -6.068 14.814 25 2HG LYS 4 HG1 LYS 4 201.036 -7.005 13.638 26 1HD LYS 4 HD2 LYS 4 203.571 -7.269 12.677 27 2HD LYS 4 HD1 LYS 4 203.858 -7.202 14.417 28 1HE LYS 4 HE2 LYS 4 201.947 -8.938 14.561 29 2HE LYS 4 HE1 LYS 4 202.252 -9.181 12.841 30 1HZ LYS 4 HZ1 LYS 4 203.721 -10.674 13.614 31 2HZ LYS 4 HZ2 LYS 4 203.859 -9.943 15.132 32 3HZ LYS 4 HZ3 LYS 4 204.726 -9.328 13.816 33 H PHE 5 HN PHE 5 199.368 -5.574 10.108 34 HA PHE 5 HA PHE 5 199.589 -2.685 9.559 35 1HB PHE 5 HB2 PHE 5 198.492 -4.949 7.906 36 2HB PHE 5 HB1 PHE 5 198.024 -3.281 7.596 37 HD1 PHE 5 HD1 PHE 5 201.257 -4.959 8.402 38 HD2 PHE 5 HD2 PHE 5 199.078 -2.460 5.738 39 HE1 PHE 5 HE1 PHE 5 203.279 -4.646 7.046 40 HE2 PHE 5 HE2 PHE 5 201.101 -2.143 4.375 41 HZ PHE 5 HZ PHE 5 203.207 -3.238 5.028 42 H VAL 6 HN VAL 6 197.446 -1.597 9.203 43 HA VAL 6 HA VAL 6 195.296 -2.813 10.778 44 HB VAL 6 HB VAL 6 196.551 -1.237 12.241 45 1HG1 VAL 6 HG11 VAL 6 197.216 0.375 10.514 46 2HG1 VAL 6 HG12 VAL 6 196.413 1.150 11.877 47 3HG1 VAL 6 HG13 VAL 6 195.536 0.894 10.368 48 1HG2 VAL 6 HG21 VAL 6 194.476 -1.432 13.110 49 2HG2 VAL 6 HG22 VAL 6 193.684 -1.017 11.590 50 3HG2 VAL 6 HG23 VAL 6 194.352 0.255 12.612 51 H TYR 7 HN TYR 7 196.200 -0.169 8.579 52 HA TYR 7 HA TYR 7 193.505 0.369 7.799 53 1HB TYR 7 HB2 TYR 7 195.250 2.076 7.519 54 2HB TYR 7 HB1 TYR 7 196.092 1.041 6.372 55 HD1 TYR 7 HD1 TYR 7 192.683 2.498 6.863 56 HD2 TYR 7 HD2 TYR 7 195.782 1.471 4.134 57 HE1 TYR 7 HE1 TYR 7 191.374 3.466 5.022 58 HE2 TYR 7 HE2 TYR 7 194.483 2.439 2.283 59 HH TYR 7 HH TYR 7 192.009 2.898 1.815 60 H LYS 8 HN LYS 8 196.214 -1.077 5.973 61 HA LYS 8 HA LYS 8 194.553 -2.188 3.969 62 1HB LYS 8 HB2 LYS 8 196.720 -1.999 3.207 63 2HB LYS 8 HB1 LYS 8 197.424 -2.424 4.752 64 1HG LYS 8 HG2 LYS 8 197.995 -4.204 3.397 65 2HG LYS 8 HG1 LYS 8 196.560 -4.807 4.226 66 1HD LYS 8 HD2 LYS 8 195.192 -4.173 2.288 67 2HD LYS 8 HD1 LYS 8 196.640 -3.594 1.465 68 1HE LYS 8 HE2 LYS 8 196.898 -6.325 2.454 69 2HE LYS 8 HE1 LYS 8 195.586 -6.131 1.294 70 1HZ LYS 8 HZ1 LYS 8 197.235 -6.427 -0.180 71 2HZ LYS 8 HZ2 LYS 8 198.450 -5.944 0.893 72 3HZ LYS 8 HZ3 LYS 8 197.531 -4.781 0.078 73 H GLU 9 HN GLU 9 195.232 -3.087 7.186 74 HA GLU 9 HA GLU 9 194.629 -5.881 6.844 75 1HB GLU 9 HB2 GLU 9 195.632 -4.165 9.007 76 2HB GLU 9 HB1 GLU 9 194.594 -5.484 9.531 77 1HG GLU 9 HG2 GLU 9 196.735 -6.162 7.613 78 2HG GLU 9 HG1 GLU 9 197.233 -5.724 9.247 79 H GLU 10 HN GLU 10 193.141 -3.023 8.287 80 HA GLU 10 HA GLU 10 190.820 -4.337 9.236 81 1HB GLU 10 HB2 GLU 10 191.510 -1.458 8.714 82 2HB GLU 10 HB1 GLU 10 189.890 -1.925 9.209 83 1HG GLU 10 HG2 GLU 10 192.109 -2.978 10.841 84 2HG GLU 10 HG1 GLU 10 191.824 -1.240 10.924 85 H HIS 11 HN HIS 11 191.190 -2.074 6.491 86 HA HIS 11 HA HIS 11 188.667 -2.350 5.393 87 1HB HIS 11 HB2 HIS 11 191.346 -1.657 4.302 88 2HB HIS 11 HB1 HIS 11 190.079 -2.039 3.140 89 HD1 HIS 11 HD1 HIS 11 190.899 0.420 5.882 90 HD2 HIS 11 HD2 HIS 11 188.205 -0.059 2.753 91 HE1 HIS 11 HE1 HIS 11 189.688 2.616 5.694 92 HE2 HIS 11 HE2 HIS 11 188.000 2.272 3.857 93 HA PRO 12 HA PRO 12 188.580 -6.866 4.744 94 1HB PRO 12 HB2 PRO 12 186.396 -5.984 2.967 95 2HB PRO 12 HB1 PRO 12 186.392 -7.212 4.232 96 1HG PRO 12 HG2 PRO 12 185.347 -4.635 4.462 97 2HG PRO 12 HG1 PRO 12 185.709 -5.732 5.802 98 1HD PRO 12 HD2 PRO 12 187.000 -3.270 5.139 99 2HD PRO 12 HD1 PRO 12 187.387 -4.385 6.458 100 H PHE 13 HN PHE 13 188.547 -8.242 2.797 101 HA PHE 13 HA PHE 13 190.398 -7.350 0.892 102 1HB PHE 13 HB2 PHE 13 189.809 -9.773 1.625 103 2HB PHE 13 HB1 PHE 13 188.576 -9.676 0.373 104 HD1 PHE 13 HD1 PHE 13 191.784 -10.755 1.036 105 HD2 PHE 13 HD2 PHE 13 189.564 -8.676 -1.945 106 HE1 PHE 13 HE1 PHE 13 193.462 -11.383 -0.651 107 HE2 PHE 13 HE2 PHE 13 191.234 -9.304 -3.633 108 HZ PHE 13 HZ PHE 13 193.189 -10.656 -2.990 109 H GLU 14 HN GLU 14 186.903 -7.901 0.650 110 HA GLU 14 HA GLU 14 186.585 -7.221 -2.030 111 1HB GLU 14 HB2 GLU 14 184.897 -7.748 0.192 112 2HB GLU 14 HB1 GLU 14 184.339 -6.250 -0.540 113 1HG GLU 14 HG2 GLU 14 183.495 -7.299 -2.311 114 2HG GLU 14 HG1 GLU 14 184.920 -8.321 -2.498 115 H LYS 15 HN LYS 15 187.263 -5.246 0.704 116 HA LYS 15 HA LYS 15 186.419 -2.776 -0.529 117 1HB LYS 15 HB2 LYS 15 188.127 -3.134 1.931 118 2HB LYS 15 HB1 LYS 15 187.193 -1.715 1.474 119 1HG LYS 15 HG2 LYS 15 185.696 -4.234 1.785 120 2HG LYS 15 HG1 LYS 15 186.351 -3.500 3.247 121 1HD LYS 15 HD2 LYS 15 185.289 -1.368 2.603 122 2HD LYS 15 HD1 LYS 15 184.544 -2.194 1.228 123 1HE LYS 15 HE2 LYS 15 183.838 -3.836 3.254 124 2HE LYS 15 HE1 LYS 15 183.884 -2.289 4.097 125 1HZ LYS 15 HZ1 LYS 15 182.524 -1.588 1.944 126 2HZ LYS 15 HZ2 LYS 15 181.774 -2.196 3.333 127 3HZ LYS 15 HZ3 LYS 15 182.068 -3.216 2.017 128 H ARG 16 HN ARG 16 189.550 -4.144 0.510 129 HA ARG 16 HA ARG 16 191.125 -2.144 -0.687 130 1HB ARG 16 HB2 ARG 16 192.136 -4.950 -0.494 131 2HB ARG 16 HB1 ARG 16 192.989 -3.450 -0.201 132 1HG ARG 16 HG2 ARG 16 192.571 -3.552 1.973 133 2HG ARG 16 HG1 ARG 16 190.852 -3.844 1.709 134 1HD ARG 16 HD2 ARG 16 191.183 -5.935 2.419 135 2HD ARG 16 HD1 ARG 16 192.115 -6.218 0.956 136 HE ARG 16 HE ARG 16 193.617 -5.035 3.108 137 1HH1 ARG 16 HH11 ARG 16 192.538 -8.013 1.638 138 2HH1 ARG 16 HH12 ARG 16 193.809 -8.962 2.332 139 1HH2 ARG 16 HH21 ARG 16 195.288 -6.285 4.024 140 2HH2 ARG 16 HH22 ARG 16 195.370 -7.982 3.685 141 H ARG 17 HN ARG 17 190.101 -5.341 -1.838 142 HA ARG 17 HA ARG 17 191.373 -5.297 -4.329 143 1HB ARG 17 HB2 ARG 17 190.252 -7.269 -3.230 144 2HB ARG 17 HB1 ARG 17 188.715 -6.596 -3.762 145 1HG ARG 17 HG2 ARG 17 190.020 -6.585 -6.096 146 2HG ARG 17 HG1 ARG 17 190.837 -7.938 -5.312 147 1HD ARG 17 HD2 ARG 17 188.845 -9.140 -5.065 148 2HD ARG 17 HD1 ARG 17 187.852 -7.718 -5.372 149 HE ARG 17 HE ARG 17 188.105 -8.051 -7.635 150 1HH1 ARG 17 HH11 ARG 17 190.299 -10.140 -5.899 151 2HH1 ARG 17 HH12 ARG 17 190.710 -11.075 -7.296 152 1HH2 ARG 17 HH21 ARG 17 188.646 -9.282 -9.472 153 2HH2 ARG 17 HH22 ARG 17 189.774 -10.588 -9.325 154 H SER 18 HN SER 18 188.117 -4.255 -3.381 155 HA SER 18 HA SER 18 187.049 -3.553 -5.792 156 1HB SER 18 HB2 SER 18 185.638 -3.359 -3.907 157 2HB SER 18 HB1 SER 18 186.765 -2.297 -3.064 158 HG SER 18 HG SER 18 186.251 -0.659 -4.503 159 H GLU 19 HN GLU 19 189.358 -1.759 -3.844 160 HA GLU 19 HA GLU 19 189.356 0.554 -5.540 161 1HB GLU 19 HB2 GLU 19 190.681 -0.308 -3.068 162 2HB GLU 19 HB1 GLU 19 191.685 0.696 -4.104 163 1HG GLU 19 HG2 GLU 19 190.583 2.529 -3.544 164 2HG GLU 19 HG1 GLU 19 189.022 1.772 -3.853 165 H GLY 20 HN GLY 20 191.493 -2.226 -5.033 166 1HA GLY 20 HA2 GLY 20 193.510 -1.430 -6.830 167 2HA GLY 20 HA1 GLY 20 193.209 -3.077 -6.297 168 H GLU 21 HN GLU 21 190.749 -3.627 -7.306 169 HA GLU 21 HA GLU 21 191.294 -4.286 -9.949 170 1HB GLU 21 HB2 GLU 21 189.704 -5.616 -8.907 171 2HB GLU 21 HB1 GLU 21 188.799 -4.239 -8.294 172 1HG GLU 21 HG2 GLU 21 187.581 -4.038 -10.163 173 2HG GLU 21 HG1 GLU 21 188.932 -4.457 -11.216 174 H LYS 22 HN LYS 22 189.961 -1.371 -8.603 175 HA LYS 22 HA LYS 22 189.034 -0.480 -11.218 176 1HB LYS 22 HB2 LYS 22 187.524 0.102 -9.522 177 2HB LYS 22 HB1 LYS 22 188.800 0.637 -8.438 178 1HG LYS 22 HG2 LYS 22 188.596 2.126 -10.965 179 2HG LYS 22 HG1 LYS 22 187.217 2.287 -9.875 180 1HD LYS 22 HD2 LYS 22 189.342 2.548 -8.167 181 2HD LYS 22 HD1 LYS 22 189.941 3.329 -9.632 182 1HE LYS 22 HE2 LYS 22 187.676 4.555 -9.644 183 2HE LYS 22 HE1 LYS 22 187.546 4.027 -7.967 184 1HZ LYS 22 HZ1 LYS 22 188.525 6.101 -7.808 185 2HZ LYS 22 HZ2 LYS 22 189.499 5.878 -9.173 186 3HZ LYS 22 HZ3 LYS 22 189.863 5.069 -7.732 187 H ILE 23 HN ILE 23 191.281 0.592 -8.696 188 HA ILE 23 HA ILE 23 192.439 2.737 -10.037 189 HB ILE 23 HB ILE 23 193.478 0.833 -7.953 190 1HG1 ILE 23 HG12 ILE 23 193.160 3.709 -7.407 191 2HG1 ILE 23 HG11 ILE 23 191.670 2.849 -7.777 192 1HG2 ILE 23 HG21 ILE 23 194.900 3.381 -8.625 193 2HG2 ILE 23 HG22 ILE 23 195.330 1.861 -9.409 194 3HG2 ILE 23 HG23 ILE 23 195.459 2.019 -7.660 195 1HD1 ILE 23 HD11 ILE 23 193.055 2.987 -5.347 196 2HD1 ILE 23 HD12 ILE 23 193.202 1.326 -5.924 197 3HD1 ILE 23 HD13 ILE 23 191.606 2.054 -5.725 198 H ARG 24 HN ARG 24 192.804 -0.669 -10.489 199 HA ARG 24 HA ARG 24 195.263 -0.455 -11.996 200 1HB ARG 24 HB2 ARG 24 193.418 -2.757 -11.359 201 2HB ARG 24 HB1 ARG 24 194.880 -2.922 -12.331 202 1HG ARG 24 HG2 ARG 24 194.847 -1.871 -9.514 203 2HG ARG 24 HG1 ARG 24 195.143 -3.559 -9.938 204 1HD ARG 24 HD2 ARG 24 196.767 -1.253 -10.990 205 2HD ARG 24 HD1 ARG 24 197.198 -2.171 -9.552 206 HE ARG 24 HE ARG 24 197.373 -4.140 -11.004 207 1HH1 ARG 24 HH11 ARG 24 197.483 -0.988 -12.522 208 2HH1 ARG 24 HH12 ARG 24 198.335 -1.560 -13.914 209 1HH2 ARG 24 HH21 ARG 24 198.492 -4.876 -12.836 210 2HH2 ARG 24 HH22 ARG 24 198.906 -3.761 -14.094 211 H LYS 25 HN LYS 25 191.829 -0.959 -12.613 212 HA LYS 25 HA LYS 25 192.161 -1.524 -15.386 213 1HB LYS 25 HB2 LYS 25 189.763 -0.749 -13.738 214 2HB LYS 25 HB1 LYS 25 189.677 -1.192 -15.442 215 1HG LYS 25 HG2 LYS 25 190.471 -3.397 -14.975 216 2HG LYS 25 HG1 LYS 25 190.811 -2.967 -13.296 217 1HD LYS 25 HD2 LYS 25 188.744 -4.234 -13.427 218 2HD LYS 25 HD1 LYS 25 188.398 -2.572 -12.944 219 1HE LYS 25 HE2 LYS 25 186.973 -2.405 -14.638 220 2HE LYS 25 HE1 LYS 25 188.312 -2.640 -15.761 221 1HZ LYS 25 HZ1 LYS 25 187.746 -4.773 -16.129 222 2HZ LYS 25 HZ2 LYS 25 186.215 -4.261 -15.625 223 3HZ LYS 25 HZ3 LYS 25 187.242 -5.047 -14.536 224 H LYS 26 HN LYS 26 191.188 1.383 -13.574 225 HA LYS 26 HA LYS 26 190.945 2.896 -15.994 226 1HB LYS 26 HB2 LYS 26 189.728 3.199 -13.681 227 2HB LYS 26 HB1 LYS 26 191.079 4.291 -13.401 228 1HG LYS 26 HG2 LYS 26 190.344 5.028 -15.888 229 2HG LYS 26 HG1 LYS 26 188.784 4.546 -15.213 230 1HD LYS 26 HD2 LYS 26 190.705 6.544 -14.038 231 2HD LYS 26 HD1 LYS 26 189.190 6.915 -14.860 232 1HE LYS 26 HE2 LYS 26 187.923 5.814 -13.133 233 2HE LYS 26 HE1 LYS 26 189.402 5.264 -12.347 234 1HZ LYS 26 HZ1 LYS 26 189.746 7.260 -11.405 235 2HZ LYS 26 HZ2 LYS 26 188.084 7.468 -11.644 236 3HZ LYS 26 HZ3 LYS 26 189.185 8.129 -12.744 237 H TYR 27 HN TYR 27 193.345 2.461 -13.487 238 HA TYR 27 HA TYR 27 195.099 4.282 -15.000 239 1HB TYR 27 HB2 TYR 27 195.936 3.552 -12.259 240 2HB TYR 27 HB1 TYR 27 196.061 5.089 -13.100 241 HD1 TYR 27 HD1 TYR 27 193.140 5.534 -13.711 242 HD2 TYR 27 HD2 TYR 27 195.112 4.191 -10.192 243 HE1 TYR 27 HE1 TYR 27 191.300 6.423 -12.339 244 HE2 TYR 27 HE2 TYR 27 193.274 5.069 -8.815 245 HH TYR 27 HH TYR 27 191.506 6.753 -8.967 246 HA PRO 28 HA PRO 28 196.937 0.147 -15.624 247 1HB PRO 28 HB2 PRO 28 197.901 1.233 -18.143 248 2HB PRO 28 HB1 PRO 28 196.757 -0.082 -17.869 249 1HG PRO 28 HG2 PRO 28 196.031 2.316 -18.924 250 2HG PRO 28 HG1 PRO 28 194.934 1.309 -17.962 251 1HD PRO 28 HD2 PRO 28 196.515 3.714 -17.135 252 2HD PRO 28 HD1 PRO 28 194.838 3.273 -16.740 253 H ASP 29 HN ASP 29 198.281 3.345 -15.692 254 HA ASP 29 HA ASP 29 201.015 2.299 -15.661 255 1HB ASP 29 HB2 ASP 29 199.817 5.001 -16.141 256 2HB ASP 29 HB1 ASP 29 201.496 4.878 -15.621 257 H ARG 30 HN ARG 30 198.602 3.238 -13.487 258 HA ARG 30 HA ARG 30 200.540 4.013 -11.427 259 1HB ARG 30 HB2 ARG 30 197.635 4.462 -11.841 260 2HB ARG 30 HB1 ARG 30 198.187 4.313 -10.180 261 1HG ARG 30 HG2 ARG 30 199.865 6.096 -11.730 262 2HG ARG 30 HG1 ARG 30 198.174 6.602 -11.717 263 1HD ARG 30 HD2 ARG 30 198.122 6.726 -9.370 264 2HD ARG 30 HD1 ARG 30 199.639 5.841 -9.209 265 HE ARG 30 HE ARG 30 200.784 7.798 -9.552 266 1HH1 ARG 30 HH11 ARG 30 197.442 8.263 -10.443 267 2HH1 ARG 30 HH12 ARG 30 197.601 9.976 -10.635 268 1HH2 ARG 30 HH21 ARG 30 200.996 10.051 -9.806 269 2HH2 ARG 30 HH22 ARG 30 199.619 10.992 -10.274 270 H VAL 31 HN VAL 31 200.224 3.115 -9.234 271 HA VAL 31 HA VAL 31 199.054 0.429 -9.219 272 HB VAL 31 HB VAL 31 200.970 -0.544 -8.105 273 1HG1 VAL 31 HG11 VAL 31 202.404 0.687 -10.346 274 2HG1 VAL 31 HG12 VAL 31 200.816 0.034 -10.753 275 