NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
8911 | 1n3g | 5389 | cing | recoord | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HT1 MET 1 187.387 0.298 -7.161 2 2H MET 1 HT2 MET 1 186.881 -0.007 -8.774 3 3H MET 1 HT3 MET 1 187.234 -1.315 -7.719 4 HA MET 1 HA MET 1 185.420 -0.691 -6.311 5 1HB MET 1 HB2 MET 1 183.832 1.026 -7.205 6 2HB MET 1 HB1 MET 1 185.388 1.674 -6.705 7 1HG MET 1 HG2 MET 1 185.897 2.374 -8.762 8 2HG MET 1 HG1 MET 1 185.272 0.913 -9.522 9 1HE MET 1 HE1 MET 1 182.491 0.617 -8.632 10 2HE MET 1 HE2 MET 1 182.607 0.708 -10.389 11 3HE MET 1 HE3 MET 1 181.413 1.682 -9.532 12 H THR 2 HN THR 2 185.030 -2.831 -6.945 13 HA THR 2 HA THR 2 183.938 -3.437 -9.536 14 HB THR 2 HB THR 2 183.698 -5.719 -8.654 15 HG1 THR 2 HG1 THR 2 184.663 -4.656 -6.211 16 1HG2 THR 2 HG21 THR 2 185.824 -5.864 -9.268 17 2HG2 THR 2 HG22 THR 2 186.214 -5.671 -7.559 18 3HG2 THR 2 HG23 THR 2 186.206 -4.267 -8.625 19 H MET 3 HN MET 3 182.660 -2.339 -6.568 20 HA MET 3 HA MET 3 180.550 -1.996 -5.795 21 1HB MET 3 HB2 MET 3 180.378 -0.871 -8.025 22 2HB MET 3 HB1 MET 3 179.723 -2.368 -8.678 23 1HG MET 3 HG2 MET 3 177.778 -1.314 -8.235 24 2HG MET 3 HG1 MET 3 178.032 -2.059 -6.658 25 1HE MET 3 HE1 MET 3 176.388 -0.141 -5.376 26 2HE MET 3 HE2 MET 3 177.557 0.758 -4.409 27 3HE MET 3 HE3 MET 3 177.774 -0.973 -4.670 28 H ASN 4 HN ASN 4 180.678 -4.029 -4.665 29 HA ASN 4 HA ASN 4 179.139 -6.214 -5.877 30 1HB ASN 4 HB2 ASN 4 181.346 -6.077 -3.930 31 2HB ASN 4 HB1 ASN 4 180.083 -7.233 -3.523 32 1HD2 ASN 4 HD21 ASN 4 181.510 -6.190 -6.597 33 2HD2 ASN 4 HD22 ASN 4 181.961 -7.775 -7.120 34 H ILE 5 HN ILE 5 177.031 -6.029 -5.471 35 HA ILE 5 HA ILE 5 176.194 -5.223 -2.764 36 HB ILE 5 HB ILE 5 174.046 -5.217 -4.721 37 1HG1 ILE 5 HG12 ILE 5 176.417 -3.408 -5.243 38 2HG1 ILE 5 HG11 ILE 5 175.798 -4.654 -6.322 39 1HG2 ILE 5 HG21 ILE 5 173.389 -3.345 -3.593 40 2HG2 ILE 5 HG22 ILE 5 175.038 -2.768 -3.359 41 3HG2 ILE 5 HG23 ILE 5 174.417 -4.088 -2.367 42 1HD1 ILE 5 HD11 ILE 5 173.675 -2.877 -5.690 43 2HD1 ILE 5 HD12 ILE 5 174.442 -3.183 -7.249 44 3HD1 ILE 5 HD13 ILE 5 175.081 -1.932 -6.182 45 H THR 6 HN THR 6 175.819 -7.006 -1.602 46 HA THR 6 HA THR 6 174.080 -9.066 -2.784 47 HB THR 6 HB THR 6 175.356 -10.759 -1.439 48 HG1 THR 6 HG1 THR 6 177.049 -8.529 -1.048 49 1HG2 THR 6 HG21 THR 6 177.592 -10.272 -2.896 50 2HG2 THR 6 HG22 THR 6 176.374 -9.376 -3.804 51 3HG2 THR 6 HG23 THR 6 176.152 -11.097 -3.495 52 H SER 7 HN SER 7 172.206 -8.610 -1.764 53 HA SER 7 HA SER 7 172.194 -8.052 1.094 54 1HB SER 7 HB2 SER 7 170.009 -8.047 -0.996 55 2HB SER 7 HB1 SER 7 169.717 -7.743 0.718 56 HG SER 7 HG SER 7 170.182 -5.758 0.210 57 H LYS 8 HN LYS 8 170.697 -9.235 2.522 58 HA LYS 8 HA LYS 8 171.053 -12.055 2.216 59 1HB LYS 8 HB2 LYS 8 169.681 -10.371 4.302 60 2HB LYS 8 HB1 LYS 8 169.693 -12.127 4.373 61 1HG LYS 8 HG2 LYS 8 172.102 -12.147 4.502 62 2HG LYS 8 HG1 LYS 8 172.153 -10.394 4.302 63 1HD LYS 8 HD2 LYS 8 172.432 -10.973 6.640 64 2HD LYS 8 HD1 LYS 8 170.895 -10.139 6.403 65 1HE LYS 8 HE2 LYS 8 170.561 -12.981 6.090 66 2HE LYS 8 HE1 LYS 8 171.326 -12.618 7.636 67 1HZ LYS 8 HZ1 LYS 8 169.527 -11.326 8.306 68 2HZ LYS 8 HZ2 LYS 8 168.800 -12.653 7.551 69 3HZ LYS 8 HZ3 LYS 8 168.910 -11.174 6.737 70 H GLN 9 HN GLN 9 167.964 -10.782 3.341 71 HA GLN 9 HA GLN 9 166.639 -12.506 1.375 72 1HB GLN 9 HB2 GLN 9 164.692 -12.415 2.831 73 2HB GLN 9 HB1 GLN 9 166.110 -12.910 3.744 74 1HG GLN 9 HG2 GLN 9 165.505 -10.022 3.726 75 2HG GLN 9 HG1 GLN 9 164.373 -11.062 4.591 76 1HE2 GLN 9 HE21 GLN 9 166.532 -9.044 5.355 77 2HE2 GLN 9 HE22 GLN 9 167.430 -9.856 6.587 78 H MET 10 HN MET 10 166.981 -9.196 2.377 79 HA MET 10 HA MET 10 164.781 -8.287 0.713 80 1HB MET 10 HB2 MET 10 165.160 -7.157 2.836 81 2HB MET 10 HB1 MET 10 166.809 -6.768 2.366 82 1HG MET 10 HG2 MET 10 165.925 -4.799 1.790 83 2HG MET 10 HG1 MET 10 165.439 -5.651 0.326 84 1HE MET 10 HE1 MET 10 161.768 -6.763 1.484 85 2HE MET 10 HE2 MET 10 163.193 -7.578 2.129 86 3HE MET 10 HE3 MET 10 163.118 -7.158 0.419 87 H GLU 11 HN GLU 11 165.336 -8.714 -1.396 88 HA GLU 11 HA GLU 11 167.830 -8.393 -2.578 89 1HB GLU 11 HB2 GLU 11 166.461 -8.079 -4.727 90 2HB GLU 11 HB1 GLU 11 166.246 -9.578 -3.834 91 1HG GLU 11 HG2 GLU 11 164.155 -8.920 -3.012 92 2HG GLU 11 HG1 GLU 11 164.424 -7.231 -3.442 93 H ILE 12 HN ILE 12 167.964 -6.738 -4.587 94 HA ILE 12 HA ILE 12 167.938 -4.105 -3.324 95 HB ILE 12 HB ILE 12 169.101 -4.468 -6.034 96 1HG1 ILE 12 HG12 ILE 12 169.929 -6.480 -5.021 97 2HG1 ILE 12 HG11 ILE 12 171.236 -5.302 -4.985 98 1HG2 ILE 12 HG21 ILE 12 169.495 -2.776 -3.643 99 2HG2 ILE 12 HG22 ILE 12 169.520 -2.351 -5.354 100 3HG2 ILE 12 HG23 ILE 12 170.923 -3.126 -4.618 101 1HD1 ILE 12 HD11 ILE 12 170.131 -4.844 -2.580 102 2HD1 ILE 12 HD12 ILE 12 171.426 -6.008 -2.862 103 3HD1 ILE 12 HD13 ILE 12 169.751 -6.554 -2.780 104 H THR 13 HN THR 13 166.173 -2.927 -3.625 105 HA THR 13 HA THR 13 164.443 -3.298 -5.893 106 HB THR 13 HB THR 13 162.990 -1.731 -4.843 107 HG1 THR 13 HG1 THR 13 165.334 -0.843 -3.592 108 1HG2 THR 13 HG21 THR 13 163.181 -2.358 -2.335 109 2HG2 THR 13 HG22 THR 13 164.406 -3.491 -2.903 110 3HG2 THR 13 HG23 THR 13 162.757 -3.591 -3.522 111 HA PRO 14 HA PRO 14 165.962 -0.359 -8.788 112 1HB PRO 14 HB2 PRO 14 163.659 1.142 -9.272 113 2HB PRO 14 HB1 PRO 14 164.107 -0.354 -10.095 114 1HG PRO 14 HG2 PRO 14 162.233 0.068 -7.813 115 2HG PRO 14 HG1 PRO 14 162.104 -1.050 -9.184 116 1HD PRO 14 HD2 PRO 14 162.818 -1.914 -6.756 117 2HD PRO 14 HD1 PRO 14 163.556 -2.589 -8.224 118 H ALA 15 HN ALA 15 163.854 1.031 -6.288 119 HA ALA 15 HA ALA 15 164.871 3.668 -6.509 120 1HB ALA 15 HB1 ALA 15 163.786 2.832 -3.901 121 2HB ALA 15 HB2 ALA 15 162.724 2.596 -5.289 122 3HB ALA 15 HB3 ALA 15 163.358 4.201 -4.925 123 H ILE 16 HN ILE 16 165.555 1.025 -4.225 124 HA ILE 16 HA ILE 16 167.483 2.462 -2.732 125 HB ILE 16 HB ILE 16 167.225 -0.533 -3.023 126 1HG1 ILE 16 HG12 ILE 16 166.119 1.098 -0.755 127 2HG1 ILE 16 HG11 ILE 16 165.187 0.885 -2.233 128 1HG2 ILE 16 HG21 ILE 16 168.832 -0.764 -1.493 129 2HG2 ILE 16 HG22 ILE 16 168.154 0.507 -0.473 130 3HG2 ILE 16 HG23 ILE 16 169.230 0.926 -1.806 131 1HD1 ILE 16 HD11 ILE 16 165.756 -1.004 -0.070 132 2HD1 ILE 16 HD12 ILE 16 165.879 -1.672 -1.698 133 3HD1 ILE 16 HD13 ILE 16 164.380 -0.907 -1.168 134 H ARG 17 HN ARG 17 167.800 0.114 -5.396 135 HA ARG 17 HA ARG 17 170.560 -0.088 -5.448 136 1HB ARG 17 HB2 ARG 17 170.320 -1.162 -7.452 137 2HB ARG 17 HB1 ARG 17 168.658 -1.233 -6.893 138 1HG ARG 17 HG2 ARG 17 168.025 0.574 -8.322 139 2HG ARG 17 HG1 ARG 17 169.705 0.891 -8.753 140 1HD ARG 17 HD2 ARG 17 169.697 -0.682 -10.333 141 2HD ARG 17 HD1 ARG 17 168.943 -1.861 -9.261 142 HE ARG 17 HE ARG 17 167.148 0.148 -10.293 143 1HH1 ARG 17 HH11 ARG 17 168.565 -3.000 -10.817 144 2HH1 ARG 17 HH12 ARG 17 167.281 -3.545 -11.842 145 1HH2 ARG 17 HH21 ARG 17 165.459 -0.568 -11.640 146 2HH2 ARG 17 HH22 ARG 17 165.519 -2.165 -12.311 147 H GLN 18 HN GLN 18 168.497 2.315 -7.049 148 HA GLN 18 HA GLN 18 170.623 3.707 -8.305 149 1HB GLN 18 HB2 GLN 18 167.761 3.963 -8.073 150 2HB GLN 18 HB1 GLN 18 168.524 5.533 -7.849 151 1HG GLN 18 HG2 GLN 18 169.038 3.705 -10.184 152 2HG GLN 18 HG1 GLN 18 167.891 5.044 -10.189 153 1HE2 GLN 18 HE21 GLN 18 168.996 6.090 -11.844 154 2HE2 GLN 18 HE22 GLN 18 170.504 6.891 -11.579 155 H HIS 19 HN HIS 19 169.152 3.881 -5.142 156 HA HIS 19 HA HIS 19 170.147 6.389 -4.341 157 1HB HIS 19 HB2 HIS 19 168.591 4.365 -3.201 158 2HB HIS 19 HB1 HIS 19 170.000 4.485 -2.154 159 HD1 HIS 19 HD1 HIS 19 167.743 7.068 -3.829 160 HD2 HIS 19 HD2 HIS 19 169.445 6.185 -0.143 161 HE1 HIS 19 HE1 HIS 19 166.982 8.897 -2.280 162 HE2 HIS 19 HE2 HIS 19 168.092 8.386 -0.077 163 H VAL 20 HN VAL 20 171.338 3.175 -3.344 164 HA VAL 20 HA VAL 20 173.735 4.078 -2.231 165 HB VAL 20 HB VAL 20 172.783 1.825 -1.845 166 1HG1 VAL 20 HG11 VAL 20 173.921 1.094 -4.535 167 2HG1 VAL 20 HG12 VAL 20 172.210 1.404 -4.245 168 3HG1 VAL 20 HG13 VAL 20 173.014 0.061 -3.432 169 1HG2 VAL 20 HG21 VAL 20 175.426 1.079 -2.834 170 2HG2 VAL 20 HG22 VAL 20 174.793 1.095 -1.188 171 3HG2 VAL 20 HG23 VAL 20 175.420 2.579 -1.906 172 H ALA 21 HN ALA 21 173.022 2.910 -5.496 173 HA ALA 21 HA ALA 21 175.542 2.799 -6.586 174 1HB ALA 21 HB1 ALA 21 173.969 2.065 -8.063 175 2HB ALA 21 HB2 ALA 21 174.247 3.677 -8.721 176 3HB ALA 21 HB3 ALA 21 172.848 3.375 -7.691 177 H ASP 22 HN ASP 22 173.409 5.655 -6.490 178 HA ASP 22 HA ASP 22 175.192 7.440 -7.706 179 1HB ASP 22 HB2 ASP 22 172.701 7.628 -6.161 180 2HB ASP 22 HB1 ASP 22 173.743 9.039 -6.007 181 H ARG 23 HN ARG 23 174.771 6.509 -4.328 182 HA ARG 23 HA ARG 23 176.535 8.431 -3.234 183 1HB ARG 23 HB2 ARG 23 175.679 5.729 -2.181 184 2HB ARG 23 HB1 ARG 23 176.564 6.928 -1.248 185 1HG ARG 23 HG2 ARG 23 173.787 7.205 -2.372 186 2HG ARG 23 HG1 ARG 23 174.239 7.035 -0.674 187 1HD ARG 23 HD2 ARG 23 175.721 9.202 -1.507 188 2HD ARG 23 HD1 ARG 23 174.198 9.401 -2.376 189 HE ARG 23 HE ARG 23 173.868 8.821 0.421 190 1HH1 ARG 23 HH11 ARG 23 174.360 11.346 -1.939 191 2HH1 ARG 23 HH12 ARG 23 173.681 12.584 -0.939 192 1HH2 ARG 23 HH21 ARG 23 172.976 10.450 1.737 193 2HH2 ARG 23 HH22 ARG 23 172.895 12.077 1.149 194 H LEU 24 HN LEU 24 176.994 5.034 -4.170 195 HA LEU 24 HA LEU 24 179.716 4.887 -3.435 196 1HB LEU 24 HB2 LEU 24 177.855 3.087 -4.246 197 2HB LEU 24 HB1 LEU 24 178.821 3.222 -5.702 198 HG LEU 24 HG LEU 24 179.730 1.401 -4.530 199 1HD1 LEU 24 HD11 LEU 24 181.350 3.206 -5.316 200 2HD1 LEU 24 HD12 LEU 24 181.959 2.018 -4.163 201 3HD1 LEU 24 HD13 LEU 24 181.514 3.633 -3.612 202 1HD2 LEU 24 HD21 LEU 24 180.557 2.054 -2.051 203 2HD2 LEU 24 HD22 LEU 24 179.010 1.282 -2.401 204 3HD2 LEU 24 HD23 LEU 24 179.090 3.028 -2.161 205 H ALA 25 HN ALA 25 178.084 5.917 -6.362 206 HA ALA 25 HA ALA 25 180.249 5.914 -8.127 207 1HB ALA 25 HB1 ALA 25 177.636 6.490 -8.375 208 2HB ALA 25 HB2 ALA 25 178.846 6.913 -9.585 209 3HB ALA 25 HB3 ALA 25 178.312 8.118 -8.416 210 H LYS 26 HN LYS 26 178.945 8.676 -6.273 211 HA LYS 26 HA LYS 26 181.059 10.426 -6.940 212 1HB LYS 26 HB2 LYS 26 178.633 10.763 -5.808 213 2HB LYS 26 HB1 LYS 26 179.643 10.853 -4.373 214 1HG LYS 26 HG2 LYS 26 180.008 12.543 -6.838 215 2HG LYS 26 HG1 LYS 26 179.170 13.054 -5.372 216 1HD LYS 26 HD2 LYS 26 181.166 13.822 -4.706 217 2HD LYS 26 HD1 LYS 26 181.562 12.131 -4.397 218 1HE LYS 26 HE2 LYS 26 182.613 11.912 -6.528 219 2HE LYS 26 HE1 LYS 26 182.024 13.493 -7.043 220 1HZ LYS 26 HZ1 LYS 26 183.824 13.185 -4.716 221 2HZ LYS 26 HZ2 LYS 26 183.498 14.579 -5.615 222 3HZ LYS 26 HZ3 LYS 26 184.425 13.336 -6.290 223 H LEU 27 HN LEU 27 180.503 8.290 -4.184 224 HA LEU 27 HA LEU 27 182.701 9.158 -2.642 225 1HB LEU 27 HB2 LEU 27 180.627 7.634 -2.073 226 2HB LEU 27 HB1 LEU 27 181.731 6.341 -2.499 227 HG LEU 27 HG LEU 27 182.737 8.352 -0.568 228 1HD1 LEU 27 HD11 LEU 27 180.339 6.688 -0.107 229 2HD1 LEU 27 HD12 LEU 27 180.829 8.211 0.637 230 3HD1 LEU 27 HD13 LEU 27 181.557 6.696 1.169 231 1HD2 LEU 27 HD21 LEU 27 183.053 5.458 -1.169 232 2HD2 LEU 27 HD22 LEU 27 183.373 6.014 0.473 233 3HD2 LEU 27 HD23 LEU 27 184.277 6.693 -0.880 234 H GLU 28 HN GLU 28 182.588 7.350 -5.512 235 HA GLU 28 HA GLU 28 184.716 5.571 -5.176 236 1HB GLU 28 HB2 GLU 28 183.255 5.350 -7.065 237 2HB GLU 28 HB1 GLU 28 183.666 6.958 -7.641 238 1HG GLU 28 HG2 GLU 28 184.712 5.068 -8.898 239 2HG GLU 28 HG1 GLU 28 185.837 6.278 -8.284 240 H LYS 29 HN LYS 29 184.753 8.995 -5.391 241 HA LYS 29 HA LYS 29 187.616 8.961 -6.070 242 1HB LYS 29 HB2 LYS 29 186.079 10.354 -7.480 243 2HB LYS 29 HB1 LYS 29 185.763 11.344 -6.062 244 1HG LYS 29 HG2 LYS 29 187.617 12.515 -6.376 245 2HG LYS 29 HG1 LYS 29 188.596 11.052 -6.492 246 1HD LYS 29 HD2 LYS 29 186.894 11.838 -8.810 247 2HD LYS 29 HD1 LYS 29 188.399 12.713 -8.521 248 1HE LYS 29 HE2 LYS 29 189.676 10.691 -8.668 249 2HE LYS 29 HE1 LYS 29 188.211 9.713 -8.726 250 1HZ LYS 29 HZ1 LYS 29 188.784 11.750 -10.789 251 2HZ LYS 29 HZ2 LYS 29 187.732 10.427 -10.876 252 3HZ LYS 29 HZ3 LYS 29 189.406 10.179 -10.906 253 H TRP 30 HN TRP 30 186.192 8.532 -3.367 254 HA TRP 30 HA TRP 30 186.987 10.758 -1.760 255 1HB TRP 30 HB2 TRP 30 185.567 8.300 -1.370 256 2HB TRP 30 HB1 TRP 30 186.844 8.408 -0.163 257 HD1 TRP 30 HD1 TRP 30 183.625 10.154 -1.278 258 HE1 TRP 30 HE1 TRP 30 182.821 11.687 0.626 259 HE3 TRP 30 HE3 TRP 30 187.652 9.754 1.843 260 HZ2 TRP 30 HZ2 TRP 30 183.766 12.603 3.121 261 HZ3 TRP 30 HZ3 TRP 30 187.624 10.991 3.970 262 HH2 TRP 30 HH2 TRP 30 185.722 12.389 4.592 263 H GLN 31 HN GLN 31 188.651 10.616 -0.047 264 HA GLN 31 HA GLN 31 191.142 9.802 -1.151 265 1HB GLN 31 HB2 GLN 31 190.222 11.202 1.262 266 2HB GLN 31 HB1 GLN 31 191.710 10.292 1.465 267 1HG GLN 31 HG2 GLN 31 192.528 12.325 0.823 268 2HG GLN 31 HG1 GLN 31 192.419 11.500 -0.730 269 1HE2 GLN 31 HE21 GLN 31 190.146 11.764 -1.750 270 2HE2 GLN 31 HE22 GLN 31 189.540 13.382 -1.774 271 H THR 32 HN THR 32 190.248 7.535 -1.411 272 HA THR 32 HA THR 32 191.357 5.906 0.739 273 HB THR 32 HB THR 32 188.571 5.526 -0.375 274 HG1 THR 32 HG1 THR 32 189.455 5.897 2.290 275 1HG2 THR 32 HG21 THR 32 188.547 3.401 0.243 276 2HG2 THR 32 HG22 THR 32 189.239 3.791 1.817 277 3HG2 THR 32 HG23 THR 32 190.297 3.498 0.437 278 H HIS 33 HN HIS 33 189.349 4.761 -1.908 279 HA HIS 33 HA HIS 33 190.760 4.409 -4.079 280 1HB HIS 33 HB2 HIS 33 192.154 2.891 -1.954 281 2HB HIS 33 HB1 HIS 33 191.905 2.022 -3.464 282 HD1 HIS 33 HD1 HIS 33 192.504 3.972 -5.596 283 HD2 HIS 33 HD2 HIS 33 194.648 3.924 -2.037 284 HE1 HIS 33 HE1 HIS 33 194.692 5.098 -6.112 285 HE2 HIS 33 HE2 HIS 33 195.920 5.163 -3.913 286 H LEU 34 HN LEU 34 188.901 2.858 -1.637 287 HA LEU 34 HA LEU 34 187.558 0.946 -1.691 288 1HB LEU 34 HB2 LEU 34 186.225 2.521 -3.859 289 2HB LEU 34 HB1 LEU 34 185.493 1.618 -2.544 290 HG LEU 34 HG LEU 34 187.171 3.777 -1.557 291 1HD1 LEU 34 HD11 LEU 34 185.275 4.353 -3.729 292 2HD1 LEU 34 HD12 LEU 34 186.698 5.244 -3.182 293 3HD1 LEU 34 HD13 LEU 34 185.173 5.391 -2.306 294 1HD2 LEU 34 HD21 LEU 34 184.400 2.752 -1.171 295 2HD2 LEU 34 HD22 LEU 34 184.845 4.337 -0.537 296 3HD2 LEU 34 HD23 LEU 34 185.722 2.899 -0.013 297 H ILE 35 HN ILE 35 188.577 -0.844 -2.485 298 HA ILE 35 HA ILE 35 188.632 -1.249 -5.384 299 HB ILE 35 HB ILE 35 189.706 -3.258 -3.442 300 1HG1 ILE 35 HG12 ILE 35 191.725 -1.360 -4.342 301 2HG1 ILE 35 HG11 ILE 35 190.512 -0.593 -3.325 302 1HG2 ILE 35 HG21 ILE 35 190.743 -2.358 -6.121 303 2HG2 ILE 35 HG22 ILE 35 189.577 -3.665 -5.905 304 3HG2 ILE 35 HG23 ILE 35 191.196 -3.804 -5.217 305 1HD1 ILE 35 HD11 ILE 35 191.821 -1.277 -1.652 306 2HD1 ILE 35 HD12 ILE 35 192.607 -2.511 -2.639 307 3HD1 ILE 35 HD13 ILE 35 191.036 -2.837 -1.905 308 H ASN 36 HN ASN 36 187.774 -3.152 -2.495 309 HA ASN 36 HA ASN 36 185.764 -4.561 -4.119 310 1HB ASN 36 HB2 ASN 36 187.672 -5.422 -2.056 311 2HB ASN 36 HB1 ASN 36 186.047 -6.071 -1.852 312 1HD2 ASN 36 HD21 ASN 36 188.656 -7.277 -2.660 313 2HD2 ASN 36 HD22 ASN 36 188.313 -8.111 -4.134 314 HA PRO 37 HA PRO 37 183.351 -2.090 -1.021 315 1HB PRO 37 HB2 PRO 37 181.590 -1.003 -2.728 316 2HB PRO 37 HB1 PRO 37 183.205 -0.318 -2.502 317 1HG PRO 37 HG2 PRO 37 182.192 -2.105 -4.681 318 2HG PRO 37 HG1 PRO 37 183.216 -0.663 -4.806 319 1HD PRO 37 HD2 PRO 37 184.193 -3.213 -4.868 320 2HD PRO 37 HD1 PRO 37 185.124 -1.822 -4.277 321 H HIS 38 HN HIS 38 182.415 -3.858 -0.033 322 HA HIS 38 HA HIS 38 180.354 -5.351 -1.474 323 1HB HIS 38 HB2 HIS 38 182.274 -6.063 0.453 324 2HB HIS 38 HB1 HIS 38 180.720 -6.176 1.272 325 HD1 HIS 38 HD1 HIS 38 182.934 -8.252 -0.452 326 HD2 HIS 38 HD2 HIS 38 178.824 -7.682 -0.669 327 HE1 HIS 38 HE1 HIS 38 182.023 -10.337 -1.521 328 HE2 HIS 38 HE2 HIS 38 179.542 -9.940 -1.707 329 H ILE 39 HN ILE 39 178.475 -4.262 -1.504 330 HA ILE 39 HA ILE 39 177.558 -2.930 0.940 331 HB ILE 39 HB ILE 39 176.290 -2.812 -1.793 332 1HG1 ILE 39 HG12 ILE 39 178.612 -1.976 -1.873 333 2HG1 ILE 39 HG11 ILE 39 177.441 -0.681 -2.103 334 1HG2 ILE 39 HG21 ILE 39 175.167 -0.849 -0.949 335 2HG2 ILE 39 HG22 ILE 39 176.036 -0.971 0.581 336 3HG2 ILE 39 HG23 ILE 39 174.864 -2.211 0.129 337 1HD1 ILE 39 HD11 ILE 39 178.893 -1.300 0.458 338 2HD1 ILE 39 HD12 ILE 39 177.741 0.011 0.209 339 3HD1 ILE 39 HD13 ILE 39 179.274 0.007 -0.662 340 H ILE 40 HN ILE 40 176.430 -4.191 2.263 341 HA ILE 40 HA ILE 40 174.520 -6.110 1.098 342 HB ILE 40 HB ILE 40 175.838 -6.172 3.819 343 1HG1 ILE 40 HG12 ILE 40 176.560 -8.478 2.618 344 2HG1 ILE 40 HG11 ILE 40 176.430 -7.438 1.203 345 1HG2 ILE 40 HG21 ILE 40 174.745 -8.625 3.492 346 2HG2 ILE 40 HG22 ILE 40 173.545 -7.620 2.679 347 3HG2 ILE 40 HG23 ILE 40 173.967 -7.302 4.362 348 1HD1 ILE 40 HD11 ILE 40 178.445 -6.646 1.631 349 2HD1 ILE 40 HD12 ILE 40 178.541 -7.634 3.088 350 3HD1 ILE 40 HD13 ILE 40 177.863 -6.007 3.168 351 H LEU 41 HN LEU 41 172.603 -5.098 1.012 352 HA LEU 41 HA LEU 41 171.720 -3.570 3.365 353 1HB LEU 41 HB2 LEU 41 171.546 -2.079 1.636 354 2HB LEU 41 HB1 LEU 41 171.241 -3.323 0.443 355 HG LEU 41 HG LEU 41 169.037 -3.049 2.337 356 1HD1 LEU 41 HD11 LEU 41 168.242 -0.898 1.570 357 2HD1 LEU 41 HD12 LEU 41 169.697 -0.681 0.595 358 3HD1 LEU 41 HD13 LEU 41 169.811 -0.717 2.355 359 1HD2 LEU 41 HD21 LEU 41 169.421 -3.088 -0.636 360 2HD2 LEU 41 HD22 LEU 41 167.852 -2.719 0.080 361 3HD2 LEU 41 HD23 LEU 41 168.621 -4.275 0.395 362 H SER 42 HN SER 42 170.638 -4.887 4.694 363 HA SER 42 HA SER 42 168.649 -6.718 3.524 364 1HB SER 42 HB2 SER 42 170.246 -6.893 6.080 365 2HB SER 42 HB1 SER 42 168.846 -7.915 5.762 366 HG SER 42 HG SER 42 171.214 -8.502 5.090 367 H LYS 43 HN LYS 43 166.736 -7.135 4.931 368 HA LYS 43 HA LYS 43 165.834 -4.626 6.179 369 1HB LYS 43 HB2 LYS 43 164.468 -5.105 4.290 370 2HB LYS 43 HB1 LYS 43 164.335 -6.803 4.724 371 1HG LYS 43 HG2 LYS 43 163.313 -5.123 6.832 372 2HG LYS 43 HG1 LYS 43 162.527 -4.764 5.295 373 1HD LYS 43 HD2 LYS 43 162.431 -7.413 5.163 374 2HD LYS 43 HD1 LYS 43 162.486 -7.248 6.919 375 1HE LYS 43 HE2 LYS 43 160.425 -6.304 7.030 376 2HE LYS 43 HE1 LYS 43 160.600 -5.484 5.478 377 1HZ LYS 43 HZ1 LYS 43 160.169 -8.407 5.753 378 2HZ LYS 43 HZ2 LYS 43 160.117 -7.495 4.331 379 3HZ LYS 43 HZ3 LYS 43 158.919 -7.294 5.507 380 H GLU 44 HN GLU 44 165.749 -4.685 8.332 381 HA GLU 44 HA GLU 44 165.302 -7.281 9.641 382 1HB GLU 44 HB2 GLU 44 167.155 -5.121 10.149 383 2HB GLU 44 HB1 GLU 44 166.187 -5.458 11.575 384 1HG GLU 44 HG2 GLU 44 166.840 -7.961 10.891 385 2HG GLU 44 HG1 GLU 44 168.237 -7.106 10.241 386 HA PRO 45 HA PRO 45 161.323 -6.398 11.275 387 1HB PRO 45 HB2 PRO 45 162.187 -6.706 14.013 388 2HB PRO 45 HB1 PRO 45 161.221 -7.805 13.037 389 1HG PRO 45 HG2 PRO 45 164.083 -7.882 13.650 390 2HG PRO 45 HG1 PRO 45 163.030 -9.173 13.050 391 1HD PRO 45 HD2 PRO 45 164.942 -8.003 11.526 392 2HD PRO 45 HD1 PRO 45 163.433 -8.647 10.847 393 H GLN 46 HN GLN 46 163.847 -5.183 13.469 394 HA GLN 46 HA GLN 46 162.258 -2.779 13.917 395 1HB GLN 46 HB2 GLN 46 163.469 -4.377 15.672 396 2HB GLN 46 HB1 GLN 46 164.798 -3.261 15.374 397 1HG GLN 46 HG2 GLN 46 163.454 -2.612 17.314 398 2HG GLN 46 HG1 GLN 46 163.430 -1.388 16.045 399 1HE2 GLN 46 HE21 GLN 46 161.616 -4.409 16.342 400 2HE2 GLN 46 HE22 GLN 46 160.051 -3.677 16.321 401 H GLY 47 HN GLY 47 163.360 -2.765 11.390 402 1HA GLY 47 HA2 GLY 47 164.220 -0.588 10.556 403 2HA GLY 47 HA1 GLY 47 165.533 -0.783 11.699 404 H PHE 48 HN PHE 48 165.797 -0.300 8.939 405 HA PHE 48 HA PHE 48 166.464 -2.707 7.541 406 1HB PHE 48 HB2 PHE 48 166.350 0.138 6.988 407 2HB PHE 48 HB1 PHE 48 167.829 -0.560 6.344 408 HD1 PHE 48 HD1 PHE 48 164.652 -2.409 6.617 409 HD2 PHE 48 HD2 PHE 48 167.293 -0.264 4.063 410 HE1 PHE 48 HE1 PHE 48 163.404 -3.211 4.653 411 HE2 PHE 48 HE2 PHE 48 166.048 -1.057 2.098 412 HZ PHE 48 HZ PHE 48 164.102 -2.539 2.390 413 H VAL 49 HN VAL 49 168.522 -3.528 7.093 414 HA VAL 49 HA VAL 49 170.642 -2.600 8.918 415 HB VAL 49 HB VAL 49 170.443 -5.322 7.631 416 1HG1 VAL 49 HG11 VAL 49 172.667 -4.985 8.224 417 2HG1 VAL 49 HG12 VAL 49 171.998 -5.829 9.620 418 3HG1 VAL 49 HG13 VAL 49 172.244 -4.084 9.681 419 1HG2 VAL 49 HG21 VAL 49 169.969 -5.770 10.255 420 2HG2 VAL 49 HG22 VAL 49 168.705 -5.602 9.036 421 3HG2 VAL 49 HG23 VAL 49 169.153 -4.222 10.036 422 H ALA 50 HN ALA 50 171.669 -1.099 7.628 423 HA ALA 50 HA ALA 50 172.504 -1.868 4.943 424 1HB ALA 50 HB1 ALA 50 171.652 0.498 5.887 425 2HB ALA 50 HB2 ALA 50 172.712 0.335 4.486 426 3HB ALA 50 HB3 ALA 50 173.394 0.710 6.068 427 H ASP 51 HN ASP 51 174.107 -3.383 5.205 428 HA ASP 51 HA ASP 51 176.436 -2.619 6.824 429 1HB ASP 51 HB2 ASP 51 175.773 -5.329 5.654 430 2HB ASP 51 HB1 ASP 51 177.062 -4.962 6.798 431 H ALA 52 HN ALA 52 177.539 -1.271 5.448 432 HA ALA 52 HA ALA 52 178.264 -2.310 2.803 433 1HB ALA 52 HB1 ALA 52 179.298 0.258 3.026 434 2HB ALA 52 HB2 ALA 52 177.749 0.328 3.865 435 3HB ALA 52 HB3 ALA 52 177.822 -0.219 2.190 436 H THR 53 HN THR 53 179.993 -3.614 2.989 437 HA THR 53 HA THR 53 182.240 -2.749 4.668 438 HB THR 53 HB THR 53 182.507 -5.385 3.462 439 HG1 THR 53 HG1 THR 53 180.692 -6.268 4.040 440 1HG2 THR 53 HG21 THR 53 183.760 -4.568 5.442 441 2HG2 THR 53 HG22 THR 53 182.940 -6.110 5.688 442 3HG2 THR 53 HG23 THR 53 182.255 -4.630 6.358 443 H ILE 54 HN ILE 54 183.471 -1.401 3.480 444 HA ILE 54 HA ILE 54 184.129 -2.148 0.724 445 HB ILE 54 HB ILE 54 184.873 0.428 2.094 446 1HG1 ILE 54 HG12 ILE 54 182.448 0.006 0.345 447 2HG1 ILE 54 HG11 ILE 54 182.372 -0.057 2.103 448 1HG2 ILE 54 HG21 ILE 54 185.916 0.850 0.182 449 2HG2 ILE 54 HG22 ILE 54 184.381 0.715 -0.675 450 3HG2 ILE 54 HG23 ILE 54 185.401 -0.707 -0.466 451 1HD1 ILE 54 HD11 ILE 54 183.077 2.292 0.375 452 2HD1 ILE 54 HD12 ILE 54 183.324 2.263 2.120 453 3HD1 ILE 54 HD13 ILE 54 181.697 2.107 1.458 454 H ASN 55 HN ASN 55 186.169 -2.612 0.059 455 HA ASN 55 HA ASN 55 188.115 -3.146 2.161 456 1HB ASN 55 HB2 ASN 55 187.352 -4.634 0.024 457 2HB ASN 55 HB1 ASN 55 188.779 -3.838 -0.634 458 1HD2 ASN 55 HD21 ASN 55 187.927 -5.141 2.557 459 2HD2 ASN 55 HD22 ASN 55 189.319 -6.156 2.700 460 H THR 56 HN THR 56 189.047 -1.204 2.662 461 HA THR 56 HA THR 56 190.155 0.435 0.518 462 HB THR 56 HB THR 56 189.158 1.828 2.092 463 HG1 THR 56 HG1 THR 56 191.478 2.065 3.481 464 1HG2 THR 56 HG21 THR 56 190.317 0.077 4.239 465 2HG2 THR 56 HG22 THR 56 188.617 0.365 3.869 466 3HG2 THR 56 HG23 THR 56 189.602 1.657 4.553 467 HA PRO 57 HA PRO 57 194.284 -1.058 0.637 468 1HB PRO 57 HB2 PRO 57 195.655 1.370 0.814 469 2HB PRO 57 HB1 PRO 57 195.127 0.585 -0.678 470 1HG PRO 57 HG2 PRO 57 193.836 2.787 0.868 471 2HG PRO 57 HG1 PRO 57 193.937 2.553 -0.886 472 1HD PRO 57 HD2 PRO 57 191.679 2.039 0.448 473 2HD PRO 57 HD1 PRO 57 192.197 1.012 -0.905 474 H ASN 58 HN ASN 58 193.149 1.115 3.111 475 HA ASN 58 HA ASN 58 195.411 0.529 4.847 476 1HB ASN 58 HB2 ASN 58 193.584 2.683 4.606 477 2HB ASN 58 HB1 ASN 58 193.330 1.970 6.196 478 1HD2 ASN 58 HD21 ASN 58 194.909 2.123 7.734 479 2HD2 ASN 58 HD22 ASN 58 196.318 3.105 7.549 480 H GLY 59 HN GLY 59 192.193 -0.564 4.277 481 1HA GLY 59 HA2 GLY 59 192.376 -2.839 5.831 482 2HA GLY 59 HA1 GLY 59 191.671 -1.615 6.876 483 H VAL 60 HN VAL 60 189.531 -1.568 6.915 484 HA VAL 60 HA VAL 60 188.017 -2.022 4.472 485 HB VAL 60 HB VAL 60 187.390 -3.634 6.945 486 1HG1 VAL 60 HG11 VAL 60 186.347 -3.912 4.131 487 2HG1 VAL 60 HG12 VAL 60 185.511 -3.041 5.417 488 3HG1 VAL 60 HG13 VAL 60 185.797 -4.774 5.568 489 1HG2 VAL 60 HG21 VAL 60 189.481 -4.436 6.031 490 2HG2 VAL 60 HG22 VAL 60 188.783 -4.495 4.412 491 3HG2 VAL 60 HG23 VAL 60 188.195 -5.587 5.665 492 H LEU 61 HN LEU 61 186.606 -0.414 4.349 493 HA LEU 61 HA LEU 61 185.799 1.017 6.744 494 1HB LEU 61 HB2 LEU 61 185.529 1.500 3.800 495 2HB LEU 61 HB1 LEU 61 184.544 2.405 4.932 496 HG LEU 61 HG LEU 61 187.405 2.400 5.588 497 1HD1 LEU 61 HD11 LEU 61 187.190 2.461 2.994 498 2HD1 LEU 61 HD12 LEU 61 188.228 3.624 3.818 499 3HD1 LEU 61 HD13 LEU 61 186.624 4.109 3.268 500 1HD2 LEU 61 HD21 LEU 61 185.883 4.881 5.107 501 2HD2 LEU 61 HD22 LEU 61 186.922 4.424 6.458 502 3HD2 LEU 61 HD23 LEU 61 185.266 3.821 6.373 503 H VAL 62 HN VAL 62 184.288 -0.105 7.856 504 HA VAL 62 HA VAL 62 182.052 -1.325 6.439 505 HB VAL 62 HB VAL 62 182.586 -1.349 9.407 506 1HG1 VAL 62 HG11 VAL 62 180.392 -2.017 9.147 507 2HG1 VAL 62 HG12 VAL 62 181.250 -3.556 9.075 508 3HG1 VAL 62 HG13 VAL 62 180.699 -2.783 7.589 509 1HG2 VAL 62 HG21 VAL 62 184.442 -2.487 8.779 510 2HG2 VAL 62 HG22 VAL 62 183.783 -2.907 7.198 511 3HG2 VAL 62 HG23 VAL 62 183.290 -3.814 8.626 512 H ALA 63 HN ALA 63 180.468 0.053 5.911 513 HA ALA 63 HA ALA 63 179.755 2.228 7.722 514 1HB ALA 63 HB1 ALA 63 178.660 3.235 5.939 515 2HB ALA 63 HB2 ALA 63 178.422 1.706 5.094 516 3HB ALA 63 HB3 ALA 63 180.026 2.434 5.162 517 H SER 64 HN SER 64 178.412 1.676 9.323 518 HA SER 64 HA SER 64 176.254 -0.234 8.756 519 1HB SER 64 HB2 SER 64 176.507 0.460 11.554 520 2HB SER 64 HB1 SER 64 176.641 -1.119 10.781 521 HG SER 64 HG SER 64 178.633 0.726 11.436 522 H GLY 65 HN GLY 65 174.302 0.567 8.413 523 1HA GLY 65 HA2 GLY 65 173.485 2.976 9.899 524 2HA GLY 65 HA1 GLY 65 173.240 2.890 8.161 525 H LYS 66 HN LYS 66 172.013 2.065 11.238 526 HA LYS 66 HA LYS 66 169.991 0.290 10.078 527 1HB LYS 66 HB2 LYS 66 171.344 -0.273 12.207 528 2HB LYS 66 HB1 LYS 66 170.291 0.883 13.009 529 1HG LYS 66 HG2 LYS 66 168.947 -0.854 13.371 530 2HG LYS 66 HG1 LYS 66 168.504 -0.698 11.670 531 1HD LYS 66 HD2 LYS 66 169.088 -2.913 11.740 532 2HD LYS 66 HD1 LYS 66 170.642 -2.193 11.318 533 1HE LYS 66 HE2 LYS 66 171.132 -3.703 13.044 534 2HE LYS 66 HE1 LYS 66 171.097 -2.122 13.826 535 1HZ LYS 66 HZ1 LYS 66 168.664 -2.704 14.316 536 2HZ LYS 66 HZ2 LYS 66 169.865 -3.458 15.237 537 3HZ LYS 66 HZ3 LYS 66 169.113 -4.299 13.978 538 H HIS 67 HN HIS 67 167.911 0.885 9.847 539 HA HIS 67 HA HIS 67 166.595 2.798 11.450 540 1HB HIS 67 HB2 HIS 67 168.271 4.040 9.670 541 2HB HIS 67 HB1 HIS 67 166.746 4.033 8.791 542 HD1 HIS 67 HD1 HIS 67 168.162 5.179 12.116 543 HD2 HIS 67 HD2 HIS 67 164.979 5.964 9.562 544 HE1 HIS 67 HE1 HIS 67 167.009 7.194 13.080 545 HE2 HIS 67 HE2 HIS 67 165.040 7.603 11.561 546 H GLU 68 HN GLU 68 164.401 2.944 11.022 547 HA GLU 68 HA GLU 68 163.201 0.778 9.736 548 1HB GLU 68 HB2 GLU 68 161.085 1.941 10.094 549 2HB GLU 68 HB1 GLU 68 162.108 2.050 11.518 550 1HG GLU 68 HG2 GLU 68 162.070 4.262 11.466 551 2HG GLU 68 HG1 GLU 68 162.564 4.291 9.774 552 H ASP 69 HN ASP 69 164.062 3.940 8.523 553 HA ASP 69 HA ASP 69 162.575 3.523 6.057 554 1HB ASP 69 HB2 ASP 69 163.539 5.798 7.479 555 2HB ASP 69 HB1 ASP 69 164.280 5.802 5.882 556 H MET 70 HN MET 70 163.411 2.542 4.349 557 HA MET 70 HA MET 70 165.986 1.488 4.261 558 1HB MET 70 HB2 MET 70 165.528 0.829 2.012 559 2HB MET 70 HB1 MET 70 164.035 0.685 2.922 560 1HG MET 70 HG2 MET 70 164.621 3.131 1.299 561 2HG MET 70 HG1 MET 70 163.972 1.677 0.557 562 1HE MET 70 HE1 MET 70 161.593 0.875 3.259 563 2HE MET 70 HE2 MET 70 162.192 0.368 1.679 564 3HE MET 70 HE3 MET 70 160.611 1.135 1.818 565 H TYR 71 HN TYR 71 164.697 4.411 2.741 566 HA TYR 71 HA TYR 71 167.119 5.115 1.447 567 1HB TYR 71 HB2 TYR 71 164.510 6.426 1.951 568 2HB TYR 71 HB1 TYR 71 165.872 7.495 1.636 569 HD1 TYR 71 HD1 TYR 71 164.602 8.218 -0.406 570 HD2 TYR 71 HD2 TYR 71 166.022 4.235 0.081 571 HE1 TYR 71 HE1 TYR 71 164.351 7.835 -2.822 572 HE2 TYR 71 HE2 TYR 71 165.779 3.843 -2.329 573 HH TYR 71 HH TYR 71 165.657 5.982 -4.540 574 H THR 72 HN THR 72 165.884 5.588 4.656 575 HA THR 72 HA THR 72 167.731 7.658 5.379 576 HB THR 72 HB THR 72 166.097 5.777 7.098 577 HG1 THR 72 HG1 THR 72 165.668 8.423 6.189 578 1HG2 THR 72 HG21 THR 72 167.598 6.515 8.651 579 2HG2 THR 72 HG22 THR 72 166.391 7.800 8.723 580 3HG2 THR 72 HG23 THR 72 167.883 8.041 7.814 581 H ALA 73 HN ALA 73 167.716 4.179 5.338 582 HA ALA 73 HA ALA 73 169.972 3.780 7.025 583 1HB ALA 73 HB1 ALA 73 168.872 1.810 6.877 584 2HB ALA 73 HB2 ALA 73 169.963 1.556 5.515 585 3HB ALA 73 HB3 ALA 73 168.316 2.120 5.231 586 H ILE 74 HN ILE 74 169.513 4.239 3.566 587 HA ILE 74 HA ILE 74 172.175 3.642 2.789 588 HB ILE 74 HB ILE 74 170.834 5.702 1.164 589 1HG1 ILE 74 HG12 ILE 74 168.858 4.430 1.970 590 2HG1 ILE 74 HG11 ILE 74 169.123 4.252 0.243 591 1HG2 ILE 74 HG21 ILE 74 172.551 4.799 0.010 592 2HG2 ILE 74 HG22 ILE 74 171.296 3.670 -0.497 593 3HG2 ILE 74 HG23 ILE 74 172.407 3.229 0.800 594 1HD1 ILE 74 HD11 ILE 74 170.416 2.101 0.967 595 2HD1 ILE 74 HD12 ILE 74 168.656 2.104 0.837 596 3HD1 ILE 74 HD13 ILE 74 169.425 2.253 2.418 597 H ASN 75 HN ASN 75 170.517 6.664 3.592 598 HA ASN 75 HA ASN 75 172.714 8.374 3.132 599 1HB ASN 75 HB2 ASN 75 170.222 8.671 4.806 600 2HB ASN 75 HB1 ASN 75 171.413 9.958 4.641 601 1HD2 ASN 75 HD21 ASN 75 168.577 8.810 3.483 602 2HD2 ASN 75 HD22 ASN 75 168.583 9.536 1.916 603 H GLU 76 HN GLU 76 171.336 7.256 6.233 604 HA GLU 76 HA GLU 76 173.303 8.261 7.903 605 1HB GLU 76 HB2 GLU 76 171.320 6.059 8.087 606 2HB GLU 76 HB1 GLU 76 172.627 6.047 9.263 607 1HG GLU 76 HG2 GLU 76 170.699 8.306 8.777 608 2HG GLU 76 HG1 GLU 76 170.672 7.183 10.137 609 H LEU 77 HN LEU 77 173.317 5.379 5.926 610 HA LEU 77 HA LEU 77 175.503 4.058 7.102 611 1HB LEU 77 HB2 LEU 77 174.027 2.920 5.569 612 2HB LEU 77 HB1 LEU 77 174.454 4.021 4.275 613 HG LEU 77 HG LEU 77 176.588 2.347 5.538 614 1HD1 LEU 77 HD11 LEU 77 174.315 1.380 3.944 615 2HD1 LEU 77 HD12 LEU 77 175.399 0.509 5.027 616 3HD1 LEU 77 HD13 LEU 77 175.906 0.871 3.377 617 1HD2 LEU 77 HD21 LEU 77 176.178 3.918 3.069 618 2HD2 LEU 77 HD22 LEU 77 177.104 2.425 2.910 619 3HD2 LEU 77 HD23 LEU 77 177.634 3.674 4.035 620 H ILE 78 HN ILE 78 175.382 6.193 4.250 621 HA ILE 78 HA ILE 78 178.160 6.220 3.795 622 HB ILE 78 HB ILE 78 176.513 6.898 2.098 623 1HG1 ILE 78 HG12 ILE 78 178.177 9.341 2.493 624 2HG1 ILE 78 HG11 ILE 78 179.006 7.795 2.350 625 1HG2 ILE 78 HG21 ILE 78 175.914 8.985 4.107 626 2HG2 ILE 78 HG22 ILE 78 174.847 8.157 2.972 627 3HG2 ILE 78 HG23 ILE 78 175.880 9.472 2.412 628 1HD1 ILE 78 HD11 ILE 78 178.344 7.493 0.168 629 2HD1 ILE 78 HD12 ILE 78 178.578 9.241 0.243 630 3HD1 ILE 78 HD13 ILE 78 176.951 8.563 0.332 631 H ASN 79 HN ASN 79 176.192 7.914 6.075 632 HA ASN 79 HA ASN 79 177.913 10.124 6.533 633 1HB ASN 79 HB2 ASN 79 175.830 8.856 8.322 634 2HB ASN 79 HB1 ASN 79 176.614 10.402 8.632 635 1HD2 ASN 79 HD21 ASN 79 173.913 10.277 8.485 636 2HD2 ASN 79 HD22 ASN 79 173.357 11.049 7.042 637 H LYS 80 HN LYS 80 177.359 7.168 8.455 638 HA LYS 80 HA LYS 80 179.400 7.609 10.312 639 1HB LYS 80 HB2 LYS 80 178.468 4.897 9.370 640 2HB LYS 80 HB1 LYS 80 179.157 5.305 10.933 641 1HG LYS 80 HG2 LYS 80 176.475 6.169 9.878 642 2HG LYS 80 HG1 LYS 80 176.781 4.980 11.142 643 1HD LYS 80 HD2 LYS 80 177.804 7.779 11.424 644 2HD LYS 80 HD1 LYS 80 176.122 7.405 11.798 645 1HE LYS 80 HE2 LYS 80 178.404 5.848 12.975 646 2HE LYS 80 HE1 LYS 80 177.798 7.326 13.721 647 1HZ LYS 80 HZ1 LYS 80 175.561 6.239 13.717 648 2HZ LYS 80 HZ2 LYS 80 176.698 5.521 14.746 649 3HZ LYS 80 HZ3 LYS 80 176.321 4.796 13.265 650 H LEU 81 HN LEU 81 179.450 5.958 7.190 651 HA LEU 81 HA LEU 81 182.054 4.915 7.366 652 1HB LEU 81 HB2 LEU 81 180.102 4.560 5.622 653 2HB LEU 81 HB1 LEU 81 180.953 5.815 4.744 654 HG LEU 81 HG LEU 81 181.547 3.490 4.058 655 1HD1 LEU 81 HD11 LEU 81 183.875 4.987 5.236 656 2HD1 LEU 81 HD12 LEU 81 183.041 5.475 3.760 657 3HD1 LEU 81 HD13 LEU 81 183.874 3.921 3.830 658 1HD2 LEU 81 HD21 LEU 81 182.449 1.959 5.455 659 2HD2 LEU 81 HD22 LEU 81 181.540 2.869 6.661 660 3HD2 LEU 81 HD23 LEU 81 183.263 3.174 6.440 661 H GLU 82 HN GLU 82 180.848 7.997 6.089 662 HA GLU 82 HA GLU 82 183.230 8.979 5.037 663 1HB GLU 82 HB2 GLU 82 180.627 10.016 5.679 664 2HB GLU 82 HB1 GLU 82 181.856 11.180 6.154 665 1HG GLU 82 HG2 GLU 82 181.776 11.870 4.045 666 2HG GLU 82 HG1 GLU 82 182.706 10.419 3.670 667 H ARG 83 HN ARG 83 181.877 9.485 8.296 668 HA ARG 83 HA ARG 83 183.961 11.027 9.322 669 1HB ARG 83 HB2 ARG 83 182.233 9.049 10.822 670 2HB ARG 83 HB1 ARG 83 183.146 10.373 11.533 671 1HG ARG 83 HG2 ARG 83 181.756 11.996 10.452 672 2HG ARG 83 HG1 ARG 83 180.927 10.739 9.532 673 1HD ARG 83 HD2 ARG 83 179.661 11.598 11.514 674 2HD ARG 83 HD1 ARG 83 179.921 9.853 11.501 675 HE ARG 83 HE ARG 83 181.199 10.063 13.389 676 1HH1 ARG 83 HH11 ARG 83 180.750 13.219 11.972 677 2HH1 ARG 83 HH12 ARG 83 181.448 14.060 13.313 678 1HH2 ARG 83 HH21 ARG 83 182.120 11.166 15.156 679 2HH2 ARG 83 HH22 ARG 83 182.227 12.894 15.122 680 H GLN 84 HN GLN 84 183.477 7.507 9.499 681 HA GLN 84 HA GLN 84 185.833 6.909 10.896 682 1HB GLN 84 HB2 GLN 84 184.032 5.292 10.680 683 2HB GLN 84 HB1 GLN 84 184.251 5.235 8.937 684 1HG GLN 84 HG2 GLN 84 186.748 4.623 10.079 685 2HG GLN 84 HG1 GLN 84 185.539 3.703 10.974 686 1HE2 GLN 84 HE21 GLN 84 183.689 3.319 8.911 687 2HE2 GLN 84 HE22 GLN 84 184.381 2.249 7.746 688 H LEU 85 HN LEU 85 185.229 7.552 7.524 689 HA LEU 85 HA LEU 85 187.671 6.496 6.523 690 1HB LEU 85 HB2 LEU 85 185.385 7.307 5.364 691 2HB LEU 85 HB1 LEU 85 186.362 8.738 5.098 692 HG LEU 85 HG LEU 85 187.480 6.074 4.345 693 1HD1 LEU 85 HD11 LEU 85 185.815 7.603 2.393 694 2HD1 LEU 85 HD12 LEU 85 185.061 6.427 3.471 695 3HD1 LEU 85 HD13 LEU 85 186.326 5.915 2.353 696 1HD2 LEU 85 HD21 LEU 85 188.050 8.891 3.891 697 2HD2 LEU 85 HD22 LEU 85 188.046 7.941 2.405 698 3HD2 LEU 85 HD23 LEU 85 189.101 7.483 3.740 699 H ASN 86 HN ASN 86 186.607 9.780 7.365 700 HA ASN 86 HA ASN 86 188.906 11.165 6.651 701 1HB ASN 86 HB2 ASN 86 186.912 11.683 8.860 702 2HB ASN 86 HB1 ASN 86 188.183 12.821 8.423 703 1HD2 ASN 86 HD21 ASN 86 185.064 11.723 7.764 704 2HD2 ASN 86 HD22 ASN 86 184.775 12.642 6.331 705 H LYS 87 HN LYS 87 188.127 9.493 9.668 706 HA LYS 87 HA LYS 87 190.377 10.285 11.143 707 1HB LYS 87 HB2 LYS 87 188.478 9.249 12.224 708 2HB LYS 87 HB1 LYS 87 188.706 7.772 11.300 709 1HG LYS 87 HG2 LYS 87 190.981 8.673 12.963 710 2HG LYS 87 HG1 LYS 87 189.556 8.067 13.809 711 1HD LYS 87 HD2 LYS 87 191.093 6.604 11.660 712 2HD LYS 87 HD1 LYS 87 191.178 6.281 13.392 713 1HE LYS 87 HE2 LYS 87 188.643 5.919 13.250 714 2HE LYS 87 HE1 LYS 87 188.885 5.830 11.508 715 1HZ LYS 87 HZ1 LYS 87 189.262 3.680 11.885 716 2HZ LYS 87 HZ2 LYS 87 189.504 3.896 13.543 717 3HZ LYS 87 HZ3 LYS 87 190.780 4.157 12.462 718 H LEU 88 HN LEU 88 189.826 7.257 9.341 719 HA LEU 88 HA LEU 88 192.347 6.145 9.695 720 1HB LEU 88 HB2 LEU 88 190.020 5.555 8.224 721 2HB LEU 88 HB1 LEU 88 191.338 5.537 7.067 722 HG LEU 88 HG LEU 88 191.315 3.944 9.632 723 1HD1 LEU 88 HD11 LEU 88 191.060 2.027 7.926 724 2HD1 LEU 88 HD12 LEU 88 190.430 3.276 6.852 725 3HD1 LEU 88 HD13 LEU 88 189.629 2.948 8.390 726 1HD2 LEU 88 HD21 LEU 88 193.225 2.821 8.741 727 2HD2 LEU 88 HD22 LEU 88 193.538 4.556 8.667 728 3HD2 LEU 88 HD23 LEU 88 193.081 3.678 7.206 729 H GLN 89 HN GLN 89 191.324 8.705 7.586 730 HA GLN 89 HA GLN 89 193.742 8.580 5.983 731 1HB GLN 89 HB2 GLN 89 191.129 9.715 5.688 732 2HB GLN 89 HB1 GLN 89 192.326 10.986 5.486 733 1HG GLN 89 HG2 GLN 89 191.654 9.854 3.381 734 2HG GLN 89 HG1 GLN 89 193.386 9.816 3.709 735 1HE2 GLN 89 HE21 GLN 89 194.397 7.904 3.828 736 2HE2 GLN 89 HE22 GLN 89 193.615 6.367 3.723 737 H HIS 90 HN HIS 90 192.588 10.197 8.801 738 HA HIS 90 HA HIS 90 194.042 12.562 8.769 739 1HB HIS 90 HB2 HIS 90 192.315 11.615 10.496 740 2HB HIS 90 HB1 HIS 90 193.750 11.003 11.312 741 HD1 HIS 90 HD1 HIS 90 193.827 12.534 13.295 742 HD2 HIS 90 HD2 HIS 90 193.473 14.594 9.704 743 HE1 HIS 90 HE1 HIS 90 194.113 14.962 13.882 744 HE2 HIS 90 HE2 HIS 90 193.814 16.196 11.707 745 H LYS 91 HN LYS 91 196.138 12.731 8.317 746 HA LYS 91 HA LYS 91 198.065 11.394 10.006 747 1HB LYS 91 HB2 LYS 91 197.684 9.760 8.186 748 2HB LYS 91 HB1 LYS 91 198.142 10.985 7.011 749 1HG LYS 91 HG2 LYS 91 200.214 10.816 8.938 750 2HG LYS 91 HG1 LYS 91 199.801 9.176 8.434 751 1HD LYS 91 HD2 LYS 91 200.500 11.473 6.605 752 2HD LYS 91 HD1 LYS 91 201.551 10.118 7.017 753 1HE LYS 91 HE2 LYS 91 198.997 9.187 6.054 754 2HE LYS 91 HE1 LYS 91 199.746 10.280 4.891 755 1HZ LYS 91 HZ1 LYS 91 200.798 8.422 4.248 756 2HZ LYS 91 HZ2 LYS 91 200.555 7.625 5.721 757 3HZ LYS 91 HZ3 LYS 91 201.817 8.739 5.561 758 H GLY 92 HN GLY 92 197.355 14.088 9.772 759 1HA GLY 92 HA2 GLY 92 199.860 15.192 8.673 760 2HA GLY 92 HA1 GLY 92 198.321 15.983 8.365 761 H GLU 93 HN GLU 93 200.744 15.246 10.774 762 HA GLU 93 HA GLU 93 200.377 17.653 12.161 763 1HB GLU 93 HB2 GLU 93 198.295 16.194 12.805 764 2HB GLU 93 HB1 GLU 93 199.437 15.375 13.863 765 1HG GLU 93 HG2 GLU 93 198.332 17.041 15.138 766 2HG GLU 93 HG1 GLU 93 199.988 17.585 14.867 767 H ALA 94 HN ALA 94 202.670 17.279 11.611 768 HA ALA 94 HA ALA 94 204.064 15.387 13.347 769 1HB ALA 94 HB1 ALA 94 204.658 16.726 10.812 770 2HB ALA 94 HB2 ALA 94 205.200 15.164 11.427 771 3HB ALA 94 HB3 ALA 94 206.022 16.643 11.926 772 H ARG 95 HN ARG 95 205.776 16.031 14.729 773 HA ARG 95 HA ARG 95 205.241 18.309 16.281 774 1HB ARG 95 HB2 ARG 95 206.829 16.044 16.527 775 2HB ARG 95 HB1 ARG 95 207.991 17.363 16.503 776 1HG ARG 95 HG2 ARG 95 205.619 17.634 18.267 777 2HG ARG 95 HG1 ARG 95 206.892 16.507 18.743 778 1HD ARG 95 HD2 ARG 95 208.311 18.732 17.995 779 2HD ARG 95 HD1 ARG 95 206.871 19.428 18.738 780 HE ARG 95 HE ARG 95 209.025 18.205 20.084 781 1HH1 ARG 95 HH11 ARG 95 205.541 18.400 20.161 782 2HH1 ARG 95 HH12 ARG 95 205.436 18.100 21.862 783 1HH2 ARG 95 HH21 ARG 95 208.889 17.809 22.323 784 2HH2 ARG 95 HH22 ARG 95 207.336 17.764 23.091 785 H ARG 96 HN ARG 96 205.244 20.185 15.086 786 HA ARG 96 HA ARG 96 207.619 20.902 13.561 787 1HB ARG 96 HB2 ARG 96 204.988 21.383 13.112 788 2HB ARG 96 HB1 ARG 96 205.455 22.885 13.897 789 1HG ARG 96 HG2 ARG 96 206.632 23.592 12.129 790 2HG ARG 96 HG1 ARG 96 207.299 21.992 11.805 791 1HD ARG 96 HD2 ARG 96 204.517 21.909 11.248 792 2HD ARG 96 HD1 ARG 96 205.183 23.342 10.469 793 HE ARG 96 HE ARG 96 206.359 21.990 9.031 794 1HH1 ARG 96 HH11 ARG 96 205.064 20.056 11.634 795 2HH1 ARG 96 HH12 ARG 96 205.466 18.551 10.880 796 1HH2 ARG 96 HH21 ARG 96 206.887 20.010 8.041 797 2HH2 ARG 96 HH22 ARG 96 206.502 18.523 8.842 798 H ALA 97 HN ALA 97 207.709 23.624 13.861 799 HA ALA 97 HA ALA 97 208.610 25.280 15.135 800 1HB ALA 97 HB1 ALA 97 206.430 24.638 16.460 801 2HB ALA 97 HB2 ALA 97 207.614 25.753 17.140 802 3HB ALA 97 HB3 ALA 97 207.593 24.067 17.656 803 H ALA 98 HN ALA 98 210.179 25.709 16.947 804 HA ALA 98 HA ALA 98 212.179 25.316 17.957 805 1HB ALA 98 HB1 ALA 98 212.182 23.634 19.443 806 2HB ALA 98 HB2 ALA 98 211.861 22.412 18.212 807 3HB ALA 98 HB3 ALA 98 210.532 23.360 18.880 808 H THR 99 HN THR 99 213.983 23.252 17.870 809 HA THR 99 HA THR 99 214.998 23.517 15.198 810 HB THR 99 HB THR 99 216.069 21.915 17.528 811 HG1 THR 99 HG1 THR 99 217.437 23.743 17.776 812 1HG2 THR 99 HG21 THR 99 217.432 21.091 15.947 813 2HG2 THR 99 HG22 THR 99 218.241 22.647 16.134 814 3HG2 THR 99 HG23 THR 99 217.094 22.404 14.816 815 H SER 100 HN SER 100 212.776 21.436 16.515 816 HA SER 100 HA SER 100 213.622 19.112 14.961 817 1HB SER 100 HB2 SER 100 211.046 18.908 16.333 818 2HB SER 100 HB1 SER 100 212.465 17.868 16.440 819 HG SER 100 HG SER 100 213.306 19.162 18.001 820 H VAL 101 HN VAL 101 212.829 21.480 13.550 821 HA VAL 101 HA VAL 101 210.199 20.803 12.461 822 HB VAL 101 HB VAL 101 210.618 23.161 13.021 823 1HG1 VAL 101 HG11 VAL 101 212.385 23.661 10.740 824 2HG1 VAL 101 HG12 VAL 101 213.133 22.755 12.054 825 3HG1 VAL 101 HG13 VAL 101 212.416 24.332 12.371 826 1HG2 VAL 101 HG21 VAL 101 210.483 23.099 10.043 827 2HG2 VAL 101 HG22 VAL 101 209.509 24.011 11.196 828 3HG2 VAL 101 HG23 VAL 101 209.230 22.284 10.978 829 H LYS 102 HN LYS 102 213.592 20.827 11.642 830 HA LYS 102 HA LYS 102 213.236 20.435 8.836 831 1HB LYS 102 HB2 LYS 102 215.627 19.961 8.796 832 2HB LYS 102 HB1 LYS 102 215.300 21.387 9.773 833 1HG LYS 102 HG2 LYS 102 216.334 20.481 11.503 834 2HG LYS 102 HG1 LYS 102 215.250 19.088 11.459 835 1HD LYS 102 HD2 LYS 102 216.679 17.976 9.859 836 2HD LYS 102 HD1 LYS 102 217.720 19.396 9.754 837 1HE LYS 102 HE2 LYS 102 217.496 18.671 12.491 838 2HE LYS 102 HE1 LYS 102 217.863 17.212 11.571 839 1HZ LYS 102 HZ1 LYS 102 219.676 18.601 10.494 840 2HZ LYS 102 HZ2 LYS 102 219.925 18.130 12.099 841 3HZ LYS 102 HZ3 LYS 102 219.434 19.709 11.749 842 H ASP 103 HN ASP 103 211.518 18.711 9.415 843 HA ASP 103 HA ASP 103 212.650 16.161 8.758 844 1HB ASP 103 HB2 ASP 103 211.822 14.927 10.688 845 2HB ASP 103 HB1 ASP 103 212.948 16.175 11.213 846 H ALA 104 HN ALA 104 211.344 15.607 7.146 847 HA ALA 104 HA ALA 104 208.662 16.521 6.912 848 1HB ALA 104 HB1 ALA 104 210.503 15.573 5.155 849 2HB ALA 104 HB2 ALA 104 208.786 15.767 4.800 850 3HB ALA 104 HB3 ALA 104 209.413 14.193 5.291 851 H ASN 105 HN ASN 105 206.959 14.714 6.256 852 HA ASN 105 HA ASN 105 206.329 13.344 8.658 853 1HB ASN 105 HB2 ASN 105 205.082 12.867 5.947 854 2HB ASN 105 HB1 ASN 105 204.354 12.592 7.528 855 1HD2 ASN 105 HD21 ASN 105 203.584 14.281 5.193 856 2HD2 ASN 105 HD22 ASN 105 203.337 15.858 5.852 857 H PHE 106 HN PHE 106 208.337 12.102 8.859 858 HA PHE 106 HA PHE 106 208.705 9.884 7.039 859 1HB PHE 106 HB2 PHE 106 210.217 10.959 9.385 860 2HB PHE 106 HB1 PHE 106 210.539 9.325 8.814 861 HD1 PHE 106 HD1 PHE 106 209.810 12.488 6.982 862 HD2 PHE 106 HD2 PHE 106 212.569 9.337 7.734 863 HE1 PHE 106 HE1 PHE 106 211.308 13.391 5.251 864 HE2 PHE 106 HE2 PHE 106 214.072 10.234 6.006 865 HZ PHE 106 HZ PHE 106 213.442 12.264 4.761 866 H VAL 107 HN VAL 107 209.296 9.256 10.356 867 HA VAL 107 HA VAL 107 207.275 7.143 10.298 868 HB VAL 107 HB VAL 107 209.521 7.545 12.279 869 1HG1 VAL 107 HG11 VAL 107 208.006 6.197 13.381 870 2HG1 VAL 107 HG12 VAL 107 209.019 5.006 12.566 871 3HG1 VAL 107 HG13 VAL 107 207.445 5.432 11.894 872 1HG2 VAL 107 HG21 VAL 107 210.741 7.023 10.429 873 2HG2 VAL 107 HG22 VAL 107 209.397 6.196 9.640 874 3HG2 VAL 107 HG23 VAL 107 210.295 5.391 10.928 875 H GLU 108 HN GLU 108 205.386 7.537 11.219 876 HA GLU 108 HA GLU 108 205.300 9.326 13.558 877 1HB GLU 108 HB2 GLU 108 203.939 9.553 11.115 878 2HB GLU 108 HB1 GLU 108 202.732 9.013 12.272 879 1HG GLU 108 HG2 GLU 108 202.764 11.422 12.149 880 2HG GLU 108 HG1 GLU 108 203.302 10.884 13.739 881 H GLU 109 HN GLU 109 204.934 6.168 12.557 882 HA GLU 109 HA GLU 109 202.888 5.515 14.539 883 1HB GLU 109 HB2 GLU 109 202.693 4.492 12.315 884 2HB GLU 109 HB1 GLU 109 204.282 3.765 12.505 885 1HG GLU 109 HG2 GLU 109 203.534 2.152 13.911 886 2HG GLU 109 HG1 GLU 109 202.267 3.173 14.589 887 H VAL 110 HN VAL 110 203.287 4.428 16.396 888 HA VAL 110 HA VAL 110 204.451 3.619 18.177 889 HB VAL 110 HB VAL 110 206.476 2.569 16.208 890 1HG1 VAL 110 HG11 VAL 110 206.461 2.448 18.913 891 2HG1 VAL 110 HG12 VAL 110 207.219 1.246 17.866 892 3HG1 VAL 110 HG13 VAL 110 205.599 0.964 18.507 893 1HG2 VAL 110 HG21 VAL 110 203.657 1.951 16.390 894 2HG2 VAL 110 HG22 VAL 110 204.650 0.532 16.723 895 3HG2 VAL 110 HG23 VAL 110 204.853 1.414 15.211 896 H GLU 111 HN GLU 111 204.936 5.883 18.685 897 HA GLU 111 HA GLU 111 207.668 6.725 18.126 898 1HB GLU 111 HB2 GLU 111 206.014 8.481 19.792 899 2HB GLU 111 HB1 GLU 111 206.987 8.860 18.381 900 1HG GLU 111 HG2 GLU 111 204.947 9.287 17.515 901 2HG GLU 111 HG1 GLU 111 205.028 7.563 17.151 902 H GLU 112 HN GLU 112 205.652 6.997 20.968 903 HA GLU 112 HA GLU 112 207.624 5.630 22.603 904 1HB GLU 112 HB2 GLU 112 208.403 7.952 22.621 905 2HB GLU 112 HB1 GLU 112 206.813 8.495 23.137 906 1HG GLU 112 HG2 GLU 112 207.092 7.151 25.208 907 2HG GLU 112 HG1 GLU 112 208.741 6.792 24.697 908 H GLU 113 HN GLU 113 204.924 7.859 23.265 909 HA GLU 113 HA GLU 113 203.828 6.075 25.225 910 1HB GLU 113 HB2 GLU 113 203.112 8.765 24.146 911 2HB GLU 113 HB1 GLU 113 201.881 7.855 25.011 912 1HG GLU 113 HG2 GLU 113 204.490 8.003 26.348 913 2HG GLU 113 HG1 GLU 113 203.643 9.538 26.172 Start of MODEL 2 1 1H MET 1 HT1 MET 1 186.087 -2.226 -6.032 2 2H MET 1 HT2 MET 1 187.089 -1.004 -6.700 3 3H MET 1 HT3 MET 1 186.641 -2.364 -7.648 4 HA MET 1 HA MET 1 184.666 -0.517 -6.518 5 1HB MET 1 HB2 MET 1 184.707 0.557 -8.789 6 2HB MET 1 HB1 MET 1 186.139 0.858 -7.816 7 1HG MET 1 HG2 MET 1 186.442 -1.500 -9.462 8 2HG MET 1 HG1 MET 1 186.058 -0.073 -10.422 9 1HE MET 1 HE1 MET 1 190.036 -1.146 -10.103 10 2HE MET 1 HE2 MET 1 188.926 -0.768 -11.421 11 3HE MET 1 HE3 MET 1 188.524 -2.039 -10.268 12 H THR 2 HN THR 2 184.706 -3.420 -6.818 13 HA THR 2 HA THR 2 183.223 -4.061 -9.196 14 HB THR 2 HB THR 2 183.677 -5.696 -6.694 15 HG1 THR 2 HG1 THR 2 185.569 -5.027 -7.943 16 1HG2 THR 2 HG21 THR 2 182.411 -6.327 -9.294 17 2HG2 THR 2 HG22 THR 2 182.063 -6.945 -7.678 18 3HG2 THR 2 HG23 THR 2 183.464 -7.541 -8.569 19 H MET 3 HN MET 3 182.347 -2.485 -6.424 20 HA MET 3 HA MET 3 180.412 -2.227 -5.213 21 1HB MET 3 HB2 MET 3 178.516 -1.592 -6.640 22 2HB MET 3 HB1 MET 3 180.021 -0.862 -7.176 23 1HG MET 3 HG2 MET 3 180.209 -2.465 -8.966 24 2HG MET 3 HG1 MET 3 178.778 -3.318 -8.393 25 1HE MET 3 HE1 MET 3 177.233 -0.019 -7.731 26 2HE MET 3 HE2 MET 3 176.720 -1.707 -7.688 27 3HE MET 3 HE3 MET 3 176.018 -0.601 -8.870 28 H ASN 4 HN ASN 4 180.917 -4.719 -4.735 29 HA ASN 4 HA ASN 4 178.991 -6.582 -5.717 30 1HB ASN 4 HB2 ASN 4 181.359 -6.691 -4.169 31 2HB ASN 4 HB1 ASN 4 180.083 -7.406 -3.190 32 1HD2 ASN 4 HD21 ASN 4 182.456 -8.488 -4.707 33 2HD2 ASN 4 HD22 ASN 4 181.803 -9.784 -5.644 34 H ILE 5 HN ILE 5 177.163 -7.399 -4.735 35 HA ILE 5 HA ILE 5 176.252 -6.090 -2.269 36 HB ILE 5 HB ILE 5 174.168 -6.621 -4.311 37 1HG1 ILE 5 HG12 ILE 5 174.662 -4.120 -5.051 38 2HG1 ILE 5 HG11 ILE 5 176.312 -4.565 -4.628 39 1HG2 ILE 5 HG21 ILE 5 173.626 -4.208 -3.276 40 2HG2 ILE 5 HG22 ILE 5 174.625 -4.869 -1.982 41 3HG2 ILE 5 HG23 ILE 5 173.170 -5.723 -2.496 42 1HD1 ILE 5 HD11 ILE 5 174.731 -5.271 -6.947 43 2HD1 ILE 5 HD12 ILE 5 175.453 -6.679 -6.169 44 3HD1 ILE 5 HD13 ILE 5 176.475 -5.342 -6.699 45 H THR 6 HN THR 6 175.165 -7.397 -0.873 46 HA THR 6 HA THR 6 174.165 -9.975 -1.779 47 HB THR 6 HB THR 6 175.888 -10.107 0.636 48 HG1 THR 6 HG1 THR 6 177.406 -9.172 -0.555 49 1HG2 THR 6 HG21 THR 6 176.550 -12.271 -0.442 50 2HG2 THR 6 HG22 THR 6 175.326 -11.946 -1.668 51 3HG2 THR 6 HG23 THR 6 174.853 -12.137 0.019 52 H SER 7 HN SER 7 172.128 -9.125 -1.217 53 HA SER 7 HA SER 7 171.654 -8.375 1.552 54 1HB SER 7 HB2 SER 7 169.813 -8.494 -0.846 55 2HB SER 7 HB1 SER 7 169.319 -7.963 0.762 56 HG SER 7 HG SER 7 170.537 -6.180 0.568 57 H LYS 8 HN LYS 8 170.123 -9.435 2.903 58 HA LYS 8 HA LYS 8 170.278 -12.279 2.731 59 1HB LYS 8 HB2 LYS 8 170.270 -10.839 4.847 60 2HB LYS 8 HB1 LYS 8 168.526 -10.747 4.644 61 1HG LYS 8 HG2 LYS 8 168.775 -13.378 4.489 62 2HG LYS 8 HG1 LYS 8 170.234 -13.043 5.423 63 1HD LYS 8 HD2 LYS 8 168.457 -11.525 6.761 64 2HD LYS 8 HD1 LYS 8 167.393 -12.810 6.184 65 1HE LYS 8 HE2 LYS 8 169.949 -13.724 7.308 66 2HE LYS 8 HE1 LYS 8 168.875 -12.930 8.459 67 1HZ LYS 8 HZ1 LYS 8 168.517 -15.333 8.353 68 2HZ LYS 8 HZ2 LYS 8 168.115 -15.211 6.715 69 3HZ LYS 8 HZ3 LYS 8 167.135 -14.476 7.883 70 H GLN 9 HN GLN 9 167.284 -10.481 3.388 71 HA GLN 9 HA GLN 9 165.881 -12.367 1.633 72 1HB GLN 9 HB2 GLN 9 164.535 -10.494 3.559 73 2HB GLN 9 HB1 GLN 9 163.937 -12.009 2.900 74 1HG GLN 9 HG2 GLN 9 164.671 -13.093 4.676 75 2HG GLN 9 HG1 GLN 9 166.318 -12.558 4.343 76 1HE2 GLN 9 HE21 GLN 9 165.989 -9.820 4.731 77 2HE2 GLN 9 HE22 GLN 9 165.678 -9.530 6.404 78 H MET 10 HN MET 10 165.618 -8.937 2.577 79 HA MET 10 HA MET 10 164.156 -8.246 0.235 80 1HB MET 10 HB2 MET 10 163.948 -6.999 2.352 81 2HB MET 10 HB1 MET 10 165.611 -6.446 2.188 82 1HG MET 10 HG2 MET 10 164.852 -4.698 1.096 83 2HG MET 10 HG1 MET 10 164.383 -5.773 -0.216 84 1HE MET 10 HE1 MET 10 161.758 -3.585 2.750 85 2HE MET 10 HE2 MET 10 162.838 -2.833 1.575 86 3HE MET 10 HE3 MET 10 163.497 -3.850 2.856 87 H GLU 11 HN GLU 11 165.078 -8.391 -1.706 88 HA GLU 11 HA GLU 11 167.806 -8.263 -2.266 89 1HB GLU 11 HB2 GLU 11 165.356 -8.502 -3.748 90 2HB GLU 11 HB1 GLU 11 166.423 -7.373 -4.570 91 1HG GLU 11 HG2 GLU 11 166.677 -9.694 -5.345 92 2HG GLU 11 HG1 GLU 11 168.166 -9.016 -4.688 93 H ILE 12 HN ILE 12 168.159 -6.473 -4.343 94 HA ILE 12 HA ILE 12 168.298 -3.955 -2.855 95 HB ILE 12 HB ILE 12 169.636 -3.944 -5.445 96 1HG1 ILE 12 HG12 ILE 12 169.970 -6.322 -5.032 97 2HG1 ILE 12 HG11 ILE 12 171.483 -5.456 -4.792 98 1HG2 ILE 12 HG21 ILE 12 171.570 -3.355 -3.836 99 2HG2 ILE 12 HG22 ILE 12 170.310 -3.312 -2.603 100 3HG2 ILE 12 HG23 ILE 12 170.216 -2.237 -3.999 101 1HD1 ILE 12 HD11 ILE 12 169.798 -6.900 -2.850 102 2HD1 ILE 12 HD12 ILE 12 170.602 -5.438 -2.280 103 3HD1 ILE 12 HD13 ILE 12 171.552 -6.760 -2.957 104 H THR 13 HN THR 13 166.591 -2.686 -3.168 105 HA THR 13 HA THR 13 164.989 -2.758 -5.525 106 HB THR 13 HB THR 13 163.664 -1.069 -4.492 107 HG1 THR 13 HG1 THR 13 164.409 0.276 -2.950 108 1HG2 THR 13 HG21 THR 13 164.161 -1.920 -1.884 109 2HG2 THR 13 HG22 THR 13 164.545 -3.297 -2.919 110 3HG2 THR 