3HG1 VAL 31 HG13 VAL 31 202.037 -1.007 -10.021 276 1HG2 VAL 31 HG21 VAL 31 201.784 2.220 -7.804 277 2HG2 VAL 31 HG22 VAL 31 203.077 1.230 -8.477 278 3HG2 VAL 31 HG23 VAL 31 202.332 0.781 -6.943 279 HA PRO 32 HA PRO 32 197.477 2.192 -5.400 280 1HB PRO 32 HB2 PRO 32 196.104 -0.013 -4.581 281 2HB PRO 32 HB1 PRO 32 195.495 1.099 -5.813 282 1HG PRO 32 HG2 PRO 32 196.850 -1.545 -6.149 283 2HG PRO 32 HG1 PRO 32 195.457 -0.882 -7.021 284 1HD PRO 32 HD2 PRO 32 197.959 -0.892 -8.057 285 2HD PRO 32 HD1 PRO 32 196.777 0.379 -8.425 286 H VAL 33 HN VAL 33 199.069 2.422 -3.920 287 HA VAL 33 HA VAL 33 200.277 -0.018 -2.829 288 HB VAL 33 HB VAL 33 201.366 2.793 -2.831 289 1HG1 VAL 33 HG11 VAL 33 202.469 2.044 -1.020 290 2HG1 VAL 33 HG12 VAL 33 203.469 1.213 -2.212 291 3HG1 VAL 33 HG13 VAL 33 202.164 0.351 -1.398 292 1HG2 VAL 33 HG21 VAL 33 201.362 1.692 -5.039 293 2HG2 VAL 33 HG22 VAL 33 202.283 0.345 -4.359 294 3HG2 VAL 33 HG23 VAL 33 202.994 1.961 -4.426 295 H ILE 34 HN ILE 34 200.463 -0.361 -0.651 296 HA ILE 34 HA ILE 34 199.020 1.510 1.103 297 HB ILE 34 HB ILE 34 199.205 -1.471 1.561 298 1HG1 ILE 34 HG12 ILE 34 197.818 -1.086 -0.398 299 2HG1 ILE 34 HG11 ILE 34 196.782 -1.488 0.967 300 1HG2 ILE 34 HG21 ILE 34 197.072 -0.116 2.912 301 2HG2 ILE 34 HG22 ILE 34 198.604 0.688 3.255 302 3HG2 ILE 34 HG23 ILE 34 198.420 -1.033 3.587 303 1HD1 ILE 34 HD11 ILE 34 197.259 1.380 0.574 304 2HD1 ILE 34 HD12 ILE 34 195.770 0.510 0.943 305 3HD1 ILE 34 HD13 ILE 34 196.364 0.576 -0.715 306 H VAL 35 HN VAL 35 201.115 2.520 1.381 307 HA VAL 35 HA VAL 35 203.332 1.178 2.488 308 HB VAL 35 HB VAL 35 202.610 4.086 2.878 309 1HG1 VAL 35 HG11 VAL 35 205.271 4.052 2.721 310 2HG1 VAL 35 HG12 VAL 35 205.014 2.441 3.395 311 3HG1 VAL 35 HG13 VAL 35 204.400 3.865 4.243 312 1HG2 VAL 35 HG21 VAL 35 202.565 3.450 0.501 313 2HG2 VAL 35 HG22 VAL 35 204.202 2.811 0.655 314 3HG2 VAL 35 HG23 VAL 35 203.904 4.537 0.872 315 H GLU 36 HN GLU 36 204.118 1.219 4.693 316 HA GLU 36 HA GLU 36 202.185 1.874 6.775 317 1HB GLU 36 HB2 GLU 36 202.238 -0.680 5.753 318 2HB GLU 36 HB1 GLU 36 203.279 -0.815 7.163 319 1HG GLU 36 HG2 GLU 36 200.828 0.666 7.688 320 2HG GLU 36 HG1 GLU 36 200.545 -0.983 7.143 321 H LYS 37 HN LYS 37 203.087 1.704 8.954 322 HA LYS 37 HA LYS 37 205.967 2.229 8.918 323 1HB LYS 37 HB2 LYS 37 204.022 3.696 10.057 324 2HB LYS 37 HB1 LYS 37 204.362 2.611 11.399 325 1HG LYS 37 HG2 LYS 37 206.868 3.370 10.716 326 2HG LYS 37 HG1 LYS 37 205.950 4.819 10.308 327 1HD LYS 37 HD2 LYS 37 206.540 5.148 12.540 328 2HD LYS 37 HD1 LYS 37 204.881 4.553 12.627 329 1HE LYS 37 HE2 LYS 37 206.166 2.224 12.736 330 2HE LYS 37 HE1 LYS 37 207.414 3.259 13.433 331 1HZ LYS 37 HZ1 LYS 37 205.466 2.155 14.858 332 2HZ LYS 37 HZ2 LYS 37 204.724 3.624 14.472 333 3HZ LYS 37 HZ3 LYS 37 206.207 3.615 15.286 334 H ALA 38 HN ALA 38 206.919 0.259 8.980 335 HA ALA 38 HA ALA 38 206.199 -2.082 10.120 336 1HB ALA 38 HB1 ALA 38 208.248 -1.702 8.797 337 2HB ALA 38 HB2 ALA 38 208.534 -2.667 10.247 338 3HB ALA 38 HB3 ALA 38 208.995 -0.960 10.219 339 HA PRO 39 HA PRO 39 205.741 -1.593 14.504 340 1HB PRO 39 HB2 PRO 39 206.738 -4.108 15.194 341 2HB PRO 39 HB1 PRO 39 205.052 -3.737 14.806 342 1HG PRO 39 HG2 PRO 39 207.197 -4.859 13.082 343 2HG PRO 39 HG1 PRO 39 205.477 -5.270 13.137 344 1HD PRO 39 HD2 PRO 39 206.465 -3.765 11.175 345 2HD PRO 39 HD1 PRO 39 204.874 -3.403 11.880 346 H LYS 40 HN LYS 40 207.020 -1.157 16.275 347 HA LYS 40 HA LYS 40 208.878 -0.675 17.488 348 1HB LYS 40 HB2 LYS 40 210.143 -2.679 15.621 349 2HB LYS 40 HB1 LYS 40 211.022 -1.892 16.922 350 1HG LYS 40 HG2 LYS 40 210.409 -3.769 18.020 351 2HG LYS 40 HG1 LYS 40 208.966 -2.805 18.339 352 1HD LYS 40 HD2 LYS 40 208.532 -4.034 15.856 353 2HD LYS 40 HD1 LYS 40 209.228 -5.285 16.889 354 1HE LYS 40 HE2 LYS 40 207.525 -4.619 18.630 355 2HE LYS 40 HE1 LYS 40 206.757 -3.634 17.385 356 1HZ LYS 40 HZ1 LYS 40 205.604 -5.531 17.068 357 2HZ LYS 40 HZ2 LYS 40 206.823 -6.528 17.685 358 3HZ LYS 40 HZ3 LYS 40 206.933 -5.939 16.102 359 H ALA 41 HN ALA 41 208.744 -0.065 14.108 360 HA ALA 41 HA ALA 41 211.070 1.215 13.490 361 1HB ALA 41 HB1 ALA 41 209.531 1.013 11.749 362 2HB ALA 41 HB2 ALA 41 209.565 2.749 12.077 363 3HB ALA 41 HB3 ALA 41 208.238 1.764 12.683 364 H ARG 42 HN ARG 42 211.991 3.132 13.972 365 HA ARG 42 HA ARG 42 210.886 4.614 16.218 366 1HB ARG 42 HB2 ARG 42 213.596 5.032 14.971 367 2HB ARG 42 HB1 ARG 42 213.068 5.478 16.588 368 1HG ARG 42 HG2 ARG 42 213.197 3.303 17.372 369 2HG ARG 42 HG1 ARG 42 213.116 2.609 15.751 370 1HD ARG 42 HD2 ARG 42 215.338 2.361 16.044 371 2HD ARG 42 HD1 ARG 42 215.377 4.047 15.529 372 HE ARG 42 HE ARG 42 215.057 3.759 18.359 373 1HH1 ARG 42 HH11 ARG 42 217.393 3.794 15.766 374 2HH1 ARG 42 HH12 ARG 42 218.704 4.281 16.786 375 1HH2 ARG 42 HH21 ARG 42 216.782 4.400 19.703 376 2HH2 ARG 42 HH22 ARG 42 218.358 4.625 19.021 377 H ILE 43 HN ILE 43 209.646 4.928 13.766 378 HA ILE 43 HA ILE 43 210.207 7.762 13.151 379 HB ILE 43 HB ILE 43 208.990 7.061 10.933 380 1HG1 ILE 43 HG12 ILE 43 210.359 4.513 11.793 381 2HG1 ILE 43 HG11 ILE 43 208.617 4.739 11.665 382 1HG2 ILE 43 HG21 ILE 43 211.737 6.134 10.766 383 2HG2 ILE 43 HG22 ILE 43 211.576 7.653 11.646 384 3HG2 ILE 43 HG23 ILE 43 210.959 7.517 10.000 385 1HD1 ILE 43 HD11 ILE 43 210.592 4.186 9.614 386 2HD1 ILE 43 HD12 ILE 43 209.484 5.495 9.202 387 3HD1 ILE 43 HD13 ILE 43 208.851 3.902 9.635 388 H GLY 44 HN GLY 44 208.256 8.751 12.013 389 1HA GLY 44 HA2 GLY 44 206.091 8.702 13.876 390 2HA GLY 44 HA1 GLY 44 206.181 9.667 12.410 391 H ASP 45 HN ASP 45 204.066 7.891 13.715 392 HA ASP 45 HA ASP 45 203.627 5.760 11.851 393 1HB ASP 45 HB2 ASP 45 201.549 5.400 13.034 394 2HB ASP 45 HB1 ASP 45 202.828 5.703 14.206 395 H LEU 46 HN LEU 46 202.540 5.770 10.005 396 HA LEU 46 HA LEU 46 201.511 8.304 9.028 397 1HB LEU 46 HB2 LEU 46 202.561 5.830 7.865 398 2HB LEU 46 HB1 LEU 46 201.184 6.487 6.998 399 HG LEU 46 HG LEU 46 203.751 7.951 7.597 400 1HD1 LEU 46 HD11 LEU 46 204.439 6.672 5.880 401 2HD1 LEU 46 HD12 LEU 46 203.559 7.862 4.919 402 3HD1 LEU 46 HD13 LEU 46 202.795 6.325 5.336 403 1HD2 LEU 46 HD21 LEU 46 201.959 9.067 5.599 404 2HD2 LEU 46 HD22 LEU 46 202.797 9.852 6.939 405 3HD2 LEU 46 HD23 LEU 46 201.257 9.039 7.217 406 H ASP 47 HN ASP 47 199.422 8.788 8.843 407 HA ASP 47 HA ASP 47 197.454 6.694 9.442 408 1HB ASP 47 HB2 ASP 47 195.901 8.625 9.840 409 2HB ASP 47 HB1 ASP 47 197.286 8.578 10.926 410 H LYS 48 HN LYS 48 198.762 7.088 6.831 411 HA LYS 48 HA LYS 48 196.396 7.744 5.202 412 1HB LYS 48 HB2 LYS 48 198.254 9.274 4.791 413 2HB LYS 48 HB1 LYS 48 199.330 7.919 4.486 414 1HG LYS 48 HG2 LYS 48 197.645 7.329 2.605 415 2HG LYS 48 HG1 LYS 48 197.133 9.009 2.784 416 1HD LYS 48 HD2 LYS 48 199.841 9.280 2.701 417 2HD LYS 48 HD1 LYS 48 199.598 7.893 1.637 418 1HE LYS 48 HE2 LYS 48 199.562 10.021 0.410 419 2HE LYS 48 HE1 LYS 48 198.030 9.158 0.291 420 1HZ LYS 48 HZ1 LYS 48 198.124 10.982 2.505 421 2HZ LYS 48 HZ2 LYS 48 196.956 10.814 1.294 422 3HZ LYS 48 HZ3 LYS 48 198.332 11.755 1.014 423 H LYS 49 HN LYS 49 199.371 5.798 5.022 424 HA LYS 49 HA LYS 49 199.779 3.670 4.382 425 1HB LYS 49 HB2 LYS 49 196.857 3.482 5.000 426 2HB LYS 49 HB1 LYS 49 197.641 2.136 4.181 427 1HG LYS 49 HG2 LYS 49 199.165 3.045 6.470 428 2HG LYS 49 HG1 LYS 49 197.522 2.574 6.907 429 1HD LYS 49 HD2 LYS 49 198.261 0.567 5.203 430 2HD LYS 49 HD1 LYS 49 199.781 0.934 6.019 431 1HE LYS 49 HE2 LYS 49 197.192 -0.026 7.178 432 2HE LYS 49 HE1 LYS 49 198.807 -0.695 7.365 433 1HZ LYS 49 HZ1 LYS 49 197.506 1.399 8.859 434 2HZ LYS 49 HZ2 LYS 49 199.100 1.754 8.422 435 3HZ LYS 49 HZ3 LYS 49 198.761 0.361 9.318 436 H LYS 50 HN LYS 50 196.776 4.747 2.761 437 HA LYS 50 HA LYS 50 197.303 3.353 0.366 438 1HB LYS 50 HB2 LYS 50 195.311 5.241 1.359 439 2HB LYS 50 HB1 LYS 50 195.650 5.453 -0.353 440 1HG LYS 50 HG2 LYS 50 195.266 2.668 0.465 441 2HG LYS 50 HG1 LYS 50 193.851 3.701 0.679 442 1HD LYS 50 HD2 LYS 50 193.730 2.752 -1.508 443 2HD LYS 50 HD1 LYS 50 194.155 4.456 -1.690 444 1HE LYS 50 HE2 LYS 50 196.338 3.982 -2.288 445 2HE LYS 50 HE1 LYS 50 196.304 2.390 -1.530 446 1HZ LYS 50 HZ1 LYS 50 195.511 1.450 -3.379 447 2HZ LYS 50 HZ2 LYS 50 196.040 2.846 -4.171 448 3HZ LYS 50 HZ3 LYS 50 194.423 2.707 -3.693 449 H TYR 51 HN TYR 51 198.258 3.915 -1.514 450 HA TYR 51 HA TYR 51 199.166 6.636 -1.962 451 1HB TYR 51 HB2 TYR 51 201.040 4.314 -1.564 452 2HB TYR 51 HB1 TYR 51 201.502 5.720 -2.518 453 HD1 TYR 51 HD1 TYR 51 200.756 4.470 0.821 454 HD2 TYR 51 HD2 TYR 51 201.891 7.867 -1.457 455 HE1 TYR 51 HE1 TYR 51 201.407 5.631 2.893 456 HE2 TYR 51 HE2 TYR 51 202.550 9.041 0.596 457 HH TYR 51 HH TYR 51 203.316 8.296 2.980 458 H LEU 52 HN LEU 52 198.623 7.081 -3.980 459 HA LEU 52 HA LEU 52 198.409 4.892 -5.912 460 1HB LEU 52 HB2 LEU 52 196.707 6.945 -5.395 461 2HB LEU 52 HB1 LEU 52 197.630 7.625 -6.721 462 HG LEU 52 HG LEU 52 196.993 5.806 -8.178 463 1HD1 LEU 52 HD11 LEU 52 195.020 4.435 -6.703 464 2HD1 LEU 52 HD12 LEU 52 196.481 4.450 -5.717 465 3HD1 LEU 52 HD13 LEU 52 196.530 3.802 -7.355 466 1HD2 LEU 52 HD21 LEU 52 194.370 6.373 -6.951 467 2HD2 LEU 52 HD22 LEU 52 194.921 6.591 -8.612 468 3HD2 LEU 52 HD23 LEU 52 195.352 7.774 -7.377 469 H VAL 53 HN VAL 53 200.770 4.776 -5.926 470 HA VAL 53 HA VAL 53 202.133 6.937 -7.333 471 HB VAL 53 HB VAL 53 204.104 5.177 -7.063 472 1HG1 VAL 53 HG11 VAL 53 203.525 7.522 -5.945 473 2HG1 VAL 53 HG12 VAL 53 204.890 6.535 -5.421 474 3HG1 VAL 53 HG13 VAL 53 203.378 6.502 -4.514 475 1HG2 VAL 53 HG21 VAL 53 202.336 4.475 -4.725 476 2HG2 VAL 53 HG22 VAL 53 203.937 3.830 -5.093 477 3HG2 VAL 53 HG23 VAL 53 202.569 3.444 -6.137 478 HA PRO 54 HA PRO 54 202.153 5.147 -11.352 479 1HB PRO 54 HB2 PRO 54 205.074 5.587 -11.486 480 2HB PRO 54 HB1 PRO 54 203.791 6.234 -12.514 481 1HG PRO 54 HG2 PRO 54 205.061 7.785 -10.746 482 2HG PRO 54 HG1 PRO 54 203.327 7.978 -11.067 483 1HD PRO 54 HD2 PRO 54 204.693 6.653 -8.757 484 2HD PRO 54 HD1 PRO 54 203.245 7.681 -8.773 485 H SER 55 HN SER 55 203.893 3.730 -12.723 486 HA SER 55 HA SER 55 204.427 1.376 -11.035 487 1HB SER 55 HB2 SER 55 202.972 1.638 -13.486 488 2HB SER 55 HB1 SER 55 204.379 0.613 -13.767 489 HG SER 55 HG SER 55 203.515 -0.889 -12.574 490 H ASP 56 HN ASP 56 205.885 3.817 -12.823 491 HA ASP 56 HA ASP 56 208.295 2.211 -13.307 492 1HB ASP 56 HB2 ASP 56 207.079 3.791 -15.087 493 2HB ASP 56 HB1 ASP 56 208.069 5.015 -14.296 494 H LEU 57 HN LEU 57 206.902 4.299 -11.120 495 HA LEU 57 HA LEU 57 208.995 5.993 -10.395 496 1HB LEU 57 HB2 LEU 57 206.591 6.107 -9.629 497 2HB LEU 57 HB1 LEU 57 206.970 4.814 -8.503 498 HG LEU 57 HG LEU 57 208.869 6.432 -7.723 499 1HD1 LEU 57 HD11 LEU 57 208.117 7.988 -9.689 500 2HD1 LEU 57 HD12 LEU 57 208.654 8.664 -8.153 501 3HD1 LEU 57 HD13 LEU 57 206.932 8.545 -8.508 502 1HD2 LEU 57 HD21 LEU 57 206.732 5.649 -6.529 503 2HD2 LEU 57 HD22 LEU 57 206.088 7.234 -6.959 504 3HD2 LEU 57 HD23 LEU 57 207.532 7.112 -5.951 505 H THR 58 HN THR 58 210.978 5.397 -9.809 506 HA THR 58 HA THR 58 211.598 2.792 -8.878 507 HB THR 58 HB THR 58 213.863 3.731 -8.447 508 HG1 THR 58 HG1 THR 58 213.203 5.846 -7.907 509 1HG2 THR 58 HG21 THR 58 214.167 3.184 -10.559 510 2HG2 THR 58 HG22 THR 58 213.761 4.847 -10.990 511 3HG2 THR 58 HG23 THR 58 212.503 3.608 -10.967 512 H VAL 59 HN VAL 59 212.435 2.151 -6.892 513 HA VAL 59 HA VAL 59 210.944 2.837 -4.669 514 HB VAL 59 HB VAL 59 213.549 1.418 -5.032 515 1HG1 VAL 59 HG11 VAL 59 212.293 2.093 -2.374 516 2HG1 VAL 59 HG12 VAL 59 213.912 2.519 -2.931 517 3HG1 VAL 59 HG13 VAL 59 213.507 0.834 -2.601 518 1HG2 VAL 59 HG21 VAL 59 211.006 0.602 -5.305 519 2HG2 VAL 59 HG22 VAL 59 211.272 0.211 -3.605 520 3HG2 VAL 59 HG23 VAL 59 212.331 -0.467 -4.843 521 H GLY 60 HN GLY 60 213.957 4.200 -5.850 522 1HA GLY 60 HA2 GLY 60 214.711 5.647 -3.559 523 2HA GLY 60 HA1 GLY 60 215.135 6.069 -5.213 524 H GLN 61 HN GLN 61 212.436 6.347 -6.136 525 HA GLN 61 HA GLN 61 211.943 9.057 -5.348 526 1HB GLN 61 HB2 GLN 61 210.420 7.180 -7.138 527 2HB GLN 61 HB1 GLN 61 210.041 8.886 -6.920 528 1HG GLN 61 HG2 GLN 61 212.276 9.461 -7.723 529 2HG GLN 61 HG1 GLN 61 212.597 7.753 -8.003 530 1HE2 GLN 61 HE21 GLN 61 210.231 6.917 -9.080 531 2HE2 GLN 61 HE22 GLN 61 209.969 7.677 -10.610 532 H PHE 62 HN PHE 62 210.173 5.998 -5.058 533 HA PHE 62 HA PHE 62 207.916 6.859 -3.733 534 1HB PHE 62 HB2 PHE 62 208.544 4.494 -4.537 535 2HB PHE 62 HB1 PHE 62 209.307 4.305 -2.961 536 HD1 PHE 62 HD1 PHE 62 206.150 6.045 -3.850 537 HD2 PHE 62 HD2 PHE 62 207.979 2.770 -1.845 538 HE1 PHE 62 HE1 PHE 62 203.975 5.429 -2.884 539 HE2 PHE 62 HE2 PHE 62 205.806 2.147 -0.874 540 HZ PHE 62 HZ PHE 62 203.802 3.481 -1.396 541 H TYR 63 HN TYR 63 211.081 6.064 -2.379 542 HA TYR 63 HA TYR 63 210.531 6.231 0.333 543 1HB TYR 63 HB2 TYR 63 212.924 6.661 -1.370 544 2HB TYR 63 HB1 TYR 63 212.997 7.318 0.260 545 HD1 TYR 63 HD1 TYR 63 213.769 4.586 -1.684 546 HD2 TYR 63 HD2 TYR 63 212.138 5.552 2.116 547 HE1 TYR 63 HE1 TYR 63 214.428 2.368 -0.846 548 HE2 TYR 63 HE2 TYR 63 212.790 3.350 2.971 549 HH TYR 63 HH TYR 63 213.894 0.824 0.899 550 H PHE 64 HN PHE 64 212.091 8.771 -1.528 551 HA PHE 64 HA PHE 64 211.979 10.890 0.122 552 1HB PHE 64 HB2 PHE 64 213.025 11.310 -1.902 553 2HB PHE 64 HB1 PHE 64 211.695 10.652 -2.844 554 HD1 PHE 64 HD1 PHE 64 212.690 13.559 -0.764 555 HD2 PHE 64 HD2 PHE 64 210.095 12.050 -3.781 556 HE1 PHE 64 HE1 PHE 64 211.868 15.838 -1.190 557 HE2 PHE 64 HE2 PHE 64 209.268 14.329 -4.213 558 HZ PHE 64 HZ PHE 64 210.156 16.226 -2.917 559 H LEU 65 HN LEU 65 209.219 9.689 -1.760 560 HA LEU 65 HA LEU 65 207.511 11.846 -1.092 561 1HB LEU 65 HB2 LEU 65 206.145 10.892 -2.558 562 2HB LEU 65 HB1 LEU 65 207.422 9.723 -2.835 563 HG LEU 65 HG LEU 65 206.389 8.381 -0.954 564 1HD1 LEU 65 HD11 LEU 65 204.847 10.607 -0.605 565 2HD1 LEU 65 HD12 LEU 65 204.441 8.998 -0.008 566 3HD1 LEU 65 HD13 LEU 65 203.769 9.565 -1.535 567 1HD2 LEU 65 HD21 LEU 65 206.236 7.932 -3.431 568 2HD2 LEU 65 HD22 LEU 65 204.664 8.728 -3.396 569 3HD2 LEU 65 HD23 LEU 65 204.929 7.261 -2.455 570 H ILE 66 HN ILE 66 208.113 8.685 0.340 571 HA ILE 66 HA ILE 66 206.084 8.940 2.342 572 HB ILE 66 HB ILE 66 208.460 7.090 2.156 573 1HG1 ILE 66 HG12 ILE 66 206.882 6.781 0.327 574 2HG1 ILE 66 HG11 ILE 66 206.795 5.418 1.438 575 1HG2 ILE 66 HG21 ILE 66 208.019 6.751 4.337 576 2HG2 ILE 66 HG22 ILE 66 206.678 5.784 3.718 577 3HG2 ILE 66 HG23 ILE 66 206.403 7.451 4.227 578 1HD1 ILE 66 HD11 ILE 66 204.885 7.718 1.627 579 2HD1 ILE 66 HD12 ILE 66 204.720 6.082 2.266 580 3HD1 ILE 66 HD13 ILE 66 204.614 6.366 0.529 581 H ARG 67 HN ARG 67 209.554 9.507 2.156 582 HA ARG 67 HA ARG 67 210.307 9.830 4.753 583 1HB ARG 67 HB2 ARG 67 211.331 10.548 2.239 584 2HB ARG 67 HB1 ARG 67 211.349 12.031 3.183 585 1HG ARG 67 HG2 ARG 67 213.105 11.354 4.351 586 2HG ARG 67 HG1 ARG 67 212.344 9.806 4.724 587 1HD ARG 67 HD2 ARG 67 214.372 9.386 3.524 588 2HD ARG 67 HD1 ARG 67 213.009 9.003 2.470 589 HE ARG 67 HE ARG 67 213.579 11.554 1.807 590 1HH1 ARG 67 HH11 ARG 67 215.555 8.690 2.086 591 2HH1 ARG 67 HH12 ARG 67 216.678 9.196 0.868 592 1HH2 ARG 67 HH21 ARG 67 215.055 12.220 0.206 593 2HH2 ARG 67 HH22 ARG 67 216.396 11.200 -0.199 594 H LYS 68 HN LYS 68 208.710 12.321 2.758 595 HA LYS 68 HA LYS 68 208.657 14.270 4.822 596 1HB LYS 68 HB2 LYS 68 206.822 14.041 2.435 597 2HB LYS 68 HB1 LYS 68 207.122 15.484 3.395 598 1HG LYS 68 HG2 LYS 68 209.253 15.775 2.522 599 2HG LYS 68 HG1 LYS 68 209.361 14.097 1.981 600 1HD LYS 68 HD2 LYS 68 207.139 15.551 0.781 601 2HD LYS 68 HD1 LYS 68 208.715 16.253 0.404 602 1HE LYS 68 HE2 LYS 68 209.503 14.174 -0.481 603 2HE LYS 68 HE1 LYS 68 208.068 13.336 0.104 604 1HZ LYS 68 HZ1 LYS 68 208.136 15.402 -2.026 605 2HZ LYS 68 HZ2 LYS 68 206.731 14.675 -1.431 606 3HZ LYS 68 HZ3 LYS 68 207.882 13.744 -2.248 607 H ARG 69 HN ARG 69 206.324 11.891 3.644 608 HA ARG 69 HA ARG 69 204.124 12.551 5.190 609 1HB ARG 69 HB2 ARG 69 205.041 9.756 4.498 610 2HB ARG 69 HB1 ARG 69 203.404 10.249 4.907 611 1HG ARG 69 HG2 ARG 69 204.542 11.739 2.677 612 2HG ARG 69 HG1 ARG 69 204.408 10.005 2.380 613 1HD ARG 69 HD2 ARG 69 202.189 10.103 2.214 614 2HD ARG 69 HD1 ARG 69 202.045 11.105 3.658 615 HE ARG 69 HE ARG 69 202.990 12.505 1.321 616 1HH1 ARG 69 HH11 ARG 69 200.185 11.512 3.147 617 2HH1 ARG 69 HH12 ARG 69 199.175 12.768 2.515 618 1HH2 ARG 69 HH21 ARG 69 201.661 14.157 0.489 619 2HH2 ARG 69 HH22 ARG 69 200.012 14.270 1.006 620 H ILE 70 HN ILE 70 207.125 11.104 6.123 621 HA ILE 70 HA ILE 70 206.070 10.480 8.789 622 HB ILE 70 HB ILE 70 208.715 9.608 8.769 623 1HG1 ILE 70 HG12 ILE 70 207.437 8.595 6.241 624 2HG1 ILE 70 HG11 ILE 70 208.538 9.966 6.231 625 1HG2 ILE 70 HG21 ILE 70 206.273 8.629 9.405 626 2HG2 ILE 70 HG22 ILE 70 207.766 7.691 9.427 627 3HG2 ILE 70 HG23 ILE 70 206.698 7.620 8.024 628 1HD1 ILE 70 HD11 ILE 70 209.361 7.493 5.824 629 2HD1 ILE 70 HD12 ILE 70 209.448 7.502 7.585 630 3HD1 ILE 70 HD13 ILE 70 210.357 8.692 6.650 631 H HIS 71 HN HIS 71 207.868 12.781 7.105 632 HA HIS 71 HA HIS 71 208.731 14.761 7.787 633 1HB HIS 71 HB2 HIS 71 208.426 13.811 10.641 634 2HB HIS 71 HB1 HIS 71 208.707 15.459 10.097 635 HD1 HIS 71 HD1 HIS 71 206.695 16.848 9.544 636 HD2 HIS 71 HD2 HIS 71 205.776 12.820 9.994 637 HE1 HIS 71 HE1 HIS 71 204.184 16.721 9.501 638 HE2 HIS 71 HE2 HIS 71 203.651 14.284 9.846 639 H LEU 72 HN LEU 72 210.365 13.078 6.811 640 HA LEU 72 HA LEU 72 212.682 12.927 8.626 641 1HB LEU 72 HB2 LEU 72 211.771 11.271 6.351 642 2HB LEU 72 HB1 LEU 72 213.504 11.493 6.542 643 HG LEU 72 HG LEU 72 213.228 10.730 8.928 644 1HD1 LEU 72 HD11 LEU 72 211.171 9.281 9.260 645 2HD1 LEU 72 HD12 LEU 72 210.476 10.158 7.897 646 3HD1 LEU 72 HD13 LEU 72 210.956 11.029 9.354 647 1HD2 LEU 72 HD21 LEU 72 213.152 9.169 6.478 648 2HD2 LEU 72 HD22 LEU 72 212.535 8.287 7.876 649 3HD2 LEU 72 HD23 LEU 72 214.159 8.980 7.915 650 H ARG 73 HN ARG 73 214.660 13.719 7.968 651 HA ARG 73 HA ARG 73 214.490 15.808 5.918 652 1HB ARG 73 HB2 ARG 73 216.697 16.549 7.015 653 2HB ARG 73 HB1 ARG 73 215.208 16.771 7.922 654 1HG ARG 73 HG2 ARG 73 216.755 14.264 8.327 655 2HG ARG 73 HG1 ARG 73 217.356 15.761 9.043 656 1HD ARG 73 HD2 ARG 73 214.579 15.632 9.565 657 2HD ARG 73 HD1 ARG 73 215.254 14.048 9.946 658 HE ARG 73 HE ARG 73 215.716 16.521 11.348 659 1HH1 ARG 73 HH11 ARG 73 216.949 13.324 10.683 660 2HH1 ARG 73 HH12 ARG 73 217.893 13.250 12.132 661 1HH2 ARG 73 HH21 ARG 73 216.959 16.426 13.254 662 2HH2 ARG 73 HH22 ARG 73 217.899 15.011 13.592 663 H ALA 74 HN ALA 74 214.705 13.271 4.884 664 HA ALA 74 HA ALA 74 215.869 12.084 3.330 665 1HB ALA 74 HB1 ALA 74 216.582 14.670 2.866 666 2HB ALA 74 HB2 ALA 74 217.058 13.295 1.869 667 3HB ALA 74 HB3 ALA 74 218.152 13.906 3.111 668 H GLU 75 HN GLU 75 218.503 13.702 5.120 669 HA GLU 75 HA GLU 75 220.242 11.569 5.244 670 1HB GLU 75 HB2 GLU 75 219.772 13.774 7.254 671 2HB GLU 75 HB1 GLU 75 221.121 12.650 7.348 672 1HG GLU 75 HG2 GLU 75 221.062 13.740 4.729 673 2HG GLU 75 HG1 GLU 75 220.922 15.065 5.884 674 H ASP 76 HN ASP 76 217.359 12.177 7.082 675 HA ASP 76 HA ASP 76 217.708 10.444 9.243 676 1HB ASP 76 HB2 ASP 76 215.766 12.124 8.578 677 2HB ASP 76 HB1 ASP 76 215.028 10.648 7.970 678 H ALA 77 HN ALA 77 216.569 8.407 9.578 679 HA ALA 77 HA ALA 77 217.268 6.596 7.419 680 1HB ALA 77 HB1 ALA 77 216.930 4.814 9.060 681 2HB ALA 77 HB2 ALA 77 216.415 6.015 10.245 682 3HB ALA 77 HB3 ALA 77 218.067 6.039 9.625 683 H LEU 78 HN LEU 78 215.944 5.344 6.308 684 HA LEU 78 HA LEU 78 213.222 4.846 6.993 685 1HB LEU 78 HB2 LEU 78 212.940 7.121 6.198 686 2HB LEU 78 HB1 LEU 78 213.810 6.746 4.724 687 HG LEU 78 HG LEU 78 212.004 5.196 4.071 688 1HD1 LEU 78 HD11 LEU 78 210.858 6.093 6.690 689 2HD1 LEU 78 HD12 LEU 78 211.072 4.455 6.074 690 3HD1 LEU 78 HD13 LEU 78 209.830 5.501 5.385 691 1HD2 LEU 78 HD21 LEU 78 210.329 6.903 3.561 692 2HD2 LEU 78 HD22 LEU 78 211.965 7.505 3.289 693 3HD2 LEU 78 HD23 LEU 78 211.077 7.989 4.733 694 H PHE 79 HN PHE 79 213.237 2.750 6.480 695 HA PHE 79 HA PHE 79 214.180 1.999 3.790 696 1HB PHE 79 HB2 PHE 79 214.307 0.267 6.269 697 2HB PHE 79 HB1 PHE 79 214.913 -0.146 4.670 698 HD1 PHE 79 HD1 PHE 79 217.097 0.359 4.067 699 HD2 PHE 79 HD2 PHE 79 215.373 2.242 7.472 700 HE1 PHE 79 HE1 PHE 79 219.297 1.288 4.661 701 HE2 PHE 79 HE2 PHE 79 217.569 3.176 8.071 702 HZ PHE 79 HZ PHE 79 219.534 2.701 6.665 703 H PHE 80 HN PHE 80 212.758 0.928 2.546 704 HA PHE 80 HA PHE 80 210.108 0.489 3.590 705 1HB PHE 80 HB2 PHE 80 211.312 0.250 0.840 706 2HB PHE 80 HB1 PHE 80 209.662 -0.261 1.180 707 HD1 PHE 80 HD1 PHE 80 210.695 1.950 -0.723 708 HD2 PHE 80 HD2 PHE 80 209.160 2.004 3.247 709 HE1 PHE 80 HE1 PHE 80 209.923 4.263 -1.051 710 HE2 PHE 80 HE2 PHE 80 208.389 4.315 2.926 711 HZ PHE 80 HZ PHE 80 208.770 5.447 0.775 712 H PHE 81 HN PHE 81 208.979 -1.476 3.580 713 HA PHE 81 HA PHE 81 210.573 -3.898 3.221 714 1HB PHE 81 HB2 PHE 81 209.000 -3.257 5.718 715 2HB PHE 81 HB1 PHE 81 209.770 -4.803 5.373 716 HD1 PHE 81 HD1 PHE 81 210.318 -1.300 6.265 717 HD2 PHE 81 HD2 PHE 81 212.158 -5.062 5.524 718 HE1 PHE 81 HE1 PHE 81 212.415 -0.464 7.246 719 HE2 PHE 81 HE2 PHE 81 214.256 -4.238 6.509 720 HZ PHE 81 HZ PHE 81 214.390 -1.933 7.368 721 H VAL 82 HN VAL 82 209.392 -4.506 1.446 722 HA VAL 82 HA VAL 82 206.497 -4.734 1.676 723 HB VAL 82 HB VAL 82 208.084 -5.565 -0.702 724 1HG1 VAL 82 HG11 VAL 82 205.937 -4.725 -1.818 725 2HG1 VAL 82 HG12 VAL 82 205.251 -4.764 -0.193 726 3HG1 VAL 82 HG13 VAL 82 205.869 -6.245 -0.924 727 1HG2 VAL 82 HG21 VAL 82 208.768 -3.271 -0.077 728 2HG2 VAL 82 HG22 VAL 82 207.078 -2.779 -0.190 729 3HG2 VAL 82 HG23 VAL 82 207.928 -3.347 -1.626 730 H ASN 83 HN ASN 83 205.665 -6.530 2.509 731 HA ASN 83 HA ASN 83 205.360 -8.713 3.074 732 1HB ASN 83 HB2 ASN 83 207.121 -9.140 0.650 733 2HB ASN 83 HB1 ASN 83 206.357 -10.452 1.541 734 1HD2 ASN 83 HD21 ASN 83 206.077 -8.609 -1.111 735 2HD2 ASN 83 HD22 ASN 83 204.366 -8.659 -1.344 736 H ASN 84 HN ASN 84 207.555 -7.069 4.121 737 HA ASN 84 HA ASN 84 209.066 -7.348 5.805 738 1HB ASN 84 HB2 ASN 84 207.883 -9.769 5.865 739 2HB ASN 84 HB1 ASN 84 209.503 -10.247 5.369 740 1HD2 ASN 84 HD21 ASN 84 207.521 -9.528 7.950 741 2HD2 ASN 84 HD22 ASN 84 208.729 -9.357 9.173 742 H VAL 85 HN VAL 85 209.649 -7.044 2.863 743 HA VAL 85 HA VAL 85 212.502 -7.739 3.036 744 HB VAL 85 HB VAL 85 210.991 -7.820 0.452 745 1HG1 VAL 85 HG11 VAL 85 213.052 -9.457 0.086 746 2HG1 VAL 85 HG12 VAL 85 213.743 -8.438 1.350 747 3HG1 VAL 85 HG13 VAL 85 213.178 -7.714 -0.156 748 1HG2 VAL 85 HG21 VAL 85 210.070 -9.489 2.069 749 2HG2 VAL 85 HG22 VAL 85 211.671 -10.225 2.130 750 3HG2 VAL 85 HG23 VAL 85 210.773 -10.193 0.612 751 H ILE 86 HN ILE 86 213.919 -6.297 2.072 752 HA ILE 86 HA ILE 86 212.872 -3.610 1.713 753 HB ILE 86 HB ILE 86 215.727 -4.582 1.780 754 1HG1 ILE 86 HG12 ILE 86 213.790 -3.691 3.864 755 2HG1 ILE 86 HG11 ILE 86 215.034 -4.934 3.946 756 1HG2 ILE 86 HG21 ILE 86 214.968 -1.750 2.285 757 2HG2 ILE 86 HG22 ILE 86 215.001 -2.314 0.614 758 3HG2 ILE 86 HG23 ILE 86 216.452 -2.419 1.610 759 1HD1 ILE 86 HD11 ILE 86 216.744 -3.211 4.116 760 2HD1 ILE 86 HD12 ILE 86 215.544 -3.060 5.398 761 3HD1 ILE 86 HD13 ILE 86 215.500 -1.966 4.019 762 HA PRO 87 HA PRO 87 213.014 -4.358 -2.736 763 1HB PRO 87 HB2 PRO 87 211.836 -2.029 -3.465 764 2HB PRO 87 HB1 PRO 87 210.918 -3.408 -2.846 765 1HG PRO 87 HG2 PRO 87 211.829 -0.941 -1.414 766 2HG PRO 87 HG1 PRO 87 210.262 -1.768 -1.334 767 1HD PRO 87 HD2 PRO 87 212.179 -2.072 0.561 768 2HD PRO 87 HD1 PRO 87 211.035 -3.362 0.136 769 HA PRO 88 HA PRO 88 216.677 -2.097 -3.780 770 1HB PRO 88 HB2 PRO 88 216.025 -2.427 -6.611 771 2HB PRO 88 HB1 PRO 88 217.321 -3.172 -5.671 772 1HG PRO 88 HG2 PRO 88 