13 HG23 THR 13 162.953 -2.542 -3.010 111 HA PRO 14 HA PRO 14 166.891 0.074 -8.299 112 1HB PRO 14 HB2 PRO 14 164.747 1.797 -8.796 113 2HB PRO 14 HB1 PRO 14 165.092 0.301 -9.666 114 1HG PRO 14 HG2 PRO 14 163.180 0.799 -7.429 115 2HG PRO 14 HG1 PRO 14 163.008 -0.257 -8.843 116 1HD PRO 14 HD2 PRO 14 163.556 -1.263 -6.429 117 2HD PRO 14 HD1 PRO 14 164.296 -1.944 -7.893 118 H ALA 15 HN ALA 15 164.934 1.453 -5.709 119 HA ALA 15 HA ALA 15 166.109 4.043 -5.805 120 1HB ALA 15 HB1 ALA 15 163.948 2.876 -4.507 121 2HB ALA 15 HB2 ALA 15 164.489 4.548 -4.363 122 3HB ALA 15 HB3 ALA 15 165.047 3.339 -3.207 123 H ILE 16 HN ILE 16 166.578 1.238 -3.669 124 HA ILE 16 HA ILE 16 168.579 2.400 -2.069 125 HB ILE 16 HB ILE 16 168.162 -0.534 -2.660 126 1HG1 ILE 16 HG12 ILE 16 167.131 0.974 -0.269 127 2HG1 ILE 16 HG11 ILE 16 166.192 0.871 -1.755 128 1HG2 ILE 16 HG21 ILE 16 170.341 0.302 -1.536 129 2HG2 ILE 16 HG22 ILE 16 169.459 -1.034 -0.801 130 3HG2 ILE 16 HG23 ILE 16 169.311 0.592 -0.135 131 1HD1 ILE 16 HD11 ILE 16 165.332 -0.903 -0.639 132 2HD1 ILE 16 HD12 ILE 16 166.824 -1.215 0.246 133 3HD1 ILE 16 HD13 ILE 16 166.679 -1.709 -1.441 134 H ARG 17 HN ARG 17 168.762 0.500 -5.054 135 HA ARG 17 HA ARG 17 171.591 0.267 -5.031 136 1HB ARG 17 HB2 ARG 17 171.411 -0.696 -7.163 137 2HB ARG 17 HB1 ARG 17 169.925 -1.152 -6.348 138 1HG ARG 17 HG2 ARG 17 168.757 -0.311 -8.019 139 2HG ARG 17 HG1 ARG 17 169.423 1.286 -7.687 140 1HD ARG 17 HD2 ARG 17 170.337 -0.783 -9.648 141 2HD ARG 17 HD1 ARG 17 169.989 0.923 -9.912 142 HE ARG 17 HE ARG 17 172.122 0.955 -8.233 143 1HH1 ARG 17 HH11 ARG 17 171.491 -0.568 -11.307 144 2HH1 ARG 17 HH12 ARG 17 173.149 -0.526 -11.808 145 1HH2 ARG 17 HH21 ARG 17 174.300 1.010 -8.888 146 2HH2 ARG 17 HH22 ARG 17 174.744 0.369 -10.436 147 H GLN 18 HN GLN 18 169.374 2.708 -6.171 148 HA GLN 18 HA GLN 18 171.319 4.122 -7.738 149 1HB GLN 18 HB2 GLN 18 168.522 4.676 -6.819 150 2HB GLN 18 HB1 GLN 18 169.496 5.988 -7.473 151 1HG GLN 18 HG2 GLN 18 169.362 3.485 -9.047 152 2HG GLN 18 HG1 GLN 18 167.910 4.482 -8.978 153 1HE2 GLN 18 HE21 GLN 18 168.769 6.985 -9.047 154 2HE2 GLN 18 HE22 GLN 18 169.675 7.310 -10.481 155 H HIS 19 HN HIS 19 170.036 4.339 -4.473 156 HA HIS 19 HA HIS 19 171.194 6.801 -3.752 157 1HB HIS 19 HB2 HIS 19 169.675 4.748 -2.498 158 2HB HIS 19 HB1 HIS 19 171.078 5.057 -1.486 159 HD1 HIS 19 HD1 HIS 19 171.111 7.237 -0.170 160 HD2 HIS 19 HD2 HIS 19 167.923 6.956 -2.805 161 HE1 HIS 19 HE1 HIS 19 169.562 9.121 0.448 162 HE2 HIS 19 HE2 HIS 19 167.696 8.999 -1.238 163 H VAL 20 HN VAL 20 172.244 3.543 -2.747 164 HA VAL 20 HA VAL 20 174.723 4.297 -1.742 165 HB VAL 20 HB VAL 20 173.324 1.900 -2.022 166 1HG1 VAL 20 HG11 VAL 20 176.044 1.577 -3.279 167 2HG1 VAL 20 HG12 VAL 20 174.509 1.474 -4.141 168 3HG1 VAL 20 HG13 VAL 20 174.901 0.291 -2.894 169 1HG2 VAL 20 HG21 VAL 20 175.433 1.048 -0.710 170 2HG2 VAL 20 HG22 VAL 20 174.337 2.233 0.001 171 3HG2 VAL 20 HG23 VAL 20 175.858 2.761 -0.720 172 H ALA 21 HN ALA 21 173.800 3.369 -5.024 173 HA ALA 21 HA ALA 21 176.339 3.146 -6.154 174 1HB ALA 21 HB1 ALA 21 175.185 3.755 -8.305 175 2HB ALA 21 HB2 ALA 21 173.720 4.015 -7.358 176 3HB ALA 21 HB3 ALA 21 174.462 2.416 -7.412 177 H ASP 22 HN ASP 22 174.363 5.981 -5.494 178 HA ASP 22 HA ASP 22 176.000 7.824 -6.918 179 1HB ASP 22 HB2 ASP 22 174.037 8.308 -4.667 180 2HB ASP 22 HB1 ASP 22 174.743 9.557 -5.688 181 H ARG 23 HN ARG 23 175.924 6.649 -3.600 182 HA ARG 23 HA ARG 23 177.928 8.522 -2.709 183 1HB ARG 23 HB2 ARG 23 177.685 6.167 -1.014 184 2HB ARG 23 HB1 ARG 23 177.425 7.856 -0.625 185 1HG ARG 23 HG2 ARG 23 175.318 6.391 -2.134 186 2HG ARG 23 HG1 ARG 23 175.506 6.096 -0.411 187 1HD ARG 23 HD2 ARG 23 173.901 7.806 -0.594 188 2HD ARG 23 HD1 ARG 23 175.393 8.600 -0.097 189 HE ARG 23 HE ARG 23 174.104 8.778 -2.716 190 1HH1 ARG 23 HH11 ARG 23 176.735 9.715 -0.612 191 2HH1 ARG 23 HH12 ARG 23 177.191 11.069 -1.586 192 1HH2 ARG 23 HH21 ARG 23 174.708 10.560 -3.989 193 2HH2 ARG 23 HH22 ARG 23 176.045 11.549 -3.501 194 H LEU 24 HN LEU 24 177.861 5.009 -3.252 195 HA LEU 24 HA LEU 24 180.485 4.392 -2.729 196 1HB LEU 24 HB2 LEU 24 178.581 2.834 -3.341 197 2HB LEU 24 HB1 LEU 24 178.931 3.201 -5.019 198 HG LEU 24 HG LEU 24 181.148 2.239 -4.816 199 1HD1 LEU 24 HD11 LEU 24 181.351 0.895 -2.492 200 2HD1 LEU 24 HD12 LEU 24 180.501 2.340 -1.946 201 3HD1 LEU 24 HD13 LEU 24 182.053 2.489 -2.770 202 1HD2 LEU 24 HD21 LEU 24 180.502 -0.111 -4.311 203 2HD2 LEU 24 HD22 LEU 24 179.401 0.709 -5.418 204 3HD2 LEU 24 HD23 LEU 24 178.950 0.488 -3.729 205 H ALA 25 HN ALA 25 179.137 5.445 -5.853 206 HA ALA 25 HA ALA 25 181.608 5.391 -7.233 207 1HB ALA 25 HB1 ALA 25 180.402 5.967 -9.037 208 2HB ALA 25 HB2 ALA 25 179.597 7.299 -8.205 209 3HB ALA 25 HB3 ALA 25 179.020 5.646 -7.991 210 H LYS 26 HN LYS 26 179.745 8.102 -5.857 211 HA LYS 26 HA LYS 26 181.607 10.104 -6.497 212 1HB LYS 26 HB2 LYS 26 179.393 9.904 -4.478 213 2HB LYS 26 HB1 LYS 26 180.442 11.315 -4.519 214 1HG LYS 26 HG2 LYS 26 179.262 10.489 -7.095 215 2HG LYS 26 HG1 LYS 26 178.152 11.139 -5.887 216 1HD LYS 26 HD2 LYS 26 178.871 12.990 -7.168 217 2HD LYS 26 HD1 LYS 26 179.765 13.079 -5.648 218 1HE LYS 26 HE2 LYS 26 181.759 12.492 -6.630 219 2HE LYS 26 HE1 LYS 26 180.976 11.625 -7.950 220 1HZ LYS 26 HZ1 LYS 26 181.770 13.528 -8.961 221 2HZ LYS 26 HZ2 LYS 26 181.408 14.525 -7.643 222 3HZ LYS 26 HZ3 LYS 26 180.164 13.950 -8.634 223 H LEU 27 HN LEU 27 181.575 7.744 -3.966 224 HA LEU 27 HA LEU 27 183.130 9.002 -2.025 225 1HB LEU 27 HB2 LEU 27 181.972 6.587 -2.210 226 2HB LEU 27 HB1 LEU 27 183.633 6.125 -2.528 227 HG LEU 27 HG LEU 27 183.066 7.827 -0.144 228 1HD1 LEU 27 HD11 LEU 27 182.328 4.944 -0.458 229 2HD1 LEU 27 HD12 LEU 27 181.420 6.255 0.296 230 3HD1 LEU 27 HD13 LEU 27 182.834 5.584 1.106 231 1HD2 LEU 27 HD21 LEU 27 185.267 7.469 -0.013 232 2HD2 LEU 27 HD22 LEU 27 185.212 6.155 -1.188 233 3HD2 LEU 27 HD23 LEU 27 184.845 5.837 0.508 234 H GLU 28 HN GLU 28 184.008 7.840 -5.148 235 HA GLU 28 HA GLU 28 186.692 7.232 -4.837 236 1HB GLU 28 HB2 GLU 28 186.523 6.932 -7.041 237 2HB GLU 28 HB1 GLU 28 184.914 7.633 -6.983 238 1HG GLU 28 HG2 GLU 28 185.910 9.862 -7.344 239 2HG GLU 28 HG1 GLU 28 187.494 9.102 -7.487 240 H LYS 29 HN LYS 29 185.114 10.314 -4.704 241 HA LYS 29 HA LYS 29 187.386 11.938 -5.204 242 1HB LYS 29 HB2 LYS 29 185.183 12.878 -5.434 243 2HB LYS 29 HB1 LYS 29 184.793 12.501 -3.763 244 1HG LYS 29 HG2 LYS 29 185.242 14.863 -4.021 245 2HG LYS 29 HG1 LYS 29 186.477 14.111 -3.010 246 1HD LYS 29 HD2 LYS 29 187.676 13.859 -5.382 247 2HD LYS 29 HD1 LYS 29 186.691 15.282 -5.724 248 1HE LYS 29 HE2 LYS 29 188.527 15.021 -3.350 249 2HE LYS 29 HE1 LYS 29 188.980 15.791 -4.868 250 1HZ LYS 29 HZ1 LYS 29 186.635 16.997 -4.205 251 2HZ LYS 29 HZ2 LYS 29 188.180 17.642 -3.959 252 3HZ LYS 29 HZ3 LYS 29 187.402 16.813 -2.707 253 H TRP 30 HN TRP 30 186.580 9.963 -2.587 254 HA TRP 30 HA TRP 30 188.013 11.549 -0.609 255 1HB TRP 30 HB2 TRP 30 186.401 9.019 -0.526 256 2HB TRP 30 HB1 TRP 30 187.480 9.422 0.804 257 HD1 TRP 30 HD1 TRP 30 184.096 10.223 -0.621 258 HE1 TRP 30 HE1 TRP 30 182.908 11.932 0.895 259 HE3 TRP 30 HE3 TRP 30 188.032 11.531 2.366 260 HZ2 TRP 30 HZ2 TRP 30 183.556 13.609 3.073 261 HZ3 TRP 30 HZ3 TRP 30 187.665 13.193 4.142 262 HH2 TRP 30 HH2 TRP 30 185.473 14.208 4.487 263 H GLN 31 HN GLN 31 189.569 10.681 -2.827 264 HA GLN 31 HA GLN 31 191.475 9.566 -3.392 265 1HB GLN 31 HB2 GLN 31 191.825 10.800 -0.933 266 2HB GLN 31 HB1 GLN 31 192.445 9.176 -0.670 267 1HG GLN 31 HG2 GLN 31 193.380 10.266 -3.176 268 2HG GLN 31 HG1 GLN 31 193.781 11.319 -1.820 269 1HE2 GLN 31 HE21 GLN 31 194.435 9.827 0.189 270 2HE2 GLN 31 HE22 GLN 31 195.709 8.718 -0.177 271 H THR 32 HN THR 32 189.049 7.941 -2.291 272 HA THR 32 HA THR 32 190.511 5.442 -1.779 273 HB THR 32 HB THR 32 187.579 5.748 -1.248 274 HG1 THR 32 HG1 THR 32 188.113 7.361 0.013 275 1HG2 THR 32 HG21 THR 32 187.836 4.071 0.317 276 2HG2 THR 32 HG22 THR 32 189.571 4.347 0.476 277 3HG2 THR 32 HG23 THR 32 188.930 3.576 -0.975 278 H HIS 33 HN HIS 33 189.714 3.498 -2.792 279 HA HIS 33 HA HIS 33 188.033 3.959 -5.156 280 1HB HIS 33 HB2 HIS 33 189.637 2.265 -6.319 281 2HB HIS 33 HB1 HIS 33 190.095 3.961 -6.211 282 HD1 HIS 33 HD1 HIS 33 191.600 0.838 -5.925 283 HD2 HIS 33 HD2 HIS 33 191.678 4.238 -3.538 284 HE1 HIS 33 HE1 HIS 33 193.689 0.640 -4.539 285 HE2 HIS 33 HE2 HIS 33 193.759 2.749 -3.163 286 H LEU 34 HN LEU 34 188.226 2.346 -2.370 287 HA LEU 34 HA LEU 34 187.821 0.125 -1.704 288 1HB LEU 34 HB2 LEU 34 185.172 -0.021 -2.543 289 2HB LEU 34 HB1 LEU 34 185.771 0.614 -1.026 290 HG LEU 34 HG LEU 34 184.200 2.150 -2.090 291 1HD1 LEU 34 HD11 LEU 34 186.536 2.809 -0.909 292 2HD1 LEU 34 HD12 LEU 34 185.307 3.975 -1.401 293 3HD1 LEU 34 HD13 LEU 34 186.693 3.661 -2.445 294 1HD2 LEU 34 HD21 LEU 34 184.190 2.551 -4.268 295 2HD2 LEU 34 HD22 LEU 34 185.536 1.428 -4.450 296 3HD2 LEU 34 HD23 LEU 34 185.850 3.146 -4.209 297 H ILE 35 HN ILE 35 188.834 -1.499 -2.724 298 HA ILE 35 HA ILE 35 188.337 -2.249 -5.421 299 HB ILE 35 HB ILE 35 189.379 -4.450 -3.825 300 1HG1 ILE 35 HG12 ILE 35 190.176 -2.670 -2.337 301 2HG1 ILE 35 HG11 ILE 35 191.513 -3.409 -3.209 302 1HG2 ILE 35 HG21 ILE 35 190.800 -4.695 -5.582 303 2HG2 ILE 35 HG22 ILE 35 191.003 -2.958 -5.808 304 3HG2 ILE 35 HG23 ILE 35 189.532 -3.753 -6.367 305 1HD1 ILE 35 HD11 ILE 35 191.974 -1.526 -4.376 306 2HD1 ILE 35 HD12 ILE 35 191.255 -0.786 -2.946 307 3HD1 ILE 35 HD13 ILE 35 190.291 -0.998 -4.408 308 H ASN 36 HN ASN 36 187.600 -3.984 -2.398 309 HA ASN 36 HA ASN 36 185.473 -5.419 -3.829 310 1HB ASN 36 HB2 ASN 36 186.822 -6.121 -1.214 311 2HB ASN 36 HB1 ASN 36 185.653 -7.114 -2.079 312 1HD2 ASN 36 HD21 ASN 36 188.505 -7.515 -1.287 313 2HD2 ASN 36 HD22 ASN 36 189.301 -7.983 -2.745 314 HA PRO 37 HA PRO 37 183.277 -2.540 -0.870 315 1HB PRO 37 HB2 PRO 37 181.597 -1.422 -2.642 316 2HB PRO 37 HB1 PRO 37 183.252 -0.834 -2.439 317 1HG PRO 37 HG2 PRO 37 182.156 -2.706 -4.507 318 2HG PRO 37 HG1 PRO 37 183.211 -1.297 -4.733 319 1HD PRO 37 HD2 PRO 37 184.170 -3.824 -4.665 320 2HD PRO 37 HD1 PRO 37 185.091 -2.441 -4.040 321 H HIS 38 HN HIS 38 182.322 -4.350 0.116 322 HA HIS 38 HA HIS 38 180.173 -5.740 -1.252 323 1HB HIS 38 HB2 HIS 38 181.941 -6.331 0.910 324 2HB HIS 38 HB1 HIS 38 180.289 -6.459 1.504 325 HD1 HIS 38 HD1 HIS 38 182.561 -8.741 0.674 326 HD2 HIS 38 HD2 HIS 38 178.932 -7.849 -1.141 327 HE1 HIS 38 HE1 HIS 38 181.909 -10.820 -0.582 328 HE2 HIS 38 HE2 HIS 38 179.751 -10.227 -1.739 329 H ILE 39 HN ILE 39 178.020 -5.575 -0.796 330 HA ILE 39 HA ILE 39 177.207 -3.651 1.272 331 HB ILE 39 HB ILE 39 176.185 -3.732 -1.570 332 1HG1 ILE 39 HG12 ILE 39 176.824 -1.180 -1.167 333 2HG1 ILE 39 HG11 ILE 39 177.924 -1.895 0.008 334 1HG2 ILE 39 HG21 ILE 39 174.967 -2.708 0.906 335 2HG2 ILE 39 HG22 ILE 39 174.217 -3.190 -0.616 336 3HG2 ILE 39 HG23 ILE 39 174.954 -1.595 -0.463 337 1HD1 ILE 39 HD11 ILE 39 178.891 -3.279 -1.765 338 2HD1 ILE 39 HD12 ILE 39 179.035 -1.555 -2.108 339 3HD1 ILE 39 HD13 ILE 39 177.810 -2.519 -2.933 340 H ILE 40 HN ILE 40 176.000 -4.704 2.684 341 HA ILE 40 HA ILE 40 174.203 -6.826 1.712 342 HB ILE 40 HB ILE 40 175.190 -6.539 4.545 343 1HG1 ILE 40 HG12 ILE 40 176.324 -8.322 2.379 344 2HG1 ILE 40 HG11 ILE 40 177.100 -6.863 2.988 345 1HG2 ILE 40 HG21 ILE 40 174.465 -9.170 3.492 346 2HG2 ILE 40 HG22 ILE 40 173.134 -8.014 3.530 347 3HG2 ILE 40 HG23 ILE 40 174.017 -8.390 5.009 348 1HD1 ILE 40 HD11 ILE 40 176.385 -8.752 5.086 349 2HD1 ILE 40 HD12 ILE 40 177.906 -7.915 4.775 350 3HD1 ILE 40 HD13 ILE 40 177.522 -9.400 3.905 351 H LEU 41 HN LEU 41 172.318 -5.717 1.369 352 HA LEU 41 HA LEU 41 171.280 -4.119 3.615 353 1HB LEU 41 HB2 LEU 41 171.327 -2.678 1.810 354 2HB LEU 41 HB1 LEU 41 170.977 -3.943 0.653 355 HG LEU 41 HG LEU 41 168.693 -3.636 2.343 356 1HD1 LEU 41 HD11 LEU 41 168.100 -1.310 1.762 357 2HD1 LEU 41 HD12 LEU 41 169.748 -1.065 1.184 358 3HD1 LEU 41 HD13 LEU 41 169.454 -1.421 2.885 359 1HD2 LEU 41 HD21 LEU 41 169.246 -3.024 -0.556 360 2HD2 LEU 41 HD22 LEU 41 167.639 -3.019 0.172 361 3HD2 LEU 41 HD23 LEU 41 168.578 -4.512 0.115 362 H SER 42 HN SER 42 170.213 -5.567 4.853 363 HA SER 42 HA SER 42 168.181 -7.246 3.532 364 1HB SER 42 HB2 SER 42 169.482 -7.704 6.222 365 2HB SER 42 HB1 SER 42 168.389 -8.795 5.373 366 HG SER 42 HG SER 42 170.957 -8.821 5.217 367 H LYS 43 HN LYS 43 166.097 -6.999 4.077 368 HA LYS 43 HA LYS 43 165.325 -4.809 5.751 369 1HB LYS 43 HB2 LYS 43 164.085 -5.533 3.703 370 2HB LYS 43 HB1 LYS 43 163.572 -6.970 4.573 371 1HG LYS 43 HG2 LYS 43 162.813 -5.017 6.295 372 2HG LYS 43 HG1 LYS 43 162.600 -4.213 4.739 373 1HD LYS 43 HD2 LYS 43 160.614 -5.242 4.659 374 2HD LYS 43 HD1 LYS 43 161.529 -6.707 4.294 375 1HE LYS 43 HE2 LYS 43 160.609 -5.770 7.008 376 2HE LYS 43 HE1 LYS 43 159.989 -7.147 6.099 377 1HZ LYS 43 HZ1 LYS 43 161.464 -8.327 7.252 378 2HZ LYS 43 HZ2 LYS 43 162.316 -6.959 7.767 379 3HZ LYS 43 HZ3 LYS 43 162.651 -7.644 6.258 380 H GLU 44 HN GLU 44 165.439 -4.937 7.899 381 HA GLU 44 HA GLU 44 164.825 -7.504 9.187 382 1HB GLU 44 HB2 GLU 44 166.800 -5.458 9.670 383 2HB GLU 44 HB1 GLU 44 165.835 -5.724 11.114 384 1HG GLU 44 HG2 GLU 44 167.856 -7.115 11.045 385 2HG GLU 44 HG1 GLU 44 166.373 -8.066 11.108 386 HA PRO 45 HA PRO 45 160.894 -6.435 10.838 387 1HB PRO 45 HB2 PRO 45 161.768 -6.881 13.560 388 2HB PRO 45 HB1 PRO 45 160.706 -7.871 12.571 389 1HG PRO 45 HG2 PRO 45 163.555 -8.196 13.136 390 2HG PRO 45 HG1 PRO 45 162.401 -9.372 12.487 391 1HD PRO 45 HD2 PRO 45 164.398 -8.276 11.007 392 2HD PRO 45 HD1 PRO 45 162.847 -8.786 10.309 393 H GLN 46 HN GLN 46 163.532 -5.411 12.999 394 HA GLN 46 HA GLN 46 162.085 -2.922 13.512 395 1HB GLN 46 HB2 GLN 46 163.190 -4.654 15.241 396 2HB GLN 46 HB1 GLN 46 164.554 -3.566 15.009 397 1HG GLN 46 HG2 GLN 46 163.647 -2.029 16.318 398 2HG GLN 46 HG1 GLN 46 162.127 -2.078 15.426 399 1HE2 GLN 46 HE21 GLN 46 161.307 -4.645 15.881 400 2HE2 GLN 46 HE22 GLN 46 160.973 -4.865 17.563 401 H GLY 47 HN GLY 47 163.158 -2.846 11.020 402 1HA GLY 47 HA2 GLY 47 164.213 -0.762 10.233 403 2HA GLY 47 HA1 GLY 47 165.484 -1.063 11.400 404 H PHE 48 HN PHE 48 166.025 -0.531 8.768 405 HA PHE 48 HA PHE 48 166.545 -2.992 7.338 406 1HB PHE 48 HB2 PHE 48 166.319 -0.263 6.646 407 2HB PHE 48 HB1 PHE 48 167.987 -0.709 6.311 408 HD1 PHE 48 HD1 PHE 48 165.618 0.076 4.428 409 HD2 PHE 48 HD2 PHE 48 167.395 -3.610 5.569 410 HE1 PHE 48 HE1 PHE 48 164.919 -0.919 2.290 411 HE2 PHE 48 HE2 PHE 48 166.699 -4.615 3.433 412 HZ PHE 48 HZ PHE 48 165.460 -3.259 1.792 413 H VAL 49 HN VAL 49 168.508 -3.993 7.135 414 HA VAL 49 HA VAL 49 170.673 -2.995 8.863 415 HB VAL 49 HB VAL 49 170.291 -5.821 7.861 416 1HG1 VAL 49 HG11 VAL 49 171.846 -6.178 9.923 417 2HG1 VAL 49 HG12 VAL 49 172.250 -4.477 9.676 418 3HG1 VAL 49 HG13 VAL 49 172.531 -5.646 8.387 419 1HG2 VAL 49 HG21 VAL 49 169.897 -5.802 10.608 420 2HG2 VAL 49 HG22 VAL 49 168.661 -6.000 9.367 421 3HG2 VAL 49 HG23 VAL 49 168.994 -4.401 10.030 422 H ALA 50 HN ALA 50 171.652 -1.641 7.340 423 HA ALA 50 HA ALA 50 172.560 -2.838 4.833 424 1HB ALA 50 HB1 ALA 50 173.167 -0.578 4.174 425 2HB ALA 50 HB2 ALA 50 172.768 0.015 5.785 426 3HB ALA 50 HB3 ALA 50 171.499 -0.631 4.745 427 H ASP 51 HN ASP 51 174.188 -4.217 5.584 428 HA ASP 51 HA ASP 51 176.468 -2.974 6.945 429 1HB ASP 51 HB2 ASP 51 175.383 -5.720 6.767 430 2HB ASP 51 HB1 ASP 51 177.139 -5.599 6.775 431 H ALA 52 HN ALA 52 177.286 -1.829 5.150 432 HA ALA 52 HA ALA 52 178.233 -3.446 2.895 433 1HB ALA 52 HB1 ALA 52 177.476 -0.611 3.231 434 2HB ALA 52 HB2 ALA 52 177.208 -1.707 1.876 435 3HB ALA 52 HB3 ALA 52 178.787 -0.955 2.104 436 H THR 53 HN THR 53 180.213 -4.242 3.161 437 HA THR 53 HA THR 53 182.209 -2.711 4.651 438 HB THR 53 HB THR 53 183.445 -5.052 3.944 439 HG1 THR 53 HG1 THR 53 181.861 -6.673 4.309 440 1HG2 THR 53 HG21 THR 53 181.704 -4.571 6.348 441 2HG2 THR 53 HG22 THR 53 183.428 -4.237 6.200 442 3HG2 THR 53 HG23 THR 53 182.847 -5.902 6.177 443 H ILE 54 HN ILE 54 183.533 -1.427 3.571 444 HA ILE 54 HA ILE 54 184.146 -2.061 0.757 445 HB ILE 54 HB ILE 54 184.923 0.479 0.880 446 1HG1 ILE 54 HG12 ILE 54 184.010 0.355 3.383 447 2HG1 ILE 54 HG11 ILE 54 183.921 1.823 2.425 448 1HG2 ILE 54 HG21 ILE 54 182.357 0.956 0.291 449 2HG2 ILE 54 HG22 ILE 54 182.353 -0.806 0.208 450 3HG2 ILE 54 HG23 ILE 54 183.462 0.122 -0.799 451 1HD1 ILE 54 HD11 ILE 54 181.614 -0.056 2.355 452 2HD1 ILE 54 HD12 ILE 54 181.653 1.698 2.196 453 3HD1 ILE 54 HD13 ILE 54 181.857 0.953 3.780 454 H ASN 55 HN ASN 55 186.091 -2.837 0.426 455 HA ASN 55 HA ASN 55 188.177 -2.626 2.383 456 1HB ASN 55 HB2 ASN 55 187.681 -4.586 0.755 457 2HB ASN 55 HB1 ASN 55 188.585 -3.633 -0.419 458 1HD2 ASN 55 HD21 ASN 55 190.749 -2.862 0.368 459 2HD2 ASN 55 HD22 ASN 55 191.693 -3.987 1.278 460 H THR 56 HN THR 56 188.831 -0.525 2.592 461 HA THR 56 HA THR 56 189.658 0.958 0.221 462 HB THR 56 HB THR 56 189.875 2.866 1.711 463 HG1 THR 56 HG1 THR 56 189.123 1.179 3.846 464 1HG2 THR 56 HG21 THR 56 187.574 2.165 0.957 465 2HG2 THR 56 HG22 THR 56 187.652 3.195 2.386 466 3HG2 THR 56 HG23 THR 56 187.367 1.464 2.561 467 HA PRO 57 HA PRO 57 193.991 0.252 0.489 468 1HB PRO 57 HB2 PRO 57 194.976 2.846 0.422 469 2HB PRO 57 HB1 PRO 57 194.524 1.890 -0.992 470 1HG PRO 57 HG2 PRO 57 192.965 3.982 0.462 471 2HG PRO 57 HG1 PRO 57 193.079 3.675 -1.282 472 1HD PRO 57 HD2 PRO 57 190.935 2.908 0.120 473 2HD PRO 57 HD1 PRO 57 191.581 1.901 -1.194 474 H ASN 58 HN ASN 58 192.451 2.339 2.797 475 HA ASN 58 HA ASN 58 194.777 2.247 4.570 476 1HB ASN 58 HB2 ASN 58 193.555 3.870 5.950 477 2HB ASN 58 HB1 ASN 58 193.700 4.428 4.287 478 1HD2 ASN 58 HD21 ASN 58 191.949 5.549 3.835 479 2HD2 ASN 58 HD22 ASN 58 190.323 5.066 4.155 480 H GLY 59 HN GLY 59 191.583 0.930 4.179 481 1HA GLY 59 HA2 GLY 59 191.802 -1.295 5.670 482 2HA GLY 59 HA1 GLY 59 191.455 -0.083 6.893 483 H VAL 60 HN VAL 60 189.980 -2.456 5.516 484 HA VAL 60 HA VAL 60 187.790 -1.674 4.091 485 HB VAL 60 HB VAL 60 187.812 -3.721 6.313 486 1HG1 VAL 60 HG11 VAL 60 185.800 -3.026 4.225 487 2HG1 VAL 60 HG12 VAL 60 185.561 -3.478 5.913 488 3HG1 VAL 60 HG13 VAL 60 185.982 -4.708 4.721 489 1HG2 VAL 60 HG21 VAL 60 187.999 -4.377 3.409 490 2HG2 VAL 60 HG22 VAL 60 188.575 -5.285 4.807 491 3HG2 VAL 60 HG23 VAL 60 189.444 -3.848 4.270 492 H LEU 61 HN LEU 61 186.252 -0.201 4.410 493 HA LEU 61 HA LEU 61 185.723 0.751 7.118 494 1HB LEU 61 HB2 LEU 61 184.771 1.773 4.442 495 2HB LEU 61 HB1 LEU 61 184.407 2.520 5.984 496 HG LEU 61 HG LEU 61 187.111 2.292 4.667 497 1HD1 LEU 61 HD11 LEU 61 185.358 4.639 5.374 498 2HD1 LEU 61 HD12 LEU 61 185.746 4.055 3.756 499 3HD1 LEU 61 HD13 LEU 61 187.009 4.757 4.766 500 1HD2 LEU 61 HD21 LEU 61 187.598 3.857 6.765 501 2HD2 LEU 61 HD22 LEU 61 187.799 2.106 6.824 502 3HD2 LEU 61 HD23 LEU 61 186.338 2.846 7.474 503 H VAL 62 HN VAL 62 183.969 0.229 8.254 504 HA VAL 62 HA VAL 62 182.011 -1.540 7.018 505 HB VAL 62 HB VAL 62 182.516 -0.828 9.907 506 1HG1 VAL 62 HG11 VAL 62 180.233 -1.262 9.915 507 2HG1 VAL 62 HG12 VAL 62 180.932 -2.842 10.258 508 3HG1 VAL 62 HG13 VAL 62 180.356 -2.469 8.635 509 1HG2 VAL 62 HG21 VAL 62 183.131 -3.263 10.007 510 2HG2 VAL 62 HG22 VAL 62 184.225 -2.250 9.065 511 3HG2 VAL 62 HG23 VAL 62 183.051 -3.282 8.244 512 H ALA 63 HN ALA 63 180.434 -0.466 5.991 513 HA ALA 63 HA ALA 63 179.302 1.954 7.165 514 1HB ALA 63 HB1 ALA 63 178.473 2.467 5.087 515 2HB ALA 63 HB2 ALA 63 178.317 0.777 4.609 516 3HB ALA 63 HB3 ALA 63 179.906 1.540 4.650 517 H SER 64 HN SER 64 178.256 0.940 8.963 518 HA SER 64 HA SER 64 176.015 -0.829 8.290 519 1HB SER 64 HB2 SER 64 176.932 -0.197 11.085 520 2HB SER 64 HB1 SER 64 176.046 -1.609 10.508 521 HG SER 64 HG SER 64 177.862 -2.503 9.862 522 H GLY 65 HN GLY 65 174.219 0.270 7.831 523 1HA GLY 65 HA2 GLY 65 173.489 2.514 9.611 524 2HA GLY 65 HA1 GLY 65 173.092 2.475 7.900 525 H LYS 66 HN LYS 66 171.854 2.045 10.913 526 HA LYS 66 HA LYS 66 169.897 0.034 10.052 527 1HB LYS 66 HB2 LYS 66 169.264 0.065 12.526 528 2HB LYS 66 HB1 LYS 66 170.826 -0.629 12.111 529 1HG LYS 66 HG2 LYS 66 171.991 1.262 12.895 530 2HG LYS 66 HG1 LYS 66 170.515 2.226 12.985 531 1HD LYS 66 HD2 LYS 66 169.729 1.036 14.860 532 2HD LYS 66 HD1 LYS 66 170.898 -0.264 14.625 533 1HE LYS 66 HE2 LYS 66 172.276 2.231 14.924 534 2HE LYS 66 HE1 LYS 66 171.143 2.016 16.259 535 1HZ LYS 66 HZ1 LYS 66 172.133 -0.094 16.764 536 2HZ LYS 66 HZ2 LYS 66 173.357 1.072 16.699 537 3HZ LYS 66 HZ3 LYS 66 173.147 -0.006 15.412 538 H HIS 67 HN HIS 67 167.919 0.664 9.463 539 HA HIS 67 HA HIS 67 166.405 2.623 10.805 540 1HB HIS 67 HB2 HIS 67 168.297 3.837 9.240 541 2HB HIS 67 HB1 HIS 67 166.913 3.787 8.154 542 HD1 HIS 67 HD1 HIS 67 168.364 5.766 10.787 543 HD2 HIS 67 HD2 HIS 67 164.512 4.996 9.432 544 HE1 HIS 67 HE1 HIS 67 166.941 7.617 11.722 545 HE2 HIS 67 HE2 HIS 67 164.631 7.180 10.812 546 H GLU 68 HN GLU 68 164.341 2.137 10.437 547 HA GLU 68 HA GLU 68 163.395 0.132 8.868 548 1HB GLU 68 HB2 GLU 68 162.246 1.908 10.565 549 2HB GLU 68 HB1 GLU 68 161.562 2.438 9.033 550 1HG GLU 68 HG2 GLU 68 160.790 0.125 8.626 551 2HG GLU 68 HG1 GLU 68 161.388 -0.321 10.223 552 H ASP 69 HN ASP 69 163.487 3.561 7.921 553 HA ASP 69 HA ASP 69 162.508 3.052 5.289 554 1HB ASP 69 HB2 ASP 69 162.431 5.264 6.599 555 2HB ASP 69 HB1 ASP 69 164.105 5.472 6.101 556 H MET 70 HN MET 70 163.616 2.749 3.395 557 HA MET 70 HA MET 70 166.259 1.722 3.612 558 1HB MET 70 HB2 MET 70 166.066 1.073 1.382 559 2HB MET 70 HB1 MET 70 164.418 1.015 1.978 560 1HG MET 70 HG2 MET 70 165.473 3.408 0.513 561 2HG MET 70 HG1 MET 70 164.823 2.007 -0.328 562 1HE MET 70 HE1 MET 70 161.954 1.317 -0.031 563 2HE MET 70 HE2 MET 70 162.876 2.135 -1.293 564 3HE MET 70 HE3 MET 70 161.353 2.821 -0.730 565 H TYR 71 HN TYR 71 164.931 4.653 2.099 566 HA TYR 71 HA TYR 71 167.390 5.649 1.169 567 1HB TYR 71 HB2 TYR 71 164.694 6.801 1.652 568 2HB TYR 71 HB1 TYR 71 166.033 7.931 1.511 569 HD1 TYR 71 HD1 TYR 71 164.681 8.760 -0.487 570 HD2 TYR 71 HD2 TYR 71 166.505 4.918 -0.372 571 HE1 TYR 71 HE1 TYR 71 164.547 8.627 -2.938 572 HE2 TYR 71 HE2 TYR 71 166.384 4.778 -2.814 573 HH TYR 71 HH TYR 71 166.171 6.183 -4.737 574 H THR 72 HN THR 72 165.806 5.853 4.289 575 HA THR 72 HA THR 72 167.593 7.829 5.344 576 HB THR 72 HB THR 72 165.959 5.854 6.937 577 HG1 THR 72 HG1 THR 72 165.183 8.248 5.656 578 1HG2 THR 72 HG21 THR 72 167.248 8.461 7.541 579 2HG2 THR 72 HG22 THR 72 167.162 6.991 8.511 580 3HG2 THR 72 HG23 THR 72 165.746 8.031 8.358 581 H ALA 73 HN ALA 73 167.535 4.355 5.096 582 HA ALA 73 HA ALA 73 169.597 3.800 6.962 583 1HB ALA 73 HB1 ALA 73 168.960 2.139 4.535 584 2HB ALA 73 HB2 ALA 73 167.935 2.153 5.970 585 3HB ALA 73 HB3 ALA 73 169.607 1.606 6.087 586 H ILE 74 HN ILE 74 169.523 4.866 3.654 587 HA ILE 74 HA ILE 74 172.260 4.269 3.057 588 HB ILE 74 HB ILE 74 171.041 6.532 1.604 589 1HG1 ILE 74 HG12 ILE 74 169.051 5.087 2.008 590 2HG1 ILE 74 HG11 ILE 74 169.482 5.223 0.312 591 1HG2 ILE 74 HG21 ILE 74 172.425 5.856 -0.003 592 2HG2 ILE 74 HG22 ILE 74 171.883 4.182 0.107 593 3HG2 ILE 74 HG23 ILE 74 173.118 4.784 1.212 594 1HD1 ILE 74 HD11 ILE 74 169.706 2.878 2.133 595 2HD1 ILE 74 HD12 ILE 74 170.767 3.011 0.730 596 3HD1 ILE 74 HD13 ILE 74 169.017 2.991 0.512 597 H ASN 75 HN ASN 75 170.474 7.159 4.055 598 HA ASN 75 HA ASN 75 172.568 8.994 4.022 599 1HB ASN 75 HB2 ASN 75 170.031 8.808 5.621 600 2HB ASN 75 HB1 ASN 75 171.179 10.113 5.909 601 1HD2 ASN 75 HD21 ASN 75 169.228 8.565 3.419 602 2HD2 ASN 75 HD22 ASN 75 169.022 9.978 2.448 603 H GLU 76 HN GLU 76 171.300 7.274 6.891 604 HA GLU 76 HA GLU 76 173.331 8.058 8.637 605 1HB GLU 76 HB2 GLU 76 171.050 6.516 8.824 606 2HB GLU 76 HB1 GLU 76 172.329 5.351 9.132 607 1HG GLU 76 HG2 GLU 76 173.212 6.819 10.896 608 2HG GLU 76 HG1 GLU 76 171.877 7.933 10.610 609 H LEU 77 HN LEU 77 173.195 5.462 6.300 610 HA LEU 77 HA LEU 77 175.456 4.017 7.181 611 1HB LEU 77 HB2 LEU 77 173.886 2.969 5.717 612 2HB LEU 77 HB1 LEU 77 174.086 4.218 4.506 613 HG LEU 77 HG LEU 77 176.589 2.857 5.118 614 1HD1 LEU 77 HD11 LEU 77 176.135 0.703 4.460 615 2HD1 LEU 77 HD12 LEU 77 174.635 1.153 3.649 616 3HD1 LEU 77 HD13 LEU 77 174.697 1.084 5.410 617 1HD2 LEU 77 HD21 LEU 77 176.578 4.175 3.205 618 2HD2 LEU 77 HD22 LEU 77 174.995 3.592 2.693 619 3HD2 LEU 77 HD23 LEU 77 176.405 2.541 2.564 620 H ILE 78 HN ILE 78 175.105 6.374 4.518 621 HA ILE 78 HA ILE 78 177.839 6.438 3.857 622 HB ILE 78 HB ILE 78 175.731 7.348 2.576 623 1HG1 ILE 78 HG12 ILE 78 177.952 7.200 1.608 624 2HG1 ILE 78 HG11 ILE 78 177.228 8.747 1.186 625 1HG2 ILE 78 HG21 ILE 78 175.451 9.117 4.448 626 2HG2 ILE 78 HG22 ILE 78 175.210 9.591 2.768 627 3HG2 ILE 78 HG23 ILE 78 176.723 9.981 3.586 628 1HD1 ILE 78 HD11 ILE 78 179.382 9.333 1.735 629 2HD1 ILE 78 HD12 ILE 78 179.481 8.157 3.044 630 3HD1 ILE 78 HD13 ILE 78 178.525 9.625 3.248 631 H ASN 79 HN ASN 79 175.943 8.271 6.181 632 HA ASN 79 HA ASN 79 177.723 10.333 6.749 633 1HB ASN 79 HB2 ASN 79 175.844 8.889 8.630 634 2HB ASN 79 HB1 ASN 79 176.623 10.430 8.972 635 1HD2 ASN 79 HD21 ASN 79 174.158 10.749 9.234 636 2HD2 ASN 79 HD22 ASN 79 173.355 11.405 7.852 637 H LYS 80 HN LYS 80 177.379 7.243 8.504 638 HA LYS 80 HA LYS 80 179.553 7.557 10.209 639 1HB LYS 80 HB2 LYS 80 177.663 5.608 9.771 640 2HB LYS 80 HB1 LYS 80 179.149 4.802 9.286 641 1HG LYS 80 HG2 LYS 80 179.006 6.260 11.889 642 2HG LYS 80 HG1 LYS 80 178.353 4.627 11.735 643 1HD LYS 80 HD2 LYS 80 180.555 3.879 10.879 644 2HD LYS 80 HD1 LYS 80 181.186 5.501 11.176 645 1HE LYS 80 HE2 LYS 80 180.223 3.475 13.174 646 2HE LYS 80 HE1 LYS 80 181.817 4.216 13.050 647 1HZ LYS 80 HZ1 LYS 80 179.297 5.442 13.998 648 2HZ LYS 80 HZ2 LYS 80 180.623 6.383 13.532 649 3HZ LYS 80 HZ3 LYS 80 180.769 5.295 14.819 650 H LEU 81 HN LEU 81 179.411 6.160 6.960 651 HA LEU 81 HA LEU 81 181.990 5.171 6.739 652 1HB LEU 81 HB2 LEU 81 179.998 6.254 4.805 653 2HB LEU 81 HB1 LEU 81 181.633 5.977 4.237 654 HG LEU 81 HG LEU 81 180.102 3.803 5.632 655 1HD1 LEU 81 HD11 LEU 81 179.747 3.087 3.114 656 2HD1 LEU 81 HD12 LEU 81 179.766 4.831 2.863 657 3HD1 LEU 81 HD13 LEU 81 178.583 4.110 3.954 658 1HD2 LEU 81 HD21 LEU 81 181.945 3.231 3.424 659 2HD2 LEU 81 HD22 LEU 81 181.792 2.469 5.007 660 3HD2 LEU 81 HD23 LEU 81 182.695 3.974 4.837 661 H GLU 82 HN GLU 82 180.823 8.430 5.876 662 HA GLU 82 HA GLU 82 183.208 9.523 5.005 663 1HB GLU 82 HB2 GLU 82 180.687 10.469 5.326 664 2HB GLU 82 HB1 GLU 82 181.511 11.320 6.625 665 1HG GLU 82 HG2 GLU 82 182.991 12.375 5.124 666 2HG GLU 82 HG1 GLU 82 182.521 11.313 3.799 667 H ARG 83 HN ARG 83 181.843 10.012 8.277 668 HA ARG 83 HA ARG 83 184.010 11.219 9.453 669 1HB ARG 83 HB2 ARG 83 181.636 10.529 10.385 670 2HB ARG 83 HB1 ARG 83 182.531 9.162 11.035 671 1HG ARG 83 HG2 ARG 83 184.094 10.814 12.091 672 2HG ARG 83 HG1 ARG 83 182.968 12.083 11.601 673 1HD ARG 83 HD2 ARG 83 181.731 9.819 13.000 674 2HD ARG 83 HD1 ARG 83 182.880 10.739 13.971 675 HE ARG 83 HE ARG 83 180.277 11.559 13.191 676 1HH1 ARG 83 HH11 ARG 83 183.501 12.774 13.750 677 2HH1 ARG 83 HH12 ARG 83 182.963 14.370 14.151 678 1HH2 ARG 83 HH21 ARG 83 179.570 13.659 13.718 679 2HH2 ARG 83 HH22 ARG 83 180.733 14.873 14.134 680 H GLN 84 HN GLN 84 183.357 7.720 9.369 681 HA GLN 84 HA GLN 84 185.673 6.868 10.670 682 1HB GLN 84 HB2 GLN 84 183.499 5.680 9.271 683 2HB GLN 84 HB1 GLN 84 184.980 4.985 8.629 684 1HG GLN 84 HG2 GLN 84 185.664 4.462 10.966 685 2HG GLN 84 HG1 GLN 84 184.071 5.001 11.494 686 1HE2 GLN 84 HE21 GLN 84 182.545 3.986 9.389 687 2HE2 GLN 84 HE22 GLN 84 182.560 2.262 9.474 688 H LEU 85 HN LEU 85 185.045 7.305 7.203 689 HA LEU 85 HA LEU 85 187.563 6.490 6.284 690 1HB LEU 85 HB2 LEU 85 185.415 6.890 4.959 691 2HB LEU 85 HB1 LEU 85 185.869 8.584 4.947 692 HG LEU 85 HG LEU 85 187.951 6.705 4.020 693 1HD1 LEU 85 HD11 LEU 85 185.263 6.783 2.839 694 2HD1 LEU 85 HD12 LEU 85 186.535 5.569 2.698 695 3HD1 LEU 85 HD13 LEU 85 186.590 7.023 1.703 696 1HD2 LEU 85 HD21 LEU 85 188.280 9.118 3.994 697 2HD2 LEU 85 HD22 LEU 85 186.856 9.312 2.973 698 3HD2 LEU 85 HD23 LEU 85 188.275 8.469 2.355 699 H ASN 86 HN ASN 86 186.376 9.855 6.364 700 HA ASN 86 HA ASN 86 188.546 11.298 5.835 701 1HB ASN 86 HB2 ASN 86 186.872 11.937 8.266 702 2HB ASN 86 HB1 ASN 86 187.718 13.071 7.219 703 1HD2 ASN 86 HD21 ASN 86 185.391 13.897 7.398 704 2HD2 ASN 86 HD22 ASN 86 184.326 13.404 6.131 705 H LYS 87 HN LYS 87 187.967 9.861 9.036 706 HA LYS 87 HA LYS 87 190.287 10.883 10.255 707 1HB LYS 87 HB2 LYS 87 188.141 9.626 11.204 708 2HB LYS 87 HB1 LYS 87 189.228 8.246 11.130 709 1HG LYS 87 HG2 LYS 87 189.505 10.758 12.737 710 2HG LYS 87 HG1 LYS 87 189.449 9.087 13.298 711 1HD LYS 87 HD2 LYS 87 191.618 8.800 11.916 712 2HD LYS 87 HD1 LYS 87 191.694 10.562 11.971 713 1HE LYS 87 HE2 LYS 87 192.900 10.069 13.845 714 2HE LYS 87 HE1 LYS 87 191.285 10.155 14.545 715 1HZ LYS 87 HZ1 LYS 87 192.477 8.194 15.297 716 2HZ LYS 87 HZ2 LYS 87 192.667 7.665 13.701 717 3HZ LYS 87 HZ3 LYS 87 191.122 7.753 14.384 718 H LEU 88 HN LEU 88 189.750 7.451 9.447 719 HA LEU 88 HA LEU 88 192.487 6.793 9.570 720 1HB LEU 88 HB2 LEU 88 190.122 5.399 9.416 721 2HB LEU 88 HB1 LEU 88 190.862 5.061 7.864 722 HG LEU 88 HG LEU 88 192.024 4.486 10.588 723 1HD1 LEU 88 HD11 LEU 88 190.858 2.826 8.388 724 2HD1 LEU 88 HD12 LEU 88 190.512 2.791 10.117 725 3HD1 LEU 88 HD13 LEU 88 192.035 2.142 9.510 726 1HD2 LEU 88 HD21 LEU 88 193.828 3.358 9.169 727 2HD2 LEU 88 HD22 LEU 88 193.890 5.114 9.328 728 3HD2 LEU 88 HD23 LEU 88 193.255 4.384 7.854 729 H GLN 89 HN GLN 89 190.782 8.453 7.179 730 HA GLN 89 HA GLN 89 192.429 7.516 4.977 731 1HB GLN 89 HB2 GLN 89 189.954 8.156 4.811 732 2HB GLN 89 HB1 GLN 89 190.502 9.826 4.880 733 1HG GLN 89 HG2 GLN 89 191.969 8.280 2.920 734 2HG GLN 89 HG1 GLN 89 190.233 8.261 2.620 735 1HE2 GLN 89 HE21 GLN 89 192.542 9.572 1.246 736 2HE2 GLN 89 HE22 GLN 89 192.090 11.235 1.115 737 H HIS 90 HN HIS 90 192.359 10.134 7.245 738 HA HIS 90 HA HIS 90 193.903 11.992 5.769 739 1HB HIS 90 HB2 HIS 90 192.551 12.625 7.732 740 2HB HIS 90 HB1 HIS 90 193.634 11.701 8.769 741 HD1 HIS 90 HD1 HIS 90 195.669 13.319 6.316 742 HD2 HIS 90 HD2 HIS 90 193.817 14.507 9.841 743 HE1 HIS 90 HE1 HIS 90 196.849 15.424 7.018 744 HE2 HIS 90 HE2 HIS 90 195.767 16.080 9.197 745 H LYS 91 HN LYS 91 195.421 10.254 4.950 746 HA LYS 91 HA LYS 91 197.973 10.636 5.971 747 1HB LYS 91 HB2 LYS 91 198.399 8.269 6.821 748 2HB LYS 91 HB1 LYS 91 197.515 9.349 7.889 749 1HG LYS 91 HG2 LYS 91 195.510 8.238 7.570 750 2HG LYS 91 HG1 LYS 91 196.043 7.509 6.052 751 1HD LYS 91 HD2 LYS 91 197.857 6.476 7.777 752 2HD LYS 91 HD1 LYS 91 196.448 6.620 8.829 753 1HE LYS 91 HE2 LYS 91 195.199 5.506 6.825 754 2HE LYS 91 HE1 LYS 91 196.816 4.980 6.359 755 1HZ LYS 91 HZ1 LYS 91 197.042 3.716 8.275 756 2HZ LYS 91 HZ2 LYS 91 195.425 3.458 7.849 757 3HZ LYS 91 HZ3 LYS 91 195.809 4.532 9.098 758 H GLY 92 HN GLY 92 196.604 10.483 3.463 759 1HA GLY 92 HA2 GLY 92 196.766 9.568 1.355 760 2HA GLY 92 HA1 GLY 92 198.460 9.406 1.789 761 H GLU 93 HN GLU 93 199.304 7.428 1.998 762 HA GLU 93 HA GLU 93 199.483 5.172 1.712 763 1HB GLU 93 HB2 GLU 93 197.957 5.726 4.007 764 2HB GLU 93 HB1 GLU 93 197.155 4.373 3.224 765 1HG GLU 93 HG2 GLU 93 200.098 4.230 3.502 766 2HG GLU 93 HG1 GLU 93 199.132 4.064 4.968 767 H ALA 94 HN ALA 94 198.296 6.224 -0.473 768 HA ALA 94 HA ALA 94 196.246 4.214 -1.138 769 1HB ALA 94 HB1 ALA 94 195.751 6.893 -0.988 770 2HB ALA 94 HB2 ALA 94 194.828 5.742 -1.955 771 3HB ALA 94 HB3 ALA 94 196.118 6.684 -2.700 772 H ARG 95 HN ARG 95 198.547 6.508 -2.615 773 HA ARG 95 HA ARG 95 200.061 6.255 -4.298 774 1HB ARG 95 HB2 ARG 95 199.462 3.301 -4.301 775 2HB ARG 95 HB1 ARG 95 200.931 4.108 -4.836 776 1HG ARG 95 HG2 ARG 95 201.538 4.645 -2.592 777 2HG ARG 95 HG1 ARG 95 199.981 4.084 -1.982 778 1HD ARG 95 HD2 ARG 95 201.575 2.144 -3.544 779 2HD ARG 95 HD1 ARG 95 202.201 2.581 -1.955 780 HE ARG 95 HE ARG 95 200.015 0.876 -2.486 781 1HH1 ARG 95 HH11 ARG 95 201.035 3.383 -0.283 782 2HH1 ARG 95 HH12 ARG 95 200.056 2.807 1.024 783 1HH2 ARG 95 HH21 ARG 95 198.726 0.117 -0.768 784 2HH2 ARG 95 HH22 ARG 95 198.745 0.951 0.748 785 H ARG 96 HN ARG 96 197.588 3.765 -4.957 786 HA ARG 96 HA ARG 96 197.479 4.101 -7.704 787 1HB ARG 96 HB2 ARG 96 196.152 2.553 -5.820 788 2HB ARG 96 HB1 ARG 96 194.868 3.495 -6.564 789 1HG ARG 96 HG2 ARG 96 195.069 1.442 -7.752 790 2HG ARG 96 HG1 ARG 96 195.683 2.733 -8.787 791 1HD ARG 96 HD2 ARG 96 197.361 1.225 -9.067 792 2HD ARG 96 HD1 ARG 96 197.974 2.054 -7.636 793 HE ARG 96 HE ARG 96 196.646 0.117 -6.468 794 1HH1 ARG 96 HH11 ARG 96 198.660 -0.074 -9.319 795 2HH1 ARG 96 HH12 ARG 96 199.102 -1.724 -9.043 796 1HH2 ARG 96 HH21 ARG 96 197.236 -2.050 -6.109 797 2HH2 ARG 96 HH22 ARG 96 198.298 -2.845 -7.223 798 H ALA 97 HN ALA 97 196.477 5.471 -9.077 799 HA ALA 97 HA ALA 97 195.631 8.006 -8.136 800 1HB ALA 97 HB1 ALA 97 194.916 8.292 -10.580 801 2HB ALA 97 HB2 ALA 97 195.613 6.692 -10.832 802 3HB ALA 97 HB3 ALA 97 196.626 8.012 -10.248 803 H ALA 98 HN ALA 98 193.949 5.060 -8.878 804 HA ALA 98 HA ALA 98 191.808 4.428 -8.379 805 1HB ALA 98 HB1 ALA 98 192.004 6.237 -6.573 806 2HB ALA 98 HB2 ALA 98 190.388 5.738 -7.076 807 3HB ALA 98 HB3 ALA 98 191.074 7.248 -7.679 808 H THR 99 HN THR 99 192.782 6.433 -10.781 809 HA THR 99 HA THR 99 190.114 6.722 -11.959 810 HB THR 99 HB THR 99 191.513 8.735 -11.920 811 HG1 THR 99 HG1 THR 99 191.332 9.207 -14.142 812 1HG2 THR 99 HG21 THR 99 193.392 7.238 -13.727 813 2HG2 THR 99 HG22 THR 99 193.725 7.712 -12.061 814 3HG2 THR 99 HG23 THR 99 193.485 8.946 -13.297 815 H SER 100 HN SER 100 189.679 5.969 -14.079 816 HA SER 100 HA SER 100 191.182 3.567 -14.754 817 1HB SER 100 HB2 SER 100 189.248 3.291 -16.431 818 2HB SER 100 HB1 SER 100 188.865 3.154 -14.715 819 HG SER 100 HG SER 100 187.410 4.597 -15.244 820 H VAL 101 HN VAL 101 191.851 6.565 -15.412 821 HA VAL 101 HA VAL 101 192.124 6.317 -18.313 822 HB VAL 101 HB VAL 101 192.722 8.678 -16.524 823 1HG1 VAL 101 HG11 VAL 101 192.420 9.742 -18.963 824 2HG1 VAL 101 HG12 VAL 101 193.087 8.172 -19.413 825 3HG1 VAL 101 HG13 VAL 101 193.982 9.230 -18.323 826 1HG2 VAL 101 HG21 VAL 101 190.649 9.523 -17.915 827 2HG2 VAL 101 HG22 VAL 101 190.438 8.596 -16.430 828 3HG2 VAL 101 HG23 VAL 101 190.292 7.798 -17.996 829 H LYS 102 HN LYS 102 193.996 6.322 -15.375 830 HA LYS 102 HA LYS 102 196.524 6.514 -16.784 831 1HB LYS 102 HB2 LYS 102 195.675 6.435 -13.928 832 2HB LYS 102 HB1 LYS 102 197.314 5.936 -14.317 833 1HG LYS 102 HG2 LYS 102 197.984 8.029 -14.793 834 2HG LYS 102 HG1 LYS 102 196.442 8.469 -15.531 835 1HD LYS 102 HD2 LYS 102 195.460 8.953 -13.458 836 2HD LYS 102 HD1 LYS 102 196.710 8.084 -12.566 837 1HE LYS 102 HE2 LYS 102 197.462 10.190 -12.199 838 2HE LYS 102 HE1 LYS 102 198.245 9.912 -13.756 839 1HZ LYS 102 HZ1 LYS 102 197.238 11.933 -14.080 840 2HZ LYS 102 HZ2 LYS 102 195.891 11.557 -13.131 841 3HZ LYS 102 HZ3 LYS 102 196.044 10.892 -14.678 842 H ASP 103 HN ASP 103 194.398 4.112 -16.626 843 HA ASP 103 HA ASP 103 196.499 2.056 -16.548 844 1HB ASP 103 HB2 ASP 103 194.877 2.117 -14.527 845 2HB ASP 103 HB1 ASP 103 193.687 1.474 -15.656 846 H ALA 104 HN ALA 104 195.159 3.590 -18.738 847 HA ALA 104 HA ALA 104 193.578 1.575 -20.108 848 1HB ALA 104 HB1 ALA 104 194.388 4.369 -20.894 849 2HB ALA 104 HB2 ALA 104 192.817 3.842 -20.290 850 3HB ALA 104 HB3 ALA 104 193.377 3.309 -21.875 851 H ASN 105 HN ASN 105 195.984 0.480 -19.719 852 HA ASN 105 HA ASN 105 197.685 0.960 -22.023 853 1HB ASN 105 HB2 ASN 105 198.143 0.053 -19.425 854 2HB ASN 105 HB1 ASN 105 198.375 -1.374 -20.431 855 1HD2 ASN 105 HD21 ASN 105 199.601 1.685 -19.492 856 2HD2 ASN 105 HD22 ASN 105 201.068 1.626 -20.402 857 H PHE 106 HN PHE 106 195.145 -1.156 -21.078 858 HA PHE 106 HA PHE 106 195.755 -3.399 -22.656 859 1HB PHE 106 HB2 PHE 106 193.056 -2.353 -21.781 860 2HB PHE 106 HB1 PHE 106 193.366 -3.968 -22.410 861 HD1 PHE 106 HD1 PHE 106 193.708 -1.733 -19.551 862 HD2 PHE 106 HD2 PHE 106 194.548 -5.616 -21.075 863 HE1 PHE 106 HE1 PHE 106 194.210 -2.515 -17.272 864 HE2 PHE 106 HE2 PHE 106 195.050 -6.406 -18.799 865 HZ PHE 106 HZ PHE 106 194.881 -4.854 -16.893 866 H VAL 107 HN VAL 107 192.712 -2.522 -23.720 867 HA VAL 107 HA VAL 107 193.557 -2.364 -26.426 868 HB VAL 107 HB VAL 107 191.178 -1.954 -26.945 869 1HG1 VAL 107 HG11 VAL 107 190.315 -4.082 -25.787 870 2HG1 VAL 107 HG12 VAL 107 191.937 -4.192 -25.101 871 3HG1 VAL 107 HG13 VAL 107 191.717 -4.220 -26.851 872 1HG2 VAL 107 HG21 VAL 107 189.757 -2.343 -24.681 873 2HG2 VAL 107 HG22 VAL 107 190.103 -0.756 -25.366 874 3HG2 VAL 107 HG23 VAL 107 191.102 -1.389 -24.058 875 H GLU 108 HN GLU 108 193.459 -0.036 -24.023 876 HA GLU 108 HA GLU 108 193.695 2.220 -24.014 877 1HB GLU 108 HB2 GLU 108 195.548 1.817 -25.507 878 2HB GLU 108 HB1 GLU 108 194.464 1.721 -26.887 879 1HG GLU 108 HG2 GLU 108 193.921 4.202 -25.799 880 2HG GLU 108 HG1 GLU 108 195.666 4.032 -25.618 881 H GLU 109 HN GLU 109 192.861 2.666 -27.311 882 HA GLU 109 HA GLU 109 190.619 4.273 -26.656 883 1HB GLU 109 HB2 GLU 109 192.229 3.780 -28.943 884 2HB GLU 109 HB1 GLU 109 190.558 3.508 -29.414 885 1HG GLU 109 HG2 GLU 109 191.740 6.004 -28.231 886 2HG GLU 109 HG1 GLU 109 191.106 5.782 -29.859 887 H VAL 110 HN VAL 110 188.752 3.627 -28.642 888 HA VAL 110 HA VAL 110 186.984 2.273 -29.142 889 HB VAL 110 HB VAL 110 188.332 0.044 -27.621 890 1HG1 VAL 110 HG11 VAL 110 186.025 0.265 -29.473 891 2HG1 VAL 110 HG12 VAL 110 186.243 -0.754 -28.050 892 3HG1 VAL 110 HG13 VAL 110 187.025 -1.184 -29.570 893 1HG2 VAL 110 HG21 VAL 110 188.605 -0.058 -30.511 894 2HG2 VAL 110 HG22 VAL 110 189.821 -0.278 -29.252 895 3HG2 VAL 110 HG23 VAL 110 189.416 1.344 -29.812 896 H GLU 111 HN GLU 111 185.030 2.188 -28.201 897 HA GLU 111 HA GLU 111 184.846 2.779 -25.393 898 1HB GLU 111 HB2 GLU 111 182.494 2.245 -27.167 899 2HB GLU 111 HB1 GLU 111 182.593 3.299 -25.764 900 1HG GLU 111 HG2 GLU 111 182.672 4.909 -27.321 901 2HG GLU 111 HG1 GLU 111 184.386 4.496 -27.363 902 H GLU 112 HN GLU 112 183.127 0.445 -27.353 903 HA GLU 112 HA GLU 112 183.830 -1.821 -25.833 904 1HB GLU 112 HB2 GLU 112 181.682 -2.247 -24.706 905 2HB GLU 112 HB1 GLU 112 182.467 -0.798 -24.096 906 1HG GLU 112 HG2 GLU 112 180.771 0.506 -24.700 907 2HG GLU 112 HG1 GLU 112 180.650 -0.243 -26.292 908 H GLU 113 HN GLU 113 183.539 -1.042 -28.580 909 HA GLU 113 HA GLU 113 181.266 -2.625 -29.521 910 1HB GLU 113 HB2 GLU 113 183.119 -0.656 -30.824 911 2HB GLU 113 HB1 GLU 113 182.184 -1.775 -31.805 912 1HG GLU 113 HG2 GLU 113 180.658 -0.312 -29.763 913 2HG GLU 113 HG1 GLU 113 181.339 0.672 -31.057 Start of MODEL 3 1 1H MET 1 HT1 MET 1 186.848 0.352 -5.283 2 2H MET 1 HT2 MET 1 185.878 -1.057 -5.157 3 3H MET 1 HT3 MET 1 185.150 0.460 -5.491 4 HA MET 1 HA MET 1 186.031 0.560 -7.599 5 1HB MET 1 HB2 MET 1 188.041 -1.101 -6.374 6 2HB MET 1 HB1 MET 1 187.503 -1.837 -7.878 7 1HG MET 1 HG2 MET 1 187.874 0.463 -8.925 8 2HG MET 1 HG1 MET 1 188.764 0.846 -7.454 9 1HE MET 1 HE1 MET 1 189.969 -2.106 -10.746 10 2HE MET 1 HE2 MET 1 189.095 -0.599 -11.018 11 3HE MET 1 HE3 MET 1 188.329 -1.917 -10.130 12 H THR 2 HN THR 2 185.763 -2.759 -6.302 13 HA THR 2 HA THR 2 183.962 -3.478 -8.463 14 HB THR 2 HB THR 2 184.155 -5.734 -7.662 15 HG1 THR 2 HG1 THR 2 184.306 -6.019 -5.605 16 1HG2 THR 2 HG21 THR 2 186.121 -5.743 -8.691 17 2HG2 THR 2 HG22 THR 2 186.834 -5.594 -7.086 18 3HG2 THR 2 HG23 THR 2 186.552 -4.153 -8.061 19 H MET 3 HN MET 3 182.259 -1.994 -7.798 20 HA MET 3 HA MET 3 180.938 -2.031 -5.357 21 1HB MET 3 HB2 MET 3 178.935 -1.245 -6.694 22 2HB MET 3 HB1 MET 3 180.403 -0.297 -6.875 23 1HG MET 3 HG2 MET 3 180.495 -0.681 -9.057 24 2HG MET 3 HG1 MET 3 180.249 -2.413 -8.839 25 1HE MET 3 HE1 MET 3 177.025 0.783 -8.966 26 2HE MET 3 HE2 MET 3 178.450 0.701 -7.929 27 3HE MET 3 HE3 MET 3 176.991 -0.188 -7.494 28 H ASN 4 HN ASN 4 180.709 -4.107 -4.550 29 HA ASN 4 HA ASN 4 179.009 -5.961 -6.060 30 1HB ASN 4 HB2 ASN 4 180.809 -6.385 -3.669 31 2HB ASN 4 HB1 ASN 4 179.757 -7.631 -4.335 32 1HD2 ASN 4 HD21 ASN 4 182.156 -8.450 -4.313 33 2HD2 ASN 4 HD22 ASN 4 182.966 -8.308 -5.832 34 H ILE 5 HN ILE 5 177.069 -6.680 -5.306 35 HA ILE 5 HA ILE 5 176.112 -5.532 -2.764 36 HB ILE 5 HB ILE 5 174.204 -6.103 -4.995 37 1HG1 ILE 5 HG12 ILE 5 176.009 -4.660 -5.942 38 2HG1 ILE 5 HG11 ILE 5 174.438 -3.867 -5.885 39 1HG2 ILE 5 HG21 ILE 5 172.983 -4.226 -3.891 40 2HG2 ILE 5 HG22 ILE 5 174.246 -4.204 -2.659 41 3HG2 ILE 5 HG23 ILE 5 173.240 -5.637 -2.864 42 1HD1 ILE 5 HD11 ILE 5 176.398 -2.460 -5.215 43 2HD1 ILE 5 HD12 ILE 5 176.548 -3.481 -3.786 44 3HD1 ILE 5 HD13 ILE 5 175.083 -2.533 -4.043 45 H THR 6 HN THR 6 175.110 -6.899 -1.378 46 HA THR 6 HA THR 6 174.136 -9.476 -2.317 47 HB THR 6 HB THR 6 176.262 -9.262 -0.178 48 HG1 THR 6 HG1 THR 6 176.349 -10.358 -2.791 49 1HG2 THR 6 HG21 THR 6 176.268 -11.650 -0.095 50 2HG2 THR 6 HG22 THR 6 175.039 -11.742 -1.356 51 3HG2 THR 6 HG23 THR 6 174.632 -11.076 0.225 52 H SER 7 HN SER 7 172.091 -8.711 -1.695 53 HA SER 7 HA SER 7 171.664 -8.021 1.103 54 1HB SER 7 HB2 SER 7 169.868 -8.010 -1.320 55 2HB SER 7 HB1 SER 7 169.267 -7.709 0.310 56 HG SER 7 HG SER 7 169.766 -5.739 -0.554 57 H LYS 8 HN LYS 8 170.195 -9.133 2.458 58 HA LYS 8 HA LYS 8 169.977 -11.986 1.799 59 1HB LYS 8 HB2 LYS 8 170.921 -10.663 4.076 60 2HB LYS 8 HB1 LYS 8 169.369 -11.336 4.554 61 1HG LYS 8 HG2 LYS 8 170.109 -13.461 4.459 62 2HG LYS 8 HG1 LYS 8 171.150 -13.152 3.067 63 1HD LYS 8 HD2 LYS 8 171.724 -12.326 5.914 64 2HD LYS 8 HD1 LYS 8 172.450 -13.700 5.076 65 1HE LYS 8 HE2 LYS 8 172.729 -11.293 3.518 66 2HE LYS 8 HE1 LYS 8 173.375 -11.059 5.141 67 1HZ LYS 8 HZ1 LYS 8 174.098 -13.334 3.378 68 2HZ LYS 8 HZ2 LYS 8 174.804 -12.934 4.861 69 3HZ LYS 8 HZ3 LYS 8 175.014 -11.919 3.525 70 H GLN 9 HN GLN 9 168.075 -12.845 1.383 71 HA GLN 9 HA GLN 9 165.832 -12.958 0.941 72 1HB GLN 9 HB2 GLN 9 164.505 -13.204 2.905 73 2HB GLN 9 HB1 GLN 9 166.118 -13.785 3.290 74 1HG GLN 9 HG2 GLN 9 165.459 -10.956 3.913 75 2HG GLN 9 HG1 GLN 9 164.773 -12.222 4.927 76 1HE2 GLN 9 HE21 GLN 9 166.755 -10.150 5.532 77 2HE2 GLN 9 HE22 GLN 9 168.149 -10.986 6.116 78 H MET 10 HN MET 10 166.936 -10.324 0.402 79 HA MET 10 HA MET 10 164.466 -8.906 0.155 80 1HB MET 10 HB2 MET 10 165.024 -8.338 2.477 81 2HB MET 10 HB1 MET 10 166.591 -7.733 1.958 82 1HG MET 10 HG2 MET 10 164.376 -6.522 0.524 83 2HG MET 10 HG1 MET 10 164.301 -6.252 2.261 84 1HE MET 10 HE1 MET 10 167.223 -4.499 3.307 85 2HE MET 10 HE2 MET 10 165.615 -5.166 3.589 86 3HE MET 10 HE3 MET 10 165.793 -3.536 2.938 87 H GLU 11 HN GLU 11 164.868 -8.783 -2.014 88 HA GLU 11 HA GLU 11 167.289 -8.135 -3.235 89 1HB GLU 11 HB2 GLU 11 165.455 -9.102 -4.485 90 2HB GLU 11 HB1 GLU 11 164.459 -7.684 -4.194 91 1HG GLU 11 HG2 GLU 11 165.292 -7.625 -6.439 92 2HG GLU 11 HG1 GLU 11 166.054 -6.337 -5.506 93 H ILE 12 HN ILE 12 167.915 -6.183 -4.350 94 HA ILE 12 HA ILE 12 167.575 -3.855 -2.687 95 HB ILE 12 HB ILE 12 169.069 -4.097 -5.303 96 1HG1 ILE 12 HG12 ILE 12 171.027 -4.093 -3.498 97 2HG1 ILE 12 HG11 ILE 12 169.775 -4.821 -2.496 98 1HG2 ILE 12 HG21 ILE 12 170.359 -2.161 -4.313 99 2HG2 ILE 12 HG22 ILE 12 169.065 -2.027 -3.122 100 3HG2 ILE 12 HG23 ILE 12 168.711 -1.810 -4.835 101 1HD1 ILE 12 HD11 ILE 12 170.129 -6.783 -3.443 102 2HD1 ILE 12 HD12 ILE 12 171.435 -6.068 -4.386 103 3HD1 ILE 12 HD13 ILE 12 169.798 -6.109 -5.038 104 H THR 13 HN THR 13 166.268 -2.166 -3.022 105 HA THR 13 HA THR 13 164.486 -2.238 -5.324 106 HB THR 13 HB THR 13 162.988 -1.052 -4.072 107 HG1 THR 13 HG1 THR 13 165.048 0.231 -2.622 108 1HG2 THR 13 HG21 THR 13 162.986 -1.608 -1.779 109 2HG2 THR 13 HG22 THR 13 164.739 -1.801 -1.753 110 3HG2 THR 13 HG23 THR 13 163.738 -2.957 -2.630 111 HA PRO 14 HA PRO 14 166.213 0.962 -7.789 112 1HB PRO 14 HB2 PRO 14 164.118 2.804 -7.918 113 2HB PRO 14 HB1 PRO 14 164.340 1.418 -8.989 114 1HG PRO 14 HG2 PRO 14 162.601 1.695 -6.580 115 2HG PRO 14 HG1 PRO 14 162.288 0.839 -8.101 116 1HD PRO 14 HD2 PRO 14 162.949 -0.488 -5.877 117 2HD PRO 14 HD1 PRO 14 163.553 -1.007 -7.464 118 H ALA 15 HN ALA 15 164.392 2.170 -4.990 119 HA ALA 15 HA ALA 15 165.651 4.680 -4.827 120 1HB ALA 15 HB1 ALA 15 163.618 4.340 -3.634 121 2HB ALA 15 HB2 ALA 15 164.880 4.636 -2.438 122 3HB ALA 15 HB3 ALA 15 164.304 2.993 -2.725 123 H ILE 16 HN ILE 16 166.355 1.600 -3.198 124 HA ILE 16 HA ILE 16 168.553 2.524 -1.703 125 HB ILE 16 HB ILE 16 168.194 -0.289 -2.721 126 1HG1 ILE 16 HG12 ILE 16 166.312 1.128 -1.263 127 2HG1 ILE 16 HG11 ILE 16 166.440 -0.622 -1.354 128 1HG2 ILE 16 HG21 ILE 16 169.759 0.974 -0.504 129 2HG2 ILE 16 HG22 ILE 16 170.294 -0.156 -1.747 130 3HG2 ILE 16 HG23 ILE 16 169.282 -0.720 -0.420 131 1HD1 ILE 16 HD11 ILE 16 166.232 0.296 0.946 132 2HD1 ILE 16 HD12 ILE 16 167.814 1.049 0.734 133 3HD1 ILE 16 HD13 ILE 16 167.659 -0.707 0.689 134 H ARG 17 HN ARG 17 168.541 0.564 -4.690 135 HA ARG 17 HA ARG 17 171.228 0.485 -5.199 136 1HB ARG 17 HB2 ARG 17 170.706 0.069 -7.497 137 2HB ARG 17 HB1 ARG 17 169.435 -0.655 -6.522 138 1HG ARG 17 HG2 ARG 17 167.969 1.211 -7.003 139 2HG ARG 17 HG1 ARG 17 169.244 1.995 -7.938 140 1HD ARG 17 HD2 ARG 17 168.193 -0.748 -8.589 141 2HD ARG 17 HD1 ARG 17 167.486 0.723 -9.255 142 HE ARG 17 HE ARG 17 170.324 0.524 -9.654 143 1HH1 ARG 17 HH11 ARG 17 167.189 -0.338 -10.921 144 2HH1 ARG 17 HH12 ARG 17 167.756 -0.517 -12.548 145 1HH2 ARG 17 HH21 ARG 17 171.073 0.289 -11.793 146 2HH2 ARG 17 HH22 ARG 17 169.960 -0.162 -13.043 147 H GLN 18 HN GLN 18 169.059 3.187 -5.606 148 HA GLN 18 HA GLN 18 170.787 4.770 -7.219 149 1HB GLN 18 HB2 GLN 18 168.254 5.032 -6.840 150 2HB GLN 18 HB1 GLN 18 168.695 5.876 -5.361 151 1HG GLN 18 HG2 GLN 18 169.605 6.665 -8.119 152 2HG GLN 18 HG1 GLN 18 168.239 7.380 -7.264 153 1HE2 GLN 18 HE21 GLN 18 169.002 7.879 -4.836 154 2HE2 GLN 18 HE22 GLN 18 170.409 8.880 -4.767 155 H HIS 19 HN HIS 19 169.997 4.893 -3.744 156 HA HIS 19 HA HIS 19 171.809 6.919 -3.071 157 1HB HIS 19 HB2 HIS 19 170.211 4.916 -1.622 158 2HB HIS 19 HB1 HIS 19 171.661 5.444 -0.775 159 HD1 HIS 19 HD1 HIS 19 169.474 7.672 -2.913 160 HD2 HIS 19 HD2 HIS 19 170.462 7.074 1.078 161 HE1 HIS 19 HE1 HIS 19 168.425 9.587 -1.663 162 HE2 HIS 19 HE2 HIS 19 168.976 9.164 0.757 163 H VAL 20 HN VAL 20 172.166 3.384 -2.692 164 HA VAL 20 HA VAL 20 174.789 3.396 -1.753 165 HB VAL 20 HB VAL 20 174.938 1.058 -2.616 166 1HG1 VAL 20 HG11 VAL 20 172.936 2.120 -0.772 167 2HG1 VAL 20 HG12 VAL 20 174.102 0.813 -0.557 168 3HG1 VAL 20 HG13 VAL 20 172.569 0.502 -1.370 169 1HG2 VAL 20 HG21 VAL 20 172.508 0.284 -3.387 170 2HG2 VAL 20 HG22 VAL 20 173.745 0.805 -4.532 171 3HG2 VAL 20 HG23 VAL 20 172.483 1.927 -4.026 172 H ALA 21 HN ALA 21 173.606 3.121 -5.098 173 HA ALA 21 HA ALA 21 176.140 2.870 -6.301 174 1HB ALA 21 HB1 ALA 21 175.021 3.377 -8.387 175 2HB ALA 21 HB2 ALA 21 173.623 4.005 -7.515 176 3HB ALA 21 HB3 ALA 21 174.023 2.290 -7.421 177 H ASP 22 HN ASP 22 174.297 5.630 -5.229 178 HA ASP 22 HA ASP 22 175.728 7.615 -6.658 179 1HB ASP 22 HB2 ASP 22 173.470 7.892 -5.551 180 2HB ASP 22 HB1 ASP 22 174.319 7.981 -4.011 181 H ARG 23 HN ARG 23 176.237 5.997 -3.591 182 HA ARG 23 HA ARG 23 178.271 7.772 -2.664 183 1HB ARG 23 HB2 ARG 23 177.286 6.600 -0.924 184 2HB ARG 23 HB1 ARG 23 177.232 5.094 -1.827 185 1HG ARG 23 HG2 ARG 23 179.452 4.590 -1.365 186 2HG ARG 23 HG1 ARG 23 179.850 6.262 -0.969 187 1HD ARG 23 HD2 ARG 23 179.655 5.612 1.160 188 2HD ARG 23 HD1 ARG 23 177.919 5.679 0.872 189 HE ARG 23 HE ARG 23 179.546 3.316 1.183 190 1HH1 ARG 23 HH11 ARG 23 176.518 4.603 0.016 191 2HH1 ARG 23 HH12 ARG 23 175.698 3.081 0.092 192 1HH2 ARG 23 HH21 ARG 23 178.467 1.314 1.285 193 2HH2 ARG 23 HH22 ARG 23 176.804 1.214 0.813 194 H LEU 24 HN LEU 24 178.515 4.353 -3.661 195 HA LEU 24 HA LEU 24 181.239 4.153 -3.853 196 1HB LEU 24 HB2 LEU 24 179.003 2.633 -4.681 197 2HB LEU 24 HB1 LEU 24 180.085 2.730 -6.058 198 HG LEU 24 HG LEU 24 181.365 2.045 -3.485 199 1HD1 LEU 24 HD11 LEU 24 179.137 0.480 -4.615 200 2HD1 LEU 24 HD12 LEU 24 179.765 0.542 -2.968 201 3HD1 LEU 24 HD13 LEU 24 180.589 -0.426 -4.190 202 1HD2 LEU 24 HD21 LEU 24 182.837 1.926 -5.239 203 2HD2 LEU 24 HD22 LEU 24 181.611 1.358 -6.374 204 3HD2 LEU 24 HD23 LEU 24 182.277 0.254 -5.169 205 H ALA 25 HN ALA 25 179.017 5.507 -6.226 206 HA ALA 25 HA ALA 25 180.837 5.757 -8.357 207 1HB ALA 25 HB1 ALA 25 179.213 7.693 -8.998 208 2HB ALA 25 HB2 ALA 25 178.256 7.083 -7.649 209 3HB ALA 25 HB3 ALA 25 178.640 6.026 -9.007 210 H LYS 26 HN LYS 26 179.691 8.291 -6.116 211 HA LYS 26 HA LYS 26 181.647 10.173 -6.922 212 1HB LYS 26 HB2 LYS 26 179.810 10.003 -4.544 213 2HB LYS 26 HB1 LYS 26 180.951 11.325 -4.739 214 1HG LYS 26 HG2 LYS 26 178.859 10.597 -6.775 215 2HG LYS 26 HG1 LYS 26 178.644 11.824 -5.523 216 1HD LYS 26 HD2 LYS 26 180.499 13.103 -6.416 