215.211 -4.584 -6.597 773 2HG PRO 88 HG1 PRO 88 216.028 -4.981 -5.075 774 1HD PRO 88 HD2 PRO 88 213.468 -3.489 -5.515 775 2HD PRO 88 HD1 PRO 88 213.854 -4.738 -4.311 776 H THR 89 HN THR 89 217.100 0.020 -3.948 777 HA THR 89 HA THR 89 215.160 1.956 -4.390 778 HB THR 89 HB THR 89 217.174 3.499 -4.776 779 HG1 THR 89 HG1 THR 89 218.515 1.649 -5.451 780 1HG2 THR 89 HG21 THR 89 216.132 3.177 -2.564 781 2HG2 THR 89 HG22 THR 89 217.871 3.465 -2.484 782 3HG2 THR 89 HG23 THR 89 217.237 1.833 -2.273 783 H SER 90 HN SER 90 217.029 0.158 -6.665 784 HA SER 90 HA SER 90 216.627 2.001 -8.849 785 1HB SER 90 HB2 SER 90 218.544 0.209 -8.447 786 2HB SER 90 HB1 SER 90 217.422 -0.838 -9.314 787 HG SER 90 HG SER 90 218.568 0.073 -10.905 788 H ALA 91 HN ALA 91 215.090 -0.876 -7.579 789 HA ALA 91 HA ALA 91 213.552 -1.586 -9.812 790 1HB ALA 91 HB1 ALA 91 212.103 -2.767 -8.238 791 2HB ALA 91 HB2 ALA 91 212.876 -1.927 -6.892 792 3HB ALA 91 HB3 ALA 91 213.809 -3.052 -7.882 793 H THR 92 HN THR 92 211.356 -1.193 -10.304 794 HA THR 92 HA THR 92 210.466 1.477 -9.488 795 HB THR 92 HB THR 92 209.200 1.568 -11.496 796 HG1 THR 92 HG1 THR 92 209.555 -1.217 -11.512 797 1HG2 THR 92 HG21 THR 92 210.839 1.688 -13.014 798 2HG2 THR 92 HG22 THR 92 211.387 0.039 -12.710 799 3HG2 THR 92 HG23 THR 92 211.879 1.344 -11.631 800 H MET 93 HN MET 93 208.414 1.874 -8.709 801 HA MET 93 HA MET 93 207.270 0.142 -6.938 802 1HB MET 93 HB2 MET 93 205.977 2.349 -8.537 803 2HB MET 93 HB1 MET 93 205.153 1.504 -7.235 804 1HG MET 93 HG2 MET 93 207.592 3.245 -7.046 805 2HG MET 93 HG1 MET 93 205.996 3.541 -6.367 806 1HE MET 93 HE1 MET 93 205.859 0.541 -3.762 807 2HE MET 93 HE2 MET 93 205.947 0.012 -5.443 808 3HE MET 93 HE3 MET 93 204.931 1.384 -5.002 809 H GLY 94 HN GLY 94 206.536 0.460 -10.386 810 1HA GLY 94 HA2 GLY 94 204.311 -1.252 -10.471 811 2HA GLY 94 HA1 GLY 94 205.393 -0.925 -11.819 812 H GLN 95 HN GLN 95 207.777 -1.941 -10.756 813 HA GLN 95 HA GLN 95 207.536 -4.671 -11.369 814 1HB GLN 95 HB2 GLN 95 209.720 -3.052 -10.085 815 2HB GLN 95 HB1 GLN 95 209.871 -4.789 -10.309 816 1HG GLN 95 HG2 GLN 95 209.078 -3.248 -12.689 817 2HG GLN 95 HG1 GLN 95 210.717 -2.980 -12.093 818 1HE2 GLN 95 HE21 GLN 95 212.233 -4.358 -12.699 819 2HE2 GLN 95 HE22 GLN 95 211.963 -5.907 -13.416 820 H LEU 96 HN LEU 96 207.625 -2.915 -8.328 821 HA LEU 96 HA LEU 96 207.735 -5.200 -6.650 822 1HB LEU 96 HB2 LEU 96 206.589 -2.477 -6.018 823 2HB LEU 96 HB1 LEU 96 207.074 -3.695 -4.854 824 HG LEU 96 HG LEU 96 208.869 -2.087 -6.664 825 1HD1 LEU 96 HD11 LEU 96 208.725 -2.301 -3.660 826 2HD1 LEU 96 HD12 LEU 96 208.057 -0.980 -4.619 827 3HD1 LEU 96 HD13 LEU 96 209.799 -1.256 -4.592 828 1HD2 LEU 96 HD21 LEU 96 209.554 -4.500 -6.464 829 2HD2 LEU 96 HD22 LEU 96 209.731 -4.230 -4.731 830 3HD2 LEU 96 HD23 LEU 96 210.733 -3.330 -5.872 831 H TYR 97 HN TYR 97 205.103 -3.180 -7.873 832 HA TYR 97 HA TYR 97 202.990 -4.478 -6.557 833 1HB TYR 97 HB2 TYR 97 202.661 -2.328 -7.633 834 2HB TYR 97 HB1 TYR 97 203.016 -3.030 -9.210 835 HD1 TYR 97 HD1 TYR 97 201.451 -4.922 -10.019 836 HD2 TYR 97 HD2 TYR 97 200.470 -2.243 -6.867 837 HE1 TYR 97 HE1 TYR 97 199.066 -5.454 -10.318 838 HE2 TYR 97 HE2 TYR 97 198.084 -2.767 -7.153 839 HH TYR 97 HH TYR 97 196.556 -3.745 -8.534 840 H GLN 98 HN GLN 98 204.825 -5.310 -9.401 841 HA GLN 98 HA GLN 98 202.924 -7.319 -10.242 842 1HB GLN 98 HB2 GLN 98 205.685 -6.658 -11.253 843 2HB GLN 98 HB1 GLN 98 204.580 -7.806 -11.997 844 1HG GLN 98 HG2 GLN 98 203.113 -5.455 -11.750 845 2HG GLN 98 HG1 GLN 98 204.717 -4.946 -12.274 846 1HE2 GLN 98 HE21 GLN 98 205.144 -5.034 -14.362 847 2HE2 GLN 98 HE22 GLN 98 204.242 -5.914 -15.544 848 H GLU 99 HN GLU 99 205.793 -7.160 -8.289 849 HA GLU 99 HA GLU 99 205.843 -10.105 -8.178 850 1HB GLU 99 HB2 GLU 99 208.046 -8.085 -7.928 851 2HB GLU 99 HB1 GLU 99 208.236 -9.739 -7.364 852 1HG GLU 99 HG2 GLU 99 207.358 -10.251 -9.821 853 2HG GLU 99 HG1 GLU 99 208.088 -8.673 -10.117 854 H HIS 100 HN HIS 100 204.599 -7.712 -6.403 855 HA HIS 100 HA HIS 100 205.184 -9.146 -3.915 856 1HB HIS 100 HB2 HIS 100 205.285 -6.146 -4.223 857 2HB HIS 100 HB1 HIS 100 205.306 -6.991 -2.681 858 HD1 HIS 100 HD1 HIS 100 207.560 -7.461 -1.786 859 HD2 HIS 100 HD2 HIS 100 207.607 -6.996 -5.915 860 HE1 HIS 100 HE1 HIS 100 209.980 -7.612 -2.452 861 HE2 HIS 100 HE2 HIS 100 209.991 -7.237 -4.944 862 H HIS 101 HN HIS 101 202.878 -7.604 -5.912 863 HA HIS 101 HA HIS 101 200.947 -6.907 -4.000 864 1HB HIS 101 HB2 HIS 101 199.392 -6.747 -5.773 865 2HB HIS 101 HB1 HIS 101 200.943 -6.293 -6.464 866 HD1 HIS 101 HD1 HIS 101 198.096 -8.414 -7.059 867 HD2 HIS 101 HD2 HIS 101 202.157 -8.611 -7.923 868 HE1 HIS 101 HE1 HIS 101 198.312 -10.121 -8.893 869 HE2 HIS 101 HE2 HIS 101 200.787 -10.291 -9.332 870 H GLU 102 HN GLU 102 200.157 -8.217 -2.516 871 HA GLU 102 HA GLU 102 199.923 -11.062 -2.986 872 1HB GLU 102 HB2 GLU 102 199.360 -9.296 -0.602 873 2HB GLU 102 HB1 GLU 102 199.017 -11.023 -0.606 874 1HG GLU 102 HG2 GLU 102 201.545 -11.149 -1.373 875 2HG GLU 102 HG1 GLU 102 201.616 -9.599 -0.536 876 H GLU 103 HN GLU 103 198.372 -10.342 -4.829 877 HA GLU 103 HA GLU 103 196.271 -10.404 -5.703 878 1HB GLU 103 HB2 GLU 103 196.234 -12.324 -3.851 879 2HB GLU 103 HB1 GLU 103 195.063 -11.243 -3.110 880 1HG GLU 103 HG2 GLU 103 193.475 -11.749 -4.596 881 2HG GLU 103 HG1 GLU 103 194.597 -11.696 -5.954 882 H ASP 104 HN ASP 104 193.821 -9.681 -4.959 883 HA ASP 104 HA ASP 104 192.460 -7.954 -4.287 884 1HB ASP 104 HB2 ASP 104 193.682 -8.250 -2.090 885 2HB ASP 104 HB1 ASP 104 194.761 -6.957 -2.609 886 H PHE 105 HN PHE 105 195.017 -7.714 -6.235 887 HA PHE 105 HA PHE 105 195.822 -6.154 -7.687 888 1HB PHE 105 HB2 PHE 105 193.133 -4.907 -7.091 889 2HB PHE 105 HB1 PHE 105 194.204 -4.378 -8.383 890 HD1 PHE 105 HD1 PHE 105 191.352 -6.149 -7.817 891 HD2 PHE 105 HD2 PHE 105 195.104 -6.575 -9.787 892 HE1 PHE 105 HE1 PHE 105 190.370 -7.829 -9.320 893 HE2 PHE 105 HE2 PHE 105 194.125 -8.256 -11.293 894 HZ PHE 105 HZ PHE 105 191.756 -8.885 -11.062 895 H PHE 106 HN PHE 106 196.013 -5.735 -4.622 896 HA PHE 106 HA PHE 106 196.762 -2.900 -4.687 897 1HB PHE 106 HB2 PHE 106 195.332 -4.517 -2.733 898 2HB PHE 106 HB1 PHE 106 196.693 -3.658 -2.018 899 HD1 PHE 106 HD1 PHE 106 194.610 -2.543 -4.848 900 HD2 PHE 106 HD2 PHE 106 195.581 -2.042 -0.737 901 HE1 PHE 106 HE1 PHE 106 193.263 -0.468 -4.780 902 HE2 PHE 106 HE2 PHE 106 194.238 0.019 -0.660 903 HZ PHE 106 HZ PHE 106 193.079 0.808 -2.683 904 H LEU 107 HN LEU 107 198.657 -2.244 -3.753 905 HA LEU 107 HA LEU 107 200.676 -4.341 -3.300 906 1HB LEU 107 HB2 LEU 107 201.173 -3.177 -5.345 907 2HB LEU 107 HB1 LEU 107 200.902 -1.617 -4.598 908 HG LEU 107 HG LEU 107 203.287 -2.019 -5.009 909 1HD1 LEU 107 HD11 LEU 107 202.272 -0.864 -2.893 910 2HD1 LEU 107 HD12 LEU 107 204.003 -1.083 -3.103 911 3HD1 LEU 107 HD13 LEU 107 203.093 -2.189 -2.074 912 1HD2 LEU 107 HD21 LEU 107 202.649 -4.578 -3.739 913 2HD2 LEU 107 HD22 LEU 107 204.118 -3.820 -3.123 914 3HD2 LEU 107 HD23 LEU 107 203.955 -4.154 -4.846 915 H TYR 108 HN TYR 108 200.788 -4.454 -1.085 916 HA TYR 108 HA TYR 108 200.747 -1.920 0.387 917 1HB TYR 108 HB2 TYR 108 199.777 -2.999 2.157 918 2HB TYR 108 HB1 TYR 108 199.238 -4.050 0.857 919 HD1 TYR 108 HD1 TYR 108 201.653 -5.695 0.372 920 HD2 TYR 108 HD2 TYR 108 199.903 -4.308 3.974 921 HE1 TYR 108 HE1 TYR 108 202.628 -7.615 1.564 922 HE2 TYR 108 HE2 TYR 108 200.873 -6.222 5.198 923 HH TYR 108 HH TYR 108 203.235 -8.284 3.791 924 H ILE 109 HN ILE 109 202.364 -1.164 1.536 925 HA ILE 109 HA ILE 109 204.859 -2.731 1.693 926 HB ILE 109 HB ILE 109 204.536 0.154 0.881 927 1HG1 ILE 109 HG12 ILE 109 204.893 -2.384 -0.628 928 2HG1 ILE 109 HG11 ILE 109 203.928 -0.966 -1.001 929 1HG2 ILE 109 HG21 ILE 109 207.004 -1.513 1.312 930 2HG2 ILE 109 HG22 ILE 109 206.575 0.028 2.059 931 3HG2 ILE 109 HG23 ILE 109 207.009 -0.033 0.352 932 1HD1 ILE 109 HD11 ILE 109 205.779 -1.325 -2.578 933 2HD1 ILE 109 HD12 ILE 109 206.921 -1.105 -1.247 934 3HD1 ILE 109 HD13 ILE 109 205.877 0.228 -1.742 935 H ALA 110 HN ALA 110 206.461 -1.750 3.198 936 HA ALA 110 HA ALA 110 205.273 -0.204 5.404 937 1HB ALA 110 HB1 ALA 110 205.231 -2.402 6.266 938 2HB ALA 110 HB2 ALA 110 206.661 -1.641 6.962 939 3HB ALA 110 HB3 ALA 110 206.830 -2.769 5.617 940 H TYR 111 HN TYR 111 206.906 0.828 6.759 941 HA TYR 111 HA TYR 111 209.545 1.144 5.533 942 1HB TYR 111 HB2 TYR 111 209.386 3.538 5.401 943 2HB TYR 111 HB1 TYR 111 208.005 2.863 4.544 944 HD1 TYR 111 HD1 TYR 111 205.785 3.289 5.275 945 HD2 TYR 111 HD2 TYR 111 209.074 4.522 7.632 946 HE1 TYR 111 HE1 TYR 111 204.256 4.596 6.688 947 HE2 TYR 111 HE2 TYR 111 207.574 5.827 9.073 948 HH TYR 111 HH TYR 111 205.012 6.948 8.525 949 H SER 112 HN SER 112 211.110 1.289 7.052 950 HA SER 112 HA SER 112 210.327 2.026 9.805 951 1HB SER 112 HB2 SER 112 210.681 -0.465 9.445 952 2HB SER 112 HB1 SER 112 212.379 -0.087 9.154 953 HG SER 112 HG SER 112 212.647 0.396 11.213 954 H ASP 113 HN ASP 113 212.215 2.585 11.176 955 HA ASP 113 HA ASP 113 213.894 4.469 9.768 956 1HB ASP 113 HB2 ASP 113 212.807 5.047 11.924 957 2HB ASP 113 HB1 ASP 113 213.776 3.810 12.720 958 H GLU 114 HN GLU 114 214.119 1.247 10.263 959 HA GLU 114 HA GLU 114 217.064 1.315 10.273 960 1HB GLU 114 HB2 GLU 114 215.264 -0.650 11.698 961 2HB GLU 114 HB1 GLU 114 216.992 -0.888 11.470 962 1HG GLU 114 HG2 GLU 114 216.680 1.671 12.589 963 2HG GLU 114 HG1 GLU 114 215.618 0.591 13.491 964 H SER 115 HN SER 115 217.879 -0.964 9.538 965 HA SER 115 HA SER 115 216.771 -1.359 6.902 966 1HB SER 115 HB2 SER 115 218.685 -2.875 6.551 967 2HB SER 115 HB1 SER 115 219.199 -1.309 7.183 968 HG SER 115 HG SER 115 219.370 -2.258 9.235 969 H VAL 116 HN VAL 116 215.742 -2.501 9.737 970 HA VAL 116 HA VAL 116 215.051 -5.139 8.648 971 HB VAL 116 HB VAL 116 214.354 -5.013 11.406 972 1HG1 VAL 116 HG11 VAL 116 214.815 -7.084 10.411 973 2HG1 VAL 116 HG12 VAL 116 216.150 -6.817 11.532 974 3HG1 VAL 116 HG13 VAL 116 216.382 -6.546 9.805 975 1HG2 VAL 116 HG21 VAL 116 215.982 -3.208 11.656 976 2HG2 VAL 116 HG22 VAL 116 217.225 -4.214 10.913 977 3HG2 VAL 116 HG23 VAL 116 216.533 -4.674 12.467 978 H TYR 117 HN TYR 117 212.883 -5.736 8.699 979 HA TYR 117 HA TYR 117 210.985 -3.770 8.243 980 1HB TYR 117 HB2 TYR 117 210.458 -5.958 7.493 981 2HB TYR 117 HB1 TYR 117 210.674 -6.646 9.103 982 HD1 TYR 117 HD1 TYR 117 208.686 -7.335 10.069 983 HD2 TYR 117 HD2 TYR 117 208.696 -3.843 7.650 984 HE1 TYR 117 HE1 TYR 117 206.311 -6.999 10.558 985 HE2 TYR 117 HE2 TYR 117 206.317 -3.501 8.113 986 HH TYR 117 HH TYR 117 204.381 -4.738 8.835 987 H GLY 118 HN GLY 118 211.403 -2.240 9.979 988 1HA GLY 118 HA2 GLY 118 210.855 -1.222 11.965 989 2HA GLY 118 HA1 GLY 118 209.455 -2.278 11.976 990 H LEU 119 HN LEU 119 209.713 -4.404 12.843 991 HA LEU 119 HA LEU 119 210.070 -5.113 15.144 992 1HB LEU 119 HB2 LEU 119 211.460 -6.336 12.867 993 2HB LEU 119 HB1 LEU 119 212.040 -6.842 14.445 994 HG LEU 119 HG LEU 119 209.507 -7.217 14.970 995 1HD1 LEU 119 HD11 LEU 119 209.501 -7.474 11.963 996 2HD1 LEU 119 HD12 LEU 119 208.733 -6.174 12.871 997 3HD1 LEU 119 HD13 LEU 119 208.166 -7.832 13.060 998 1HD2 LEU 119 HD21 LEU 119 210.425 -9.281 13.080 999 2HD2 LEU 119 HD22 LEU 119 209.951 -9.417 14.773 1000 3HD2 LEU 119 HD23 LEU 119 211.570 -8.857 14.354 Start of MODEL 15 1 1H GLY 1 HT1 GLY 1 204.694 -13.103 4.997 2 2H GLY 1 HT2 GLY 1 206.216 -13.086 4.259 3 3H GLY 1 HT3 GLY 1 205.886 -12.030 5.538 4 1HA GLY 1 HA1 GLY 1 205.749 -14.961 5.884 5 2HA GLY 1 HA2 GLY 1 207.268 -14.093 6.047 6 H SER 2 HN SER 2 206.635 -11.839 7.360 7 HA SER 2 HA SER 2 205.011 -12.503 9.680 8 1HB SER 2 HB2 SER 2 207.045 -11.713 11.134 9 2HB SER 2 HB1 SER 2 206.961 -13.388 10.585 10 HG SER 2 HG SER 2 209.022 -12.389 10.227 11 H MET 3 HN MET 3 203.918 -10.716 8.407 12 HA MET 3 HA MET 3 205.011 -8.101 9.203 13 1HB MET 3 HB2 MET 3 203.270 -8.863 6.860 14 2HB MET 3 HB1 MET 3 203.493 -7.198 7.374 15 1HG MET 3 HG2 MET 3 206.047 -7.878 7.162 16 2HG MET 3 HG1 MET 3 205.371 -9.032 6.013 17 1HE MET 3 HE1 MET 3 206.763 -5.094 5.577 18 2HE MET 3 HE2 MET 3 206.183 -5.745 7.109 19 3HE MET 3 HE3 MET 3 205.188 -4.597 6.209 20 H LYS 4 HN LYS 4 203.550 -6.504 9.980 21 HA LYS 4 HA LYS 4 200.973 -7.560 10.946 22 1HB LYS 4 HB2 LYS 4 203.107 -6.056 12.416 23 2HB LYS 4 HB1 LYS 4 201.426 -5.859 12.893 24 1HG LYS 4 HG2 LYS 4 202.137 -7.545 14.288 25 2HG LYS 4 HG1 LYS 4 201.401 -8.449 12.962 26 1HD LYS 4 HD2 LYS 4 203.453 -9.112 12.107 27 2HD LYS 4 HD1 LYS 4 204.320 -7.795 12.899 28 1HE LYS 4 HE2 LYS 4 202.955 -9.725 14.671 29 2HE LYS 4 HE1 LYS 4 204.349 -10.335 13.779 30 1HZ LYS 4 HZ1 LYS 4 205.345 -8.060 14.679 31 2HZ LYS 4 HZ2 LYS 4 205.427 -9.501 15.560 32 3HZ LYS 4 HZ3 LYS 4 204.230 -8.361 15.916 33 H PHE 5 HN PHE 5 199.521 -6.559 9.678 34 HA PHE 5 HA PHE 5 199.755 -3.636 9.367 35 1HB PHE 5 HB2 PHE 5 198.812 -5.747 7.443 36 2HB PHE 5 HB1 PHE 5 198.337 -4.064 7.255 37 HD1 PHE 5 HD1 PHE 5 201.521 -5.817 8.100 38 HD2 PHE 5 HD2 PHE 5 199.528 -3.016 5.604 39 HE1 PHE 5 HE1 PHE 5 203.631 -5.350 6.944 40 HE2 PHE 5 HE2 PHE 5 201.636 -2.548 4.434 41 HZ PHE 5 HZ PHE 5 203.697 -3.718 5.103 42 H VAL 6 HN VAL 6 197.760 -2.439 9.229 43 HA VAL 6 HA VAL 6 195.519 -3.778 10.595 44 HB VAL 6 HB VAL 6 195.179 -1.066 11.100 45 1HG1 VAL 6 HG11 VAL 6 196.323 -3.254 12.824 46 2HG1 VAL 6 HG12 VAL 6 194.629 -2.794 12.658 47 3HG1 VAL 6 HG13 VAL 6 195.768 -1.693 13.432 48 1HG2 VAL 6 HG21 VAL 6 197.317 -0.404 12.183 49 2HG2 VAL 6 HG22 VAL 6 197.414 -0.509 10.425 50 3HG2 VAL 6 HG23 VAL 6 198.086 -1.798 11.423 51 H TYR 7 HN TYR 7 195.774 -0.548 9.096 52 HA TYR 7 HA TYR 7 193.276 -0.360 8.054 53 1HB TYR 7 HB2 TYR 7 195.163 1.350 7.907 54 2HB TYR 7 HB1 TYR 7 195.675 0.515 6.444 55 HD1 TYR 7 HD1 TYR 7 192.630 2.078 7.942 56 HD2 TYR 7 HD2 TYR 7 194.855 1.237 4.412 57 HE1 TYR 7 HE1 TYR 7 191.038 3.416 6.628 58 HE2 TYR 7 HE2 TYR 7 193.269 2.573 3.089 59 HH TYR 7 HH TYR 7 190.947 3.353 3.234 60 H LYS 8 HN LYS 8 196.046 -1.616 6.186 61 HA LYS 8 HA LYS 8 194.552 -2.535 4.002 62 1HB LYS 8 HB2 LYS 8 196.560 -3.222 3.191 63 2HB LYS 8 HB1 LYS 8 197.204 -2.350 4.571 64 1HG LYS 8 HG2 LYS 8 198.315 -4.330 4.775 65 2HG LYS 8 HG1 LYS 8 196.904 -4.664 5.778 66 1HD LYS 8 HD2 LYS 8 195.855 -5.888 4.007 67 2HD LYS 8 HD1 LYS 8 197.098 -5.389 2.858 68 1HE LYS 8 HE2 LYS 8 198.130 -7.304 3.345 69 2HE LYS 8 HE1 LYS 8 198.538 -6.570 4.895 70 1HZ LYS 8 HZ1 LYS 8 197.509 -8.441 5.616 71 2HZ LYS 8 HZ2 LYS 8 196.505 -8.570 4.261 72 3HZ LYS 8 HZ3 LYS 8 196.142 -7.455 5.480 73 H GLU 9 HN GLU 9 195.253 -3.922 7.119 74 HA GLU 9 HA GLU 9 194.410 -6.568 6.555 75 1HB GLU 9 HB2 GLU 9 195.766 -5.459 8.591 76 2HB GLU 9 HB1 GLU 9 194.166 -5.526 9.317 77 1HG GLU 9 HG2 GLU 9 195.625 -7.874 8.127 78 2HG GLU 9 HG1 GLU 9 195.545 -7.489 9.845 79 H GLU 10 HN GLU 10 192.872 -3.942 8.388 80 HA GLU 10 HA GLU 10 190.401 -5.166 8.774 81 1HB GLU 10 HB2 GLU 10 191.159 -2.250 8.592 82 2HB GLU 10 HB1 GLU 10 189.554 -2.800 9.056 83 1HG GLU 10 HG2 GLU 10 190.644 -4.086 10.914 84 2HG GLU 10 HG1 GLU 10 192.145 -3.254 10.507 85 H HIS 11 HN HIS 11 191.245 -2.676 6.345 86 HA HIS 11 HA HIS 11 188.902 -2.587 4.915 87 1HB HIS 11 HB2 HIS 11 191.746 -2.119 4.279 88 2HB HIS 11 HB1 HIS 11 190.707 -2.412 2.889 89 HD1 HIS 11 HD1 HIS 11 189.317 -0.490 2.094 90 HD2 HIS 11 HD2 HIS 11 190.886 0.150 5.888 91 HE1 HIS 11 HE1 HIS 11 188.754 1.894 2.661 92 HE2 HIS 11 HE2 HIS 11 189.637 2.232 4.996 93 HA PRO 12 HA PRO 12 188.414 -7.034 3.985 94 1HB PRO 12 HB2 PRO 12 186.423 -5.889 2.142 95 2HB PRO 12 HB1 PRO 12 186.225 -7.121 3.388 96 1HG PRO 12 HG2 PRO 12 185.470 -4.424 3.569 97 2HG PRO 12 HG1 PRO 12 185.541 -5.591 4.895 98 1HD PRO 12 HD2 PRO 12 187.182 -3.302 4.494 99 2HD PRO 12 HD1 PRO 12 187.320 -4.525 5.765 100 H PHE 13 HN PHE 13 188.300 -8.252 1.902 101 HA PHE 13 HA PHE 13 190.336 -7.334 0.136 102 1HB PHE 13 HB2 PHE 13 189.777 -9.770 0.749 103 2HB PHE 13 HB1 PHE 13 188.485 -9.639 -0.440 104 HD1 PHE 13 HD1 PHE 13 191.919 -10.361 0.086 105 HD2 PHE 13 HD2 PHE 13 189.162 -8.917 -2.818 106 HE1 PHE 13 HE1 PHE 13 193.513 -10.922 -1.699 107 HE2 PHE 13 HE2 PHE 13 190.754 -9.478 -4.609 108 HZ PHE 13 HZ PHE 13 192.932 -10.481 -4.050 109 H GLU 14 HN GLU 14 186.827 -7.632 -0.041 110 HA GLU 14 HA GLU 14 186.477 -6.975 -2.733 111 1HB GLU 14 HB2 GLU 14 184.820 -7.433 -0.526 112 2HB GLU 14 HB1 GLU 14 184.418 -5.806 -1.057 113 1HG GLU 14 HG2 GLU 14 183.283 -6.570 -2.797 114 2HG GLU 14 HG1 GLU 14 184.625 -7.595 -3.303 115 H LYS 15 HN LYS 15 187.375 -5.058 -0.023 116 HA LYS 15 HA LYS 15 186.754 -2.521 -1.240 117 1HB LYS 15 HB2 LYS 15 188.500 -3.059 1.163 118 2HB LYS 15 HB1 LYS 15 187.693 -1.554 0.742 119 1HG LYS 15 HG2 LYS 15 185.961 -3.909 1.077 120 2HG LYS 15 HG1 LYS 15 186.739 -3.282 2.531 121 1HD LYS 15 HD2 LYS 15 185.894 -1.029 1.936 122 2HD LYS 15 HD1 LYS 15 184.999 -1.768 0.601 123 1HE LYS 15 HE2 LYS 15 183.808 -3.181 2.219 124 2HE LYS 15 HE1 LYS 15 184.682 -2.395 3.532 125 1HZ LYS 15 HZ1 LYS 15 183.653 -0.282 2.289 126 2HZ LYS 15 HZ2 LYS 15 182.869 -1.087 3.553 127 3HZ LYS 15 HZ3 LYS 15 182.451 -1.424 1.951 128 H ARG 16 HN ARG 16 189.771 -4.129 -0.231 129 HA ARG 16 HA ARG 16 191.509 -2.354 -1.527 130 1HB ARG 16 HB2 ARG 16 191.859 -5.267 -0.807 131 2HB ARG 16 HB1 ARG 16 193.164 -4.231 -1.371 132 1HG ARG 16 HG2 ARG 16 192.998 -2.852 0.566 133 2HG ARG 16 HG1 ARG 16 191.517 -3.663 1.081 134 1HD ARG 16 HD2 ARG 16 192.942 -4.828 2.385 135 2HD ARG 16 HD1 ARG 16 193.165 -5.778 0.918 136 HE ARG 16 HE ARG 16 195.057 -3.947 2.124 137 1HH1 ARG 16 HH11 ARG 16 194.187 -5.791 -0.713 138 2HH1 ARG 16 HH12 ARG 16 195.792 -5.782 -1.360 139 1HH2 ARG 16 HH21 ARG 16 197.165 -3.937 1.269 140 2HH2 ARG 16 HH22 ARG 16 197.482 -4.730 -0.237 141 H ARG 17 HN ARG 17 189.731 -5.146 -2.648 142 HA ARG 17 HA ARG 17 191.075 -5.382 -5.163 143 1HB ARG 17 HB2 ARG 17 189.645 -7.155 -3.925 144 2HB ARG 17 HB1 ARG 17 188.268 -6.327 -4.635 145 1HG ARG 17 HG2 ARG 17 189.290 -6.693 -6.876 146 2HG ARG 17 HG1 ARG 17 190.529 -7.674 -6.091 147 1HD ARG 17 HD2 ARG 17 188.950 -9.288 -5.401 148 2HD ARG 17 HD1 ARG 17 187.592 -8.229 -5.777 149 HE ARG 17 HE ARG 17 189.006 -8.669 -8.138 150 1HH1 ARG 17 HH11 ARG 17 187.110 -10.491 -5.844 151 2HH1 ARG 17 HH12 ARG 17 186.574 -11.648 -7.015 152 1HH2 ARG 17 HH21 ARG 17 188.302 -10.190 -9.680 153 2HH2 ARG 17 HH22 ARG 17 187.252 -11.478 -9.194 154 H SER 18 HN SER 18 187.863 -4.175 -4.205 155 HA SER 18 HA SER 18 187.012 -3.182 -6.616 156 1HB SER 18 HB2 SER 18 186.474 -2.266 -3.803 157 2HB SER 18 HB1 SER 18 185.699 -1.525 -5.203 158 HG SER 18 HG SER 18 184.855 -3.570 -5.738 159 H GLU 19 HN GLU 19 188.662 -1.361 -4.046 160 HA GLU 19 HA GLU 19 188.968 1.036 -5.426 161 1HB GLU 19 HB2 GLU 19 189.898 -0.128 -2.983 162 2HB GLU 19 HB1 GLU 19 191.236 0.690 -3.775 163 1HG GLU 19 HG2 GLU 19 190.374 2.727 -3.426 164 2HG GLU 19 HG1 GLU 19 188.717 2.188 -3.694 165 H GLY 20 HN GLY 20 191.280 -1.645 -5.065 166 1HA GLY 20 HA2 GLY 20 193.311 -0.582 -6.662 167 2HA GLY 20 HA1 GLY 20 193.063 -2.294 -6.352 168 H GLU 21 HN GLU 21 191.165 -3.247 -7.651 169 HA GLU 21 HA GLU 21 191.751 -3.381 -10.281 170 1HB GLU 21 HB2 GLU 21 190.278 -4.989 -9.508 171 2HB GLU 21 HB1 GLU 21 189.202 -3.807 -8.776 172 1HG GLU 21 HG2 GLU 21 188.045 -3.491 -10.667 173 2HG GLU 21 HG1 GLU 21 189.468 -3.652 -11.694 174 H LYS 22 HN LYS 22 189.713 -0.952 -8.745 175 HA LYS 22 HA LYS 22 188.836 0.184 -11.238 176 1HB LYS 22 HB2 LYS 22 187.333 0.540 -9.488 177 2HB LYS 22 HB1 LYS 22 188.600 0.975 -8.350 178 1HG LYS 22 HG2 LYS 22 188.256 2.756 -10.682 179 2HG LYS 22 HG1 LYS 22 186.957 2.754 -9.488 180 1HD LYS 22 HD2 LYS 22 189.537 2.836 -8.194 181 2HD LYS 22 HD1 LYS 22 189.380 4.150 -9.364 182 1HE LYS 22 HE2 LYS 22 187.328 3.513 -7.251 183 2HE LYS 22 HE1 LYS 22 188.605 4.715 -7.057 184 1HZ LYS 22 HZ1 LYS 22 187.715 5.950 -8.903 185 2HZ LYS 22 HZ2 LYS 22 186.488 5.689 -7.769 186 3HZ LYS 22 HZ3 LYS 22 186.537 4.769 -9.187 187 H ILE 23 HN ILE 23 191.102 1.093 -8.686 188 HA ILE 23 HA ILE 23 192.110 3.451 -9.745 189 HB ILE 23 HB ILE 23 193.216 1.331 -7.939 190 1HG1 ILE 23 HG12 ILE 23 193.086 4.185 -7.181 191 2HG1 ILE 23 HG11 ILE 23 191.542 3.412 -7.517 192 1HG2 ILE 23 HG21 ILE 23 195.046 2.509 -9.438 193 2HG2 ILE 23 HG22 ILE 23 195.304 2.254 -7.716 194 3HG2 ILE 23 HG23 ILE 23 194.793 3.832 -8.302 195 1HD1 ILE 23 HD11 ILE 23 193.197 1.768 -5.824 196 2HD1 ILE 23 HD12 ILE 23 191.562 2.377 -5.565 197 3HD1 ILE 23 HD13 ILE 23 192.952 3.375 -5.142 198 H ARG 24 HN ARG 24 192.665 0.142 -10.656 199 HA ARG 24 HA ARG 24 194.956 0.738 -12.316 200 1HB ARG 24 HB2 ARG 24 193.286 -1.783 -12.221 201 2HB ARG 24 HB1 ARG 24 194.882 -1.608 -12.938 202 1HG ARG 24 HG2 ARG 24 194.208 -1.402 -10.012 203 2HG ARG 24 HG1 ARG 24 195.028 -2.742 -10.810 204 1HD ARG 24 HD2 ARG 24 196.112 0.058 -10.865 205 2HD ARG 24 HD1 ARG 24 196.470 -1.057 -9.550 206 HE ARG 24 HE ARG 24 197.515 -2.515 -11.193 207 1HH1 ARG 24 HH11 ARG 24 196.932 0.789 -12.189 208 2HH1 ARG 24 HH12 ARG 24 198.151 0.756 -13.416 209 1HH2 ARG 24 HH21 ARG 24 199.111 -2.544 -12.806 210 2HH2 ARG 24 HH22 ARG 24 199.384 -1.129 -13.767 211 H LYS 25 HN LYS 25 191.506 0.542 -12.627 212 HA LYS 25 HA LYS 25 191.379 0.232 -15.457 213 1HB LYS 25 HB2 LYS 25 189.385 1.315 -13.473 214 2HB LYS 25 HB1 LYS 25 189.024 0.925 -15.150 215 1HG LYS 25 HG2 LYS 25 190.203 -1.368 -14.037 216 2HG LYS 25 HG1 LYS 25 189.037 -0.772 -12.855 217 1HD LYS 25 HD2 LYS 25 188.539 -1.502 -15.726 218 2HD LYS 25 HD1 LYS 25 187.883 -2.274 -14.281 219 1HE LYS 25 HE2 LYS 25 186.880 0.067 -13.801 220 2HE LYS 25 HE1 LYS 25 187.177 0.358 -15.514 221 1HZ LYS 25 HZ1 LYS 25 185.634 -1.968 -14.512 222 2HZ LYS 25 HZ2 LYS 25 185.744 -1.410 -16.105 223 3HZ LYS 25 HZ3 LYS 25 184.912 -0.500 -14.946 224 H LYS 26 HN LYS 26 190.859 2.983 -13.285 225 HA LYS 26 HA LYS 26 190.716 4.856 -15.434 226 1HB LYS 26 HB2 LYS 26 189.596 4.882 -13.080 227 2HB LYS 26 HB1 LYS 26 191.088 5.671 -12.599 228 1HG LYS 26 HG2 LYS 26 190.696 7.505 -14.012 229 2HG LYS 26 HG1 LYS 26 189.436 6.644 -14.900 230 1HD LYS 26 HD2 LYS 26 187.898 7.454 -13.516 231 2HD LYS 26 HD1 LYS 26 188.710 6.681 -12.155 232 1HE LYS 26 HE2 LYS 26 189.513 8.621 -11.409 233 2HE LYS 26 HE1 LYS 26 190.069 9.096 -13.015 234 1HZ LYS 26 HZ1 LYS 26 187.458 9.432 -13.305 235 2HZ LYS 26 HZ2 LYS 26 188.484 10.657 -12.747 236 3HZ LYS 26 HZ3 LYS 26 187.586 9.741 -11.646 237 H TYR 27 HN TYR 27 193.097 3.880 -13.054 238 HA TYR 27 HA TYR 27 195.052 5.655 -14.368 239 1HB TYR 27 HB2 TYR 27 195.722 4.592 -11.691 240 2HB TYR 27 HB1 TYR 27 196.016 6.184 -12.376 241 HD1 TYR 27 HD1 TYR 27 193.268 7.077 -13.019 242 HD2 TYR 27 HD2 TYR 27 194.759 4.984 -9.632 243 HE1 TYR 27 HE1 TYR 27 191.441 7.992 -11.655 244 HE2 TYR 27 HE2 TYR 27 192.929 5.882 -8.257 245 HH TYR 27 HH TYR 27 190.711 6.817 -8.528 246 HA PRO 28 HA PRO 28 196.525 1.455 -15.358 247 1HB PRO 28 HB2 PRO 28 197.541 2.590 -17.814 248 2HB PRO 28 HB1 PRO 28 196.225 1.436 -17.597 249 1HG PRO 28 HG2 PRO 28 195.862 4.008 -18.458 250 2HG PRO 28 HG1 PRO 28 194.623 3.067 -17.608 251 1HD PRO 28 HD2 PRO 28 196.479 5.161 -16.541 252 2HD PRO 28 HD1 PRO 28 194.756 4.893 -16.190 253 H ASP 29 HN ASP 29 198.132 4.519 -15.186 254 HA ASP 29 HA ASP 29 200.762 3.219 -15.257 255 1HB ASP 29 HB2 ASP 29 199.925 6.106 -15.507 256 2HB ASP 29 HB1 ASP 29 201.605 5.619 -15.301 257 H ARG 30 HN ARG 30 198.507 3.845 -13.012 258 HA ARG 30 HA ARG 30 200.450 4.651 -10.953 259 1HB ARG 30 HB2 ARG 30 197.571 5.162 -11.356 260 2HB ARG 30 HB1 ARG 30 198.050 4.823 -9.700 261 1HG ARG 30 HG2 ARG 30 199.820 6.727 -10.983 262 2HG ARG 30 HG1 ARG 30 198.139 7.266 -10.974 263 1HD ARG 30 HD2 ARG 30 198.000 7.141 -8.634 264 2HD ARG 30 HD1 ARG 30 199.484 