217 2HD LYS 26 HD1 LYS 26 180.823 11.847 -7.611 218 1HE LYS 26 HE2 LYS 26 178.267 13.434 -7.421 219 2HE LYS 26 HE1 LYS 26 179.586 13.779 -8.536 220 1HZ LYS 26 HZ1 LYS 26 177.734 11.484 -8.522 221 2HZ LYS 26 HZ2 LYS 26 179.241 11.362 -9.281 222 3HZ LYS 26 HZ3 LYS 26 178.126 12.526 -9.795 223 H LEU 27 HN LEU 27 181.655 7.596 -4.595 224 HA LEU 27 HA LEU 27 183.663 8.443 -2.861 225 1HB LEU 27 HB2 LEU 27 182.208 6.093 -3.296 226 2HB LEU 27 HB1 LEU 27 183.886 5.616 -3.454 227 HG LEU 27 HG LEU 27 183.049 5.309 -1.168 228 1HD1 LEU 27 HD11 LEU 27 185.447 6.344 -1.927 229 2HD1 LEU 27 HD12 LEU 27 185.047 5.817 -0.293 230 3HD1 LEU 27 HD13 LEU 27 184.915 7.522 -0.726 231 1HD2 LEU 27 HD21 LEU 27 181.483 7.323 -1.355 232 2HD2 LEU 27 HD22 LEU 27 182.888 8.295 -0.924 233 3HD2 LEU 27 HD23 LEU 27 182.296 7.062 0.187 234 H GLU 28 HN GLU 28 183.862 7.453 -6.163 235 HA GLU 28 HA GLU 28 186.469 6.504 -6.334 236 1HB GLU 28 HB2 GLU 28 184.449 7.442 -8.147 237 2HB GLU 28 HB1 GLU 28 186.012 8.080 -8.637 238 1HG GLU 28 HG2 GLU 28 186.861 6.018 -9.117 239 2HG GLU 28 HG1 GLU 28 185.818 5.197 -7.957 240 H LYS 29 HN LYS 29 185.323 9.710 -5.745 241 HA LYS 29 HA LYS 29 188.068 10.740 -6.029 242 1HB LYS 29 HB2 LYS 29 185.585 11.743 -7.017 243 2HB LYS 29 HB1 LYS 29 186.200 12.883 -5.829 244 1HG LYS 29 HG2 LYS 29 188.331 12.047 -7.549 245 2HG LYS 29 HG1 LYS 29 186.962 12.602 -8.515 246 1HD LYS 29 HD2 LYS 29 188.481 14.445 -8.005 247 2HD LYS 29 HD1 LYS 29 186.909 14.690 -7.241 248 1HE LYS 29 HE2 LYS 29 188.952 15.188 -5.822 249 2HE LYS 29 HE1 LYS 29 187.738 14.125 -5.113 250 1HZ LYS 29 HZ1 LYS 29 190.308 13.546 -5.114 251 2HZ LYS 29 HZ2 LYS 29 189.899 12.855 -6.603 252 3HZ LYS 29 HZ3 LYS 29 189.115 12.349 -5.193 253 H TRP 30 HN TRP 30 187.403 9.350 -3.743 254 HA TRP 30 HA TRP 30 187.041 11.465 -1.725 255 1HB TRP 30 HB2 TRP 30 185.878 8.871 -1.985 256 2HB TRP 30 HB1 TRP 30 186.879 8.880 -0.537 257 HD1 TRP 30 HD1 TRP 30 183.653 10.269 -1.950 258 HE1 TRP 30 HE1 TRP 30 182.373 11.491 -0.085 259 HE3 TRP 30 HE3 TRP 30 187.278 10.273 1.653 260 HZ2 TRP 30 HZ2 TRP 30 182.838 12.347 2.569 261 HZ3 TRP 30 HZ3 TRP 30 186.783 11.314 3.827 262 HH2 TRP 30 HH2 TRP 30 184.608 12.329 4.274 263 H GLN 31 HN GLN 31 189.536 10.961 -3.068 264 HA GLN 31 HA GLN 31 191.750 10.767 -2.601 265 1HB GLN 31 HB2 GLN 31 190.619 11.089 0.162 266 2HB GLN 31 HB1 GLN 31 192.344 10.851 -0.090 267 1HG GLN 31 HG2 GLN 31 192.413 13.078 -0.206 268 2HG GLN 31 HG1 GLN 31 191.827 12.845 -1.853 269 1HE2 GLN 31 HE21 GLN 31 190.289 12.692 1.342 270 2HE2 GLN 31 HE22 GLN 31 189.032 13.820 0.980 271 H THR 32 HN THR 32 189.634 8.341 -2.051 272 HA THR 32 HA THR 32 191.710 6.482 -1.113 273 HB THR 32 HB THR 32 189.466 5.017 -0.895 274 HG1 THR 32 HG1 THR 32 188.618 7.657 -0.319 275 1HG2 THR 32 HG21 THR 32 191.191 5.896 0.887 276 2HG2 THR 32 HG22 THR 32 189.634 5.220 1.359 277 3HG2 THR 32 HG23 THR 32 189.854 6.968 1.301 278 H HIS 33 HN HIS 33 190.854 4.106 -1.955 279 HA HIS 33 HA HIS 33 190.586 4.378 -4.876 280 1HB HIS 33 HB2 HIS 33 192.194 2.230 -3.495 281 2HB HIS 33 HB1 HIS 33 192.153 2.606 -5.214 282 HD1 HIS 33 HD1 HIS 33 193.060 5.194 -5.723 283 HD2 HIS 33 HD2 HIS 33 194.328 3.311 -2.243 284 HE1 HIS 33 HE1 HIS 33 195.134 6.427 -5.009 285 HE2 HIS 33 HE2 HIS 33 195.829 5.327 -2.850 286 H LEU 34 HN LEU 34 190.066 2.279 -2.070 287 HA LEU 34 HA LEU 34 188.494 0.702 -1.616 288 1HB LEU 34 HB2 LEU 34 187.120 2.287 -3.759 289 2HB LEU 34 HB1 LEU 34 186.380 0.826 -3.135 290 HG LEU 34 HG LEU 34 185.410 2.616 -1.939 291 1HD1 LEU 34 HD11 LEU 34 185.951 2.129 0.319 292 2HD1 LEU 34 HD12 LEU 34 187.582 1.617 -0.114 293 3HD1 LEU 34 HD13 LEU 34 186.197 0.643 -0.600 294 1HD2 LEU 34 HD21 LEU 34 186.844 4.428 -2.413 295 2HD2 LEU 34 HD22 LEU 34 188.221 3.640 -1.643 296 3HD2 LEU 34 HD23 LEU 34 186.881 4.234 -0.661 297 H ILE 35 HN ILE 35 188.197 -1.428 -2.107 298 HA ILE 35 HA ILE 35 188.791 -2.268 -4.864 299 HB ILE 35 HB ILE 35 189.784 -3.853 -2.515 300 1HG1 ILE 35 HG12 ILE 35 191.353 -1.759 -4.039 301 2HG1 ILE 35 HG11 ILE 35 190.754 -1.565 -2.394 302 1HG2 ILE 35 HG21 ILE 35 191.049 -5.026 -4.065 303 2HG2 ILE 35 HG22 ILE 35 190.964 -3.734 -5.262 304 3HG2 ILE 35 HG23 ILE 35 189.544 -4.725 -4.933 305 1HD1 ILE 35 HD11 ILE 35 193.178 -2.741 -3.286 306 2HD1 ILE 35 HD12 ILE 35 192.217 -3.975 -2.472 307 3HD1 ILE 35 HD13 ILE 35 192.615 -2.475 -1.637 308 H ASN 36 HN ASN 36 187.705 -3.556 -1.706 309 HA ASN 36 HA ASN 36 185.772 -5.223 -3.175 310 1HB ASN 36 HB2 ASN 36 187.328 -5.649 -0.663 311 2HB ASN 36 HB1 ASN 36 185.757 -6.429 -0.823 312 1HD2 ASN 36 HD21 ASN 36 188.356 -7.659 -0.660 313 2HD2 ASN 36 HD22 ASN 36 188.565 -8.573 -2.110 314 HA PRO 37 HA PRO 37 183.253 -2.176 -0.672 315 1HB PRO 37 HB2 PRO 37 181.872 -1.049 -2.669 316 2HB PRO 37 HB1 PRO 37 183.514 -0.517 -2.279 317 1HG PRO 37 HG2 PRO 37 182.597 -2.392 -4.431 318 2HG PRO 37 HG1 PRO 37 183.747 -1.047 -4.544 319 1HD PRO 37 HD2 PRO 37 184.522 -3.645 -4.285 320 2HD PRO 37 HD1 PRO 37 185.468 -2.283 -3.655 321 H HIS 38 HN HIS 38 182.138 -3.978 0.191 322 HA HIS 38 HA HIS 38 180.089 -5.219 -1.482 323 1HB HIS 38 HB2 HIS 38 181.772 -6.237 0.469 324 2HB HIS 38 HB1 HIS 38 180.218 -6.129 1.289 325 HD1 HIS 38 HD1 HIS 38 182.124 -8.272 -0.899 326 HD2 HIS 38 HD2 HIS 38 178.091 -7.520 -0.240 327 HE1 HIS 38 HE1 HIS 38 180.903 -10.231 -1.897 328 HE2 HIS 38 HE2 HIS 38 178.461 -9.710 -1.567 329 H ILE 39 HN ILE 39 177.946 -4.961 -1.203 330 HA ILE 39 HA ILE 39 177.055 -3.204 0.993 331 HB ILE 39 HB ILE 39 176.143 -3.231 -1.886 332 1HG1 ILE 39 HG12 ILE 39 176.694 -0.805 -1.731 333 2HG1 ILE 39 HG11 ILE 39 177.299 -1.080 -0.101 334 1HG2 ILE 39 HG21 ILE 39 174.556 -1.396 -1.081 335 2HG2 ILE 39 HG22 ILE 39 174.816 -2.053 0.535 336 3HG2 ILE 39 HG23 ILE 39 174.116 -3.067 -0.727 337 1HD1 ILE 39 HD11 ILE 39 178.468 -2.834 -2.124 338 2HD1 ILE 39 HD12 ILE 39 179.236 -1.906 -0.837 339 3HD1 ILE 39 HD13 ILE 39 178.805 -1.118 -2.355 340 H ILE 40 HN ILE 40 176.158 -4.637 2.374 341 HA ILE 40 HA ILE 40 174.278 -6.620 1.296 342 HB ILE 40 HB ILE 40 175.478 -6.549 4.064 343 1HG1 ILE 40 HG12 ILE 40 176.311 -8.203 1.669 344 2HG1 ILE 40 HG11 ILE 40 177.213 -6.842 2.325 345 1HG2 ILE 40 HG21 ILE 40 173.273 -7.895 3.179 346 2HG2 ILE 40 HG22 ILE 40 174.280 -8.379 4.544 347 3HG2 ILE 40 HG23 ILE 40 174.550 -9.089 2.952 348 1HD1 ILE 40 HD11 ILE 40 176.546 -9.197 4.038 349 2HD1 ILE 40 HD12 ILE 40 177.838 -8.012 4.222 350 3HD1 ILE 40 HD13 ILE 40 177.931 -9.226 2.947 351 H LEU 41 HN LEU 41 172.358 -5.542 1.137 352 HA LEU 41 HA LEU 41 171.371 -4.187 3.558 353 1HB LEU 41 HB2 LEU 41 171.459 -2.661 1.742 354 2HB LEU 41 HB1 LEU 41 170.721 -3.813 0.646 355 HG LEU 41 HG LEU 41 168.912 -3.346 2.807 356 1HD1 LEU 41 HD11 LEU 41 168.477 -0.961 2.491 357 2HD1 LEU 41 HD12 LEU 41 169.903 -0.838 1.459 358 3HD1 LEU 41 HD13 LEU 41 170.083 -1.243 3.166 359 1HD2 LEU 41 HD21 LEU 41 167.406 -2.775 1.046 360 2HD2 LEU 41 HD22 LEU 41 168.435 -4.091 0.474 361 3HD2 LEU 41 HD23 LEU 41 168.739 -2.440 -0.058 362 H SER 42 HN SER 42 170.246 -5.646 4.711 363 HA SER 42 HA SER 42 168.272 -7.319 3.296 364 1HB SER 42 HB2 SER 42 169.317 -7.848 6.075 365 2HB SER 42 HB1 SER 42 168.508 -8.967 4.977 366 HG SER 42 HG SER 42 171.121 -7.895 4.755 367 H LYS 43 HN LYS 43 166.367 -7.923 4.743 368 HA LYS 43 HA LYS 43 165.366 -5.460 5.988 369 1HB LYS 43 HB2 LYS 43 164.051 -6.254 4.097 370 2HB LYS 43 HB1 LYS 43 163.861 -7.825 4.860 371 1HG LYS 43 HG2 LYS 43 162.938 -5.963 6.732 372 2HG LYS 43 HG1 LYS 43 162.302 -5.434 5.176 373 1HD LYS 43 HD2 LYS 43 160.737 -6.949 6.237 374 2HD LYS 43 HD1 LYS 43 161.414 -7.698 4.789 375 1HE LYS 43 HE2 LYS 43 162.959 -8.985 6.159 376 2HE LYS 43 HE1 LYS 43 162.346 -8.202 7.613 377 1HZ LYS 43 HZ1 LYS 43 160.445 -9.598 5.873 378 2HZ LYS 43 HZ2 LYS 43 160.414 -9.387 7.549 379 3HZ LYS 43 HZ3 LYS 43 161.458 -10.527 6.862 380 H GLU 44 HN GLU 44 165.646 -5.466 8.119 381 HA GLU 44 HA GLU 44 165.332 -7.976 9.593 382 1HB GLU 44 HB2 GLU 44 166.964 -5.603 9.929 383 2HB GLU 44 HB1 GLU 44 166.082 -5.983 11.401 384 1HG GLU 44 HG2 GLU 44 166.955 -8.355 11.118 385 2HG GLU 44 HG1 GLU 44 168.066 -7.678 9.928 386 HA PRO 45 HA PRO 45 161.301 -7.389 11.236 387 1HB PRO 45 HB2 PRO 45 162.365 -7.348 13.955 388 2HB PRO 45 HB1 PRO 45 161.322 -8.535 13.186 389 1HG PRO 45 HG2 PRO 45 164.175 -8.645 13.624 390 2HG PRO 45 HG1 PRO 45 163.101 -9.910 13.010 391 1HD PRO 45 HD2 PRO 45 165.029 -8.639 11.516 392 2HD PRO 45 HD1 PRO 45 163.590 -9.423 10.835 393 H GLN 46 HN GLN 46 163.775 -5.650 13.128 394 HA GLN 46 HA GLN 46 161.909 -3.416 13.420 395 1HB GLN 46 HB2 GLN 46 163.325 -4.667 15.300 396 2HB GLN 46 HB1 GLN 46 164.511 -3.450 14.845 397 1HG GLN 46 HG2 GLN 46 163.492 -2.051 16.220 398 2HG GLN 46 HG1 GLN 46 162.122 -2.050 15.109 399 1HE2 GLN 46 HE21 GLN 46 160.618 -3.962 15.415 400 2HE2 GLN 46 HE22 GLN 46 160.222 -4.374 17.045 401 H GLY 47 HN GLY 47 162.934 -3.494 10.870 402 1HA GLY 47 HA2 GLY 47 163.547 -1.350 9.799 403 2HA GLY 47 HA1 GLY 47 164.873 -1.260 10.940 404 H PHE 48 HN PHE 48 165.490 -0.904 8.399 405 HA PHE 48 HA PHE 48 166.235 -3.358 7.083 406 1HB PHE 48 HB2 PHE 48 166.580 -0.436 6.479 407 2HB PHE 48 HB1 PHE 48 167.501 -1.634 5.582 408 HD1 PHE 48 HD1 PHE 48 165.107 -3.696 5.731 409 HD2 PHE 48 HD2 PHE 48 165.487 0.349 4.476 410 HE1 PHE 48 HE1 PHE 48 163.218 -4.002 4.193 411 HE2 PHE 48 HE2 PHE 48 163.593 0.049 2.937 412 HZ PHE 48 HZ PHE 48 162.453 -2.130 2.798 413 H VAL 49 HN VAL 49 168.333 -4.105 6.724 414 HA VAL 49 HA VAL 49 170.329 -3.115 8.653 415 HB VAL 49 HB VAL 49 170.227 -5.846 7.368 416 1HG1 VAL 49 HG11 VAL 49 172.459 -5.298 7.991 417 2HG1 VAL 49 HG12 VAL 49 171.826 -6.396 9.219 418 3HG1 VAL 49 HG13 VAL 49 171.932 -4.668 9.551 419 1HG2 VAL 49 HG21 VAL 49 168.944 -4.763 9.795 420 2HG2 VAL 49 HG22 VAL 49 169.735 -6.330 9.957 421 3HG2 VAL 49 HG23 VAL 49 168.465 -6.104 8.757 422 H ALA 50 HN ALA 50 171.455 -1.626 7.466 423 HA ALA 50 HA ALA 50 172.379 -2.312 4.790 424 1HB ALA 50 HB1 ALA 50 173.224 0.198 6.141 425 2HB ALA 50 HB2 ALA 50 171.525 0.020 5.704 426 3HB ALA 50 HB3 ALA 50 172.770 -0.086 4.460 427 H ASP 51 HN ASP 51 173.801 -4.030 5.360 428 HA ASP 51 HA ASP 51 176.121 -3.344 6.996 429 1HB ASP 51 HB2 ASP 51 174.808 -5.847 6.136 430 2HB ASP 51 HB1 ASP 51 176.566 -5.911 6.218 431 H ALA 52 HN ALA 52 176.891 -1.805 5.374 432 HA ALA 52 HA ALA 52 178.060 -3.055 2.990 433 1HB ALA 52 HB1 ALA 52 178.217 -0.125 3.384 434 2HB ALA 52 HB2 ALA 52 176.621 -0.821 3.102 435 3HB ALA 52 HB3 ALA 52 177.908 -1.060 1.921 436 H THR 53 HN THR 53 180.101 -3.685 3.121 437 HA THR 53 HA THR 53 181.932 -2.224 4.906 438 HB THR 53 HB THR 53 182.577 -4.971 3.938 439 HG1 THR 53 HG1 THR 53 180.614 -4.349 5.871 440 1HG2 THR 53 HG21 THR 53 183.997 -5.050 5.655 441 2HG2 THR 53 HG22 THR 53 182.849 -4.308 6.769 442 3HG2 THR 53 HG23 THR 53 183.807 -3.297 5.686 443 H ILE 54 HN ILE 54 183.162 -0.883 3.772 444 HA ILE 54 HA ILE 54 184.011 -1.662 1.070 445 HB ILE 54 HB ILE 54 184.700 1.059 1.829 446 1HG1 ILE 54 HG12 ILE 54 181.821 0.174 2.057 447 2HG1 ILE 54 HG11 ILE 54 182.771 1.079 3.230 448 1HG2 ILE 54 HG21 ILE 54 182.750 0.368 -0.310 449 2HG2 ILE 54 HG22 ILE 54 184.412 -0.201 -0.466 450 3HG2 ILE 54 HG23 ILE 54 184.080 1.525 -0.324 451 1HD1 ILE 54 HD11 ILE 54 182.769 2.635 0.914 452 2HD1 ILE 54 HD12 ILE 54 181.879 2.925 2.408 453 3HD1 ILE 54 HD13 ILE 54 181.121 2.030 1.091 454 H ASN 55 HN ASN 55 186.087 -2.071 0.618 455 HA ASN 55 HA ASN 55 188.011 -1.900 2.806 456 1HB ASN 55 HB2 ASN 55 187.678 -4.027 1.491 457 2HB ASN 55 HB1 ASN 55 188.393 -3.203 0.108 458 1HD2 ASN 55 HD21 ASN 55 189.176 -3.315 3.568 459 2HD2 ASN 55 HD22 ASN 55 190.818 -3.803 3.352 460 H THR 56 HN THR 56 188.731 0.170 2.893 461 HA THR 56 HA THR 56 189.667 1.483 0.461 462 HB THR 56 HB THR 56 190.173 3.353 2.211 463 HG1 THR 56 HG1 THR 56 188.852 3.164 4.059 464 1HG2 THR 56 HG21 THR 56 187.280 2.643 1.854 465 2HG2 THR 56 HG22 THR 56 188.270 3.348 0.577 466 3HG2 THR 56 HG23 THR 56 187.993 4.241 2.073 467 HA PRO 57 HA PRO 57 193.982 0.760 0.896 468 1HB PRO 57 HB2 PRO 57 195.018 3.338 0.973 469 2HB PRO 57 HB1 PRO 57 194.629 2.435 -0.493 470 1HG PRO 57 HG2 PRO 57 193.031 4.513 0.936 471 2HG PRO 57 HG1 PRO 57 193.225 4.247 -0.806 472 1HD PRO 57 HD2 PRO 57 191.002 3.488 0.471 473 2HD PRO 57 HD1 PRO 57 191.691 2.503 -0.837 474 H ASN 58 HN ASN 58 192.396 2.827 3.195 475 HA ASN 58 HA ASN 58 194.628 2.581 5.074 476 1HB ASN 58 HB2 ASN 58 192.086 4.119 5.570 477 2HB ASN 58 HB1 ASN 58 193.661 4.334 6.326 478 1HD2 ASN 58 HD21 ASN 58 191.572 5.466 4.009 479 2HD2 ASN 58 HD22 ASN 58 192.675 6.432 3.096 480 H GLY 59 HN GLY 59 191.883 0.883 4.274 481 1HA GLY 59 HA2 GLY 59 191.873 -1.138 5.929 482 2HA GLY 59 HA1 GLY 59 191.284 0.094 7.035 483 H VAL 60 HN VAL 60 189.490 -1.576 7.083 484 HA VAL 60 HA VAL 60 187.666 -1.283 4.811 485 HB VAL 60 HB VAL 60 188.336 -3.492 6.397 486 1HG1 VAL 60 HG11 VAL 60 186.210 -4.244 7.335 487 2HG1 VAL 60 HG12 VAL 60 185.475 -2.694 6.926 488 3HG1 VAL 60 HG13 VAL 60 186.772 -2.769 8.121 489 1HG2 VAL 60 HG21 VAL 60 186.784 -2.868 4.056 490 2HG2 VAL 60 HG22 VAL 60 186.035 -4.174 4.974 491 3HG2 VAL 60 HG23 VAL 60 187.710 -4.317 4.438 492 H LEU 61 HN LEU 61 185.954 -0.001 4.908 493 HA LEU 61 HA LEU 61 185.288 1.271 7.450 494 1HB LEU 61 HB2 LEU 61 184.094 1.922 4.768 495 2HB LEU 61 HB1 LEU 61 184.181 2.939 6.193 496 HG LEU 61 HG LEU 61 186.692 2.067 4.811 497 1HD1 LEU 61 HD11 LEU 61 186.603 4.145 3.495 498 2HD1 LEU 61 HD12 LEU 61 184.951 4.407 4.053 499 3HD1 LEU 61 HD13 LEU 61 185.332 3.007 3.049 500 1HD2 LEU 61 HD21 LEU 61 185.906 4.411 6.531 501 2HD2 LEU 61 HD22 LEU 61 187.463 4.259 5.717 502 3HD2 LEU 61 HD23 LEU 61 186.995 3.089 6.950 503 H VAL 62 HN VAL 62 183.744 0.400 8.653 504 HA VAL 62 HA VAL 62 181.792 -1.385 7.460 505 HB VAL 62 HB VAL 62 182.709 -0.808 10.230 506 1HG1 VAL 62 HG11 VAL 62 179.917 -1.630 9.543 507 2HG1 VAL 62 HG12 VAL 62 180.480 -0.508 10.780 508 3HG1 VAL 62 HG13 VAL 62 180.688 -2.245 11.003 509 1HG2 VAL 62 HG21 VAL 62 181.828 -3.492 9.453 510 2HG2 VAL 62 HG22 VAL 62 183.343 -2.959 10.185 511 3HG2 VAL 62 HG23 VAL 62 183.109 -2.823 8.443 512 H ALA 63 HN ALA 63 180.243 -0.305 6.399 513 HA ALA 63 HA ALA 63 179.009 2.047 7.603 514 1HB ALA 63 HB1 ALA 63 178.031 0.987 5.021 515 2HB ALA 63 HB2 ALA 63 179.685 1.597 5.061 516 3HB ALA 63 HB3 ALA 63 178.347 2.649 5.520 517 H SER 64 HN SER 64 178.183 0.528 9.342 518 HA SER 64 HA SER 64 175.934 -1.127 8.552 519 1HB SER 64 HB2 SER 64 176.825 -0.533 11.371 520 2HB SER 64 HB1 SER 64 175.890 -1.912 10.794 521 HG SER 64 HG SER 64 177.880 -2.725 10.918 522 H GLY 65 HN GLY 65 174.022 -0.224 8.204 523 1HA GLY 65 HA2 GLY 65 173.191 1.991 9.976 524 2HA GLY 65 HA1 GLY 65 172.843 1.993 8.252 525 H LYS 66 HN LYS 66 171.395 1.633 11.086 526 HA LYS 66 HA LYS 66 169.537 -0.431 10.101 527 1HB LYS 66 HB2 LYS 66 170.945 -0.427 12.484 528 2HB LYS 66 HB1 LYS 66 169.356 0.160 12.955 529 1HG LYS 66 HG2 LYS 66 168.714 -1.958 11.363 530 2HG LYS 66 HG1 LYS 66 170.207 -2.509 12.123 531 1HD LYS 66 HD2 LYS 66 168.343 -3.188 13.484 532 2HD LYS 66 HD1 LYS 66 169.236 -1.925 14.332 533 1HE LYS 66 HE2 LYS 66 167.038 -1.008 12.594 534 2HE LYS 66 HE1 LYS 66 166.556 -1.927 14.018 535 1HZ LYS 66 HZ1 LYS 66 168.446 -0.139 14.911 536 2HZ LYS 66 HZ2 LYS 66 166.774 -0.049 15.151 537 3HZ LYS 66 HZ3 LYS 66 167.484 0.753 13.842 538 H HIS 67 HN HIS 67 167.573 0.265 9.572 539 HA HIS 67 HA HIS 67 166.052 2.066 11.109 540 1HB HIS 67 HB2 HIS 67 167.857 3.553 9.920 541 2HB HIS 67 HB1 HIS 67 166.814 3.356 8.515 542 HD1 HIS 67 HD1 HIS 67 166.623 4.618 12.090 543 HD2 HIS 67 HD2 HIS 67 164.709 5.077 8.433 544 HE1 HIS 67 HE1 HIS 67 164.962 6.475 12.429 545 HE2 HIS 67 HE2 HIS 67 163.748 6.666 10.230 546 H GLU 68 HN GLU 68 163.924 2.212 10.408 547 HA GLU 68 HA GLU 68 163.025 0.135 8.714 548 1HB GLU 68 HB2 GLU 68 161.692 1.005 10.588 549 2HB GLU 68 HB1 GLU 68 161.520 2.542 9.753 550 1HG GLU 68 HG2 GLU 68 160.665 0.190 8.219 551 2HG GLU 68 HG1 GLU 68 159.716 0.533 9.665 552 H ASP 69 HN ASP 69 163.402 3.617 8.242 553 HA ASP 69 HA ASP 69 162.183 3.667 5.671 554 1HB ASP 69 HB2 ASP 69 163.067 5.579 7.468 555 2HB ASP 69 HB1 ASP 69 164.189 5.740 6.121 556 H MET 70 HN MET 70 163.081 3.590 3.643 557 HA MET 70 HA MET 70 165.421 2.023 3.365 558 1HB MET 70 HB2 MET 70 164.436 1.572 1.424 559 2HB MET 70 HB1 MET 70 163.246 2.821 1.730 560 1HG MET 70 HG2 MET 70 165.797 3.801 0.646 561 2HG MET 70 HG1 MET 70 164.902 2.718 -0.411 562 1HE MET 70 HE1 MET 70 162.357 2.952 -0.779 563 2HE MET 70 HE2 MET 70 161.496 4.490 -0.829 564 3HE MET 70 HE3 MET 70 161.751 3.672 0.713 565 H TYR 71 HN TYR 71 164.800 5.370 2.239 566 HA TYR 71 HA TYR 71 167.463 5.890 1.559 567 1HB TYR 71 HB2 TYR 71 165.058 7.566 2.050 568 2HB TYR 71 HB1 TYR 71 166.617 8.375 2.068 569 HD1 TYR 71 HD1 TYR 71 164.586 9.144 0.133 570 HD2 TYR 71 HD2 TYR 71 167.511 6.063 -0.124 571 HE1 TYR 71 HE1 TYR 71 164.538 9.304 -2.319 572 HE2 TYR 71 HE2 TYR 71 167.471 6.217 -2.568 573 HH TYR 71 HH TYR 71 166.782 8.278 -4.275 574 H THR 72 HN THR 72 165.707 6.660 4.561 575 HA THR 72 HA THR 72 167.757 7.987 5.883 576 HB THR 72 HB THR 72 165.782 6.095 7.162 577 HG1 THR 72 HG1 THR 72 164.689 7.613 5.895 578 1HG2 THR 72 HG21 THR 72 165.911 7.593 9.083 579 2HG2 THR 72 HG22 THR 72 167.171 8.519 8.267 580 3HG2 THR 72 HG23 THR 72 167.467 6.843 8.725 581 H ALA 73 HN ALA 73 167.188 4.548 5.451 582 HA ALA 73 HA ALA 73 169.118 3.574 7.249 583 1HB ALA 73 HB1 ALA 73 168.997 1.494 5.981 584 2HB ALA 73 HB2 ALA 73 168.167 2.329 4.668 585 3HB ALA 73 HB3 ALA 73 167.385 2.160 6.239 586 H ILE 74 HN ILE 74 169.360 3.812 3.694 587 HA ILE 74 HA ILE 74 172.165 3.440 3.662 588 HB ILE 74 HB ILE 74 171.909 4.608 1.318 589 1HG1 ILE 74 HG12 ILE 74 169.323 4.976 2.250 590 2HG1 ILE 74 HG11 ILE 74 169.847 5.100 0.581 591 1HG2 ILE 74 HG21 ILE 74 172.509 2.354 1.431 592 2HG2 ILE 74 HG22 ILE 74 171.060 2.382 0.426 593 3HG2 ILE 74 HG23 ILE 74 170.954 1.880 2.113 594 1HD1 ILE 74 HD11 ILE 74 168.795 2.591 1.859 595 2HD1 ILE 74 HD12 ILE 74 169.209 2.819 0.161 596 3HD1 ILE 74 HD13 ILE 74 167.851 3.700 0.863 597 H ASN 75 HN ASN 75 170.277 6.139 4.498 598 HA ASN 75 HA ASN 75 172.205 8.138 3.713 599 1HB ASN 75 HB2 ASN 75 169.545 8.119 5.019 600 2HB ASN 75 HB1 ASN 75 170.613 9.449 5.457 601 1HD2 ASN 75 HD21 ASN 75 168.119 9.473 3.955 602 2HD2 ASN 75 HD22 ASN 75 168.488 10.187 2.426 603 H GLU 76 HN GLU 76 171.274 6.435 6.653 604 HA GLU 76 HA GLU 76 173.021 7.933 8.357 605 1HB GLU 76 HB2 GLU 76 171.518 5.343 8.716 606 2HB GLU 76 HB1 GLU 76 172.545 6.023 9.969 607 1HG GLU 76 HG2 GLU 76 171.155 8.101 9.854 608 2HG GLU 76 HG1 GLU 76 170.057 7.224 8.789 609 H LEU 77 HN LEU 77 173.232 4.928 6.549 610 HA LEU 77 HA LEU 77 175.675 4.071 7.732 611 1HB LEU 77 HB2 LEU 77 175.096 2.184 6.726 612 2HB LEU 77 HB1 LEU 77 173.766 3.010 5.946 613 HG LEU 77 HG LEU 77 176.518 3.000 4.732 614 1HD1 LEU 77 HD11 LEU 77 174.661 1.100 3.573 615 2HD1 LEU 77 HD12 LEU 77 175.079 0.694 5.237 616 3HD1 LEU 77 HD13 LEU 77 176.351 0.896 4.034 617 1HD2 LEU 77 HD21 LEU 77 174.447 2.919 2.833 618 2HD2 LEU 77 HD22 LEU 77 175.501 4.274 3.228 619 3HD2 LEU 77 HD23 LEU 77 173.958 4.089 4.057 620 H ILE 78 HN ILE 78 174.885 5.834 4.742 621 HA ILE 78 HA ILE 78 177.508 5.927 3.721 622 HB ILE 78 HB ILE 78 176.735 8.039 2.533 623 1HG1 ILE 78 HG12 ILE 78 173.994 7.814 2.679 624 2HG1 ILE 78 HG11 ILE 78 174.484 7.601 4.353 625 1HG2 ILE 78 HG21 ILE 78 176.003 6.739 0.870 626 2HG2 ILE 78 HG22 ILE 78 174.707 6.048 1.841 627 3HG2 ILE 78 HG23 ILE 78 176.344 5.408 1.973 628 1HD1 ILE 78 HD11 ILE 78 174.060 9.899 4.041 629 2HD1 ILE 78 HD12 ILE 78 175.019 9.945 2.562 630 3HD1 ILE 78 HD13 ILE 78 175.812 9.717 4.121 631 H ASN 79 HN ASN 79 175.734 8.147 5.848 632 HA ASN 79 HA ASN 79 177.667 10.150 6.029 633 1HB ASN 79 HB2 ASN 79 176.046 11.061 7.273 634 2HB ASN 79 HB1 ASN 79 175.192 9.524 7.282 635 1HD2 ASN 79 HD21 ASN 79 175.225 8.268 9.092 636 2HD2 ASN 79 HD22 ASN 79 175.907 8.778 10.594 637 H LYS 80 HN LYS 80 177.233 7.229 8.000 638 HA LYS 80 HA LYS 80 179.269 7.670 9.850 639 1HB LYS 80 HB2 LYS 80 178.418 5.005 8.707 640 2HB LYS 80 HB1 LYS 80 179.239 5.267 10.238 641 1HG LYS 80 HG2 LYS 80 176.758 6.775 9.989 642 2HG LYS 80 HG1 LYS 80 176.537 5.026 9.891 643 1HD LYS 80 HD2 LYS 80 177.113 4.703 12.051 644 2HD LYS 80 HD1 LYS 80 178.345 5.966 12.019 645 1HE LYS 80 HE2 LYS 80 176.923 7.545 12.754 646 2HE LYS 80 HE1 LYS 80 175.587 6.936 11.780 647 1HZ LYS 80 HZ1 LYS 80 174.906 5.532 13.420 648 2HZ LYS 80 HZ2 LYS 80 175.557 6.766 14.378 649 3HZ LYS 80 HZ3 LYS 80 176.449 5.357 14.091 650 H LEU 81 HN LEU 81 179.404 6.119 6.665 651 HA LEU 81 HA LEU 81 182.071 5.288 6.738 652 1HB LEU 81 HB2 LEU 81 180.281 6.094 4.456 653 2HB LEU 81 HB1 LEU 81 181.913 5.504 4.202 654 HG LEU 81 HG LEU 81 179.957 3.868 5.774 655 1HD1 LEU 81 HD11 LEU 81 178.619 3.955 3.948 656 2HD1 LEU 81 HD12 LEU 81 179.751 2.734 3.367 657 3HD1 LEU 81 HD13 LEU 81 179.934 4.415 2.867 658 1HD2 LEU 81 HD21 LEU 81 182.593 3.526 4.521 659 2HD2 LEU 81 HD22 LEU 81 181.470 2.186 4.288 660 3HD2 LEU 81 HD23 LEU 81 181.883 2.718 5.919 661 H GLU 82 HN GLU 82 180.658 8.326 5.560 662 HA GLU 82 HA GLU 82 182.902 9.560 4.555 663 1HB GLU 82 HB2 GLU 82 180.410 10.571 5.854 664 2HB GLU 82 HB1 GLU 82 181.706 11.710 5.515 665 1HG GLU 82 HG2 GLU 82 181.623 10.669 3.132 666 2HG GLU 82 HG1 GLU 82 180.013 10.148 3.624 667 H ARG 83 HN ARG 83 181.686 9.866 7.898 668 HA ARG 83 HA ARG 83 183.808 11.395 8.871 669 1HB ARG 83 HB2 ARG 83 182.424 11.421 10.618 670 2HB ARG 83 HB1 ARG 83 181.495 10.099 9.931 671 1HG ARG 83 HG2 ARG 83 182.904 8.480 11.044 672 2HG ARG 83 HG1 ARG 83 183.941 9.769 11.660 673 1HD ARG 83 HD2 ARG 83 181.102 9.130 12.406 674 2HD ARG 83 HD1 ARG 83 182.522 9.196 13.446 675 HE ARG 83 HE ARG 83 182.334 11.502 13.539 676 1HH1 ARG 83 HH11 ARG 83 180.027 10.197 11.264 677 2HH1 ARG 83 HH12 ARG 83 179.125 11.670 11.145 678 1HH2 ARG 83 HH21 ARG 83 181.148 13.437 13.379 679 2HH2 ARG 83 HH22 ARG 83 179.761 13.508 12.344 680 H GLN 84 HN GLN 84 183.338 7.867 9.025 681 HA GLN 84 HA GLN 84 185.753 7.266 10.307 682 1HB GLN 84 HB2 GLN 84 184.132 5.590 8.384 683 2HB GLN 84 HB1 GLN 84 185.428 4.976 9.402 684 1HG GLN 84 HG2 GLN 84 184.192 5.159 11.326 685 2HG GLN 84 HG1 GLN 84 183.155 6.423 10.667 686 1HE2 GLN 84 HE21 GLN 84 184.003 3.284 9.293 687 2HE2 GLN 84 HE22 GLN 84 182.390 2.666 9.248 688 H LEU 85 HN LEU 85 184.987 7.760 6.914 689 HA LEU 85 HA LEU 85 187.334 6.741 5.783 690 1HB LEU 85 HB2 LEU 85 185.068 8.253 4.921 691 2HB LEU 85 HB1 LEU 85 186.516 9.004 4.277 692 HG LEU 85 HG LEU 85 186.441 6.086 3.957 693 1HD1 LEU 85 HD11 LEU 85 184.032 6.772 3.678 694 2HD1 LEU 85 HD12 LEU 85 184.774 5.987 2.283 695 3HD1 LEU 85 HD13 LEU 85 184.553 7.736 2.296 696 1HD2 LEU 85 HD21 LEU 85 187.902 8.102 2.928 697 2HD2 LEU 85 HD22 LEU 85 186.686 7.917 1.664 698 3HD2 LEU 85 HD23 LEU 85 187.685 6.541 2.135 699 H ASN 86 HN ASN 86 186.552 10.117 6.628 700 HA ASN 86 HA ASN 86 188.976 11.278 5.979 701 1HB ASN 86 HB2 ASN 86 187.000 11.976 8.153 702 2HB ASN 86 HB1 ASN 86 188.383 12.989 7.750 703 1HD2 ASN 86 HD21 ASN 86 185.325 13.140 7.477 704 2HD2 ASN 86 HD22 ASN 86 185.102 13.720 5.864 705 H LYS 87 HN LYS 87 187.999 9.803 9.059 706 HA LYS 87 HA LYS 87 190.327 10.372 10.500 707 1HB LYS 87 HB2 LYS 87 188.396 9.608 11.676 708 2HB LYS 87 HB1 LYS 87 188.325 8.126 10.735 709 1HG LYS 87 HG2 LYS 87 189.186 7.951 13.115 710 2HG LYS 87 HG1 LYS 87 190.157 7.192 11.854 711 1HD LYS 87 HD2 LYS 87 191.615 9.182 11.818 712 2HD LYS 87 HD1 LYS 87 190.666 9.879 13.133 713 1HE LYS 87 HE2 LYS 87 191.654 8.596 14.685 714 2HE LYS 87 HE1 LYS 87 191.616 7.162 13.660 715 1HZ LYS 87 HZ1 LYS 87 193.473 9.049 12.650 716 2HZ LYS 87 HZ2 LYS 87 193.739 7.456 13.156 717 3HZ LYS 87 HZ3 LYS 87 193.811 8.720 14.276 718 H LEU 88 HN LEU 88 189.475 7.155 9.218 719 HA LEU 88 HA LEU 88 191.988 6.023 9.467 720 1HB LEU 88 HB2 LEU 88 189.489 5.347 8.231 721 2HB LEU 88 HB1 LEU 88 190.803 4.896 7.159 722 HG LEU 88 HG LEU 88 190.258 3.004 8.522 723 1HD1 LEU 88 HD11 LEU 88 192.682 3.592 8.072 724 2HD1 LEU 88 HD12 LEU 88 192.376 2.471 9.400 725 3HD1 LEU 88 HD13 LEU 88 192.748 4.160 9.740 726 1HD2 LEU 88 HD21 LEU 88 190.864 4.600 10.993 727 2HD2 LEU 88 HD22 LEU 88 190.112 3.010 10.866 728 3HD2 LEU 88 HD23 LEU 88 189.229 4.447 10.349 729 H GLN 89 HN GLN 89 190.866 8.300 7.131 730 HA GLN 89 HA GLN 89 192.712 7.726 5.058 731 1HB GLN 89 HB2 GLN 89 190.692 9.056 4.674 732 2HB GLN 89 HB1 GLN 89 191.306 10.317 5.735 733 1HG GLN 89 HG2 GLN 89 191.643 11.001 3.479 734 2HG GLN 89 HG1 GLN 89 193.215 10.618 4.179 735 1HE2 GLN 89 HE21 GLN 89 190.593 9.111 2.330 736 2HE2 GLN 89 HE22 GLN 89 191.621 8.163 1.315 737 H HIS 90 HN HIS 90 192.786 9.965 7.803 738 HA HIS 90 HA HIS 90 195.160 11.292 7.199 739 1HB HIS 90 HB2 HIS 90 193.802 10.654 9.811 740 2HB HIS 90 HB1 HIS 90 195.308 11.563 9.754 741 HD1 HIS 90 HD1 HIS 90 193.703 13.449 10.871 742 HD2 HIS 90 HD2 HIS 90 193.045 12.558 6.867 743 HE1 HIS 90 HE1 HIS 90 192.369 15.377 9.965 744 HE2 HIS 90 HE2 HIS 90 191.909 14.776 7.561 745 H LYS 91 HN LYS 91 196.808 10.012 6.468 746 HA LYS 91 HA LYS 91 198.537 8.850 8.338 747 1HB LYS 91 HB2 LYS 91 196.448 7.100 7.434 748 2HB LYS 91 HB1 LYS 91 197.993 6.508 6.841 749 1HG LYS 91 HG2 LYS 91 198.878 6.492 9.104 750 2HG LYS 91 HG1 LYS 91 197.353 7.137 9.716 751 1HD LYS 91 HD2 LYS 91 197.154 4.690 8.082 752 2HD LYS 91 HD1 LYS 91 197.950 4.508 9.646 753 1HE LYS 91 HE2 LYS 91 195.432 6.055 9.616 754 2HE LYS 91 HE1 LYS 91 195.293 4.324 9.306 755 1HZ LYS 91 HZ1 LYS 91 195.100 4.536 11.604 756 2HZ LYS 91 HZ2 LYS 91 196.342 5.679 11.715 757 3HZ LYS 91 HZ3 LYS 91 196.708 4.060 11.384 758 H GLY 92 HN GLY 92 197.720 7.587 5.119 759 1HA GLY 92 HA2 GLY 92 199.808 9.099 3.833 760 2HA GLY 92 HA1 GLY 92 200.222 7.408 4.067 761 H GLU 93 HN GLU 93 199.450 9.274 1.701 762 HA GLU 93 HA GLU 93 197.378 7.533 0.547 763 1HB GLU 93 HB2 GLU 93 196.835 9.942 0.634 764 2HB GLU 93 HB1 GLU 93 198.257 10.286 -0.341 765 1HG GLU 93 HG2 GLU 93 196.151 10.286 -1.626 766 2HG GLU 93 HG1 GLU 93 197.332 9.118 -2.215 767 H ALA 94 HN ALA 94 197.782 6.340 -1.221 768 HA ALA 94 HA ALA 94 200.006 6.882 -2.967 769 1HB ALA 94 HB1 ALA 94 200.728 4.343 -2.478 770 2HB ALA 94 HB2 ALA 94 200.184 4.813 -0.867 771 3HB ALA 94 HB3 ALA 94 201.458 5.730 -1.671 772 H ARG 95 HN ARG 95 199.498 6.241 -4.969 773 HA ARG 95 HA ARG 95 197.009 5.003 -5.506 774 1HB ARG 95 HB2 ARG 95 198.028 6.600 -7.055 775 2HB ARG 95 HB1 ARG 95 199.362 5.492 -7.341 776 1HG ARG 95 HG2 ARG 95 197.558 5.582 -9.109 777 2HG ARG 95 HG1 ARG 95 197.999 3.980 -8.515 778 1HD ARG 95 HD2 ARG 95 196.056 3.987 -7.038 779 2HD ARG 95 HD1 ARG 95 195.623 5.599 -7.599 780 HE ARG 95 HE ARG 95 195.319 3.096 -9.055 781 1HH1 ARG 95 HH11 ARG 95 195.125 6.585 -9.105 782 2HH1 ARG 95 HH12 ARG 95 194.105 6.629 -10.502 783 1HH2 ARG 95 HH21 ARG 95 193.981 3.159 -10.893 784 2HH2 ARG 95 HH22 ARG 95 193.456 4.688 -11.516 785 H ARG 96 HN ARG 96 197.349 3.075 -4.154 786 HA ARG 96 HA ARG 96 199.109 1.039 -5.265 787 1HB ARG 96 HB2 ARG 96 198.386 1.612 -2.700 788 2HB ARG 96 HB1 ARG 96 197.283 0.297 -3.075 789 1HG ARG 96 HG2 ARG 96 199.900 -0.396 -3.980 790 2HG ARG 96 HG1 ARG 96 199.987 0.145 -2.304 791 1HD ARG 96 HD2 ARG 96 197.712 -1.571 -2.674 792 2HD ARG 96 HD1 ARG 96 199.169 -2.364 -3.264 793 HE ARG 96 HE ARG 96 199.946 -2.497 -1.108 794 1HH1 ARG 96 HH11 ARG 96 197.187 -0.359 -1.207 795 2HH1 ARG 96 HH12 ARG 96 197.047 -0.259 0.515 796 1HH2 ARG 96 HH21 ARG 96 199.761 -2.363 1.159 797 2HH2 ARG 96 HH22 ARG 96 198.507 -1.395 1.857 798 H ALA 97 HN ALA 97 197.916 -1.285 -5.033 799 HA ALA 97 HA ALA 97 195.221 -1.479 -5.803 800 1HB ALA 97 HB1 ALA 97 196.988 -0.729 -7.920 801 2HB ALA 97 HB2 ALA 97 195.246 -0.998 -7.969 802 3HB ALA 97 HB3 ALA 97 196.354 -2.345 -8.235 803 H ALA 98 HN ALA 98 194.724 -3.702 -6.734 804 HA ALA 98 HA ALA 98 196.416 -5.647 -5.349 805 1HB ALA 98 HB1 ALA 98 194.477 -7.171 -5.615 806 2HB ALA 98 HB2 ALA 98 193.602 -5.861 -6.408 807 3HB ALA 98 HB3 ALA 98 194.094 -5.699 -4.721 808 H THR 99 HN THR 99 198.047 -6.213 -6.697 809 HA THR 99 HA THR 99 197.875 -6.456 -9.486 810 HB THR 99 HB THR 99 199.784 -7.913 -7.652 811 HG1 THR 99 HG1 THR 99 200.880 -6.106 -7.474 812 1HG2 THR 99 HG21 THR 99 200.976 -6.938 -10.040 813 2HG2 THR 99 HG22 THR 99 199.572 -7.919 -10.458 814 3HG2 THR 99 HG23 THR 99 200.856 -8.597 -9.453 815 H SER 100 HN SER 100 196.566 -7.799 -10.531 816 HA SER 100 HA SER 100 195.878 -10.383 -9.375 817 1HB SER 100 HB2 SER 100 194.833 -9.601 -12.043 818 2HB SER 100 HB1 SER 100 193.998 -10.338 -10.674 819 HG SER 100 HG SER 100 193.237 -8.371 -10.481 820 H VAL 101 HN VAL 101 198.487 -10.438 -9.959 821 HA VAL 101 HA VAL 101 199.262 -11.155 -12.539 822 HB VAL 101 HB VAL 101 200.659 -10.735 -10.347 823 1HG1 VAL 101 HG11 VAL 101 199.643 -13.009 -9.474 824 2HG1 VAL 101 HG12 VAL 101 201.287 -12.516 -9.068 825 3HG1 VAL 101 HG13 VAL 101 201.010 -13.685 -10.360 826 1HG2 VAL 101 HG21 VAL 101 202.460 -11.111 -11.629 827 2HG2 VAL 101 HG22 VAL 101 201.271 -11.469 -12.881 828 3HG2 VAL 101 HG23 VAL 101 202.004 -12.783 -11.961 829 H LYS 102 HN LYS 102 200.330 -13.595 -12.692 830 HA LYS 102 HA LYS 102 198.120 -15.274 -13.187 831 1HB LYS 102 HB2 LYS 102 200.300 -15.367 -14.400 832 2HB LYS 102 HB1 LYS 102 201.025 -16.074 -12.963 833 1HG LYS 102 HG2 LYS 102 200.427 -18.084 -13.660 834 2HG LYS 102 HG1 LYS 102 198.731 -17.603 -13.574 835 1HD LYS 102 HD2 LYS 102 200.206 -16.657 -15.943 836 2HD LYS 102 HD1 LYS 102 199.962 -18.402 -15.842 837 1HE LYS 102 HE2 LYS 102 198.067 -17.712 -16.968 838 2HE LYS 102 HE1 LYS 102 197.506 -17.766 -15.296 839 1HZ LYS 102 HZ1 LYS 102 198.259 -15.375 -16.878 840 2HZ LYS 102 HZ2 LYS 102 198.049 -15.334 -15.201 841 3HZ LYS 102 HZ3 LYS 102 196.751 -15.742 -16.205 842 H ASP 103 HN ASP 103 197.132 -15.142 -11.028 843 HA ASP 103 HA ASP 103 198.418 -16.695 -8.931 844 1HB ASP 103 HB2 ASP 103 197.301 -14.650 -8.257 845 2HB ASP 103 HB1 ASP 103 195.797 -15.182 -9.000 846 H ALA 104 HN ALA 104 195.036 -16.706 -10.038 847 HA ALA 104 HA ALA 104 194.817 -19.523 -9.481 848 1HB ALA 104 HB1 ALA 104 192.867 -17.518 -10.597 849 2HB ALA 104 HB2 ALA 104 192.923 -18.175 -8.962 850 3HB ALA 104 HB3 ALA 104 192.474 -19.214 -10.314 851 H ASN 105 HN ASN 105 196.443 -20.255 -11.006 852 HA ASN 105 HA ASN 105 196.027 -19.920 -13.817 853 1HB ASN 105 HB2 ASN 105 197.959 -21.245 -14.124 854 2HB ASN 105 HB1 ASN 105 198.257 -20.322 -12.658 855 1HD2 ASN 105 HD21 ASN 105 196.346 -22.168 -11.184 856 2HD2 ASN 105 HD22 ASN 105 197.285 -23.582 -10.886 857 H PHE 106 HN PHE 106 193.654 -20.677 -13.298 858 HA PHE 106 HA PHE 106 193.389 -23.576 -13.412 859 1HB PHE 106 HB2 PHE 106 191.538 -21.293 -12.909 860 2HB PHE 106 HB1 PHE 106 190.854 -22.779 -13.559 861 HD1 PHE 106 HD1 PHE 106 189.642 -23.670 -11.793 862 HD2 PHE 106 HD2 PHE 106 193.635 -22.352 -11.132 863 HE1 PHE 106 HE1 PHE 106 189.581 -24.631 -9.528 864 HE2 PHE 106 HE2 PHE 106 193.579 -23.311 -8.867 865 HZ PHE 106 HZ PHE 106 191.550 -24.453 -8.062 866 H VAL 107 HN VAL 107 194.566 -23.415 -15.563 867 HA VAL 107 HA VAL 107 192.872 -22.573 -17.779 868 HB VAL 107 HB VAL 107 195.266 -22.014 -17.856 869 1HG1 VAL 107 HG11 VAL 107 196.144 -24.735 -18.494 870 2HG1 VAL 107 HG12 VAL 107 195.693 -24.489 -16.807 871 3HG1 VAL 107 HG13 VAL 107 196.936 -23.477 -17.545 872 1HG2 VAL 107 HG21 VAL 107 193.801 -22.594 -19.913 873 2HG2 VAL 107 HG22 VAL 107 194.816 -24.034 -20.016 874 3HG2 VAL 107 HG23 VAL 107 195.546 -22.433 -20.119 875 H GLU 108 HN GLU 108 192.341 -23.995 -19.529 876 HA GLU 108 HA GLU 108 192.814 -26.751 -19.549 877 1HB GLU 108 HB2 GLU 108 191.047 -26.121 -17.542 878 2HB GLU 108 HB1 GLU 108 189.967 -26.509 -18.874 879 1HG GLU 108 HG2 GLU 108 191.432 -28.624 -19.125 880 2HG GLU 108 HG1 GLU 108 191.953 -28.252 -17.482 881 H GLU 109 HN GLU 109 190.983 -27.878 -20.915 882 HA GLU 109 HA GLU 109 190.693 -26.246 -23.295 883 1HB GLU 109 HB2 GLU 109 190.167 -28.306 -24.432 884 2HB GLU 109 HB1 GLU 109 191.560 -28.578 -23.400 885 1HG GLU 109 HG2 GLU 109 188.983 -29.177 -22.144 886 2HG GLU 109 HG1 GLU 109 189.386 -30.189 -23.529 887 H VAL 110 HN VAL 110 188.333 -27.856 -24.205 888 HA VAL 110 HA VAL 110 186.289 -26.115 -23.829 889 HB VAL 110 HB VAL 110 184.721 -28.085 -24.169 890 1HG1 VAL 110 HG11 VAL 110 185.719 -28.574 -26.479 891 2HG1 VAL 110 HG12 VAL 110 186.999 -27.452 -26.017 892 3HG1 VAL 110 HG13 VAL 110 185.325 -26.900 -26.091 893 1HG2 VAL 110 HG21 VAL 110 186.075 -29.803 -23.108 894 2HG2 VAL 110 HG22 VAL 110 187.341 -29.574 -24.315 895 3HG2 VAL 110 HG23 VAL 110 185.771 -30.217 -24.795 896 H GLU 111 HN GLU 111 185.314 -25.351 -22.084 897 HA GLU 111 HA GLU 111 185.425 -26.751 -19.569 898 1HB GLU 111 HB2 GLU 111 185.616 -24.217 -19.929 899 2HB GLU 111 HB1 GLU 111 183.869 -24.233 -20.123 900 1HG GLU 111 HG2 GLU 111 184.651 -25.659 -17.746 901 2HG GLU 111 HG1 GLU 111 185.306 -24.022 -17.751 902 H GLU 112 HN GLU 112 184.160 -28.565 -20.730 903 HA GLU 112 HA GLU 112 181.364 -28.212 -21.125 904 1HB GLU 112 HB2 GLU 112 183.210 -30.174 -21.740 905 2HB GLU 112 HB1 GLU 112 182.212 -30.944 -20.515 906 1HG GLU 112 HG2 GLU 112 181.206 -31.500 -22.542 907 2HG GLU 112 HG1 GLU 112 180.214 -30.193 -21.896 908 H GLU 113 HN GLU 113 181.076 -27.060 -19.017 909 HA GLU 113 HA GLU 113 181.268 -28.320 -16.533 910 1HB GLU 113 HB2 GLU 113 179.725 -26.626 -15.721 911 2HB GLU 113 HB1 GLU 113 180.888 -25.902 -16.824 912 1HG GLU 113 HG2 GLU 113 179.115 -26.183 -18.624 913 2HG GLU 113 HG1 GLU 113 177.991 -26.512 -17.305 Start of MODEL 4 1 1H MET 1 HT1 MET 1 187.062 -1.091 -7.111 2 2H MET 1 HT2 MET 1 186.922 -2.734 -7.586 3 3H MET 1 HT3 MET 1 185.914 -2.106 -6.347 4 HA MET 1 HA MET 1 184.691 -0.844 -7.793 5 1HB MET 1 HB2 MET 1 185.371 -0.443 -10.101 6 2HB MET 1 HB1 MET 1 186.643 0.059 -8.997 7 1HG MET 1 HG2 MET 1 188.105 -1.416 -9.812 8 2HG MET 1 HG1 MET 1 186.902 -2.700 -9.913 9 1HE MET 1 HE1 MET 1 189.290 -0.846 -12.351 10 2HE MET 1 HE2 MET 1 188.480 0.338 -11.327 11 3HE MET 1 HE3 MET 1 188.167 0.312 -13.061 12 H THR 2 HN THR 2 184.948 -3.702 -7.050 13 HA THR 2 HA THR 2 184.108 -5.195 -9.368 14 HB THR 2 HB THR 2 183.741 -6.248 -6.602 15 HG1 THR 2 HG1 THR 2 186.285 -5.991 -7.824 16 1HG2 THR 2 HG21 THR 2 183.307 -7.888 -8.171 17 2HG2 THR 2 HG22 THR 2 184.986 -8.194 -7.728 18 3HG2 THR 2 HG23 THR 2 184.611 -7.359 -9.234 19 H MET 3 HN MET 3 182.593 -3.484 -6.750 20 HA MET 3 HA MET 3 180.424 -2.972 -6.304 21 1HB MET 3 HB2 MET 3 180.533 -2.689 -8.907 22 2HB MET 3 HB1 MET 3 179.555 -4.151 -8.917 23 1HG MET 3 HG2 MET 3 177.892 -3.027 -7.505 24 2HG MET 3 HG1 MET 3 178.863 -1.557 -7.558 25 1HE MET 3 HE1 MET 3 176.634 0.103 -9.930 26 2HE MET 3 HE2 MET 3 178.343 0.342 -9.565 27 3HE MET 3 HE3 MET 3 177.218 -0.091 -8.277 28 H ASN 4 HN ASN 4 180.579 -4.692 -4.699 29 HA ASN 4 HA ASN 4 179.120 -7.136 -5.408 30 1HB ASN 4 HB2 ASN 4 181.369 -6.593 -3.710 31 2HB ASN 4 HB1 ASN 4 180.073 -7.290 -2.743 32 1HD2 ASN 4 HD21 ASN 4 181.129 -7.815 -6.088 33 2HD2 ASN 4 HD22 ASN 4 181.367 -9.519 -5.925 34 H ILE 5 HN ILE 5 177.013 -7.101 -5.020 35 HA ILE 5 HA ILE 5 176.058 -5.807 -2.554 36 HB ILE 5 HB ILE 5 174.348 -5.819 -5.015 37 1HG1 ILE 5 HG12 ILE 5 176.330 -3.647 -4.291 38 2HG1 ILE 5 HG11 ILE 5 176.493 -4.750 -5.654 39 1HG2 ILE 5 HG21 ILE 5 173.176 -4.079 -3.929 40 2HG2 ILE 5 HG22 ILE 5 174.476 -3.831 -2.763 41 3HG2 ILE 5 HG23 ILE 5 173.496 -5.296 -2.694 42 1HD1 ILE 5 HD11 ILE 5 173.973 -3.241 -5.537 43 2HD1 ILE 5 HD12 ILE 5 175.015 -3.618 -6.908 44 3HD1 ILE 5 HD13 ILE 5 175.431 -2.291 -5.824 45 H THR 6 HN THR 6 175.475 -7.477 -1.305 46 HA THR 6 HA THR 6 173.672 -9.493 -2.468 47 HB THR 6 HB THR 6 175.643 -10.129 -0.281 48 HG1 THR 6 HG1 THR 6 177.066 -9.797 -1.819 49 1HG2 THR 6 HG21 THR 6 174.098 -11.822 -2.221 50 2HG2 THR 6 HG22 THR 6 173.943 -11.776 -0.466 51 3HG2 THR 6 HG23 THR 6 175.406 -12.426 -1.206 52 H SER 7 HN SER 7 171.738 -8.998 -1.632 53 HA SER 7 HA SER 7 171.532 -8.076 1.127 54 1HB SER 7 HB2 SER 7 169.675 -8.095 -1.225 55 2HB SER 7 HB1 SER 7 169.032 -7.896 0.406 56 HG SER 7 HG SER 7 170.440 -6.104 0.643 57 H LYS 8 HN LYS 8 170.193 -9.043 2.673 58 HA LYS 8 HA LYS 8 169.828 -11.929 2.264 59 1HB LYS 8 HB2 LYS 8 171.208 -10.807 4.206 60 2HB LYS 8 HB1 LYS 8 169.624 -10.616 4.942 61 1HG LYS 8 HG2 LYS 8 169.275 -12.942 5.041 62 2HG LYS 8 HG1 LYS 8 170.619 -13.266 3.945 63 1HD LYS 8 HD2 LYS 8 172.147 -12.301 5.686 64 2HD LYS 8 HD1 LYS 8 170.764 -12.258 6.783 65 1HE LYS 8 HE2 LYS 8 172.295 -14.277 6.955 66 2HE LYS 8 HE1 LYS 8 170.570 -14.603 6.798 67 1HZ LYS 8 HZ1 LYS 8 170.825 -15.252 4.586 68 2HZ LYS 8 HZ2 LYS 8 172.150 -15.955 5.367 69 3HZ LYS 8 HZ3 LYS 8 172.360 -14.553 4.445 70 H GLN 9 HN GLN 9 167.871 -12.883 2.422 71 HA GLN 9 HA GLN 9 165.602 -13.069 2.319 72 1HB GLN 9 HB2 GLN 9 165.135 -11.050 4.422 73 2HB GLN 9 HB1 GLN 9 164.550 -12.697 4.298 74 1HG GLN 9 HG2 GLN 9 165.933 -13.110 5.989 75 2HG GLN 9 HG1 GLN 9 167.191 -13.115 4.757 76 1HE2 GLN 9 HE21 GLN 9 165.522 -10.199 5.774 77 2HE2 GLN 9 HE22 GLN 9 166.875 -9.479 6.563 78 H MET 10 HN MET 10 166.911 -10.865 0.789 79 HA MET 10 HA MET 10 164.607 -9.702 -0.308 80 1HB MET 10 HB2 MET 10 164.489 -8.388 1.717 81 2HB MET 10 HB1 MET 10 166.180 -7.933 1.573 82 1HG MET 10 HG2 MET 10 164.843 -6.080 0.908 83 2HG MET 10 HG1 MET 10 165.623 -6.738 -0.529 84 1HE MET 10 HE1 MET 10 161.352 -7.252 0.842 85 2HE MET 10 HE2 MET 10 161.809 -5.574 0.546 86 3HE MET 10 HE3 MET 10 162.728 -6.550 1.693 87 H GLU 11 HN GLU 11 165.071 -8.326 -2.107 88 HA GLU 11 HA GLU 11 167.859 -8.560 -3.018 89 1HB GLU 11 HB2 GLU 11 165.234 -8.560 -4.472 90 2HB GLU 11 HB1 GLU 11 166.713 -8.121 -5.315 91 1HG GLU 11 HG2 GLU 11 167.675 -10.263 -4.894 92 2HG GLU 11 HG1 GLU 11 166.347 -10.705 -3.822 93 H ILE 12 HN ILE 12 168.466 -6.804 -4.657 94 HA ILE 12 HA ILE 12 168.097 -4.259 -3.352 95 HB ILE 12 HB ILE 12 169.551 -4.592 -5.952 96 1HG1 ILE 12 HG12 ILE 12 170.434 -6.408 -4.669 97 2HG1 ILE 12 HG11 ILE 12 171.602 -5.097 -4.570 98 1HG2 ILE 12 HG21 ILE 12 170.607 -2.971 -3.728 99 2HG2 ILE 12 HG22 ILE 12 169.095 -2.416 -4.447 100 3HG2 ILE 12 HG23 ILE 12 170.528 -2.621 -5.455 101 1HD1 ILE 12 HD11 ILE 12 170.295 -6.491 -2.471 102 2HD1 ILE 12 HD12 ILE 12 169.835 -4.789 -2.399 103 3HD1 ILE 12 HD13 ILE 12 171.539 -5.243 -2.371 104 H THR 13 HN THR 13 166.697 -2.727 -3.891 105 HA THR 13 HA THR 13 165.080 -3.083 -6.297 106 HB THR 13 HB THR 13 163.424 -1.838 -5.269 107 HG1 THR 13 HG1 THR 13 163.840 -0.012 -4.349 108 1HG2 THR 13 HG21 THR 13 164.565 -2.348 -2.619 109 2HG2 THR 13 HG22 THR 13 164.467 -3.753 -3.680 110 3HG2 THR 13 HG23 THR 13 163.014 -2.827 -3.307 111 HA PRO 14 HA PRO 14 166.833 0.076 -8.800 112 1HB PRO 14 HB2 PRO 14 164.600 1.712 -9.236 113 2HB PRO 14 HB1 PRO 14 165.080 0.324 -10.215 114 1HG PRO 14 HG2 PRO 14 163.048 0.500 -8.042 115 2HG PRO 14 HG1 PRO 14 163.018 -0.454 -9.537 116 1HD PRO 14 HD2 PRO 14 163.531 -1.598 -7.175 117 2HD PRO 14 HD1 PRO 14 164.381 -2.117 -8.647 118 H ALA 15 HN ALA 15 164.597 1.304 -6.328 119 HA ALA 15 HA ALA 15 165.669 3.904 -6.182 120 1HB ALA 15 HB1 ALA 15 163.462 2.842 -5.208 121 2HB ALA 15 HB2 ALA 15 164.203 4.257 -4.466 122 3HB ALA 15 HB3 ALA 15 164.461 2.659 -3.767 123 H ILE 16 HN ILE 16 166.340 0.965 -4.310 124 HA ILE 16 HA ILE 16 168.207 2.179 -2.555 125 HB ILE 16 HB ILE 16 168.022 -0.739 -3.311 126 1HG1 ILE 16 HG12 ILE 16 166.643 0.794 -1.093 127 2HG1 ILE 16 HG11 ILE 16 165.863 0.122 -2.520 128 1HG2 ILE 16 HG21 ILE 16 169.529 -1.187 -1.717 129 2HG2 ILE 16 HG22 ILE 16 168.836 -0.013 -0.600 130 3HG2 ILE 16 HG23 ILE 16 169.963 0.517 -1.847 131 1HD1 ILE 16 HD11 ILE 16 165.385 -1.495 -0.998 132 2HD1 ILE 16 HD12 ILE 16 166.878 -1.240 -0.093 133 3HD1 ILE 16 HD13 ILE 16 166.913 -2.115 -1.624 134 H ARG 17 HN ARG 17 168.668 0.102 -5.427 135 HA ARG 17 HA ARG 17 171.441 0.109 -5.453 136 1HB ARG 17 HB2 ARG 17 171.327 -0.649 -7.686 137 2HB ARG 17 HB1 ARG 17 169.869 -1.250 -6.913 138 1HG ARG 17 HG2 ARG 17 168.663 -0.327 -8.512 139 2HG ARG 17 HG1 ARG 17 169.229 1.266 -8.012 140 1HD ARG 17 HD2 ARG 17 170.150 1.407 -10.042 141 2HD ARG 17 HD1 ARG 17 171.356 0.269 -9.447 142 HE ARG 17 HE ARG 17 168.983 -0.969 -10.515 143 1HH1 ARG 17 HH11 ARG 17 172.163 0.270 -11.252 144 2HH1 ARG 17 HH12 ARG 17 172.343 -0.693 -12.679 145 1HH2 ARG 17 HH21 ARG 17 169.220 -2.234 -12.394 146 2HH2 ARG 17 HH22 ARG 17 170.672 -2.114 -13.328 147 H GLN 18 HN GLN 18 169.208 2.605 -6.383 148 HA GLN 18 HA GLN 18 171.031 4.169 -7.908 149 1HB GLN 18 HB2 GLN 18 168.296 4.294 -7.201 150 2HB GLN 18 HB1 GLN 18 169.024 5.791 -6.634 151 1HG GLN 18 HG2 GLN 18 168.102 5.951 -8.912 152 2HG GLN 18 HG1 GLN 18 169.827 6.303 -8.834 153 1HE2 GLN 18 HE21 GLN 18 170.495 5.736 -10.810 154 2HE2 GLN 18 HE22 GLN 18 170.321 4.162 -11.500 155 H HIS 19 HN HIS 19 169.760 4.585 -4.597 156 HA HIS 19 HA HIS 19 171.288 6.730 -3.790 157 1HB HIS 19 HB2 HIS 19 169.740 4.655 -2.509 158 2HB HIS 19 HB1 HIS 19 171.171 5.019 -1.555 159 HD1 HIS 19 HD1 HIS 19 171.261 7.293 -0.381 160 HD2 HIS 19 HD2 HIS 19 167.874 6.760 -2.715 161 HE1 HIS 19 HE1 HIS 19 169.703 9.167 0.237 162 HE2 HIS 19 HE2 HIS 19 167.636 8.780 -1.134 163 H VAL 20 HN VAL 20 172.113 3.288 -3.298 164 HA VAL 20 HA VAL 20 174.665 3.704 -2.244 165 HB VAL 20 HB VAL 20 175.163 1.373 -3.120 166 1HG1 VAL 20 HG11 VAL 20 174.209 0.513 -1.269 167 2HG1 VAL 20 HG12 VAL 20 172.609 1.132 -1.677 168 3HG1 VAL 20 HG13 VAL 20 173.806 2.199 -0.940 169 1HG2 VAL 20 HG21 VAL 20 172.584 0.469 -3.647 170 2HG2 VAL 20 HG22 VAL 20 173.905 0.635 -4.803 171 3HG2 VAL 20 HG23 VAL 20 172.745 1.946 -4.597 172 H ALA 21 HN ALA 21 173.517 3.702 -5.541 173 HA ALA 21 HA ALA 21 176.028 3.461 -6.826 174 1HB ALA 21 HB1 ALA 21 173.279 4.017 -7.602 175 2HB ALA 21 HB2 ALA 21 174.545 3.143 -8.464 176 3HB ALA 21 HB3 ALA 21 174.458 4.902 -8.572 177 H ASP 22 HN ASP 22 173.980 6.339 -6.279 178 HA ASP 22 HA ASP 22 175.848 8.215 -7.186 179 1HB ASP 22 HB2 ASP 22 174.515 9.814 -5.649 180 2HB ASP 22 HB1 ASP 22 173.667 9.038 -6.981 181 H ARG 23 HN ARG 23 175.441 6.684 -4.061 182 HA ARG 23 HA ARG 23 177.205 8.404 -2.634 183 1HB ARG 23 HB2 ARG 23 175.509 7.002 -1.518 184 2HB ARG 23 HB1 ARG 23 176.381 5.560 -2.019 185 1HG ARG 23 HG2 ARG 23 178.277 6.189 -0.659 186 2HG ARG 23 HG1 ARG 23 177.488 7.703 -0.216 187 1HD ARG 23 HD2 ARG 23 177.313 5.972 1.538 188 2HD ARG 23 HD1 ARG 23 175.744 6.511 0.941 189 HE ARG 23 HE ARG 23 175.348 4.388 0.202 190 1HH1 ARG 23 HH11 ARG 23 178.777 4.750 0.738 191 2HH1 ARG 23 HH12 ARG 23 179.124 3.077 0.458 192 1HH2 ARG 23 HH21 ARG 23 175.801 2.187 -0.165 193 2HH2 ARG 23 HH22 ARG 23 177.436 1.621 -0.056 194 H LEU 24 HN LEU 24 177.590 5.175 -4.074 195 HA LEU 24 HA LEU 24 180.278 4.795 -3.395 196 1HB LEU 24 HB2 LEU 24 178.729 3.047 -4.270 197 2HB LEU 24 HB1 LEU 24 178.862 3.776 -5.858 198 HG LEU 24 HG LEU 24 181.208 3.217 -5.985 199 1HD1 LEU 24 HD11 LEU 24 182.078 1.690 -4.073 200 2HD1 LEU 24 HD12 LEU 24 180.830 2.485 -3.114 201 3HD1 LEU 24 HD13 LEU 24 182.103 3.441 -3.869 202 1HD2 LEU 24 HD21 LEU 24 179.197 1.450 -6.193 203 2HD2 LEU 24 HD22 LEU 24 180.165 0.660 -4.947 204 3HD2 LEU 24 HD23 LEU 24 180.885 1.045 -6.511 205 H ALA 25 HN ALA 25 178.776 6.589 -5.989 206 HA ALA 25 HA ALA 25 181.098 6.918 -7.590 207 1HB ALA 25 HB1 ALA 25 179.031 7.277 -8.662 208 2HB ALA 25 HB2 ALA 25 179.776 8.871 -8.545 209 3HB ALA 25 HB3 ALA 25 178.493 8.412 -7.425 210 H LYS 26 HN LYS 26 179.593 8.871 -5.045 211 HA LYS 26 HA LYS 26 181.274 11.103 -5.219 212 1HB LYS 26 HB2 LYS 26 179.358 10.015 -3.295 213 2HB LYS 26 HB1 LYS 26 180.661 10.912 -2.529 214 1HG LYS 26 HG2 LYS 26 179.718 12.385 -4.783 215 2HG LYS 26 HG1 LYS 26 178.346 11.917 -3.778 216 1HD LYS 26 HD2 LYS 26 180.549 12.838 -2.154 217 2HD LYS 26 HD1 LYS 26 180.107 14.047 -3.360 218 1HE LYS 26 HE2 LYS 26 178.747 14.554 -1.535 219 2HE LYS 26 HE1 LYS 26 177.692 13.631 -2.603 220 1HZ LYS 26 HZ1 LYS 26 177.757 11.800 -1.229 221 2HZ LYS 26 HZ2 LYS 26 177.768 13.062 -0.104 222 3HZ LYS 26 HZ3 LYS 26 179.206 12.257 -0.484 223 H LEU 27 HN LEU 27 181.645 8.038 -3.523 224 HA LEU 27 HA LEU 27 183.870 8.662 -1.954 225 1HB LEU 27 HB2 LEU 27 182.378 6.358 -2.607 226 2HB LEU 27 HB1 LEU 27 184.052 5.968 -2.942 227 HG LEU 27 HG LEU 27 183.612 5.280 -0.713 228 1HD1 LEU 27 HD11 LEU 27 184.897 7.830 -0.002 229 2HD1 LEU 27 HD12 LEU 27 185.647 6.935 -1.326 230 3HD1 LEU 27 HD13 LEU 27 185.441 6.171 0.250 231 1HD2 LEU 27 HD21 LEU 27 182.963 7.365 0.870 232 2HD2 LEU 27 HD22 LEU 27 181.785 6.248 0.179 233 3HD2 LEU 27 HD23 LEU 27 182.093 7.799 -0.603 234 H GLU 28 HN GLU 28 183.594 8.070 -5.359 235 HA GLU 28 HA GLU 28 186.118 7.228 -6.067 236 1HB GLU 28 HB2 GLU 28 184.209 7.528 -7.627 237 2HB GLU 28 HB1 GLU 28 184.453 9.267 -7.551 238 1HG GLU 28 HG2 GLU 28 185.414 8.236 -9.567 239 2HG GLU 28 HG1 GLU 28 186.612 9.067 -8.575 240 H LYS 29 HN LYS 29 185.058 10.477 -5.209 241 HA LYS 29 HA LYS 29 187.646 11.618 -5.826 242 1HB LYS 29 HB2 LYS 29 185.681 12.979 -6.234 243 2HB LYS 29 HB1 LYS 29 185.174 12.811 -4.558 244 1HG LYS 29 HG2 LYS 29 186.346 14.599 -3.989 245 2HG LYS 29 HG1 LYS 29 187.823 13.867 -4.619 246 1HD LYS 29 HD2 LYS 29 185.820 15.205 -6.418 247 2HD LYS 29 HD1 LYS 29 187.100 16.112 -5.610 248 1HE LYS 29 HE2 LYS 29 187.595 13.714 -7.363 249 2HE LYS 29 HE1 LYS 29 187.632 15.376 -7.948 250 1HZ LYS 29 HZ1 LYS 29 189.790 15.235 -7.419 251 2HZ LYS 29 HZ2 LYS 29 189.573 13.931 -6.364 252 3HZ LYS 29 HZ3 LYS 29 189.269 15.508 -5.831 253 H TRP 30 HN TRP 30 185.917 10.448 -3.027 254 HA TRP 30 HA TRP 30 187.309 11.646 -0.961 255 1HB TRP 30 HB2 TRP 30 185.969 9.001 -1.299 256 2HB TRP 30 HB1 TRP 30 186.998 9.223 0.110 257 HD1 TRP 30 HD1 TRP 30 183.766 10.577 -1.470 258 HE1 TRP 30 HE1 TRP 30 182.382 11.727 0.372 259 HE3 TRP 30 HE3 TRP 30 187.154 10.357 2.352 260 HZ2 TRP 30 HZ2 TRP 30 182.686 12.445 3.087 261 HZ3 TRP 30 HZ3 TRP 30 186.531 11.299 4.536 262 HH2 TRP 30 HH2 TRP 30 184.343 12.323 4.895 263 H GLN 31 HN GLN 31 189.032 10.627 0.427 264 HA GLN 31 HA GLN 31 191.329 10.098 -1.174 265 1HB GLN 31 HB2 GLN 31 191.172 11.258 1.121 266 2HB GLN 31 HB1 GLN 31 191.185 9.630 1.775 267 1HG GLN 31 HG2 GLN 31 193.376 9.422 1.491 268 2HG GLN 31 HG1 GLN 31 193.299 10.039 -0.158 269 1HE2 GLN 31 HE21 GLN 31 192.418 11.586 2.895 270 2HE2 GLN 31 HE22 GLN 31 193.536 12.897 2.758 271 H THR 32 HN THR 32 189.974 8.207 -2.115 272 HA THR 32 HA THR 32 191.289 5.806 -1.407 273 HB THR 32 HB THR 32 189.816 5.636 0.446 274 HG1 THR 32 HG1 THR 32 188.566 3.811 -0.136 275 1HG2 THR 32 HG21 THR 32 187.509 5.954 0.463 276 2HG2 THR 32 HG22 THR 32 187.402 5.926 -1.297 277 3HG2 THR 32 HG23 THR 32 188.134 7.306 -0.478 278 H HIS 33 HN HIS 33 190.258 3.878 -2.606 279 HA HIS 33 HA HIS 33 189.082 4.826 -5.136 280 1HB HIS 33 HB2 HIS 33 190.991 2.505 -5.004 281 2HB HIS 33 HB1 HIS 33 190.504 3.449 -6.407 282 HD1 HIS 33 HD1 HIS 33 192.362 4.860 -7.199 283 HD2 HIS 33 HD2 HIS 33 192.399 4.458 -3.062 284 HE1 HIS 33 HE1 HIS 33 194.335 6.207 -6.410 285 HE2 HIS 33 HE2 HIS 33 194.287 6.016 -3.897 286 H LEU 34 HN LEU 34 189.114 2.427 -2.629 287 HA LEU 34 HA LEU 34 187.693 0.736 -2.101 288 1HB LEU 34 HB2 LEU 34 185.955 2.015 -4.213 289 2HB LEU 34 HB1 LEU 34 185.430 0.749 -3.120 290 HG LEU 34 HG LEU 34 184.603 2.789 -2.243 291 1HD1 LEU 34 HD11 LEU 34 186.967 2.650 -0.493 292 2HD1 LEU 34 HD12 LEU 34 186.128 1.125 -0.771 293 3HD1 LEU 34 HD13 LEU 34 185.253 2.503 -0.107 294 1HD2 LEU 34 HD21 LEU 34 185.704 4.791 -2.161 295 2HD2 LEU 34 HD22 LEU 34 186.469 4.076 -3.581 296 3HD2 LEU 34 HD23 LEU 34 187.292 4.039 -2.023 297 H ILE 35 HN ILE 35 188.057 -1.316 -2.579 298 HA ILE 35 HA ILE 35 188.412 -2.059 -5.407 299 HB ILE 35 HB ILE 35 189.390 -3.659 -3.053 300 1HG1 ILE 35 HG12 ILE 35 190.356 -1.368 -2.985 301 2HG1 ILE 35 HG11 ILE 35 191.561 -2.612 -3.293 302 1HG2 ILE 35 HG21 ILE 35 189.651 -5.095 -4.765 303 2HG2 ILE 35 HG22 ILE 35 191.092 -4.133 -5.094 304 3HG2 ILE 35 HG23 ILE 35 189.600 -3.820 -5.982 305 1HD1 ILE 35 HD11 ILE 35 190.451 -1.540 -5.743 306 2HD1 ILE 35 HD12 ILE 35 192.132 -1.699 -5.233 307 3HD1 ILE 35 HD13 ILE 35 191.188 -0.296 -4.733 308 H ASN 36 HN ASN 36 187.449 -3.678 -2.373 309 HA ASN 36 HA ASN 36 185.446 -5.179 -3.921 310 1HB ASN 36 HB2 ASN 36 187.205 -5.875 -1.638 311 2HB ASN 36 HB1 ASN 36 185.583 -6.559 -1.610 312 1HD2 ASN 36 HD21 ASN 36 187.134 -8.484 -1.726 313 2HD2 ASN 36 HD22 ASN 36 187.450 -9.095 -3.311 314 HA PRO 37 HA PRO 37 182.967 -2.414 -1.171 315 1HB PRO 37 HB2 PRO 37 181.230 -1.550 -3.024 316 2HB PRO 37 HB1 PRO 37 182.844 -0.844 -2.865 317 1HG PRO 37 HG2 PRO 37 181.853 -2.882 -4.823 318 2HG PRO 37 HG1 PRO 37 182.890 -1.471 -5.106 319 1HD PRO 37 HD2 PRO 37 