6.194 -8.516 265 HE ARG 30 HE ARG 30 200.694 8.138 -8.580 266 1HH1 ARG 30 HH11 ARG 30 197.422 8.807 -9.591 267 2HH1 ARG 30 HH12 ARG 30 197.641 10.524 -9.596 268 1HH2 ARG 30 HH21 ARG 30 200.985 10.396 -8.586 269 2HH2 ARG 30 HH22 ARG 30 199.665 11.427 -9.026 270 H VAL 31 HN VAL 31 200.261 3.601 -8.843 271 HA VAL 31 HA VAL 31 199.073 0.919 -8.953 272 HB VAL 31 HB VAL 31 201.020 -0.087 -7.904 273 1HG1 VAL 31 HG11 VAL 31 202.010 -0.486 -9.870 274 2HG1 VAL 31 HG12 VAL 31 202.405 1.214 -10.127 275 3HG1 VAL 31 HG13 VAL 31 200.797 0.611 -10.531 276 1HG2 VAL 31 HG21 VAL 31 203.101 1.714 -8.265 277 2HG2 VAL 31 HG22 VAL 31 202.395 1.211 -6.729 278 3HG2 VAL 31 HG23 VAL 31 201.817 2.673 -7.532 279 HA PRO 32 HA PRO 32 197.552 2.460 -5.014 280 1HB PRO 32 HB2 PRO 32 196.153 0.220 -4.343 281 2HB PRO 32 HB1 PRO 32 195.546 1.429 -5.480 282 1HG PRO 32 HG2 PRO 32 196.860 -1.199 -6.033 283 2HG PRO 32 HG1 PRO 32 195.462 -0.458 -6.831 284 1HD PRO 32 HD2 PRO 32 197.947 -0.419 -7.905 285 2HD PRO 32 HD1 PRO 32 196.783 0.895 -8.153 286 H VAL 33 HN VAL 33 198.883 2.506 -3.297 287 HA VAL 33 HA VAL 33 200.163 -0.018 -2.498 288 HB VAL 33 HB VAL 33 201.308 2.770 -2.329 289 1HG1 VAL 33 HG11 VAL 33 201.953 0.414 -0.832 290 2HG1 VAL 33 HG12 VAL 33 202.646 2.028 -0.729 291 3HG1 VAL 33 HG13 VAL 33 203.307 0.855 -1.869 292 1HG2 VAL 33 HG21 VAL 33 202.888 2.035 -3.994 293 2HG2 VAL 33 HG22 VAL 33 201.252 1.762 -4.593 294 3HG2 VAL 33 HG23 VAL 33 202.208 0.403 -3.984 295 H ILE 34 HN ILE 34 200.342 -0.513 -0.345 296 HA ILE 34 HA ILE 34 198.871 1.227 1.519 297 HB ILE 34 HB ILE 34 199.120 -1.770 1.853 298 1HG1 ILE 34 HG12 ILE 34 197.887 -1.347 -0.214 299 2HG1 ILE 34 HG11 ILE 34 196.770 -1.867 1.045 300 1HG2 ILE 34 HG21 ILE 34 196.896 -0.998 3.159 301 2HG2 ILE 34 HG22 ILE 34 197.864 0.467 3.303 302 3HG2 ILE 34 HG23 ILE 34 198.495 -1.065 3.902 303 1HD1 ILE 34 HD11 ILE 34 197.110 1.029 0.880 304 2HD1 ILE 34 HD12 ILE 34 195.642 0.059 0.995 305 3HD1 ILE 34 HD13 ILE 34 196.424 0.293 -0.569 306 H VAL 35 HN VAL 35 200.889 2.274 1.915 307 HA VAL 35 HA VAL 35 203.157 0.931 2.924 308 HB VAL 35 HB VAL 35 202.360 3.805 3.388 309 1HG1 VAL 35 HG11 VAL 35 205.002 3.900 3.327 310 2HG1 VAL 35 HG12 VAL 35 204.829 2.240 3.895 311 3HG1 VAL 35 HG13 VAL 35 204.117 3.567 4.816 312 1HG2 VAL 35 HG21 VAL 35 203.714 4.316 1.423 313 2HG2 VAL 35 HG22 VAL 35 202.380 3.241 1.007 314 3HG2 VAL 35 HG23 VAL 35 204.013 2.596 1.173 315 H GLU 36 HN GLU 36 203.896 0.584 4.977 316 HA GLU 36 HA GLU 36 202.096 1.186 7.224 317 1HB GLU 36 HB2 GLU 36 202.568 -1.375 6.107 318 2HB GLU 36 HB1 GLU 36 203.421 -1.337 7.639 319 1HG GLU 36 HG2 GLU 36 200.490 -0.899 7.151 320 2HG GLU 36 HG1 GLU 36 201.258 -2.204 8.051 321 H LYS 37 HN LYS 37 203.173 1.133 9.324 322 HA LYS 37 HA LYS 37 206.017 1.813 9.064 323 1HB LYS 37 HB2 LYS 37 204.287 3.422 10.138 324 2HB LYS 37 HB1 LYS 37 204.341 2.329 11.515 325 1HG LYS 37 HG2 LYS 37 207.017 2.916 10.819 326 2HG LYS 37 HG1 LYS 37 206.128 4.440 10.830 327 1HD LYS 37 HD2 LYS 37 206.963 4.101 13.031 328 2HD LYS 37 HD1 LYS 37 205.226 3.789 13.080 329 1HE LYS 37 HE2 LYS 37 205.509 1.507 13.297 330 2HE LYS 37 HE1 LYS 37 207.129 1.543 12.604 331 1HZ LYS 37 HZ1 LYS 37 207.125 3.084 14.948 332 2HZ LYS 37 HZ2 LYS 37 207.961 1.647 14.639 333 3HZ LYS 37 HZ3 LYS 37 206.406 1.592 15.302 334 H ALA 38 HN ALA 38 206.816 -0.248 9.022 335 HA ALA 38 HA ALA 38 206.358 -2.534 10.238 336 1HB ALA 38 HB1 ALA 38 208.688 -3.020 10.273 337 2HB ALA 38 HB2 ALA 38 209.101 -1.307 10.354 338 3HB ALA 38 HB3 ALA 38 208.369 -1.974 8.890 339 HA PRO 39 HA PRO 39 206.147 -2.294 14.634 340 1HB PRO 39 HB2 PRO 39 207.218 -4.747 15.243 341 2HB PRO 39 HB1 PRO 39 205.548 -4.497 14.709 342 1HG PRO 39 HG2 PRO 39 207.944 -5.324 13.133 343 2HG PRO 39 HG1 PRO 39 206.292 -5.955 13.062 344 1HD PRO 39 HD2 PRO 39 207.219 -4.258 11.226 345 2HD PRO 39 HD1 PRO 39 205.538 -4.169 11.797 346 H LYS 40 HN LYS 40 207.423 -1.760 16.353 347 HA LYS 40 HA LYS 40 209.261 -1.195 17.552 348 1HB LYS 40 HB2 LYS 40 210.546 -3.309 15.826 349 2HB LYS 40 HB1 LYS 40 211.362 -2.509 17.160 350 1HG LYS 40 HG2 LYS 40 210.610 -4.239 18.361 351 2HG LYS 40 HG1 LYS 40 209.091 -3.342 18.378 352 1HD LYS 40 HD2 LYS 40 209.010 -4.723 15.979 353 2HD LYS 40 HD1 LYS 40 209.753 -5.869 17.096 354 1HE LYS 40 HE2 LYS 40 207.165 -4.397 17.581 355 2HE LYS 40 HE1 LYS 40 207.295 -6.064 17.023 356 1HZ LYS 40 HZ1 LYS 40 208.215 -4.986 19.631 357 2HZ LYS 40 HZ2 LYS 40 208.521 -6.560 19.093 358 3HZ LYS 40 HZ3 LYS 40 206.931 -6.057 19.370 359 H ALA 41 HN ALA 41 208.994 -0.468 14.304 360 HA ALA 41 HA ALA 41 211.431 0.544 13.540 361 1HB ALA 41 HB1 ALA 41 210.322 1.782 11.915 362 2HB ALA 41 HB2 ALA 41 208.901 2.024 12.927 363 3HB ALA 41 HB3 ALA 41 209.221 0.437 12.220 364 H ARG 42 HN ARG 42 212.534 2.385 13.957 365 HA ARG 42 HA ARG 42 211.775 3.865 16.337 366 1HB ARG 42 HB2 ARG 42 214.301 4.288 14.756 367 2HB ARG 42 HB1 ARG 42 214.014 4.612 16.460 368 1HG ARG 42 HG2 ARG 42 214.030 2.294 16.988 369 2HG ARG 42 HG1 ARG 42 214.019 1.845 15.281 370 1HD ARG 42 HD2 ARG 42 216.231 2.823 14.997 371 2HD ARG 42 HD1 ARG 42 216.239 3.331 16.685 372 HE ARG 42 HE ARG 42 215.857 0.503 16.318 373 1HH1 ARG 42 HH11 ARG 42 218.213 3.056 16.644 374 2HH1 ARG 42 HH12 ARG 42 219.462 2.001 17.213 375 1HH2 ARG 42 HH21 ARG 42 217.499 -0.886 17.068 376 2HH2 ARG 42 HH22 ARG 42 219.058 -0.238 17.453 377 H ILE 43 HN ILE 43 210.238 4.243 14.063 378 HA ILE 43 HA ILE 43 210.726 7.084 13.464 379 HB ILE 43 HB ILE 43 209.414 6.442 11.304 380 1HG1 ILE 43 HG12 ILE 43 210.748 3.831 12.021 381 2HG1 ILE 43 HG11 ILE 43 209.010 4.115 11.986 382 1HG2 ILE 43 HG21 ILE 43 211.680 5.816 10.246 383 2HG2 ILE 43 HG22 ILE 43 212.324 6.069 11.870 384 3HG2 ILE 43 HG23 ILE 43 211.513 7.389 11.026 385 1HD1 ILE 43 HD11 ILE 43 209.087 3.358 9.915 386 2HD1 ILE 43 HD12 ILE 43 210.844 3.515 9.832 387 3HD1 ILE 43 HD13 ILE 43 209.819 4.909 9.494 388 H GLY 44 HN GLY 44 208.677 8.056 12.505 389 1HA GLY 44 HA2 GLY 44 206.615 7.798 14.488 390 2HA GLY 44 HA1 GLY 44 206.626 8.912 13.130 391 H ASP 45 HN ASP 45 204.505 7.120 14.252 392 HA ASP 45 HA ASP 45 204.059 5.121 12.228 393 1HB ASP 45 HB2 ASP 45 202.030 4.620 13.419 394 2HB ASP 45 HB1 ASP 45 203.313 4.872 14.597 395 H LEU 46 HN LEU 46 202.926 5.307 10.404 396 HA LEU 46 HA LEU 46 201.971 7.915 9.629 397 1HB LEU 46 HB2 LEU 46 202.959 5.593 8.310 398 2HB LEU 46 HB1 LEU 46 201.365 5.949 7.667 399 HG LEU 46 HG LEU 46 203.199 8.246 7.913 400 1HD1 LEU 46 HD11 LEU 46 204.874 6.927 7.044 401 2HD1 LEU 46 HD12 LEU 46 204.098 7.522 5.576 402 3HD1 LEU 46 HD13 LEU 46 203.748 5.895 6.160 403 1HD2 LEU 46 HD21 LEU 46 202.186 8.746 5.700 404 2HD2 LEU 46 HD22 LEU 46 201.003 8.556 6.993 405 3HD2 LEU 46 HD23 LEU 46 201.257 7.251 5.832 406 H ASP 47 HN ASP 47 199.905 8.482 9.102 407 HA ASP 47 HA ASP 47 197.799 6.768 10.194 408 1HB ASP 47 HB2 ASP 47 196.389 8.800 10.075 409 2HB ASP 47 HB1 ASP 47 197.846 9.058 11.030 410 H LYS 48 HN LYS 48 199.042 8.044 7.234 411 HA LYS 48 HA LYS 48 196.672 7.203 5.734 412 1HB LYS 48 HB2 LYS 48 197.496 9.385 5.131 413 2HB LYS 48 HB1 LYS 48 199.132 8.769 4.940 414 1HG LYS 48 HG2 LYS 48 197.457 7.272 3.220 415 2HG LYS 48 HG1 LYS 48 197.059 8.977 3.005 416 1HD LYS 48 HD2 LYS 48 199.838 8.926 3.109 417 2HD LYS 48 HD1 LYS 48 199.408 7.500 2.162 418 1HE LYS 48 HE2 LYS 48 199.689 9.359 0.669 419 2HE LYS 48 HE1 LYS 48 197.978 8.940 0.736 420 1HZ LYS 48 HZ1 LYS 48 197.961 10.757 2.587 421 2HZ LYS 48 HZ2 LYS 48 197.894 11.199 0.956 422 3HZ LYS 48 HZ3 LYS 48 199.356 11.302 1.798 423 H LYS 49 HN LYS 49 196.739 5.028 5.542 424 HA LYS 49 HA LYS 49 199.204 3.624 5.084 425 1HB LYS 49 HB2 LYS 49 196.371 2.904 5.569 426 2HB LYS 49 HB1 LYS 49 197.312 1.741 4.646 427 1HG LYS 49 HG2 LYS 49 198.755 2.667 6.973 428 2HG LYS 49 HG1 LYS 49 197.191 1.975 7.404 429 1HD LYS 49 HD2 LYS 49 198.275 0.261 5.469 430 2HD LYS 49 HD1 LYS 49 199.607 0.660 6.554 431 1HE LYS 49 HE2 LYS 49 198.487 -0.208 8.424 432 2HE LYS 49 HE1 LYS 49 196.928 -0.193 7.605 433 1HZ LYS 49 HZ1 LYS 49 197.375 -2.358 7.345 434 2HZ LYS 49 HZ2 LYS 49 199.048 -2.165 7.501 435 3HZ LYS 49 HZ3 LYS 49 198.290 -1.826 6.028 436 H LYS 50 HN LYS 50 196.353 4.452 3.150 437 HA LYS 50 HA LYS 50 197.199 3.019 0.840 438 1HB LYS 50 HB2 LYS 50 194.836 3.619 1.322 439 2HB LYS 50 HB1 LYS 50 195.233 5.305 1.017 440 1HG LYS 50 HG2 LYS 50 194.653 4.934 -1.092 441 2HG LYS 50 HG1 LYS 50 196.145 4.002 -1.241 442 1HD LYS 50 HD2 LYS 50 194.322 2.655 -2.034 443 2HD LYS 50 HD1 LYS 50 194.885 1.986 -0.500 444 1HE LYS 50 HE2 LYS 50 192.381 2.143 -0.792 445 2HE LYS 50 HE1 LYS 50 193.036 2.868 0.674 446 1HZ LYS 50 HZ1 LYS 50 192.482 4.436 -1.777 447 2HZ LYS 50 HZ2 LYS 50 192.786 5.019 -0.219 448 3HZ LYS 50 HZ3 LYS 50 191.333 4.218 -0.553 449 H TYR 51 HN TYR 51 198.134 3.724 -1.048 450 HA TYR 51 HA TYR 51 199.007 6.492 -1.275 451 1HB TYR 51 HB2 TYR 51 200.859 4.148 -0.966 452 2HB TYR 51 HB1 TYR 51 201.353 5.564 -1.891 453 HD1 TYR 51 HD1 TYR 51 200.565 4.262 1.424 454 HD2 TYR 51 HD2 TYR 51 201.758 7.686 -0.790 455 HE1 TYR 51 HE1 TYR 51 201.218 5.381 3.519 456 HE2 TYR 51 HE2 TYR 51 202.417 8.816 1.291 457 HH TYR 51 HH TYR 51 201.651 8.553 3.844 458 H LEU 52 HN LEU 52 198.379 7.062 -3.244 459 HA LEU 52 HA LEU 52 198.350 5.047 -5.372 460 1HB LEU 52 HB2 LEU 52 196.439 6.818 -4.686 461 2HB LEU 52 HB1 LEU 52 197.307 7.777 -5.870 462 HG LEU 52 HG LEU 52 196.971 6.004 -7.548 463 1HD1 LEU 52 HD11 LEU 52 196.350 3.948 -6.997 464 2HD1 LEU 52 HD12 LEU 52 194.889 4.551 -6.215 465 3HD1 LEU 52 HD13 LEU 52 196.391 4.426 -5.300 466 1HD2 LEU 52 HD21 LEU 52 195.129 7.835 -6.608 467 2HD2 LEU 52 HD22 LEU 52 194.207 6.335 -6.714 468 3HD2 LEU 52 HD23 LEU 52 195.045 6.958 -8.136 469 H VAL 53 HN VAL 53 200.627 5.048 -5.655 470 HA VAL 53 HA VAL 53 201.750 7.508 -6.800 471 HB VAL 53 HB VAL 53 203.854 5.722 -6.639 472 1HG1 VAL 53 HG11 VAL 53 204.515 7.102 -4.647 473 2HG1 VAL 53 HG12 VAL 53 202.932 7.872 -4.745 474 3HG1 VAL 53 HG13 VAL 53 204.070 8.022 -6.085 475 1HG2 VAL 53 HG21 VAL 53 202.707 4.092 -5.350 476 2HG2 VAL 53 HG22 VAL 53 202.033 5.317 -4.274 477 3HG2 VAL 53 HG23 VAL 53 203.760 4.966 -4.240 478 HA PRO 54 HA PRO 54 201.857 6.100 -10.953 479 1HB PRO 54 HB2 PRO 54 204.771 6.697 -10.956 480 2HB PRO 54 HB1 PRO 54 203.501 7.278 -12.041 481 1HG PRO 54 HG2 PRO 54 204.530 8.875 -10.174 482 2HG PRO 54 HG1 PRO 54 202.798 8.916 -10.558 483 1HD PRO 54 HD2 PRO 54 204.198 7.691 -8.220 484 2HD PRO 54 HD1 PRO 54 202.628 8.519 -8.290 485 H SER 55 HN SER 55 203.646 4.881 -12.439 486 HA SER 55 HA SER 55 204.245 2.395 -10.982 487 1HB SER 55 HB2 SER 55 202.748 1.686 -12.583 488 2HB SER 55 HB1 SER 55 203.221 2.935 -13.734 489 HG SER 55 HG SER 55 203.913 0.503 -13.904 490 H ASP 56 HN ASP 56 205.619 5.028 -12.636 491 HA ASP 56 HA ASP 56 208.092 3.571 -13.204 492 1HB ASP 56 HB2 ASP 56 206.841 5.399 -14.732 493 2HB ASP 56 HB1 ASP 56 207.865 6.476 -13.788 494 H LEU 57 HN LEU 57 206.629 5.315 -10.765 495 HA LEU 57 HA LEU 57 208.672 6.925 -9.781 496 1HB LEU 57 HB2 LEU 57 206.357 7.012 -8.972 497 2HB LEU 57 HB1 LEU 57 206.572 5.442 -8.215 498 HG LEU 57 HG LEU 57 208.592 6.699 -7.039 499 1HD1 LEU 57 HD11 LEU 57 206.612 8.932 -7.383 500 2HD1 LEU 57 HD12 LEU 57 208.076 8.778 -8.354 501 3HD1 LEU 57 HD13 LEU 57 208.195 8.985 -6.606 502 1HD2 LEU 57 HD21 LEU 57 205.734 6.389 -6.369 503 2HD2 LEU 57 HD22 LEU 57 206.662 7.493 -5.353 504 3HD2 LEU 57 HD23 LEU 57 207.169 5.813 -5.524 505 H THR 58 HN THR 58 210.669 6.267 -9.406 506 HA THR 58 HA THR 58 211.389 3.599 -8.801 507 HB THR 58 HB THR 58 213.574 4.982 -8.020 508 HG1 THR 58 HG1 THR 58 212.456 6.664 -9.986 509 1HG2 THR 58 HG21 THR 58 214.342 3.929 -9.799 510 2HG2 THR 58 HG22 THR 58 213.630 5.175 -10.823 511 3HG2 THR 58 HG23 THR 58 212.703 3.728 -10.422 512 H VAL 59 HN VAL 59 212.001 2.625 -6.929 513 HA