183.842 -4.022 -4.832 320 2HD PRO 37 HD1 PRO 37 184.781 -2.572 -4.427 321 H HIS 38 HN HIS 38 182.120 -4.184 -0.037 322 HA HIS 38 HA HIS 38 179.978 -5.723 -1.300 323 1HB HIS 38 HB2 HIS 38 181.958 -6.349 0.602 324 2HB HIS 38 HB1 HIS 38 180.431 -6.389 1.476 325 HD1 HIS 38 HD1 HIS 38 182.558 -8.608 -0.163 326 HD2 HIS 38 HD2 HIS 38 178.454 -7.974 -0.338 327 HE1 HIS 38 HE1 HIS 38 181.588 -10.737 -1.081 328 HE2 HIS 38 HE2 HIS 38 179.113 -10.298 -1.260 329 H ILE 39 HN ILE 39 177.909 -5.190 -1.028 330 HA ILE 39 HA ILE 39 177.186 -3.560 1.317 331 HB ILE 39 HB ILE 39 176.034 -3.329 -1.466 332 1HG1 ILE 39 HG12 ILE 39 176.983 -0.969 -1.236 333 2HG1 ILE 39 HG11 ILE 39 177.898 -1.579 0.140 334 1HG2 ILE 39 HG21 ILE 39 175.337 -1.949 1.116 335 2HG2 ILE 39 HG22 ILE 39 174.283 -2.905 0.075 336 3HG2 ILE 39 HG23 ILE 39 174.863 -1.332 -0.469 337 1HD1 ILE 39 HD11 ILE 39 179.402 -2.564 -1.168 338 2HD1 ILE 39 HD12 ILE 39 178.731 -1.568 -2.461 339 3HD1 ILE 39 HD13 ILE 39 178.172 -3.226 -2.243 340 H ILE 40 HN ILE 40 176.068 -4.840 2.639 341 HA ILE 40 HA ILE 40 174.150 -6.733 1.472 342 HB ILE 40 HB ILE 40 175.596 -6.714 4.107 343 1HG1 ILE 40 HG12 ILE 40 175.242 -9.125 2.405 344 2HG1 ILE 40 HG11 ILE 40 176.288 -7.851 1.787 345 1HG2 ILE 40 HG21 ILE 40 174.151 -8.890 4.449 346 2HG2 ILE 40 HG22 ILE 40 172.996 -8.004 3.453 347 3HG2 ILE 40 HG23 ILE 40 173.563 -7.310 4.972 348 1HD1 ILE 40 HD11 ILE 40 176.803 -9.835 3.796 349 2HD1 ILE 40 HD12 ILE 40 177.068 -8.214 4.436 350 3HD1 ILE 40 HD13 ILE 40 177.921 -8.739 2.984 351 H LEU 41 HN LEU 41 172.204 -5.810 1.292 352 HA LEU 41 HA LEU 41 171.228 -4.155 3.524 353 1HB LEU 41 HB2 LEU 41 171.199 -2.845 1.576 354 2HB LEU 41 HB1 LEU 41 170.639 -4.171 0.579 355 HG LEU 41 HG LEU 41 168.536 -3.844 2.312 356 1HD1 LEU 41 HD11 LEU 41 168.958 -1.889 3.369 357 2HD1 LEU 41 HD12 LEU 41 168.255 -1.228 1.893 358 3HD1 LEU 41 HD13 LEU 41 170.006 -1.291 2.084 359 1HD2 LEU 41 HD21 LEU 41 167.359 -3.292 0.429 360 2HD2 LEU 41 HD22 LEU 41 168.818 -3.961 -0.302 361 3HD2 LEU 41 HD23 LEU 41 168.617 -2.213 -0.174 362 H SER 42 HN SER 42 170.268 -5.580 4.881 363 HA SER 42 HA SER 42 168.274 -7.417 3.736 364 1HB SER 42 HB2 SER 42 169.551 -7.627 6.465 365 2HB SER 42 HB1 SER 42 168.597 -8.850 5.626 366 HG SER 42 HG SER 42 171.160 -7.876 4.890 367 H LYS 43 HN LYS 43 166.276 -7.699 4.846 368 HA LYS 43 HA LYS 43 165.386 -5.237 6.155 369 1HB LYS 43 HB2 LYS 43 164.222 -6.488 4.136 370 2HB LYS 43 HB1 LYS 43 163.510 -7.448 5.427 371 1HG LYS 43 HG2 LYS 43 163.392 -4.462 5.514 372 2HG LYS 43 HG1 LYS 43 162.243 -5.385 4.543 373 1HD LYS 43 HD2 LYS 43 161.885 -6.751 6.716 374 2HD LYS 43 HD1 LYS 43 162.622 -5.360 7.514 375 1HE LYS 43 HE2 LYS 43 160.519 -4.695 5.578 376 2HE LYS 43 HE1 LYS 43 159.967 -5.618 6.975 377 1HZ LYS 43 HZ1 LYS 43 161.373 -3.851 8.255 378 2HZ LYS 43 HZ2 LYS 43 159.796 -3.495 7.758 379 3HZ LYS 43 HZ3 LYS 43 161.114 -2.921 6.866 380 H GLU 44 HN GLU 44 165.552 -5.226 8.290 381 HA GLU 44 HA GLU 44 165.118 -7.722 9.766 382 1HB GLU 44 HB2 GLU 44 167.137 -6.917 10.515 383 2HB GLU 44 HB1 GLU 44 166.679 -5.238 10.287 384 1HG GLU 44 HG2 GLU 44 165.439 -5.209 12.302 385 2HG GLU 44 HG1 GLU 44 165.537 -6.961 12.466 386 HA PRO 45 HA PRO 45 161.065 -6.912 11.282 387 1HB PRO 45 HB2 PRO 45 162.085 -7.020 14.021 388 2HB PRO 45 HB1 PRO 45 160.966 -8.105 13.205 389 1HG PRO 45 HG2 PRO 45 163.804 -8.430 13.667 390 2HG PRO 45 HG1 PRO 45 162.647 -9.602 13.016 391 1HD PRO 45 HD2 PRO 45 164.669 -8.457 11.557 392 2HD PRO 45 HD1 PRO 45 163.164 -9.080 10.850 393 H GLN 46 HN GLN 46 163.618 -5.390 13.253 394 HA GLN 46 HA GLN 46 161.897 -3.052 13.592 395 1HB GLN 46 HB2 GLN 46 163.247 -4.453 15.435 396 2HB GLN 46 HB1 GLN 46 164.471 -3.251 15.041 397 1HG GLN 46 HG2 GLN 46 163.090 -2.592 16.952 398 2HG GLN 46 HG1 GLN 46 162.955 -1.461 15.606 399 1HE2 GLN 46 HE21 GLN 46 161.404 -4.595 16.156 400 2HE2 GLN 46 HE22 GLN 46 159.784 -4.001 16.091 401 H GLY 47 HN GLY 47 162.783 -2.978 11.080 402 1HA GLY 47 HA2 GLY 47 163.579 -0.937 10.027 403 2HA GLY 47 HA1 GLY 47 164.885 -0.907 11.197 404 H PHE 48 HN PHE 48 165.659 -0.534 8.749 405 HA PHE 48 HA PHE 48 166.314 -3.009 7.396 406 1HB PHE 48 HB2 PHE 48 166.425 -0.131 6.786 407 2HB PHE 48 HB1 PHE 48 167.775 -1.052 6.138 408 HD1 PHE 48 HD1 PHE 48 166.280 -3.628 5.590 409 HD2 PHE 48 HD2 PHE 48 165.330 0.442 4.805 410 HE1 PHE 48 HE1 PHE 48 164.884 -4.327 3.690 411 HE2 PHE 48 HE2 PHE 48 163.930 -0.248 2.906 412 HZ PHE 48 HZ PHE 48 163.705 -2.636 2.345 413 H VAL 49 HN VAL 49 168.260 -4.020 7.388 414 HA VAL 49 HA VAL 49 170.356 -2.896 9.128 415 HB VAL 49 HB VAL 49 169.823 -5.781 8.395 416 1HG1 VAL 49 HG11 VAL 49 171.590 -6.205 10.165 417 2HG1 VAL 49 HG12 VAL 49 172.020 -4.502 10.003 418 3HG1 VAL 49 HG13 VAL 49 172.167 -5.584 8.619 419 1HG2 VAL 49 HG21 VAL 49 168.849 -6.065 10.432 420 2HG2 VAL 49 HG22 VAL 49 168.422 -4.376 10.160 421 3HG2 VAL 49 HG23 VAL 49 169.795 -4.783 11.189 422 H ALA 50 HN ALA 50 171.426 -1.677 7.560 423 HA ALA 50 HA ALA 50 172.351 -2.995 5.135 424 1HB ALA 50 HB1 ALA 50 171.811 -0.897 4.489 425 2HB ALA 50 HB2 ALA 50 173.472 -0.566 4.978 426 3HB ALA 50 HB3 ALA 50 172.140 -0.203 6.076 427 H ASP 51 HN ASP 51 173.964 -4.403 5.613 428 HA ASP 51 HA ASP 51 176.231 -3.412 7.200 429 1HB ASP 51 HB2 ASP 51 174.925 -6.014 6.938 430 2HB ASP 51 HB1 ASP 51 176.676 -6.111 6.780 431 H ALA 52 HN ALA 52 177.089 -2.188 5.436 432 HA ALA 52 HA ALA 52 178.057 -3.736 3.145 433 1HB ALA 52 HB1 ALA 52 177.132 -1.848 2.261 434 2HB ALA 52 HB2 ALA 52 178.792 -1.293 2.471 435 3HB ALA 52 HB3 ALA 52 177.558 -0.853 3.652 436 H THR 53 HN THR 53 180.080 -4.437 3.058 437 HA THR 53 HA THR 53 182.072 -3.210 4.850 438 HB THR 53 HB THR 53 182.018 -5.999 3.672 439 HG1 THR 53 HG1 THR 53 180.503 -5.640 5.363 440 1HG2 THR 53 HG21 THR 53 183.848 -6.501 5.196 441 2HG2 THR 53 HG22 THR 53 183.912 -4.807 5.682 442 3HG2 THR 53 HG23 THR 53 184.305 -5.264 4.024 443 H ILE 54 HN ILE 54 183.018 -1.678 3.604 444 HA ILE 54 HA ILE 54 183.830 -2.357 0.877 445 HB ILE 54 HB ILE 54 184.378 0.339 1.995 446 1HG1 ILE 54 HG12 ILE 54 181.602 -0.668 1.327 447 2HG1 ILE 54 HG11 ILE 54 182.154 -0.056 2.882 448 1HG2 ILE 54 HG21 ILE 54 184.917 -0.385 -0.338 449 2HG2 ILE 54 HG22 ILE 54 183.898 1.050 -0.232 450 3HG2 ILE 54 HG23 ILE 54 183.184 -0.511 -0.637 451 1HD1 ILE 54 HD11 ILE 54 181.935 1.552 0.349 452 2HD1 ILE 54 HD12 ILE 54 182.432 2.157 1.930 453 3HD1 ILE 54 HD13 ILE 54 180.788 1.568 1.689 454 H ASN 55 HN ASN 55 185.928 -2.353 0.176 455 HA ASN 55 HA ASN 55 187.958 -2.511 2.280 456 1HB ASN 55 HB2 ASN 55 187.564 -4.355 0.522 457 2HB ASN 55 HB1 ASN 55 188.366 -3.267 -0.606 458 1HD2 ASN 55 HD21 ASN 55 188.741 -5.402 2.066 459 2HD2 ASN 55 HD22 ASN 55 190.466 -5.374 2.125 460 H THR 56 HN THR 56 188.705 -0.501 2.690 461 HA THR 56 HA THR 56 189.327 1.295 0.477 462 HB THR 56 HB THR 56 189.362 3.033 2.013 463 HG1 THR 56 HG1 THR 56 190.519 2.825 3.726 464 1HG2 THR 56 HG21 THR 56 187.566 2.788 3.617 465 2HG2 THR 56 HG22 THR 56 187.601 1.037 3.412 466 3HG2 THR 56 HG23 THR 56 187.123 2.074 2.067 467 HA PRO 57 HA PRO 57 193.663 0.607 0.272 468 1HB PRO 57 HB2 PRO 57 194.666 3.181 0.499 469 2HB PRO 57 HB1 PRO 57 194.068 2.451 -0.993 470 1HG PRO 57 HG2 PRO 57 192.683 4.296 0.906 471 2HG PRO 57 HG1 PRO 57 192.631 4.261 -0.866 472 1HD PRO 57 HD2 PRO 57 190.618 3.286 0.602 473 2HD PRO 57 HD1 PRO 57 191.116 2.502 -0.911 474 H ASN 58 HN ASN 58 192.348 2.322 2.988 475 HA ASN 58 HA ASN 58 194.784 1.749 4.536 476 1HB ASN 58 HB2 ASN 58 193.295 4.113 4.322 477 2HB ASN 58 HB1 ASN 58 192.898 3.463 5.910 478 1HD2 ASN 58 HD21 ASN 58 194.785 2.789 7.240 479 2HD2 ASN 58 HD22 ASN 58 196.198 3.782 7.180 480 H GLY 59 HN GLY 59 192.316 0.033 3.869 481 1HA GLY 59 HA2 GLY 59 192.072 -1.847 5.554 482 2HA GLY 59 HA1 GLY 59 191.537 -0.582 6.648 483 H VAL 60 HN VAL 60 189.822 -2.538 6.438 484 HA VAL 60 HA VAL 60 187.914 -1.974 4.302 485 HB VAL 60 HB VAL 60 187.588 -4.005 6.506 486 1HG1 VAL 60 HG11 VAL 60 185.578 -3.484 5.242 487 2HG1 VAL 60 HG12 VAL 60 186.138 -5.116 4.868 488 3HG1 VAL 60 HG13 VAL 60 186.428 -3.800 3.729 489 1HG2 VAL 60 HG21 VAL 60 189.583 -4.744 5.608 490 2HG2 VAL 60 HG22 VAL 60 189.200 -4.144 3.994 491 3HG2 VAL 60 HG23 VAL 60 188.403 -5.593 4.608 492 H LEU 61 HN LEU 61 186.473 -0.424 4.595 493 HA LEU 61 HA LEU 61 185.792 0.492 7.253 494 1HB LEU 61 HB2 LEU 61 186.156 2.202 5.662 495 2HB LEU 61 HB1 LEU 61 185.120 1.438 4.482 496 HG LEU 61 HG LEU 61 183.184 2.187 5.522 497 1HD1 LEU 61 HD11 LEU 61 183.793 3.464 7.892 498 2HD1 LEU 61 HD12 LEU 61 184.756 1.990 7.950 499 3HD1 LEU 61 HD13 LEU 61 183.011 1.894 7.721 500 1HD2 LEU 61 HD21 LEU 61 185.405 4.132 5.443 501 2HD2 LEU 61 HD22 LEU 61 183.940 4.649 6.269 502 3HD2 LEU 61 HD23 LEU 61 183.868 4.139 4.585 503 H VAL 62 HN VAL 62 183.970 0.100 8.335 504 HA VAL 62 HA VAL 62 182.078 -1.795 7.176 505 HB VAL 62 HB VAL 62 183.022 -2.299 9.379 506 1HG1 VAL 62 HG11 VAL 62 183.094 -0.874 11.104 507 2HG1 VAL 62 HG12 VAL 62 181.443 -0.317 10.836 508 3HG1 VAL 62 HG13 VAL 62 182.769 0.370 9.899 509 1HG2 VAL 62 HG21 VAL 62 181.123 -3.282 10.082 510 2HG2 VAL 62 HG22 VAL 62 180.454 -2.620 8.592 511 3HG2 VAL 62 HG23 VAL 62 180.225 -1.765 10.116 512 H ALA 63 HN ALA 63 180.402 -0.936 6.122 513 HA ALA 63 HA ALA 63 179.299 1.633 6.951 514 1HB ALA 63 HB1 ALA 63 177.829 0.729 4.775 515 2HB ALA 63 HB2 ALA 63 179.473 0.172 4.465 516 3HB ALA 63 HB3 ALA 63 179.161 1.883 4.748 517 H SER 64 HN SER 64 177.905 1.464 8.606 518 HA SER 64 HA SER 64 175.907 -0.693 8.519 519 1HB SER 64 HB2 SER 64 176.007 0.784 11.023 520 2HB SER 64 HB1 SER 64 176.152 -0.948 10.730 521 HG SER 64 HG SER 64 178.093 0.900 11.193 522 H GLY 65 HN GLY 65 174.045 -0.055 7.675 523 1HA GLY 65 HA2 GLY 65 173.101 2.681 8.272 524 2HA GLY 65 HA1 GLY 65 172.733 1.820 6.785 525 H LYS 66 HN LYS 66 172.139 1.922 10.254 526 HA LYS 66 HA LYS 66 169.900 0.072 9.976 527 1HB LYS 66 HB2 LYS 66 170.678 1.428 12.538 528 2HB LYS 66 HB1 LYS 66 169.901 -0.133 12.306 529 1HG LYS 66 HG2 LYS 66 171.912 -1.009 12.678 530 2HG LYS 66 HG1 LYS 66 172.315 -0.471 11.046 531 1HD LYS 66 HD2 LYS 66 173.482 1.372 11.801 532 2HD LYS 66 HD1 LYS 66 172.603 1.431 13.331 533 1HE LYS 66 HE2 LYS 66 174.526 -0.769 12.601 534 2HE LYS 66 HE1 LYS 66 175.001 0.682 13.483 535 1HZ LYS 66 HZ1 LYS 66 174.520 -1.172 14.968 536 2HZ LYS 66 HZ2 LYS 66 172.941 -1.264 14.370 537 3HZ LYS 66 HZ3 LYS 66 173.442 0.108 15.223 538 H HIS 67 HN HIS 67 167.917 0.798 9.564 539 HA HIS 67 HA HIS 67 166.719 2.939 10.950 540 1HB HIS 67 HB2 HIS 67 168.363 3.872 8.948 541 2HB HIS 67 HB1 HIS 67 166.789 3.830 8.160 542 HD1 HIS 67 HD1 HIS 67 168.820 5.808 10.455 543 HD2 HIS 67 HD2 HIS 67 164.781 5.418 9.562 544 HE1 HIS 67 HE1 HIS 67 167.718 7.853 11.419 545 HE2 HIS 67 HE2 HIS 67 165.289 7.638 10.787 546 H GLU 68 HN GLU 68 164.509 3.203 10.461 547 HA GLU 68 HA GLU 68 163.224 0.887 9.506 548 1HB GLU 68 HB2 GLU 68 161.144 2.397 9.596 549 2HB GLU 68 HB1 GLU 68 162.009 2.096 11.096 550 1HG GLU 68 HG2 GLU 68 163.081 4.422 9.820 551 2HG GLU 68 HG1 GLU 68 161.330 4.566 9.954 552 H ASP 69 HN ASP 69 163.760 4.063 8.028 553 HA ASP 69 HA ASP 69 162.420 3.220 5.590 554 1HB ASP 69 HB2 ASP 69 163.196 5.758 6.787 555 2HB ASP 69 HB1 ASP 69 163.636 5.674 5.083 556 H MET 70 HN MET 70 163.445 3.116 3.549 557 HA MET 70 HA MET 70 165.998 1.897 3.621 558 1HB MET 70 HB2 MET 70 165.745 1.517 1.316 559 2HB MET 70 HB1 MET 70 164.116 1.463 1.966 560 1HG MET 70 HG2 MET 70 163.733 3.748 1.193 561 2HG MET 70 HG1 MET 70 165.362 3.788 0.527 562 1HE MET 70 HE1 MET 70 161.683 2.417 0.050 563 2HE MET 70 HE2 MET 70 162.610 1.038 0.642 564 3HE MET 70 HE3 MET 70 161.995 1.042 -1.012 565 H TYR 71 HN TYR 71 164.945 5.031 2.253 566 HA TYR 71 HA TYR 71 167.515 5.835 1.450 567 1HB TYR 71 HB2 TYR 71 165.011 7.381 2.055 568 2HB TYR 71 HB1 TYR 71 166.494 8.185 1.569 569 HD1 TYR 71 HD1 TYR 71 164.052 8.521 0.014 570 HD2 TYR 71 HD2 TYR 71 167.014 5.478 -0.228 571 HE1 TYR 71 HE1 TYR 71 163.467 8.140 -2.341 572 HE2 TYR 71 HE2 TYR 71 166.443 5.092 -2.571 573 HH TYR 71 HH TYR 71 163.659 6.150 -3.989 574 H THR 72 HN THR 72 165.866 6.029 4.527 575 HA THR 72 HA THR 72 167.678 7.871 5.726 576 HB THR 72 HB THR 72 166.766 6.784 7.892 577 HG1 THR 72 HG1 THR 72 166.040 4.882 6.638 578 1HG2 THR 72 HG21 THR 72 164.623 7.904 7.733 579 2HG2 THR 72 HG22 THR 72 164.806 8.034 5.984 580 3HG2 THR 72 HG23 THR 72 165.908 8.903 7.054 581 H ALA 73 HN ALA 73 167.602 4.406 5.285 582 HA ALA 73 HA ALA 73 169.705 3.769 7.085 583 1HB ALA 73 HB1 ALA 73 169.325 1.633 6.479 584 2HB ALA 73 HB2 ALA 73 169.348 2.009 4.756 585 3HB ALA 73 HB3 ALA 73 167.890 2.302 5.702 586 H ILE 74 HN ILE 74 169.559 4.798 3.752 587 HA ILE 74 HA ILE 74 172.283 4.175 3.125 588 HB ILE 74 HB ILE 74 171.107 6.378 1.577 589 1HG1 ILE 74 HG12 ILE 74 169.054 5.073 2.151 590 2HG1 ILE 74 HG11 ILE 74 169.413 5.110 0.433 591 1HG2 ILE 74 HG21 ILE 74 172.511 5.563 0.077 592 2HG2 ILE 74 HG22 ILE 74 171.692 4.001 0.089 593 3HG2 ILE 74 HG23 ILE 74 172.987 4.327 1.241 594 1HD1 ILE 74 HD11 ILE 74 169.542 2.839 2.345 595 2HD1 ILE 74 HD12 ILE 74 170.601 2.840 0.935 596 3HD1 ILE 74 HD13 ILE 74 168.850 2.920 0.724 597 H ASN 75 HN ASN 75 170.553 7.065 4.189 598 HA ASN 75 HA ASN 75 172.723 8.856 3.994 599 1HB ASN 75 HB2 ASN 75 170.579 9.173 6.072 600 2HB ASN 75 HB1 ASN 75 171.390 10.411 5.121 601 1HD2 ASN 75 HD21 ASN 75 171.045 8.898 2.618 602 2HD2 ASN 75 HD22 ASN 75 169.384 9.089 2.190 603 H GLU 76 HN GLU 76 171.386 7.163 6.835 604 HA GLU 76 HA GLU 76 173.247 8.018 8.703 605 1HB GLU 76 HB2 GLU 76 171.141 6.148 8.615 606 2HB GLU 76 HB1 GLU 76 172.545 5.270 9.206 607 1HG GLU 76 HG2 GLU 76 171.133 6.277 10.982 608 2HG GLU 76 HG1 GLU 76 172.821 6.779 11.024 609 H LEU 77 HN LEU 77 173.408 5.286 6.469 610 HA LEU 77 HA LEU 77 175.737 4.083 7.411 611 1HB LEU 77 HB2 LEU 77 174.128 3.234 5.648 612 2HB LEU 77 HB1 LEU 77 174.949 4.284 4.511 613 HG LEU 77 HG LEU 77 176.682 2.435 6.035 614 1HD1 LEU 77 HD11 LEU 77 175.914 0.479 5.255 615 2HD1 LEU 77 HD12 LEU 77 175.445 1.166 3.700 616 3HD1 LEU 77 HD13 LEU 77 174.381 1.336 5.097 617 1HD2 LEU 77 HD21 LEU 77 176.554 3.733 3.378 618 2HD2 LEU 77 HD22 LEU 77 177.369 2.172 3.471 619 3HD2 LEU 77 HD23 LEU 77 177.921 3.516 4.472 620 H ILE 78 HN ILE 78 175.481 6.298 4.620 621 HA ILE 78 HA ILE 78 178.173 6.660 4.156 622 HB ILE 78 HB ILE 78 176.398 7.477 2.661 623 1HG1 ILE 78 HG12 ILE 78 178.804 8.337 2.644 624 2HG1 ILE 78 HG11 ILE 78 177.607 9.309 1.798 625 1HG2 ILE 78 HG21 ILE 78 175.937 9.428 4.879 626 2HG2 ILE 78 HG22 ILE 78 174.773 8.463 3.973 627 3HG2 ILE 78 HG23 ILE 78 175.547 9.853 3.213 628 1HD1 ILE 78 HD11 ILE 78 178.287 11.060 2.956 629 2HD1 ILE 78 HD12 ILE 78 179.377 10.052 3.908 630 3HD1 ILE 78 HD13 ILE 78 177.710 10.287 4.431 631 H ASN 79 HN ASN 79 176.154 8.200 6.589 632 HA ASN 79 HA ASN 79 177.890 10.278 7.326 633 1HB ASN 79 HB2 ASN 79 176.046 8.754 9.177 634 2HB ASN 79 HB1 ASN 79 176.645 10.395 9.393 635 1HD2 ASN 79 HD21 ASN 79 173.978 9.858 9.510 636 2HD2 ASN 79 HD22 ASN 79 173.181 10.536 8.134 637 H LYS 80 HN LYS 80 177.522 7.006 8.660 638 HA LYS 80 HA LYS 80 179.467 7.095 10.621 639 1HB LYS 80 HB2 LYS 80 177.917 5.089 9.311 640 2HB LYS 80 HB1 LYS 80 179.577 4.521 9.405 641 1HG LYS 80 HG2 LYS 80 179.013 3.810 11.440 642 2HG LYS 80 HG1 LYS 80 179.184 5.500 11.918 643 1HD LYS 80 HD2 LYS 80 176.597 4.336 10.908 644 2HD LYS 80 HD1 LYS 80 177.038 4.358 12.616 645 1HE LYS 80 HE2 LYS 80 176.779 6.767 10.819 646 2HE LYS 80 HE1 LYS 80 175.614 6.259 12.040 647 1HZ LYS 80 HZ1 LYS 80 178.276 7.453 12.396 648 2HZ LYS 80 HZ2 LYS 80 177.661 6.439 13.602 649 3HZ LYS 80 HZ3 LYS 80 176.816 7.836 13.162 650 H LEU 81 HN LEU 81 179.909 5.761 7.326 651 HA LEU 81 HA LEU 81 182.664 5.413 7.484 652 1HB LEU 81 HB2 LEU 81 180.907 6.033 5.118 653 2HB LEU 81 HB1 LEU 81 182.607 5.628 4.969 654 HG LEU 81 HG LEU 81 182.020 3.490 6.253 655 1HD1 LEU 81 HD11 LEU 81 179.381 4.698 5.827 656 2HD1 LEU 81 HD12 LEU 81 179.960 3.627 7.104 657 3HD1 LEU 81 HD13 LEU 81 179.524 2.975 5.535 658 1HD2 LEU 81 HD21 LEU 81 182.566 3.002 4.101 659 2HD2 LEU 81 HD22 LEU 81 181.431 4.173 3.433 660 3HD2 LEU 81 HD23 LEU 81 180.848 2.618 4.025 661 H GLU 82 HN GLU 82 180.856 8.246 6.314 662 HA GLU 82 HA GLU 82 182.803 9.845 5.336 663 1HB GLU 82 HB2 GLU 82 180.311 10.350 5.695 664 2HB GLU 82 HB1 GLU 82 180.792 10.971 7.267 665 1HG GLU 82 HG2 GLU 82 182.496 12.364 5.858 666 2HG GLU 82 HG1 GLU 82 181.357 12.042 4.552 667 H ARG 83 HN ARG 83 181.825 10.193 8.761 668 HA ARG 83 HA ARG 83 184.020 11.716 9.536 669 1HB ARG 83 HB2 ARG 83 182.484 9.752 11.247 670 2HB ARG 83 HB1 ARG 83 183.468 11.086 11.832 671 1HG ARG 83 HG2 ARG 83 181.343 11.823 9.939 672 2HG ARG 83 HG1 ARG 83 180.798 11.201 11.497 673 1HD ARG 83 HD2 ARG 83 180.998 13.606 11.602 674 2HD ARG 83 HD1 ARG 83 182.220 12.862 12.630 675 HE ARG 83 HE ARG 83 182.681 14.240 10.085 676 1HH1 ARG 83 HH11 ARG 83 183.985 12.635 12.908 677 2HH1 ARG 83 HH12 ARG 83 185.594 13.206 12.635 678 1HH2 ARG 83 HH21 ARG 83 184.798 14.986 9.739 679 2HH2 ARG 83 HH22 ARG 83 186.057 14.539 10.842 680 H GLN 84 HN GLN 84 183.583 8.209 10.085 681 HA GLN 84 HA GLN 84 186.086 7.672 11.126 682 1HB GLN 84 HB2 GLN 84 184.262 6.033 11.078 683 2HB GLN 84 HB1 GLN 84 184.424 5.893 9.333 684 1HG GLN 84 HG2 GLN 84 186.967 5.422 10.510 685 2HG GLN 84 HG1 GLN 84 185.768 4.444 11.353 686 1HE2 GLN 84 HE21 GLN 84 185.785 5.455 7.974 687 2HE2 GLN 84 HE22 GLN 84 185.867 3.862 7.309 688 H LEU 85 HN LEU 85 185.182 8.363 7.852 689 HA LEU 85 HA LEU 85 187.485 7.270 6.595 690 1HB LEU 85 HB2 LEU 85 185.145 8.798 5.806 691 2HB LEU 85 HB1 LEU 85 186.584 9.341 4.970 692 HG LEU 85 HG LEU 85 186.156 6.416 5.031 693 1HD1 LEU 85 HD11 LEU 85 184.636 7.797 2.923 694 2HD1 LEU 85 HD12 LEU 85 183.923 7.840 4.537 695 3HD1 LEU 85 HD13 LEU 85 184.291 6.291 3.776 696 1HD2 LEU 85 HD21 LEU 85 186.886 6.695 2.667 697 2HD2 LEU 85 HD22 LEU 85 188.041 7.304 3.854 698 3HD2 LEU 85 HD23 LEU 85 187.018 8.429 2.962 699 H ASN 86 HN ASN 86 186.608 10.729 6.806 700 HA ASN 86 HA ASN 86 188.949 11.881 6.171 701 1HB ASN 86 HB2 ASN 86 188.321 13.542 8.216 702 2HB ASN 86 HB1 ASN 86 187.527 13.570 6.649 703 1HD2 ASN 86 HD21 ASN 86 185.451 12.852 6.457 704 2HD2 ASN 86 HD22 ASN 86 184.447 12.509 7.815 705 H LYS 87 HN LYS 87 188.227 10.433 9.306 706 HA LYS 87 HA LYS 87 190.649 11.237 10.553 707 1HB LYS 87 HB2 LYS 87 188.836 10.649 11.972 708 2HB LYS 87 HB1 LYS 87 188.627 9.092 11.186 709 1HG LYS 87 HG2 LYS 87 189.729 9.177 13.507 710 2HG LYS 87 HG1 LYS 87 190.451 8.155 12.264 711 1HD LYS 87 HD2 LYS 87 192.212 9.666 11.891 712 2HD LYS 87 HD1 LYS 87 191.373 10.979 12.719 713 1HE LYS 87 HE2 LYS 87 192.403 10.435 14.609 714 2HE LYS 87 HE1 LYS 87 191.645 8.844 14.561 715 1HZ LYS 87 HZ1 LYS 87 193.484 8.057 13.195 716 2HZ LYS 87 HZ2 LYS 87 194.042 8.658 14.675 717 3HZ LYS 87 HZ3 LYS 87 194.216 9.582 13.268 718 H LEU 88 HN LEU 88 189.772 7.835 10.062 719 HA LEU 88 HA LEU 88 192.297 6.779 10.092 720 1HB LEU 88 HB2 LEU 88 189.883 5.709 9.841 721 2HB LEU 88 HB1 LEU 88 190.345 5.629 8.152 722 HG LEU 88 HG LEU 88 191.597 4.219 10.495 723 1HD1 LEU 88 HD11 LEU 88 191.325 2.487 8.371 724 2HD1 LEU 88 HD12 LEU 88 189.896 3.513 8.243 725 3HD1 LEU 88 HD13 LEU 88 190.221 2.636 9.739 726 1HD2 LEU 88 HD21 LEU 88 192.764 4.620 7.746 727 2HD2 LEU 88 HD22 LEU 88 193.315 3.399 8.894 728 3HD2 LEU 88 HD23 LEU 88 193.465 5.111 9.288 729 H GLN 89 HN GLN 89 190.713 8.421 7.460 730 HA GLN 89 HA GLN 89 192.754 7.639 5.550 731 1HB GLN 89 HB2 GLN 89 190.089 8.284 5.321 732 2HB GLN 89 HB1 GLN 89 190.895 9.718 4.700 733 1HG GLN 89 HG2 GLN 89 190.435 8.224 2.888 734 2HG GLN 89 HG1 GLN 89 192.177 8.273 3.157 735 1HE2 GLN 89 HE21 GLN 89 189.916 6.269 2.242 736 2HE2 GLN 89 HE22 GLN 89 190.448 4.786 2.950 737 H HIS 90 HN HIS 90 192.359 10.125 7.814 738 HA HIS 90 HA HIS 90 193.427 12.337 6.473 739 1HB HIS 90 HB2 HIS 90 192.538 11.797 9.034 740 2HB HIS 90 HB1 HIS 90 194.243 12.148 9.273 741 HD1 HIS 90 HD1 HIS 90 192.170 13.873 6.650 742 HD2 HIS 90 HD2 HIS 90 193.842 14.658 10.374 743 HE1 HIS 90 HE1 HIS 90 191.906 16.349 6.997 744 HE2 HIS 90 HE2 HIS 90 192.845 16.785 9.295 745 H LYS 91 HN LYS 91 195.043 11.147 5.161 746 HA LYS 91 HA LYS 91 197.639 11.767 5.829 747 1HB LYS 91 HB2 LYS 91 196.841 9.530 7.311 748 2HB LYS 91 HB1 LYS 91 197.805 8.872 5.998 749 1HG LYS 91 HG2 LYS 91 198.945 11.218 7.361 750 2HG LYS 91 HG1 LYS 91 198.825 9.744 8.325 751 1HD LYS 91 HD2 LYS 91 200.014 9.749 5.565 752 2HD LYS 91 HD1 LYS 91 200.980 10.113 6.997 753 1HE LYS 91 HE2 LYS 91 201.326 7.894 7.042 754 2HE LYS 91 HE1 LYS 91 199.728 7.843 7.785 755 1HZ LYS 91 HZ1 LYS 91 198.753 7.122 5.853 756 2HZ LYS 91 HZ2 LYS 91 200.256 6.354 5.748 757 3HZ LYS 91 HZ3 LYS 91 199.962 7.760 4.856 758 H GLY 92 HN GLY 92 197.525 12.349 3.637 759 1HA GLY 92 HA2 GLY 92 198.181 10.170 1.824 760 2HA GLY 92 HA1 GLY 92 196.736 11.089 1.429 761 H GLU 93 HN GLU 93 199.384 10.773 0.071 762 HA GLU 93 HA GLU 93 199.992 13.643 -0.185 763 1HB GLU 93 HB2 GLU 93 202.065 11.533 -0.697 764 2HB GLU 93 HB1 GLU 93 202.291 13.242 -0.354 765 1HG GLU 93 HG2 GLU 93 201.262 11.246 1.645 766 2HG GLU 93 HG1 GLU 93 202.955 11.715 1.492 767 H ALA 94 HN ALA 94 198.090 12.878 -1.781 768 HA ALA 94 HA ALA 94 199.113 13.211 -4.382 769 1HB ALA 94 HB1 ALA 94 197.848 10.550 -4.338 770 2HB ALA 94 HB2 ALA 94 199.469 10.647 -3.653 771 3HB ALA 94 HB3 ALA 94 199.183 11.160 -5.315 772 H ARG 95 HN ARG 95 197.373 12.958 -6.069 773 HA ARG 95 HA ARG 95 194.662 12.671 -5.378 774 1HB ARG 95 HB2 ARG 95 195.842 15.362 -5.043 775 2HB ARG 95 HB1 ARG 95 194.325 15.303 -5.929 776 1HG ARG 95 HG2 ARG 95 193.920 13.675 -3.706 777 2HG ARG 95 HG1 ARG 95 194.812 15.072 -3.101 778 1HD ARG 95 HD2 ARG 95 192.266 15.150 -4.718 779 2HD ARG 95 HD1 ARG 95 192.400 15.440 -2.985 780 HE ARG 95 HE ARG 95 194.042 17.174 -4.591 781 1HH1 ARG 95 HH11 ARG 95 190.881 16.709 -3.185 782 2HH1 ARG 95 HH12 ARG 95 190.496 18.398 -3.185 783 1HH2 ARG 95 HH21 ARG 95 193.536 19.395 -4.593 784 2HH2 ARG 95 HH22 ARG 95 192.002 19.922 -3.985 785 H ARG 96 HN ARG 96 195.502 11.455 -7.362 786 HA ARG 96 HA ARG 96 195.547 13.060 -9.792 787 1HB ARG 96 HB2 ARG 96 195.592 10.106 -9.985 788 2HB ARG 96 HB1 ARG 96 196.578 11.304 -10.811 789 1HG ARG 96 HG2 ARG 96 197.638 11.621 -8.436 790 2HG ARG 96 HG1 ARG 96 196.993 10.000 -8.168 791 1HD ARG 96 HD2 ARG 96 198.145 9.398 -10.383 792 2HD ARG 96 HD1 ARG 96 199.032 10.906 -10.174 793 HE ARG 96 HE ARG 96 199.481 8.460 -8.796 794 1HH1 ARG 96 HH11 ARG 96 199.599 11.928 -8.412 795 2HH1 ARG 96 HH12 ARG 96 200.803 11.874 -7.169 796 1HH2 ARG 96 HH21 ARG 96 201.063 8.389 -7.159 797 2HH2 ARG 96 HH22 ARG 96 201.635 9.866 -6.458 798 H ALA 97 HN ALA 97 194.389 11.597 -11.682 799 HA ALA 97 HA ALA 97 192.422 11.001 -12.658 800 1HB ALA 97 HB1 ALA 97 191.181 9.457 -11.596 801 2HB ALA 97 HB2 ALA 97 190.948 10.470 -10.172 802 3HB ALA 97 HB3 ALA 97 192.442 9.553 -10.369 803 H ALA 98 HN ALA 98 191.268 12.340 -9.562 804 HA ALA 98 HA ALA 98 189.949 14.128 -9.071 805 1HB ALA 98 HB1 ALA 98 190.563 16.089 -9.988 806 2HB ALA 98 HB2 ALA 98 190.327 15.512 -11.637 807 3HB ALA 98 HB3 ALA 98 191.811 15.116 -10.770 808 H THR 99 HN THR 99 188.619 11.951 -9.998 809 HA THR 99 HA THR 99 186.907 12.467 -12.199 810 HB THR 99 HB THR 99 185.959 10.670 -10.038 811 HG1 THR 99 HG1 THR 99 187.559 9.184 -10.376 812 1HG2 THR 99 HG21 THR 99 185.097 9.439 -11.697 813 2HG2 THR 99 HG22 THR 99 186.512 9.642 -12.729 814 3HG2 THR 99 HG23 THR 99 185.298 10.919 -12.636 815 H SER 100 HN SER 100 184.565 12.751 -12.086 816 HA SER 100 HA SER 100 183.832 15.013 -10.607 817 1HB SER 100 HB2 SER 100 181.428 14.166 -11.277 818 2HB SER 100 HB1 SER 100 182.545 14.740 -12.514 819 HG SER 100 HG SER 100 182.305 12.017 -11.769 820 H VAL 101 HN VAL 101 182.320 15.268 -8.900 821 HA VAL 101 HA VAL 101 182.394 13.045 -7.002 822 HB VAL 101 HB VAL 101 181.300 15.032 -5.538 823 1HG1 VAL 101 HG11 VAL 101 183.126 13.966 -4.638 824 2HG1 VAL 101 HG12 VAL 101 183.786 15.569 -4.960 825 3HG1 VAL 101 HG13 VAL 101 184.125 14.238 -6.066 826 1HG2 VAL 101 HG21 VAL 101 183.269 16.532 -7.236 827 2HG2 VAL 101 HG22 VAL 101 182.108 17.159 -6.064 828 3HG2 VAL 101 HG23 VAL 101 181.547 16.533 -7.614 829 H LYS 102 HN LYS 102 179.938 15.588 -7.139 830 HA LYS 102 HA LYS 102 177.893 13.525 -6.966 831 1HB LYS 102 HB2 LYS 102 176.354 15.499 -6.575 832 2HB LYS 102 HB1 LYS 102 177.587 15.225 -5.355 833 1HG LYS 102 HG2 LYS 102 178.846 16.973 -7.026 834 2HG LYS 102 HG1 LYS 102 177.169 17.504 -7.137 835 1HD LYS 102 HD2 LYS 102 178.258 18.700 -5.352 836 2HD LYS 102 HD1 LYS 102 177.080 17.584 -4.660 837 1HE LYS 102 HE2 LYS 102 178.805 17.044 -3.307 838 2HE LYS 102 HE1 LYS 102 179.258 16.009 -4.661 839 1HZ LYS 102 HZ1 LYS 102 180.442 18.545 -3.783 840 2HZ LYS 102 HZ2 LYS 102 180.502 18.154 -5.428 841 3HZ LYS 102 HZ3 LYS 102 181.202 17.119 -4.288 842 H ASP 103 HN ASP 103 178.342 16.522 -8.867 843 HA ASP 103 HA ASP 103 177.402 17.172 -10.856 844 1HB ASP 103 HB2 ASP 103 177.999 15.658 -12.721 845 2HB ASP 103 HB1 ASP 103 179.335 15.900 -11.599 846 H ALA 104 HN ALA 104 175.328 16.539 -9.312 847 HA ALA 104 HA ALA 104 173.653 14.463 -10.218 848 1HB ALA 104 HB1 ALA 104 173.216 16.948 -8.620 849 2HB ALA 104 HB2 ALA 104 173.074 15.259 -8.131 850 3HB ALA 104 HB3 ALA 104 171.838 15.988 -9.155 851 H ASN 105 HN ASN 105 172.756 17.880 -10.538 852 HA ASN 105 HA ASN 105 171.562 17.252 -13.136 853 1HB ASN 105 HB2 ASN 105 171.242 19.832 -11.610 854 2HB ASN 105 HB1 ASN 105 170.192 19.166 -12.858 855 1HD2 ASN 105 HD21 ASN 105 170.065 16.526 -11.913 856 2HD2 ASN 105 HD22 ASN 105 169.159 16.523 -10.443 857 H PHE 106 HN PHE 106 174.463 17.629 -12.755 858 HA PHE 106 HA PHE 106 174.981 20.156 -14.116 859 1HB PHE 106 HB2 PHE 106 176.762 18.072 -12.867 860 2HB PHE 106 HB1 PHE 106 177.408 19.373 -13.857 861 HD1 PHE 106 HD1 PHE 106 178.692 19.676 -11.617 862 HD2 PHE 106 HD2 PHE 106 174.543 20.500 -12.116 863 HE1 PHE 106 HE1 PHE 106 178.747 21.146 -9.645 864 HE2 PHE 106 HE2 PHE 106 174.595 21.969 -10.146 865 HZ PHE 106 HZ PHE 106 176.698 22.295 -8.908 866 H VAL 107 HN VAL 107 173.713 17.621 -15.326 867 HA VAL 107 HA VAL 107 175.634 17.191 -17.507 868 HB VAL 107 HB VAL 107 174.305 15.223 -18.105 869 1HG1 VAL 107 HG11 VAL 107 176.164 15.107 -16.437 870 2HG1 VAL 107 HG12 VAL 107 174.967 13.820 -16.293 871 3HG1 VAL 107 HG13 VAL 107 174.946 15.174 -15.163 872 1HG2 VAL 107 HG21 VAL 107 172.137 15.305 -17.538 873 2HG2 VAL 107 HG22 VAL 107 172.433 16.399 -16.187 874 3HG2 VAL 107 HG23 VAL 107 172.675 14.663 -15.986 875 H GLU 108 HN GLU 108 174.220 16.518 -19.608 876 HA GLU 108 HA GLU 108 172.369 18.761 -20.075 877 1HB GLU 108 HB2 GLU 108 173.186 18.935 -22.331 878 2HB GLU 108 HB1 GLU 108 174.563 18.984 -21.240 879 1HG GLU 108 HG2 GLU 108 175.494 17.268 -22.272 880 2HG GLU 108 HG1 GLU 108 174.066 16.276 -21.988 881 H GLU 109 HN GLU 109 171.496 18.017 -22.601 882 HA GLU 109 HA GLU 109 169.522 16.080 -21.945 883 1HB GLU 109 HB2 GLU 109 170.122 16.962 -24.754 884 2HB GLU 109 HB1 GLU 109 168.574 16.529 -24.045 885 1HG GLU 109 HG2 GLU 109 170.155 19.047 -23.627 886 2HG GLU 109 HG1 GLU 109 168.566 18.869 -24.366 887 H VAL 110 HN VAL 110 169.203 14.564 -24.227 888 HA VAL 110 HA VAL 110 170.808 12.344 -23.731 889 HB VAL 110 HB VAL 110 168.639 12.197 -24.871 890 1HG1 VAL 110 HG11 VAL 110 169.082 14.251 -26.300 891 2HG1 VAL 110 HG12 VAL 110 168.272 12.898 -27.087 892 3HG1 VAL 110 HG13 VAL 110 169.988 13.181 -27.369 893 1HG2 VAL 110 HG21 VAL 110 170.745 11.101 -26.716 894 2HG2 VAL 110 HG22 VAL 110 169.178 10.407 -26.303 895 3HG2 VAL 110 HG23 VAL 110 170.469 10.445 -25.102 896 H GLU 111 HN GLU 111 172.910 12.094 -24.068 897 HA GLU 111 HA GLU 111 174.381 13.778 -25.843 898 1HB GLU 111 HB2 GLU 111 175.267 12.868 -23.683 899 2HB GLU 111 HB1 GLU 111 175.341 11.284 -24.443 900 1HG GLU 111 HG2 GLU 111 176.773 12.540 -26.231 901 2HG GLU 111 HG1 GLU 111 177.009 13.700 -24.926 902 H GLU 112 HN GLU 112 172.757 10.823 -26.189 903 HA GLU 112 HA GLU 112 172.695 9.209 -27.809 904 1HB GLU 112 HB2 GLU 112 172.783 11.840 -29.108 905 2HB GLU 112 HB1 GLU 112 173.234 10.507 -30.164 906 1HG GLU 112 HG2 GLU 112 171.156 9.573 -30.109 907 2HG GLU 112 HG1 GLU 112 170.780 10.228 -28.516 908 H GLU 113 HN GLU 113 174.677 8.239 -26.918 909 HA GLU 113 HA GLU 113 177.233 8.774 -27.983 910 1HB GLU 113 HB2 GLU 113 176.888 7.565 -25.871 911 2HB GLU 113 HB1 GLU 113 176.174 6.222 -26.754 912 1HG GLU 113 HG2 GLU 113 178.227 5.359 -26.689 913 2HG GLU 113 HG1 GLU 113 178.565 6.474 -28.013 Start of MODEL 5 1 1H MET 1 HT1 MET 1 185.139 0.132 -6.399 2 2H MET 1 HT2 MET 1 185.847 -1.431 -6.353 3 3H MET 1 HT3 MET 1 184.141 -1.262 -6.385 4 HA MET 1 HA MET 1 184.498 -0.058 -8.553 5 1HB MET 1 HB2 MET 1 187.045 -0.097 -7.973 6 2HB MET 1 HB1 MET 1 186.990 -1.730 -8.621 7 1HG MET 1 HG2 MET 1 187.381 -0.796 -10.596 8 2HG MET 1 HG1 MET 1 185.698 -0.275 -10.551 9 1HE MET 1 HE1 MET 1 186.422 2.876 -11.878 10 2HE MET 1 HE2 MET 1 186.340 1.160 -12.275 11 3HE MET 1 HE3 MET 1 187.891 1.998 -12.306 12 H THR 2 HN THR 2 185.100 -3.184 -7.100 13 HA THR 2 HA THR 2 184.377 -4.742 -9.370 14 HB THR 2 HB THR 2 184.227 -6.612 -7.745 15 HG1 THR 2 HG1 THR 2 184.786 -6.110 -5.558 16 1HG2 THR 2 HG21 THR 2 186.528 -6.542 -6.889 17 2HG2 THR 2 HG22 THR 2 186.640 -4.854 -7.387 18 3HG2 THR 2 HG23 THR 2 186.420 -6.120 -8.597 19 H MET 3 HN MET 3 182.597 -3.155 -6.851 20 HA MET 3 HA MET 3 180.371 -2.868 -6.486 21 1HB MET 3 HB2 MET 3 180.519 -3.609 -9.346 22 2HB MET 3 HB1 MET 3 178.943 -3.794 -8.589 23 1HG MET 3 HG2 MET 3 180.285 -1.253 -8.017 24 2HG MET 3 HG1 MET 3 179.868 -1.510 -9.710 25 1HE MET 3 HE1 MET 3 178.792 -1.668 -6.150 26 2HE MET 3 HE2 MET 3 177.458 -2.768 -6.501 27 3HE MET 3 HE3 MET 3 177.129 -1.079 -6.115 28 H ASN 4 HN ASN 4 180.749 -4.586 -4.860 29 HA ASN 4 HA ASN 4 179.465 -7.136 -5.553 30 1HB ASN 4 HB2 ASN 4 181.421 -6.308 -3.445 31 2HB ASN 4 HB1 ASN 4 180.381 -7.698 -3.150 32 1HD2 ASN 4 HD21 ASN 4 182.839 -6.364 -5.257 33 2HD2 ASN 4 HD22 ASN 4 183.386 -7.876 -5.890 34 H ILE 5 HN ILE 5 177.508 -7.650 -4.779 35 HA ILE 5 HA ILE 5 176.456 -6.153 -2.482 36 HB ILE 5 HB ILE 5 174.812 -6.695 -4.952 37 1HG1 ILE 5 HG12 ILE 5 176.139 -4.124 -4.059 38 2HG1 ILE 5 HG11 ILE 5 176.563 -5.069 -5.483 39 1HG2 ILE 5 HG21 ILE 5 174.314 -5.104 -2.443 40 2HG2 ILE 5 HG22 ILE 5 173.470 -6.559 -2.977 41 3HG2 ILE 5 HG23 ILE 5 173.279 -5.050 -3.870 42 1HD1 ILE 5 HD11 ILE 5 175.137 -3.856 -6.652 43 2HD1 ILE 5 HD12 ILE 5 174.606 -3.016 -5.196 44 3HD1 ILE 5 HD13 ILE 5 173.819 -4.517 -5.686 45 H THR 6 HN THR 6 175.771 -7.513 -0.975 46 HA THR 6 HA THR 6 174.502 -10.028 -1.792 47 HB THR 6 HB THR 6 176.680 -9.752 0.286 48 HG1 THR 6 HG1 THR 6 177.207 -9.949 -2.038 49 1HG2 THR 6 HG21 THR 6 176.280 -12.431 -0.083 50 2HG2 THR 6 HG22 THR 6 174.636 -11.795 -0.036 51 3HG2 THR 6 HG23 THR 6 175.740 -11.489 1.305 52 H SER 7 HN SER 7 172.499 -9.118 -1.252 53 HA SER 7 HA SER 7 172.030 -8.086 1.402 54 1HB SER 7 HB2 SER 7 170.357 -8.493 -1.049 55 2HB SER 7 HB1 SER 7 169.568 -8.230 0.509 56 HG SER 7 HG SER 7 171.197 -6.502 -0.982 57 H LYS 8 HN LYS 8 170.490 -8.998 2.895 58 HA LYS 8 HA LYS 8 170.900 -11.781 3.286 59 1HB LYS 8 HB2 LYS 8 170.684 -10.290 5.184 60 2HB LYS 8 HB1 LYS 8 169.063 -9.830 4.685 61 1HG LYS 8 HG2 LYS 8 168.165 -11.548 5.764 62 2HG LYS 8 HG1 LYS 8 169.264 -12.689 4.985 63 1HD LYS 8 HD2 LYS 8 169.754 -12.919 7.253 64 2HD LYS 8 HD1 LYS 8 171.012 -11.828 6.667 65 1HE LYS 8 HE2 LYS 8 168.524 -10.573 7.653 66 2HE LYS 8 HE1 LYS 8 169.548 -11.346 8.861 67 1HZ LYS 8 HZ1 LYS 8 170.805 -9.542 8.833 68 2HZ LYS 8 HZ2 LYS 8 169.902 -8.862 7.574 69 3HZ LYS 8 HZ3 LYS 8 171.223 -9.859 7.223 70 H GLN 9 HN GLN 9 167.683 -10.289 3.402 71 HA GLN 9 HA GLN 9 166.726 -12.459 1.652 72 1HB GLN 9 HB2 GLN 9 164.648 -12.484 2.894 73 2HB GLN 9 HB1 GLN 9 165.997 -12.704 4.002 74 1HG GLN 9 HG2 GLN 9 165.195 -9.918 3.657 75 2HG GLN 9 HG1 GLN 9 163.938 -10.948 4.336 76 1HE2 GLN 9 HE21 GLN 9 166.695 -9.151 4.975 77 2HE2 GLN 9 HE22 GLN 9 166.993 -9.699 6.586 78 H MET 10 HN MET 10 166.680 -9.054 2.342 79 HA MET 10 HA MET 10 164.605 -8.572 0.345 80 1HB MET 10 HB2 MET 10 164.445 -7.323 2.429 81 2HB MET 10 HB1 MET 10 166.064 -6.677 2.196 82 1HG MET 10 HG2 MET 10 165.067 -4.920 1.279 83 2HG MET 10 HG1 MET 10 164.788 -5.953 -0.121 84 1HE MET 10 HE1 MET 10 161.389 -4.309 -0.204 85 2HE MET 10 HE2 MET 10 163.007 -4.462 -0.891 86 3HE MET 10 HE3 MET 10 162.726 -3.375 0.469 87 H GLU 11 HN GLU 11 165.067 -8.102 -1.691 88 HA GLU 11 HA GLU 11 167.769 -7.842 -2.581 89 1HB GLU 11 HB2 GLU 11 165.121 -8.119 -3.798 90 2HB GLU 11 HB1 GLU 11 166.193 -7.068 -4.713 91 1HG GLU 11 HG2 GLU 11 166.902 -8.955 -5.659 92 2HG GLU 11 HG1 GLU 11 167.829 -9.169 -4.173 93 H ILE 12 HN ILE 12 167.998 -5.964 -4.403 94 HA ILE 12 HA ILE 12 167.628 -3.480 -2.882 95 HB ILE 12 HB ILE 12 169.271 -2.992 -5.156 96 1HG1 ILE 12 HG12 ILE 12 169.707 -5.430 -5.197 97 2HG1 ILE 12 HG11 ILE 12 171.142 -4.508 -4.766 98 1HG2 ILE 12 HG21 ILE 12 169.697 -1.635 -3.385 99 2HG2 ILE 12 HG22 ILE 12 170.991 -2.810 -3.157 100 3HG2 ILE 12 HG23 ILE 12 169.515 -2.928 -2.201 101 1HD1 ILE 12 HD11 ILE 12 170.013 -5.075 -2.328 102 2HD1 ILE 12 HD12 ILE 12 171.364 -5.925 -3.078 103 3HD1 ILE 12 HD13 ILE 12 169.721 -6.537 -3.268 104 H THR 13 HN THR 13 165.684 -2.686 -3.415 105 HA THR 13 HA THR 13 164.472 -2.871 -5.947 106 HB THR 13 HB THR 13 162.823 -1.368 -5.108 107 HG1 THR 13 HG1 THR 13 164.876 -0.500 -3.383 108 1HG2 THR 13 HG21 THR 13 163.042 -3.561 -3.874 109 2HG2 THR 13 HG22 THR 13 162.178 -2.266 -3.043 110 3HG2 THR 13 HG23 THR 13 163.841 -2.645 -2.595 111 HA PRO 14 HA PRO 14 166.190 0.140 -8.649 112 1HB PRO 14 HB2 PRO 14 163.926 1.867 -8.850 113 2HB PRO 14 HB1 PRO 14 164.427 0.611 -9.983 114 1HG PRO 14 HG2 PRO 14 162.384 0.516 -7.841 115 2HG PRO 14 HG1 PRO 14 162.471 -0.397 -9.357 116 1HD PRO 14 HD2 PRO 14 162.976 -1.556 -6.993 117 2HD PRO 14 HD1 PRO 14 163.883 -2.003 -8.453 118 H ALA 15 HN ALA 15 164.228 1.417 -5.992 119 HA ALA 15 HA ALA 15 165.418 3.984 -5.927 120 1HB ALA 15 HB1 ALA 15 163.478 4.077 -4.771 121 2HB ALA 15 HB2 ALA 15 164.533 3.707 -3.407 122 3HB ALA 15 HB3 ALA 15 163.618 2.419 -4.189 123 H ILE 16 HN ILE 16 165.986 1.052 -3.988 124 HA ILE 16 HA ILE 16 168.098 2.171 -2.460 125 HB ILE 16 HB ILE 16 167.563 -0.754 -3.010 126 1HG1 ILE 16 HG12 ILE 16 166.672 0.782 -0.585 127 2HG1 ILE 16 HG11 ILE 16 165.665 0.698 -2.027 128 1HG2 ILE 16 HG21 ILE 16 168.878 0.422 -0.579 129 2HG2 ILE 16 HG22 ILE 16 169.807 -0.017 -2.012 130 3HG2 ILE 16 HG23 ILE 16 168.891 -1.248 -1.143 131 1HD1 ILE 16 HD11 ILE 16 165.316 -1.586 -1.791 132 2HD1 ILE 16 HD12 ILE 16 165.247 -0.977 -0.137 133 3HD1 ILE 16 HD13 ILE 16 166.702 -1.784 -0.721 134 H ARG 17 HN ARG 17 168.171 -0.244 -5.086 135 HA ARG 17 HA ARG 17 170.872 -0.535 -5.376 136 1HB ARG 17 HB2 ARG 17 168.578 -1.179 -6.882 137 2HB ARG 17 HB1 ARG 17 169.690 -0.402 -7.992 138 1HG ARG 17 HG2 ARG 17 171.160 -2.247 -6.410 139 2HG ARG 17 HG1 ARG 17 169.724 -3.059 -7.034 140 1HD ARG 17 HD2 ARG 17 170.742 -3.291 -8.986 141 2HD ARG 17 HD1 ARG 17 170.775 -1.537 -9.159 142 HE ARG 17 HE ARG 17 172.932 -1.857 -7.702 143 1HH1 ARG 17 HH11 ARG 17 171.839 -3.816 -10.382 144 2HH1 ARG 17 HH12 ARG 17 173.436 -4.296 -10.841 145 1HH2 ARG 17 HH21 ARG 17 175.032 -2.487 -8.315 146 2HH2 ARG 17 HH22 ARG 17 175.248 -3.543 -9.671 147 H GLN 18 HN GLN 18 168.881 2.121 -6.587 148 HA GLN 18 HA GLN 18 171.014 3.322 -8.078 149 1HB GLN 18 HB2 GLN 18 168.265 3.664 -7.962 150 2HB GLN 18 HB1 GLN 18 168.891 5.149 -7.266 151 1HG GLN 18 HG2 GLN 18 169.199 5.902 -9.320 152 2HG GLN 18 HG1 GLN 18 170.451 4.680 -9.530 153 1HE2 GLN 18 HE21 GLN 18 170.086 4.236 -11.647 154 2HE2 GLN 18 HE22 GLN 18 168.633 3.515 -12.243 155 H HIS 19 HN HIS 19 169.504 3.934 -4.923 156 HA HIS 19 HA HIS 19 170.769 6.230 -4.141 157 1HB HIS 19 HB2 HIS 19 169.346 4.139 -2.858 158 2HB HIS 19 HB1 HIS 19 170.804 4.424 -1.913 159 HD1 HIS 19 HD1 HIS 19 168.472 6.889 -3.646 160 HD2 HIS 19 HD2 HIS 19 170.029 6.038 0.111 161 HE1 HIS 19 HE1 HIS 19 167.606 8.699 -2.128 162 HE2 HIS 19 HE2 HIS 19 168.639 8.216 0.114 163 H VAL 20 HN VAL 20 171.966 2.991 -3.241 164 HA VAL 20 HA VAL 20 174.491 3.865 -2.374 165 HB VAL 20 HB VAL 20 173.780 1.126 -3.431 166 1HG1 VAL 20 HG11 VAL 20 176.175 2.268 -2.212 167 2HG1 VAL 20 HG12 VAL 20 175.971 0.777 -3.131 168 3HG1 VAL 20 HG13 VAL 20 175.598 0.808 -1.408 169 1HG2 VAL 20 HG21 VAL 20 172.727 0.633 -1.506 170 2HG2 VAL 20 HG22 VAL 20 172.527 2.380 -1.376 171 3HG2 VAL 20 HG23 VAL 20 173.851 1.580 -0.531 172 H ALA 21 HN ALA 21 173.371 2.717 -5.524 173 HA ALA 21 HA ALA 21 175.768 2.364 -6.840 174 1HB ALA 21 HB1 ALA 21 173.149 3.435 -7.866 175 2HB ALA 21 HB2 ALA 21 173.744 1.776 -7.935 176 3HB ALA 21 HB3 ALA 21 174.510 3.030 -8.911 177 H ASP 22 HN ASP 22 173.912 5.390 -6.559 178 HA ASP 22 HA ASP 22 175.755 6.998 -7.957 179 1HB ASP 22 HB2 ASP 22 173.661 7.705 -5.898 180 2HB ASP 22 HB1 ASP 22 174.575 8.902 -6.809 181 H ARG 23 HN ARG 23 175.105 6.985 -4.448 182 HA ARG 23 HA ARG 23 177.253 8.524 -3.656 183 1HB ARG 23 HB2 ARG 23 177.069 7.269 -1.459 184 2HB ARG 23 HB1 ARG 23 175.599 8.038 -2.041 185 1HG ARG 23 HG2 ARG 23 175.221 5.639 -3.095 186 2HG ARG 23 HG1 ARG 23 176.277 5.171 -1.763 187 1HD ARG 23 HD2 ARG 23 174.428 6.969 -0.677 188 2HD ARG 23 HD1 ARG 23 173.495 5.895 -1.715 189 HE ARG 23 HE ARG 23 174.728 4.061 -0.426 190 1HH1 ARG 23 HH11 ARG 23 173.784 7.132 0.955 191 2HH1 ARG 23 HH12 ARG 23 173.669 6.506 2.563 192 1HH2 ARG 23 HH21 ARG 23 174.570 3.247 1.683 193 2HH2 ARG 23 HH22 ARG 23 174.111 4.301 2.976 194 H LEU 24 HN LEU 24 177.136 4.986 -4.000 195 HA LEU 24 HA LEU 24 179.627 4.308 -3.077 196 1HB LEU 24 HB2 LEU 24 177.944 2.686 -3.830 197 2HB LEU 24 HB1 LEU 24 178.229 3.162 -5.493 198 HG LEU 24 HG LEU 24 180.578 2.356 -5.268 199 1HD1 LEU 24 HD11 LEU 24 181.442 1.563 -3.359 200 2HD1 LEU 24 HD12 LEU 24 179.951 0.733 -2.912 201 3HD1 LEU 24 HD13 LEU 24 180.131 2.456 -2.588 202 1HD2 LEU 24 HD21 LEU 24 178.230 0.534 -4.932 203 2HD2 LEU 24 HD22 LEU 24 179.863 -0.121 -5.052 204 3HD2 LEU 24 HD23 LEU 24 179.203 0.852 -6.368 205 H ALA 25 HN ALA 25 178.803 5.295 -6.397 206 HA ALA 25 HA ALA 25 181.475 5.232 -7.343 207 1HB ALA 25 HB1 ALA 25 179.684 5.082 -8.922 208 2HB ALA 25 HB2 ALA 25 180.566 6.576 -9.245 209 3HB ALA 25 HB3 ALA 25 179.020 6.629 -8.396 210 H LYS 26 HN LYS 26 179.464 7.706 -5.872 211 HA LYS 26 HA LYS 26 181.181 9.902 -6.385 212 1HB LYS 26 HB2 LYS 26 179.029 9.450 -4.318 213 2HB LYS 26 HB1 LYS 26 179.894 10.973 -4.483 214 1HG LYS 26 HG2 LYS 26 178.936 10.212 -7.048 215 2HG LYS 26 HG1 LYS 26 177.610 10.071 -5.892 216 1HD LYS 26 HD2 LYS 26 179.350 12.504 -6.304 217 2HD LYS 26 HD1 LYS 26 177.695 12.306 -6.884 218 1HE LYS 26 HE2 LYS 26 178.186 11.894 -3.989 219 2HE LYS 26 HE1 LYS 26 178.279 13.545 -4.599 220 1HZ LYS 26 HZ1 LYS 26 176.046 12.904 -3.810 221 2HZ LYS 26 HZ2 LYS 26 175.967 11.734 -5.030 222 3HZ LYS 26 HZ3 LYS 26 176.059 13.374 -5.435 223 H LEU 27 HN LEU 27 180.994 7.507 -3.835 224 HA LEU 27 HA LEU 27 182.627 8.731 -1.926 225 1HB LEU 27 HB2 LEU 27 181.280 6.358 -2.114 226 2HB LEU 27 HB1 LEU 27 182.949 5.823 -2.174 227 HG LEU 27 HG LEU 27 182.321 7.761 -0.038 228 1HD1 LEU 27 HD11 LEU 27 181.562 5.536 1.254 229 2HD1 LEU 27 HD12 LEU 27 180.869 5.211 -0.335 230 3HD1 LEU 27 HD13 LEU 27 180.428 6.679 0.537 231 1HD2 LEU 27 HD21 LEU 27 183.556 5.246 0.695 232 2HD2 LEU 27 HD22 LEU 27 184.172 6.893 0.839 233 3HD2 LEU 27 HD23 LEU 27 184.374 6.007 -0.671 234 H GLU 28 HN GLU 28 183.425 7.416 -4.992 235 HA GLU 28 HA GLU 28 186.082 6.625 -4.536 236 1HB GLU 28 HB2 GLU 28 184.380 6.608 -6.685 237 2HB GLU 28 HB1 GLU 28 185.555 7.825 -7.163 238 1HG GLU 28 HG2 GLU 28 186.590 5.997 -7.992 239 2HG GLU 28 HG1 GLU 28 187.255 5.960 -6.360 240 H LYS 29 HN LYS 29 184.672 9.726 -4.510 241 HA LYS 29 HA LYS 29 187.127 11.104 -5.234 242 1HB LYS 29 HB2 LYS 29 185.861 13.131 -5.083 243 2HB LYS 29 HB1 LYS 29 184.882 11.947 -5.939 244 1HG LYS 29 HG2 LYS 29 183.265 12.622 -4.546 245 2HG LYS 29 HG1 LYS 29 184.056 11.547 -3.392 246 1HD LYS 29 HD2 LYS 29 184.589 13.260 -2.074 247 2HD LYS 29 HD1 LYS 29 185.357 14.111 -3.414 248 1HE LYS 29 HE2 LYS 29 183.230 15.039 -4.091 249 2HE LYS 29 HE1 LYS 29 182.394 14.103 -2.853 250 1HZ LYS 29 HZ1 LYS 29 183.886 16.566 -2.612 251 2HZ LYS 29 HZ2 LYS 29 184.209 15.433 -1.399 252 3HZ LYS 29 HZ3 LYS 29 182.624 15.966 -1.657 253 H TRP 30 HN TRP 30 186.622 9.421 -2.668 254 HA TRP 30 HA TRP 30 187.172 11.452 -0.641 255 1HB TRP 30 HB2 TRP 30 186.068 8.748 -0.645 256 2HB TRP 30 HB1 TRP 30 187.273 8.979 0.615 257 HD1 TRP 30 HD1 TRP 30 183.708 9.743 -0.237 258 HE1 TRP 30 HE1 TRP 30 182.633 11.112 1.658 259 HE3 TRP 30 HE3 TRP 30 187.921 10.899 2.417 260 HZ2 TRP 30 HZ2 TRP 30 183.463 12.500 3.975 261 HZ3 TRP 30 HZ3 TRP 30 187.695 12.251 4.459 262 HH2 TRP 30 HH2 TRP 30 185.511 13.036 5.221 263 H GLN 31 HN GLN 31 189.080 10.498 -2.824 264 HA GLN 31 HA GLN 31 191.340 10.311 -3.008 265 1HB GLN 31 HB2 GLN 31 190.971 11.314 -0.365 266 2HB GLN 31 HB1 GLN 31 192.238 10.097 -0.312 267 1HG GLN 31 HG2 GLN 31 193.028 12.430 -0.689 268 2HG GLN 31 HG1 GLN 31 193.547 11.264 -1.906 269 1HE2 GLN 31 HE21 GLN 31 190.389 12.796 -1.593 270 2HE2 GLN 31 HE22 GLN 31 190.451 13.645 -3.097 271 H THR 32 HN THR 32 189.398 8.096 -1.357 272 HA THR 32 HA THR 32 191.417 6.104 -0.887 273 HB THR 32 HB THR 32 189.072 4.733 -0.784 274 HG1 THR 32 HG1 THR 32 188.367 7.310 0.115 275 1HG2 THR 32 HG21 THR 32 190.435 4.692 1.108 276 2HG2 THR 32 HG22 THR 32 188.942 5.462 1.648 277 3HG2 THR 32 HG23 THR 32 190.366 6.443 1.304 278 H HIS 33 HN HIS 33 190.486 3.768 -1.814 279 HA HIS 33 HA HIS 33 190.558 4.135 -4.733 280 1HB HIS 33 HB2 HIS 33 191.575 1.885 -2.999 281 2HB HIS 33 HB1 HIS 33 191.453 1.769 -4.750 282 HD1 HIS 33 HD1 HIS 33 194.052 1.474 -4.838 283 HD2 HIS 33 HD2 HIS 33 192.761 5.139 -3.367 284 HE1 HIS 33 HE1 HIS 33 196.077 2.963 -4.874 285 HE2 HIS 33 HE2 HIS 33 195.251 5.201 -4.061 286 H LEU 34 HN LEU 34 189.089 2.208 -2.146 287 HA LEU 34 HA LEU 34 187.218 0.905 -2.086 288 1HB LEU 34 HB2 LEU 34 186.211 2.651 -4.330 289 2HB LEU 34 HB1 LEU 34 185.256 1.777 -3.147 290 HG LEU 34 HG LEU 34 185.144 4.040 -2.506 291 1HD1 LEU 34 HD11 LEU 34 186.587 4.116 -0.394 292 2HD1 LEU 34 HD12 LEU 34 187.129 2.506 -0.863 293 3HD1 LEU 34 HD13 LEU 34 185.421 2.804 -0.548 294 1HD2 LEU 34 HD21 LEU 34 186.865 5.586 -2.537 295 2HD2 LEU 34 HD22 LEU 34 187.220 4.589 -3.947 296 3HD2 LEU 34 HD23 LEU 34 188.118 4.347 -2.449 297 H ILE 35 HN ILE 35 188.186 -0.991 -2.836 298 HA ILE 35 HA ILE 35 188.028 -1.541 -5.707 299 HB ILE 35 HB ILE 35 189.203 -3.471 -3.751 300 1HG1 ILE 35 HG12 ILE 35 190.125 -1.217 -3.195 301 2HG1 ILE 35 HG11 ILE 35 191.337 -2.345 -3.791 302 1HG2 ILE 35 HG21 ILE 35 189.199 -4.358 -5.884 303 2HG2 ILE 35 HG22 ILE 35 190.812 -3.652 -5.775 304 3HG2 ILE 35 HG23 ILE 35 189.535 -2.802 -6.644 305 1HD1 ILE 35 HD11 ILE 35 191.762 -0.243 -4.794 306 2HD1 ILE 35 HD12 ILE 35 190.073 -0.056 -5.267 307 3HD1 ILE 35 HD13 ILE 35 191.076 -1.282 -6.044 308 H ASN 36 HN ASN 36 187.282 -3.260 -2.662 309 HA ASN 36 HA ASN 36 185.231 -4.770 -4.133 310 1HB ASN 36 HB2 ASN 36 186.977 -5.427 -1.795 311 2HB ASN 36 HB1 ASN 36 185.424 -6.239 -1.959 312 1HD2 ASN 36 HD21 ASN 36 186.328 -8.236 -2.327 313 2HD2 ASN 36 HD22 ASN 36 187.152 -8.635 -3.793 314 HA PRO 37 HA PRO 37 182.771 -2.085 -1.296 315 1HB PRO 37 HB2 PRO 37 180.949 -1.269 -3.086 316 2HB PRO 37 HB1 PRO 37 182.547 -0.517 -2.989 317 1HG PRO 37 HG2 PRO 37 181.538 -2.580 -4.908 318 2HG PRO 37 HG1 PRO 37 182.529 -1.145 -5.228 319 1HD PRO 37 HD2 PRO 37 183.547 -3.678 -4.984 320 2HD PRO 37 HD1 PRO 37 184.470 -2.206 -4.631 321 H HIS 38 HN HIS 38 182.185 -4.122 -0.281 322 HA HIS 38 HA HIS 38 180.084 -5.713 -1.452 323 1HB HIS 38 HB2 HIS 38 182.043 -6.151 0.489 324 2HB HIS 38 HB1 HIS 38 180.524 -6.181 1.381 325 HD1 HIS 38 HD1 HIS 38 182.479 -8.652 0.640 326 HD2 HIS 38 HD2 HIS 38 178.811 -7.722 -1.074 327 HE1 HIS 38 HE1 HIS 38 181.622 -10.811 -0.325 328 HE2 HIS 38 HE2 HIS 38 179.358 -10.242 -1.273 329 H ILE 39 HN ILE 39 178.190 -4.657 -1.621 330 HA ILE 39 HA ILE 39 177.193 -3.075 0.614 331 HB ILE 39 HB ILE 39 175.834 -3.555 -2.032 332 1HG1 ILE 39 HG12 ILE 39 177.997 -2.609 -2.526 333 2HG1 ILE 39 HG11 ILE 39 176.788 -1.338 -2.688 334 1HG2 ILE 39 HG21 ILE 39 174.503 -1.680 -1.517 335 2HG2 ILE 39 HG22 ILE 39 175.548 -1.209 -0.177 336 3HG2 ILE 39 HG23 ILE 39 174.543 -2.653 -0.047 337 1HD1 ILE 39 HD11 ILE 39 177.400 -0.621 -0.357 338 2HD1 ILE 39 HD12 ILE 39 178.642 -0.387 -1.587 339 3HD1 ILE 39 HD13 ILE 39 178.759 -1.740 -0.462 340 H ILE 40 HN ILE 40 176.244 -4.193 2.188 341 HA ILE 40 HA ILE 40 174.507 -6.453 1.468 342 HB ILE 40 HB ILE 40 175.911 -5.809 4.063 343 1HG1 ILE 40 HG12 ILE 40 176.964 -8.038 3.658 344 2HG1 ILE 40 HG11 ILE 40 176.157 -8.092 2.095 345 1HG2 ILE 40 HG21 ILE 40 173.691 -7.710 3.474 346 2HG2 ILE 40 HG22 ILE 40 173.971 -6.708 4.898 347 3HG2 ILE 40 HG23 ILE 40 174.927 -8.168 4.646 348 1HD1 ILE 40 HD11 ILE 40 178.635 -7.284 2.319 349 2HD1 ILE 40 HD12 ILE 40 177.870 -5.751 2.733 350 3HD1 ILE 40 HD13 ILE 40 177.529 -6.514 1.181 351 H LEU 41 HN LEU 41 172.530 -5.522 1.114 352 HA LEU 41 HA LEU 41 171.484 -3.748 3.216 353 1HB LEU 41 HB2 LEU 41 171.482 -2.694 1.061 354 2HB LEU 41 HB1 LEU 41 170.695 -4.078 0.327 355 HG LEU 41 HG LEU 41 169.091 -3.022 2.491 356 1HD1 LEU 41 HD11 LEU 41 170.176 -1.101 0.495 357 2HD1 LEU 41 HD12 LEU 41 169.788 -0.863 2.199 358 3HD1 LEU 41 HD13 LEU 41 168.494 -0.949 1.003 359 1HD2 LEU 41 HD21 LEU 41 168.452 -4.518 0.542 360 2HD2 LEU 41 HD22 LEU 41 168.469 -3.060 -0.451 361 3HD2 LEU 41 HD23 LEU 41 167.352 -3.189 0.914 362 H SER 42 HN SER 42 170.504 -5.008 4.690 363 HA SER 42 HA SER 42 168.583 -7.014 3.713 364 1HB SER 42 HB2 SER 42 169.893 -6.898 6.437 365 2HB SER 42 HB1 SER 42 168.870 -8.190 5.808 366 HG SER 42 HG SER 42 171.521 -7.782 5.463 367 H LYS 43 HN LYS 43 166.518 -7.072 4.554 368 HA LYS 43 HA LYS 43 165.613 -4.584 5.784 369 1HB LYS 43 HB2 LYS 43 164.566 -5.804 3.706 370 2HB LYS 43 HB1 LYS 43 163.768 -6.783 4.928 371 1HG LYS 43 HG2 LYS 43 163.576 -3.924 5.438 372 2HG LYS 43 HG1 LYS 43 162.861 -4.412 3.902 373 1HD LYS 43 HD2 LYS 43 161.161 -5.494 4.900 374 2HD LYS 43 HD1 LYS 43 162.205 -6.179 6.148 375 1HE LYS 43 HE2 LYS 43 160.411 -4.551 6.918 376 2HE LYS 43 HE1 LYS 43 162.054 -4.249 7.481 377 1HZ LYS 43 HZ1 LYS 43 160.531 -2.371 6.417 378 2HZ LYS 43 HZ2 LYS 43 161.264 -2.940 5.002 379 3HZ LYS 43 HZ3 LYS 43 162.218 -2.364 6.275 380 H GLU 44 HN GLU 44 165.798 -4.615 7.946 381 HA GLU 44 HA GLU 44 165.169 -7.069 9.398 382 1HB GLU 44 HB2 GLU 44 167.133 -5.165 9.745 383 2HB GLU 44 HB1 GLU 44 165.972 -4.760 10.999 384 1HG GLU 44 HG2 GLU 44 167.742 -6.300 11.756 385 2HG GLU 44 HG1 GLU 44 166.118 -6.964 11.929 386 HA PRO 45 HA PRO 45 160.998 -6.186 10.528 387 1HB PRO 45 HB2 PRO 45 161.940 -6.595 13.308 388 2HB PRO 45 HB1 PRO 45 160.621 -7.377 12.442 389 1HG PRO 45 HG2 PRO 45 163.151 -8.458 12.906 390 2HG PRO 45 HG1 PRO 45 161.957 -9.060 11.749 391 1HD PRO 45 HD2 PRO 45 164.488 -7.870 11.197 392 2HD PRO 45 HD1 PRO 45 163.257 -8.385 10.032 393 H GLN 46 HN GLN 46 163.474 -4.896 12.753 394 HA GLN 46 HA GLN 46 161.785 -2.551 13.207 395 1HB GLN 46 HB2 GLN 46 162.944 -4.050 15.037 396 2HB GLN 46 HB1 GLN 46 164.328 -3.021 14.695 397 1HG GLN 46 HG2 GLN 46 162.973 -2.245 16.603 398 2HG GLN 46 HG1 GLN 46 163.099 -1.057 15.305 399 1HE2 GLN 46 HE21 GLN 46 161.029 -3.910 15.535 400 2HE2 GLN 46 HE22 GLN 46 159.532 -3.050 15.466 401 H GLY 47 HN GLY 47 163.148 -2.727 10.685 402 1HA GLY 47 HA2 GLY 47 163.889 -0.460 9.839 403 2HA GLY 47 HA1 GLY 47 165.170 -0.598 11.029 404 H PHE 48 HN PHE 48 165.738 -0.093 8.436 405 HA PHE 48 HA PHE 48 166.432 -2.501 7.009 406 1HB PHE 48 HB2 PHE 48 166.323 0.351 6.474 407 2HB PHE 48 HB1 PHE 48 167.830 -0.342 5.895 408 HD1 PHE 48 HD1 PHE 48 167.659 -0.440 3.612 409 HD2 PHE 48 HD2 PHE 48 164.394 -1.786 5.981 410 HE1 PHE 48 HE1 PHE 48 166.503 -1.209 1.584 411 HE2 PHE 48 HE2 PHE 48 163.242 -2.553 3.947 412 HZ PHE 48 HZ PHE 48 164.297 -2.273 1.750 413 H VAL 49 HN VAL 49 168.360 -3.518 7.007 414 HA VAL 49 HA VAL 49 170.521 -2.354 8.637 415 HB VAL 49 HB VAL 49 169.966 -5.254 7.983 416 1HG1 VAL 49 HG11 VAL 49 171.813 -5.509 9.813 417 2HG1 VAL 49 HG12 VAL 49 172.291 -3.898 9.277 418 3HG1 VAL 49 HG13 VAL 49 172.266 -5.238 8.130 419 1HG2 VAL 49 HG21 VAL 49 168.645 -3.824 9.790 420 2HG2 VAL 49 HG22 VAL 49 170.068 -4.211 10.758 421 3HG2 VAL 49 HG23 VAL 49 169.091 -5.508 10.068 422 H ALA 50 HN ALA 50 171.525 -1.163 7.004 423 HA ALA 50 HA ALA 50 172.469 -2.642 4.652 424 1HB ALA 50 HB1 ALA 50 172.744 -0.581 3.554 425 2HB ALA 50 HB2 ALA 50 172.672 0.325 5.065 426 3HB ALA 50 HB3 ALA 50 171.219 -0.448 4.430 427 H ASP 51 HN ASP 51 174.358 -3.621 5.031 428 HA ASP 51 HA ASP 51 176.446 -2.130 6.473 429 1HB ASP 51 HB2 ASP 51 175.699 -4.993 6.369 430 2HB ASP 51 HB1 ASP 51 177.426 -4.650 6.383 431 H ALA 52 HN ALA 52 177.529 -1.026 4.929 432 HA ALA 52 HA ALA 52 178.326 -2.438 2.483 433 1HB ALA 52 HB1 ALA 52 178.918 -0.167 1.650 434 2HB ALA 52 HB2 ALA 52 178.289 0.497 3.159 435 3HB ALA 52 HB3 ALA 52 177.214 -0.365 2.057 436 H THR 53 HN THR 53 180.191 -3.507 2.767 437 HA THR 53 HA THR 53 182.373 -2.165 4.216 438 HB THR 53 HB THR 53 183.290 -4.269 4.706 439 HG1 THR 53 HG1 THR 53 181.744 -5.184 2.541 440 1HG2 THR 53 HG21 THR 53 180.331 -4.800 4.687 441 2HG2 THR 53 HG22 THR 53 181.207 -3.940 5.953 442 3HG2 THR 53 HG23 THR 53 181.548 -5.643 5.646 443 H ILE 54 HN ILE 54 183.912 -1.260 3.026 444 HA ILE 54 HA ILE 54 184.376 -2.303 0.307 445 HB ILE 54 HB ILE 54 185.116 0.481 1.156 446 1HG1 ILE 54 HG12 ILE 54 182.636 0.178 -0.410 447 2HG1 ILE 54 HG11 ILE 54 182.516 -0.354 1.263 448 1HG2 ILE 54 HG21 ILE 54 184.275 -0.307 -1.584 449 2HG2 ILE 54 HG22 ILE 54 185.862 -0.814 -1.010 450 3HG2 ILE 54 HG23 ILE 54 185.452 0.899 -1.066 451 1HD1 ILE 54 HD11 ILE 54 183.336 1.844 1.992 452 2HD1 ILE 54 HD12 ILE 54 181.835 1.945 1.074 453 3HD1 ILE 54 HD13 ILE 54 183.367 2.368 0.309 454 H ASN 55 HN ASN 55 186.471 -2.587 -0.416 455 HA ASN 55 HA ASN 55 188.467 -2.867 1.683 456 1HB ASN 55 HB2 ASN 55 188.090 -4.716 0.073 457 2HB ASN 55 HB1 ASN 55 188.611 -3.657 -1.235 458 1HD2 ASN 55 HD21 ASN 55 189.854 -4.263 2.032 459 2HD2 ASN 55 HD22 ASN 55 191.453 -4.680 1.531 460 H THR 56 HN THR 56 189.225 -0.844 2.142 461 HA THR 56 HA THR 56 190.143 0.864 -0.037 462 HB THR 56 HB THR 56 190.713 2.364 2.049 463 HG1 THR 56 HG1 THR 56 189.434 1.887 3.817 464 1HG2 THR 56 HG21 THR 56 187.785 1.973 1.698 465 2HG2 THR 56 HG22 THR 56 188.753 2.542 0.336 466 3HG2 THR 56 HG23 THR 56 188.719 3.462 1.841 467 HA PRO 57 HA PRO 57 194.440 -0.010 0.321 468 1HB PRO 57 HB2 PRO 57 195.593 2.470 0.381 469 2HB PRO 57 HB1 PRO 57 194.948 1.724 -1.086 470 1HG PRO 57 HG2 PRO 57 193.687 3.752 0.720 471 2HG PRO 57 HG1 PRO 57 193.699 3.682 -1.053 472 1HD PRO 57 HD2 PRO 57 191.564 2.902 0.387 473 2HD PRO 57 HD1 PRO 57 192.018 2.095 -1.127 474 H ASN 58 HN ASN 58 193.028 2.148 2.674 475 HA ASN 58 HA ASN 58 195.239 1.628 4.534 476 1HB ASN 58 HB2 ASN 58 193.139 3.761 4.365 477 2HB ASN 58 HB1 ASN 58 193.902 3.408 5.912 478 1HD2 ASN 58 HD21 ASN 58 194.586 4.264 2.563 479 2HD2 ASN 58 HD22 ASN 58 196.041 5.136 2.893 480 H GLY 59 HN GLY 59 193.079 -0.291 3.797 481 1HA GLY 59 HA2 GLY 59 192.602 -1.960 5.617 482 2HA GLY 59 HA1 GLY 59 191.861 -0.614 6.470 483 H VAL 60 HN VAL 60 189.758 -1.124 6.548 484 HA VAL 60 HA VAL 60 188.370 -1.481 3.989 485 HB VAL 60 HB VAL 60 188.488 -3.404 6.205 486 1HG1 VAL 60 HG11 VAL 60 186.296 -2.603 6.750 487 2HG1 VAL 60 HG12 VAL 60 186.129 -4.147 5.916 488 3HG1 VAL 60 HG13 VAL 60 185.809 -2.642 5.055 489 1HG2 VAL 60 HG21 VAL 60 189.196 -3.977 3.972 490 2HG2 VAL 60 HG22 VAL 60 187.605 -3.567 3.328 491 3HG2 VAL 60 HG23 VAL 60 187.789 -4.947 4.410 492 H LEU 61 HN LEU 61 186.619 -0.226 3.775 493 HA LEU 61 HA LEU 61 185.826 1.423 6.044 494 1HB LEU 61 HB2 LEU 61 185.254 1.539 3.091 495 2HB LEU 61 HB1 LEU 61 184.399 2.551 4.239 496 HG LEU 61 HG LEU 61 187.363 2.573 3.676 497 1HD1 LEU 61 HD11 LEU 61 186.992 4.314 2.332 498 2HD1 LEU 61 HD12 LEU 61 185.852 5.051 3.458 499 3HD1 LEU 61 HD13 LEU 61 185.303 3.807 2.334 500 1HD2 LEU 61 HD21 LEU 61 187.131 4.664 5.230 501 2HD2 LEU 61 HD22 LEU 61 187.347 3.056 5.924 502 3HD2 LEU 61 HD23 LEU 61 185.742 3.784 5.868 503 H VAL 62 HN VAL 62 184.538 0.188 7.345 504 HA VAL 62 HA VAL 62 182.337 -1.308 6.154 505 HB VAL 62 HB VAL 62 183.599 -2.440 7.890 506 1HG1 VAL 62 HG11 VAL 62 184.269 -1.517 9.804 507 2HG1 VAL 62 HG12 VAL 62 182.663 -0.879 10.157 508 3HG1 VAL 62 HG13 VAL 62 183.759 0.022 9.110 509 1HG2 VAL 62 HG21 VAL 62 181.056 -2.675 7.633 510 2HG2 VAL 62 HG22 VAL 62 180.960 -1.767 9.141 511 3HG2 VAL 62 HG23 VAL 62 181.803 -3.315 9.096 512 H ALA 63 HN ALA 63 180.760 0.066 5.552 513 HA ALA 63 HA ALA 63 179.875 2.164 7.378 514 1HB ALA 63 HB1 ALA 63 180.203 2.305 4.763 515 2HB ALA 63 HB2 ALA 63 178.925 3.204 5.579 516 3HB ALA 63 HB3 ALA 63 178.550 1.691 4.759 517 H SER 64 HN SER 64 178.235 1.851 8.738 518 HA SER 64 HA SER 64 176.391 -0.381 8.214 519 1HB SER 64 HB2 SER 64 176.248 0.655 10.916 520 2HB SER 64 HB1 SER 64 176.612 -0.979 10.361 521 HG SER 64 HG SER 64 178.773 -0.341 10.085 522 H GLY 65 HN GLY 65 174.316 0.030 7.836 523 1HA GLY 65 HA2 GLY 65 173.274 2.705 8.547 524 2HA GLY 65 HA1 GLY 65 172.885 1.913 7.027 525 H LYS 66 HN LYS 66 171.780 2.548 10.077 526 HA LYS 66 HA LYS 66 169.844 0.340 9.901 527 1HB LYS 66 HB2 LYS 66 170.341 1.302 12.623 528 2HB LYS 66 HB1 LYS 66 170.179 -0.341 12.022 529 1HG LYS 66 HG2 LYS 66 172.584 0.151 11.048 530 2HG LYS 66 HG1 LYS 66 172.610 1.328 12.361 531 1HD LYS 66 HD2 LYS 66 173.188 -0.331 13.728 532 2HD LYS 66 HD1 LYS 66 171.573 -1.004 13.494 533 1HE LYS 66 HE2 LYS 66 172.802 -2.803 12.840 534 2HE LYS 66 HE1 LYS 66 172.709 -1.959 11.294 535 1HZ LYS 66 HZ1 LYS 66 174.980 -2.150 13.161 536 2HZ LYS 66 HZ2 LYS 66 174.880 -0.858 12.073 537 3HZ LYS 66 HZ3 LYS 66 174.942 -2.446 11.496 538 H HIS 67 HN HIS 67 167.915 1.187 9.455 539 HA HIS 67 HA HIS 67 166.798 3.211 11.154 540 1HB HIS 67 HB2 HIS 67 168.261 4.366 9.286 541 2HB HIS 67 HB1 HIS 67 166.841 4.060 8.292 542 HD1 HIS 67 HD1 HIS 67 168.238 6.531 10.462 543 HD2 HIS 67 HD2 HIS 67 164.395 5.186 9.635 544 HE1 HIS 67 HE1 HIS 67 166.701 8.355 11.262 545 HE2 HIS 67 HE2 HIS 67 164.385 7.548 10.685 546 H GLU 68 HN GLU 68 164.568 3.447 10.938 547 HA GLU 68 HA GLU 68 163.091 1.236 10.283 548 1HB GLU 68 HB2 GLU 68 162.305 3.154 11.652 549 2HB GLU 68 HB1 GLU 68 162.100 4.086 10.174 550 1HG GLU 68 HG2 GLU 68 159.965 3.320 10.637 551 2HG GLU 68 HG1 GLU 68 160.554 2.184 9.422 552 H ASP 69 HN ASP 69 163.430 4.162 8.266 553 HA ASP 69 HA ASP 69 162.082 2.873 6.065 554 1HB ASP 69 HB2 ASP 69 162.725 5.566 6.812 555 2HB ASP 69 HB1 ASP 69 163.324 5.265 5.183 556 H MET 70 HN MET 70 162.978 2.532 3.995 557 HA MET 70 HA MET 70 165.400 1.165 3.972 558 1HB MET 70 HB2 MET 70 164.463 0.450 2.080 559 2HB MET 70 HB1 MET 70 163.271 1.727 2.169 560 1HG MET 70 HG2 MET 70 165.871 2.541 1.064 561 2HG MET 70 HG1 MET 70 164.995 1.340 0.128 562 1HE MET 70 HE1 MET 70 161.560 2.747 0.226 563 2HE MET 70 HE2 MET 70 162.625 1.404 -0.185 564 3HE MET 70 HE3 MET 70 162.241 2.626 -1.397 565 H TYR 71 HN TYR 71 164.704 4.291 2.428 566 HA TYR 71 HA TYR 71 167.354 4.863 1.738 567 1HB TYR 71 HB2 TYR 71 164.873 6.506 2.000 568 2HB TYR 71 HB1 TYR 71 166.415 7.326 1.793 569 HD1 TYR 71 HD1 TYR 71 164.103 7.493 -0.118 570 HD2 TYR 71 HD2 TYR 71 167.439 4.855 0.005 571 HE1 TYR 71 HE1 TYR 71 163.948 7.184 -2.553 572 HE2 TYR 71 HE2 TYR 71 167.294 4.541 -2.419 573 HH TYR 71 HH TYR 71 166.012 6.371 -4.440 574 H THR 72 HN THR 72 165.451 6.124 4.490 575 HA THR 72 HA THR 72 167.364 7.701 5.668 576 HB THR 72 HB THR 72 166.264 6.970 7.885 577 HG1 THR 72 HG1 THR 72 165.479 4.973 7.189 578 1HG2 THR 72 HG21 THR 72 164.980 8.728 7.545 579 2HG2 THR 72 HG22 THR 72 163.939 7.782 6.479 580 3HG2 THR 72 HG23 THR 72 165.327 8.646 5.818 581 H ALA 73 HN ALA 73 167.188 4.222 5.591 582 HA ALA 73 HA ALA 73 169.087 3.727 7.651 583 1HB ALA 73 HB1 ALA 73 168.244 1.981 5.338 584 2HB ALA 73 HB2 ALA 73 167.508 2.015 6.941 585 3HB ALA 73 HB3 ALA 73 169.167 1.449 6.745 586 H ILE 74 HN ILE 74 169.350 3.605 4.094 587 HA ILE 74 HA ILE 74 172.134 3.188 4.061 588 HB ILE 74 HB ILE 74 171.581 4.634 1.712 589 1HG1 ILE 74 HG12 ILE 74 169.287 2.802 2.452 590 2HG1 ILE 74 HG11 ILE 74 169.193 4.524 2.089 591 1HG2 ILE 74 HG21 ILE 74 171.338 1.686 1.688 592 2HG2 ILE 74 HG22 ILE 74 172.819 2.370 2.360 593 3HG2 ILE 74 HG23 ILE 74 172.340 2.753 0.706 594 1HD1 ILE 74 HD11 ILE 74 169.811 4.087 -0.213 595 2HD1 ILE 74 HD12 ILE 74 168.398 3.135 0.244 596 3HD1 ILE 74 HD13 ILE 74 169.983 2.370 0.142 597 H ASN 75 HN ASN 75 170.223 6.074 4.421 598 HA ASN 75 HA ASN 75 172.218 7.971 3.789 599 1HB ASN 75 HB2 ASN 75 169.663 8.025 5.345 600 2HB ASN 75 HB1 ASN 75 170.769 9.387 5.492 601 1HD2 ASN 75 HD21 ASN 75 168.060 8.763 4.131 602 2HD2 ASN 75 HD22 ASN 75 168.236 9.495 2.577 603 H GLU 76 HN GLU 76 171.122 6.727 6.948 604 HA GLU 76 HA GLU 76 173.002 8.024 8.535 605 1HB GLU 76 HB2 GLU 76 171.058 5.951 8.863 606 2HB GLU 76 HB1 GLU 76 172.549 5.440 9.642 607 1HG GLU 76 HG2 GLU 76 171.632 8.201 10.170 608 2HG GLU 76 HG1 GLU 76 170.694 6.886 10.877 609 H LEU 77 HN LEU 77 173.284 5.182 6.531 610 HA LEU 77 HA LEU 77 175.656 4.117 7.599 611 1HB LEU 77 HB2 LEU 77 174.354 2.779 6.127 612 2HB LEU 77 HB1 LEU 77 174.428 3.980 4.856 613 HG LEU 77 HG LEU 77 176.958 2.709 5.804 614 1HD1 LEU 77 HD11 LEU 77 176.633 0.732 4.760 615 2HD1 LEU 77 HD12 LEU 77 175.566 1.424 3.540 616 3HD1 LEU 77 HD13 LEU 77 174.947 1.068 5.152 617 1HD2 LEU 77 HD21 LEU 77 176.152 4.482 3.718 618 2HD2 LEU 77 HD22 LEU 77 176.778 2.999 2.999 619 3HD2 LEU 77 HD23 LEU 77 177.771 3.919 4.130 620 H ILE 78 HN ILE 78 175.189 6.305 4.807 621 HA ILE 78 HA ILE 78 177.896 6.636 4.204 622 HB ILE 78 HB ILE 78 176.098 7.358 2.690 623 1HG1 ILE 78 HG12 ILE 78 177.299 9.936 2.785 624 2HG1 ILE 78 HG11 ILE 78 178.511 8.765 3.292 625 1HG2 ILE 78 HG21 ILE 78 175.466 9.154 4.939 626 2HG2 ILE 78 HG22 ILE 78 174.409 8.427 3.730 627 3HG2 ILE 78 HG23 ILE 78 175.352 9.861 3.329 628 1HD1 ILE 78 HD11 ILE 78 177.448 9.307 0.665 629 2HD1 ILE 78 HD12 ILE 78 177.336 7.596 1.080 630 3HD1 ILE 78 HD13 ILE 78 178.896 8.420 1.140 631 H ASN 79 HN ASN 79 175.892 8.153 6.636 632 HA ASN 79 HA ASN 79 177.652 10.292 7.250 633 1HB ASN 79 HB2 ASN 79 175.829 10.885 8.408 634 2HB ASN 79 HB1 ASN 79 175.138 9.283 8.201 635 1HD2 ASN 79 HD21 ASN 79 175.321 7.783 9.843 636 2HD2 ASN 79 HD22 ASN 79 175.824 8.207 11.439 637 H LYS 80 HN LYS 80 177.175 7.086 8.703 638 HA LYS 80 HA LYS 80 179.104 7.296 10.716 639 1HB LYS 80 HB2 LYS 80 178.111 4.867 9.221 640 2HB LYS 80 HB1 LYS 80 179.107 4.796 10.668 641 1HG LYS 80 HG2 LYS 80 176.368 6.036 10.493 642 2HG LYS 80 HG1 LYS 80 176.738 4.442 11.155 643 1HD LYS 80 HD2 LYS 80 178.241 5.560 12.807 644 2HD LYS 80 HD1 LYS 80 177.654 7.114 12.210 645 1HE LYS 80 HE2 LYS 80 175.321 5.796 12.693 646 2HE LYS 80 HE1 LYS 80 176.359 5.149 13.963 647 1HZ LYS 80 HZ1 LYS 80 176.788 7.890 13.892 648 2HZ LYS 80 HZ2 LYS 80 175.996 7.002 15.094 649 3HZ LYS 80 HZ3 LYS 80 175.111 7.673 13.819 650 H LEU 81 HN LEU 81 179.386 5.807 7.486 651 HA LEU 81 HA LEU 81 182.085 5.139 7.635 652 1HB LEU 81 HB2 LEU 81 180.175 4.727 5.813 653 2HB LEU 81 HB1 LEU 81 181.009 6.051 5.024 654 HG LEU 81 HG LEU 81 181.722 3.740 4.322 655 1HD1 LEU 81 HD11 LEU 81 183.753 4.536 3.774 656 2HD1 LEU 81 HD12 LEU 81 184.152 4.970 5.436 657 3HD1 LEU 81 HD13 LEU 81 183.128 6.031 4.469 658 1HD2 LEU 81 HD21 LEU 81 183.397 3.565 6.761 659 2HD2 LEU 81 HD22 LEU 81 182.771 2.287 5.721 660 3HD2 LEU 81 HD23 LEU 81 181.709 3.072 6.889 661 H GLU 82 HN GLU 82 180.545 8.199 7.018 662 HA GLU 82 HA GLU 82 182.708 9.557 5.839 663 1HB GLU 82 HB2 GLU 82 180.194 10.247 6.184 664 2HB GLU 82 HB1 GLU 82 180.804 10.967 7.668 665 1HG GLU 82 HG2 GLU 82 182.201 12.452 6.498 666 2HG GLU 82 HG1 GLU 82 182.014 11.562 4.988 667 H ARG 83 HN ARG 83 181.616 9.512 9.234 668 HA ARG 83 HA ARG 83 183.727 11.027 10.276 669 1HB ARG 83 HB2 ARG 83 181.560 10.396 11.428 670 2HB ARG 83 HB1 ARG 83 182.281 8.824 11.746 671 1HG ARG 83 HG2 ARG 83 183.846 9.697 13.223 672 2HG ARG 83 HG1 ARG 83 183.661 11.338 12.596 673 1HD ARG 83 HD2 ARG 83 181.227 11.125 13.454 674 2HD ARG 83 HD1 ARG 83 181.857 9.792 14.421 675 HE ARG 83 HE ARG 83 183.578 11.775 14.991 676 1HH1 ARG 83 HH11 ARG 83 180.088 11.647 14.968 677 2HH1 ARG 83 HH12 ARG 83 179.913 12.833 16.217 678 1HH2 ARG 83 HH21 ARG 83 183.345 13.333 16.636 679 2HH2 ARG 83 HH22 ARG 83 181.760 13.791 17.165 680 H GLN 84 HN GLN 84 183.350 7.500 10.048 681 HA GLN 84 HA GLN 84 185.778 6.797 11.247 682 1HB GLN 84 HB2 GLN 84 184.377 5.287 9.042 683 2HB GLN 84 HB1 GLN 84 185.480 4.623 10.235 684 1HG GLN 84 HG2 GLN 84 183.916 4.930 11.988 685 2HG GLN 84 HG1 GLN 84 182.860 5.900 10.965 686 1HE2 GLN 84 HE21 GLN 84 183.126 4.148 8.661 687 2HE2 GLN 84 HE22 GLN 84 182.192 2.743 9.011 688 H LEU 85 HN LEU 85 184.999 7.764 7.973 689 HA LEU 85 HA LEU 85 187.366 6.950 6.706 690 1HB LEU 85 HB2 LEU 85 185.066 8.564 6.075 691 2HB LEU 85 HB1 LEU 85 186.520 9.334 5.469 692 HG LEU 85 HG LEU 85 185.843 6.459 4.883 693 1HD1 LEU 85 HD11 LEU 85 185.473 8.476 2.775 694 2HD1 LEU 85 HD12 LEU 85 184.270 8.493 4.064 695 3HD1 LEU 85 HD13 LEU 85 184.546 7.020 3.133 696 1HD2 LEU 85 HD21 LEU 85 187.472 6.660 3.146 697 2HD2 LEU 85 HD22 LEU 85 188.203 7.228 4.646 698 3HD2 LEU 85 HD23 LEU 85 187.649 8.390 3.441 699 H ASN 86 HN ASN 86 186.489 10.153 8.010 700 HA ASN 86 HA ASN 86 188.887 11.451 7.514 701 1HB ASN 86 HB2 ASN 86 187.071 11.866 9.897 702 2HB ASN 86 HB1 ASN 86 188.240 13.023 9.268 703 1HD2 ASN 86 HD21 ASN 86 185.064 12.186 9.299 704 2HD2 ASN 86 HD22 ASN 86 184.542 12.985 7.859 705 H LYS 87 HN LYS 87 187.961 9.425 10.252 706 HA LYS 87 HA LYS 87 190.186 9.890 11.881 707 1HB LYS 87 HB2 LYS 87 188.252 8.751 12.754 708 2HB LYS 87 HB1 LYS 87 188.431 7.449 11.587 709 1HG LYS 87 HG2 LYS 87 190.730 7.924 13.374 710 2HG LYS 87 HG1 LYS 87 189.264 7.287 14.123 711 1HD LYS 87 HD2 LYS 87 190.524 6.080 11.669 712 2HD LYS 87 HD1 LYS 87 190.915 5.562 13.310 713 1HE LYS 87 HE2 LYS 87 188.797 4.689 13.675 714 2HE LYS 87 HE1 LYS 87 188.067 5.664 12.400 715 1HZ LYS 87 HZ1 LYS 87 188.717 4.217 10.792 716 2HZ LYS 87 HZ2 LYS 87 188.569 3.121 12.070 717 3HZ LYS 87 HZ3 LYS 87 190.094 3.702 11.629 718 H LEU 88 HN LEU 88 189.649 7.362 9.437 719 HA LEU 88 HA LEU 88 192.351 6.380 9.712 720 1HB LEU 88 HB2 LEU 88 190.549 4.821 9.258 721 2HB LEU 88 HB1 LEU 88 190.145 5.671 7.780 722 HG LEU 88 HG LEU 88 192.920 4.822 7.779 723 1HD1 LEU 88 HD11 LEU 88 191.254 2.442 7.472 724 2HD1 LEU 88 HD12 LEU 88 191.358 3.032 9.130 725 3HD1 LEU 88 HD13 LEU 88 192.828 2.637 8.241 726 1HD2 LEU 88 HD21 LEU 88 191.697 3.540 5.729 727 2HD2 LEU 88 HD22 LEU 88 192.259 5.210 5.667 728 3HD2 LEU 88 HD23 LEU 88 190.567 4.862 6.020 729 H GLN 89 HN GLN 89 190.858 8.869 7.960 730 HA GLN 89 HA GLN 89 192.562 8.763 5.648 731 1HB GLN 89 HB2 GLN 89 190.327 10.405 6.592 732 2HB GLN 89 HB1 GLN 89 191.546 11.321 5.719 733 1HG GLN 89 HG2 GLN 89 190.750 8.798 4.452 734 2HG GLN 89 HG1 GLN 89 189.479 10.015 4.566 735 1HE2 GLN 89 HE21 GLN 89 192.686 9.330 3.336 736 2HE2 GLN 89 HE22 GLN 89 192.689 10.555 2.118 737 H HIS 90 HN HIS 90 192.666 10.240 8.794 738 HA HIS 90 HA HIS 90 194.565 12.251 8.254 739 1HB HIS 90 HB2 HIS 90 193.055 11.905 10.327 740 2HB HIS 90 HB1 HIS 90 194.336 10.853 10.912 741 HD1 HIS 90 HD1 HIS 90 196.696 12.692 9.806 742 HD2 HIS 90 HD2 HIS 90 193.499 13.929 12.156 743 HE1 HIS 90 HE1 HIS 90 197.473 14.793 10.945 744 HE2 HIS 90 HE2 HIS 90 195.486 15.578 12.283 745 H LYS 91 HN LYS 91 196.124 10.730 10.722 746 HA LYS 91 HA LYS 91 198.509 10.324 9.463 747 1HB LYS 91 HB2 LYS 91 197.283 9.081 11.897 748 2HB LYS 91 HB1 LYS 91 198.851 8.521 11.332 749 1HG LYS 91 HG2 LYS 91 199.839 10.221 12.340 750 2HG LYS 91 HG1 LYS 91 198.890 11.361 11.386 751 1HD LYS 91 HD2 LYS 91 198.086 12.000 13.389 752 2HD LYS 91 HD1 LYS 91 197.056 10.577 13.222 753 1HE LYS 91 HE2 LYS 91 198.213 10.754 15.425 754 2HE LYS 91 HE1 LYS 91 198.544 9.260 14.551 755 1HZ LYS 91 HZ1 LYS 91 200.400 11.429 14.052 756 2HZ LYS 91 HZ2 LYS 91 200.699 9.785 14.305 757 3HZ LYS 91 HZ3 LYS 91 200.431 10.807 15.625 758 H GLY 92 HN GLY 92 195.850 8.021 9.781 759 1HA GLY 92 HA2 GLY 92 195.371 6.105 8.616 760 2HA GLY 92 HA1 GLY 92 196.523 6.652 7.408 761 H GLU 93 HN GLU 93 195.838 4.268 9.605 762 HA GLU 93 HA GLU 93 198.348 2.975 9.154 763 1HB GLU 93 HB2 GLU 93 199.046 4.376 10.998 764 2HB GLU 93 HB1 GLU 93 197.659 3.879 11.955 765 1HG GLU 93 HG2 GLU 93 198.656 1.491 11.651 766 2HG GLU 93 HG1 GLU 93 200.140 2.369 11.286 767 H ALA 94 HN ALA 94 196.576 2.307 12.100 768 HA ALA 94 HA ALA 94 195.545 0.368 12.758 769 1HB ALA 94 HB1 ALA 94 193.398 0.127 11.834 770 2HB ALA 94 HB2 ALA 94 193.916 0.730 10.259 771 3HB ALA 94 HB3 ALA 94 193.794 1.833 11.631 772 H ARG 95 HN ARG 95 194.194 -1.591 11.159 773 HA ARG 95 HA ARG 95 194.574 -3.572 10.114 774 1HB ARG 95 HB2 ARG 95 195.057 -2.286 8.147 775 2HB ARG 95 HB1 ARG 95 196.671 -1.901 8.724 776 1HG ARG 95 HG2 ARG 95 196.057 -4.768 8.424 777 2HG ARG 95 HG1 ARG 95 196.147 -3.825 6.936 778 1HD ARG 95 HD2 ARG 95 198.339 -2.932 8.282 779 2HD ARG 95 HD1 ARG 95 198.270 -4.615 8.802 780 HE ARG 95 HE ARG 95 199.020 -5.200 6.739 781 1HH1 ARG 95 HH11 ARG 95 197.474 -2.081 6.479 782 2HH1 ARG 95 HH12 ARG 95 197.876 -1.883 4.806 783 1HH2 ARG 95 HH21 ARG 95 199.549 -4.941 4.539 784 2HH2 ARG 95 HH22 ARG 95 199.054 -3.506 3.704 785 H ARG 96 HN ARG 96 195.271 -5.135 11.408 786 HA ARG 96 HA ARG 96 197.902 -4.971 12.642 787 1HB ARG 96 HB2 ARG 96 195.877 -5.606 13.960 788 2HB ARG 96 HB1 ARG 96 195.760 -7.074 12.999 789 1HG ARG 96 HG2 ARG 96 196.818 -7.393 15.216 790 2HG ARG 96 HG1 ARG 96 197.836 -7.886 13.864 791 1HD ARG 96 HD2 ARG 96 199.123 -6.663 15.536 792 2HD ARG 96 HD1 ARG 96 199.061 -5.780 14.012 793 HE ARG 96 HE ARG 96 197.892 -4.108 15.057 794 1HH1 ARG 96 HH11 ARG 96 197.933 -6.931 17.111 795 2HH1 ARG 96 HH12 ARG 96 197.258 -6.103 18.474 796 1HH2 ARG 96 HH21 ARG 96 197.003 -3.018 16.850 797 2HH2 ARG 96 HH22 ARG 96 196.730 -3.883 18.326 798 H ALA 97 HN ALA 97 197.052 -5.830 9.706 799 HA ALA 97 HA ALA 97 197.970 -7.128 8.083 800 1HB ALA 97 HB1 ALA 97 200.166 -8.103 8.444 801 2HB ALA 97 HB2 ALA 97 200.015 -7.841 10.182 802 3HB ALA 97 HB3 ALA 97 200.107 -6.463 9.087 803 H ALA 98 HN ALA 98 198.541 -9.469 7.552 804 HA ALA 98 HA ALA 98 196.669 -11.182 9.013 805 1HB ALA 98 HB1 ALA 98 197.587 -11.008 6.224 806 2HB ALA 98 HB2 ALA 98 196.022 -11.489 6.879 807 3HB ALA 98 HB3 ALA 98 197.354 -12.643 6.844 808 H THR 99 HN THR 99 197.438 -12.567 10.448 809 HA THR 99 HA THR 99 200.191 -13.089 10.805 810 HB THR 99 HB THR 99 198.282 -15.051 11.918 811 HG1 THR 99 HG1 THR 99 198.152 -12.333 12.706 812 1HG2 THR 99 HG21 THR 99 199.643 -13.431 13.843 813 2HG2 THR 99 HG22 THR 99 200.778 -14.016 12.626 814 3HG2 THR 99 HG23 THR 99 199.785 -15.160 13.529 815 H SER 100 HN SER 100 200.261 -15.870 11.308 816 HA SER 100 HA SER 100 200.605 -16.824 8.589 817 1HB SER 100 HB2 SER 100 201.966 -18.517 9.488 818 2HB SER 100 HB1 SER 100 202.272 -17.136 10.542 819 HG SER 100 HG SER 100 201.204 -19.553 11.138 820 H VAL 101 HN VAL 101 197.988 -16.529 8.873 821 HA VAL 101 HA VAL 101 196.815 -19.063 9.727 822 HB VAL 101 HB VAL 101 195.368 -16.668 8.599 823 1HG1 VAL 101 HG11 VAL 101 193.969 -18.562 8.532 824 2HG1 VAL 101 HG12 VAL 101 193.496 -17.678 9.983 825 3HG1 VAL 101 HG13 VAL 101 194.510 -19.116 10.117 826 1HG2 VAL 101 HG21 VAL 101 196.274 -15.678 10.453 827 2HG2 VAL 101 HG22 VAL 101 196.409 -17.198 11.335 828 3HG2 VAL 101 HG23 VAL 101 194.840 -16.411 11.171 829 H LYS 102 HN LYS 102 196.519 -16.950 6.866 830 HA LYS 102 HA LYS 102 195.771 -19.250 5.246 831 1HB LYS 102 HB2 LYS 102 194.812 -16.763 5.214 832 2HB LYS 102 HB1 LYS 102 196.119 -16.542 4.058 833 1HG LYS 102 HG2 LYS 102 194.949 -17.520 2.452 834 2HG LYS 102 HG1 LYS 102 194.653 -18.939 3.457 835 1HD LYS 102 HD2 LYS 102 192.887 -17.402 4.610 836 2HD LYS 102 HD1 LYS 102 192.995 -16.475 3.112 837 1HE LYS 102 HE2 LYS 102 192.464 -19.437 3.195 838 2HE LYS 102 HE1 LYS 102 191.183 -18.224 3.184 839 1HZ LYS 102 HZ1 LYS 102 193.135 -18.862 1.063 840 2HZ LYS 102 HZ2 LYS 102 192.347 -17.366 1.095 841 3HZ LYS 102 HZ3 LYS 102 191.448 -18.792 0.964 842 H ASP 103 HN ASP 103 198.236 -19.744 6.002 843 HA ASP 103 HA ASP 103 200.369 -18.626 4.612 844 1HB ASP 103 HB2 ASP 103 201.469 -20.888 4.983 845 2HB ASP 103 HB1 ASP 103 200.863 -20.077 6.424 846 H ALA 104 HN ALA 104 201.731 -20.225 3.088 847 HA ALA 104 HA ALA 104 200.490 -20.145 0.585 848 1HB ALA 104 HB1 ALA 104 202.793 -21.958 1.251 849 2HB ALA 104 HB2 ALA 104 202.974 -20.209 1.106 850 3HB ALA 104 HB3 ALA 104 202.433 -21.157 -0.279 851 H ASN 105 HN ASN 105 199.295 -21.549 -0.564 852 HA ASN 105 HA ASN 105 198.149 -23.804 0.773 853 1HB ASN 105 HB2 ASN 105 197.880 -22.928 -2.111 854 2HB ASN 105 HB1 ASN 105 196.858 -24.107 -1.293 855 1HD2 ASN 105 HD21 ASN 105 196.721 -21.180 -2.449 856 2HD2 ASN 105 HD22 ASN 105 195.714 -20.388 -1.288 857 H PHE 106 HN PHE 106 200.556 -23.335 -1.744 858 HA PHE 106 HA PHE 106 200.830 -26.214 -2.123 859 1HB PHE 106 HB2 PHE 106 202.455 -24.065 -3.475 860 2HB PHE 106 HB1 PHE 106 202.176 -25.716 -4.015 861 HD1 PHE 106 HD1 PHE 106 200.753 -22.357 -3.744 862 HD2 PHE 106 HD2 PHE 106 200.131 -26.334 -5.126 863 HE1 PHE 106 HE1 PHE 106 198.849 -21.584 -5.097 864 HE2 PHE 106 HE2 PHE 106 198.227 -25.568 -6.483 865 HZ PHE 106 HZ PHE 106 197.584 -23.191 -6.469 866 H VAL 107 HN VAL 107 201.514 -25.407 0.439 867 HA VAL 107 HA VAL 107 204.333 -24.959 0.672 868 HB VAL 107 HB VAL 107 202.775 -24.212 2.419 869 1HG1 VAL 107 HG11 VAL 107 202.469 -26.969 3.475 870 2HG1 VAL 107 HG12 VAL 107 201.445 -26.484 2.122 871 3HG1 VAL 107 HG13 VAL 107 201.406 -25.570 3.630 872 1HG2 VAL 107 HG21 VAL 107 204.335 -26.185 3.934 873 2HG2 VAL 107 HG22 VAL 107 204.331 -24.424 4.028 874 3HG2 VAL 107 HG23 VAL 107 205.260 -25.240 2.769 875 H GLU 108 HN GLU 108 205.857 -26.428 0.357 876 HA GLU 108 HA GLU 108 205.284 -29.188 0.045 877 1HB GLU 108 HB2 GLU 108 207.639 -29.463 -0.370 878 2HB GLU 108 HB1 GLU 108 207.097 -27.990 -1.160 879 1HG GLU 108 HG2 GLU 108 208.037 -26.643 0.603 880 2HG GLU 108 HG1 GLU 108 208.487 -28.089 1.506 881 H GLU 109 HN GLU 109 206.638 -27.259 2.570 882 HA GLU 109 HA GLU 109 207.358 -29.481 4.243 883 1HB GLU 109 HB2 GLU 109 208.366 -27.079 4.192 884 2HB GLU 109 HB1 GLU 109 207.021 -26.676 5.250 885 1HG GLU 109 HG2 GLU 109 208.460 -27.217 6.876 886 2HG GLU 109 HG1 GLU 109 207.973 -28.870 6.494 887 H VAL 110 HN VAL 110 205.395 -30.640 4.413 888 HA VAL 110 HA VAL 110 203.891 -30.142 6.689 889 HB VAL 110 HB VAL 110 202.902 -28.284 5.413 890 1HG1 VAL 110 HG11 VAL 110 201.494 -28.715 3.480 891 2HG1 VAL 110 HG12 VAL 110 201.896 -30.432 3.552 892 3HG1 VAL 110 HG13 VAL 110 203.148 -29.248 3.172 893 1HG2 VAL 110 HG21 VAL 110 200.739 -30.326 5.620 894 2HG2 VAL 110 HG22 VAL 110 200.750 -28.641 6.143 895 3HG2 VAL 110 HG23 VAL 110 201.630 -29.858 7.069 896 H GLU 111 HN GLU 111 204.052 -31.592 3.560 897 HA GLU 111 HA GLU 111 202.392 -33.842 4.403 898 1HB GLU 111 HB2 GLU 111 202.029 -32.794 2.171 899 2HB GLU 111 HB1 GLU 111 203.641 -33.317 1.702 900 1HG GLU 111 HG2 GLU 111 202.966 -35.395 1.279 901 2HG GLU 111 HG1 GLU 111 202.002 -35.481 2.753 902 H GLU 112 HN GLU 112 205.055 -33.394 5.536 903 HA GLU 112 HA GLU 112 206.966 -35.115 4.402 904 1HB GLU 112 HB2 GLU 112 206.683 -34.468 7.338 905 2HB GLU 112 HB1 GLU 112 208.148 -34.935 6.485 906 1HG GLU 112 HG2 GLU 112 206.623 -32.359 6.206 907 2HG GLU 112 HG1 GLU 112 208.221 -32.587 6.914 908 H GLU 113 HN GLU 113 204.185 -35.708 6.392 909 HA GLU 113 HA GLU 113 205.018 -38.455 6.938 910 1HB GLU 113 HB2 GLU 113 202.810 -38.512 8.206 911 2HB GLU 113 HB1 GLU 113 204.054 -37.440 8.837 912 1HG GLU 113 HG2 GLU 113 202.960 -35.523 7.954 913 2HG GLU 113 HG1 GLU 113 201.826 -36.517 7.043 Start of MODEL 6 1 1H MET 1 HT1 MET 1 186.689 -1.201 -5.902 2 2H MET 1 HT2 MET 1 185.042 -0.721 -5.962 3 3H MET 1 HT3 MET 1 186.285 0.454 -6.088 4 HA MET 1 HA MET 1 185.672 0.235 -8.226 5 1HB MET 1 HB2 MET 1 188.093 -0.961 -7.370 6 2HB MET 1 HB1 MET 1 187.479 -1.953 -8.687 7 1HG MET 1 HG2 MET 1 188.061 -0.448 -10.203 8 2HG MET 1 HG1 MET 1 187.269 0.853 -9.315 9 1HE MET 1 HE1 MET 1 189.619 2.152 -6.898 10 2HE MET 1 HE2 MET 1 188.035 2.124 -7.672 11 3HE MET 1 HE3 MET 1 189.356 3.039 -8.399 12 H THR 2 HN THR 2 185.540 -2.865 -6.570 13 HA THR 2 HA THR 2 183.977 -4.022 -8.757 14 HB THR 2 HB THR 2 184.762 -5.454 -6.230 15 HG1 THR 2 HG1 THR 2 186.649 -4.525 -7.118 16 1HG2 THR 2 HG21 THR 2 184.886 -6.763 -8.858 17 2HG2 THR 2 HG22 THR 2 183.275 -6.341 -8.278 18 3HG2 THR 2 HG23 THR 2 184.321 -7.373 -7.303 19 H MET 3 HN MET 3 182.052 -2.840 -8.472 20 HA MET 3 HA MET 3 180.657 -2.465 -6.102 21 1HB MET 3 HB2 MET 3 180.062 -1.340 -8.189 22 2HB MET 3 HB1 MET 3 179.541 -2.870 -8.883 23 1HG MET 3 HG2 MET 3 177.761 -3.034 -7.240 24 2HG MET 3 HG1 MET 3 178.300 -1.531 -6.491 25 1HE MET 3 HE1 MET 3 176.396 1.070 -8.127 26 2HE MET 3 HE2 MET 3 178.156 0.983 -8.085 27 3HE MET 3 HE3 MET 3 177.212 0.384 -6.720 28 H ASN 4 HN ASN 4 180.729 -4.302 -4.807 29 HA ASN 4 HA ASN 4 179.308 -6.676 -5.791 30 1HB ASN 4 HB2 ASN 4 181.299 -6.227 -3.584 31 2HB ASN 4 HB1 ASN 4 180.257 -7.646 -3.571 32 1HD2 ASN 4 HD21 ASN 4 181.757 -9.182 -3.949 33 2HD2 ASN 4 HD22 ASN 4 182.694 -9.291 -5.397 34 H ILE 5 HN ILE 5 177.275 -6.988 -5.194 35 HA ILE 5 HA ILE 5 176.343 -5.785 -2.669 36 HB ILE 5 HB ILE 5 174.638 -6.132 -5.131 37 1HG1 ILE 5 HG12 ILE 5 175.938 -3.602 -4.092 38 2HG1 ILE 5 HG11 ILE 5 176.456 -4.490 -5.522 39 1HG2 ILE 5 HG21 ILE 5 173.613 -6.069 -2.800 40 2HG2 ILE 5 HG22 ILE 5 172.983 -4.925 -3.985 41 3HG2 ILE 5 HG23 ILE 5 174.117 -4.381 -2.749 42 1HD1 ILE 5 HD11 ILE 5 174.082 -4.113 -6.386 43 2HD1 ILE 5 HD12 ILE 5 175.180 -2.732 -6.350 44 3HD1 ILE 5 HD13 ILE 5 173.948 -2.913 -5.100 45 H THR 6 HN THR 6 175.195 -7.072 -1.320 46 HA THR 6 HA THR 6 174.083 -9.580 -2.288 47 HB THR 6 HB THR 6 175.734 -9.901 0.143 48 HG1 THR 6 HG1 THR 6 177.256 -8.821 -1.000 49 1HG2 THR 6 HG21 THR 6 175.749 -11.626 -2.296 50 2HG2 THR 6 HG22 THR 6 174.453 -11.718 -1.105 51 3HG2 THR 6 HG23 THR 6 176.116 -12.055 -0.625 52 H SER 7 HN SER 7 172.066 -8.725 -1.705 53 HA SER 7 HA SER 7 171.597 -7.875 1.022 54 1HB SER 7 HB2 SER 7 169.830 -8.139 -1.407 55 2HB SER 7 HB1 SER 7 169.183 -7.741 0.184 56 HG SER 7 HG SER 7 171.298 -6.283 -1.002 57 H LYS 8 HN LYS 8 170.150 -8.905 2.481 58 HA LYS 8 HA LYS 8 170.086 -11.813 2.128 59 1HB LYS 8 HB2 LYS 8 171.191 -11.098 4.142 60 2HB LYS 8 HB1 LYS 8 169.831 -10.078 4.584 61 1HG LYS 8 HG2 LYS 8 169.048 -11.756 5.796 62 2HG LYS 8 HG1 LYS 8 168.764 -12.646 4.299 63 1HD LYS 8 HD2 LYS 8 171.475 -12.650 5.566 64 2HD LYS 8 HD1 LYS 8 170.207 -13.719 6.171 65 1HE LYS 8 HE2 LYS 8 170.366 -15.088 4.408 66 2HE LYS 8 HE1 LYS 8 170.461 -13.750 3.264 67 1HZ LYS 8 HZ1 LYS 8 172.473 -15.293 3.524 68 2HZ LYS 8 HZ2 LYS 8 172.776 -14.442 4.955 69 3HZ LYS 8 HZ3 LYS 8 172.747 -13.624 3.474 70 H GLN 9 HN GLN 9 168.266 -12.518 1.225 71 HA GLN 9 HA GLN 9 166.078 -13.025 0.953 72 1HB GLN 9 HB2 GLN 9 165.276 -13.473 2.980 73 2HB GLN 9 HB1 GLN 9 166.324 -12.278 3.714 74 1HG GLN 9 HG2 GLN 9 164.355 -10.685 2.753 75 2HG GLN 9 HG1 GLN 9 163.459 -12.162 3.085 76 1HE2 GLN 9 HE21 GLN 9 166.057 -10.289 4.620 77 2HE2 GLN 9 HE22 GLN 9 165.363 -10.304 6.203 78 H MET 10 HN MET 10 166.242 -9.684 2.237 79 HA MET 10 HA MET 10 164.163 -8.842 0.422 80 1HB MET 10 HB2 MET 10 164.293 -7.904 2.678 81 2HB MET 10 HB1 MET 10 165.886 -7.249 2.326 82 1HG MET 10 HG2 MET 10 164.520 -6.126 0.331 83 2HG MET 10 HG1 MET 10 163.218 -6.296 1.507 84 1HE MET 10 HE1 MET 10 166.267 -3.081 1.295 85 2HE MET 10 HE2 MET 10 164.848 -3.394 0.297 86 3HE MET 10 HE3 MET 10 166.201 -4.524 0.282 87 H GLU 11 HN GLU 11 164.736 -8.760 -1.666 88 HA GLU 11 HA GLU 11 167.339 -8.067 -2.576 89 1HB GLU 11 HB2 GLU 11 166.382 -8.156 -4.808 90 2HB GLU 11 HB1 GLU 11 165.816 -9.521 -3.855 91 1HG GLU 11 HG2 GLU 11 163.702 -8.949 -4.165 92 2HG GLU 11 HG1 GLU 11 164.005 -7.308 -3.597 93 H ILE 12 HN ILE 12 167.367 -6.306 -4.464 94 HA ILE 12 HA ILE 12 166.525 -3.806 -3.173 95 HB ILE 12 HB ILE 12 168.510 -4.027 -5.423 96 1HG1 ILE 12 HG12 ILE 12 170.056 -3.656 -3.214 97 2HG1 ILE 12 HG11 ILE 12 168.817 -4.732 -2.573 98 1HG2 ILE 12 HG21 ILE 12 169.152 -1.863 -4.857 99 2HG2 ILE 12 HG22 ILE 12 168.424 -1.964 -3.253 100 3HG2 ILE 12 HG23 ILE 12 167.398 -1.829 -4.681 101 1HD1 ILE 12 HD11 ILE 12 169.345 -6.127 -4.714 102 2HD1 ILE 12 HD12 ILE 12 170.388 -6.226 -3.295 103 3HD1 ILE 12 HD13 ILE 12 170.863 -5.230 -4.671 104 H THR 13 HN THR 13 165.462 -2.191 -4.311 105 HA THR 13 HA THR 13 164.044 -3.112 -6.707 106 HB THR 13 HB THR 13 162.329 -1.602 -6.170 107 HG1 THR 13 HG1 THR 13 162.634 0.250 -5.173 108 1HG2 THR 13 HG21 THR 13 162.814 -1.742 -3.358 109 2HG2 THR 13 HG22 THR 13 163.226 -3.277 -4.120 110 3HG2 THR 13 HG23 THR 13 161.615 -2.591 -4.332 111 HA PRO 14 HA PRO 14 166.039 -0.483 -9.622 112 1HB PRO 14 HB2 PRO 14 163.849 0.950 -10.626 113 2HB PRO 14 HB1 PRO 14 164.449 -0.595 -11.233 114 1HG PRO 14 HG2 PRO 14 162.188 -0.038 -9.373 115 2HG PRO 14 HG1 PRO 14 162.334 -1.282 -10.628 116 1HD PRO 14 HD2 PRO 14 162.594 -1.893 -8.040 117 2HD PRO 14 HD1 PRO 14 163.605 -2.677 -9.271 118 H ALA 15 HN ALA 15 163.634 1.075 -7.546 119 HA ALA 15 HA ALA 15 164.724 3.703 -7.876 120 1HB ALA 15 HB1 ALA 15 162.337 2.792 -7.012 121 2HB ALA 15 HB2 ALA 15 162.946 4.413 -6.679 122 3HB ALA 15 HB3 ALA 15 163.118 3.141 -5.470 123 H ILE 16 HN ILE 16 164.621 1.476 -5.093 124 HA ILE 16 HA ILE 16 166.371 2.918 -3.461 125 HB ILE 16 HB ILE 16 165.995 -0.079 -3.479 126 1HG1 ILE 16 HG12 ILE 16 164.442 2.069 -2.019 127 2HG1 ILE 16 HG11 ILE 16 163.839 1.082 -3.346 128 1HG2 ILE 16 HG21 ILE 16 166.428 1.286 -0.933 129 2HG2 ILE 16 HG22 ILE 16 167.794 1.402 -2.041 130 3HG2 ILE 16 HG23 ILE 16 167.167 -0.180 -1.575 131 1HD1 ILE 16 HD11 ILE 16 164.735 -0.010 -0.692 132 2HD1 ILE 16 HD12 ILE 16 163.946 -0.893 -1.998 133 3HD1 ILE 16 HD13 ILE 16 163.063 0.353 -1.116 134 H ARG 17 HN ARG 17 166.995 0.327 -5.797 135 HA ARG 17 HA ARG 17 169.729 0.004 -5.270 136 1HB ARG 17 HB2 ARG 17 169.837 -1.281 -7.234 137 2HB ARG 17 HB1 ARG 17 168.194 -1.498 -6.652 138 1HG ARG 17 HG2 ARG 17 167.797 -1.156 -8.865 139 2HG ARG 17 HG1 ARG 17 167.699 0.502 -8.280 140 1HD ARG 17 HD2 ARG 17 169.500 1.130 -9.449 141 2HD ARG 17 HD1 ARG 17 170.410 -0.300 -8.962 142 HE ARG 17 HE ARG 17 168.372 -0.577 -11.043 143 1HH1 ARG 17 HH11 ARG 17 171.757 -0.488 -10.168 144 2HH1 ARG 17 HH12 ARG 17 172.280 -1.227 -11.642 145 1HH2 ARG 17 HH21 ARG 17 169.069 -1.542 -12.978 146 2HH2 ARG 17 HH22 ARG 17 170.757 -1.824 -13.235 147 H GLN 18 HN GLN 18 168.022 2.200 -7.458 148 HA GLN 18 HA GLN 18 170.249 3.214 -8.822 149 1HB GLN 18 HB2 GLN 18 167.808 3.612 -9.365 150 2HB GLN 18 HB1 GLN 18 167.792 4.802 -8.071 151 1HG GLN 18 HG2 GLN 18 168.154 6.117 -9.912 152 2HG GLN 18 HG1 GLN 18 169.802 5.832 -9.352 153 1HE2 GLN 18 HE21 GLN 18 168.534 6.398 -12.039 154 2HE2 GLN 18 HE22 GLN 18 169.192 5.187 -13.079 155 H HIS 19 HN HIS 19 168.763 4.136 -5.765 156 HA HIS 19 HA HIS 19 170.265 6.445 -5.235 157 1HB HIS 19 HB2 HIS 19 168.200 5.547 -4.018 158 2HB HIS 19 HB1 HIS 19 169.310 4.505 -3.135 159 HD1 HIS 19 HD1 HIS 19 168.723 8.208 -3.744 160 HD2 HIS 19 HD2 HIS 19 170.371 5.647 -0.916 161 HE1 HIS 19 HE1 HIS 19 169.300 9.659 -1.772 162 HE2 HIS 19 HE2 HIS 19 170.179 8.068 -0.032 163 H VAL 20 HN VAL 20 170.772 3.110 -4.089 164 HA VAL 20 HA VAL 20 173.146 3.509 -2.713 165 HB VAL 20 HB VAL 20 172.492 1.014 -4.278 166 1HG1 VAL 20 HG11 VAL 20 174.684 0.898 -3.385 167 2HG1 VAL 20 HG12 VAL 20 173.655 -0.051 -2.311 168 3HG1 VAL 20 HG13 VAL 20 174.164 1.571 -1.840 169 1HG2 VAL 20 HG21 VAL 20 170.535 1.223 -3.106 170 2HG2 VAL 20 HG22 VAL 20 171.287 2.137 -1.798 171 3HG2 VAL 20 HG23 VAL 20 171.524 0.393 -1.906 172 H ALA 21 HN ALA 21 172.608 2.959 -6.151 173 HA ALA 21 HA ALA 21 175.254 2.488 -6.933 174 1HB ALA 21 HB1 ALA 21 173.701 4.036 -8.860 175 2HB ALA 21 HB2 ALA 21 172.835 2.641 -8.216 176 3HB ALA 21 HB3 ALA 21 174.401 2.423 -9.000 177 H ASP 22 HN ASP 22 173.434 5.526 -6.676 178 HA ASP 22 HA ASP 22 175.580 7.181 -7.538 179 1HB ASP 22 HB2 ASP 22 173.127 7.789 -7.568 180 2HB ASP 22 HB1 ASP 22 173.234 8.010 -5.824 181 H ARG 23 HN ARG 23 174.459 6.053 -4.403 182 HA ARG 23 HA ARG 23 176.008 7.748 -2.785 183 1HB ARG 23 HB2 ARG 23 174.093 6.225 -2.080 184 2HB ARG 23 HB1 ARG 23 175.259 4.910 -2.093 185 1HG ARG 23 HG2 ARG 23 174.847 5.898 0.149 186 2HG ARG 23 HG1 ARG 23 176.536 5.929 -0.354 187 1HD ARG 23 HD2 ARG 23 175.644 8.035 0.731 188 2HD ARG 23 HD1 ARG 23 176.461 8.235 -0.818 189 HE ARG 23 HE ARG 23 173.529 8.071 -0.693 190 1HH1 ARG 23 HH11 ARG 23 176.430 9.851 -1.509 191 2HH1 ARG 23 HH12 ARG 23 175.573 11.080 -2.373 192 1HH2 ARG 23 HH21 ARG 23 172.415 9.696 -1.826 193 2HH2 ARG 23 HH22 ARG 23 173.300 10.995 -2.552 194 H LEU 24 HN LEU 24 176.669 4.481 -4.022 195 HA LEU 24 HA LEU 24 179.163 4.122 -2.815 196 1HB LEU 24 HB2 LEU 24 177.601 2.542 -4.274 197 2HB LEU 24 HB1 LEU 24 178.702 3.034 -5.547 198 HG LEU 24 HG LEU 24 179.745 1.128 -4.853 199 1HD1 LEU 24 HD11 LEU 24 181.259 3.092 -4.475 200 2HD1 LEU 24 HD12 LEU 24 181.673 1.640 -3.565 201 3HD1 LEU 24 HD13 LEU 24 180.860 2.982 -2.762 202 1HD2 LEU 24 HD21 LEU 24 178.916 1.701 -2.014 203 2HD2 LEU 24 HD22 LEU 24 179.710 0.240 -2.603 204 3HD2 LEU 24 HD23 LEU 24 178.071 0.629 -3.131 205 H ALA 25 HN ALA 25 178.419 5.276 -6.103 206 HA ALA 25 HA ALA 25 181.029 5.764 -6.929 207 1HB ALA 25 HB1 ALA 25 180.100 6.635 -8.790 208 2HB ALA 25 HB2 ALA 25 178.993 7.669 -7.884 209 3HB ALA 25 HB3 ALA 25 178.618 5.961 -8.108 210 H LYS 26 HN LYS 26 178.828 7.797 -5.068 211 HA LYS 26 HA LYS 26 180.225 10.202 -5.176 212 1HB LYS 26 HB2 LYS 26 178.078 9.084 -3.626 213 2HB LYS 26 HB1 LYS 26 179.151 9.993 -2.573 214 1HG LYS 26 HG2 LYS 26 177.809 11.022 -5.065 215 2HG LYS 26 HG1 LYS 26 177.366 11.402 -3.399 216 1HD LYS 26 HD2 LYS 26 180.180 11.902 -4.127 217 2HD LYS 26 HD1 LYS 26 178.987 12.940 -4.910 218 1HE LYS 26 HE2 LYS 26 179.017 14.179 -3.060 219 2HE LYS 26 HE1 LYS 26 178.176 12.853 -2.260 220 1HZ LYS 26 HZ1 LYS 26 180.041 13.311 -0.944 221 2HZ LYS 26 HZ2 LYS 26 181.078 13.432 -2.275 222 3HZ LYS 26 HZ3 LYS 26 180.467 11.924 -1.814 223 H LEU 27 HN LEU 27 180.388 7.740 -2.592 224 HA LEU 27 HA LEU 27 182.456 8.893 -1.135 225 1HB LEU 27 HB2 LEU 27 180.963 6.536 -1.028 226 2HB LEU 27 HB1 LEU 27 182.629 6.000 -1.132 227 HG LEU 27 HG LEU 27 181.707 8.021 0.903 228 1HD1 LEU 27 HD11 LEU 27 180.406 6.067 1.329 229 2HD1 LEU 27 HD12 LEU 27 181.725 6.101 2.499 230 3HD1 LEU 27 HD13 LEU 27 181.807 5.018 1.108 231 1HD2 LEU 27 HD21 LEU 27 184.212 7.421 0.129 232 2HD2 LEU 27 HD22 LEU 27 183.974 6.192 1.371 233 3HD2 LEU 27 HD23 LEU 27 183.787 7.898 1.772 234 H GLU 28 HN GLU 28 182.564 7.242 -4.160 235 HA GLU 28 HA GLU 28 185.214 6.315 -4.130 236 1HB GLU 28 HB2 GLU 28 183.101 6.326 -5.939 237 2HB GLU 28 HB1 GLU 28 184.357 7.257 -6.745 238 1HG GLU 28 HG2 GLU 28 185.769 5.130 -5.806 239 2HG GLU 28 HG1 GLU 28 184.206 4.396 -6.165 240 H LYS 29 HN LYS 29 183.971 9.502 -4.268 241 HA LYS 29 HA LYS 29 186.276 10.633 -5.589 242 1HB LYS 29 HB2 LYS 29 183.953 11.962 -4.188 243 2HB LYS 29 HB1 LYS 29 185.187 12.802 -5.117 244 1HG LYS 29 HG2 LYS 29 183.214 10.790 -6.178 245 2HG LYS 29 HG1 LYS 29 183.181 12.536 -6.434 246 1HD LYS 29 HD2 LYS 29 185.366 10.667 -7.353 247 2HD LYS 29 HD1 LYS 29 184.096 11.344 -8.375 248 1HE LYS 29 HE2 LYS 29 186.356 12.775 -7.006 249 2HE LYS 29 HE1 LYS 29 185.996 12.695 -8.730 250 1HZ LYS 29 HZ1 LYS 29 184.815 14.376 -6.662 251 2HZ LYS 29 HZ2 LYS 29 183.772 13.816 -7.868 252 3HZ LYS 29 HZ3 LYS 29 185.137 14.723 -8.287 253 H TRP 30 HN TRP 30 185.324 9.908 -2.353 254 HA TRP 30 HA TRP 30 186.772 11.794 -0.899 255 1HB TRP 30 HB2 TRP 30 185.673 9.106 -0.399 256 2HB TRP 30 HB1 TRP 30 187.032 9.539 0.632 257 HD1 TRP 30 HD1 TRP 30 183.366 10.242 0.078 258 HE1 TRP 30 HE1 TRP 30 182.510 11.819 1.924 259 HE3 TRP 30 HE3 TRP 30 187.845 11.547 2.175 260 HZ2 TRP 30 HZ2 TRP 30 183.589 13.405 3.993 261 HZ3 TRP 30 HZ3 TRP 30 187.844 13.101 4.083 262 HH2 TRP 30 HH2 TRP 30 185.760 14.010 4.972 263 H GLN 31 HN GLN 31 188.656 10.579 0.644 264 HA GLN 31 HA GLN 31 190.879 10.390 -1.202 265 1HB GLN 31 HB2 GLN 31 190.526 10.850 1.693 266 2HB GLN 31 HB1 GLN 31 191.992 9.997 1.237 267 1HG GLN 31 HG2 GLN 31 192.279 12.444 1.424 268 2HG GLN 31 HG1 GLN 31 192.689 11.800 -0.165 269 1HE2 GLN 31 HE21 GLN 31 190.024 13.277 1.633 270 2HE2 GLN 31 HE22 GLN 31 189.377 14.158 0.294 271 H THR 32 HN THR 32 189.188 8.250 -1.533 272 HA THR 32 HA THR 32 190.945 6.044 -0.830 273 HB THR 32 HB THR 32 188.317 5.041 -0.462 274 HG1 THR 32 HG1 THR 32 187.439 6.347 1.016 275 1HG2 THR 32 HG21 THR 32 190.486 4.307 0.616 276 2HG2 THR 32 HG22 THR 32 189.054 4.343 1.644 277 3HG2 THR 32 HG23 THR 32 190.247 5.637 1.750 278 H HIS 33 HN HIS 33 190.781 4.262 -2.234 279 HA HIS 33 HA HIS 33 189.465 4.903 -4.770 280 1HB HIS 33 HB2 HIS 33 191.420 2.656 -4.318 281 2HB HIS 33 HB1 HIS 33 191.008 3.457 -5.829 282 HD1 HIS 33 HD1 HIS 33 191.899 5.994 -6.045 283 HD2 HIS 33 HD2 HIS 33 193.583 3.694 -3.022 284 HE1 HIS 33 HE1 HIS 33 194.003 7.197 -5.378 285 HE2 HIS 33 HE2 HIS 33 194.942 5.848 -3.468 286 H LEU 34 HN LEU 34 189.554 2.477 -2.241 287 HA LEU 34 HA LEU 34 188.182 0.738 -1.735 288 1HB LEU 34 HB2 LEU 34 186.303 1.990 -3.737 289 2HB LEU 34 HB1 LEU 34 185.877 0.791 -2.533 290 HG LEU 34 HG LEU 34 185.108 2.852 -1.685 291 1HD1 LEU 34 HD11 LEU 34 186.705 1.337 -0.226 292 2HD1 LEU 34 HD12 LEU 34 186.065 2.862 0.386 293 3HD1 LEU 34 HD13 LEU 34 187.708 2.786 -0.249 294 1HD2 LEU 34 HD21 LEU 34 186.296 4.880 -1.684 295 2HD2 LEU 34 HD22 LEU 34 186.564 4.183 -3.281 296 3HD2 LEU 34 HD23 LEU 34 187.822 4.078 -2.050 297 H ILE 35 HN ILE 35 188.428 -1.298 -2.317 298 HA ILE 35 HA ILE 35 188.678 -1.905 -5.191 299 HB ILE 35 HB ILE 35 189.822 -4.068 -4.062 300 1HG1 ILE 35 HG12 ILE 35 190.402 -1.754 -2.199 301 2HG1 ILE 35 HG11 ILE 35 189.639 -3.282 -1.776 302 1HG2 ILE 35 HG21 ILE 35 190.608 -2.102 -5.703 303 2HG2 ILE 35 HG22 ILE 35 191.702 -3.339 -5.081 304 3HG2 ILE 35 HG23 ILE 35 191.634 -1.753 -4.314 305 1HD1 ILE 35 HD11 ILE 35 192.186 -3.780 -2.974 306 2HD1 ILE 35 HD12 ILE 35 191.606 -4.193 -1.360 307 3HD1 ILE 35 HD13 ILE 35 192.352 -2.622 -1.654 308 H ASN 36 HN ASN 36 187.717 -3.478 -2.126 309 HA ASN 36 HA ASN 36 185.790 -5.075 -3.677 310 1HB ASN 36 HB2 ASN 36 187.736 -6.046 -2.111 311 2HB ASN 36 HB1 ASN 36 186.478 -5.853 -0.894 312 1HD2 ASN 36 HD21 ASN 36 187.744 -8.242 -2.131 313 2HD2 ASN 36 HD22 ASN 36 186.423 -9.196 -2.706 314 HA PRO 37 HA PRO 37 183.251 -2.252 -0.979 315 1HB PRO 37 HB2 PRO 37 181.649 -1.257 -2.889 316 2HB PRO 37 HB1 PRO 37 183.265 -0.597 -2.600 317 1HG PRO 37 HG2 PRO 37 182.364 -2.541 -4.696 318 2HG PRO 37 HG1 PRO 37 183.413 -1.122 -4.869 319 1HD PRO 37 HD2 PRO 37 184.374 -3.664 -4.660 320 2HD PRO 37 HD1 PRO 37 185.263 -2.241 -4.082 321 H HIS 38 HN HIS 38 182.195 -3.917 0.064 322 HA HIS 38 HA HIS 38 180.199 -5.460 -1.412 323 1HB HIS 38 HB2 HIS 38 181.939 -6.063 0.720 324 2HB HIS 38 HB1 HIS 38 180.314 -6.091 1.400 325 HD1 HIS 38 HD1 HIS 38 182.300 -8.574 0.762 326 HD2 HIS 38 HD2 HIS 38 178.894 -7.443 -1.332 327 HE1 HIS 38 HE1 HIS 38 181.523 -10.648 -0.427 328 HE2 HIS 38 HE2 HIS 38 179.412 -9.960 -1.621 329 H ILE 39 HN ILE 39 178.108 -4.963 -1.365 330 HA ILE 39 HA ILE 39 177.145 -3.171 0.770 331 HB ILE 39 HB ILE 39 176.104 -3.365 -2.061 332 1HG1 ILE 39 HG12 ILE 39 178.354 -2.306 -1.861 333 2HG1 ILE 39 HG11 ILE 39 177.109 -1.202 -2.436 334 1HG2 ILE 39 HG21 ILE 39 175.218 -1.872 0.361 335 2HG2 ILE 39 HG22 ILE 39 174.260 -2.682 -0.878 336 3HG2 ILE 39 HG23 ILE 39 175.017 -1.127 -1.225 337 1HD1 ILE 39 HD11 ILE 39 177.550 -1.234 0.472 338 2HD1 ILE 39 HD12 ILE 39 177.261 0.118 -0.623 339 3HD1 ILE 39 HD13 ILE 39 178.869 -0.597 -0.509 340 H ILE 40 HN ILE 40 176.018 -4.351 2.179 341 HA ILE 40 HA ILE 40 174.213 -6.437 1.148 342 HB ILE 40 HB ILE 40 175.395 -6.138 3.913 343 1HG1 ILE 40 HG12 ILE 40 176.180 -8.574 2.957 344 2HG1 ILE 40 HG11 ILE 40 176.188 -7.606 1.486 345 1HG2 ILE 40 HG21 ILE 40 174.413 -8.512 4.129 346 2HG2 ILE 40 HG22 ILE 40 173.374 -8.039 2.786 347 3HG2 ILE 40 HG23 ILE 40 173.327 -7.132 4.296 348 1HD1 ILE 40 HD11 ILE 40 178.258 -7.810 3.201 349 2HD1 ILE 40 HD12 ILE 40 177.473 -6.349 3.800 350 3HD1 ILE 40 HD13 ILE 40 177.992 -6.444 2.118 351 H LEU 41 HN LEU 41 172.259 -5.527 0.863 352 HA LEU 41 HA LEU 41 171.204 -3.807 3.007 353 1HB LEU 41 HB2 LEU 41 171.269 -2.593 0.986 354 2HB LEU 41 HB1 LEU 41 170.645 -3.941 0.062 355 HG LEU 41 HG LEU 41 168.650 -3.333 1.950 356 1HD1 LEU 41 HD11 LEU 41 168.357 -0.871 0.968 357 2HD1 LEU 41 HD12 LEU 41 170.119 -0.944 1.017 358 3HD1 LEU 41 HD13 LEU 41 169.186 -1.202 2.490 359 1HD2 LEU 41 HD21 LEU 41 168.090 -4.167 -0.179 360 2HD2 LEU 41 HD22 LEU 41 168.965 -2.877 -1.004 361 3HD2 LEU 41 HD23 LEU 41 167.467 -2.517 -0.145 362 H SER 42 HN SER 42 170.215 -5.187 4.372 363 HA SER 42 HA SER 42 168.224 -7.047 3.254 364 1HB SER 42 HB2 SER 42 169.338 -7.283 6.032 365 2HB SER 42 HB1 SER 42 168.637 -8.534 5.005 366 HG SER 42 HG SER 42 171.167 -7.285 4.755 367 H LYS 43 HN LYS 43 166.407 -7.530 4.855 368 HA LYS 43 HA LYS 43 165.455 -4.987 5.995 369 1HB LYS 43 HB2 LYS 43 164.247 -6.548 4.092 370 2HB LYS 43 HB1 LYS 43 163.471 -7.112 5.564 371 1HG LYS 43 HG2 LYS 43 163.551 -4.266 5.612 372 2HG LYS 43 HG1 LYS 43 162.907 -4.794 4.056 373 1HD LYS 43 HD2 LYS 43 161.343 -6.296 5.321 374 2HD LYS 43 HD1 LYS 43 161.894 -5.512 6.803 375 1HE LYS 43 HE2 LYS 43 159.878 -4.434 6.136 376 2HE LYS 43 HE1 LYS 43 161.205 -3.326 5.796 377 1HZ LYS 43 HZ1 LYS 43 160.278 -3.184 3.786 378 2HZ LYS 43 HZ2 LYS 43 159.365 -4.595 3.982 379 3HZ LYS 43 HZ3 LYS 43 160.978 -4.695 3.484 380 H GLU 44 HN GLU 44 165.822 -4.985 8.132 381 HA GLU 44 HA GLU 44 165.410 -7.481 9.620 382 1HB GLU 44 HB2 GLU 44 167.297 -5.295 9.845 383 2HB GLU 44 HB1 GLU 44 166.484 -5.590 11.372 384 1HG GLU 44 HG2 GLU 44 168.610 -6.834 11.087 385 2HG GLU 44 HG1 GLU 44 167.211 -7.853 11.418 386 HA PRO 45 HA PRO 45 161.596 -6.588 11.586 387 1HB PRO 45 HB2 PRO 45 162.993 -6.596 14.176 388 2HB PRO 45 HB1 PRO 45 161.691 -7.631 13.601 389 1HG PRO 45 HG2 PRO 45 164.483 -8.214 13.714 390 2HG PRO 45 HG1 PRO 45 163.182 -9.248 13.106 391 1HD PRO 45 HD2 PRO 45 165.211 -8.117 11.574 392 2HD PRO 45 HD1 PRO 45 163.685 -8.766 10.947 393 H GLN 46 HN GLN 46 164.384 -4.944 13.083 394 HA GLN 46 HA GLN 46 162.666 -2.643 13.632 395 1HB GLN 46 HB2 GLN 46 164.250 -3.887 15.320 396 2HB GLN 46 HB1 GLN 46 165.472 -2.834 14.618 397 1HG GLN 46 HG2 GLN 46 164.835 -1.253 16.024 398 2HG GLN 46 HG1 GLN 46 163.297 -1.175 15.167 399 1HE2 GLN 46 HE21 GLN 46 162.183 -3.587 15.866 400 2HE2 GLN 46 HE22 GLN 46 161.863 -3.603 17.565 401 H GLY 47 HN GLY 47 163.391 -2.911 10.926 402 1HA GLY 47 HA2 GLY 47 163.807 -0.875 9.629 403 2HA GLY 47 HA1 GLY 47 165.188 -0.579 10.666 404 H PHE 48 HN PHE 48 165.776 -0.337 8.198 405 HA PHE 48 HA PHE 48 166.479 -2.741 6.812 406 1HB PHE 48 HB2 PHE 48 166.672 0.165 6.357 407 2HB PHE 48 HB1 PHE 48 167.962 -0.778 5.623 408 HD1 PHE 48 HD1 PHE 48 164.659 -2.279 6.006 409 HD2 PHE 48 HD2 PHE 48 167.228 -0.084 3.422 410 HE1 PHE 48 HE1 PHE 48 163.181 -2.790 4.106 411 HE2 PHE 48 HE2 PHE 48 165.757 -0.588 1.521 412 HZ PHE 48 HZ PHE 48 163.728 -1.942 1.859 413 H VAL 49 HN VAL 49 168.572 -3.500 6.359 414 HA VAL 49 HA VAL 49 170.586 -2.797 8.392 415 HB VAL 49 HB VAL 49 170.655 -5.339 6.800 416 1HG1 VAL 49 HG11 VAL 49 171.500 -5.040 9.639 417 2HG1 VAL 49 HG12 VAL 49 172.517 -4.366 8.366 418 3HG1 VAL 49 HG13 VAL 49 172.141 -6.090 8.377 419 1HG2 VAL 49 HG21 VAL 49 168.687 -5.924 7.679 420 2HG2 VAL 49 HG22 VAL 49 168.706 -4.589 8.831 421 3HG2 VAL 49 HG23 VAL 49 169.569 -6.083 9.199 422 H ALA 50 HN ALA 50 171.820 -1.273 7.422 423 HA ALA 50 HA ALA 50 172.751 -1.731 4.678 424 1HB ALA 50 HB1 ALA 50 173.297 0.556 4.580 425 2HB ALA 50 HB2 ALA 50 173.258 0.727 6.333 426 3HB ALA 50 HB3 ALA 50 171.758 0.486 5.438 427 H ASP 51 HN ASP 51 174.278 -3.380 5.121 428 HA ASP 51 HA ASP 51 176.575 -2.599 6.777 429 1HB ASP 51 HB2 ASP 51 176.019 -5.347 5.657 430 2HB ASP 51 HB1 ASP 51 177.131 -4.913 6.952 431 H ALA 52 HN ALA 52 177.565 -1.232 5.261 432 HA ALA 52 HA ALA 52 178.436 -2.474 2.751 433 1HB ALA 52 HB1 ALA 52 178.684 -0.359 1.841 434 2HB ALA 52 HB2 ALA 52 178.868 0.409 3.415 435 3HB ALA 52 HB3 ALA 52 177.284 -0.163 2.894 436 H THR 53 HN THR 53 180.183 -3.702 3.297 437 HA THR 53 HA THR 53 182.350 -2.474 4.827 438 HB THR 53 HB THR 53 181.627 -4.746 5.465 439 HG1 THR 53 HG1 THR 53 183.867 -4.059 5.638 440 1HG2 THR 53 HG21 THR 53 182.906 -6.180 3.324 441 2HG2 THR 53 HG22 THR 53 181.522 -5.257 2.740 442 3HG2 THR 53 HG23 THR 53 181.317 -6.417 4.052 443 H ILE 54 HN ILE 54 183.784 -1.358 3.705 444 HA ILE 54 HA ILE 54 184.447 -2.238 0.975 445 HB ILE 54 HB ILE 54 185.324 0.453 1.760 446 1HG1 ILE 54 HG12 ILE 54 182.392 -0.274 1.684 447 2HG1 ILE 54 HG11 ILE 54 183.262 0.573 2.956 448 1HG2 ILE 54 HG21 ILE 54 183.643 -0.412 -0.580 449 2HG2 ILE 54 HG22 ILE 54 185.394 -0.618 -0.529 450 3HG2 ILE 54 HG23 ILE 54 184.693 0.997 -0.454 451 1HD1 ILE 54 HD11 ILE 54 183.644 2.403 1.216 452 2HD1 ILE 54 HD12 ILE 54 182.023 2.223 1.889 453 3HD1 ILE 54 HD13 ILE 54 182.386 1.590 0.284 454 H ASN 55 HN ASN 55 186.557 -2.512 0.364 455 HA ASN 55 HA ASN 55 188.492 -2.659 2.554 456 1HB ASN 55 HB2 ASN 55 188.195 -4.695 1.239 457 2HB ASN 55 HB1 ASN 55 188.583 -3.822 -0.239 458 1HD2 ASN 55 HD21 ASN 55 189.786 -5.944 1.855 459 2HD2 ASN 55 HD22 ASN 55 191.473 -5.581 1.749 460 H THR 56 HN THR 56 189.435 -0.732 2.830 461 HA THR 56 HA THR 56 190.261 0.843 0.518 462 HB THR 56 HB THR 56 189.466 2.411 1.955 463 HG1 THR 56 HG1 THR 56 191.169 3.220 3.342 464 1HG2 THR 56 HG21 THR 56 188.581 1.091 3.681 465 2HG2 THR 56 HG22 THR 56 189.665 2.239 4.467 466 3HG2 THR 56 HG23 THR 56 190.179 0.572 4.213 467 HA PRO 57 HA PRO 57 194.527 -0.198 0.435 468 1HB PRO 57 HB2 PRO 57 195.730 2.298 0.594 469 2HB PRO 57 HB1 PRO 57 195.116 1.554 -0.885 470 1HG PRO 57 HG2 PRO 57 193.821 3.570 0.903 471 2HG PRO 57 HG1 PRO 57 193.823 3.477 -0.870 472 1HD PRO 57 HD2 PRO 57 191.692 2.711 0.540 473 2HD PRO 57 HD1 PRO 57 192.199 1.810 -0.905 474 H ASN 58 HN ASN 58 193.307 1.718 3.064 475 HA ASN 58 HA ASN 58 195.727 1.304 4.642 476 1HB ASN 58 HB2 ASN 58 194.046 3.424 4.540 477 2HB ASN 58 HB1 ASN 58 193.353 2.546 5.899 478 1HD2 ASN 58 HD21 ASN 58 194.687 5.101 5.904 479 2HD2 ASN 58 HD22 ASN 58 196.049 4.948 6.956 480 H GLY 59 HN GLY 59 192.411 0.203 4.405 481 1HA GLY 59 HA2 GLY 59 192.940 -2.185 5.818 482 2HA GLY 59 HA1 GLY 59 192.134 -1.047 6.887 483 H VAL 60 HN VAL 60 190.014 -1.289 6.986 484 HA VAL 60 HA VAL 60 188.503 -1.855 4.554 485 HB VAL 60 HB VAL 60 188.205 -3.540 7.046 486 1HG1 VAL 60 HG11 VAL 60 186.622 -4.841 5.661 487 2HG1 VAL 60 HG12 VAL 60 186.762 -3.619 4.398 488 3HG1 VAL 60 HG13 VAL 60 186.074 -3.193 5.965 489 1HG2 VAL 60 HG21 VAL 60 189.274 -4.262 4.319 490 2HG2 VAL 60 HG22 VAL 60 188.997 -5.390 5.646 491 3HG2 VAL 60 HG23 VAL 60 190.218 -4.126 5.803 492 H LEU 61 HN LEU 61 187.226 -0.131 4.504 493 HA LEU 61 HA LEU 61 186.240 1.153 6.869 494 1HB LEU 61 HB2 LEU 61 185.957 1.564 3.927 495 2HB LEU 61 HB1 LEU 61 184.815 2.352 4.997 496 HG LEU 61 HG LEU 61 187.806 2.739 4.919 497 1HD1 LEU 61 HD11 LEU 61 187.424 4.714 3.899 498 2HD1 LEU 61 HD12 LEU 61 185.898 4.981 4.740 499 3HD1 LEU 61 HD13 LEU 61 185.962 3.891 3.355 500 1HD2 LEU 61 HD21 LEU 61 186.667 4.620 6.641 501 2HD2 LEU 61 HD22 LEU 61 187.728 3.281 7.073 502 3HD2 LEU 61 HD23 LEU 61 185.979 3.071 7.123 503 H VAL 62 HN VAL 62 184.727 0.148 8.052 504 HA VAL 62 HA VAL 62 182.668 -1.442 6.735 505 HB VAL 62 HB VAL 62 183.237 -1.052 9.678 506 1HG1 VAL 62 HG11 VAL 62 180.927 -2.071 8.374 507 2HG1 VAL 62 HG12 VAL 62 181.285 -2.022 10.100 508 3HG1 VAL 62 HG13 VAL 62 181.763 -3.422 9.140 509 1HG2 VAL 62 HG21 VAL 62 184.879 -2.323 8.085 510 2HG2 VAL 62 HG22 VAL 62 183.673 -3.604 8.192 511 3HG2 VAL 62 HG23 VAL 62 184.455 -3.005 9.655 512 H ALA 63 HN ALA 63 181.035 -0.276 5.952 513 HA ALA 63 HA ALA 63 180.038 2.045 7.415 514 1HB ALA 63 HB1 ALA 63 178.568 1.500 5.021 515 2HB ALA 63 HB2 ALA 63 180.296 1.406 4.693 516 3HB ALA 63 HB3 ALA 63 179.612 2.867 5.402 517 H SER 64 HN SER 64 178.567 1.655 8.939 518 HA SER 64 HA SER 64 176.588 -0.472 8.476 519 1HB SER 64 HB2 SER 64 176.880 0.694 11.186 520 2HB SER 64 HB1 SER 64 176.626 -0.980 10.694 521 HG SER 64 HG SER 64 178.993 0.449 11.007 522 H GLY 65 HN GLY 65 174.499 0.050 8.242 523 1HA GLY 65 HA2 GLY 65 173.555 2.630 9.274 524 2HA GLY 65 HA1 GLY 65 173.333 2.278 7.569 525 H LYS 66 HN LYS 66 172.035 1.990 10.662 526 HA LYS 66 HA LYS 66 170.044 0.033 9.715 527 1HB LYS 66 HB2 LYS 66 170.504 0.674 12.615 528 2HB LYS 66 HB1 LYS 66 169.752 -0.750 11.910 529 1HG LYS 66 HG2 LYS 66 171.731 -1.685 12.430 530 2HG LYS 66 HG1 LYS 66 172.206 -1.001 10.874 531 