VAL 59 HA VAL 59 210.645 3.096 -4.610 514 HB VAL 59 HB VAL 59 213.259 1.723 -5.132 515 1HG1 VAL 59 HG11 VAL 59 211.904 2.023 -2.455 516 2HG1 VAL 59 HG12 VAL 59 213.542 2.508 -2.888 517 3HG1 VAL 59 HG13 VAL 59 213.121 0.797 -2.811 518 1HG2 VAL 59 HG21 VAL 59 210.964 0.830 -5.815 519 2HG2 VAL 59 HG22 VAL 59 210.708 0.537 -4.095 520 3HG2 VAL 59 HG23 VAL 59 212.037 -0.259 -4.937 521 H GLY 60 HN GLY 60 213.723 4.491 -5.612 522 1HA GLY 60 HA2 GLY 60 214.451 5.668 -3.157 523 2HA GLY 60 HA1 GLY 60 214.964 6.222 -4.746 524 H GLN 61 HN GLN 61 212.310 6.707 -5.731 525 HA GLN 61 HA GLN 61 211.933 9.364 -4.770 526 1HB GLN 61 HB2 GLN 61 210.261 7.682 -6.633 527 2HB GLN 61 HB1 GLN 61 210.038 9.406 -6.348 528 1HG GLN 61 HG2 GLN 61 212.351 9.779 -7.118 529 2HG GLN 61 HG1 GLN 61 212.443 8.072 -7.541 530 1HE2 GLN 61 HE21 GLN 61 209.825 7.775 -8.518 531 2HE2 GLN 61 HE22 GLN 61 209.700 8.627 -10.017 532 H PHE 62 HN PHE 62 210.023 6.374 -4.591 533 HA PHE 62 HA PHE 62 207.838 7.305 -3.169 534 1HB PHE 62 HB2 PHE 62 208.252 4.968 -4.139 535 2HB PHE 62 HB1 PHE 62 209.091 4.619 -2.631 536 HD1 PHE 62 HD1 PHE 62 207.727 3.094 -1.540 537 HD2 PHE 62 HD2 PHE 62 206.018 6.619 -3.199 538 HE1 PHE 62 HE1 PHE 62 205.575 2.547 -0.478 539 HE2 PHE 62 HE2 PHE 62 203.864 6.080 -2.141 540 HZ PHE 62 HZ PHE 62 203.643 4.044 -0.780 541 H TYR 63 HN TYR 63 210.984 6.232 -1.972 542 HA TYR 63 HA TYR 63 210.525 6.246 0.766 543 1HB TYR 63 HB2 TYR 63 212.902 6.710 -0.970 544 2HB TYR 63 HB1 TYR 63 213.037 7.158 0.724 545 HD1 TYR 63 HD1 TYR 63 213.560 4.624 -1.574 546 HD2 TYR 63 HD2 TYR 63 212.177 5.253 2.394 547 HE1 TYR 63 HE1 TYR 63 214.106 2.290 -1.022 548 HE2 TYR 63 HE2 TYR 63 212.715 2.925 2.961 549 HH TYR 63 HH TYR 63 214.593 0.925 0.924 550 H PHE 64 HN PHE 64 212.168 8.803 -0.991 551 HA PHE 64 HA PHE 64 212.251 10.807 0.790 552 1HB PHE 64 HB2 PHE 64 213.262 11.209 -1.272 553 2HB PHE 64 HB1 PHE 64 211.816 10.772 -2.172 554 HD1 PHE 64 HD1 PHE 64 213.231 13.406 0.030 555 HD2 PHE 64 HD2 PHE 64 210.379 12.398 -2.964 556 HE1 PHE 64 HE1 PHE 64 212.679 15.790 -0.237 557 HE2 PHE 64 HE2 PHE 64 209.820 14.782 -3.237 558 HZ PHE 64 HZ PHE 64 210.972 16.479 -1.874 559 H LEU 65 HN LEU 65 209.359 9.797 -0.961 560 HA LEU 65 HA LEU 65 207.821 12.054 -0.088 561 1HB LEU 65 HB2 LEU 65 206.415 11.406 -1.677 562 2HB LEU 65 HB1 LEU 65 207.574 10.154 -2.080 563 HG LEU 65 HG LEU 65 206.381 8.735 -0.342 564 1HD1 LEU 65 HD11 LEU 65 203.956 10.344 -0.895 565 2HD1 LEU 65 HD12 LEU 65 205.082 10.981 0.304 566 3HD1 LEU 65 HD13 LEU 65 204.375 9.380 0.520 567 1HD2 LEU 65 HD21 LEU 65 204.886 7.893 -1.977 568 2HD2 LEU 65 HD22 LEU 65 206.267 8.546 -2.859 569 3HD2 LEU 65 HD23 LEU 65 204.763 9.462 -2.771 570 H ILE 66 HN ILE 66 208.154 8.672 0.884 571 HA ILE 66 HA ILE 66 206.181 8.849 2.954 572 HB ILE 66 HB ILE 66 208.336 6.809 2.411 573 1HG1 ILE 66 HG12 ILE 66 206.621 6.803 0.720 574 2HG1 ILE 66 HG11 ILE 66 206.371 5.403 1.757 575 1HG2 ILE 66 HG21 ILE 66 208.047 6.367 4.623 576 2HG2 ILE 66 HG22 ILE 66 206.669 5.464 3.992 577 3HG2 ILE 66 HG23 ILE 66 206.432 7.076 4.667 578 1HD1 ILE 66 HD11 ILE 66 204.856 7.996 1.981 579 2HD1 ILE 66 HD12 ILE 66 204.559 6.514 2.888 580 3HD1 ILE 66 HD13 ILE 66 204.283 6.552 1.146 581 H ARG 67 HN ARG 67 209.566 9.526 2.666 582 HA ARG 67 HA ARG 67 210.372 9.367 5.340 583 1HB ARG 67 HB2 ARG 67 211.391 10.470 2.861 584 2HB ARG 67 HB1 ARG 67 211.720 11.562 4.198 585 1HG ARG 67 HG2 ARG 67 213.349 10.265 4.963 586 2HG ARG 67 HG1 ARG 67 212.320 8.832 4.919 587 1HD ARG 67 HD2 ARG 67 212.895 8.362 2.693 588 2HD ARG 67 HD1 ARG 67 213.561 9.975 2.440 589 HE ARG 67 HE ARG 67 214.999 8.627 4.466 590 1HH1 ARG 67 HH11 ARG 67 214.549 8.669 1.006 591 2HH1 ARG 67 HH12 ARG 67 216.131 8.054 0.666 592 1HH2 ARG 67 HH21 ARG 67 217.081 7.817 4.021 593 2HH2 ARG 67 HH22 ARG 67 217.569 7.570 2.377 594 H LYS 68 HN LYS 68 208.861 12.033 3.536 595 HA LYS 68 HA LYS 68 208.910 13.890 5.682 596 1HB LYS 68 HB2 LYS 68 206.936 13.785 3.402 597 2HB LYS 68 HB1 LYS 68 207.376 15.193 4.359 598 1HG LYS 68 HG2 LYS 68 209.067 15.665 3.008 599 2HG LYS 68 HG1 LYS 68 209.705 14.023 3.138 600 1HD LYS 68 HD2 LYS 68 208.192 13.269 1.399 601 2HD LYS 68 HD1 LYS 68 207.461 14.873 1.307 602 1HE LYS 68 HE2 LYS 68 210.366 14.292 0.754 603 2HE LYS 68 HE1 LYS 68 209.121 14.396 -0.490 604 1HZ LYS 68 HZ1 LYS 68 210.604 16.470 0.478 605 2HZ LYS 68 HZ2 LYS 68 209.111 16.669 1.246 606 3HZ LYS 68 HZ3 LYS 68 209.191 16.604 -0.442 607 H ARG 69 HN ARG 69 206.703 11.381 4.642 608 HA ARG 69 HA ARG 69 204.478 12.033 6.203 609 1HB ARG 69 HB2 ARG 69 205.479 9.312 5.365 610 2HB ARG 69 HB1 ARG 69 203.867 9.653 5.977 611 1HG ARG 69 HG2 ARG 69 204.922 11.124 3.619 612 2HG ARG 69 HG1 ARG 69 204.271 9.498 3.425 613 1HD ARG 69 HD2 ARG 69 202.897 11.980 3.590 614 2HD ARG 69 HD1 ARG 69 202.241 10.370 3.315 615 HE ARG 69 HE ARG 69 202.741 11.134 6.083 616 1HH1 ARG 69 HH11 ARG 69 200.421 10.822 3.489 617 2HH1 ARG 69 HH12 ARG 69 199.055 10.809 4.553 618 1HH2 ARG 69 HH21 ARG 69 200.946 11.119 7.474 619 2HH2 ARG 69 HH22 ARG 69 199.352 10.978 6.811 620 H ILE 70 HN ILE 70 207.563 10.817 7.033 621 HA ILE 70 HA ILE 70 206.674 10.178 9.764 622 HB ILE 70 HB ILE 70 209.203 9.059 9.502 623 1HG1 ILE 70 HG12 ILE 70 207.662 8.076 7.130 624 2HG1 ILE 70 HG11 ILE 70 208.709 9.478 6.964 625 1HG2 ILE 70 HG21 ILE 70 208.142 7.194 10.189 626 2HG2 ILE 70 HG22 ILE 70 206.904 7.305 8.941 627 3HG2 ILE 70 HG23 ILE 70 206.787 8.300 10.391 628 1HD1 ILE 70 HD11 ILE 70 209.986 7.230 8.296 629 2HD1 ILE 70 HD12 ILE 70 210.552 8.249 6.972 630 3HD1 ILE 70 HD13 ILE 70 209.473 6.894 6.643 631 H HIS 71 HN HIS 71 208.087 12.551 8.063 632 HA HIS 71 HA HIS 71 209.235 14.401 8.637 633 1HB HIS 71 HB2 HIS 71 209.316 13.196 11.407 634 2HB HIS 71 HB1 HIS 71 209.841 14.823 10.994 635 HD1 HIS 71 HD1 HIS 71 206.632 12.968 10.107 636 HD2 HIS 71 HD2 HIS 71 207.926 16.463 11.945 637 HE1 HIS 71 HE1 HIS 71 204.541 14.235 10.688 638 HE2 HIS 71 HE2 HIS 71 205.344 16.300 11.886 639 H LEU 72 HN LEU 72 210.512 12.640 7.284 640 HA LEU 72 HA LEU 72 213.237 12.649 8.402 641 1HB LEU 72 HB2 LEU 72 212.027 10.557 6.608 642 2HB LEU 72 HB1 LEU 72 213.672 10.559 7.218 643 HG LEU 72 HG LEU 72 211.130 10.145 8.788 644 1HD1 LEU 72 HD11 LEU 72 211.697 7.958 8.926 645 2HD1 LEU 72 HD12 LEU 72 213.429 8.290 8.888 646 3HD1 LEU 72 HD13 LEU 72 212.492 8.326 7.396 647 1HD2 LEU 72 HD21 LEU 72 213.193 11.531 9.815 648 2HD2 LEU 72 HD22 LEU 72 213.740 9.888 10.142 649 3HD2 LEU 72 HD23 LEU 72 212.186 10.440 10.763 650 H ARG 73 HN ARG 73 214.852 13.346 7.052 651 HA ARG 73 HA ARG 73 214.033 14.155 4.339 652 1HB ARG 73 HB2 ARG 73 215.740 16.072 4.748 653 2HB ARG 73 HB1 ARG 73 214.113 16.207 5.402 654 1HG ARG 73 HG2 ARG 73 216.269 15.034 7.090 655 2HG ARG 73 HG1 ARG 73 216.195 16.783 6.867 656 1HD ARG 73 HD2 ARG 73 213.687 16.485 7.490 657 2HD ARG 73 HD1 ARG 73 214.225 14.951 8.175 658 HE ARG 73 HE ARG 73 215.047 16.127 9.937 659 1HH1 ARG 73 HH11 ARG 73 214.916 18.270 7.185 660 2HH1 ARG 73 HH12 ARG 73 215.468 19.649 8.075 661 1HH2 ARG 73 HH21 ARG 73 215.772 17.939 11.109 662 2HH2 ARG 73 HH22 ARG 73 215.954 19.461 10.302 663 H ALA 74 HN ALA 74 215.046 12.038 3.807 664 HA ALA 74 HA ALA 74 216.734 10.848 2.849 665 1HB ALA 74 HB1 ALA 74 218.687 12.121 1.987 666 2HB ALA 74 HB2 ALA 74 218.056 13.554 2.797 667 3HB ALA 74 HB3 ALA 74 217.130 12.794 1.503 668 H GLU 75 HN GLU 75 218.559 13.211 4.799 669 HA GLU 75 HA GLU 75 220.568 11.562 5.658 670 1HB GLU 75 HB2 GLU 75 219.220 13.839 7.108 671 2HB GLU 75 HB1 GLU 75 220.682 13.060 7.694 672 1HG GLU 75 HG2 GLU 75 221.254 13.679 5.056 673 2HG GLU 75 HG1 GLU 75 220.347 15.071 5.646 674 H ASP 76 HN ASP 76 217.283 11.741 6.821 675 HA ASP 76 HA ASP 76 217.711 10.166 9.173 676 1HB ASP 76 HB2 ASP 76 215.402 11.351 7.763 677 2HB ASP 76 HB1 ASP 76 215.059 9.882 8.672 678 H ALA 77 HN ALA 77 216.902 8.020 9.520 679 HA ALA 77 HA ALA 77 217.455 6.309 7.253 680 1HB ALA 77 HB1 ALA 77 217.381 4.477 8.875 681 2HB ALA 77 HB2 ALA 77 216.896 5.618 10.131 682 3HB ALA 77 HB3 ALA 77 218.483 5.760 9.376 683 H LEU 78 HN LEU 78 216.075 4.974 6.269 684 HA LEU 78 HA LEU 78 213.463 4.352 7.211 685 1HB LEU 78 HB2 LEU 78 212.972 6.616 6.549 686 2HB LEU 78 HB1 LEU 78 213.739 6.373 4.991 687 HG LEU 78 HG LEU 78 211.973 4.700 4.438 688 1HD1 LEU 78 HD11 LEU 78 211.116 3.895 6.410 689 2HD1 LEU 78 HD12 LEU 78 209.866 5.045 5.931 690 3HD1 LEU 78 HD13 LEU 78 211.049 5.491 7.160 691 1HD2 LEU 78 HD21 LEU 78 210.244 6.323 3.969 692 2HD2 LEU 78 HD22 LEU 78 211.830 7.051 3.706 693 3HD2 LEU 78 HD23 LEU 78 210.917 7.430 5.167 694 H PHE 79 HN PHE 79 213.394 2.295 6.584 695 HA PHE 79 HA PHE 79 214.248 1.637 3.840 696 1HB PHE 79 HB2 PHE 79 214.223 -0.205 6.243 697 2HB PHE 79 HB1 PHE 79 214.792 -0.607 4.629 698 HD1 PHE 79 HD1 PHE 79 217.011 -0.270 4.039 699 HD2 PHE 79 HD2 PHE 79 215.453 1.631 7.514 700 HE1 PHE 79 HE1 PHE 79 219.283 0.441 4.665 701 HE2 PHE 79 HE2 PHE 79 217.721 2.348 8.144 702 HZ PHE 79 HZ PHE 79 219.639 1.753 6.718 703 H PHE 80 HN PHE 80 212.796 0.669 2.534 704 HA PHE 80 HA PHE 80 210.099 0.338 3.535 705 1HB PHE 80 HB2 PHE 80 211.332 0.313 0.795 706 2HB PHE 80 HB1 PHE 80 209.688 -0.264 1.047 707 HD1 PHE 80 HD1 PHE 80 209.074 1.819 3.282 708 HD2 PHE 80 HD2 PHE 80 210.713 2.110 -0.637 709 HE1 PHE 80 HE1 PHE 80 208.256 4.130 3.117 710 HE2 PHE 80 HE2 PHE 80 209.891 4.419 -0.809 711 HZ PHE 80 HZ PHE 80 208.660 5.432 1.066 712 H PHE 81 HN PHE 81 208.940 -1.555 3.564 713 HA PHE 81 HA PHE 81 210.386 -4.016 2.922 714 1HB PHE 81 HB2 PHE 81 208.900 -3.495 5.502 715 2HB PHE 81 HB1 PHE 81 209.571 -5.049 5.016 716 HD1 PHE 81 HD1 PHE 81 210.347 -1.662 6.161 717 HD2 PHE 81 HD2 PHE 81 211.939 -5.460 5.089 718 HE1 PHE 81 HE1 PHE 81 212.508 -1.032 7.153 719 HE2 PHE 81 HE2 PHE 81 214.103 -4.838 6.082 720 HZ PHE 81 HZ PHE 81 214.395 -2.619 7.105 721 H VAL 82 HN VAL 82 209.237 -5.084 1.482 722 HA VAL 82 HA VAL 82 206.304 -5.083 1.747 723 HB VAL 82 HB VAL 82 207.179 -3.779 -0.254 724 1HG1 VAL 82 HG11 VAL 82 208.343 -4.735 -1.943 725 2HG1 VAL 82 HG12 VAL 82 207.614 -6.323 -1.698 726 3HG1 VAL 82 HG13 VAL 82 208.908 -5.772 -0.633 727 1HG2 VAL 82 HG21 VAL 82 205.583 -6.005 -1.364 728 2HG2 VAL 82 HG22 VAL 82 205.288 -4.265 -1.399 729 3HG2 VAL 82 HG23 VAL 82 204.927 -5.192 0.058 730 H ASN 83 HN ASN 83 205.570 -7.038 2.237 731 HA ASN 83 HA ASN 83 205.348 -9.308 2.333 732 1HB ASN 83 HB2 ASN 83 207.449 -9.539 0.173 733 2HB ASN 83 HB1 ASN 83 206.174 -10.687 0.572 734 1HD2 ASN 83 HD21 ASN 83 206.505 -9.905 -1.994 735 2HD2 ASN 83 HD22 ASN 83 205.198 -8.887 -2.484 736 H ASN 84 HN ASN 84 207.451 -7.643 3.669 737 HA ASN 84 HA ASN 84 208.843 -8.086 5.427 738 1HB ASN 84 HB2 ASN 84 207.845 -10.520 5.185 739 2HB ASN 84 HB1 ASN 84 209.440 -10.871 4.524 740 1HD2 ASN 84 HD21 ASN 84 207.772 -9.521 7.317 741 2HD2 ASN 84 HD22 ASN 84 208.989 -9.934 8.471 742 H VAL 85 HN VAL 85 209.529 -7.892 2.257 743 HA VAL 85 HA VAL 85 212.423 -8.138 2.701 744 HB VAL 85 HB VAL 85 211.525 -9.676 1.035 745 1HG1 VAL 85 HG11 VAL 85 211.079 -8.271 -1.243 746 2HG1 VAL 85 HG12 VAL 85 210.329 -7.234 -0.029 747 3HG1 VAL 85 HG13 VAL 85 209.817 -8.913 -0.192 748 1HG2 VAL 85 HG21 VAL 85 213.232 -7.639 -0.346 749 2HG2 VAL 85 HG22 VAL 85 213.244 -9.392 -0.546 750 3HG2 VAL 85 HG23 VAL 85 213.848 -8.669 0.946 751 H ILE 86 HN ILE 86 213.771 -6.689 1.502 752 HA ILE 86 HA ILE 86 212.665 -3.983 1.467 753 HB ILE 86 HB ILE 86 215.534 -4.900 1.354 754 1HG1 ILE 86 HG12 ILE 86 213.662 -4.219 3.573 755 2HG1 ILE 86 HG11 ILE 86 214.915 -5.453 3.502 756 1HG2 ILE 86 HG21 ILE 86 216.211 -2.721 1.313 757 2HG2 ILE 86 HG22 ILE 86 214.765 -2.140 2.138 758 3HG2 ILE 86 HG23 ILE 86 214.698 -2.550 0.425 759 1HD1 ILE 86 HD11 ILE 86 215.479 -3.719 5.088 760 2HD1 ILE 86 HD12 ILE 86 215.354 -2.500 3.823 761 3HD1 ILE 86 HD13 ILE 86 216.617 -3.728 3.744 762 