1HD LYS 66 HD2 LYS 66 173.894 -0.421 12.457 532 2HD LYS 66 HD1 LYS 66 172.970 1.042 12.115 533 1HE LYS 66 HE2 LYS 66 172.950 1.207 14.367 534 2HE LYS 66 HE1 LYS 66 171.575 0.114 14.207 535 1HZ LYS 66 HZ1 LYS 66 173.204 -0.605 15.887 536 2HZ LYS 66 HZ2 LYS 66 174.372 -0.767 14.675 537 3HZ LYS 66 HZ3 LYS 66 172.995 -1.747 14.656 538 H HIS 67 HN HIS 67 168.022 0.755 9.438 539 HA HIS 67 HA HIS 67 166.749 2.605 11.142 540 1HB HIS 67 HB2 HIS 67 168.475 4.000 9.697 541 2HB HIS 67 HB1 HIS 67 167.192 3.907 8.494 542 HD1 HIS 67 HD1 HIS 67 167.826 5.189 11.994 543 HD2 HIS 67 HD2 HIS 67 165.102 5.639 8.888 544 HE1 HIS 67 HE1 HIS 67 166.342 7.101 12.674 545 HE2 HIS 67 HE2 HIS 67 164.661 7.315 10.809 546 H GLU 68 HN GLU 68 164.574 2.979 10.616 547 HA GLU 68 HA GLU 68 163.253 0.921 9.302 548 1HB GLU 68 HB2 GLU 68 162.531 3.436 10.574 549 2HB GLU 68 HB1 GLU 68 161.477 3.059 9.217 550 1HG GLU 68 HG2 GLU 68 162.043 1.271 11.572 551 2HG GLU 68 HG1 GLU 68 160.571 2.203 11.298 552 H ASP 69 HN ASP 69 163.939 4.215 8.144 553 HA ASP 69 HA ASP 69 162.774 3.727 5.573 554 1HB ASP 69 HB2 ASP 69 163.412 5.993 6.950 555 2HB ASP 69 HB1 ASP 69 164.734 5.914 5.790 556 H MET 70 HN MET 70 163.775 3.292 3.644 557 HA MET 70 HA MET 70 166.178 1.794 3.783 558 1HB MET 70 HB2 MET 70 165.860 1.295 1.508 559 2HB MET 70 HB1 MET 70 164.246 1.423 2.184 560 1HG MET 70 HG2 MET 70 165.556 3.713 0.756 561 2HG MET 70 HG1 MET 70 164.672 2.456 -0.096 562 1HE MET 70 HE1 MET 70 162.591 4.289 -1.080 563 2HE MET 70 HE2 MET 70 161.266 3.573 -0.163 564 3HE MET 70 HE3 MET 70 162.593 2.560 -0.732 565 H TYR 71 HN TYR 71 165.420 4.948 2.315 566 HA TYR 71 HA TYR 71 168.122 5.372 1.499 567 1HB TYR 71 HB2 TYR 71 165.730 7.202 1.620 568 2HB TYR 71 HB1 TYR 71 167.306 7.711 1.015 569 HD1 TYR 71 HD1 TYR 71 168.039 5.067 -0.307 570 HD2 TYR 71 HD2 TYR 71 164.492 7.412 -0.425 571 HE1 TYR 71 HE1 TYR 71 167.501 4.120 -2.499 572 HE2 TYR 71 HE2 TYR 71 163.949 6.466 -2.634 573 HH TYR 71 HH TYR 71 165.398 5.417 -4.594 574 H THR 72 HN THR 72 166.334 6.031 4.399 575 HA THR 72 HA THR 72 168.208 7.971 5.398 576 HB THR 72 HB THR 72 166.290 6.314 7.038 577 HG1 THR 72 HG1 THR 72 164.761 7.879 6.636 578 1HG2 THR 72 HG21 THR 72 168.064 8.469 7.664 579 2HG2 THR 72 HG22 THR 72 167.031 7.518 8.732 580 3HG2 THR 72 HG23 THR 72 166.392 8.956 7.936 581 H ALA 73 HN ALA 73 167.878 4.525 5.343 582 HA ALA 73 HA ALA 73 169.700 3.903 7.434 583 1HB ALA 73 HB1 ALA 73 168.345 2.417 5.254 584 2HB ALA 73 HB2 ALA 73 168.435 2.066 6.981 585 3HB ALA 73 HB3 ALA 73 169.804 1.696 5.932 586 H ILE 74 HN ILE 74 170.008 4.059 3.891 587 HA ILE 74 HA ILE 74 172.745 3.413 3.769 588 HB ILE 74 HB ILE 74 171.982 5.371 1.735 589 1HG1 ILE 74 HG12 ILE 74 169.724 4.409 2.208 590 2HG1 ILE 74 HG11 ILE 74 170.307 4.081 0.584 591 1HG2 ILE 74 HG21 ILE 74 172.787 2.477 1.530 592 2HG2 ILE 74 HG22 ILE 74 173.900 3.842 1.613 593 3HG2 ILE 74 HG23 ILE 74 172.810 3.674 0.236 594 1HD1 ILE 74 HD11 ILE 74 169.470 2.044 1.143 595 2HD1 ILE 74 HD12 ILE 74 169.879 2.217 2.851 596 3HD1 ILE 74 HD13 ILE 74 171.140 1.848 1.677 597 H ASN 75 HN ASN 75 171.048 6.452 4.234 598 HA ASN 75 HA ASN 75 173.190 8.221 3.963 599 1HB ASN 75 HB2 ASN 75 170.559 8.306 5.364 600 2HB ASN 75 HB1 ASN 75 171.742 9.555 5.742 601 1HD2 ASN 75 HD21 ASN 75 171.126 7.919 2.674 602 2HD2 ASN 75 HD22 ASN 75 170.682 9.342 1.802 603 H GLU 76 HN GLU 76 171.751 7.184 7.064 604 HA GLU 76 HA GLU 76 173.662 8.092 8.787 605 1HB GLU 76 HB2 GLU 76 171.478 6.384 8.964 606 2HB GLU 76 HB1 GLU 76 172.823 5.409 9.540 607 1HG GLU 76 HG2 GLU 76 173.233 7.784 10.830 608 2HG GLU 76 HG1 GLU 76 171.474 7.672 10.786 609 H LEU 77 HN LEU 77 173.825 5.300 6.705 610 HA LEU 77 HA LEU 77 176.107 4.093 7.874 611 1HB LEU 77 HB2 LEU 77 174.870 2.629 6.608 612 2HB LEU 77 HB1 LEU 77 174.568 3.801 5.343 613 HG LEU 77 HG LEU 77 177.323 2.706 5.730 614 1HD1 LEU 77 HD11 LEU 77 176.825 0.665 4.993 615 2HD1 LEU 77 HD12 LEU 77 175.811 1.304 3.700 616 3HD1 LEU 77 HD13 LEU 77 175.135 1.050 5.309 617 1HD2 LEU 77 HD21 LEU 77 176.042 4.466 3.910 618 2HD2 LEU 77 HD22 LEU 77 176.506 3.011 3.025 619 3HD2 LEU 77 HD23 LEU 77 177.721 3.926 3.919 620 H ILE 78 HN ILE 78 175.705 6.355 5.156 621 HA ILE 78 HA ILE 78 178.462 6.291 4.437 622 HB ILE 78 HB ILE 78 176.790 6.873 2.781 623 1HG1 ILE 78 HG12 ILE 78 178.508 9.306 3.286 624 2HG1 ILE 78 HG11 ILE 78 179.156 7.786 2.680 625 1HG2 ILE 78 HG21 ILE 78 175.082 8.003 3.817 626 2HG2 ILE 78 HG22 ILE 78 175.894 9.313 2.961 627 3HG2 ILE 78 HG23 ILE 78 176.171 9.082 4.686 628 1HD1 ILE 78 HD11 ILE 78 177.851 7.952 0.688 629 2HD1 ILE 78 HD12 ILE 78 178.703 9.478 0.928 630 3HD1 ILE 78 HD13 ILE 78 176.986 9.355 1.315 631 H ASN 79 HN ASN 79 176.556 8.414 6.529 632 HA ASN 79 HA ASN 79 178.594 10.386 6.766 633 1HB ASN 79 HB2 ASN 79 177.253 11.026 8.884 634 2HB ASN 79 HB1 ASN 79 176.488 11.212 7.309 635 1HD2 ASN 79 HD21 ASN 79 176.749 9.080 10.099 636 2HD2 ASN 79 HD22 ASN 79 175.179 8.379 9.936 637 H LYS 80 HN LYS 80 177.704 7.573 8.751 638 HA LYS 80 HA LYS 80 179.599 8.141 10.787 639 1HB LYS 80 HB2 LYS 80 179.136 5.955 11.650 640 2HB LYS 80 HB1 LYS 80 177.626 6.653 11.091 641 1HG LYS 80 HG2 LYS 80 177.385 5.143 9.408 642 2HG LYS 80 HG1 LYS 80 179.122 4.915 9.211 643 1HD LYS 80 HD2 LYS 80 177.950 2.939 10.165 644 2HD LYS 80 HD1 LYS 80 179.238 3.568 11.189 645 1HE LYS 80 HE2 LYS 80 176.739 4.850 11.818 646 2HE LYS 80 HE1 LYS 80 176.563 3.096 11.890 647 1HZ LYS 80 HZ1 LYS 80 177.330 3.472 13.972 648 2HZ LYS 80 HZ2 LYS 80 178.182 4.870 13.548 649 3HZ LYS 80 HZ3 LYS 80 178.829 3.348 13.198 650 H LEU 81 HN LEU 81 179.726 6.192 7.837 651 HA LEU 81 HA LEU 81 182.284 5.080 8.351 652 1HB LEU 81 HB2 LEU 81 180.355 4.676 6.449 653 2HB LEU 81 HB1 LEU 81 181.588 5.511 5.527 654 HG LEU 81 HG LEU 81 181.718 2.825 6.847 655 1HD1 LEU 81 HD11 LEU 81 181.159 3.417 4.352 656 2HD1 LEU 81 HD12 LEU 81 182.181 2.036 4.751 657 3HD1 LEU 81 HD13 LEU 81 182.913 3.551 4.220 658 1HD2 LEU 81 HD21 LEU 81 183.682 4.195 7.624 659 2HD2 LEU 81 HD22 LEU 81 184.160 4.331 5.934 660 3HD2 LEU 81 HD23 LEU 81 184.086 2.748 6.706 661 H GLU 82 HN GLU 82 181.170 7.960 6.640 662 HA GLU 82 HA GLU 82 183.558 8.807 5.515 663 1HB GLU 82 HB2 GLU 82 180.980 9.948 6.073 664 2HB GLU 82 HB1 GLU 82 182.231 11.123 6.459 665 1HG GLU 82 HG2 GLU 82 181.502 11.416 4.187 666 2HG GLU 82 HG1 GLU 82 183.169 10.838 4.208 667 H ARG 83 HN ARG 83 182.214 9.691 8.698 668 HA ARG 83 HA ARG 83 184.277 11.249 9.652 669 1HB ARG 83 HB2 ARG 83 182.246 11.040 10.912 670 2HB ARG 83 HB1 ARG 83 182.476 9.308 11.107 671 1HG ARG 83 HG2 ARG 83 184.684 10.893 12.167 672 2HG ARG 83 HG1 ARG 83 183.134 11.230 12.941 673 1HD ARG 83 HD2 ARG 83 182.835 8.835 13.370 674 2HD ARG 83 HD1 ARG 83 184.388 8.508 12.602 675 HE ARG 83 HE ARG 83 185.444 9.193 14.516 676 1HH1 ARG 83 HH11 ARG 83 182.106 10.208 14.634 677 2HH1 ARG 83 HH12 ARG 83 182.192 10.726 16.286 678 1HH2 ARG 83 HH21 ARG 83 185.558 9.872 16.686 679 2HH2 ARG 83 HH22 ARG 83 184.153 10.535 17.450 680 H GLN 84 HN GLN 84 183.937 7.711 9.902 681 HA GLN 84 HA GLN 84 186.416 7.293 11.203 682 1HB GLN 84 HB2 GLN 84 184.571 5.634 11.163 683 2HB GLN 84 HB1 GLN 84 184.867 5.377 9.449 684 1HG GLN 84 HG2 GLN 84 187.098 4.547 9.945 685 2HG GLN 84 HG1 GLN 84 186.833 4.836 11.663 686 1HE2 GLN 84 HE21 GLN 84 184.969 3.326 9.041 687 2HE2 GLN 84 HE22 GLN 84 184.646 1.858 9.889 688 H LEU 85 HN LEU 85 185.542 7.887 7.923 689 HA LEU 85 HA LEU 85 187.881 6.787 6.708 690 1HB LEU 85 HB2 LEU 85 185.598 7.286 5.635 691 2HB LEU 85 HB1 LEU 85 186.157 8.944 5.527 692 HG LEU 85 HG LEU 85 187.720 6.667 4.337 693 1HD1 LEU 85 HD11 LEU 85 185.224 7.886 3.399 694 2HD1 LEU 85 HD12 LEU 85 185.979 6.355 2.959 695 3HD1 LEU 85 HD13 LEU 85 186.526 7.854 2.208 696 1HD2 LEU 85 HD21 LEU 85 188.107 8.898 2.816 697 2HD2 LEU 85 HD22 LEU 85 189.166 8.366 4.121 698 3HD2 LEU 85 HD23 LEU 85 187.930 9.585 4.431 699 H ASN 86 HN ASN 86 186.819 10.192 6.972 700 HA ASN 86 HA ASN 86 189.136 11.418 6.209 701 1HB ASN 86 HB2 ASN 86 188.376 13.178 8.110 702 2HB ASN 86 HB1 ASN 86 187.605 13.050 6.535 703 1HD2 ASN 86 HD21 ASN 86 185.556 12.318 6.384 704 2HD2 ASN 86 HD22 ASN 86 184.562 11.961 7.746 705 H LYS 87 HN LYS 87 188.330 10.365 9.504 706 HA LYS 87 HA LYS 87 190.694 11.298 10.711 707 1HB LYS 87 HB2 LYS 87 190.107 9.909 12.590 708 2HB LYS 87 HB1 LYS 87 188.643 10.635 11.945 709 1HG LYS 87 HG2 LYS 87 187.962 8.478 12.302 710 2HG LYS 87 HG1 LYS 87 188.461 8.407 10.612 711 1HD LYS 87 HD2 LYS 87 189.943 6.822 11.096 712 2HD LYS 87 HD1 LYS 87 190.737 7.897 12.248 713 1HE LYS 87 HE2 LYS 87 188.226 6.640 13.159 714 2HE LYS 87 HE1 LYS 87 189.595 5.554 12.930 715 1HZ LYS 87 HZ1 LYS 87 190.803 6.588 14.568 716 2HZ LYS 87 HZ2 LYS 87 189.239 6.719 15.198 717 3HZ LYS 87 HZ3 LYS 87 189.960 8.050 14.444 718 H LEU 88 HN LEU 88 189.881 8.184 9.222 719 HA LEU 88 HA LEU 88 192.360 6.946 9.908 720 1HB LEU 88 HB2 LEU 88 190.230 5.737 9.364 721 2HB LEU 88 HB1 LEU 88 190.469 6.185 7.686 722 HG LEU 88 HG LEU 88 192.829 4.892 8.760 723 1HD1 LEU 88 HD11 LEU 88 191.597 3.576 10.197 724 2HD1 LEU 88 HD12 LEU 88 191.610 2.602 8.727 725 3HD1 LEU 88 HD13 LEU 88 190.185 3.556 9.140 726 1HD2 LEU 88 HD21 LEU 88 191.379 5.097 6.338 727 2HD2 LEU 88 HD22 LEU 88 191.512 3.384 6.736 728 3HD2 LEU 88 HD23 LEU 88 192.964 4.376 6.609 729 H GLN 89 HN GLN 89 191.074 8.215 6.843 730 HA GLN 89 HA GLN 89 193.434 7.867 5.353 731 1HB GLN 89 HB2 GLN 89 190.823 9.029 4.970 732 2HB GLN 89 HB1 GLN 89 192.056 10.068 4.268 733 1HG GLN 89 HG2 GLN 89 191.565 7.165 3.652 734 2HG GLN 89 HG1 GLN 89 191.253 8.547 2.603 735 1HE2 GLN 89 HE21 GLN 89 192.958 6.158 2.256 736 2HE2 GLN 89 HE22 GLN 89 194.533 6.769 1.892 737 H HIS 90 HN HIS 90 192.475 10.279 7.632 738 HA HIS 90 HA HIS 90 193.876 12.514 6.884 739 1HB HIS 90 HB2 HIS 90 192.745 12.988 8.787 740 2HB HIS 90 HB1 HIS 90 192.945 11.365 9.432 741 HD1 HIS 90 HD1 HIS 90 194.792 14.657 9.181 742 HD2 HIS 90 HD2 HIS 90 194.899 11.110 11.341 743 HE1 HIS 90 HE1 HIS 90 196.477 15.034 11.008 744 HE2 HIS 90 HE2 HIS 90 196.433 12.918 12.374 745 H LYS 91 HN LYS 91 195.152 9.493 8.044 746 HA LYS 91 HA LYS 91 197.835 10.391 7.417 747 1HB LYS 91 HB2 LYS 91 198.773 9.684 9.578 748 2HB LYS 91 HB1 LYS 91 197.652 11.025 9.760 749 1HG LYS 91 HG2 LYS 91 196.436 9.866 11.199 750 2HG LYS 91 HG1 LYS 91 196.224 8.564 10.027 751 1HD LYS 91 HD2 LYS 91 197.261 7.508 11.827 752 2HD LYS 91 HD1 LYS 91 198.599 7.845 10.727 753 1HE LYS 91 HE2 LYS 91 197.869 9.806 12.866 754 2HE LYS 91 HE1 LYS 91 198.847 8.390 13.255 755 1HZ LYS 91 HZ1 LYS 91 199.497 10.647 11.468 756 2HZ LYS 91 HZ2 LYS 91 200.284 9.160 11.300 757 3HZ LYS 91 HZ3 LYS 91 200.399 10.015 12.753 758 H GLY 92 HN GLY 92 197.416 8.813 5.735 759 1HA GLY 92 HA2 GLY 92 198.097 6.109 6.658 760 2HA GLY 92 HA1 GLY 92 196.709 6.313 5.600 761 H GLU 93 HN GLU 93 199.587 5.112 5.450 762 HA GLU 93 HA GLU 93 200.961 6.500 3.421 763 1HB GLU 93 HB2 GLU 93 201.548 4.374 4.993 764 2HB GLU 93 HB1 GLU 93 201.218 3.553 3.473 765 1HG GLU 93 HG2 GLU 93 203.025 5.909 3.432 766 2HG GLU 93 HG1 GLU 93 203.631 4.397 4.104 767 H ALA 94 HN ALA 94 200.755 6.542 1.261 768 HA ALA 94 HA ALA 94 198.453 5.190 0.094 769 1HB ALA 94 HB1 ALA 94 198.758 7.581 -0.331 770 2HB ALA 94 HB2 ALA 94 198.812 6.647 -1.826 771 3HB ALA 94 HB3 ALA 94 200.307 7.245 -1.106 772 H ARG 95 HN ARG 95 198.609 3.383 -1.057 773 HA ARG 95 HA ARG 95 200.873 2.843 -2.743 774 1HB ARG 95 HB2 ARG 95 201.045 0.486 -1.518 775 2HB ARG 95 HB1 ARG 95 202.028 1.861 -1.038 776 1HG ARG 95 HG2 ARG 95 201.074 0.705 0.887 777 2HG ARG 95 HG1 ARG 95 200.485 2.365 0.768 778 1HD ARG 95 HD2 ARG 95 198.359 1.720 0.400 779 2HD ARG 95 HD1 ARG 95 198.841 0.359 -0.614 780 HE ARG 95 HE ARG 95 198.598 -0.979 1.208 781 1HH1 ARG 95 HH11 ARG 95 199.185 2.274 2.331 782 2HH1 ARG 95 HH12 ARG 95 199.011 1.862 4.003 783 1HH2 ARG 95 HH21 ARG 95 198.370 -1.522 3.409 784 2HH2 ARG 95 HH22 ARG 95 198.551 -0.293 4.615 785 H ARG 96 HN ARG 96 200.625 0.641 -3.812 786 HA ARG 96 HA ARG 96 197.930 0.440 -4.779 787 1HB ARG 96 HB2 ARG 96 200.432 -1.125 -5.426 788 2HB ARG 96 HB1 ARG 96 198.894 -1.357 -6.242 789 1HG ARG 96 HG2 ARG 96 199.869 1.413 -6.168 790 2HG ARG 96 HG1 ARG 96 200.848 0.286 -7.107 791 1HD ARG 96 HD2 ARG 96 198.212 -0.300 -7.799 792 2HD ARG 96 HD1 ARG 96 198.282 1.460 -7.728 793 HE ARG 96 HE ARG 96 199.632 1.454 -9.582 794 1HH1 ARG 96 HH11 ARG 96 199.415 -1.790 -8.315 795 2HH1 ARG 96 HH12 ARG 96 200.217 -2.507 -9.671 796 1HH2 ARG 96 HH21 ARG 96 200.690 0.513 -11.366 797 2HH2 ARG 96 HH22 ARG 96 200.942 -1.200 -11.403 798 H ALA 97 HN ALA 97 199.978 -2.342 -3.993 799 HA ALA 97 HA ALA 97 199.506 -4.321 -2.970 800 1HB ALA 97 HB1 ALA 97 199.195 -4.088 -0.753 801 2HB ALA 97 HB2 ALA 97 197.751 -3.095 -0.950 802 3HB ALA 97 HB3 ALA 97 199.350 -2.369 -1.114 803 H ALA 98 HN ALA 98 198.272 -5.555 -4.277 804 HA ALA 98 HA ALA 98 196.449 -6.599 -5.152 805 1HB ALA 98 HB1 ALA 98 196.085 -7.161 -2.801 806 2HB ALA 98 HB2 ALA 98 194.556 -6.955 -3.656 807 3HB ALA 98 HB3 ALA 98 195.150 -5.680 -2.590 808 H THR 99 HN THR 99 196.772 -4.302 -6.407 809 HA THR 99 HA THR 99 194.390 -2.668 -6.274 810 HB THR 99 HB THR 99 196.730 -2.592 -8.190 811 HG1 THR 99 HG1 THR 99 196.126 -0.948 -5.961 812 1HG2 THR 99 HG21 THR 99 195.866 -0.123 -8.314 813 2HG2 THR 99 HG22 THR 99 194.319 -0.877 -7.932 814 3HG2 THR 99 HG23 THR 99 195.210 -1.371 -9.372 815 H SER 100 HN SER 100 195.590 -5.345 -8.120 816 HA SER 100 HA SER 100 194.038 -5.090 -10.439 817 1HB SER 100 HB2 SER 100 195.771 -6.700 -10.496 818 2HB SER 100 HB1 SER 100 195.205 -7.483 -9.021 819 HG SER 100 HG SER 100 193.641 -7.391 -11.375 820 H VAL 101 HN VAL 101 191.990 -4.351 -9.766 821 HA VAL 101 HA VAL 101 190.341 -6.225 -8.242 822 HB VAL 101 HB VAL 101 188.629 -4.200 -8.686 823 1HG1 VAL 101 HG11 VAL 101 189.279 -3.344 -6.471 824 2HG1 VAL 101 HG12 VAL 101 190.760 -4.299 -6.557 825 3HG1 VAL 101 HG13 VAL 101 189.191 -5.104 -6.519 826 1HG2 VAL 101 HG21 VAL 101 191.145 -2.645 -8.292 827 2HG2 VAL 101 HG22 VAL 101 189.574 -2.113 -8.888 828 3HG2 VAL 101 HG23 VAL 101 190.638 -3.056 -9.930 829 H LYS 102 HN LYS 102 189.246 -4.057 -10.821 830 HA LYS 102 HA LYS 102 187.786 -6.286 -11.996 831 1HB LYS 102 HB2 LYS 102 187.511 -3.360 -11.960 832 2HB LYS 102 HB1 LYS 102 187.151 -4.096 -13.515 833 1HG LYS 102 HG2 LYS 102 185.890 -4.879 -10.895 834 2HG LYS 102 HG1 LYS 102 185.158 -3.828 -12.111 835 1HD LYS 102 HD2 LYS 102 185.610 -5.837 -13.711 836 2HD LYS 102 HD1 LYS 102 185.694 -6.769 -12.214 837 1HE LYS 102 HE2 LYS 102 183.444 -6.824 -13.147 838 2HE LYS 102 HE1 LYS 102 183.463 -5.981 -11.599 839 1HZ LYS 102 HZ1 LYS 102 183.062 -3.973 -12.581 840 2HZ LYS 102 HZ2 LYS 102 182.214 -4.982 -13.640 841 3HZ LYS 102 HZ3 LYS 102 183.749 -4.414 -14.063 842 H ASP 103 HN ASP 103 189.498 -7.423 -12.962 843 HA ASP 103 HA ASP 103 191.070 -6.077 -15.010 844 1HB ASP 103 HB2 ASP 103 192.184 -8.320 -15.219 845 2HB ASP 103 HB1 ASP 103 192.299 -7.598 -13.618 846 H ALA 104 HN ALA 104 188.589 -8.565 -14.718 847 HA ALA 104 HA ALA 104 188.515 -8.971 -17.593 848 1HB ALA 104 HB1 ALA 104 188.270 -10.901 -16.130 849 2HB ALA 104 HB2 ALA 104 186.812 -10.661 -17.094 850 3HB ALA 104 HB3 ALA 104 186.838 -10.180 -15.397 851 H ASN 105 HN ASN 105 187.936 -6.645 -17.916 852 HA ASN 105 HA ASN 105 185.279 -5.817 -17.163 853 1HB ASN 105 HB2 ASN 105 187.422 -4.577 -18.889 854 2HB ASN 105 HB1 ASN 105 185.835 -3.840 -18.673 855 1HD2 ASN 105 HD21 ASN 105 185.211 -3.929 -16.183 856 2HD2 ASN 105 HD22 ASN 105 186.412 -3.238 -15.150 857 H PHE 106 HN PHE 106 186.875 -6.234 -20.331 858 HA PHE 106 HA PHE 106 184.329 -6.380 -21.671 859 1HB PHE 106 HB2 PHE 106 187.060 -6.960 -22.825 860 2HB PHE 106 HB1 PHE 106 185.596 -6.537 -23.709 861 HD1 PHE 106 HD1 PHE 106 188.212 -5.255 -21.454 862 HD2 PHE 106 HD2 PHE 106 184.933 -4.280 -23.985 863 HE1 PHE 106 HE1 PHE 106 188.835 -2.877 -21.340 864 HE2 PHE 106 HE2 PHE 106 185.550 -1.901 -23.877 865 HZ PHE 106 HZ PHE 106 187.504 -1.197 -22.553 866 H VAL 107 HN VAL 107 183.279 -8.199 -20.910 867 HA VAL 107 HA VAL 107 184.598 -10.790 -21.122 868 HB VAL 107 HB VAL 107 181.749 -10.308 -20.267 869 1HG1 VAL 107 HG11 VAL 107 181.721 -12.463 -19.605 870 2HG1 VAL 107 HG12 VAL 107 183.403 -12.434 -19.075 871 3HG1 VAL 107 HG13 VAL 107 183.020 -12.630 -20.786 872 1HG2 VAL 107 HG21 VAL 107 184.289 -9.865 -18.774 873 2HG2 VAL 107 HG22 VAL 107 182.906 -10.544 -17.913 874 3HG2 VAL 107 HG23 VAL 107 182.769 -8.974 -18.705 875 H GLU 108 HN GLU 108 184.277 -12.203 -22.730 876 HA GLU 108 HA GLU 108 182.477 -11.432 -24.890 877 1HB GLU 108 HB2 GLU 108 184.400 -13.752 -24.911 878 2HB GLU 108 HB1 GLU 108 183.717 -12.894 -26.284 879 1HG GLU 108 HG2 GLU 108 185.131 -11.021 -24.690 880 2HG GLU 108 HG1 GLU 108 186.164 -12.427 -24.941 881 H GLU 109 HN GLU 109 182.090 -13.991 -26.010 882 HA GLU 109 HA GLU 109 180.018 -14.993 -24.206 883 1HB GLU 109 HB2 GLU 109 180.291 -16.065 -26.962 884 2HB GLU 109 HB1 GLU 109 178.843 -15.673 -26.048 885 1HG GLU 109 HG2 GLU 109 178.722 -13.984 -27.526 886 2HG GLU 109 HG1 GLU 109 179.823 -13.206 -26.388 887 H VAL 110 HN VAL 110 182.873 -15.622 -23.829 888 HA VAL 110 HA VAL 110 182.825 -18.520 -24.277 889 HB VAL 110 HB VAL 110 185.276 -16.957 -23.543 890 1HG1 VAL 110 HG11 VAL 110 185.585 -19.276 -25.253 891 2HG1 VAL 110 HG12 VAL 110 184.766 -19.672 -23.742 892 3HG1 VAL 110 HG13 VAL 110 186.351 -18.899 -23.711 893 1HG2 VAL 110 HG21 VAL 110 185.704 -17.318 -26.132 894 2HG2 VAL 110 HG22 VAL 110 184.887 -15.881 -25.518 895 3HG2 VAL 110 HG23 VAL 110 183.944 -17.212 -26.188 896 H GLU 111 HN GLU 111 184.237 -16.292 -21.980 897 HA GLU 111 HA GLU 111 183.816 -18.223 -19.832 898 1HB GLU 111 HB2 GLU 111 185.209 -16.564 -18.505 899 2HB GLU 111 HB1 GLU 111 186.024 -17.373 -19.837 900 1HG GLU 111 HG2 GLU 111 186.243 -15.471 -21.044 901 2HG GLU 111 HG1 GLU 111 184.741 -14.777 -20.432 902 H GLU 112 HN GLU 112 181.533 -17.957 -19.674 903 HA GLU 112 HA GLU 112 180.436 -15.376 -18.997 904 1HB GLU 112 HB2 GLU 112 179.052 -18.038 -18.709 905 2HB GLU 112 HB1 GLU 112 178.320 -16.456 -18.936 906 1HG GLU 112 HG2 GLU 112 179.291 -16.366 -21.200 907 2HG GLU 112 HG1 GLU 112 179.927 -17.994 -20.964 908 H GLU 113 HN GLU 113 182.217 -15.430 -17.184 909 HA GLU 113 HA GLU 113 181.219 -16.739 -14.767 910 1HB GLU 113 HB2 GLU 113 183.611 -16.954 -15.279 911 2HB GLU 113 HB1 GLU 113 183.779 -15.204 -15.248 912 1HG GLU 113 HG2 GLU 113 183.907 -15.139 -13.023 913 2HG GLU 113 HG1 GLU 113 182.596 -16.299 -12.818 Start of MODEL 7 1 1H MET 1 HT1 MET 1 187.580 1.050 -7.672 2 2H MET 1 HT2 MET 1 186.543 1.031 -9.040 3 3H MET 1 HT3 MET 1 187.416 -0.380 -8.603 4 HA MET 1 HA MET 1 186.214 -0.448 -6.518 5 1HB MET 1 HB2 MET 1 184.170 0.966 -6.373 6 2HB MET 1 HB1 MET 1 185.662 1.892 -6.326 7 1HG MET 1 HG2 MET 1 185.116 3.046 -8.140 8 2HG MET 1 HG1 MET 1 184.662 1.591 -9.026 9 1HE MET 1 HE1 MET 1 183.787 3.377 -5.936 10 2HE MET 1 HE2 MET 1 182.108 2.899 -5.689 11 3HE MET 1 HE3 MET 1 182.480 4.432 -6.475 12 H THR 2 HN THR 2 185.301 -2.362 -6.787 13 HA THR 2 HA THR 2 183.964 -3.035 -9.267 14 HB THR 2 HB THR 2 184.004 -4.951 -6.997 15 HG1 THR 2 HG1 THR 2 186.024 -4.290 -6.663 16 1HG2 THR 2 HG21 THR 2 183.833 -5.080 -9.829 17 2HG2 THR 2 HG22 THR 2 183.698 -6.383 -8.646 18 3HG2 THR 2 HG23 THR 2 185.277 -5.946 -9.304 19 H MET 3 HN MET 3 182.208 -5.022 -7.811 20 HA MET 3 HA MET 3 180.342 -3.405 -6.331 21 1HB MET 3 HB2 MET 3 179.801 -2.781 -8.653 22 2HB MET 3 HB1 MET 3 179.544 -4.477 -9.045 23 1HG MET 3 HG2 MET 3 177.491 -4.488 -8.179 24 2HG MET 3 HG1 MET 3 177.978 -3.559 -6.763 25 1HE MET 3 HE1 MET 3 178.190 -0.072 -7.889 26 2HE MET 3 HE2 MET 3 178.465 -1.321 -6.673 27 3HE MET 3 HE3 MET 3 176.886 -0.545 -6.802 28 H ASN 4 HN ASN 4 180.795 -5.044 -4.784 29 HA ASN 4 HA ASN 4 179.748 -7.714 -5.411 30 1HB ASN 4 HB2 ASN 4 182.024 -6.859 -3.996 31 2HB ASN 4 HB1 ASN 4 180.925 -7.503 -2.780 32 1HD2 ASN 4 HD21 ASN 4 181.618 -8.402 -6.138 33 2HD2 ASN 4 HD22 ASN 4 182.009 -10.050 -5.797 34 H ILE 5 HN ILE 5 177.546 -6.853 -5.317 35 HA ILE 5 HA ILE 5 176.578 -6.048 -2.697 36 HB ILE 5 HB ILE 5 174.846 -6.542 -5.105 37 1HG1 ILE 5 HG12 ILE 5 176.362 -4.006 -4.439 38 2HG1 ILE 5 HG11 ILE 5 176.691 -5.067 -5.805 39 1HG2 ILE 5 HG21 ILE 5 174.156 -5.971 -2.581 40 2HG2 ILE 5 HG22 ILE 5 173.230 -5.427 -3.982 41 3HG2 ILE 5 HG23 ILE 5 174.374 -4.333 -3.201 42 1HD1 ILE 5 HD11 ILE 5 174.112 -4.545 -6.270 43 2HD1 ILE 5 HD12 ILE 5 175.428 -3.545 -6.882 44 3HD1 ILE 5 HD13 ILE 5 174.563 -3.067 -5.421 45 H THR 6 HN THR 6 175.581 -7.343 -1.280 46 HA THR 6 HA THR 6 174.376 -9.843 -2.156 47 HB THR 6 HB THR 6 176.525 -10.698 -1.727 48 HG1 THR 6 HG1 THR 6 175.228 -10.957 0.775 49 1HG2 THR 6 HG21 THR 6 177.996 -9.461 -0.629 50 2HG2 THR 6 HG22 THR 6 177.275 -10.082 0.856 51 3HG2 THR 6 HG23 THR 6 176.731 -8.542 0.187 52 H SER 7 HN SER 7 172.372 -9.264 -1.452 53 HA SER 7 HA SER 7 172.042 -8.243 1.263 54 1HB SER 7 HB2 SER 7 170.179 -8.521 -1.090 55 2HB SER 7 HB1 SER 7 169.589 -8.124 0.524 56 HG SER 7 HG SER 7 169.989 -6.223 -0.599 57 H LYS 8 HN LYS 8 170.750 -9.257 2.835 58 HA LYS 8 HA LYS 8 170.843 -12.122 2.758 59 1HB LYS 8 HB2 LYS 8 171.292 -10.863 4.820 60 2HB LYS 8 HB1 LYS 8 169.638 -10.269 4.821 61 1HG LYS 8 HG2 LYS 8 169.815 -12.060 6.392 62 2HG LYS 8 HG1 LYS 8 168.854 -12.611 5.020 63 1HD LYS 8 HD2 LYS 8 170.477 -14.304 5.766 64 2HD LYS 8 HD1 LYS 8 170.764 -13.784 4.105 65 1HE LYS 8 HE2 LYS 8 172.803 -14.011 5.608 66 2HE LYS 8 HE1 LYS 8 172.634 -12.498 4.717 67 1HZ LYS 8 HZ1 LYS 8 171.987 -11.363 6.635 68 2HZ LYS 8 HZ2 LYS 8 173.258 -12.350 7.157 69 3HZ LYS 8 HZ3 LYS 8 171.658 -12.782 7.495 70 H GLN 9 HN GLN 9 167.996 -10.414 3.986 71 HA GLN 9 HA GLN 9 166.326 -12.193 2.373 72 1HB GLN 9 HB2 GLN 9 165.363 -10.323 4.535 73 2HB GLN 9 HB1 GLN 9 164.539 -11.724 3.871 74 1HG GLN 9 HG2 GLN 9 165.363 -12.972 5.487 75 2HG GLN 9 HG1 GLN 9 166.995 -12.627 4.923 76 1HE2 GLN 9 HE21 GLN 9 166.957 -9.835 5.480 77 2HE2 GLN 9 HE22 GLN 9 166.988 -9.643 7.194 78 H MET 10 HN MET 10 166.320 -8.772 3.364 79 HA MET 10 HA MET 10 164.491 -7.938 1.383 80 1HB MET 10 HB2 MET 10 164.694 -6.533 3.253 81 2HB MET 10 HB1 MET 10 166.448 -6.507 3.160 82 1HG MET 10 HG2 MET 10 165.418 -4.378 2.508 83 2HG MET 10 HG1 MET 10 166.378 -5.097 1.218 84 1HE MET 10 HE1 MET 10 163.093 -5.414 2.850 85 2HE MET 10 HE2 MET 10 162.176 -6.251 1.599 86 3HE MET 10 HE3 MET 10 162.026 -4.504 1.782 87 H GLU 11 HN GLU 11 164.834 -7.976 -0.735 88 HA GLU 11 HA GLU 11 167.419 -8.133 -1.906 89 1HB GLU 11 HB2 GLU 11 164.978 -7.307 -3.446 90 2HB GLU 11 HB1 GLU 11 166.328 -8.303 -3.968 91 1HG GLU 11 HG2 GLU 11 164.907 -9.996 -3.670 92 2HG GLU 11 HG1 GLU 11 165.314 -9.817 -1.964 93 H ILE 12 HN ILE 12 167.837 -6.537 -3.875 94 HA ILE 12 HA ILE 12 168.012 -3.891 -2.659 95 HB ILE 12 HB ILE 12 169.224 -3.746 -5.191 96 1HG1 ILE 12 HG12 ILE 12 169.155 -6.252 -5.231 97 2HG1 ILE 12 HG11 ILE 12 170.780 -5.582 -5.276 98 1HG2 ILE 12 HG21 ILE 12 170.010 -3.664 -2.367 99 2HG2 ILE 12 HG22 ILE 12 170.383 -2.558 -3.689 100 3HG2 ILE 12 HG23 ILE 12 171.313 -4.044 -3.492 101 1HD1 ILE 12 HD11 ILE 12 170.024 -7.595 -3.668 102 2HD1 ILE 12 HD12 ILE 12 169.753 -6.220 -2.598 103 3HD1 ILE 12 HD13 ILE 12 171.347 -6.487 -3.303 104 H THR 13 HN THR 13 166.211 -2.742 -2.916 105 HA THR 13 HA THR 13 164.553 -2.942 -5.236 106 HB THR 13 HB THR 13 163.137 -1.371 -4.183 107 HG1 THR 13 HG1 THR 13 164.144 0.334 -3.491 108 1HG2 THR 13 HG21 THR 13 164.491 -2.655 -1.833 109 2HG2 THR 13 HG22 THR 13 163.396 -3.515 -2.913 110 3HG2 THR 13 HG23 THR 13 162.811 -2.142 -1.975 111 HA PRO 14 HA PRO 14 166.277 -0.077 -8.079 112 1HB PRO 14 HB2 PRO 14 164.035 1.531 -8.565 113 2HB PRO 14 HB1 PRO 14 164.463 0.053 -9.431 114 1HG PRO 14 HG2 PRO 14 162.529 0.449 -7.197 115 2HG PRO 14 HG1 PRO 14 162.430 -0.640 -8.592 116 1HD PRO 14 HD2 PRO 14 163.042 -1.558 -6.154 117 2HD PRO 14 HD1 PRO 14 163.814 -2.225 -7.609 118 H ALA 15 HN ALA 15 164.236 1.311 -5.539 119 HA ALA 15 HA ALA 15 165.309 3.932 -5.695 120 1HB ALA 15 HB1 ALA 15 163.209 3.773 -4.679 121 2HB ALA 15 HB2 ALA 15 164.311 4.111 -3.343 122 3HB ALA 15 HB3 ALA 15 163.724 2.469 -3.610 123 H ILE 16 HN ILE 16 165.912 1.245 -3.432 124 HA ILE 16 HA ILE 16 167.935 2.557 -1.969 125 HB ILE 16 HB ILE 16 167.509 -0.414 -2.339 126 1HG1 ILE 16 HG12 ILE 16 166.512 1.499 -0.215 127 2HG1 ILE 16 HG11 ILE 16 165.530 0.688 -1.429 128 1HG2 ILE 16 HG21 ILE 16 168.646 0.341 0.187 129 2HG2 ILE 16 HG22 ILE 16 169.644 0.955 -1.129 130 3HG2 ILE 16 HG23 ILE 16 169.274 -0.766 -1.034 131 1HD1 ILE 16 HD11 ILE 16 166.862 -1.368 -0.131 132 2HD1 ILE 16 HD12 ILE 16 165.175 -0.898 0.075 133 3HD1 ILE 16 HD13 ILE 16 166.411 -0.243 1.149 134 H ARG 17 HN ARG 17 168.131 0.161 -4.595 135 HA ARG 17 HA ARG 17 170.887 -0.044 -4.760 136 1HB ARG 17 HB2 ARG 17 169.603 -1.589 -5.997 137 2HB ARG 17 HB1 ARG 17 168.724 -0.322 -6.836 138 1HG ARG 17 HG2 ARG 17 170.735 0.268 -8.078 139 2HG ARG 17 HG1 ARG 17 171.640 -0.976 -7.214 140 1HD ARG 17 HD2 ARG 17 170.533 -2.706 -8.286 141 2HD ARG 17 HD1 ARG 17 169.155 -1.693 -8.713 142 HE ARG 17 HE ARG 17 171.568 -0.846 -9.986 143 1HH1 ARG 17 HH11 ARG 17 168.947 -3.141 -10.167 144 2HH1 ARG 17 HH12 ARG 17 169.084 -3.353 -11.881 145 1HH2 ARG 17 HH21 ARG 17 171.751 -1.122 -12.240 146 2HH2 ARG 17 HH22 ARG 17 170.676 -2.208 -13.058 147 H GLN 18 HN GLN 18 168.758 2.447 -6.041 148 HA GLN 18 HA GLN 18 170.744 3.696 -7.664 149 1HB GLN 18 HB2 GLN 18 167.975 4.018 -7.198 150 2HB GLN 18 HB1 GLN 18 168.726 5.558 -6.811 151 1HG GLN 18 HG2 GLN 18 167.952 5.330 -9.166 152 2HG GLN 18 HG1 GLN 18 169.654 5.751 -8.984 153 1HE2 GLN 18 HE21 GLN 18 168.144 2.590 -8.605 154 2HE2 GLN 18 HE22 GLN 18 168.988 1.828 -9.904 155 H HIS 19 HN HIS 19 169.484 4.307 -4.406 156 HA HIS 19 HA HIS 19 170.871 6.651 -3.844 157 1HB HIS 19 HB2 HIS 19 169.369 4.691 -2.372 158 2HB HIS 19 HB1 HIS 19 170.799 5.145 -1.453 159 HD1 HIS 19 HD1 HIS 19 168.432 7.263 -3.556 160 HD2 HIS 19 HD2 HIS 19 169.962 7.021 0.299 161 HE1 HIS 19 HE1 HIS 19 167.505 9.258 -2.337 162 HE2 HIS 19 HE2 HIS 19 168.366 9.036 0.018 163 H VAL 20 HN VAL 20 171.872 3.278 -3.339 164 HA VAL 20 HA VAL 20 174.390 3.909 -2.207 165 HB VAL 20 HB VAL 20 173.407 1.395 -3.567 166 1HG1 VAL 20 HG11 VAL 20 175.999 1.924 -2.125 167 2HG1 VAL 20 HG12 VAL 20 175.777 1.353 -3.779 168 3HG1 VAL 20 HG13 VAL 20 175.361 0.307 -2.422 169 1HG2 VAL 20 HG21 VAL 20 173.644 2.265 -0.699 170 2HG2 VAL 20 HG22 VAL 20 173.461 0.575 -1.165 171 3HG2 VAL 20 HG23 VAL 20 172.203 1.743 -1.569 172 H ALA 21 HN ALA 21 173.256 3.474 -5.496 173 HA ALA 21 HA ALA 21 175.649 3.137 -6.854 174 1HB ALA 21 HB1 ALA 21 173.792 4.922 -8.227 175 2HB ALA 21 HB2 ALA 21 173.027 3.476 -7.573 176 3HB ALA 21 HB3 ALA 21 174.384 3.326 -8.688 177 H ASP 22 HN ASP 22 173.945 6.247 -6.433 178 HA ASP 22 HA ASP 22 176.064 7.841 -7.343 179 1HB ASP 22 HB2 ASP 22 173.704 8.455 -5.566 180 2HB ASP 22 HB1 ASP 22 174.842 9.690 -6.092 181 H ARG 23 HN ARG 23 175.310 6.546 -4.180 182 HA ARG 23 HA ARG 23 177.140 8.161 -2.722 183 1HB ARG 23 HB2 ARG 23 175.440 5.812 -2.189 184 2HB ARG 23 HB1 ARG 23 176.889 5.917 -1.198 185 1HG ARG 23 HG2 ARG 23 174.938 6.955 -0.134 186 2HG ARG 23 HG1 ARG 23 176.244 8.107 -0.416 187 1HD ARG 23 HD2 ARG 23 175.016 8.680 -2.588 188 2HD ARG 23 HD1 ARG 23 173.645 7.814 -1.892 189 HE ARG 23 HE ARG 23 174.580 10.423 -1.179 190 1HH1 ARG 23 HH11 ARG 23 172.935 7.584 0.015 191 2HH1 ARG 23 HH12 ARG 23 172.096 8.443 1.264 192 1HH2 ARG 23 HH21 ARG 23 173.477 11.553 0.465 193 2HH2 ARG 23 HH22 ARG 23 172.403 10.694 1.520 194 H LEU 24 HN LEU 24 177.354 4.977 -4.240 195 HA LEU 24 HA LEU 24 179.893 4.280 -3.242 196 1HB LEU 24 HB2 LEU 24 177.980 3.076 -4.831 197 2HB LEU 24 HB1 LEU 24 179.330 3.287 -5.930 198 HG LEU 24 HG LEU 24 180.783 2.006 -4.487 199 1HD1 LEU 24 HD11 LEU 24 178.487 2.205 -2.587 200 2HD1 LEU 24 HD12 LEU 24 180.207 2.476 -2.303 201 3HD1 LEU 24 HD13 LEU 24 179.592 0.835 -2.498 202 1HD2 LEU 24 HD21 LEU 24 178.424 0.248 -4.408 203 2HD2 LEU 24 HD22 LEU 24 180.003 0.003 -5.156 204 3HD2 LEU 24 HD23 LEU 24 178.781 0.974 -5.976 205 H ALA 25 HN ALA 25 178.957 5.687 -6.379 206 HA ALA 25 HA ALA 25 181.552 6.003 -7.382 207 1HB ALA 25 HB1 ALA 25 180.557 7.597 -8.957 208 2HB ALA 25 HB2 ALA 25 179.081 7.623 -7.993 209 3HB ALA 25 HB3 ALA 25 179.582 6.137 -8.801 210 H LYS 26 HN LYS 26 179.456 8.341 -5.700 211 HA LYS 26 HA LYS 26 181.243 10.491 -5.695 212 1HB LYS 26 HB2 LYS 26 178.883 10.744 -5.115 213 2HB LYS 26 HB1 LYS 26 179.115 9.773 -3.669 214 1HG LYS 26 HG2 LYS 26 180.620 11.477 -2.767 215 2HG LYS 26 HG1 LYS 26 180.373 12.455 -4.215 216 1HD LYS 26 HD2 LYS 26 178.356 13.179 -3.531 217 2HD LYS 26 HD1 LYS 26 177.901 11.601 -2.883 218 1HE LYS 26 HE2 LYS 26 178.744 12.052 -0.815 219 2HE LYS 26 HE1 LYS 26 179.998 13.121 -1.439 220 1HZ LYS 26 HZ1 LYS 26 178.463 14.467 -0.290 221 2HZ LYS 26 HZ2 LYS 26 177.129 13.740 -1.034 222 3HZ LYS 26 HZ3 LYS 26 178.161 14.733 -1.935 223 H LEU 27 HN LEU 27 180.822 7.832 -3.409 224 HA LEU 27 HA LEU 27 182.645 8.753 -1.466 225 1HB LEU 27 HB2 LEU 27 180.996 7.036 -0.980 226 2HB LEU 27 HB1 LEU 27 181.738 5.954 -2.140 227 HG LEU 27 HG LEU 27 182.194 5.528 0.336 228 1HD1 LEU 27 HD11 LEU 27 183.653 5.016 -1.918 229 2HD1 LEU 27 HD12 LEU 27 183.958 4.339 -0.320 230 3HD1 LEU 27 HD13 LEU 27 184.844 5.766 -0.855 231 1HD2 LEU 27 HD21 LEU 27 182.657 7.703 1.148 232 2HD2 LEU 27 HD22 LEU 27 183.878 7.984 -0.093 233 3HD2 LEU 27 HD23 LEU 27 184.179 6.816 1.194 234 H GLU 28 HN GLU 28 183.082 7.158 -4.515 235 HA GLU 28 HA GLU 28 185.670 6.106 -4.053 236 1HB GLU 28 HB2 GLU 28 184.096 5.481 -5.932 237 2HB GLU 28 HB1 GLU 28 184.552 6.987 -6.714 238 1HG GLU 28 HG2 GLU 28 186.969 5.791 -6.094 239 2HG GLU 28 HG1 GLU 28 185.942 4.454 -6.611 240 H LYS 29 HN LYS 29 184.503 9.284 -4.758 241 HA LYS 29 HA LYS 29 186.941 10.335 -5.802 242 1HB LYS 29 HB2 LYS 29 184.697 11.333 -6.218 243 2HB LYS 29 HB1 LYS 29 184.641 11.827 -4.532 244 1HG LYS 29 HG2 LYS 29 185.439 13.757 -5.361 245 2HG LYS 29 HG1 LYS 29 186.988 12.920 -5.246 246 1HD LYS 29 HD2 LYS 29 187.148 13.552 -7.416 247 2HD LYS 29 HD1 LYS 29 186.210 12.080 -7.673 248 1HE LYS 29 HE2 LYS 29 184.193 13.284 -7.887 249 2HE LYS 29 HE1 LYS 29 184.913 14.757 -7.238 250 1HZ LYS 29 HZ1 LYS 29 186.463 14.362 -9.354 251 2HZ LYS 29 HZ2 LYS 29 185.038 15.272 -9.415 252 3HZ LYS 29 HZ3 LYS 29 185.034 13.661 -9.929 253 H TRP 30 HN TRP 30 185.740 9.729 -2.616 254 HA TRP 30 HA TRP 30 187.081 11.600 -1.077 255 1HB TRP 30 HB2 TRP 30 185.985 8.908 -0.657 256 2HB TRP 30 HB1 TRP 30 187.294 9.317 0.444 257 HD1 TRP 30 HD1 TRP 30 183.675 10.116 -0.336 258 HE1 TRP 30 HE1 TRP 30 182.727 11.648 1.500 259 HE3 TRP 30 HE3 TRP 30 188.017 11.205 2.139 260 HZ2 TRP 30 HZ2 TRP 30 183.689 13.124 3.704 261 HZ3 TRP 30 HZ3 TRP 30 187.914 12.686 4.100 262 HH2 TRP 30 HH2 TRP 30 185.795 13.625 4.865 263 H GLN 31 HN GLN 31 188.971 10.975 0.448 264 HA GLN 31 HA GLN 31 191.272 10.540 -1.201 265 1HB GLN 31 HB2 GLN 31 190.883 10.972 1.751 266 2HB GLN 31 HB1 GLN 31 192.461 10.617 1.067 267 1HG GLN 31 HG2 GLN 31 192.691 12.809 0.814 268 2HG GLN 31 HG1 GLN 31 191.546 12.666 -0.517 269 1HE2 GLN 31 HE21 GLN 31 189.392 13.248 -0.190 270 2HE2 GLN 31 HE22 GLN 31 188.904 14.228 1.147 271 H THR 32 HN THR 32 190.128 8.373 -1.754 272 HA THR 32 HA THR 32 191.619 6.292 -0.395 273 HB THR 32 HB THR 32 189.253 4.993 -0.526 274 HG1 THR 32 HG1 THR 32 187.622 6.342 0.135 275 1HG2 THR 32 HG21 THR 32 189.086 5.121 1.804 276 2HG2 THR 32 HG22 THR 32 189.856 6.707 1.854 277 3HG2 THR 32 HG23 THR 32 190.807 5.276 1.454 278 H HIS 33 HN HIS 33 190.729 4.062 -1.548 279 HA HIS 33 HA HIS 33 190.946 4.632 -4.431 280 1HB HIS 33 HB2 HIS 33 191.886 2.204 -2.892 281 2HB HIS 33 HB1 HIS 33 192.014 2.411 -4.636 282 HD1 HIS 33 HD1 HIS 33 194.627 1.945 -3.579 283 HD2 HIS 33 HD2 HIS 33 192.949 5.737 -3.313 284 HE1 HIS 33 HE1 HIS 33 196.562 3.516 -3.249 285 HE2 HIS 33 HE2 HIS 33 195.516 5.794 -3.008 286 H LEU 34 HN LEU 34 189.504 2.401 -2.072 287 HA LEU 34 HA LEU 34 187.643 1.096 -2.142 288 1HB LEU 34 HB2 LEU 34 186.714 2.966 -4.319 289 2HB LEU 34 HB1 LEU 34 185.709 1.940 -3.313 290 HG LEU 34 HG LEU 34 185.439 4.103 -2.445 291 1HD1 LEU 34 HD11 LEU 34 185.795 3.619 -0.293 292 2HD1 LEU 34 HD12 LEU 34 187.538 3.477 -0.515 293 3HD1 LEU 34 HD13 LEU 34 186.487 2.113 -0.888 294 1HD2 LEU 34 HD21 LEU 34 187.518 4.940 -3.684 295 2HD2 LEU 34 HD22 LEU 34 188.400 4.507 -2.219 296 3HD2 LEU 34 HD23 LEU 34 187.110 5.707 -2.149 297 H ILE 35 HN ILE 35 188.318 -0.833 -2.876 298 HA ILE 35 HA ILE 35 188.371 -1.246 -5.794 299 HB ILE 35 HB ILE 35 189.507 -3.373 -4.106 300 1HG1 ILE 35 HG12 ILE 35 190.241 -1.314 -2.896 301 2HG1 ILE 35 HG11 ILE 35 191.573 -2.228 -3.598 302 1HG2 ILE 35 HG21 ILE 35 189.566 -3.363 -6.565 303 2HG2 ILE 35 HG22 ILE 35 191.178 -3.422 -5.852 304 3HG2 ILE 35 HG23 ILE 35 190.564 -1.909 -6.519 305 1HD1 ILE 35 HD11 ILE 35 191.866 0.167 -3.899 306 2HD1 ILE 35 HD12 ILE 35 190.336 0.251 -4.771 307 3HD1 ILE 35 HD13 ILE 35 191.689 -0.654 -5.449 308 H ASN 36 HN ASN 36 187.596 -3.012 -2.794 309 HA ASN 36 HA ASN 36 185.581 -4.526 -4.312 310 1HB ASN 36 HB2 ASN 36 187.034 -5.220 -1.754 311 2HB ASN 36 HB1 ASN 36 185.757 -6.199 -2.470 312 1HD2 ASN 36 HD21 ASN 36 188.078 -7.406 -2.059 313 2HD2 ASN 36 HD22 ASN 36 188.938 -7.648 -3.536 314 HA PRO 37 HA PRO 37 182.988 -1.976 -1.513 315 1HB PRO 37 HB2 PRO 37 181.102 -1.330 -3.299 316 2HB PRO 37 HB1 PRO 37 182.662 -0.499 -3.272 317 1HG PRO 37 HG2 PRO 37 181.706 -2.673 -5.087 318 2HG PRO 37 HG1 PRO 37 182.651 -1.224 -5.473 319 1HD PRO 37 HD2 PRO 37 183.724 -3.739 -5.121 320 2HD PRO 37 HD1 PRO 37 184.626 -2.225 -4.917 321 H HIS 38 HN HIS 38 182.203 -3.616 -0.215 322 HA HIS 38 HA HIS 38 180.315 -5.533 -1.342 323 1HB HIS 38 HB2 HIS 38 182.224 -5.619 0.758 324 2HB HIS 38 HB1 HIS 38 180.637 -5.847 1.488 325 HD1 HIS 38 HD1 HIS 38 183.259 -7.804 0.306 326 HD2 HIS 38 HD2 HIS 38 179.156 -7.889 -0.340 327 HE1 HIS 38 HE1 HIS 38 182.750 -10.140 -0.474 328 HE2 HIS 38 HE2 HIS 38 180.272 -10.146 -0.930 329 H ILE 39 HN ILE 39 178.289 -4.821 -1.516 330 HA ILE 39 HA ILE 39 177.202 -3.104 0.607 331 HB ILE 39 HB ILE 39 176.227 -3.577 -2.213 332 1HG1 ILE 39 HG12 ILE 39 176.733 -1.123 -2.427 333 2HG1 ILE 39 HG11 ILE 39 177.486 -1.196 -0.838 334 1HG2 ILE 39 HG21 ILE 39 174.909 -2.394 0.136 335 2HG2 ILE 39 HG22 ILE 39 174.214 -3.102 -1.321 336 3HG2 ILE 39 HG23 ILE 39 174.814 -1.444 -1.346 337 1HD1 ILE 39 HD11 ILE 39 178.755 -1.552 -3.229 338 2HD1 ILE 39 HD12 ILE 39 178.494 -3.208 -2.684 339 3HD1 ILE 39 HD13 ILE 39 179.362 -2.068 -1.655 340 H ILE 40 HN ILE 40 176.145 -4.177 2.132 341 HA ILE 40 HA ILE 40 174.518 -6.509 1.351 342 HB ILE 40 HB ILE 40 175.634 -5.935 4.098 343 1HG1 ILE 40 HG12 ILE 40 176.638 -7.971 2.102 344 2HG1 ILE 40 HG11 ILE 40 177.381 -6.390 2.329 345 1HG2 ILE 40 HG21 ILE 40 174.764 -7.948 4.781 346 2HG2 ILE 40 HG22 ILE 40 174.722 -8.608 3.147 347 3HG2 ILE 40 HG23 ILE 40 173.522 -7.416 3.646 348 1HD1 ILE 40 HD11 ILE 40 177.593 -8.812 3.929 349 2HD1 ILE 40 HD12 ILE 40 177.280 -7.361 4.881 350 3HD1 ILE 40 HD13 ILE 40 178.678 -7.428 3.809 351 H LEU 41 HN LEU 41 172.478 -5.813 1.120 352 HA LEU 41 HA LEU 41 171.383 -3.976 3.140 353 1HB LEU 41 HB2 LEU 41 171.149 -3.023 0.994 354 2HB LEU 41 HB1 LEU 41 170.645 -4.542 0.284 355 HG LEU 41 HG LEU 41 168.676 -4.013 2.175 356 1HD1 LEU 41 HD11 LEU 41 167.943 -1.713 1.508 357 2HD1 LEU 41 HD12 LEU 41 169.547 -1.477 0.815 358 3HD1 LEU 41 HD13 LEU 41 169.370 -1.771 2.544 359 1HD2 LEU 41 HD21 LEU 41 168.091 -4.965 0.126 360 2HD2 LEU 41 HD22 LEU 41 168.861 -3.677 -0.797 361 3HD2 LEU 41 HD23 LEU 41 167.361 -3.359 0.075 362 H SER 42 HN SER 42 170.660 -5.265 4.747 363 HA SER 42 HA SER 42 168.819 -7.450 4.028 364 1HB SER 42 HB2 SER 42 170.589 -7.097 6.452 365 2HB SER 42 HB1 SER 42 169.375 -8.368 6.299 366 HG SER 42 HG SER 42 171.788 -8.589 5.534 367 H LYS 43 HN LYS 43 167.175 -7.906 5.835 368 HA LYS 43 HA LYS 43 165.967 -5.342 6.600 369 1HB LYS 43 HB2 LYS 43 164.659 -6.865 5.127 370 2HB LYS 43 HB1 LYS 43 164.660 -8.060 6.414 371 1HG LYS 43 HG2 LYS 43 163.675 -5.398 7.180 372 2HG LYS 43 HG1 LYS 43 162.690 -6.263 5.997 373 1HD LYS 43 HD2 LYS 43 163.578 -7.340 8.672 374 2HD LYS 43 HD1 LYS 43 161.966 -6.728 8.294 375 1HE LYS 43 HE2 LYS 43 162.235 -8.534 6.328 376 2HE LYS 43 HE1 LYS 43 163.254 -9.285 7.555 377 1HZ LYS 43 HZ1 LYS 43 160.925 -8.455 8.824 378 2HZ LYS 43 HZ2 LYS 43 161.422 -10.041 8.511 379 3HZ LYS 43 HZ3 LYS 43 160.442 -9.226 7.398 380 H GLU 44 HN GLU 44 166.113 -4.745 8.648 381 HA GLU 44 HA GLU 44 166.421 -6.823 10.709 382 1HB GLU 44 HB2 GLU 44 167.850 -4.404 10.226 383 2HB GLU 44 HB1 GLU 44 167.004 -4.233 11.754 384 1HG GLU 44 HG2 GLU 44 168.016 -6.343 12.521 385 2HG GLU 44 HG1 GLU 44 168.917 -6.433 11.010 386 HA PRO 45 HA PRO 45 162.410 -6.317 12.491 387 1HB PRO 45 HB2 PRO 45 163.738 -5.583 15.006 388 2HB PRO 45 HB1 PRO 45 162.681 -6.945 14.657 389 1HG PRO 45 HG2 PRO 45 165.551 -6.898 14.786 390 2HG PRO 45 HG1 PRO 45 164.489 -8.284 14.501 391 1HD PRO 45 HD2 PRO 45 166.222 -7.214 12.634 392 2HD PRO 45 HD1 PRO 45 164.789 -8.185 12.241 393 H GLN 46 HN GLN 46 164.825 -3.984 13.684 394 HA GLN 46 HA GLN 46 162.759 -1.913 13.702 395 1HB GLN 46 HB2 GLN 46 164.447 -2.547 15.642 396 2HB GLN 46 HB1 GLN 46 165.497 -1.434 14.772 397 1HG GLN 46 HG2 GLN 46 164.525 0.213 15.888 398 2HG GLN 46 HG1 GLN 46 163.068 -0.102 14.948 399 1HE2 GLN 46 HE21 GLN 46 162.146 -2.414 15.943 400 2HE2 GLN 46 HE22 GLN 46 161.747 -2.250 17.617 401 H GLY 47 HN GLY 47 163.752 -2.680 11.150 402 1HA GLY 47 HA2 GLY 47 163.939 -0.821 9.492 403 2HA GLY 47 HA1 GLY 47 165.312 -0.270 10.432 404 H PHE 48 HN PHE 48 165.727 -0.558 7.834 405 HA PHE 48 HA PHE 48 166.605 -3.166 7.055 406 1HB PHE 48 HB2 PHE 48 166.960 -0.411 5.891 407 2HB PHE 48 HB1 PHE 48 167.783 -1.802 5.205 408 HD1 PHE 48 HD1 PHE 48 165.281 -3.660 5.877 409 HD2 PHE 48 HD2 PHE 48 165.842 0.010 3.803 410 HE1 PHE 48 HE1 PHE 48 163.303 -4.140 4.499 411 HE2 PHE 48 HE2 PHE 48 163.867 -0.459 2.421 412 HZ PHE 48 HZ PHE 48 162.589 -2.539 2.770 413 H VAL 49 HN VAL 49 168.798 -3.752 6.549 414 HA VAL 49 HA VAL 49 170.744 -2.544 8.399 415 HB VAL 49 HB VAL 49 170.921 -5.311 7.225 416 1HG1 VAL 49 HG11 VAL 49 172.826 -3.836 8.459 417 2HG1 VAL 49 HG12 VAL 49 172.760 -5.599 8.489 418 3HG1 VAL 49 HG13 VAL 49 172.105 -4.669 9.837 419 1HG2 VAL 49 HG21 VAL 49 169.952 -6.190 9.235 420 2HG2 VAL 49 HG22 VAL 49 168.834 -5.017 8.537 421 3HG2 VAL 49 HG23 VAL 49 169.823 -4.573 9.926 422 H ALA 50 HN ALA 50 171.145 -0.950 6.676 423 HA ALA 50 HA ALA 50 172.285 -1.742 4.188 424 1HB ALA 50 HB1 ALA 50 171.359 0.632 5.266 425 2HB ALA 50 HB2 ALA 50 172.117 0.427 3.688 426 3HB ALA 50 HB3 ALA 50 173.092 0.903 5.078 427 H ASP 51 HN ASP 51 173.844 -3.314 4.973 428 HA ASP 51 HA ASP 51 176.169 -2.216 6.355 429 1HB ASP 51 HB2 ASP 51 174.912 -4.807 6.206 430 2HB ASP 51 HB1 ASP 51 176.614 -4.935 5.779 431 H ALA 52 HN ALA 52 176.884 -0.917 4.575 432 HA ALA 52 HA ALA 52 177.953 -2.408 2.288 433 1HB ALA 52 HB1 ALA 52 178.413 0.297 1.841 434 2HB ALA 52 HB2 ALA 52 176.836 0.234 2.629 435 3HB ALA 52 HB3 ALA 52 177.122 -0.686 1.152 436 H THR 53 HN THR 53 179.929 -3.160 2.653 437 HA THR 53 HA THR 53 181.856 -1.484 4.111 438 HB THR 53 HB THR 53 182.154 -4.426 3.533 439 HG1 THR 53 HG1 THR 53 181.293 -4.740 5.640 440 1HG2 THR 53 HG21 THR 53 183.721 -2.485 4.955 441 2HG2 THR 53 HG22 THR 53 184.092 -4.160 4.551 442 3HG2 THR 53 HG23 THR 53 183.202 -3.786 6.025 443 H ILE 54 HN ILE 54 183.407 -0.540 2.978 444 HA ILE 54 HA ILE 54 184.044 -1.602 0.305 445 HB ILE 54 HB ILE 54 184.760 1.183 1.118 446 1HG1 ILE 54 HG12 ILE 54 182.011 0.127 0.565 447 2HG1 ILE 54 HG11 ILE 54 182.522 1.345 1.725 448 1HG2 ILE 54 HG21 ILE 54 185.529 0.153 -1.019 449 2HG2 ILE 54 HG22 ILE 54 184.583 1.627 -1.226 450 3HG2 ILE 54 HG23 ILE 54 183.841 0.055 -1.521 451 1HD1 ILE 54 HD11 ILE 54 181.572 2.756 0.275 452 2HD1 ILE 54 HD12 ILE 54 181.692 1.620 -1.069 453 3HD1 ILE 54 HD13 ILE 54 183.091 2.590 -0.606 454 H ASN 55 HN ASN 55 186.145 -1.968 -0.282 455 HA ASN 55 HA ASN 55 188.057 -2.149 1.896 456 1HB ASN 55 HB2 ASN 55 187.848 -4.083 0.461 457 2HB ASN 55 HB1 ASN 55 188.162 -3.107 -0.969 458 1HD2 ASN 55 HD21 ASN 55 189.832 -2.959 2.129 459 2HD2 ASN 55 HD22 ASN 55 191.371 -3.457 1.527 460 H THR 56 HN THR 56 188.833 -0.156 2.341 461 HA THR 56 HA THR 56 189.862 1.520 0.184 462 HB THR 56 HB THR 56 189.887 3.290 1.711 463 HG1 THR 56 HG1 THR 56 189.753 1.465 3.870 464 1HG2 THR 56 HG21 THR 56 187.712 1.573 2.869 465 2HG2 THR 56 HG22 THR 56 187.571 2.477 1.362 466 3HG2 THR 56 HG23 THR 56 187.815 3.335 2.883 467 HA PRO 57 HA PRO 57 194.128 0.499 0.610 468 1HB PRO 57 HB2 PRO 57 195.313 2.980 0.881 469 2HB PRO 57 HB1 PRO 57 194.823 2.261 -0.656 470 1HG PRO 57 HG2 PRO 57 193.391 4.264 1.042 471 2HG PRO 57 HG1 PRO 57 193.561 4.206 -0.723 472 1HD PRO 57 HD2 PRO 57 191.301 3.430 0.477 473 2HD PRO 57 HD1 PRO 57 191.920 2.575 -0.949 474 H ASN 58 HN ASN 58 192.665 2.551 3.020 475 HA ASN 58 HA ASN 58 194.770 1.828 4.942 476 1HB ASN 58 HB2 ASN 58 193.030 4.190 4.604 477 2HB ASN 58 HB1 ASN 58 193.260 3.658 6.266 478 1HD2 ASN 58 HD21 ASN 58 194.196 6.051 4.790 479 2HD2 ASN 58 HD22 ASN 58 195.908 6.081 5.019 480 H GLY 59 HN GLY 59 192.627 0.037 4.068 481 1HA GLY 59 HA2 GLY 59 191.863 -1.658 5.692 482 2HA GLY 59 HA1 GLY 59 191.271 -0.324 6.670 483 H VAL 60 HN VAL 60 189.328 -1.848 6.457 484 HA VAL 60 HA VAL 60 187.802 -1.152 4.030 485 HB VAL 60 HB VAL 60 187.036 -3.418 5.842 486 1HG1 VAL 60 HG11 VAL 60 186.673 -3.042 2.876 487 2HG1 VAL 60 HG12 VAL 60 185.487 -2.566 4.088 488 3HG1 VAL 60 HG13 VAL 60 185.923 -4.264 3.899 489 1HG2 VAL 60 HG21 VAL 60 189.042 -4.353 5.404 490 2HG2 VAL 60 HG22 VAL 60 189.346 -3.308 4.016 491 3HG2 VAL 60 HG23 VAL 60 188.304 -4.720 3.846 492 H LEU 61 HN LEU 61 186.407 0.443 4.402 493 HA LEU 61 HA LEU 61 185.450 1.033 7.053 494 1HB LEU 61 HB2 LEU 61 184.511 2.269 4.472 495 2HB LEU 61 HB1 LEU 61 184.417 2.952 6.085 496 HG LEU 61 HG LEU 61 186.988 2.454 4.582 497 1HD1 LEU 61 HD11 LEU 61 187.006 5.007 4.567 498 2HD1 LEU 61 HD12 LEU 61 185.277 4.897 4.899 499 3HD1 LEU 61 HD13 LEU 61 185.938 4.193 3.424 500 1HD2 LEU 61 HD21 LEU 61 188.122 3.175 6.393 501 2HD2 LEU 61 HD22 LEU 61 186.695 2.603 7.256 502 3HD2 LEU 61 HD23 LEU 61 186.860 4.315 6.863 503 H VAL 62 HN VAL 62 183.955 -0.255 7.903 504 HA VAL 62 HA VAL 62 181.881 -1.422 6.218 505 HB VAL 62 HB VAL 62 183.045 -2.903 7.764 506 1HG1 VAL 62 HG11 VAL 62 182.855 -0.770 9.550 507 2HG1 VAL 62 HG12 VAL 62 183.529 -2.367 9.863 508 3HG1 VAL 62 HG13 VAL 62 181.836 -2.038 10.230 509 1HG2 VAL 62 HG21 VAL 62 180.328 -2.762 7.357 510 2HG2 VAL 62 HG22 VAL 62 180.461 -2.922 9.109 511 3HG2 VAL 62 HG23 VAL 62 181.199 -4.128 8.055 512 H ALA 63 HN ALA 63 180.326 0.105 5.837 513 HA ALA 63 HA ALA 63 179.284 1.667 8.071 514 1HB ALA 63 HB1 ALA 63 179.390 3.165 6.411 515 2HB ALA 63 HB2 ALA 63 177.832 2.481 5.948 516 3HB ALA 63 HB3 ALA 63 179.306 1.936 5.151 517 H SER 64 HN SER 64 177.705 0.754 9.243 518 HA SER 64 HA SER 64 175.753 -0.964 7.867 519 1HB SER 64 HB2 SER 64 175.904 -0.920 10.840 520 2HB SER 64 HB1 SER 64 175.571 -2.263 9.746 521 HG SER 64 HG SER 64 177.886 -2.008 9.142 522 H GLY 65 HN GLY 65 174.051 0.225 7.281 523 1HA GLY 65 HA2 GLY 65 173.104 2.371 9.026 524 2HA GLY 65 HA1 GLY 65 172.581 2.067 7.375 525 H LYS 66 HN LYS 66 171.422 2.174 10.346 526 HA LYS 66 HA LYS 66 169.574 -0.076 9.915 527 1HB LYS 66 HB2 LYS 66 170.338 -0.827 11.890 528 2HB LYS 66 HB1 LYS 66 171.124 0.700 12.260 529 1HG LYS 66 HG2 LYS 66 169.091 1.598 13.159 530 2HG LYS 66 HG1 LYS 66 168.179 0.184 12.628 531 1HD LYS 66 HD2 LYS 66 169.644 -1.202 14.118 532 2HD LYS 66 HD1 LYS 66 170.318 0.302 14.749 533 1HE LYS 66 HE2 LYS 66 167.434 -0.572 14.869 534 2HE LYS 66 HE1 LYS 66 168.567 -0.500 16.217 535 1HZ LYS 66 HZ1 LYS 66 168.553 2.015 15.034 536 2HZ LYS 66 HZ2 LYS 66 167.925 1.580 16.544 537 3HZ LYS 66 HZ3 LYS 66 166.933 1.548 15.176 538 H HIS 67 HN HIS 67 167.628 0.636 9.298 539 HA HIS 67 HA HIS 67 166.125 2.443 10.849 540 1HB HIS 67 HB2 HIS 67 167.910 3.769 9.175 541 2HB HIS 67 HB1 HIS 67 166.369 3.862 8.327 542 HD1 HIS 67 HD1 HIS 67 167.686 4.530 11.838 543 HD2 HIS 67 HD2 HIS 67 164.839 5.932 9.157 544 HE1 HIS 67 HE1 HIS 67 166.637 6.523 12.955 545 HE2 HIS 67 HE2 HIS 67 164.872 7.318 11.341 546 H GLU 68 HN GLU 68 163.984 2.543 10.264 547 HA GLU 68 HA GLU 68 162.976 0.446 8.687 548 1HB GLU 68 HB2 GLU 68 161.783 1.559 10.585 549 2HB GLU 68 HB1 GLU 68 161.506 2.941 9.536 550 1HG GLU 68 HG2 GLU 68 159.532 1.823 9.303 551 2HG GLU 68 HG1 GLU 68 160.448 1.153 7.954 552 H ASP 69 HN ASP 69 163.359 3.900 8.030 553 HA ASP 69 HA ASP 69 162.150 3.774 5.447 554 1HB ASP 69 HB2 ASP 69 163.615 5.807 7.035 555 2HB ASP 69 HB1 ASP 69 163.661 6.003 5.284 556 H MET 70 HN MET 70 163.017 3.120 3.578 557 HA MET 70 HA MET 70 165.491 1.837 3.488 558 1HB MET 70 HB2 MET 70 165.038 1.357 1.268 559 2HB MET 70 HB1 MET 70 163.439 1.609 1.942 560 1HG MET 70 HG2 MET 70 164.900 3.825 0.556 561 2HG MET 70 HG1 MET 70 163.982 2.624 -0.339 562 1HE MET 70 HE1 MET 70 160.377 3.399 0.234 563 2HE MET 70 HE2 MET 70 161.489 2.030 0.265 564 3HE MET 70 HE3 MET 70 161.559 3.194 -1.059 565 H TYR 71 HN TYR 71 164.594 5.051 2.245 566 HA TYR 71 HA TYR 71 167.140 5.662 1.225 567 1HB TYR 71 HB2 TYR 71 164.752 7.296 1.987 568 2HB TYR 71 HB1 TYR 71 166.269 8.114 1.636 569 HD1 TYR 71 HD1 TYR 71 163.677 8.432 0.100 570 HD2 TYR 71 HD2 TYR 71 167.014 5.862 -0.504 571 HE1 TYR 71 HE1 TYR 71 163.173 8.342 -2.305 572 HE2 TYR 71 HE2 TYR 71 166.519 5.761 -2.902 573 HH TYR 71 HH TYR 71 164.563 6.086 -4.397 574 H THR 72 HN THR 72 165.763 5.979 4.437 575 HA THR 72 HA THR 72 167.841 7.604 5.497 576 HB THR 72 HB THR 72 166.255 5.624 7.121 577 HG1 THR 72 HG1 THR 72 164.714 7.417 7.276 578 1HG2 THR 72 HG21 THR 72 167.463 6.661 8.701 579 2HG2 THR 72 HG22 THR 72 166.241 7.918 8.517 580 3HG2 THR 72 HG23 THR 72 167.790 8.066 7.686 581 H ALA 73 HN ALA 73 167.425 4.176 4.992 582 HA ALA 73 HA ALA 73 169.531 3.238 6.608 583 1HB ALA 73 HB1 ALA 73 167.845 1.731 5.727 584 2HB ALA 73 HB2 ALA 73 169.445 1.218 5.195 585 3HB ALA 73 HB3 ALA 73 168.375 2.065 4.078 586 H ILE 74 HN ILE 74 169.402 4.151 3.181 587 HA ILE 74 HA ILE 74 172.176 3.682 2.720 588 HB ILE 74 HB ILE 74 171.266 5.694 0.906 589 1HG1 ILE 74 HG12 ILE 74 168.979 4.729 1.729 590 2HG1 ILE 74 HG11 ILE 74 169.268 4.930 0.011 591 1HG2 ILE 74 HG21 ILE 74 172.254 2.923 0.843 592 2HG2 ILE 74 HG22 ILE 74 172.799 4.350 -0.037 593 3HG2 ILE 74 HG23 ILE 74 171.372 3.470 -0.583 594 1HD1 ILE 74 HD11 ILE 74 169.995 2.308 1.135 595 2HD1 ILE 74 HD12 ILE 74 169.227 2.724 -0.397 596 3HD1 ILE 74 HD13 ILE 74 168.275 2.697 1.084 597 H ASN 75 HN ASN 75 170.411 6.197 4.218 598 HA ASN 75 HA ASN 75 172.335 8.280 3.781 599 1HB ASN 75 HB2 ASN 75 169.813 7.961 5.307 600 2HB ASN 75 HB1 ASN 75 170.951 9.156 5.926 601 1HD2 ASN 75 HD21 ASN 75 169.559 8.104 2.836 602 2HD2 ASN 75 HD22 ASN 75 169.315 9.696 2.212 603 H GLU 76 HN GLU 76 171.708 5.863 6.249 604 HA GLU 76 HA GLU 76 173.603 6.928 8.121 605 1HB GLU 76 HB2 GLU 76 171.598 5.507 8.705 606 2HB GLU 76 HB1 GLU 76 172.483 4.130 8.061 607 1HG GLU 76 HG2 GLU 76 172.990 3.937 10.269 608 2HG GLU 76 HG1 GLU 76 174.335 4.942 9.729 609 H LEU 77 HN LEU 77 173.684 4.564 5.533 610 HA LEU 77 HA LEU 77 176.220 3.482 6.299 611 1HB LEU 77 HB2 LEU 77 175.523 1.852 4.970 612 2HB LEU 77 HB1 LEU 77 174.163 2.825 4.465 613 HG LEU 77 HG LEU 77 175.395 1.922 2.561 614 1HD1 LEU 77 HD11 LEU 77 176.137 4.658 2.094 615 2HD1 LEU 77 HD12 LEU 77 174.584 4.549 2.920 616 3HD1 LEU 77 HD13 LEU 77 174.828 3.705 1.393 617 1HD2 LEU 77 HD21 LEU 77 177.717 3.693 2.919 618 2HD2 LEU 77 HD22 LEU 77 177.612 2.077 2.231 619 3HD2 LEU 77 HD23 LEU 77 177.653 2.287 3.979 620 H ILE 78 HN ILE 78 175.141 6.035 4.133 621 HA ILE 78 HA ILE 78 177.679 6.382 2.871 622 HB ILE 78 HB ILE 78 175.732 7.163 1.700 623 1HG1 ILE 78 HG12 ILE 78 176.445 9.397 1.082 624 2HG1 ILE 78 HG11 ILE 78 177.312 9.582 2.604 625 1HG2 ILE 78 HG21 ILE 78 175.237 9.406 3.582 626 2HG2 ILE 78 HG22 ILE 78 174.621 7.811 4.002 627 3HG2 ILE 78 HG23 ILE 78 174.127 8.575 2.494 628 1HD1 ILE 78 HD11 ILE 78 177.988 7.663 0.386 629 2HD1 ILE 78 HD12 ILE 78 178.836 7.780 1.928 630 3HD1 ILE 78 HD13 ILE 78 178.855 9.140 0.807 631 H ASN 79 HN ASN 79 175.988 8.301 5.390 632 HA ASN 79 HA ASN 79 178.111 10.089 5.805 633 1HB ASN 79 HB2 ASN 79 177.019 10.575 7.995 634 2HB ASN 79 HB1 ASN 79 175.911 10.639 6.627 635 1HD2 ASN 79 HD21 ASN 79 175.013 10.373 9.211 636 2HD2 ASN 79 HD22 ASN 79 174.321 8.804 9.416 637 H LYS 80 HN LYS 80 177.400 6.936 7.235 638 HA LYS 80 HA LYS 80 179.284 6.989 9.302 639 1HB LYS 80 HB2 LYS 80 177.640 5.230 9.210 640 2HB LYS 80 HB1 LYS 80 178.253 4.673 7.659 641 1HG LYS 80 HG2 LYS 80 179.867 3.451 8.603 642 2HG LYS 80 HG1 LYS 80 180.276 4.715 9.763 643 1HD LYS 80 HD2 LYS 80 177.880 3.927 10.725 644 2HD LYS 80 HD1 LYS 80 178.455 2.412 10.028 645 1HE LYS 80 HE2 LYS 80 180.394 3.947 11.646 646 2HE LYS 80 HE1 LYS 80 179.053 3.208 12.518 647 1HZ LYS 80 HZ1 LYS 80 179.885 1.171 12.217 648 2HZ LYS 80 HZ2 LYS 80 181.343 1.953 11.864 649 3HZ LYS 80 HZ3 LYS 80 180.322 1.460 10.608 650 H LEU 81 HN LEU 81 179.652 5.506 6.069 651 HA LEU 81 HA LEU 81 182.296 4.781 6.173 652 1HB LEU 81 HB2 LEU 81 180.655 5.880 3.898 653 2HB LEU 81 HB1 LEU 81 182.315 5.368 3.668 654 HG LEU 81 HG LEU 81 179.966 3.663 4.461 655 1HD1 LEU 81 HD11 LEU 81 181.853 3.361 2.143 656 2HD1 LEU 81 HD12 LEU 81 180.351 4.281 2.047 657 3HD1 LEU 81 HD13 LEU 81 180.306 2.554 2.404 658 1HD2 LEU 81 HD21 LEU 81 181.415 2.430 5.635 659 2HD2 LEU 81 HD22 LEU 81 182.809 3.282 4.973 660 3HD2 LEU 81 HD23 LEU 81 182.078 1.957 4.071 661 H GLU 82 HN GLU 82 180.962 7.975 5.389 662 HA GLU 82 HA GLU 82 183.277 9.303 4.663 663 1HB GLU 82 HB2 GLU 82 180.643 10.087 5.738 664 2HB GLU 82 HB1 GLU 82 181.928 11.263 5.978 665 1HG GLU 82 HG2 GLU 82 181.972 11.837 3.823 666 2HG GLU 82 HG1 GLU 82 181.832 10.167 3.276 667 H ARG 83 HN ARG 83 181.796 9.823 7.863 668 HA ARG 83 HA ARG 83 183.989 10.897 9.120 669 1HB ARG 83 HB2 ARG 83 181.475 10.276 9.911 670 2HB ARG 83 HB1 ARG 83 182.385 9.053 10.786 671 1HG ARG 83 HG2 ARG 83 182.585 10.628 12.355 672 2HG ARG 83 HG1 ARG 83 183.847 11.283 11.308 673 1HD ARG 83 HD2 ARG 83 182.432 12.914 10.424 674 2HD ARG 83 HD1 ARG 83 180.977 12.067 10.946 675 HE ARG 83 HE ARG 83 182.654 12.935 13.114 676 1HH1 ARG 83 HH11 ARG 83 180.088 13.851 10.934 677 2HH1 ARG 83 HH12 ARG 83 179.461 15.075 11.986 678 1HH2 ARG 83 HH21 ARG 83 181.830 14.545 14.501 679 2HH2 ARG 83 HH22 ARG 83 180.451 15.470 14.012 680 H GLN 84 HN GLN 84 183.192 7.513 8.629 681 HA GLN 84 HA GLN 84 185.249 6.422 10.244 682 1HB GLN 84 HB2 GLN 84 183.098 5.363 9.085 683 2HB GLN 84 HB1 GLN 84 184.271 4.958 7.841 684 1HG GLN 84 HG2 GLN 84 185.650 4.002 9.816 685 2HG GLN 84 HG1 GLN 84 184.105 4.012 10.665 686 1HE2 GLN 84 HE21 GLN 84 182.525 3.468 8.316 687 2HE2 GLN 84 HE22 GLN 84 182.797 1.817 7.896 688 H LEU 85 HN LEU 85 185.130 7.633 6.982 689 HA LEU 85 HA LEU 85 187.562 6.425 6.104 690 1HB LEU 85 HB2 LEU 85 185.588 7.374 4.716 691 2HB LEU 85 HB1 LEU 85 186.401 8.916 4.910 692 HG LEU 85 HG LEU 85 188.078 6.689 3.926 693 1HD1 LEU 85 HD11 LEU 85 186.606 6.064 2.363 694 2HD1 LEU 85 HD12 LEU 85 187.026 7.587 1.579 695 3HD1 LEU 85 HD13 LEU 85 185.595 7.488 2.602 696 1HD2 LEU 85 HD21 LEU 85 188.033 9.157 2.415 697 2HD2 LEU 85 HD22 LEU 85 189.366 8.382 3.273 698 3HD2 LEU 85 HD23 LEU 85 188.265 9.452 4.139 699 H ASN 86 HN ASN 86 186.804 9.872 6.690 700 HA ASN 86 HA ASN 86 189.347 10.878 6.578 701 1HB ASN 86 HB2 ASN 86 188.412 12.481 8.509 702 2HB ASN 86 HB1 ASN 86 187.897 12.611 6.831 703 1HD2 ASN 86 HD21 ASN 86 185.864 11.934 6.249 704 2HD2 ASN 86 HD22 ASN 86 184.626 11.614 7.404 705 H LYS 87 HN LYS 87 187.768 9.429 9.396 706 HA LYS 87 HA LYS 87 189.804 9.908 11.259 707 1HB LYS 87 HB2 LYS 87 187.484 9.126 11.780 708 2HB LYS 87 HB1 LYS 87 187.938 7.532 11.193 709 1HG LYS 87 HG2 LYS 87 189.614 8.769 13.311 710 2HG LYS 87 HG1 LYS 87 188.020 8.157 13.756 711 1HD LYS 87 HD2 LYS 87 190.226 6.594 12.411 712 2HD LYS 87 HD1 LYS 87 189.721 6.449 14.095 713 1HE LYS 87 HE2 LYS 87 188.281 5.602 11.608 714 2HE LYS 87 HE1 LYS 87 188.658 4.661 13.049 715 1HZ LYS 87 HZ1 LYS 87 186.489 6.582 12.599 716 2HZ LYS 87 HZ2 LYS 87 187.096 6.407 14.168 717 3HZ LYS 87 HZ3 LYS 87 186.448 5.070 13.360 718 H LEU 88 HN LEU 88 189.075 6.759 9.756 719 HA LEU 88 HA LEU 88 191.480 5.533 10.445 720 1HB LEU 88 HB2 LEU 88 189.166 4.751 9.219 721 2HB LEU 88 HB1 LEU 88 190.311 4.658 7.895 722 HG LEU 88 HG LEU 88 190.627 3.256 10.550 723 1HD1 LEU 88 HD11 LEU 88 190.210 1.771 8.026 724 2HD1 LEU 88 HD12 LEU 88 188.804 2.575 8.724 725 3HD1 LEU 88 HD13 LEU 88 189.699 1.386 9.671 726 1HD2 LEU 88 HD21 LEU 88 192.301 1.969 8.969 727 2HD2 LEU 88 HD22 LEU 88 192.786 3.433 9.825 728 3HD2 LEU 88 HD23 LEU 88 192.328 3.518 8.125 729 H GLN 89 HN GLN 89 190.684 7.618 7.758 730 HA GLN 89 HA GLN 89 192.985 7.015 6.188 731 1HB GLN 89 HB2 GLN 89 190.963 7.998 5.204 732 2HB GLN 89 HB1 GLN 89 191.200 9.458 6.156 733 1HG GLN 89 HG2 GLN 89 191.926 9.753 3.849 734 2HG GLN 89 HG1 GLN 89 193.266 9.922 4.981 735 1HE2 GLN 89 HE21 GLN 89 191.647 7.214 3.348 736 2HE2 GLN 89 HE22 GLN 89 193.095 6.494 2.738 737 H HIS 90 HN HIS 90 192.202 9.503 8.573 738 HA HIS 90 HA HIS 90 194.711 10.868 8.273 739 1HB HIS 90 HB2 HIS 90 192.662 12.040 8.983 740 2HB HIS 90 HB1 HIS 90 192.631 11.080 10.460 741 HD1 HIS 90 HD1 HIS 90 195.043 13.466 8.725 742 HD2 HIS 90 HD2 HIS 90 193.828 12.330 12.533 743 HE1 HIS 90 HE1 HIS 90 196.287 14.975 10.307 744 HE2 HIS 90 HE2 HIS 90 195.608 14.205 12.607 745 H LYS 91 HN LYS 91 195.461 8.328 8.642 746 HA LYS 91 HA LYS 91 196.720 8.401 11.275 747 1HB LYS 91 HB2 LYS 91 195.275 5.979 10.180 748 2HB LYS 91 HB1 LYS 91 196.267 5.995 11.630 749 1HG LYS 91 HG2 LYS 91 194.241 8.045 11.741 750 2HG LYS 91 HG1 LYS 91 193.530 6.458 11.454 751 1HD LYS 91 HD2 LYS 91 195.532 7.018 13.635 752 2HD LYS 91 HD1 LYS 91 193.785 7.099 13.871 753 1HE LYS 91 HE2 LYS 91 194.223 4.648 12.621 754 2HE LYS 91 HE1 LYS 91 195.535 4.798 13.790 755 1HZ LYS 91 HZ1 LYS 91 193.403 5.593 15.224 756 2HZ LYS 91 HZ2 LYS 91 194.026 4.021 15.224 757 3HZ LYS 91 HZ3 LYS 91 192.711 4.408 14.234 758 H GLY 92 HN GLY 92 196.471 6.478 8.279 759 1HA GLY 92 HA2 GLY 92 198.083 5.539 6.944 760 2HA GLY 92 HA1 GLY 92 199.063 6.928 7.386 761 H GLU 93 HN GLU 93 198.291 3.598 8.126 762 HA GLU 93 HA GLU 93 200.908 3.325 9.388 763 1HB GLU 93 HB2 GLU 93 199.695 1.786 11.120 764 2HB GLU 93 HB1 GLU 93 199.763 3.522 11.382 765 1HG GLU 93 HG2 GLU 93 197.545 3.784 11.132 766 2HG GLU 93 HG1 GLU 93 197.432 2.557 9.871 767 H ALA 94 HN ALA 94 201.573 2.152 7.594 768 HA ALA 94 HA ALA 94 200.107 -0.082 6.586 769 1HB ALA 94 HB1 ALA 94 201.781 -0.304 5.014 770 2HB ALA 94 HB2 ALA 94 203.038 0.255 6.118 771 3HB ALA 94 HB3 ALA 94 201.900 1.409 5.418 772 H ARG 95 HN ARG 95 202.032 -2.053 6.273 773 HA ARG 95 HA ARG 95 202.838 -2.811 8.981 774 1HB ARG 95 HB2 ARG 95 200.652 -3.988 7.486 775 2HB ARG 95 HB1 ARG 95 201.882 -5.187 7.856 776 1HG ARG 95 HG2 ARG 95 201.372 -3.587 10.175 777 2HG ARG 95 HG1 ARG 95 199.855 -4.220 9.534 778 1HD ARG 95 HD2 ARG 95 200.555 -5.895 10.980 779 2HD ARG 95 HD1 ARG 95 201.106 -6.470 9.407 780 HE ARG 95 HE ARG 95 203.244 -6.341 10.176 781 1HH1 ARG 95 HH11 ARG 95 201.244 -4.288 12.166 782 2HH1 ARG 95 HH12 ARG 95 202.520 -3.905 13.273 783 1HH2 ARG 95 HH21 ARG 95 204.925 -5.839 11.631 784 2HH2 ARG 95 HH22 ARG 95 204.610 -4.786 12.970 785 H ARG 96 HN ARG 96 202.831 -3.787 5.560 786 HA ARG 96 HA ARG 96 205.123 -5.437 5.761 787 1HB ARG 96 HB2 ARG 96 203.505 -5.677 3.942 788 2HB ARG 96 HB1 ARG 96 203.918 -4.076 3.346 789 1HG ARG 96 HG2 ARG 96 206.213 -4.857 2.910 790 2HG ARG 96 HG1 ARG 96 205.738 -6.473 3.439 791 1HD ARG 96 HD2 ARG 96 204.523 -4.953 1.134 792 2HD ARG 96 HD1 ARG 96 205.706 -6.253 0.992 793 HE ARG 96 HE ARG 96 202.895 -6.522 1.449 794 1HH1 ARG 96 HH11 ARG 96 206.002 -8.015 1.990 795 2HH1 ARG 96 HH12 ARG 96 205.349 -9.610 2.148 796 1HH2 ARG 96 HH21 ARG 96 202.033 -8.619 1.657 797 2HH2 ARG 96 HH22 ARG 96 203.094 -9.954 1.959 798 H ALA 97 HN ALA 97 206.905 -4.489 6.620 799 HA ALA 97 HA ALA 97 207.759 -1.850 5.914 800 1HB ALA 97 HB1 ALA 97 208.297 -2.669 8.097 801 2HB ALA 97 HB2 ALA 97 209.804 -2.455 7.210 802 3HB ALA 97 HB3 ALA 97 209.129 -4.071 7.423 803 H ALA 98 HN ALA 98 208.858 -5.129 5.117 804 HA ALA 98 HA ALA 98 210.248 -5.933 3.501 805 1HB ALA 98 HB1 ALA 98 209.733 -3.690 1.662 806 2HB ALA 98 HB2 ALA 98 208.307 -4.529 2.270 807 3HB ALA 98 HB3 ALA 98 209.560 -5.427 1.414 808 H THR 99 HN THR 99 211.866 -4.862 1.609 809 HA THR 99 HA THR 99 214.067 -3.944 3.133 810 HB THR 99 HB THR 99 214.582 -5.214 1.207 811 HG1 THR 99 HG1 THR 99 216.064 -3.574 1.417 812 1HG2 THR 99 HG21 THR 99 212.710 -5.045 -0.190 813 2HG2 THR 99 HG22 THR 99 214.041 -4.333 -1.101 814 3HG2 THR 99 HG23 THR 99 212.855 -3.293 -0.312 815 H SER 100 HN SER 100 215.325 -1.952 2.553 816 HA SER 100 HA SER 100 213.624 0.336 2.863 817 1HB SER 100 HB2 SER 100 215.584 1.550 3.323 818 2HB SER 100 HB1 SER 100 215.944 -0.069 3.921 819 HG SER 100 HG SER 100 216.997 1.306 1.748 820 H VAL 101 HN VAL 101 214.929 -1.303 0.181 821 HA VAL 101 HA VAL 101 215.204 0.957 -1.554 822 HB VAL 101 HB VAL 101 215.570 -0.612 -3.328 823 1HG1 VAL 101 HG11 VAL 101 217.320 -0.292 -1.538 824 2HG1 VAL 101 HG12 VAL 101 217.470 -1.761 -2.504 825 3HG1 VAL 101 HG13 VAL 101 216.801 -1.840 -0.874 826 1HG2 VAL 101 HG21 VAL 101 213.870 -2.316 -1.746 827 2HG2 VAL 101 HG22 VAL 101 215.365 -3.153 -2.167 828 3HG2 VAL 101 HG23 VAL 101 214.348 -2.469 -3.437 829 H LYS 102 HN LYS 102 212.601 -1.159 -0.641 830 HA LYS 102 HA LYS 102 210.922 -0.304 -2.854 831 1HB LYS 102 HB2 LYS 102 210.386 -2.137 -0.511 832 2HB LYS 102 HB1 LYS 102 209.212 -1.773 -1.769 833 1HG LYS 102 HG2 LYS 102 211.820 -2.731 -2.726 834 2HG LYS 102 HG1 LYS 102 210.873 -3.896 -1.800 835 1HD LYS 102 HD2 LYS 102 209.886 -2.356 -4.200 836 2HD LYS 102 HD1 LYS 102 210.420 -4.038 -4.214 837 1HE LYS 102 HE2 LYS 102 208.349 -4.656 -3.700 838 2HE LYS 102 HE1 LYS 102 208.521 -3.831 -2.151 839 1HZ LYS 102 HZ1 LYS 102 206.638 -3.210 -3.877 840 2HZ LYS 102 HZ2 LYS 102 207.849 -2.189 -4.469 841 3HZ LYS 102 HZ3 LYS 102 207.340 -2.052 -2.862 842 H ASP 103 HN ASP 103 210.131 -0.537 0.602 843 HA ASP 103 HA ASP 103 208.318 1.651 0.461 844 1HB ASP 103 HB2 ASP 103 208.298 -0.370 2.071 845 2HB ASP 103 HB1 ASP 103 209.455 0.555 3.024 846 H ALA 104 HN ALA 104 209.166 3.605 -0.003 847 HA ALA 104 HA ALA 104 211.636 4.491 1.231 848 1HB ALA 104 HB1 ALA 104 210.708 6.676 -0.076 849 2HB ALA 104 HB2 ALA 104 209.927 5.384 -0.988 850 3HB ALA 104 HB3 ALA 104 211.682 5.410 -0.822 851 H ASN 105 HN ASN 105 210.996 4.527 3.432 852 HA ASN 105 HA ASN 105 208.791 6.083 4.344 853 1HB ASN 105 HB2 ASN 105 211.175 5.283 6.008 854 2HB ASN 105 HB1 ASN 105 209.521 5.565 6.543 855 1HD2 ASN 105 HD21 ASN 105 211.766 3.265 5.654 856 2HD2 ASN 105 HD22 ASN 105 210.703 1.920 5.452 857 H PHE 106 HN PHE 106 212.216 6.700 3.866 858 HA PHE 106 HA PHE 106 212.116 9.269 5.155 859 1HB PHE 106 HB2 PHE 106 214.248 7.881 3.541 860 2HB PHE 106 HB1 PHE 106 214.454 9.494 4.213 861 HD1 PHE 106 HD1 PHE 106 215.542 9.660 6.219 862 HD2 PHE 106 HD2 PHE 106 213.387 6.097 5.338 863 HE1 PHE 106 HE1 PHE 106 216.302 8.678 8.344 864 HE2 PHE 106 HE2 PHE 106 214.143 5.110 7.461 865 HZ PHE 106 HZ PHE 106 215.603 6.401 8.966 866 H VAL 107 HN VAL 107 212.029 8.017 1.936 867 HA VAL 107 HA VAL 107 211.763 10.734 0.847 868 HB VAL 107 HB VAL 107 211.841 8.810 -1.258 869 1HG1 VAL 107 HG11 VAL 107 212.664 11.296 -0.943 870 2HG1 VAL 107 HG12 VAL 107 213.402 10.224 -2.133 871 3HG1 VAL 107 HG13 VAL 107 214.192 10.495 -0.579 872 1HG2 VAL 107 HG21 VAL 107 214.170 7.946 -0.840 873 2HG2 VAL 107 HG22 VAL 107 212.901 7.210 0.139 874 3HG2 VAL 107 HG23 VAL 107 213.964 8.428 0.843 875 H GLU 108 HN GLU 108 210.435 10.231 -1.495 876 HA GLU 108 HA GLU 108 207.755 9.583 -0.512 877 1HB GLU 108 HB2 GLU 108 206.910 10.872 -2.357 878 2HB GLU 108 HB1 GLU 108 208.178 11.805 -1.577 879 1HG GLU 108 HG2 GLU 108 209.750 11.007 -3.335 880 2HG GLU 108 HG1 GLU 108 208.374 10.269 -4.153 881 H GLU 109 HN GLU 109 206.539 9.078 -2.990 882 HA GLU 109 HA GLU 109 207.051 6.307 -3.272 883 1HB GLU 109 HB2 GLU 109 204.833 7.296 -3.654 884 2HB GLU 109 HB1 GLU 109 205.455 8.153 -5.058 885 1HG GLU 109 HG2 GLU 109 204.511 6.379 -6.101 886 2HG GLU 109 HG1 GLU 109 206.114 5.708 -5.809 887 H VAL 110 HN VAL 110 208.433 5.250 -4.540 888 HA VAL 110 HA VAL 110 209.718 6.735 -6.740 889 HB VAL 110 HB VAL 110 211.023 4.498 -5.197 890 1HG1 VAL 110 HG11 VAL 110 212.023 4.784 -7.323 891 2HG1 VAL 110 HG12 VAL 110 213.086 5.582 -6.164 892 3HG1 VAL 110 HG13 VAL 110 212.004 6.541 -7.176 893 1HG2 VAL 110 HG21 VAL 110 212.371 6.721 -4.424 894 2HG2 VAL 110 HG22 VAL 110 211.096 5.951 -3.480 895 3HG2 VAL 110 HG23 VAL 110 210.720 7.337 -4.504 896 H GLU 111 HN GLU 111 208.427 5.989 -8.391 897 HA GLU 111 HA GLU 111 207.993 3.131 -8.706 898 1HB GLU 111 HB2 GLU 111 206.746 3.886 -10.787 899 2HB GLU 111 HB1 GLU 111 206.093 4.431 -9.248 900 1HG GLU 111 HG2 GLU 111 208.022 6.241 -10.541 901 2HG GLU 111 HG1 GLU 111 206.477 6.032 -11.365 902 H GLU 112 HN GLU 112 210.211 2.532 -9.011 903 HA GLU 112 HA GLU 112 211.501 3.461 -11.457 904 1HB GLU 112 HB2 GLU 112 213.470 2.293 -10.665 905 2HB GLU 112 HB1 GLU 112 212.822 3.295 -9.373 906 1HG GLU 112 HG2 GLU 112 211.703 0.643 -9.279 907 2HG GLU 112 HG1 GLU 112 213.465 0.592 -9.255 908 H GLU 113 HN GLU 113 209.355 2.207 -12.273 909 HA GLU 113 HA GLU 113 209.922 -0.614 -12.697 910 1HB GLU 113 HB2 GLU 113 207.713 -0.814 -13.534 911 2HB GLU 113 HB1 GLU 113 207.614 0.254 -12.143 912 1HG GLU 113 HG2 GLU 113 207.828 1.332 -14.932 913 2HG GLU 113 HG1 GLU 113 206.281 0.860 -14.235 Start of MODEL 8 1 1H MET 1 HT1 MET 1 186.167 1.225 -4.869 2 2H MET 1 HT2 MET 1 185.851 -0.409 -5.290 3 3H MET 1 HT3 MET 1 184.550 0.664 -4.972 4 HA MET 1 HA MET 1 185.379 2.024 -6.857 5 1HB MET 1 HB2 MET 1 187.567 0.522 -6.693 6 2HB MET 1 HB1 MET 1 186.672 -0.488 -7.823 7 1HG MET 1 HG2 MET 1 186.492 2.202 -8.707 8 2HG MET 1 HG1 MET 1 188.180 1.853 -8.341 9 1HE MET 1 HE1 MET 1 185.265 1.619 -10.290 10 2HE MET 1 HE2 MET 1 185.242 0.042 -11.080 11 3HE MET 1 HE3 MET 1 186.002 1.418 -11.880 12 H THR 2 HN THR 2 185.041 -1.523 -7.147 13 HA THR 2 HA THR 2 183.059 -1.352 -9.170 14 HB THR 2 HB THR 2 184.524 -3.322 -8.863 15 HG1 THR 2 HG1 THR 2 182.879 -4.865 -9.173 16 1HG2 THR 2 HG21 THR 2 184.218 -3.265 -6.288 17 2HG2 THR 2 HG22 THR 2 184.401 -4.809 -7.119 18 3HG2 THR 2 HG23 THR 2 182.801 -4.259 -6.621 19 H MET 3 HN MET 3 181.226 -3.386 -8.048 20 HA MET 3 HA MET 3 179.900 -1.926 -5.896 21 1HB MET 3 HB2 MET 3 179.003 -1.018 -8.017 22 2HB MET 3 HB1 MET 3 178.507 -2.638 -8.483 23 1HG MET 3 HG2 MET 3 176.845 -2.729 -6.853 24 2HG MET 3 HG1 MET 3 177.538 -1.390 -5.941 25 1HE MET 3 HE1 MET 3 176.906 1.490 -6.918 26 2HE MET 3 HE2 MET 3 176.443 0.365 -5.640 27 3HE MET 3 HE3 MET 3 175.202 1.152 -6.615 28 H ASN 4 HN ASN 4 180.099 -3.581 -4.453 29 HA ASN 4 HA ASN 4 179.053 -6.216 -5.223 30 1HB ASN 4 HB2 ASN 4 181.152 -5.304 -3.385 31 2HB ASN 4 HB1 ASN 4 180.092 -6.525 -2.693 32 1HD2 ASN 4 HD21 ASN 4 181.713 -8.063 -2.660 33 2HD2 ASN 4 HD22 ASN 4 182.291 -8.828 -4.098 34 H ILE 5 HN ILE 5 177.036 -6.692 -4.643 35 HA ILE 5 HA ILE 5 175.994 -5.607 -2.118 36 HB ILE 5 HB ILE 5 174.294 -5.786 -4.597 37 1HG1 ILE 5 HG12 ILE 5 175.684 -3.345 -3.466 38 2HG1 ILE 5 HG11 ILE 5 176.095 -4.149 -4.978 39 1HG2 ILE 5 HG21 ILE 5 173.753 -4.018 -2.263 40 2HG2 ILE 5 HG22 ILE 5 173.428 -5.746 -2.120 41 3HG2 ILE 5 HG23 ILE 5 172.628 -4.797 -3.373 42 1HD1 ILE 5 HD11 ILE 5 173.362 -3.572 -5.138 43 2HD1 ILE 5 HD12 ILE 5 174.685 -2.792 -6.005 44 3HD1 ILE 5 HD13 ILE 5 174.131 -2.134 -4.466 45 H THR 6 HN THR 6 175.609 -7.310 -0.865 46 HA THR 6 HA THR 6 174.237 -9.630 -2.050 47 HB THR 6 HB THR 6 176.570 -10.227 -1.650 48 HG1 THR 6 HG1 THR 6 174.785 -11.711 -1.123 49 1HG2 THR 6 HG21 THR 6 177.745 -9.896 0.241 50 2HG2 THR 6 HG22 THR 6 176.331 -10.057 1.282 51 3HG2 THR 6 HG23 THR 6 176.624 -8.545 0.421 52 H SER 7 HN SER 7 172.213 -9.213 -1.310 53 HA SER 7 HA SER 7 171.774 -8.431 1.446 54 1HB SER 7 HB2 SER 7 169.981 -8.826 -0.935 55 2HB SER 7 HB1 SER 7 169.315 -8.623 0.686 56 HG SER 7 HG SER 7 169.474 -6.582 0.095 57 H LYS 8 HN LYS 8 170.625 -9.638 2.984 58 HA LYS 8 HA LYS 8 171.150 -12.432 2.933 59 1HB LYS 8 HB2 LYS 8 171.181 -11.164 5.019 60 2HB LYS 8 HB1 LYS 8 169.472 -10.793 4.843 61 1HG LYS 8 HG2 LYS 8 168.883 -13.100 5.136 62 2HG LYS 8 HG1 LYS 8 170.581 -13.576 5.130 63 1HD LYS 8 HD2 LYS 8 170.133 -11.540 7.109 64 2HD LYS 8 HD1 LYS 8 168.997 -12.869 7.343 65 1HE LYS 8 HE2 LYS 8 171.765 -13.683 6.785 66 2HE LYS 8 HE1 LYS 8 171.537 -12.818 8.305 67 1HZ LYS 8 HZ1 LYS 8 169.486 -14.699 8.075 68 2HZ LYS 8 HZ2 LYS 8 170.763 -14.680 9.183 69 3HZ LYS 8 HZ3 LYS 8 170.935 -15.494 7.711 70 H GLN 9 HN GLN 9 167.977 -10.989 3.628 71 HA GLN 9 HA GLN 9 166.778 -12.887 1.728 72 1HB GLN 9 HB2 GLN 9 164.838 -12.973 3.444 73 2HB GLN 9 HB1 GLN 9 166.276 -13.942 3.739 74 1HG GLN 9 HG2 GLN 9 165.838 -13.006 5.804 75 2HG GLN 9 HG1 GLN 9 167.076 -11.941 5.143 76 1HE2 GLN 9 HE21 GLN 9 166.693 -9.882 5.469 77 2HE2 GLN 9 HE22 GLN 9 165.141 -9.130 5.568 78 H MET 10 HN MET 10 167.308 -10.345 0.968 79 HA MET 10 HA MET 10 164.734 -9.366 0.269 80 1HB MET 10 HB2 MET 10 164.808 -8.457 2.538 81 2HB MET 10 HB1 MET 10 166.356 -7.696 2.197 82 1HG MET 10 HG2 MET 10 164.490 -6.112 2.119 83 2HG MET 10 HG1 MET 10 165.334 -6.236 0.578 84 1HE MET 10 HE1 MET 10 162.073 -6.092 2.313 85 2HE MET 10 HE2 MET 10 161.030 -6.107 0.892 86 3HE MET 10 HE3 MET 10 162.356 -4.950 1.000 87 H GLU 11 HN GLU 11 165.241 -9.136 -1.826 88 HA GLU 11 HA GLU 11 167.719 -8.487 -2.894 89 1HB GLU 11 HB2 GLU 11 166.412 -7.838 -4.954 90 2HB GLU 11 HB1 GLU 11 166.086 -9.448 -4.326 91 1HG GLU 11 HG2 GLU 11 163.940 -8.904 -4.466 92 2HG GLU 11 HG1 GLU 11 164.219 -7.906 -3.038 93 H ILE 12 HN ILE 12 167.877 -6.458 -4.462 94 HA ILE 12 HA ILE 12 167.772 -4.147 -2.690 95 HB ILE 12 HB ILE 12 168.901 -3.947 -5.442 96 1HG1 ILE 12 HG12 ILE 12 169.794 -6.087 -4.731 97 2HG1 ILE 12 HG11 ILE 12 171.066 -4.876 -4.614 98 1HG2 ILE 12 HG21 ILE 12 168.828 -2.029 -3.887 99 2HG2 ILE 12 HG22 ILE 12 170.467 -2.463 -4.370 100 3HG2 ILE 12 HG23 ILE 12 169.867 -2.924 -2.777 101 1HD1 ILE 12 HD11 ILE 12 169.424 -5.934 -2.325 102 2HD1 ILE 12 HD12 ILE 12 170.706 -4.726 -2.209 103 3HD1 ILE 12 HD13 ILE 12 171.089 -6.375 -2.706 104 H THR 13 HN THR 13 166.295 -2.597 -2.843 105 HA THR 13 HA THR 13 164.276 -2.727 -4.891 106 HB THR 13 HB THR 13 163.105 -1.093 -3.642 107 HG1 THR 13 HG1 THR 13 164.268 0.539 -3.036 108 1HG2 THR 13 HG21 THR 13 162.773 -2.155 -1.696 109 2HG2 THR 13 HG22 THR 13 164.486 -2.149 -1.276 110 3HG2 THR 13 HG23 THR 13 163.857 -3.356 -2.398 111 HA PRO 14 HA PRO 14 165.750 0.117 -7.902 112 1HB PRO 14 HB2 PRO 14 163.558 1.850 -8.060 113 2HB PRO 14 HB1 PRO 14 163.775 0.365 -8.990 114 1HG PRO 14 HG2 PRO 14 162.197 0.834 -6.504 115 2HG PRO 14 HG1 PRO 14 161.837 -0.217 -7.884 116 1HD PRO 14 HD2 PRO 14 162.724 -1.222 -5.568 117 2HD PRO 14 HD1 PRO 14 163.243 -1.904 -7.124 118 H ALA 15 HN ALA 15 164.136 1.553 -5.094 119 HA ALA 15 HA ALA 15 165.303 4.120 -5.347 120 1HB ALA 15 HB1 ALA 15 163.254 3.554 -4.020 121 2HB ALA 15 HB2 ALA 15 164.427 4.567 -3.178 122 3HB ALA 15 HB3 ALA 15 164.317 2.847 -2.803 123 H ILE 16 HN ILE 16 166.065 1.420 -3.145 124 HA ILE 16 HA ILE 16 168.317 2.569 -1.958 125 HB ILE 16 HB ILE 16 167.781 -0.367 -2.434 126 1HG1 ILE 16 HG12 ILE 16 167.134 1.378 -0.049 127 2HG1 ILE 16 HG11 ILE 16 165.964 0.824 -1.240 128 1HG2 ILE 16 HG21 ILE 16 170.117 0.114 -1.835 129 2HG2 ILE 16 HG22 ILE 16 169.274 -0.764 -0.558 130 3HG2 ILE 16 HG23 ILE 16 169.562 0.969 -0.395 131 1HD1 ILE 16 HD11 ILE 16 165.683 -1.070 -0.139 132 2HD1 ILE 16 HD12 ILE 16 166.748 -0.448 1.122 133 3HD1 ILE 16 HD13 ILE 16 167.411 -1.411 -0.199 134 H ARG 17 HN ARG 17 168.190 0.206 -4.629 135 HA ARG 17 HA ARG 17 170.895 0.050 -5.158 136 1HB ARG 17 HB2 ARG 17 169.707 -1.508 -6.347 137 2HB ARG 17 HB1 ARG 17 168.422 -0.385 -6.755 138 1HG ARG 17 HG2 ARG 17 171.123 -0.048 -7.981 139 2HG ARG 17 HG1 ARG 17 170.021 -1.281 -8.598 140 1HD ARG 17 HD2 ARG 17 168.434 0.977 -8.357 141 2HD ARG 17 HD1 ARG 17 169.973 1.603 -8.945 142 HE ARG 17 HE ARG 17 168.110 -0.062 -10.378 143 1HH1 ARG 17 HH11 ARG 17 171.414 1.044 -10.168 144 2HH1 ARG 17 HH12 ARG 17 171.766 0.698 -11.827 145 1HH2 ARG 17 HH21 ARG 17 168.573 -0.522 -12.561 146 2HH2 ARG 17 HH22 ARG 17 170.154 -0.191 -13.185 147 H GLN 18 HN GLN 18 168.575 2.489 -6.206 148 HA GLN 18 HA GLN 18 170.444 3.833 -7.922 149 1HB GLN 18 HB2 GLN 18 167.823 3.817 -7.970 150 2HB GLN 18 HB1 GLN 18 167.988 5.162 -6.850 151 1HG GLN 18 HG2 GLN 18 167.909 6.291 -8.823 152 2HG GLN 18 HG1 GLN 18 169.649 6.053 -8.679 153 1HE2 GLN 18 HE21 GLN 18 170.593 4.267 -9.852 154 2HE2 GLN 18 HE22 GLN 18 169.875 3.749 -11.335 155 H HIS 19 HN HIS 19 169.108 4.424 -4.687 156 HA HIS 19 HA HIS 19 170.319 6.894 -4.199 157 1HB HIS 19 HB2 HIS 19 168.678 5.160 -2.793 158 2HB HIS 19 HB1 HIS 19 170.152 5.192 -1.830 159 HD1 HIS 19 HD1 HIS 19 168.025 7.857 -3.548 160 HD2 HIS 19 HD2 HIS 19 169.961 7.110 0.050 161 HE1 HIS 19 HE1 HIS 19 167.560 9.863 -2.101 162 HE2 HIS 19 HE2 HIS 19 168.830 9.434 0.029 163 H VAL 20 HN VAL 20 171.466 3.616 -3.476 164 HA VAL 20 HA VAL 20 173.898 4.437 -2.273 165 HB VAL 20 HB VAL 20 173.297 1.782 -3.582 166 1HG1 VAL 20 HG11 VAL 20 174.935 1.194 -1.552 167 2HG1 VAL 20 HG12 VAL 20 175.513 2.819 -1.922 168 3HG1 VAL 20 HG13 VAL 20 175.515 1.575 -3.172 169 1HG2 VAL 20 HG21 VAL 20 171.682 2.633 -1.769 170 2HG2 VAL 20 HG22 VAL 20 173.020 2.364 -0.655 171 3HG2 VAL 20 HG23 VAL 20 172.365 1.018 -1.586 172 H ALA 21 HN ALA 21 173.158 3.172 -5.519 173 HA ALA 21 HA ALA 21 175.713 3.187 -6.584 174 1HB ALA 21 HB1 ALA 21 173.260 3.926 -8.162 175 2HB ALA 21 HB2 ALA 21 173.593 2.280 -7.624 176 3HB ALA 21 HB3 ALA 21 174.710 3.092 -8.721 177 H ASP 22 HN ASP 22 173.481 5.852 -6.120 178 HA ASP 22 HA ASP 22 174.879 7.728 -7.737 179 1HB ASP 22 HB2 ASP 22 172.452 7.850 -6.904 180 2HB ASP 22 HB1 ASP 22 173.129 8.453 -5.394 181 H ARG 23 HN ARG 23 174.566 7.630 -4.176 182 HA ARG 23 HA ARG 23 176.662 9.444 -3.705 183 1HB ARG 23 HB2 ARG 23 175.454 7.328 -1.922 184 2HB ARG 23 HB1 ARG 23 176.605 8.535 -1.368 185 1HG ARG 23 HG2 ARG 23 173.828 8.999 -2.424 186 2HG ARG 23 HG1 ARG 23 174.428 9.288 -0.790 187 1HD ARG 23 HD2 ARG 23 174.938 10.835 -3.300 188 2HD ARG 23 HD1 ARG 23 174.403 11.414 -1.724 189 HE ARG 23 HE ARG 23 177.096 11.100 -2.610 190 1HH1 ARG 23 HH11 ARG 23 175.045 10.987 0.210 191 2HH1 ARG 23 HH12 ARG 23 176.326 11.367 1.312 192 1HH2 ARG 23 HH21 ARG 23 178.783 11.598 -1.164 193 2HH2 ARG 23 HH22 ARG 23 178.448 11.717 0.532 194 H LEU 24 HN LEU 24 176.598 5.908 -3.790 195 HA LEU 24 HA LEU 24 179.209 5.428 -2.923 196 1HB LEU 24 HB2 LEU 24 177.426 3.712 -3.221 197 2HB LEU 24 HB1 LEU 24 177.653 3.830 -4.955 198 HG LEU 24 HG LEU 24 179.870 2.928 -4.804 199 1HD1 LEU 24 HD11 LEU 24 180.744 3.909 -2.845 200 2HD1 LEU 24 HD12 LEU 24 180.728 2.171 -2.548 201 3HD1 LEU 24 HD13 LEU 24 179.485 3.199 -1.836 202 1HD2 LEU 24 HD21 LEU 24 178.190 1.248 -4.897 203 2HD2 LEU 24 HD22 LEU 24 177.852 1.403 -3.173 204 3HD2 LEU 24 HD23 LEU 24 179.386 0.720 -3.713 205 H ALA 25 HN ALA 25 177.954 6.279 -6.093 206 HA ALA 25 HA ALA 25 180.296 5.755 -7.573 207 1HB ALA 25 HB1 ALA 25 179.093 7.756 -8.976 208 2HB ALA 25 HB2 ALA 25 177.747 7.128 -8.026 209 3HB ALA 25 HB3 ALA 25 178.662 6.049 -9.081 210 H LYS 26 HN LYS 26 179.026 8.819 -6.254 211 HA LYS 26 HA LYS 26 181.271 10.357 -7.015 212 1HB LYS 26 HB2 LYS 26 180.167 12.119 -6.100 213 2HB LYS 26 HB1 LYS 26 178.818 10.995 -6.137 214 1HG LYS 26 HG2 LYS 26 178.667 11.816 -4.002 215 2HG LYS 26 HG1 LYS 26 179.644 10.369 -3.740 216 1HD LYS 26 HD2 LYS 26 181.475 11.558 -3.174 217 2HD LYS 26 HD1 LYS 26 181.169 12.798 -4.391 218 1HE LYS 26 HE2 LYS 26 180.451 14.149 -2.782 219 2HE LYS 26 HE1 LYS 26 179.122 13.034 -2.472 220 1HZ LYS 26 HZ1 LYS 26 180.821 11.785 -1.053 221 2HZ LYS 26 HZ2 LYS 26 180.192 13.228 -0.436 222 3HZ LYS 26 HZ3 LYS 26 181.740 13.205 -1.115 223 H LEU 27 HN LEU 27 180.616 8.340 -4.256 224 HA LEU 27 HA LEU 27 182.529 9.355 -2.473 225 1HB LEU 27 HB2 LEU 27 180.688 7.696 -1.982 226 2HB LEU 27 HB1 LEU 27 181.706 6.468 -2.711 227 HG LEU 27 HG LEU 27 182.741 8.126 -0.438 228 1HD1 LEU 27 HD11 LEU 27 180.766 5.895 -0.325 229 2HD1 LEU 27 HD12 LEU 27 180.854 7.372 0.634 230 3HD1 LEU 27 HD13 LEU 27 181.981 6.052 0.943 231 1HD2 LEU 27 HD21 LEU 27 183.736 6.013 -2.037 232 2HD2 LEU 27 HD22 LEU 27 183.487 5.374 -0.412 233 3HD2 LEU 27 HD23 LEU 27 184.502 6.795 -0.654 234 H GLU 28 HN GLU 28 182.819 7.276 -5.249 235 HA GLU 28 HA GLU 28 185.219 5.997 -4.781 236 1HB GLU 28 HB2 GLU 28 183.513 6.189 -6.898 237 2HB GLU 28 HB1 GLU 28 184.917 7.049 -7.514 238 1HG GLU 28 HG2 GLU 28 185.604 4.545 -6.203 239 2HG GLU 28 HG1 GLU 28 184.519 4.336 -7.577 240 H LYS 29 HN LYS 29 184.657 9.361 -5.350 241 HA LYS 29 HA LYS 29 187.482 9.853 -5.912 242 1HB LYS 29 HB2 LYS 29 185.370 10.977 -7.055 243 2HB LYS 29 HB1 LYS 29 185.498 12.066 -5.680 244 1HG LYS 29 HG2 LYS 29 188.068 11.637 -6.933 245 2HG LYS 29 HG1 LYS 29 186.872 12.238 -8.082 246 1HD LYS 29 HD2 LYS 29 186.385 13.833 -5.939 247 2HD LYS 29 HD1 LYS 29 188.122 13.568 -5.775 248 1HE LYS 29 HE2 LYS 29 188.169 14.135 -8.317 249 2HE LYS 29 HE1 LYS 29 186.600 14.872 -7.995 250 1HZ LYS 29 HZ1 LYS 29 187.648 16.243 -6.290 251 2HZ LYS 29 HZ2 LYS 29 188.368 16.491 -7.801 252 3HZ LYS 29 HZ3 LYS 29 189.153 15.550 -6.635 253 H TRP 30 HN TRP 30 186.865 8.891 -3.312 254 HA TRP 30 HA TRP 30 187.100 11.255 -1.598 255 1HB TRP 30 HB2 TRP 30 186.046 8.570 -1.251 256 2HB TRP 30 HB1 TRP 30 187.171 8.989 0.034 257 HD1 TRP 30 HD1 TRP 30 183.902 10.274 -1.562 258 HE1 TRP 30 HE1 TRP 30 182.615 11.620 0.214 259 HE3 TRP 30 HE3 TRP 30 187.384 10.212 2.179 260 HZ2 TRP 30 HZ2 TRP 30 183.023 12.535 2.852 261 HZ3 TRP 30 HZ3 TRP 30 186.859 11.350 4.296 262 HH2 TRP 30 HH2 TRP 30 184.723 12.489 4.623 263 H GLN 31 HN GLN 31 189.266 10.379 -3.361 264 HA GLN 31 HA GLN 31 191.504 9.945 -3.359 265 1HB GLN 31 HB2 GLN 31 191.186 11.384 -0.726 266 2HB GLN 31 HB1 GLN 31 192.741 11.049 -1.476 267 1HG GLN 31 HG2 GLN 31 190.964 12.317 -3.350 268 2HG GLN 31 HG1 GLN 31 191.103 13.270 -1.873 269 1HE2 GLN 31 HE21 GLN 31 193.310 11.306 -3.848 270 2HE2 GLN 31 HE22 GLN 31 194.541 12.512 -3.976 271 H THR 32 HN THR 32 189.653 7.958 -1.803 272 HA THR 32 HA THR 32 191.543 6.804 0.059 273 HB THR 32 HB THR 32 188.847 5.768 -0.837 274 HG1 THR 32 HG1 THR 32 188.098 6.690 1.049 275 1HG2 THR 32 HG21 THR 32 189.273 4.854 1.696 276 2HG2 THR 32 HG22 THR 32 190.870 4.690 0.963 277 3HG2 THR 32 HG23 THR 32 189.474 3.909 0.221 278 H HIS 33 HN HIS 33 189.682 4.693 -2.027 279 HA HIS 33 HA HIS 33 191.196 4.048 -4.123 280 1HB HIS 33 HB2 HIS 33 192.685 3.373 -1.696 281 2HB HIS 33 HB1 HIS 33 192.525 2.018 -2.808 282 HD1 HIS 33 HD1 HIS 33 193.027 3.031 -5.477 283 HD2 HIS 33 HD2 HIS 33 194.993 4.654 -2.197 284 HE1 HIS 33 HE1 HIS 33 195.082 4.141 -6.409 285 HE2 HIS 33 HE2 HIS 33 196.187 5.223 -4.421 286 H LEU 34 HN LEU 34 189.288 3.002 -1.495 287 HA LEU 34 HA LEU 34 188.608 0.554 -1.372 288 1HB LEU 34 HB2 LEU 34 186.402 2.201 -2.545 289 2HB LEU 34 HB1 LEU 34 186.331 1.017 -1.256 290 HG LEU 34 HG LEU 34 187.870 3.536 -0.805 291 1HD1 LEU 34 HD11 LEU 34 185.077 3.663 0.018 292 2HD1 LEU 34 HD12 LEU 34 185.319 3.721 -1.729 293 3HD1 LEU 34 HD13 LEU 34 186.119 4.898 -0.689 294 1HD2 LEU 34 HD21 LEU 34 187.388 1.346 0.720 295 2HD2 LEU 34 HD22 LEU 34 186.090 2.422 1.235 296 3HD2 LEU 34 HD23 LEU 34 187.768 2.947 1.353 297 H ILE 35 HN ILE 35 188.474 -1.236 -2.541 298 HA ILE 35 HA ILE 35 188.011 -0.966 -5.441 299 HB ILE 35 HB ILE 35 189.335 -3.340 -4.160 300 1HG1 ILE 35 HG12 ILE 35 190.767 -0.932 -5.299 301 2HG1 ILE 35 HG11 ILE 35 190.555 -1.218 -3.575 302 1HG2 ILE 35 HG21 ILE 35 189.858 -4.001 -6.275 303 2HG2 ILE 35 HG22 ILE 35 189.955 -2.349 -6.886 304 3HG2 ILE 35 HG23 ILE 35 188.381 -3.101 -6.624 305 1HD1 ILE 35 HD11 ILE 35 192.584 -2.158 -3.776 306 2HD1 ILE 35 HD12 ILE 35 192.378 -2.490 -5.497 307 3HD1 ILE 35 HD13 ILE 35 191.649 -3.559 -4.297 308 H ASN 36 HN ASN 36 187.346 -3.036 -2.630 309 HA ASN 36 HA ASN 36 185.104 -4.223 -4.125 310 1HB ASN 36 HB2 ASN 36 187.069 -5.624 -3.059 311 2HB ASN 36 HB1 ASN 36 186.130 -5.416 -1.584 312 1HD2 ASN 36 HD21 ASN 36 186.019 -7.774 -1.733 313 2HD2 ASN 36 HD22 ASN 36 184.764 -8.485 -2.684 314 HA PRO 37 HA PRO 37 182.942 -1.792 -0.912 315 1HB PRO 37 HB2 PRO 37 181.069 -0.711 -2.477 316 2HB PRO 37 HB1 PRO 37 182.726 -0.090 -2.477 317 1HG PRO 37 HG2 PRO 37 181.358 -1.856 -4.455 318 2HG PRO 37 HG1 PRO 37 182.526 -0.552 -4.729 319 1HD PRO 37 HD2 PRO 37 183.115 -3.279 -4.678 320 2HD PRO 37 HD1 PRO 37 184.293 -1.962 -4.522 321 H HIS 38 HN HIS 38 182.161 -3.653 0.140 322 HA HIS 38 HA HIS 38 180.060 -5.235 -1.027 323 1HB HIS 38 HB2 HIS 38 181.827 -5.428 1.241 324 2HB HIS 38 HB1 HIS 38 180.170 -5.743 1.742 325 HD1 HIS 38 HD1 HIS 38 183.032 -7.435 0.472 326 HD2 HIS 38 HD2 HIS 38 178.934 -7.776 -0.122 327 HE1 HIS 38 HE1 HIS 38 182.680 -9.732 -0.483 328 HE2 HIS 38 HE2 HIS 38 180.204 -9.886 -0.912 329 H ILE 39 HN ILE 39 177.904 -5.229 -0.536 330 HA ILE 39 HA ILE 39 176.907 -3.273 1.400 331 HB ILE 39 HB ILE 39 176.123 -3.359 -1.512 332 1HG1 ILE 39 HG12 ILE 39 178.092 -1.934 -0.484 333 2HG1 ILE 39 HG11 ILE 39 177.023 -1.247 -1.697 334 1HG2 ILE 39 HG21 ILE 39 174.693 -2.044 0.788 335 2HG2 ILE 39 HG22 ILE 39 174.061 -3.257 -0.323 336 3HG2 ILE 39 HG23 ILE 39 174.416 -1.630 -0.904 337 1HD1 ILE 39 HD11 ILE 39 176.034 0.174 -0.218 338 2HD1 ILE 39 HD12 ILE 39 177.643 0.059 0.495 339 3HD1 ILE 39 HD13 ILE 39 176.312 -0.888 1.162 340 H ILE 40 HN ILE 40 176.027 -4.756 2.757 341 HA ILE 40 HA ILE 40 174.275 -6.827 1.653 342 HB ILE 40 HB ILE 40 175.268 -6.472 4.486 343 1HG1 ILE 40 HG12 ILE 40 176.145 -8.740 2.780 344 2HG1 ILE 40 HG11 ILE 40 176.822 -7.158 2.403 345 1HG2 ILE 40 HG21 ILE 40 173.397 -7.741 4.804 346 2HG2 ILE 40 HG22 ILE 40 174.559 -9.015 4.428 347 3HG2 ILE 40 HG23 ILE 40 173.455 -8.431 3.182 348 1HD1 ILE 40 HD11 ILE 40 178.231 -8.478 3.919 349 2HD1 ILE 40 HD12 ILE 40 176.927 -8.474 5.106 350 3HD1 ILE 40 HD13 ILE 40 177.698 -6.958 4.636 351 H LEU 41 HN LEU 41 172.215 -6.195 1.385 352 HA LEU 41 HA LEU 41 171.037 -4.406 3.405 353 1HB LEU 41 HB2 LEU 41 170.988 -3.402 1.243 354 2HB LEU 41 HB1 LEU 41 170.374 -4.868 0.505 355 HG LEU 41 HG LEU 41 168.415 -4.260 2.350 356 1HD1 LEU 41 HD11 LEU 41 167.891 -1.873 1.876 357 2HD1 LEU 41 HD12 LEU 41 169.500 -1.710 1.173 358 3HD1 LEU 41 HD13 LEU 41 169.320 -2.112 2.880 359 1HD2 LEU 41 HD21 LEU 41 168.384 -3.247 -0.476 360 2HD2 LEU 41 HD22 LEU 41 167.050 -3.890 0.480 361 3HD2 LEU 41 HD23 LEU 41 168.319 -4.968 -0.101 362 H SER 42 HN SER 42 170.193 -5.753 4.915 363 HA SER 42 HA SER 42 168.348 -7.849 3.970 364 1HB SER 42 HB2 SER 42 169.772 -7.666 6.635 365 2HB SER 42 HB1 SER 42 168.731 -8.986 6.100 366 HG SER 42 HG SER 42 171.326 -8.322 5.306 367 H LYS 43 HN LYS 43 166.246 -7.796 4.599 368 HA LYS 43 HA LYS 43 165.273 -5.391 5.842 369 1HB LYS 43 HB2 LYS 43 164.120 -6.685 3.966 370 2HB LYS 43 HB1 LYS 43 163.640 -7.844 5.199 371 1HG LYS 43 HG2 LYS 43 162.666 -5.794 6.424 372 2HG LYS 43 HG1 LYS 43 162.797 -4.995 4.857 373 1HD LYS 43 HD2 LYS 43 160.810 -5.878 4.365 374 2HD LYS 43 HD1 LYS 43 161.622 -7.442 4.275 375 1HE LYS 43 HE2 LYS 43 161.031 -7.996 6.482 376 2HE LYS 43 HE1 LYS 43 160.600 -6.330 6.871 377 1HZ LYS 43 HZ1 LYS 43 158.702 -7.919 6.480 378 2HZ LYS 43 HZ2 LYS 43 159.132 -7.913 4.845 379 3HZ LYS 43 HZ3 LYS 43 158.649 -6.476 5.596 380 H GLU 44 HN GLU 44 165.406 -5.123 7.964 381 HA GLU 44 HA GLU 44 165.070 -7.454 9.714 382 1HB GLU 44 HB2 GLU 44 166.949 -5.400 9.714 383 2HB GLU 44 HB1 GLU 44 165.879 -5.008 11.051 384 1HG GLU 44 HG2 GLU 44 167.826 -6.375 11.708 385 2HG GLU 44 HG1 GLU 44 166.277 -7.131 12.079 386 HA PRO 45 HA PRO 45 160.973 -6.577 11.091 387 1HB PRO 45 HB2 PRO 45 162.035 -6.505 13.831 388 2HB PRO 45 HB1 PRO 45 160.843 -7.587 13.122 389 1HG PRO 45 HG2 PRO 45 163.615 -8.085 13.603 390 2HG PRO 45 HG1 PRO 45 162.421 -9.175 12.885 391 1HD PRO 45 HD2 PRO 45 164.593 -8.046 11.564 392 2HD PRO 45 HD1 PRO 45 163.164 -8.750 10.781 393 H GLN 46 HN GLN 46 163.522 -4.906 12.945 394 HA GLN 46 HA GLN 46 161.780 -2.566 13.148 395 1HB GLN 46 HB2 GLN 46 163.141 -3.804 15.077 396 2HB GLN 46 HB1 GLN 46 164.388 -2.675 14.560 397 1HG GLN 46 HG2 GLN 46 163.457 -1.138 15.841 398 2HG GLN 46 HG1 GLN 46 162.050 -1.161 14.782 399 1HE2 GLN 46 HE21 GLN 46 160.819 -3.448 15.285 400 2HE2 GLN 46 HE22 GLN 46 160.347 -3.568 16.942 401 H GLY 47 HN GLY 47 162.951 -2.987 10.607 402 1HA GLY 47 HA2 GLY 47 163.605 -0.917 9.379 403 2HA GLY 47 HA1 GLY 47 164.905 -0.768 10.547 404 H PHE 48 HN PHE 48 165.709 -0.605 8.099 405 HA PHE 48 HA PHE 48 166.369 -3.167 6.931 406 1HB PHE 48 HB2 PHE 48 166.667 -0.311 6.182 407 2HB PHE 48 HB1 PHE 48 167.873 -1.415 5.534 408 HD1 PHE 48 HD1 PHE 48 166.165 -3.830 5.119 409 HD2 PHE 48 HD2 PHE 48 165.464 0.285 4.299 410 HE1 PHE 48 HE1 PHE 48 164.610 -4.458 3.319 411 HE2 PHE 48 HE2 PHE 48 163.910 -0.332 2.500 412 HZ PHE 48 HZ PHE 48 163.477 -2.708 2.006 413 H VAL 49 HN VAL 49 168.379 -4.112 6.846 414 HA VAL 49 HA VAL 49 170.392 -3.017 8.696 415 HB VAL 49 HB VAL 49 169.887 -5.875 7.856 416 1HG1 VAL 49 HG11 VAL 49 171.696 -6.136 9.801 417 2HG1 VAL 49 HG12 VAL 49 172.237 -4.597 9.130 418 3HG1 VAL 49 HG13 VAL 49 172.140 -6.024 8.098 419 1HG2 VAL 49 HG21 VAL 49 168.804 -6.156 9.794 420 2HG2 VAL 49 HG22 VAL 49 168.672 -4.396 9.814 421 3HG2 VAL 49 HG23 VAL 49 169.975 -5.194 10.697 422 H ALA 50 HN ALA 50 171.004 -1.650 6.787 423 HA ALA 50 HA ALA 50 172.242 -2.936 4.536 424 1HB ALA 50 HB1 ALA 50 171.209 -0.803 4.180 425 2HB ALA 50 HB2 ALA 50 172.947 -0.620 3.937 426 3HB ALA 50 HB3 ALA 50 172.202 -0.058 5.432 427 H ASP 51 HN ASP 51 173.727 -4.294 5.763 428 HA ASP 51 HA ASP 51 175.920 -2.965 7.119 429 1HB ASP 51 HB2 ASP 51 174.960 -5.759 6.841 430 2HB ASP 51 HB1 ASP 51 176.693 -5.543 7.068 431 H ALA 52 HN ALA 52 177.082 -1.863 5.596 432 HA ALA 52 HA ALA 52 178.101 -3.359 3.288 433 1HB ALA 52 HB1 ALA 52 177.984 -1.463 2.131 434 2HB ALA 52 HB2 ALA 52 178.823 -0.551 3.382 435 3HB ALA 52 HB3 ALA 52 177.082 -0.800 3.492 436 H THR 53 HN THR 53 180.365 -3.054 2.682 437 HA THR 53 HA THR 53 182.227 -2.161 4.691 438 HB THR 53 HB THR 53 181.938 -4.294 5.651 439 HG1 THR 53 HG1 THR 53 184.161 -3.717 5.059 440 1HG2 THR 53 HG21 THR 53 180.762 -5.209 3.535 441 2HG2 THR 53 HG22 THR 53 181.637 -6.312 4.596 442 3HG2 THR 53 HG23 THR 53 182.379 -5.761 3.094 443 H ILE 54 HN ILE 54 183.698 -1.098 3.559 444 HA ILE 54 HA ILE 54 184.286 -1.978 0.819 445 HB ILE 54 HB ILE 54 185.542 0.526 1.422 446 1HG1 ILE 54 HG12 ILE 54 182.576 0.414 2.016 447 2HG1 ILE 54 HG11 ILE 54 183.852 0.834 3.153 448 1HG2 ILE 54 HG21 ILE 54 184.760 -0.500 -0.778 449 2HG2 ILE 54 HG22 ILE 54 184.496 1.229 -0.554 450 3HG2 ILE 54 HG23 ILE 54 183.158 0.101 -0.350 451 1HD1 ILE 54 HD11 ILE 54 182.555 2.760 2.234 452 2HD1 ILE 54 HD12 ILE 54 183.274 2.409 0.664 453 3HD1 ILE 54 HD13 ILE 54 184.302 2.867 2.022 454 H ASN 55 HN ASN 55 186.349 -2.405 0.130 455 HA ASN 55 HA ASN 55 188.303 -2.857 2.262 456 1HB ASN 55 HB2 ASN 55 187.567 -4.689 0.636 457 2HB ASN 55 HB1 ASN 55 188.516 -3.836 -0.579 458 1HD2 ASN 55 HD21 ASN 55 188.945 -4.748 2.826 459 2HD2 ASN 55 HD22 ASN 55 190.509 -5.450 2.617 460 H THR 56 HN THR 56 189.260 -0.867 2.545 461 HA THR 56 HA THR 56 190.395 0.498 0.227 462 HB THR 56 HB THR 56 190.150 2.385 1.410 463 HG1 THR 56 HG1 THR 56 191.740 2.657 2.715 464 1HG2 THR 56 HG21 THR 56 188.614 2.496 3.094 465 2HG2 THR 56 HG22 THR 56 189.197 1.028 3.879 466 3HG2 THR 56 HG23 THR 56 188.231 0.917 2.409 467 HA PRO 57 HA PRO 57 194.537 -0.903 0.811 468 1HB PRO 57 HB2 PRO 57 196.044 1.344 0.556 469 2HB PRO 57 HB1 PRO 57 195.238 0.564 -0.810 470 1HG PRO 57 HG2 PRO 57 194.374 2.942 0.793 471 2HG PRO 57 HG1 PRO 57 194.336 2.701 -0.964 472 1HD PRO 57 HD2 PRO 57 192.137 2.411 0.581 473 2HD PRO 57 HD1 PRO 57 192.408 1.432 -0.874 474 H ASN 58 HN ASN 58 193.439 1.714 2.835 475 HA ASN 58 HA ASN 58 195.566 1.204 4.782 476 1HB ASN 58 HB2 ASN 58 193.450 3.365 4.818 477 2HB ASN 58 HB1 ASN 58 194.872 3.266 5.852 478 1HD2 ASN 58 HD21 ASN 58 193.683 3.955 2.666 479 2HD2 ASN 58 HD22 ASN 58 195.115 4.715 2.072 480 H GLY 59 HN GLY 59 193.143 -0.541 4.203 481 1HA GLY 59 HA2 GLY 59 192.556 -1.992 6.185 482 2HA GLY 59 HA1 GLY 59 191.971 -0.503 6.914 483 H VAL 60 HN VAL 60 189.968 -1.791 7.102 484 HA VAL 60 HA VAL 60 188.403 -1.676 4.602 485 HB VAL 60 HB VAL 60 187.853 -3.563 6.890 486 1HG1 VAL 60 HG11 VAL 60 186.962 -4.021 4.094 487 2HG1 VAL 60 HG12 VAL 60 186.130 -2.787 5.041 488 3HG1 VAL 60 HG13 VAL 60 186.184 -4.454 5.616 489 1HG2 VAL 60 HG21 VAL 60 189.607 -3.888 4.491 490 2HG2 VAL 60 HG22 VAL 60 188.732 -5.276 5.137 491 3HG2 VAL 60 HG23 VAL 60 189.876 -4.403 6.156 492 H LEU 61 HN LEU 61 186.702 -0.358 4.627 493 HA LEU 61 HA LEU 61 185.859 0.791 7.186 494 1HB LEU 61 HB2 LEU 61 186.485 2.051 4.909 495 2HB LEU 61 HB1 LEU 61 184.776 1.795 4.611 496 HG LEU 61 HG LEU 61 184.205 3.008 6.644 497 1HD1 LEU 61 HD11 LEU 61 186.432 4.319 7.489 498 2HD1 LEU 61 HD12 LEU 61 187.075 2.714 7.144 499 3HD1 LEU 61 HD13 LEU 61 185.735 2.903 8.274 500 1HD2 LEU 61 HD21 LEU 61 184.908 4.105 4.338 501 2HD2 LEU 61 HD22 LEU 61 186.167 4.818 5.347 502 3HD2 LEU 61 HD23 LEU 61 184.468 5.082 5.739 503 H VAL 62 HN VAL 62 184.133 -0.042 8.147 504 HA VAL 62 HA VAL 62 182.203 -1.584 6.596 505 HB VAL 62 HB VAL 62 182.417 -1.208 9.587 506 1HG1 VAL 62 HG11 VAL 62 180.178 -1.774 9.141 507 2HG1 VAL 62 HG12 VAL 62 180.959 -3.297 9.564 508 3HG1 VAL 62 HG13 VAL 62 180.632 -2.915 7.874 509 1HG2 VAL 62 HG21 VAL 62 183.224 -3.589 9.498 510 2HG2 VAL 62 HG22 VAL 62 184.338 -2.391 8.840 511 3HG2 VAL 62 HG23 VAL 62 183.378 -3.394 7.753 512 H ALA 63 HN ALA 63 180.481 -0.591 5.788 513 HA ALA 63 HA ALA 63 179.523 1.889 6.992 514 1HB ALA 63 HB1 ALA 63 179.866 1.155 4.392 515 2HB ALA 63 HB2 ALA 63 178.841 2.480 4.944 516 3HB ALA 63 HB3 ALA 63 178.135 0.900 4.612 517 H SER 64 HN SER 64 178.130 1.594 8.636 518 HA SER 64 HA SER 64 176.215 -0.610 8.523 519 1HB SER 64 HB2 SER 64 176.346 1.272 10.840 520 2HB SER 64 HB1 SER 64 176.040 -0.465 10.818 521 HG SER 64 HG SER 64 178.528 0.840 10.420 522 H GLY 65 HN GLY 65 174.392 -0.186 7.459 523 1HA GLY 65 HA2 GLY 65 173.165 2.479 7.806 524 2HA GLY 65 HA1 GLY 65 172.977 1.489 6.367 525 H LYS 66 HN LYS 66 172.075 1.857 9.739 526 HA LYS 66 HA LYS 66 169.912 -0.095 9.329 527 1HB LYS 66 HB2 LYS 66 169.819 -0.244 11.800 528 2HB LYS 66 HB1 LYS 66 171.375 -0.729 11.144 529 1HG LYS 66 HG2 LYS 66 172.434 0.799 12.348 530 2HG LYS 66 HG1 LYS 66 171.379 2.080 11.748 531 1HD LYS 66 HD2 LYS 66 171.061 2.087 14.073 532 2HD LYS 66 HD1 LYS 66 169.664 1.217 13.435 533 1HE LYS 66 HE2 LYS 66 172.122 -0.270 14.274 534 2HE LYS 66 HE1 LYS 66 170.947 0.256 15.478 535 1HZ LYS 66 HZ1 LYS 66 169.374 -0.894 13.632 536 2HZ LYS 66 HZ2 LYS 66 169.967 -1.683 15.004 537 3HZ LYS 66 HZ3 LYS 66 170.759 -1.858 13.520 538 H HIS 67 HN HIS 67 167.890 0.643 9.193 539 HA HIS 67 HA HIS 67 166.782 2.630 10.825 540 1HB HIS 67 HB2 HIS 67 168.339 3.736 8.755 541 2HB HIS 67 HB1 HIS 67 166.662 3.964 8.271 542 HD1 HIS 67 HD1 HIS 67 165.789 4.264 11.414 543 HD2 HIS 67 HD2 HIS 67 168.582 6.491 9.291 544 HE1 HIS 67 HE1 HIS 67 165.980 6.451 12.644 545 HE2 HIS 67 HE2 HIS 67 167.615 7.814 11.293 546 H GLU 68 HN GLU 68 164.571 3.146 10.287 547 HA GLU 68 HA GLU 68 163.158 0.950 9.232 548 1HB GLU 68 HB2 GLU 68 162.216 2.446 10.934 549 2HB GLU 68 HB1 GLU 68 162.189 3.762 9.769 550 1HG GLU 68 HG2 GLU 68 159.984 2.794 10.043 551 2HG GLU 68 HG1 GLU 68 160.585 2.536 8.405 552 H ASP 69 HN ASP 69 163.831 4.170 7.915 553 HA ASP 69 HA ASP 69 162.512 3.534 5.417 554 1HB ASP 69 HB2 ASP 69 163.524 5.937 6.731 555 2HB ASP 69 HB1 ASP 69 163.925 5.889 5.016 556 H MET 70 HN MET 70 163.513 3.261 3.427 557 HA MET 70 HA MET 70 166.050 1.984 3.518 558 1HB MET 70 HB2 MET 70 165.708 1.414 1.283 559 2HB MET 70 HB1 MET 70 164.084 1.504 1.941 560 1HG MET 70 HG2 MET 70 165.335 3.809 0.483 561 2HG MET 70 HG1 MET 70 164.481 2.516 -0.351 562 1HE MET 70 HE1 MET 70 162.230 3.584 -1.328 563 2HE MET 70 HE2 MET 70 160.928 3.364 -0.159 564 3HE MET 70 HE3 MET 70 162.125 2.091 -0.397 565 H TYR 71 HN TYR 71 164.946 5.115 2.270 566 HA TYR 71 HA TYR 71 167.444 5.884 1.196 567 1HB TYR 71 HB2 TYR 71 164.891 7.252 1.832 568 2HB TYR 71 HB1 TYR 71 166.321 8.275 1.713 569 HD1 TYR 71 HD1 TYR 71 165.047 9.337 -0.210 570 HD2 TYR 71 HD2 TYR 71 166.448 5.318 -0.334 571 HE1 TYR 71 HE1 TYR 71 164.849 9.344 -2.662 572 HE2 TYR 71 HE2 TYR 71 166.258 5.317 -2.777 573 HH TYR 71 HH TYR 71 164.506 7.421 -4.488 574 H THR 72 HN THR 72 166.094 6.003 4.403 575 HA THR 72 HA THR 72 168.067 7.784 5.468 576 HB THR 72 HB THR 72 167.225 6.761 7.691 577 HG1 THR 72 HG1 THR 72 166.308 4.901 6.530 578 1HG2 THR 72 HG21 THR 72 166.435 8.930 6.670 579 2HG2 THR 72 HG22 THR 72 165.319 8.126 7.772 580 3HG2 THR 72 HG23 THR 72 165.068 8.018 6.030 581 H ALA 73 HN ALA 73 167.747 4.354 4.966 582 HA ALA 73 HA ALA 73 169.860 3.492 6.646 583 1HB ALA 73 HB1 ALA 73 167.986 2.103 5.557 584 2HB ALA 73 HB2 ALA 73 169.596 1.388 5.657 585 3HB ALA 73 HB3 ALA 73 169.028 2.069 4.135 586 H ILE 74 HN ILE 74 169.685 4.650 3.343 587 HA ILE 74 HA ILE 74 172.343 3.944 2.605 588 HB ILE 74 HB ILE 74 171.244 6.330 1.273 589 1HG1 ILE 74 HG12 ILE 74 169.144 5.090 1.762 590 2HG1 ILE 74 HG11 ILE 74 169.501 5.178 0.044 591 1HG2 ILE 74 HG21 ILE 74 172.927 5.528 0.026 592 2HG2 ILE 74 HG22 ILE 74 171.669 4.493 -0.649 593 3HG2 ILE 74 HG23 ILE 74 172.728 3.879 0.621 594 1HD1 ILE 74 HD11 ILE 74 169.567 2.830 1.869 595 2HD1 ILE 74 HD12 ILE 74 170.594 2.851 0.434 596 3HD1 ILE 74 HD13 ILE 74 168.844 3.001 0.268 597 H ASN 75 HN ASN 75 170.850 6.995 3.647 598 HA ASN 75 HA ASN 75 173.141 8.581 3.612 599 1HB ASN 75 HB2 ASN 75 170.593 8.715 5.206 600 2HB ASN 75 HB1 ASN 75 171.873 9.903 5.432 601 1HD2 ASN 75 HD21 ASN 75 169.218 8.956 3.564 602 2HD2 ASN 75 HD22 ASN 75 169.357 10.148 2.322 603 H GLU 76 HN GLU 76 171.884 6.425 6.102 604 HA GLU 76 HA GLU 76 173.655 7.184 8.159 605 1HB GLU 76 HB2 GLU 76 171.576 5.320 7.832 606 2HB GLU 76 HB1 GLU 76 172.988 4.375 8.285 607 1HG GLU 76 HG2 GLU 76 171.997 4.883 10.313 608 2HG GLU 76 HG1 GLU 76 173.281 6.084 10.172 609 H LEU 77 HN LEU 77 173.880 4.797 5.570 610 HA LEU 77 HA LEU 77 176.247 3.537 6.387 611 1HB LEU 77 HB2 LEU 77 175.302 2.328 4.720 612 2HB LEU 77 HB1 LEU 77 174.667 3.744 3.906 613 HG LEU 77 HG LEU 77 177.602 3.322 3.752 614 1HD1 LEU 77 HD11 LEU 77 176.149 1.108 3.355 615 2HD1 LEU 77 HD12 LEU 77 177.606 1.488 2.440 616 3HD1 LEU 77 HD13 LEU 77 176.018 1.838 1.755 617 1HD2 LEU 77 HD21 LEU 77 176.734 3.865 1.267 618 2HD2 LEU 77 HD22 LEU 77 177.095 5.107 2.466 619 3HD2 LEU 77 HD23 LEU 77 175.430 4.585 2.210 620 H ILE 78 HN ILE 78 175.754 6.296 4.191 621 HA ILE 78 HA ILE 78 178.493 6.715 3.638 622 HB ILE 78 HB ILE 78 176.783 7.631 2.185 623 1HG1 ILE 78 HG12 ILE 78 177.644 9.919 1.926 624 2HG1 ILE 78 HG11 ILE 78 178.350 9.842 3.536 625 1HG2 ILE 78 HG21 ILE 78 175.039 8.097 3.751 626 2HG2 ILE 78 HG22 ILE 78 175.446 9.596 2.918 627 3HG2 ILE 78 HG23 ILE 78 176.023 9.315 4.561 628 1HD1 ILE 78 HD11 ILE 78 179.751 7.938 2.736 629 2HD1 ILE 78 HD12 ILE 78 180.081 9.485 1.955 630 3HD1 ILE 78 HD13 ILE 78 179.139 8.254 1.112 631 H ASN 79 HN ASN 79 176.380 7.854 6.198 632 HA ASN 79 HA ASN 79 177.983 9.936 7.169 633 1HB ASN 79 HB2 ASN 79 176.177 10.175 8.467 634 2HB ASN 79 HB1 ASN 79 175.578 8.611 7.934 635 1HD2 ASN 79 HD21 ASN 79 175.563 6.952 9.324 636 2HD2 ASN 79 HD22 ASN 79 176.166 7.019 10.940 637 H LYS 80 HN LYS 80 177.742 6.575 8.356 638 HA LYS 80 HA LYS 80 179.801 6.742 10.233 639 1HB LYS 80 HB2 LYS 80 178.131 4.702 9.128 640 2HB LYS 80 HB1 LYS 80 179.785 4.109 9.159 641 1HG LYS 80 HG2 LYS 80 179.702 5.090 11.616 642 2HG LYS 80 HG1 LYS 80 177.975 4.808 11.398 643 1HD LYS 80 HD2 LYS 80 178.206 2.557 11.408 644 2HD LYS 80 HD1 LYS 80 179.754 2.609 10.561 645 1HE LYS 80 HE2 LYS 80 179.808 1.789 12.958 646 2HE LYS 80 HE1 LYS 80 180.938 3.078 12.543 647 1HZ LYS 80 HZ1 LYS 80 179.855 4.569 13.833 648 2HZ LYS 80 HZ2 LYS 80 179.400 3.175 14.677 649 3HZ LYS 80 HZ3 LYS 80 178.331 3.882 13.574 650 H LEU 81 HN LEU 81 179.901 5.684 6.844 651 HA LEU 81 HA LEU 81 182.617 5.012 6.760 652 1HB LEU 81 HB2 LEU 81 180.754 5.990 4.601 653 2HB LEU 81 HB1 LEU 81 182.386 5.429 4.286 654 HG LEU 81 HG LEU 81 180.209 3.751 5.531 655 1HD1 LEU 81 HD11 LEU 81 179.450 3.863 3.389 656 2HD1 LEU 81 HD12 LEU 81 180.631 2.567 3.200 657 3HD1 LEU 81 HD13 LEU 81 181.043 4.214 2.722 658 1HD2 LEU 81 HD21 LEU 81 181.868 1.922 4.828 659 2HD2 LEU 81 HD22 LEU 81 182.236 2.866 6.272 660 3HD2 LEU 81 HD23 LEU 81 183.055 3.223 4.751 661 H GLU 82 HN GLU 82 180.994 8.054 5.876 662 HA GLU 82 HA GLU 82 183.128 9.527 4.999 663 1HB GLU 82 HB2 GLU 82 180.521 10.124 6.176 664 2HB GLU 82 HB1 GLU 82 181.711 11.382 6.474 665 1HG GLU 82 HG2 GLU 82 182.075 10.831 3.816 666 2HG GLU 82 HG1 GLU 82 180.334 10.643 4.017 667 H ARG 83 HN ARG 83 181.915 9.877 8.341 668 HA ARG 83 HA ARG 83 184.067 11.230 9.385 669 1HB ARG 83 HB2 ARG 83 183.418 9.971 11.585 670 2HB ARG 83 HB1 ARG 83 182.301 11.116 10.858 671 1HG ARG 83 HG2 ARG 83 180.747 9.554 10.630 672 2HG ARG 83 HG1 ARG 83 181.863 8.491 9.778 673 1HD ARG 83 HD2 ARG 83 180.774 7.752 12.046 674 2HD ARG 83 HD1 ARG 83 182.450 7.352 11.679 675 HE ARG 83 HE ARG 83 183.057 8.602 13.480 676 1HH1 ARG 83 HH11 ARG 83 179.929 9.720 12.405 677 2HH1 ARG 83 HH12 ARG 83 179.758 10.864 13.693 678 1HH2 ARG 83 HH21 ARG 83 182.833 10.105 15.174 679 2HH2 ARG 83 HH22 ARG 83 181.406 11.083 15.265 680 H GLN 84 HN GLN 84 183.613 7.697 9.406 681 HA GLN 84 HA GLN 84 186.039 7.049 10.628 682 1HB GLN 84 HB2 GLN 84 184.154 5.570 8.834 683 2HB GLN 84 HB1 GLN 84 185.696 4.841 9.259 684 1HG GLN 84 HG2 GLN 84 185.007 4.315 11.306 685 2HG GLN 84 HG1 GLN 84 184.280 5.900 11.565 686 1HE2 GLN 84 HE21 GLN 84 183.606 3.380 9.170 687 2HE2 GLN 84 HE22 GLN 84 181.944 3.173 9.598 688 H LEU 85 HN LEU 85 185.375 8.135 7.425 689 HA LEU 85 HA LEU 85 187.757 7.072 6.232 690 1HB LEU 85 HB2 LEU 85 185.401 8.280 5.311 691 2HB LEU 85 HB1 LEU 85 186.691 9.370 4.850 692 HG LEU 85 HG LEU 85 186.953 6.454 4.242 693 1HD1 LEU 85 HD11 LEU 85 185.126 8.405 2.922 694 2HD1 LEU 85 HD12 LEU 85 184.891 6.690 3.257 695 3HD1 LEU 85 HD13 LEU 85 185.956 7.195 1.946 696 1HD2 LEU 85 HD21 LEU 85 187.794 8.277 2.201 697 2HD2 LEU 85 HD22 LEU 85 188.757 7.148 3.153 698 3HD2 LEU 85 HD23 LEU 85 188.462 8.780 3.753 699 H ASN 86 HN ASN 86 186.756 10.458 6.776 700 HA ASN 86 HA ASN 86 189.139 11.701 6.318 701 1HB ASN 86 HB2 ASN 86 188.288 13.262 8.341 702 2HB ASN 86 HB1 ASN 86 187.590 13.307 6.727 703 1HD2 ASN 86 HD21 ASN 86 185.568 12.490 6.379 704 2HD2 ASN 86 HD22 ASN 86 184.498 12.059 7.660 705 H LYS 87 HN LYS 87 188.206 9.932 9.194 706 HA LYS 87 HA LYS 87 190.495 10.760 10.721 707 1HB LYS 87 HB2 LYS 87 188.341 10.078 11.763 708 2HB LYS 87 HB1 LYS 87 188.625 8.435 11.206 709 1HG LYS 87 HG2 LYS 87 190.777 9.674 12.801 710 2HG LYS 87 HG1 LYS 87 189.278 9.291 13.649 711 1HD LYS 87 HD2 LYS 87 190.784 7.322 11.934 712 2HD LYS 87 HD1 LYS 87 191.004 7.470 13.678 713 1HE LYS 87 HE2 LYS 87 188.987 6.533 14.151 714 2HE LYS 87 HE1 LYS 87 188.229 7.168 12.693 715 1HZ LYS 87 HZ1 LYS 87 188.656 4.661 12.863 716 2HZ LYS 87 HZ2 LYS 87 190.266 5.044 12.519 717 3HZ LYS 87 HZ3 LYS 87 189.050 5.442 11.414 718 H LEU 88 HN LEU 88 189.501 7.646 9.287 719 HA LEU 88 HA LEU 88 191.866 6.263 9.791 720 1HB LEU 88 HB2 LEU 88 189.608 5.396 8.927 721 2HB LEU 88 HB1 LEU 88 190.196 5.825 7.332 722 HG LEU 88 HG LEU 88 190.461 3.405 7.998 723 1HD1 LEU 88 HD11 LEU 88 191.974 4.995 6.399 724 2HD1 LEU 88 HD12 LEU 88 192.142 3.245 6.529 725 3HD1 LEU 88 HD13 LEU 88 193.197 4.304 7.465 726 1HD2 LEU 88 HD21 LEU 88 191.329 4.227 10.348 727 2HD2 LEU 88 HD22 LEU 88 192.888 4.199 9.524 728 3HD2 LEU 88 HD23 LEU 88 191.918 2.729 9.627 729 H GLN 89 HN GLN 89 191.177 8.705 7.453 730 HA GLN 89 HA GLN 89 193.447 8.034 5.778 731 1HB GLN 89 HB2 GLN 89 191.114 9.788 5.590 732 2HB GLN 89 HB1 GLN 89 192.586 10.524 4.969 733 1HG GLN 89 HG2 GLN 89 191.829 7.763 4.129 734 2HG GLN 89 HG1 GLN 89 191.051 9.162 3.389 735 1HE2 GLN 89 HE21 GLN 89 192.851 10.948 2.931 736 2HE2 GLN 89 HE22 GLN 89 194.176 10.357 1.992 737 H HIS 90 HN HIS 90 192.536 10.527 8.122 738 HA HIS 90 HA HIS 90 194.982 11.986 7.784 739 1HB HIS 90 HB2 HIS 90 194.046 13.578 9.111 740 2HB HIS 90 HB1 HIS 90 192.574 12.728 8.667 741 HD1 HIS 90 HD1 HIS 90 192.969 10.332 10.699 742 HD2 HIS 90 HD2 HIS 90 193.243 14.376 11.612 743 HE1 HIS 90 HE1 HIS 90 192.519 10.495 13.167 744 HE2 HIS 90 HE2 HIS 90 192.780 12.941 13.713 745 H LYS 91 HN LYS 91 194.900 9.048 8.796 746 HA LYS 91 HA LYS 91 196.545 9.463 11.193 747 1HB LYS 91 HB2 LYS 91 194.551 8.088 11.588 748 2HB LYS 91 HB1 LYS 91 195.047 