HA PRO 87 HA PRO 87 212.749 -4.277 -3.026 763 1HB PRO 87 HB2 PRO 87 211.560 -1.921 -3.546 764 2HB PRO 87 HB1 PRO 87 210.650 -3.310 -2.938 765 1HG PRO 87 HG2 PRO 87 211.685 -0.926 -1.452 766 2HG PRO 87 HG1 PRO 87 210.112 -1.734 -1.316 767 1HD PRO 87 HD2 PRO 87 212.181 -2.147 0.423 768 2HD PRO 87 HD1 PRO 87 210.932 -3.359 0.079 769 HA PRO 88 HA PRO 88 216.424 -1.977 -3.952 770 1HB PRO 88 HB2 PRO 88 215.708 -2.112 -6.788 771 2HB PRO 88 HB1 PRO 88 217.035 -2.902 -5.933 772 1HG PRO 88 HG2 PRO 88 214.926 -4.283 -6.895 773 2HG PRO 88 HG1 PRO 88 215.769 -4.757 -5.409 774 1HD PRO 88 HD2 PRO 88 213.191 -3.263 -5.726 775 2HD PRO 88 HD1 PRO 88 213.602 -4.580 -4.605 776 H THR 89 HN THR 89 216.868 0.137 -3.999 777 HA THR 89 HA THR 89 214.912 2.104 -4.285 778 HB THR 89 HB THR 89 216.970 3.652 -4.556 779 HG1 THR 89 HG1 THR 89 218.297 1.796 -5.243 780 1HG2 THR 89 HG21 THR 89 215.743 2.847 -2.366 781 2HG2 THR 89 HG22 THR 89 217.235 3.785 -2.308 782 3HG2 THR 89 HG23 THR 89 217.284 2.035 -2.094 783 H SER 90 HN SER 90 216.859 0.513 -6.660 784 HA SER 90 HA SER 90 216.519 2.512 -8.698 785 1HB SER 90 HB2 SER 90 218.474 1.212 -8.935 786 2HB SER 90 HB1 SER 90 217.602 -0.299 -8.684 787 HG SER 90 HG SER 90 217.367 1.425 -10.927 788 H ALA 91 HN ALA 91 214.906 -0.455 -7.738 789 HA ALA 91 HA ALA 91 213.364 -0.907 -10.024 790 1HB ALA 91 HB1 ALA 91 213.558 -2.526 -8.203 791 2HB ALA 91 HB2 ALA 91 211.869 -2.180 -8.575 792 3HB ALA 91 HB3 ALA 91 212.624 -1.461 -7.152 793 H THR 92 HN THR 92 211.070 -0.520 -10.354 794 HA THR 92 HA THR 92 210.299 2.148 -9.398 795 HB THR 92 HB THR 92 208.978 2.385 -11.377 796 HG1 THR 92 HG1 THR 92 208.376 0.749 -12.603 797 1HG2 THR 92 HG21 THR 92 210.569 1.985 -13.213 798 2HG2 THR 92 HG22 THR 92 211.591 1.082 -12.095 799 3HG2 THR 92 HG23 THR 92 211.297 2.801 -11.829 800 H MET 93 HN MET 93 208.175 2.564 -8.729 801 HA MET 93 HA MET 93 207.004 0.788 -6.990 802 1HB MET 93 HB2 MET 93 205.945 3.156 -8.478 803 2HB MET 93 HB1 MET 93 204.865 2.193 -7.481 804 1HG MET 93 HG2 MET 93 207.358 2.965 -6.168 805 2HG MET 93 HG1 MET 93 206.318 4.311 -6.626 806 1HE MET 93 HE1 MET 93 205.655 1.031 -3.594 807 2HE MET 93 HE2 MET 93 206.620 0.964 -5.068 808 3HE MET 93 HE3 MET 93 204.893 0.609 -5.127 809 H GLY 94 HN GLY 94 206.104 1.366 -10.378 810 1HA GLY 94 HA2 GLY 94 203.956 -0.430 -10.493 811 2HA GLY 94 HA1 GLY 94 204.924 0.077 -11.868 812 H GLN 95 HN GLN 95 207.421 -0.958 -10.913 813 HA GLN 95 HA GLN 95 207.260 -3.587 -11.896 814 1HB GLN 95 HB2 GLN 95 209.420 -2.143 -10.363 815 2HB GLN 95 HB1 GLN 95 209.612 -3.785 -10.958 816 1HG GLN 95 HG2 GLN 95 208.682 -2.020 -13.042 817 2HG GLN 95 HG1 GLN 95 210.178 -1.434 -12.316 818 1HE2 GLN 95 HE21 GLN 95 211.191 -1.863 -14.338 819 2HE2 GLN 95 HE22 GLN 95 211.671 -3.470 -14.755 820 H LEU 96 HN LEU 96 207.422 -2.270 -8.631 821 HA LEU 96 HA LEU 96 207.569 -4.773 -7.306 822 1HB LEU 96 HB2 LEU 96 206.413 -2.181 -6.264 823 2HB LEU 96 HB1 LEU 96 206.920 -3.553 -5.296 824 HG LEU 96 HG LEU 96 208.671 -1.664 -6.858 825 1HD1 LEU 96 HD11 LEU 96 208.116 -0.738 -4.766 826 2HD1 LEU 96 HD12 LEU 96 209.715 -1.450 -4.556 827 3HD1 LEU 96 HD13 LEU 96 208.289 -2.288 -3.942 828 1HD2 LEU 96 HD21 LEU 96 210.566 -3.005 -6.251 829 2HD2 LEU 96 HD22 LEU 96 209.417 -4.025 -7.116 830 3HD2 LEU 96 HD23 LEU 96 209.543 -4.130 -5.360 831 H TYR 97 HN TYR 97 204.898 -2.622 -8.172 832 HA TYR 97 HA TYR 97 202.823 -4.104 -7.017 833 1HB TYR 97 HB2 TYR 97 202.461 -1.836 -7.803 834 2HB TYR 97 HB1 TYR 97 202.778 -2.336 -9.462 835 HD1 TYR 97 HD1 TYR 97 200.301 -1.936 -6.928 836 HD2 TYR 97 HD2 TYR 97 201.199 -4.067 -10.501 837 HE1 TYR 97 HE1 TYR 97 197.910 -2.442 -7.219 838 HE2 TYR 97 HE2 TYR 97 198.809 -4.574 -10.804 839 HH TYR 97 HH TYR 97 196.356 -3.050 -8.966 840 H GLN 98 HN GLN 98 204.583 -4.530 -9.993 841 HA GLN 98 HA GLN 98 202.685 -6.418 -11.053 842 1HB GLN 98 HB2 GLN 98 205.471 -5.702 -11.955 843 2HB GLN 98 HB1 GLN 98 204.348 -6.723 -12.841 844 1HG GLN 98 HG2 GLN 98 202.976 -4.338 -12.282 845 2HG GLN 98 HG1 GLN 98 204.587 -3.877 -12.832 846 1HE2 GLN 98 HE21 GLN 98 204.870 -3.721 -14.932 847 2HE2 GLN 98 HE22 GLN 98 203.890 -4.456 -16.149 848 H GLU 99 HN GLU 99 205.528 -6.526 -9.058 849 HA GLU 99 HA GLU 99 205.493 -9.469 -9.229 850 1HB GLU 99 HB2 GLU 99 207.793 -7.566 -8.936 851 2HB GLU 99 HB1 GLU 99 207.941 -9.282 -8.576 852 1HG GLU 99 HG2 GLU 99 206.784 -9.279 -11.059 853 2HG GLU 99 HG1 GLU 99 207.876 -7.896 -11.133 854 H HIS 100 HN HIS 100 204.322 -7.328 -7.204 855 HA HIS 100 HA HIS 100 205.037 -8.946 -4.890 856 1HB HIS 100 HB2 HIS 100 205.476 -5.969 -5.003 857 2HB HIS 100 HB1 HIS 100 205.396 -6.875 -3.497 858 HD1 HIS 100 HD1 HIS 100 207.495 -8.004 -2.736 859 HD2 HIS 100 HD2 HIS 100 207.716 -6.738 -6.687 860 HE1 HIS 100 HE1 HIS 100 209.885 -8.368 -3.424 861 HE2 HIS 100 HE2 HIS 100 210.019 -7.495 -5.784 862 H HIS 101 HN HIS 101 202.751 -6.994 -6.528 863 HA HIS 101 HA HIS 101 201.040 -6.310 -4.429 864 1HB HIS 101 HB2 HIS 101 199.375 -5.888 -6.050 865 2HB HIS 101 HB1 HIS 101 200.898 -5.558 -6.864 866 HD1 HIS 101 HD1 HIS 101 201.794 -7.846 -8.258 867 HD2 HIS 101 HD2 HIS 101 197.724 -7.410 -7.544 868 HE1 HIS 101 HE1 HIS 101 200.655 -9.344 -9.925 869 HE2 HIS 101 HE2 HIS 101 198.191 -8.996 -9.531 870 H GLU 102 HN GLU 102 200.483 -7.755 -2.920 871 HA GLU 102 HA GLU 102 200.027 -10.511 -3.464 872 1HB GLU 102 HB2 GLU 102 199.440 -8.799 -1.045 873 2HB GLU 102 HB1 GLU 102 199.159 -10.534 -1.092 874 1HG GLU 102 HG2 GLU 102 201.770 -10.256 -1.959 875 2HG GLU 102 HG1 GLU 102 201.612 -9.059 -0.676 876 H GLU 103 HN GLU 103 198.475 -9.828 -5.288 877 HA GLU 103 HA GLU 103 196.374 -9.736 -6.159 878 1HB GLU 103 HB2 GLU 103 196.451 -11.847 -4.471 879 2HB GLU 103 HB1 GLU 103 195.135 -10.932 -3.751 880 1HG GLU 103 HG2 GLU 103 193.773 -11.823 -5.244 881 2HG GLU 103 HG1 GLU 103 194.630 -10.932 -6.500 882 H ASP 104 HN ASP 104 193.883 -9.307 -5.284 883 HA ASP 104 HA ASP 104 192.416 -7.769 -4.438 884 1HB ASP 104 HB2 ASP 104 194.313 -8.063 -2.408 885 2HB ASP 104 HB1 ASP 104 194.186 -6.322 -2.640 886 H PHE 105 HN PHE 105 194.835 -7.184 -6.401 887 HA PHE 105 HA PHE 105 195.503 -5.477 -7.738 888 1HB PHE 105 HB2 PHE 105 192.858 -4.293 -6.877 889 2HB PHE 105 HB1 PHE 105 193.820 -3.748 -8.248 890 HD1 PHE 105 HD1 PHE 105 193.492 -4.686 -10.341 891 HD2 PHE 105 HD2 PHE 105 192.098 -6.747 -6.890 892 HE1 PHE 105 HE1 PHE 105 192.376 -6.336 -11.783 893 HE2 PHE 105 HE2 PHE 105 190.977 -8.401 -8.325 894 HZ PHE 105 HZ PHE 105 191.115 -8.197 -10.776 895 H PHE 106 HN PHE 106 195.990 -5.349 -4.721 896 HA PHE 106 HA PHE 106 196.662 -2.491 -4.604 897 1HB PHE 106 HB2 PHE 106 195.392 -4.265 -2.650 898 2HB PHE 106 HB1 PHE 106 196.740 -3.345 -1.989 899 HD1 PHE 106 HD1 PHE 106 195.514 -1.914 -0.561 900 HD2 PHE 106 HD2 PHE 106 194.524 -2.192 -4.691 901 HE1 PHE 106 HE1 PHE 106 194.061 0.061 -0.338 902 HE2 PHE 106 HE2 PHE 106 193.068 -0.207 -4.474 903 HZ PHE 106 HZ PHE 106 192.838 0.916 -2.299 904 H LEU 107 HN LEU 107 198.573 -1.948 -3.365 905 HA LEU 107 HA LEU 107 200.616 -4.069 -3.352 906 1HB LEU 107 HB2 LEU 107 200.822 -2.505 -5.278 907 2HB LEU 107 HB1 LEU 107 201.035 -1.187 -4.144 908 HG LEU 107 HG LEU 107 203.177 -1.826 -5.043 909 1HD1 LEU 107 HD11 LEU 107 203.035 -2.921 -2.246 910 2HD1 LEU 107 HD12 LEU 107 203.032 -1.200 -2.642 911 3HD1 LEU 107 HD13 LEU 107 204.422 -2.202 -3.061 912 1HD2 LEU 107 HD21 LEU 107 202.167 -4.350 -5.207 913 2HD2 LEU 107 HD22 LEU 107 203.259 -4.500 -3.831 914 3HD2 LEU 107 HD23 LEU 107 203.872 -3.936 -5.385 915 H TYR 108 HN TYR 108 200.254 -4.327 -1.106 916 HA TYR 108 HA TYR 108 200.503 -2.081 0.659 917 1HB TYR 108 HB2 TYR 108 199.654 -3.444 2.242 918 2HB TYR 108 HB1 TYR 108 199.243 -4.448 0.863 919 HD1 TYR 108 HD1 TYR 108 200.109 -4.762 3.970 920 HD2 TYR 108 HD2 TYR 108 201.738 -5.782 0.198 921 HE1 TYR 108 HE1 TYR 108 201.353 -6.619 5.027 922 HE2 TYR 108 HE2 TYR 108 202.987 -7.643 1.218 923 HH TYR 108 HH TYR 108 202.361 -9.037 3.879 924 H ILE 109 HN ILE 109 202.154 -1.439 1.886 925 HA ILE 109 HA ILE 109 204.731 -2.837 1.673 926 HB ILE 109 HB ILE 109 204.233 0.079 1.096 927 1HG1 ILE 109 HG12 ILE 109 204.798 -2.319 -0.602 928 2HG1 ILE 109 HG11 ILE 109 203.590 -1.058 -0.813 929 1HG2 ILE 109 HG21 ILE 109 206.680 0.095 0.487 930 2HG2 ILE 109 HG22 ILE 109 206.810 -1.470 1.287 931 3HG2 ILE 109 HG23 ILE 109 206.330 -0.044 2.208 932 1HD1 ILE 109 HD11 ILE 109 205.000 -0.412 -2.440 933 2HD1 ILE 109 HD12 ILE 109 206.402 -1.154 -1.666 934 3HD1 ILE 109 HD13 ILE 109 205.806 0.406 -1.101 935 H ALA 110 HN ALA 110 206.378 -1.896 3.169 936 HA ALA 110 HA ALA 110 205.252 -0.578 5.547 937 1HB ALA 110 HB1 ALA 110 205.292 -2.699 6.417 938 2HB ALA 110 HB2 ALA 110 206.919 -2.150 6.817 939 3HB ALA 110 HB3 ALA 110 206.660 -3.196 5.424 940 H TYR 111 HN TYR 111 206.925 0.366 6.932 941 HA TYR 111 HA TYR 111 209.510 0.800 5.654 942 1HB TYR 111 HB2 TYR 111 209.351 3.165 5.557 943 2HB TYR 111 HB1 TYR 111 207.882 2.551 4.814 944 HD1 TYR 111 HD1 TYR 111 209.259 4.062 7.873 945 HD2 TYR 111 HD2 TYR 111 205.755 3.091 5.701 946 HE1 TYR 111 HE1 TYR 111 207.932 5.408 9.446 947 HE2 TYR 111 HE2 TYR 111 204.402 4.436 7.247 948 HH TYR 111 HH TYR 111 204.714 6.306 8.823 949 H SER 112 HN SER 112 211.088 0.758 7.111 950 HA SER 112 HA SER 112 210.486 1.447 9.921 951 1HB SER 112 HB2 SER 112 210.805 -0.717 10.423 952 2HB SER 112 HB1 SER 112 211.398 -1.086 8.806 953 HG SER 112 HG SER 112 212.818 -0.289 11.094 954 H ASP 113 HN ASP 113 212.536 1.817 11.192 955 HA ASP 113 HA ASP 113 214.242 3.601 9.658 956 1HB ASP 113 HB2 ASP 113 213.247 4.301 11.838 957 2HB ASP 113 HB1 ASP 113 214.231 3.076 12.636 958 H GLU 114 HN GLU 114 214.312 0.432 10.012 959 HA GLU 114 HA GLU 114 217.252 0.314 10.090 960 1HB GLU 114 HB2 GLU 114 215.467 -1.813 11.270 961 2HB GLU 114 HB1 GLU 114 217.219 -1.707 11.370 962 1HG GLU 114 HG2 GLU 114 215.613 0.524 12.487 963 2HG GLU 114 HG1 GLU 114 215.667 -0.999 13.373 964 H SER 115 HN SER 115 217.928 -1.992 9.289 965 HA SER 115 HA SER 115 216.829 -2.221 6.634 966 1HB SER 115 HB2 SER 115 218.618 -3.919 6.288 967 2HB SER 115 HB1 SER 115 219.233 -2.375 6.880 968 HG SER 115 HG SER 115 219.940 -3.357 8.591 969 H VAL 116 HN VAL 116 215.692 -3.382 9.423 970 HA VAL 116 HA VAL 116 214.752 -5.884 8.203 971 HB VAL 116 HB VAL 116 214.123 -5.837 10.990 972 1HG1 VAL 116 HG11 VAL 116 216.207 -7.549 9.661 973 2HG1 VAL 116 HG12 VAL 116 214.478 -7.770 9.391 974 3HG1 VAL 116 HG13 VAL 116 215.148 -7.954 11.013 975 1HG2 VAL 116 HG21 VAL 116 216.305 -5.793 12.030 976 2HG2 VAL 116 HG22 VAL 116 216.015 -4.259 11.211 977 3HG2 VAL 116 HG23 VAL 116 217.076 -5.463 10.478 978 H TYR 117 HN TYR 117 212.491 -6.402 8.773 979 HA TYR 117 HA TYR 117 210.800 -4.218 8.243 980 1HB TYR 117 HB2 TYR 117 210.038 -6.399 7.612 981 2HB TYR 117 HB1 TYR 117 210.185 -6.996 9.264 982 HD1 TYR 117 HD1 TYR 117 208.050 -7.544 10.004 983 HD2 TYR 117 HD2 TYR 117 208.634 -3.897 7.898 984 HE1 TYR 117 HE1 TYR 117 205.715 -6.915 10.452 985 HE2 TYR 117 HE2 TYR 117 206.301 -3.264 8.329 986 HH TYR 117 HH TYR 117 204.119 -4.490 8.832 987 H GLY 118 HN GLY 118 211.799 -2.861 10.019 988 1HA GLY 118 HA2 GLY 118 211.458 -1.691 11.961 989 2HA GLY 118 HA1 GLY 118 209.913 -2.521 12.092 990 H LEU 119 HN LEU 119 210.173 -4.906 12.703 991 HA LEU 119 HA LEU 119 210.632 -5.459 15.178 992 1HB LEU 119 HB2 LEU 119 211.478 -7.065 12.799 993 2HB LEU 119 HB1 LEU 119 211.731 -7.690 14.421 994 HG LEU 119 HG LEU 119 209.019 -6.694 14.035 995 1HD1 LEU 119 HD11 LEU 119 208.280 -7.881 12.275 996 2HD1 LEU 119 HD12 LEU 119 209.332 -9.251 12.627 997 3HD1 LEU 119 HD13 LEU 119 209.968 -7.851 11.764 998 1HD2 LEU 119 HD21 LEU 119 208.455 -8.811 15.066 999 2HD2 LEU 119 HD22 LEU 119 209.784 -8.038 15.934 1000 3HD2 LEU 119 HD23 LEU 119 210.109 -9.385 14.843
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