6.989 10.309 749 1HG LYS 91 HG2 LYS 91 196.798 6.120 11.558 750 2HG LYS 91 HG1 LYS 91 196.839 7.509 12.644 751 1HD LYS 91 HD2 LYS 91 195.887 5.643 13.820 752 2HD LYS 91 HD1 LYS 91 194.612 6.823 13.513 753 1HE LYS 91 HE2 LYS 91 194.020 4.398 13.095 754 2HE LYS 91 HE1 LYS 91 193.686 5.523 11.778 755 1HZ LYS 91 HZ1 LYS 91 195.601 4.785 10.616 756 2HZ LYS 91 HZ2 LYS 91 194.759 3.399 11.096 757 3HZ LYS 91 HZ3 LYS 91 196.147 3.874 11.935 758 H GLY 92 HN GLY 92 198.040 10.053 9.265 759 1HA GLY 92 HA2 GLY 92 199.250 8.752 7.389 760 2HA GLY 92 HA1 GLY 92 200.241 9.420 8.672 761 H GLU 93 HN GLU 93 199.462 6.678 6.961 762 HA GLU 93 HA GLU 93 199.556 4.540 8.649 763 1HB GLU 93 HB2 GLU 93 200.059 5.004 5.879 764 2HB GLU 93 HB1 GLU 93 201.304 3.922 6.486 765 1HG GLU 93 HG2 GLU 93 198.334 3.500 6.752 766 2HG GLU 93 HG1 GLU 93 199.389 2.709 5.582 767 H ALA 94 HN ALA 94 200.808 4.546 10.434 768 HA ALA 94 HA ALA 94 203.718 4.827 10.052 769 1HB ALA 94 HB1 ALA 94 203.904 6.001 11.971 770 2HB ALA 94 HB2 ALA 94 202.627 5.091 12.778 771 3HB ALA 94 HB3 ALA 94 202.212 6.381 11.650 772 H ARG 95 HN ARG 95 202.024 2.415 9.747 773 HA ARG 95 HA ARG 95 202.931 0.771 11.996 774 1HB ARG 95 HB2 ARG 95 200.516 0.789 10.917 775 2HB ARG 95 HB1 ARG 95 201.260 -0.316 9.772 776 1HG ARG 95 HG2 ARG 95 202.072 -1.415 12.095 777 2HG ARG 95 HG1 ARG 95 200.529 -0.719 12.590 778 1HD ARG 95 HD2 ARG 95 200.080 -2.930 11.869 779 2HD ARG 95 HD1 ARG 95 199.499 -1.859 10.599 780 HE ARG 95 HE ARG 95 201.851 -3.598 10.477 781 1HH1 ARG 95 HH11 ARG 95 199.722 -1.322 8.887 782 2HH1 ARG 95 HH12 ARG 95 200.304 -1.702 7.304 783 1HH2 ARG 95 HH21 ARG 95 202.611 -4.087 8.392 784 2HH2 ARG 95 HH22 ARG 95 201.941 -3.267 7.022 785 H ARG 96 HN ARG 96 205.144 1.245 10.958 786 HA ARG 96 HA ARG 96 205.829 -0.152 8.568 787 1HB ARG 96 HB2 ARG 96 207.804 0.631 10.694 788 2HB ARG 96 HB1 ARG 96 208.040 0.547 8.953 789 1HG ARG 96 HG2 ARG 96 205.975 2.446 9.603 790 2HG ARG 96 HG1 ARG 96 207.462 2.807 10.482 791 1HD ARG 96 HD2 ARG 96 207.087 2.542 7.507 792 2HD ARG 96 HD1 ARG 96 207.576 3.974 8.414 793 HE ARG 96 HE ARG 96 209.496 2.102 8.965 794 1HH1 ARG 96 HH11 ARG 96 208.220 3.552 6.060 795 2HH1 ARG 96 HH12 ARG 96 209.705 3.402 5.183 796 1HH2 ARG 96 HH21 ARG 96 211.451 1.902 7.817 797 2HH2 ARG 96 HH22 ARG 96 211.541 2.464 6.181 798 H ALA 97 HN ALA 97 205.585 -1.027 11.907 799 HA ALA 97 HA ALA 97 207.304 -3.300 11.810 800 1HB ALA 97 HB1 ALA 97 205.121 -3.317 13.781 801 2HB ALA 97 HB2 ALA 97 206.172 -1.901 13.824 802 3HB ALA 97 HB3 ALA 97 206.859 -3.516 14.005 803 H ALA 98 HN ALA 98 206.554 -5.538 12.116 804 HA ALA 98 HA ALA 98 205.436 -7.386 11.408 805 1HB ALA 98 HB1 ALA 98 202.866 -5.957 11.077 806 2HB ALA 98 HB2 ALA 98 203.590 -5.951 12.686 807 3HB ALA 98 HB3 ALA 98 203.223 -7.482 11.890 808 H THR 99 HN THR 99 206.433 -5.234 9.465 809 HA THR 99 HA THR 99 204.754 -5.772 7.144 810 HB THR 99 HB THR 99 206.689 -3.721 7.911 811 HG1 THR 99 HG1 THR 99 204.732 -3.747 5.869 812 1HG2 THR 99 HG21 THR 99 206.875 -4.880 5.156 813 2HG2 THR 99 HG22 THR 99 208.175 -4.459 6.270 814 3HG2 THR 99 HG23 THR 99 207.235 -3.186 5.489 815 H SER 100 HN SER 100 205.089 -7.643 6.144 816 HA SER 100 HA SER 100 207.761 -8.823 6.134 817 1HB SER 100 HB2 SER 100 206.548 -10.814 5.155 818 2HB SER 100 HB1 SER 100 206.037 -10.353 6.779 819 HG SER 100 HG SER 100 204.209 -10.680 5.553 820 H VAL 101 HN VAL 101 208.841 -7.571 4.613 821 HA VAL 101 HA VAL 101 207.749 -7.477 1.898 822 HB VAL 101 HB VAL 101 210.276 -6.177 2.917 823 1HG1 VAL 101 HG11 VAL 101 210.338 -4.982 0.927 824 2HG1 VAL 101 HG12 VAL 101 208.642 -5.309 0.564 825 3HG1 VAL 101 HG13 VAL 101 209.841 -6.592 0.407 826 1HG2 VAL 101 HG21 VAL 101 207.432 -5.290 3.000 827 2HG2 VAL 101 HG22 VAL 101 208.700 -4.093 2.741 828 3HG2 VAL 101 HG23 VAL 101 208.711 -5.087 4.197 829 H LYS 102 HN LYS 102 211.050 -7.928 3.173 830 HA LYS 102 HA LYS 102 211.591 -9.817 1.019 831 1HB LYS 102 HB2 LYS 102 213.106 -7.831 1.975 832 2HB LYS 102 HB1 LYS 102 213.672 -9.125 3.022 833 1HG LYS 102 HG2 LYS 102 213.777 -10.349 0.613 834 2HG LYS 102 HG1 LYS 102 214.117 -8.679 0.157 835 1HD LYS 102 HD2 LYS 102 216.223 -9.594 0.611 836 2HD LYS 102 HD1 LYS 102 215.816 -8.698 2.076 837 1HE LYS 102 HE2 LYS 102 214.964 -10.847 3.041 838 2HE LYS 102 HE1 LYS 102 215.622 -11.672 1.630 839 1HZ LYS 102 HZ1 LYS 102 217.395 -9.919 3.173 840 2HZ LYS 102 HZ2 LYS 102 217.756 -11.327 2.309 841 3HZ LYS 102 HZ3 LYS 102 217.004 -11.433 3.821 842 H ASP 103 HN ASP 103 209.887 -10.485 3.394 843 HA ASP 103 HA ASP 103 211.134 -12.080 5.265 844 1HB ASP 103 HB2 ASP 103 208.670 -11.428 5.110 845 2HB ASP 103 HB1 ASP 103 208.483 -12.798 4.020 846 H ALA 104 HN ALA 104 211.672 -14.246 5.417 847 HA ALA 104 HA ALA 104 212.438 -15.491 2.919 848 1HB ALA 104 HB1 ALA 104 213.966 -15.449 4.857 849 2HB ALA 104 HB2 ALA 104 213.633 -17.085 4.288 850 3HB ALA 104 HB3 ALA 104 212.839 -16.478 5.742 851 H ASN 105 HN ASN 105 209.847 -15.482 2.697 852 HA ASN 105 HA ASN 105 208.781 -18.001 3.743 853 1HB ASN 105 HB2 ASN 105 207.646 -15.463 3.374 854 2HB ASN 105 HB1 ASN 105 206.909 -16.481 2.142 855 1HD2 ASN 105 HD21 ASN 105 207.935 -16.954 5.510 856 2HD2 ASN 105 HD22 ASN 105 206.433 -17.614 6.051 857 H PHE 106 HN PHE 106 210.047 -16.608 0.881 858 HA PHE 106 HA PHE 106 208.700 -18.025 -1.107 859 1HB PHE 106 HB2 PHE 106 210.902 -17.743 -2.399 860 2HB PHE 106 HB1 PHE 106 210.079 -16.285 -1.860 861 HD1 PHE 106 HD1 PHE 106 212.280 -15.182 -2.282 862 HD2 PHE 106 HD2 PHE 106 211.767 -18.132 0.744 863 HE1 PHE 106 HE1 PHE 106 214.350 -14.422 -1.193 864 HE2 PHE 106 HE2 PHE 106 213.834 -17.377 1.836 865 HZ PHE 106 HZ PHE 106 215.129 -15.520 0.869 866 H VAL 107 HN VAL 107 208.352 -20.138 -0.264 867 HA VAL 107 HA VAL 107 210.720 -21.854 -0.068 868 HB VAL 107 HB VAL 107 209.122 -23.566 0.804 869 1HG1 VAL 107 HG11 VAL 107 210.334 -21.522 2.104 870 2HG1 VAL 107 HG12 VAL 107 209.448 -22.822 2.902 871 3HG1 VAL 107 HG13 VAL 107 208.656 -21.277 2.588 872 1HG2 VAL 107 HG21 VAL 107 207.180 -22.071 -0.330 873 2HG2 VAL 107 HG22 VAL 107 207.065 -21.528 1.343 874 3HG2 VAL 107 HG23 VAL 107 206.896 -23.242 0.957 875 H GLU 108 HN GLU 108 209.108 -20.807 -2.561 876 HA GLU 108 HA GLU 108 209.743 -22.842 -4.300 877 1HB GLU 108 HB2 GLU 108 207.529 -23.618 -2.816 878 2HB GLU 108 HB1 GLU 108 206.845 -23.056 -4.333 879 1HG GLU 108 HG2 GLU 108 209.010 -24.622 -5.085 880 2HG GLU 108 HG1 GLU 108 208.274 -25.490 -3.739 881 H GLU 109 HN GLU 109 207.672 -20.200 -3.536 882 HA GLU 109 HA GLU 109 206.673 -19.543 -6.049 883 1HB GLU 109 HB2 GLU 109 206.422 -17.255 -5.173 884 2HB GLU 109 HB1 GLU 109 205.877 -18.462 -4.017 885 1HG GLU 109 HG2 GLU 109 208.276 -18.242 -3.052 886 2HG GLU 109 HG1 GLU 109 208.290 -16.712 -3.928 887 H VAL 110 HN VAL 110 208.170 -19.775 -7.690 888 HA VAL 110 HA VAL 110 210.046 -17.570 -7.970 889 HB VAL 110 HB VAL 110 211.051 -20.384 -8.362 890 1HG1 VAL 110 HG11 VAL 110 211.998 -17.940 -9.252 891 2HG1 VAL 110 HG12 VAL 110 212.906 -19.448 -9.164 892 3HG1 VAL 110 HG13 VAL 110 212.988 -18.291 -7.836 893 1HG2 VAL 110 HG21 VAL 110 212.344 -20.035 -6.267 894 2HG2 VAL 110 HG22 VAL 110 210.604 -20.162 -6.011 895 3HG2 VAL 110 HG23 VAL 110 211.388 -18.583 -5.966 896 H GLU 111 HN GLU 111 210.315 -16.933 -10.047 897 HA GLU 111 HA GLU 111 208.639 -18.176 -12.049 898 1HB GLU 111 HB2 GLU 111 208.669 -15.761 -11.945 899 2HB GLU 111 HB1 GLU 111 210.416 -15.732 -12.133 900 1HG GLU 111 HG2 GLU 111 210.280 -16.439 -14.395 901 2HG GLU 111 HG1 GLU 111 208.572 -16.846 -14.236 902 H GLU 112 HN GLU 112 211.649 -18.881 -10.965 903 HA GLU 112 HA GLU 112 213.225 -20.324 -11.775 904 1HB GLU 112 HB2 GLU 112 211.160 -20.845 -13.476 905 2HB GLU 112 HB1 GLU 112 212.379 -20.258 -14.599 906 1HG GLU 112 HG2 GLU 112 213.596 -22.097 -12.793 907 2HG GLU 112 HG1 GLU 112 212.135 -22.822 -13.462 908 H GLU 113 HN GLU 113 212.387 -17.950 -14.311 909 HA GLU 113 HA GLU 113 215.064 -17.524 -15.114 910 1HB GLU 113 HB2 GLU 113 212.781 -16.947 -16.291 911 2HB GLU 113 HB1 GLU 113 212.976 -15.411 -15.459 912 1HG GLU 113 HG2 GLU 113 214.884 -16.647 -17.428 913 2HG GLU 113 HG1 GLU 113 213.849 -15.244 -17.691 Start of MODEL 9 1 1H MET 1 HT1 MET 1 186.718 1.882 -6.260 2 2H MET 1 HT2 MET 1 185.409 0.775 -6.178 3 3H MET 1 HT3 MET 1 185.162 2.353 -6.803 4 HA MET 1 HA MET 1 186.348 1.928 -8.705 5 1HB MET 1 HB2 MET 1 187.734 0.147 -6.956 6 2HB MET 1 HB1 MET 1 187.208 -0.771 -8.360 7 1HG MET 1 HG2 MET 1 188.404 0.611 -9.840 8 2HG MET 1 HG1 MET 1 188.661 1.842 -8.606 9 1HE MET 1 HE1 MET 1 190.592 1.108 -10.428 10 2HE MET 1 HE2 MET 1 191.656 -0.278 -10.189 11 3HE MET 1 HE3 MET 1 191.968 1.229 -9.329 12 H THR 2 HN THR 2 185.445 -1.277 -7.455 13 HA THR 2 HA THR 2 183.617 -1.626 -9.679 14 HB THR 2 HB THR 2 183.530 -3.771 -7.749 15 HG1 THR 2 HG1 THR 2 186.098 -2.899 -8.566 16 1HG2 THR 2 HG21 THR 2 183.483 -4.968 -9.602 17 2HG2 THR 2 HG22 THR 2 185.085 -4.394 -10.063 18 3HG2 THR 2 HG23 THR 2 183.653 -3.477 -10.527 19 H MET 3 HN MET 3 181.716 -3.312 -8.477 20 HA MET 3 HA MET 3 180.435 -1.855 -6.335 21 1HB MET 3 HB2 MET 3 179.662 -0.511 -8.164 22 2HB MET 3 HB1 MET 3 179.259 -1.932 -9.116 23 1HG MET 3 HG2 MET 3 177.333 -0.681 -8.064 24 2HG MET 3 HG1 MET 3 177.384 -2.421 -7.800 25 1HE MET 3 HE1 MET 3 177.360 1.082 -6.238 26 2HE MET 3 HE2 MET 3 176.706 0.584 -4.678 27 3HE MET 3 HE3 MET 3 175.875 0.135 -6.167 28 H ASN 4 HN ASN 4 180.600 -3.810 -5.223 29 HA ASN 4 HA ASN 4 179.076 -6.074 -6.306 30 1HB ASN 4 HB2 ASN 4 181.264 -5.844 -4.268 31 2HB ASN 4 HB1 ASN 4 180.195 -7.244 -4.260 32 1HD2 ASN 4 HD21 ASN 4 183.027 -6.027 -5.427 33 2HD2 ASN 4 HD22 ASN 4 183.265 -7.095 -6.764 34 H ILE 5 HN ILE 5 177.313 -6.897 -5.294 35 HA ILE 5 HA ILE 5 176.494 -5.680 -2.744 36 HB ILE 5 HB ILE 5 174.733 -6.093 -5.165 37 1HG1 ILE 5 HG12 ILE 5 175.090 -3.523 -3.663 38 2HG1 ILE 5 HG11 ILE 5 176.295 -4.015 -4.848 39 1HG2 ILE 5 HG21 ILE 5 172.980 -5.023 -3.657 40 2HG2 ILE 5 HG22 ILE 5 174.041 -5.445 -2.314 41 3HG2 ILE 5 HG23 ILE 5 173.381 -6.712 -3.347 42 1HD1 ILE 5 HD11 ILE 5 175.013 -3.359 -6.530 43 2HD1 ILE 5 HD12 ILE 5 173.962 -2.609 -5.328 44 3HD1 ILE 5 HD13 ILE 5 173.620 -4.240 -5.905 45 H THR 6 HN THR 6 175.062 -6.977 -1.466 46 HA THR 6 HA THR 6 174.360 -9.634 -2.242 47 HB THR 6 HB THR 6 176.709 -10.065 -1.865 48 HG1 THR 6 HG1 THR 6 175.275 -10.941 0.414 49 1HG2 THR 6 HG21 THR 6 177.753 -8.626 -0.500 50 2HG2 THR 6 HG22 THR 6 177.321 -9.807 0.737 51 3HG2 THR 6 HG23 THR 6 176.324 -8.371 0.502 52 H SER 7 HN SER 7 172.418 -8.389 -1.534 53 HA SER 7 HA SER 7 172.103 -7.949 1.309 54 1HB SER 7 HB2 SER 7 170.344 -7.575 -1.092 55 2HB SER 7 HB1 SER 7 169.656 -7.535 0.538 56 HG SER 7 HG SER 7 171.454 -5.944 0.924 57 H LYS 8 HN LYS 8 169.949 -8.791 2.275 58 HA LYS 8 HA LYS 8 169.964 -11.680 1.868 59 1HB LYS 8 HB2 LYS 8 169.182 -11.936 4.053 60 2HB LYS 8 HB1 LYS 8 170.294 -10.586 4.161 61 1HG LYS 8 HG2 LYS 8 168.454 -9.025 4.239 62 2HG LYS 8 HG1 LYS 8 167.296 -10.333 4.008 63 1HD LYS 8 HD2 LYS 8 168.354 -11.372 6.107 64 2HD LYS 8 HD1 LYS 8 169.037 -9.771 6.386 65 1HE LYS 8 HE2 LYS 8 166.610 -8.940 6.096 66 2HE LYS 8 HE1 LYS 8 166.167 -10.625 6.357 67 1HZ LYS 8 HZ1 LYS 8 166.144 -9.920 8.491 68 2HZ LYS 8 HZ2 LYS 8 167.267 -8.684 8.233 69 3HZ LYS 8 HZ3 LYS 8 167.794 -10.283 8.400 70 H GLN 9 HN GLN 9 167.357 -12.005 3.100 71 HA GLN 9 HA GLN 9 165.756 -12.408 0.940 72 1HB GLN 9 HB2 GLN 9 164.567 -13.387 2.542 73 2HB GLN 9 HB1 GLN 9 165.499 -12.548 3.766 74 1HG GLN 9 HG2 GLN 9 163.426 -10.860 2.621 75 2HG GLN 9 HG1 GLN 9 162.787 -12.341 3.321 76 1HE2 GLN 9 HE21 GLN 9 164.993 -9.649 4.040 77 2HE2 GLN 9 HE22 GLN 9 164.613 -9.577 5.722 78 H MET 10 HN MET 10 166.363 -9.353 2.450 79 HA MET 10 HA MET 10 164.050 -7.975 1.824 80 1HB MET 10 HB2 MET 10 165.254 -5.986 2.178 81 2HB MET 10 HB1 MET 10 166.030 -7.184 3.190 82 1HG MET 10 HG2 MET 10 167.815 -6.079 2.271 83 2HG MET 10 HG1 MET 10 167.665 -7.494 1.237 84 1HE MET 10 HE1 MET 10 165.716 -3.972 1.294 85 2HE MET 10 HE2 MET 10 164.770 -5.227 0.499 86 3HE MET 10 HE3 MET 10 165.418 -3.885 -0.439 87 H GLU 11 HN GLU 11 166.544 -9.045 -0.268 88 HA GLU 11 HA GLU 11 166.854 -8.941 -2.523 89 1HB GLU 11 HB2 GLU 11 164.151 -7.979 -3.164 90 2HB GLU 11 HB1 GLU 11 165.025 -9.369 -3.781 91 1HG GLU 11 HG2 GLU 11 164.520 -10.522 -1.608 92 2HG GLU 11 HG1 GLU 11 163.442 -9.176 -1.236 93 H ILE 12 HN ILE 12 167.951 -7.429 -3.553 94 HA ILE 12 HA ILE 12 167.701 -4.676 -2.905 95 HB ILE 12 HB ILE 12 169.163 -5.648 -5.338 96 1HG1 ILE 12 HG12 ILE 12 171.072 -5.687 -3.388 97 2HG1 ILE 12 HG11 ILE 12 169.682 -6.318 -2.510 98 1HG2 ILE 12 HG21 ILE 12 169.001 -3.231 -4.888 99 2HG2 ILE 12 HG22 ILE 12 170.661 -3.824 -4.830 100 3HG2 ILE 12 HG23 ILE 12 169.792 -3.489 -3.333 101 1HD1 ILE 12 HD11 ILE 12 171.263 -7.521 -4.678 102 2HD1 ILE 12 HD12 ILE 12 169.523 -7.799 -4.739 103 3HD1 ILE 12 HD13 ILE 12 170.441 -8.273 -3.310 104 H THR 13 HN THR 13 166.031 -3.490 -3.532 105 HA THR 13 HA THR 13 164.660 -4.006 -6.030 106 HB THR 13 HB THR 13 163.029 -2.441 -5.290 107 HG1 THR 13 HG1 THR 13 163.565 -0.746 -4.202 108 1HG2 THR 13 HG21 THR 13 163.850 -4.500 -3.547 109 2HG2 THR 13 HG22 THR 13 162.254 -3.770 -3.713 110 3HG2 THR 13 HG23 THR 13 163.411 -3.107 -2.559 111 HA PRO 14 HA PRO 14 166.621 -1.139 -8.725 112 1HB PRO 14 HB2 PRO 14 164.406 0.399 -9.509 113 2HB PRO 14 HB1 PRO 14 164.991 -1.067 -10.298 114 1HG PRO 14 HG2 PRO 14 162.777 -0.726 -8.333 115 2HG PRO 14 HG1 PRO 14 162.899 -1.834 -9.714 116 1HD PRO 14 HD2 PRO 14 163.222 -2.707 -7.209 117 2HD PRO 14 HD1 PRO 14 164.211 -3.351 -8.538 118 H ALA 15 HN ALA 15 164.201 0.292 -6.557 119 HA ALA 15 HA ALA 15 165.190 2.924 -6.630 120 1HB ALA 15 HB1 ALA 15 162.951 2.274 -5.793 121 2HB ALA 15 HB2 ALA 15 163.831 3.328 -4.686 122 3HB ALA 15 HB3 ALA 15 163.719 1.599 -4.356 123 H ILE 16 HN ILE 16 165.962 0.173 -4.547 124 HA ILE 16 HA ILE 16 167.688 1.675 -2.829 125 HB ILE 16 HB ILE 16 167.481 -1.316 -3.204 126 1HG1 ILE 16 HG12 ILE 16 166.237 0.540 -1.162 127 2HG1 ILE 16 HG11 ILE 16 165.383 -0.312 -2.443 128 1HG2 ILE 16 HG21 ILE 16 168.557 -1.423 -0.974 129 2HG2 ILE 16 HG22 ILE 16 168.825 0.319 -1.055 130 3HG2 ILE 16 HG23 ILE 16 169.607 -0.749 -2.222 131 1HD1 ILE 16 HD11 ILE 16 165.015 -1.934 -0.986 132 2HD1 ILE 16 HD12 ILE 16 166.107 -1.205 0.189 133 3HD1 ILE 16 HD13 ILE 16 166.739 -2.296 -1.045 134 H ARG 17 HN ARG 17 168.360 -0.894 -5.227 135 HA ARG 17 HA ARG 17 171.093 -0.810 -5.218 136 1HB ARG 17 HB2 ARG 17 171.055 -1.939 -7.249 137 2HB ARG 17 HB1 ARG 17 169.467 -2.290 -6.583 138 1HG ARG 17 HG2 ARG 17 168.722 -1.688 -8.600 139 2HG ARG 17 HG1 ARG 17 168.959 -0.037 -8.020 140 1HD ARG 17 HD2 ARG 17 170.916 0.241 -9.203 141 2HD ARG 17 HD1 ARG 17 171.250 -1.488 -9.260 142 HE ARG 17 HE ARG 17 168.916 -0.700 -10.747 143 1HH1 ARG 17 HH11 ARG 17 172.380 -1.120 -10.849 144 2HH1 ARG 17 HH12 ARG 17 172.432 -1.306 -12.570 145 1HH2 ARG 17 HH21 ARG 17 168.982 -0.946 -13.010 146 2HH2 ARG 17 HH22 ARG 17 170.503 -1.207 -13.798 147 H GLN 18 HN GLN 18 168.903 1.521 -6.614 148 HA GLN 18 HA GLN 18 170.911 2.894 -8.136 149 1HB GLN 18 HB2 GLN 18 168.052 3.061 -7.771 150 2HB GLN 18 HB1 GLN 18 168.775 4.659 -7.668 151 1HG GLN 18 HG2 GLN 18 168.043 4.038 -9.944 152 2HG GLN 18 HG1 GLN 18 169.758 4.429 -9.832 153 1HE2 GLN 18 HE21 GLN 18 171.256 2.897 -10.296 154 2HE2 GLN 18 HE22 GLN 18 170.870 1.319 -10.883 155 H HIS 19 HN HIS 19 169.061 3.758 -5.202 156 HA HIS 19 HA HIS 19 170.328 6.110 -4.551 157 1HB HIS 19 HB2 HIS 19 168.456 4.512 -3.339 158 2HB HIS 19 HB1 HIS 19 169.807 4.398 -2.218 159 HD1 HIS 19 HD1 HIS 19 167.817 7.126 -3.973 160 HD2 HIS 19 HD2 HIS 19 169.881 6.437 -0.434 161 HE1 HIS 19 HE1 HIS 19 167.458 9.183 -2.571 162 HE2 HIS 19 HE2 HIS 19 168.768 8.769 -0.461 163 H VAL 20 HN VAL 20 171.315 2.814 -3.708 164 HA VAL 20 HA VAL 20 173.614 3.603 -2.232 165 HB VAL 20 HB VAL 20 172.501 1.392 -1.982 166 1HG1 VAL 20 HG11 VAL 20 172.874 -0.369 -3.571 167 2HG1 VAL 20 HG12 VAL 20 173.869 0.686 -4.572 168 3HG1 VAL 20 HG13 VAL 20 172.140 1.000 -4.407 169 1HG2 VAL 20 HG21 VAL 20 174.396 0.575 -1.121 170 2HG2 VAL 20 HG22 VAL 20 175.163 2.031 -1.756 171 3HG2 VAL 20 HG23 VAL 20 175.195 0.536 -2.692 172 H ALA 21 HN ALA 21 173.075 2.556 -5.568 173 HA ALA 21 HA ALA 21 175.698 2.361 -6.442 174 1HB ALA 21 HB1 ALA 21 173.847 1.640 -7.814 175 2HB ALA 21 HB2 ALA 21 174.811 2.824 -8.699 176 3HB ALA 21 HB3 ALA 21 173.276 3.302 -7.970 177 H ASP 22 HN ASP 22 173.576 5.221 -6.504 178 HA ASP 22 HA ASP 22 175.441 6.999 -7.605 179 1HB ASP 22 HB2 ASP 22 172.811 7.145 -6.448 180 2HB ASP 22 HB1 ASP 22 173.795 8.473 -5.840 181 H ARG 23 HN ARG 23 174.702 6.183 -4.241 182 HA ARG 23 HA ARG 23 176.383 8.040 -2.996 183 1HB ARG 23 HB2 ARG 23 174.742 6.846 -1.711 184 2HB ARG 23 HB1 ARG 23 175.457 5.299 -2.132 185 1HG ARG 23 HG2 ARG 23 177.554 6.202 -0.913 186 2HG ARG 23 HG1 ARG 23 176.435 7.370 -0.210 187 1HD ARG 23 HD2 ARG 23 175.630 5.854 1.207 188 2HD ARG 23 HD1 ARG 23 175.350 4.698 -0.094 189 HE ARG 23 HE ARG 23 177.503 4.686 1.766 190 1HH1 ARG 23 HH11 ARG 23 176.678 3.914 -1.535 191 2HH1 ARG 23 HH12 ARG 23 177.905 2.701 -1.690 192 1HH2 ARG 23 HH21 ARG 23 179.115 3.087 1.565 193 2HH2 ARG 23 HH22 ARG 23 179.287 2.232 0.069 194 H LEU 24 HN LEU 24 177.038 4.912 -4.432 195 HA LEU 24 HA LEU 24 179.656 4.598 -3.375 196 1HB LEU 24 HB2 LEU 24 178.467 2.675 -4.178 197 2HB LEU 24 HB1 LEU 24 178.277 3.390 -5.768 198 HG LEU 24 HG LEU 24 181.042 2.914 -4.758 199 1HD1 LEU 24 HD11 LEU 24 181.058 0.653 -5.134 200 2HD1 LEU 24 HD12 LEU 24 179.633 0.704 -6.172 201 3HD1 LEU 24 HD13 LEU 24 179.457 0.856 -4.423 202 1HD2 LEU 24 HD21 LEU 24 181.242 3.831 -6.814 203 2HD2 LEU 24 HD22 LEU 24 179.642 3.296 -7.329 204 3HD2 LEU 24 HD23 LEU 24 180.995 2.164 -7.335 205 H ALA 25 HN ALA 25 178.501 5.600 -6.597 206 HA ALA 25 HA ALA 25 180.979 6.171 -7.723 207 1HB ALA 25 HB1 ALA 25 178.756 7.945 -8.501 208 2HB ALA 25 HB2 ALA 25 178.453 6.213 -8.639 209 3HB ALA 25 HB3 ALA 25 179.812 6.942 -9.495 210 H LYS 26 HN LYS 26 178.832 8.236 -5.813 211 HA LYS 26 HA LYS 26 180.331 10.612 -6.101 212 1HB LYS 26 HB2 LYS 26 178.561 9.863 -3.771 213 2HB LYS 26 HB1 LYS 26 178.999 11.484 -4.291 214 1HG LYS 26 HG2 LYS 26 177.685 9.847 -6.341 215 2HG LYS 26 HG1 LYS 26 176.689 10.227 -4.934 216 1HD LYS 26 HD2 LYS 26 176.763 12.502 -5.331 217 2HD LYS 26 HD1 LYS 26 178.262 12.396 -6.256 218 1HE LYS 26 HE2 LYS 26 175.622 11.287 -7.196 219 2HE LYS 26 HE1 LYS 26 176.216 12.894 -7.616 220 1HZ LYS 26 HZ1 LYS 26 177.705 12.060 -9.057 221 2HZ LYS 26 HZ2 LYS 26 176.674 10.720 -9.081 222 3HZ LYS 26 HZ3 LYS 26 178.057 10.705 -8.107 223 H LEU 27 HN LEU 27 180.389 8.023 -3.694 224 HA LEU 27 HA LEU 27 182.281 9.267 -1.981 225 1HB LEU 27 HB2 LEU 27 180.659 7.097 -1.778 226 2HB LEU 27 HB1 LEU 27 182.212 6.322 -2.030 227 HG LEU 27 HG LEU 27 181.815 8.409 0.097 228 1HD1 LEU 27 HD11 LEU 27 180.432 7.000 1.131 229 2HD1 LEU 27 HD12 LEU 27 181.855 5.995 1.404 230 3HD1 LEU 27 HD13 LEU 27 180.804 5.680 0.023 231 1HD2 LEU 27 HD21 LEU 27 184.038 8.138 0.138 232 2HD2 LEU 27 HD22 LEU 27 183.970 6.636 -0.786 233 3HD2 LEU 27 HD23 LEU 27 183.682 6.615 0.954 234 H GLU 28 HN GLU 28 182.608 7.845 -5.036 235 HA GLU 28 HA GLU 28 185.152 6.651 -4.814 236 1HB GLU 28 HB2 GLU 28 183.473 6.438 -6.722 237 2HB GLU 28 HB1 GLU 28 184.080 7.985 -7.294 238 1HG GLU 28 HG2 GLU 28 186.004 7.106 -8.053 239 2HG GLU 28 HG1 GLU 28 186.123 5.946 -6.729 240 H LYS 29 HN LYS 29 184.199 9.925 -4.731 241 HA LYS 29 HA LYS 29 186.858 10.858 -5.535 242 1HB LYS 29 HB2 LYS 29 184.378 11.859 -6.108 243 2HB LYS 29 HB1 LYS 29 184.859 12.866 -4.749 244 1HG LYS 29 HG2 LYS 29 185.506 13.961 -6.766 245 2HG LYS 29 HG1 LYS 29 186.966 13.389 -5.955 246 1HD LYS 29 HD2 LYS 29 187.526 12.109 -7.692 247 2HD LYS 29 HD1 LYS 29 185.915 11.390 -7.764 248 1HE LYS 29 HE2 LYS 29 185.470 13.902 -8.751 249 2HE LYS 29 HE1 LYS 29 187.090 13.552 -9.352 250 1HZ LYS 29 HZ1 LYS 29 185.172 11.402 -9.653 251 2HZ LYS 29 HZ2 LYS 29 186.327 11.985 -10.743 252 3HZ LYS 29 HZ3 LYS 29 184.845 12.784 -10.573 253 H TRP 30 HN TRP 30 186.287 9.467 -2.978 254 HA TRP 30 HA TRP 30 186.790 11.613 -1.043 255 1HB TRP 30 HB2 TRP 30 185.417 9.073 -0.929 256 2HB TRP 30 HB1 TRP 30 186.659 9.154 0.315 257 HD1 TRP 30 HD1 TRP 30 183.312 10.662 -0.683 258 HE1 TRP 30 HE1 TRP 30 182.420 12.081 1.271 259 HE3 TRP 30 HE3 TRP 30 187.449 10.604 2.322 260 HZ2 TRP 30 HZ2 TRP 30 183.346 13.048 3.754 261 HZ3 TRP 30 HZ3 TRP 30 187.363 11.801 4.470 262 HH2 TRP 30 HH2 TRP 30 185.353 12.997 5.169 263 H GLN 31 HN GLN 31 188.750 10.472 -3.030 264 HA GLN 31 HA GLN 31 190.972 10.009 -3.107 265 1HB GLN 31 HB2 GLN 31 190.744 11.718 -1.057 266 2HB GLN 31 HB1 GLN 31 191.350 10.320 -0.181 267 1HG GLN 31 HG2 GLN 31 193.266 11.503 -0.734 268 2HG GLN 31 HG1 GLN 31 193.187 10.235 -1.958 269 1HE2 GLN 31 HE21 GLN 31 194.556 12.773 -2.084 270 2HE2 GLN 31 HE22 GLN 31 193.895 13.627 -3.432 271 H THR 32 HN THR 32 188.814 8.096 -1.515 272 HA THR 32 HA THR 32 190.589 6.209 -0.306 273 HB THR 32 HB THR 32 188.511 4.755 -0.279 274 HG1 THR 32 HG1 THR 32 186.567 5.877 -0.789 275 1HG2 THR 32 HG21 THR 32 187.184 6.406 1.195 276 2HG2 THR 32 HG22 THR 32 188.586 7.454 0.983 277 3HG2 THR 32 HG23 THR 32 188.777 5.863 1.720 278 H HIS 33 HN HIS 33 190.723 3.934 -1.014 279 HA HIS 33 HA HIS 33 190.945 3.788 -3.942 280 1HB HIS 33 HB2 HIS 33 192.391 2.071 -1.923 281 2HB HIS 33 HB1 HIS 33 192.698 2.169 -3.653 282 HD1 HIS 33 HD1 HIS 33 194.946 3.192 -3.832 283 HD2 HIS 33 HD2 HIS 33 192.553 5.175 -1.073 284 HE1 HIS 33 HE1 HIS 33 196.281 5.192 -3.100 285 HE2 HIS 33 HE2 HIS 33 194.780 6.421 -1.493 286 H LEU 34 HN LEU 34 188.824 2.937 -1.681 287 HA LEU 34 HA LEU 34 188.136 0.444 -1.411 288 1HB LEU 34 HB2 LEU 34 186.030 1.902 -2.912 289 2HB LEU 34 HB1 LEU 34 185.915 0.991 -1.421 290 HG LEU 34 HG LEU 34 187.370 3.598 -1.389 291 1HD1 LEU 34 HD11 LEU 34 185.575 4.580 -2.304 292 2HD1 LEU 34 HD12 LEU 34 184.918 4.397 -0.676 293 3HD1 LEU 34 HD13 LEU 34 184.506 3.229 -1.932 294 1HD2 LEU 34 HD21 LEU 34 185.465 2.617 0.675 295 2HD2 LEU 34 HD22 LEU 34 186.939 3.566 0.861 296 3HD2 LEU 34 HD23 LEU 34 187.040 1.837 0.529 297 H ILE 35 HN ILE 35 188.763 -1.231 -2.623 298 HA ILE 35 HA ILE 35 188.503 -1.129 -5.511 299 HB ILE 35 HB ILE 35 189.592 -3.352 -5.489 300 1HG1 ILE 35 HG12 ILE 35 189.320 -2.962 -2.529 301 2HG1 ILE 35 HG11 ILE 35 189.014 -4.399 -3.491 302 1HG2 ILE 35 HG21 ILE 35 191.645 -2.412 -5.362 303 2HG2 ILE 35 HG22 ILE 35 191.343 -1.702 -3.775 304 3HG2 ILE 35 HG23 ILE 35 190.700 -0.929 -5.224 305 1HD1 ILE 35 HD11 ILE 35 191.423 -4.694 -3.797 306 2HD1 ILE 35 HD12 ILE 35 190.965 -4.688 -2.094 307 3HD1 ILE 35 HD13 ILE 35 191.713 -3.261 -2.809 308 H ASN 36 HN ASN 36 187.376 -3.401 -2.967 309 HA ASN 36 HA ASN 36 185.244 -4.200 -4.828 310 1HB ASN 36 HB2 ASN 36 185.092 -6.276 -3.429 311 2HB ASN 36 HB1 ASN 36 186.615 -6.077 -4.286 312 1HD2 ASN 36 HD21 ASN 36 187.941 -7.193 -3.007 313 2HD2 ASN 36 HD22 ASN 36 188.254 -6.819 -1.351 314 HA PRO 37 HA PRO 37 183.115 -1.820 -1.447 315 1HB PRO 37 HB2 PRO 37 181.270 -0.705 -3.116 316 2HB PRO 37 HB1 PRO 37 182.853 0.018 -2.799 317 1HG PRO 37 HG2 PRO 37 181.975 -1.671 -5.112 318 2HG PRO 37 HG1 PRO 37 182.940 -0.184 -5.119 319 1HD PRO 37 HD2 PRO 37 184.077 -2.609 -5.350 320 2HD PRO 37 HD1 PRO 37 184.872 -1.287 -4.470 321 H HIS 38 HN HIS 38 182.379 -3.841 -0.632 322 HA HIS 38 HA HIS 38 180.163 -5.161 -1.956 323 1HB HIS 38 HB2 HIS 38 182.153 -5.903 -0.046 324 2HB HIS 38 HB1 HIS 38 180.569 -6.196 0.666 325 HD1 HIS 38 HD1 HIS 38 182.909 -8.166 -0.738 326 HD2 HIS 38 HD2 HIS 38 178.992 -7.401 -1.896 327 HE1 HIS 38 HE1 HIS 38 182.228 -10.133 -2.149 328 HE2 HIS 38 HE2 HIS 38 179.831 -9.682 -2.781 329 H ILE 39 HN ILE 39 178.167 -4.413 -1.738 330 HA ILE 39 HA ILE 39 177.447 -2.926 0.686 331 HB ILE 39 HB ILE 39 176.082 -3.108 -2.003 332 1HG1 ILE 39 HG12 ILE 39 176.609 -0.650 -2.041 333 2HG1 ILE 39 HG11 ILE 39 177.569 -0.890 -0.585 334 1HG2 ILE 39 HG21 ILE 39 175.250 -1.574 0.458 335 2HG2 ILE 39 HG22 ILE 39 174.391 -2.929 -0.276 336 3HG2 ILE 39 HG23 ILE 39 174.529 -1.400 -1.142 337 1HD1 ILE 39 HD11 ILE 39 178.739 -0.849 -2.874 338 2HD1 ILE 39 HD12 ILE 39 178.122 -2.491 -3.042 339 3HD1 ILE 39 HD13 ILE 39 179.197 -2.087 -1.705 340 H ILE 40 HN ILE 40 176.484 -4.031 2.243 341 HA ILE 40 HA ILE 40 174.721 -6.279 1.509 342 HB ILE 40 HB ILE 40 175.876 -5.969 4.258 343 1HG1 ILE 40 HG12 ILE 40 177.247 -7.317 1.917 344 2HG1 ILE 40 HG11 ILE 40 177.806 -5.866 2.744 345 1HG2 ILE 40 HG21 ILE 40 174.072 -7.704 3.199 346 2HG2 ILE 40 HG22 ILE 40 175.075 -8.033 4.612 347 3HG2 ILE 40 HG23 ILE 40 175.575 -8.611 3.022 348 1HD1 ILE 40 HD11 ILE 40 177.653 -8.660 3.838 349 2HD1 ILE 40 HD12 ILE 40 177.983 -7.239 4.828 350 3HD1 ILE 40 HD13 ILE 40 179.095 -7.690 3.535 351 H LEU 41 HN LEU 41 172.922 -4.835 1.252 352 HA LEU 41 HA LEU 41 171.993 -3.519 3.705 353 1HB LEU 41 HB2 LEU 41 171.952 -2.017 1.892 354 2HB LEU 41 HB1 LEU 41 171.287 -3.217 0.799 355 HG LEU 41 HG LEU 41 169.570 -2.521 3.095 356 1HD1 LEU 41 HD11 LEU 41 170.183 -0.534 0.916 357 2HD1 LEU 41 HD12 LEU 41 170.424 -0.323 2.651 358 3HD1 LEU 41 HD13 LEU 41 168.790 -0.442 1.994 359 1HD2 LEU 41 HD21 LEU 41 169.352 -3.407 0.310 360 2HD2 LEU 41 HD22 LEU 41 168.120 -2.247 0.808 361 3HD2 LEU 41 HD23 LEU 41 168.324 -3.754 1.699 362 H SER 42 HN SER 42 171.012 -5.054 4.931 363 HA SER 42 HA SER 42 168.973 -6.727 3.636 364 1HB SER 42 HB2 SER 42 170.672 -7.126 6.075 365 2HB SER 42 HB1 SER 42 169.145 -7.997 5.895 366 HG SER 42 HG SER 42 171.408 -8.723 4.907 367 H LYS 43 HN LYS 43 167.106 -7.300 5.163 368 HA LYS 43 HA LYS 43 166.154 -4.765 6.325 369 1HB LYS 43 HB2 LYS 43 164.904 -6.539 4.525 370 2HB LYS 43 HB1 LYS 43 164.052 -6.720 6.051 371 1HG LYS 43 HG2 LYS 43 163.551 -4.383 6.117 372 2HG LYS 43 HG1 LYS 43 164.574 -4.077 4.713 373 1HD LYS 43 HD2 LYS 43 162.235 -4.110 4.059 374 2HD LYS 43 HD1 LYS 43 163.089 -5.480 3.346 375 1HE LYS 43 HE2 LYS 43 162.252 -6.897 5.209 376 2HE LYS 43 HE1 LYS 43 161.298 -5.523 5.771 377 1HZ LYS 43 HZ1 LYS 43 159.738 -6.455 4.474 378 2HZ LYS 43 HZ2 LYS 43 160.853 -7.288 3.512 379 3HZ LYS 43 HZ3 LYS 43 160.544 -5.651 3.221 380 H GLU 44 HN GLU 44 166.383 -4.643 8.445 381 HA GLU 44 HA GLU 44 166.045 -7.079 10.050 382 1HB GLU 44 HB2 GLU 44 168.118 -6.175 10.606 383 2HB GLU 44 HB1 GLU 44 167.543 -4.520 10.489 384 1HG GLU 44 HG2 GLU 44 166.276 -4.824 12.562 385 2HG GLU 44 HG1 GLU 44 166.884 -6.474 12.680 386 HA PRO 45 HA PRO 45 162.031 -6.222 11.637 387 1HB PRO 45 HB2 PRO 45 163.131 -6.218 14.347 388 2HB PRO 45 HB1 PRO 45 161.986 -7.332 13.610 389 1HG PRO 45 HG2 PRO 45 164.833 -7.651 13.997 390 2HG PRO 45 HG1 PRO 45 163.656 -8.838 13.420 391 1HD PRO 45 HD2 PRO 45 165.640 -7.749 11.869 392 2HD PRO 45 HD1 PRO 45 164.118 -8.394 11.225 393 H GLN 46 HN GLN 46 164.601 -4.612 13.518 394 HA GLN 46 HA GLN 46 162.867 -2.272 13.776 395 1HB GLN 46 HB2 GLN 46 164.205 -3.557 15.684 396 2HB GLN 46 HB1 GLN 46 165.473 -2.437 15.196 397 1HG GLN 46 HG2 GLN 46 164.536 -0.812 16.366 398 2HG GLN 46 HG1 GLN 46 163.027 -0.998 15.476 399 1HE2 GLN 46 HE21 GLN 46 161.877 -3.160 16.208 400 2HE2 GLN 46 HE22 GLN 46 161.667 -3.290 17.918 401 H GLY 47 HN GLY 47 163.717 -2.304 11.253 402 1HA GLY 47 HA2 GLY 47 164.482 -0.268 10.137 403 2HA GLY 47 HA1 GLY 47 165.834 -0.243 11.249 404 H PHE 48 HN PHE 48 166.105 -0.017 8.507 405 HA PHE 48 HA PHE 48 166.781 -2.463 7.234 406 1HB PHE 48 HB2 PHE 48 166.786 0.363 6.589 407 2HB PHE 48 HB1 PHE 48 168.262 -0.407 6.023 408 HD1 PHE 48 HD1 PHE 48 167.892 -2.681 4.772 409 HD2 PHE 48 HD2 PHE 48 164.949 0.354 5.210 410 HE1 PHE 48 HE1 PHE 48 166.706 -3.561 2.813 411 HE2 PHE 48 HE2 PHE 48 163.753 -0.514 3.243 412 HZ PHE 48 HZ PHE 48 164.630 -2.477 2.040 413 H VAL 49 HN VAL 49 168.842 -3.316 6.805 414 HA VAL 49 HA VAL 49 170.919 -2.481 8.721 415 HB VAL 49 HB VAL 49 171.127 -5.140 7.429 416 1HG1 VAL 49 HG11 VAL 49 172.386 -5.638 9.234 417 2HG1 VAL 49 HG12 VAL 49 171.331 -4.766 10.345 418 3HG1 VAL 49 HG13 VAL 49 172.504 -3.884 9.368 419 1HG2 VAL 49 HG21 VAL 49 168.942 -5.553 7.880 420 2HG2 VAL 49 HG22 VAL 49 168.859 -4.327 9.143 421 3HG2 VAL 49 HG23 VAL 49 169.610 -5.888 9.478 422 H ALA 50 HN ALA 50 171.436 -0.850 7.010 423 HA ALA 50 HA ALA 50 172.604 -1.747 4.552 424 1HB ALA 50 HB1 ALA 50 173.402 0.661 4.425 425 2HB ALA 50 HB2 ALA 50 172.533 0.918 5.938 426 3HB ALA 50 HB3 ALA 50 171.658 0.409 4.494 427 H ASP 51 HN ASP 51 174.215 -3.227 5.128 428 HA ASP 51 HA ASP 51 176.535 -2.105 6.553 429 1HB ASP 51 HB2 ASP 51 175.483 -4.908 6.289 430 2HB ASP 51 HB1 ASP 51 177.167 -4.617 6.715 431 H ALA 52 HN ALA 52 177.449 -1.089 4.730 432 HA ALA 52 HA ALA 52 178.271 -2.846 2.528 433 1HB ALA 52 HB1 ALA 52 179.042 -0.401 1.707 434 2HB ALA 52 HB2 ALA 52 177.703 0.035 2.769 435 3HB ALA 52 HB3 ALA 52 177.436 -1.069 1.422 436 H THR 53 HN THR 53 180.218 -3.736 2.708 437 HA THR 53 HA THR 53 182.290 -2.386 4.271 438 HB THR 53 HB THR 53 182.001 -4.635 4.959 439 HG1 THR 53 HG1 THR 53 184.001 -5.588 4.321 440 1HG2 THR 53 HG21 THR 53 180.880 -5.896 3.462 441 2HG2 THR 53 HG22 THR 53 182.515 -6.432 3.071 442 3HG2 THR 53 HG23 THR 53 181.727 -5.207 2.076 443 H ILE 54 HN ILE 54 183.955 -1.399 3.337 444 HA ILE 54 HA ILE 54 184.449 -1.889 0.467 445 HB ILE 54 HB ILE 54 185.601 0.471 0.736 446 1HG1 ILE 54 HG12 ILE 54 184.860 0.366 3.255 447 2HG1 ILE 54 HG11 ILE 54 184.799 1.886 2.375 448 1HG2 ILE 54 HG21 ILE 54 182.621 0.113 0.450 449 2HG2 ILE 54 HG22 ILE 54 183.818 -0.067 -0.831 450 3HG2 ILE 54 HG23 ILE 54 183.550 1.512 -0.093 451 1HD1 ILE 54 HD11 ILE 54 182.812 1.636 3.692 452 2HD1 ILE 54 HD12 ILE 54 182.481 0.060 2.975 453 3HD1 ILE 54 HD13 ILE 54 182.387 1.517 1.985 454 H ASN 55 HN ASN 55 186.523 -2.228 -0.234 455 HA ASN 55 HA ASN 55 188.468 -2.883 1.819 456 1HB ASN 55 HB2 ASN 55 187.972 -3.706 -0.921 457 2HB ASN 55 HB1 ASN 55 189.665 -3.286 -0.677 458 1HD2 ASN 55 HD21 ASN 55 190.451 -4.142 1.586 459 2HD2 ASN 55 HD22 ASN 55 190.131 -5.820 1.849 460 H THR 56 HN THR 56 189.196 -0.958 2.621 461 HA THR 56 HA THR 56 190.227 1.084 0.826 462 HB THR 56 HB THR 56 190.384 2.484 2.729 463 HG1 THR 56 HG1 THR 56 190.102 0.199 4.373 464 1HG2 THR 56 HG21 THR 56 188.263 1.848 4.130 465 2HG2 THR 56 HG22 THR 56 188.000 0.720 2.800 466 3HG2 THR 56 HG23 THR 56 188.125 2.449 2.478 467 HA PRO 57 HA PRO 57 194.503 0.026 0.958 468 1HB PRO 57 HB2 PRO 57 195.721 2.380 1.703 469 2HB PRO 57 HB1 PRO 57 195.151 2.024 0.070 470 1HG PRO 57 HG2 PRO 57 193.827 3.605 2.237 471 2HG PRO 57 HG1 PRO 57 193.925 3.947 0.499 472 1HD PRO 57 HD2 PRO 57 191.707 2.932 1.603 473 2HD PRO 57 HD1 PRO 57 192.237 2.441 -0.018 474 H ASN 58 HN ASN 58 193.272 1.739 3.784 475 HA ASN 58 HA ASN 58 195.426 0.732 5.453 476 1HB ASN 58 HB2 ASN 58 193.652 2.947 5.569 477 2HB ASN 58 HB1 ASN 58 193.351 1.957 6.994 478 1HD2 ASN 58 HD21 ASN 58 195.537 1.102 7.948 479 2HD2 ASN 58 HD22 ASN 58 196.722 2.333 8.210 480 H GLY 59 HN GLY 59 192.574 -0.523 4.308 481 1HA GLY 59 HA2 GLY 59 192.540 -2.898 5.519 482 2HA GLY 59 HA1 GLY 59 191.812 -1.892 6.761 483 H VAL 60 HN VAL 60 189.677 -1.629 6.706 484 HA VAL 60 HA VAL 60 188.225 -1.662 4.202 485 HB VAL 60 HB VAL 60 187.598 -3.735 6.314 486 1HG1 VAL 60 HG11 VAL 60 185.826 -2.583 4.649 487 2HG1 VAL 60 HG12 VAL 60 185.709 -4.257 5.191 488 3HG1 VAL 60 HG13 VAL 60 186.413 -3.886 3.616 489 1HG2 VAL 60 HG21 VAL 60 188.244 -5.363 4.532 490 2HG2 VAL 60 HG22 VAL 60 189.585 -4.413 5.172 491 3HG2 VAL 60 HG23 VAL 60 188.887 -4.008 3.605 492 H LEU 61 HN LEU 61 186.718 -0.139 4.326 493 HA LEU 61 HA LEU 61 185.968 0.935 6.915 494 1HB LEU 61 HB2 LEU 61 186.074 1.896 4.195 495 2HB LEU 61 HB1 LEU 61 184.508 2.240 4.904 496 HG LEU 61 HG LEU 61 186.619 2.928 6.752 497 1HD1 LEU 61 HD11 LEU 61 187.149 5.002 5.146 498 2HD1 LEU 61 HD12 LEU 61 186.966 3.734 3.933 499 3HD1 LEU 61 HD13 LEU 61 188.157 3.555 5.222 500 1HD2 LEU 61 HD21 LEU 61 185.398 4.910 6.982 501 2HD2 LEU 61 HD22 LEU 61 184.181 3.689 6.607 502 3HD2 LEU 61 HD23 LEU 61 184.735 4.797 5.352 503 H VAL 62 HN VAL 62 184.180 0.398 7.978 504 HA VAL 62 HA VAL 62 182.212 -1.295 6.652 505 HB VAL 62 HB VAL 62 182.669 -0.608 9.553 506 1HG1 VAL 62 HG11 VAL 62 180.336 -1.930 8.241 507 2HG1 VAL 62 HG12 VAL 62 180.374 -0.808 9.600 508 3HG1 VAL 62 HG13 VAL 62 180.865 -2.486 9.828 509 1HG2 VAL 62 HG21 VAL 62 184.214 -2.223 8.924 510 2HG2 VAL 62 HG22 VAL 62 183.084 -3.022 7.831 511 3HG2 VAL 62 HG23 VAL 62 182.886 -3.181 9.577 512 H ALA 63 HN ALA 63 180.636 -0.268 5.618 513 HA ALA 63 HA ALA 63 179.659 2.300 6.593 514 1HB ALA 63 HB1 ALA 63 178.360 1.173 4.231 515 2HB ALA 63 HB2 ALA 63 180.107 1.346 4.070 516 3HB ALA 63 HB3 ALA 63 179.116 2.748 4.469 517 H SER 64 HN SER 64 178.559 1.603 8.466 518 HA SER 64 HA SER 64 176.306 -0.218 8.097 519 1HB SER 64 HB2 SER 64 176.230 0.476 10.738 520 2HB SER 64 HB1 SER 64 177.136 -0.891 10.091 521 HG SER 64 HG SER 64 178.170 0.967 11.454 522 H GLY 65 HN GLY 65 174.257 0.427 7.980 523 1HA GLY 65 HA2 GLY 65 173.523 3.093 8.964 524 2HA GLY 65 HA1 GLY 65 173.205 2.712 7.278 525 H LYS 66 HN LYS 66 172.104 2.436 10.495 526 HA LYS 66 HA LYS 66 170.052 0.489 9.736 527 1HB LYS 66 HB2 LYS 66 171.457 1.111 12.202 528 2HB LYS 66 HB1 LYS 66 169.716 1.052 12.436 529 1HG LYS 66 HG2 LYS 66 170.491 -1.117 12.874 530 2HG LYS 66 HG1 LYS 66 169.772 -1.191 11.264 531 1HD LYS 66 HD2 LYS 66 171.791 -2.365 11.061 532 2HD LYS 66 HD1 LYS 66 172.134 -0.773 10.382 533 1HE LYS 66 HE2 LYS 66 172.721 -0.466 13.059 534 2HE LYS 66 HE1 LYS 66 173.278 -2.102 12.707 535 1HZ LYS 66 HZ1 LYS 66 174.612 -1.244 10.907 536 2HZ LYS 66 HZ2 LYS 66 175.003 -0.430 12.337 537 3HZ LYS 66 HZ3 LYS 66 174.036 0.325 11.172 538 H HIS 67 HN HIS 67 167.979 1.057 9.433 539 HA HIS 67 HA HIS 67 166.669 3.136 10.810 540 1HB HIS 67 HB2 HIS 67 168.275 4.045 8.634 541 2HB HIS 67 HB1 HIS 67 166.582 4.276 8.206 542 HD1 HIS 67 HD1 HIS 67 169.173 5.370 10.683 543 HD2 HIS 67 HD2 HIS 67 165.245 6.246 9.653 544 HE1 HIS 67 HE1 HIS 67 168.607 7.480 11.927 545 HE2 HIS 67 HE2 HIS 67 166.204 7.955 11.343 546 H GLU 68 HN GLU 68 164.500 3.064 10.535 547 HA GLU 68 HA GLU 68 163.260 0.865 9.450 548 1HB GLU 68 HB2 GLU 68 161.152 2.257 9.517 549 2HB GLU 68 HB1 GLU 68 162.060 2.166 11.020 550 1HG GLU 68 HG2 GLU 68 163.033 4.369 10.548 551 2HG GLU 68 HG1 GLU 68 162.081 4.456 9.066 552 H ASP 69 HN ASP 69 163.615 4.064 7.928 553 HA ASP 69 HA ASP 69 162.342 3.134 5.510 554 1HB ASP 69 HB2 ASP 69 163.070 5.689 6.642 555 2HB ASP 69 HB1 ASP 69 163.600 5.578 4.966 556 H MET 70 HN MET 70 163.309 2.928 3.486 557 HA MET 70 HA MET 70 165.838 1.689 3.501 558 1HB MET 70 HB2 MET 70 165.262 0.984 1.446 559 2HB MET 70 HB1 MET 70 163.700 1.693 1.816 560 1HG MET 70 HG2 MET 70 164.411 3.769 0.690 561 2HG MET 70 HG1 MET 70 165.929 2.983 0.262 562 1HE MET 70 HE1 MET 70 162.144 1.780 0.281 563 2HE MET 70 HE2 MET 70 161.770 1.972 -1.432 564 3HE MET 70 HE3 MET 70 162.160 3.386 -0.451 565 H TYR 71 HN TYR 71 164.820 4.857 2.204 566 HA TYR 71 HA TYR 71 167.415 5.574 1.331 567 1HB TYR 71 HB2 TYR 71 164.886 7.113 1.795 568 2HB TYR 71 HB1 TYR 71 166.382 7.956 1.414 569 HD1 TYR 71 HD1 TYR 71 164.165 8.339 -0.358 570 HD2 TYR 71 HD2 TYR 71 166.991 5.157 -0.318 571 HE1 TYR 71 HE1 TYR 71 163.763 7.952 -2.753 572 HE2 TYR 71 HE2 TYR 71 166.598 4.759 -2.699 573 HH TYR 71 HH TYR 71 164.007 6.269 -4.416 574 H THR 72 HN THR 72 165.654 6.203 4.338 575 HA THR 72 HA THR 72 167.543 7.984 5.434 576 HB THR 72 HB THR 72 166.220 6.243 7.392 577 HG1 THR 72 HG1 THR 72 164.695 7.634 5.455 578 1HG2 THR 72 HG21 THR 72 166.780 9.063 7.007 579 2HG2 THR 72 HG22 THR 72 166.542 8.145 8.494 580 3HG2 THR 72 HG23 THR 72 165.148 8.762 7.604 581 H ALA 73 HN ALA 73 167.442 4.519 5.153 582 HA ALA 73 HA ALA 73 169.474 3.944 7.063 583 1HB ALA 73 HB1 ALA 73 167.850 2.262 6.266 584 2HB ALA 73 HB2 ALA 73 169.521 1.731 6.083 585 3HB ALA 73 HB3 ALA 73 168.620 2.303 4.680 586 H ILE 74 HN ILE 74 169.449 4.477 3.564 587 HA ILE 74 HA ILE 74 172.193 3.949 3.129 588 HB ILE 74 HB ILE 74 171.081 6.033 1.380 589 1HG1 ILE 74 HG12 ILE 74 169.006 4.761 1.947 590 2HG1 ILE 74 HG11 ILE 74 169.449 4.678 0.251 591 1HG2 ILE 74 HG21 ILE 74 172.973 5.072 0.535 592 2HG2 ILE 74 HG22 ILE 74 171.733 4.123 -0.285 593 3HG2 ILE 74 HG23 ILE 74 172.556 3.464 1.127 594 1HD1 ILE 74 HD11 ILE 74 169.476 2.552 2.321 595 2HD1 ILE 74 HD12 ILE 74 170.625 2.461 0.986 596 3HD1 ILE 74 HD13 ILE 74 168.892 2.511 0.656 597 H ASN 75 HN ASN 75 170.429 6.788 4.151 598 HA ASN 75 HA ASN 75 172.522 8.665 3.816 599 1HB ASN 75 HB2 ASN 75 169.989 8.629 5.436 600 2HB ASN 75 HB1 ASN 75 171.133 9.960 5.576 601 1HD2 ASN 75 HD21 ASN 75 168.545 8.688 3.854 602 2HD2 ASN 75 HD22 ASN 75 168.565 9.785 2.520 603 H GLU 76 HN GLU 76 171.211 7.354 6.872 604 HA GLU 76 HA GLU 76 173.186 8.247 8.560 605 1HB GLU 76 HB2 GLU 76 171.604 5.678 8.687 606 2HB GLU 76 HB1 GLU 76 172.600 6.276 10.007 607 1HG GLU 76 HG2 GLU 76 170.132 7.530 8.842 608 2HG GLU 76 HG1 GLU 76 170.366 6.898 10.471 609 H LEU 77 HN LEU 77 173.314 5.583 6.310 610 HA LEU 77 HA LEU 77 175.614 4.330 7.409 611 1HB LEU 77 HB2 LEU 77 175.251 2.779 5.845 612 2HB LEU 77 HB1 LEU 77 173.783 3.663 5.492 613 HG LEU 77 HG LEU 77 175.182 4.954 3.766 614 1HD1 LEU 77 HD11 LEU 77 177.114 2.971 4.732 615 2HD1 LEU 77 HD12 LEU 77 177.375 4.528 3.947 616 3HD1 LEU 77 HD13 LEU 77 176.991 3.105 2.977 617 1HD2 LEU 77 HD21 LEU 77 173.661 2.648 3.623 618 2HD2 LEU 77 HD22 LEU 77 175.127 2.245 2.732 619 3HD2 LEU 77 HD23 LEU 77 174.171 3.652 2.267 620 H ILE 78 HN ILE 78 175.154 6.726 4.820 621 HA ILE 78 HA ILE 78 177.863 6.850 4.047 622 HB ILE 78 HB ILE 78 176.012 7.762 2.674 623 1HG1 ILE 78 HG12 ILE 78 177.891 10.032 3.212 624 2HG1 ILE 78 HG11 ILE 78 178.527 8.498 2.626 625 1HG2 ILE 78 HG21 ILE 78 175.657 10.344 3.492 626 2HG2 ILE 78 HG22 ILE 78 175.658 9.466 5.021 627 3HG2 ILE 78 HG23 ILE 78 174.516 9.026 3.753 628 1HD1 ILE 78 HD11 ILE 78 177.744 8.829 0.557 629 2HD1 ILE 78 HD12 ILE 78 177.683 10.523 1.048 630 3HD1 ILE 78 HD13 ILE 78 176.229 9.528 1.129 631 H ASN 79 HN ASN 79 176.116 8.254 6.693 632 HA ASN 79 HA ASN 79 177.977 10.307 7.332 633 1HB ASN 79 HB2 ASN 79 176.079 8.891 9.219 634 2HB ASN 79 HB1 ASN 79 176.791 10.489 9.430 635 1HD2 ASN 79 HD21 ASN 79 174.119 10.221 9.629 636 2HD2 ASN 79 HD22 ASN 79 173.334 10.928 8.263 637 H LYS 80 HN LYS 80 177.444 7.023 8.589 638 HA LYS 80 HA LYS 80 179.531 7.011 10.458 639 1HB LYS 80 HB2 LYS 80 178.308 4.734 8.890 640 2HB LYS 80 HB1 LYS 80 179.412 4.520 10.241 641 1HG LYS 80 HG2 LYS 80 176.906 6.113 10.579 642 2HG LYS 80 HG1 LYS 80 176.869 4.349 10.645 643 1HD LYS 80 HD2 LYS 80 177.917 4.273 12.643 644 2HD LYS 80 HD1 LYS 80 178.975 5.633 12.254 645 1HE LYS 80 HE2 LYS 80 176.097 5.758 13.142 646 2HE LYS 80 HE1 LYS 80 177.515 6.264 14.059 647 1HZ LYS 80 HZ1 LYS 80 177.799 7.740 11.869 648 2HZ LYS 80 HZ2 LYS 80 176.952 8.266 13.236 649 3HZ LYS 80 HZ3 LYS 80 176.110 7.627 11.915 650 H LEU 81 HN LEU 81 179.503 6.508 7.001 651 HA LEU 81 HA LEU 81 182.082 5.358 6.766 652 1HB LEU 81 HB2 LEU 81 180.157 6.680 4.909 653 2HB LEU 81 HB1 LEU 81 181.817 6.480 4.378 654 HG LEU 81 HG LEU 81 180.006 4.238 5.270 655 1HD1 LEU 81 HD11 LEU 81 180.790 4.012 2.560 656 2HD1 LEU 81 HD12 LEU 81 180.146 5.636 2.797 657 3HD1 LEU 81 HD13 LEU 81 179.168 4.232 3.218 658 1HD2 LEU 81 HD21 LEU 81 181.766 2.873 5.208 659 2HD2 LEU 81 HD22 LEU 81 182.768 4.323 5.221 660 3HD2 LEU 81 HD23 LEU 81 182.343 3.560 3.690 661 H GLU 82 HN GLU 82 180.901 8.694 6.414 662 HA GLU 82 HA GLU 82 183.266 9.945 5.722 663 1HB GLU 82 HB2 GLU 82 180.993 10.996 5.814 664 2HB GLU 82 HB1 GLU 82 181.165 11.099 7.561 665 1HG GLU 82 HG2 GLU 82 183.476 12.239 6.359 666 2HG GLU 82 HG1 GLU 82 182.044 12.922 5.590 667 H ARG 83 HN ARG 83 181.933 9.813 9.035 668 HA ARG 83 HA ARG 83 184.143 10.832 10.355 669 1HB ARG 83 HB2 ARG 83 183.273 9.287 12.294 670 2HB ARG 83 HB1 ARG 83 182.319 10.657 11.744 671 1HG ARG 83 HG2 ARG 83 180.690 9.356 10.879 672 2HG ARG 83 HG1 ARG 83 181.810 8.083 10.396 673 1HD ARG 83 HD2 ARG 83 180.144 7.590 12.289 674 2HD ARG 83 HD1 ARG 83 181.825 7.123 12.518 675 HE ARG 83 HE ARG 83 180.426 9.324 13.844 676 1HH1 ARG 83 HH11 ARG 83 183.353 7.453 13.437 677 2HH1 ARG 83 HH12 ARG 83 184.068 8.031 14.902 678 1HH2 ARG 83 HH21 ARG 83 181.376 10.080 15.767 679 2HH2 ARG 83 HH22 ARG 83 182.950 9.519 16.223 680 H GLN 84 HN GLN 84 183.506 7.518 9.340 681 HA GLN 84 HA GLN 84 185.793 6.414 10.653 682 1HB GLN 84 HB2 GLN 84 183.897 5.393 8.552 683 2HB GLN 84 HB1 GLN 84 185.307 4.464 9.040 684 1HG GLN 84 HG2 GLN 84 184.509 4.349 11.305 685 2HG GLN 84 HG1 GLN 84 183.158 5.414 10.921 686 1HE2 GLN 84 HE21 GLN 84 182.159 4.449 8.648 687 2HE2 GLN 84 HE22 GLN 84 181.611 2.822 8.844 688 H LEU 85 HN LEU 85 185.117 7.674 7.443 689 HA LEU 85 HA LEU 85 187.473 6.762 6.187 690 1HB LEU 85 HB2 LEU 85 185.212 8.063 5.365 691 2HB LEU 85 HB1 LEU 85 186.413 9.333 5.242 692 HG LEU 85 HG LEU 85 186.858 6.637 3.990 693 1HD1 LEU 85 HD11 LEU 85 185.148 8.881 3.055 694 2HD1 LEU 85 HD12 LEU 85 184.957 7.141 2.835 695 3HD1 LEU 85 HD13 LEU 85 186.138 8.027 1.870 696 1HD2 LEU 85 HD21 LEU 85 188.000 8.650 2.468 697 2HD2 LEU 85 HD22 LEU 85 188.835 7.581 3.593 698 3HD2 LEU 85 HD23 LEU 85 188.273 9.164 4.132 699 H ASN 86 HN ASN 86 186.665 9.849 7.747 700 HA ASN 86 HA ASN 86 189.123 11.119 7.282 701 1HB ASN 86 HB2 ASN 86 187.137 11.511 9.532 702 2HB ASN 86 HB1 ASN 86 188.475 12.600 9.179 703 1HD2 ASN 86 HD21 ASN 86 185.282 12.235 8.821 704 2HD2 ASN 86 HD22 ASN 86 185.022 13.146 7.377 705 H LYS 87 HN LYS 87 187.989 9.147 9.996 706 HA LYS 87 HA LYS 87 190.365 9.413 11.533 707 1HB LYS 87 HB2 LYS 87 188.382 8.818 12.696 708 2HB LYS 87 HB1 LYS 87 188.057 7.477 11.609 709 1HG LYS 87 HG2 LYS 87 190.571 7.408 13.185 710 2HG LYS 87 HG1 LYS 87 189.048 7.111 14.027 711 1HD LYS 87 HD2 LYS 87 189.223 5.660 11.515 712 2HD LYS 87 HD1 LYS 87 190.538 5.250 12.619 713 1HE LYS 87 HE2 LYS 87 188.810 3.739 13.127 714 2HE LYS 87 HE1 LYS 87 188.748 4.958 14.397 715 1HZ LYS 87 HZ1 LYS 87 186.596 5.089 13.885 716 2HZ LYS 87 HZ2 LYS 87 186.787 4.289 12.408 717 3HZ LYS 87 HZ3 LYS 87 187.079 5.952 12.512 718 H LEU 88 HN LEU 88 189.138 6.852 9.396 719 HA LEU 88 HA LEU 88 191.372 5.143 9.714 720 1HB LEU 88 HB2 LEU 88 189.046 4.557 8.859 721 2HB LEU 88 HB1 LEU 88 189.544 5.234 7.322 722 HG LEU 88 HG LEU 88 189.676 2.675 7.678 723 1HD1 LEU 88 HD11 LEU 88 192.039 4.190 6.582 724 2HD1 LEU 88 HD12 LEU 88 190.539 3.848 5.721 725 3HD1 LEU 88 HD13 LEU 88 191.603 2.525 6.200 726 1HD2 LEU 88 HD21 LEU 88 190.909 2.885 9.847 727 2HD2 LEU 88 HD22 LEU 88 192.309 3.438 8.928 728 3HD2 LEU 88 HD23 LEU 88 191.667 1.817 8.666 729 H GLN 89 HN GLN 89 190.601 7.706 7.428 730 HA GLN 89 HA GLN 89 192.832 7.200 5.715 731 1HB GLN 89 HB2 GLN 89 190.717 8.371 5.027 732 2HB GLN 89 HB1 GLN 89 191.245 9.754 5.977 733 1HG GLN 89 HG2 GLN 89 192.133 10.462 4.057 734 2HG GLN 89 HG1 GLN 89 193.426 9.322 4.426 735 1HE2 GLN 89 HE21 GLN 89 191.134 10.249 2.184 736 2HE2 GLN 89 HE22 GLN 89 191.181 8.857 1.164 737 H HIS 90 HN HIS 90 192.281 9.123 8.572 738 HA HIS 90 HA HIS 90 194.262 11.007 8.483 739 1HB HIS 90 HB2 HIS 90 193.027 9.438 10.695 740 2HB HIS 90 HB1 HIS 90 194.453 10.403 11.064 741 HD1 HIS 90 HD1 HIS 90 191.726 11.089 12.305 742 HD2 HIS 90 HD2 HIS 90 193.187 12.785 8.803 743 HE1 HIS 90 HE1 HIS 90 190.510 13.278 12.060 744 HE2 HIS 90 HE2 HIS 90 191.334 14.235 9.880 745 H LYS 91 HN LYS 91 196.301 10.760 7.860 746 HA LYS 91 HA LYS 91 198.462 10.061 7.788 747 1HB LYS 91 HB2 LYS 91 197.706 9.696 10.430 748 2HB LYS 91 HB1 LYS 91 198.383 8.137 9.982 749 1HG LYS 91 HG2 LYS 91 200.401 8.968 10.338 750 2HG LYS 91 HG1 LYS 91 200.155 10.059 8.973 751 1HD LYS 91 HD2 LYS 91 200.680 11.505 10.718 752 2HD LYS 91 HD1 LYS 91 198.917 11.549 10.681 753 1HE LYS 91 HE2 LYS 91 199.219 11.232 12.915 754 2HE LYS 91 HE1 LYS 91 199.203 9.547 12.393 755 1HZ LYS 91 HZ1 LYS 91 201.278 9.289 13.092 756 2HZ LYS 91 HZ2 LYS 91 201.200 10.827 13.788 757 3HZ LYS 91 HZ3 LYS 91 201.821 10.638 12.226 758 H GLY 92 HN GLY 92 197.878 8.971 5.816 759 1HA GLY 92 HA2 GLY 92 198.219 6.065 6.065 760 2HA GLY 92 HA1 GLY 92 196.869 6.680 5.120 761 H GLU 93 HN GLU 93 199.565 5.204 4.606 762 HA GLU 93 HA GLU 93 200.554 6.974 2.479 763 1HB GLU 93 HB2 GLU 93 202.556 5.542 2.459 764 2HB GLU 93 HB1 GLU 93 202.265 6.240 4.046 765 1HG GLU 93 HG2 GLU 93 201.078 3.588 3.584 766 2HG GLU 93 HG1 GLU 93 202.839 3.649 3.616 767 H ALA 94 HN ALA 94 198.104 5.547 2.167 768 HA ALA 94 HA ALA 94 196.997 4.272 0.642 769 1HB ALA 94 HB1 ALA 94 198.807 5.641 -0.776 770 2HB ALA 94 HB2 ALA 94 197.686 4.490 -1.504 771 3HB ALA 94 HB3 ALA 94 199.341 3.999 -1.139 772 H ARG 95 HN ARG 95 197.726 2.218 -1.024 773 HA ARG 95 HA ARG 95 199.290 0.304 0.505 774 1HB ARG 95 HB2 ARG 95 197.054 0.098 1.485 775 2HB ARG 95 HB1 ARG 95 196.363 -0.151 -0.112 776 1HG ARG 95 HG2 ARG 95 197.863 -2.189 -0.285 777 2HG ARG 95 HG1 ARG 95 198.162 -1.984 1.442 778 1HD ARG 95 HD2 ARG 95 196.360 -3.598 0.985 779 2HD ARG 95 HD1 ARG 95 195.799 -2.207 1.912 780 HE ARG 95 HE ARG 95 195.387 -1.731 -0.831 781 1HH1 ARG 95 HH11 ARG 95 194.166 -3.706 1.775 782 2HH1 ARG 95 HH12 ARG 95 192.577 -3.837 1.098 783 1HH2 ARG 95 HH21 ARG 95 193.300 -1.902 -1.722 784 2HH2 ARG 95 HH22 ARG 95 192.085 -2.812 -0.889 785 H ARG 96 HN ARG 96 199.930 -1.522 -0.695 786 HA ARG 96 HA ARG 96 200.505 -1.123 -3.371 787 1HB ARG 96 HB2 ARG 96 200.959 -3.588 -3.446 788 2HB ARG 96 HB1 ARG 96 201.746 -2.742 -2.121 789 1HG ARG 96 HG2 ARG 96 200.943 -4.685 -1.140 790 2HG ARG 96 HG1 ARG 96 199.731 -3.475 -0.715 791 1HD ARG 96 HD2 ARG 96 198.159 -4.348 -2.145 792 2HD ARG 96 HD1 ARG 96 199.369 -5.058 -3.212 793 HE ARG 96 HE ARG 96 199.225 -6.974 -1.992 794 1HH1 ARG 96 HH11 ARG 96 198.077 -4.337 -0.014 795 2HH1 ARG 96 HH12 ARG 96 197.601 -5.363 1.298 796 1HH2 ARG 96 HH21 ARG 96 198.599 -8.326 -0.267 797 2HH2 ARG 96 HH22 ARG 96 197.897 -7.626 1.154 798 H ALA 97 HN ALA 97 199.760 -2.289 -5.280 799 HA ALA 97 HA ALA 97 196.951 -3.144 -5.144 800 1HB ALA 97 HB1 ALA 97 196.407 -1.166 -6.057 801 2HB ALA 97 HB2 ALA 97 196.999 -1.890 -7.551 802 3HB ALA 97 HB3 ALA 97 198.054 -0.845 -6.598 803 H ALA 98 HN ALA 98 199.141 -2.616 -7.888 804 HA ALA 98 HA ALA 98 199.918 -4.011 -9.510 805 1HB ALA 98 HB1 ALA 98 201.304 -5.250 -8.235 806 2HB ALA 98 HB2 ALA 98 200.125 -6.523 -8.553 807 3HB ALA 98 HB3 ALA 98 200.055 -5.615 -7.042 808 H THR 99 HN THR 99 198.476 -4.218 -11.105 809 HA THR 99 HA THR 99 195.900 -5.296 -10.862 810 HB THR 99 HB THR 99 197.600 -5.046 -13.351 811 HG1 THR 99 HG1 THR 99 195.684 -3.240 -12.304 812 1HG2 THR 99 HG21 THR 99 195.571 -4.968 -14.605 813 2HG2 THR 99 HG22 THR 99 194.603 -5.085 -13.135 814 3HG2 THR 99 HG23 THR 99 195.587 -6.453 -13.653 815 H SER 100 HN SER 100 198.972 -6.817 -11.347 816 HA SER 100 HA SER 100 197.958 -9.268 -12.420 817 1HB SER 100 HB2 SER 100 200.583 -9.092 -10.983 818 2HB SER 100 HB1 SER 100 200.163 -10.008 -12.430 819 HG SER 100 HG SER 100 200.456 -8.268 -13.642 820 H VAL 101 HN VAL 101 196.246 -9.130 -10.561 821 HA VAL 101 HA VAL 101 197.236 -10.404 -8.123 822 HB VAL 101 HB VAL 101 194.587 -10.165 -7.638 823 1HG1 VAL 101 HG11 VAL 101 195.474 -7.707 -6.855 824 2HG1 VAL 101 HG12 VAL 101 196.983 -8.597 -7.054 825 3HG1 VAL 101 HG13 VAL 101 195.734 -9.211 -5.973 826 1HG2 VAL 101 HG21 VAL 101 194.406 -9.030 -9.947 827 2HG2 VAL 101 HG22 VAL 101 195.157 -7.643 -9.159 828 3HG2 VAL 101 HG23 VAL 101 193.616 -8.262 -8.570 829 H LYS 102 HN LYS 102 194.085 -10.892 -9.670 830 HA LYS 102 HA LYS 102 194.423 -13.767 -9.348 831 1HB LYS 102 HB2 LYS 102 192.048 -12.022 -9.967 832 2HB LYS 102 HB1 LYS 102 191.972 -13.775 -10.063 833 1HG LYS 102 HG2 LYS 102 192.725 -12.225 -7.595 834 2HG LYS 102 HG1 LYS 102 191.121 -12.876 -7.934 835 1HD LYS 102 HD2 LYS 102 192.869 -15.019 -8.312 836 2HD LYS 102 HD1 LYS 102 193.459 -14.196 -6.867 837 1HE LYS 102 HE2 LYS 102 190.863 -14.196 -6.290 838 2HE LYS 102 HE1 LYS 102 190.894 -15.609 -7.344 839 1HZ LYS 102 HZ1 LYS 102 191.228 -16.133 -4.970 840 2HZ LYS 102 HZ2 LYS 102 192.666 -15.242 -4.991 841 3HZ LYS 102 HZ3 LYS 102 192.520 -16.633 -5.943 842 H ASP 103 HN ASP 103 195.636 -11.989 -11.563 843 HA ASP 103 HA ASP 103 194.410 -12.793 -13.995 844 1HB ASP 103 HB2 ASP 103 197.188 -11.750 -13.412 845 2HB ASP 103 HB1 ASP 103 196.547 -12.001 -15.033 846 H ALA 104 HN ALA 104 195.141 -14.308 -15.534 847 HA ALA 104 HA ALA 104 195.825 -16.822 -14.540 848 1HB ALA 104 HB1 ALA 104 194.673 -16.519 -16.661 849 2HB ALA 104 HB2 ALA 104 196.139 -17.477 -16.882 850 3HB ALA 104 HB3 ALA 104 196.117 -15.778 -17.355 851 H ASN 105 HN ASN 105 197.773 -18.062 -15.667 852 HA ASN 105 HA ASN 105 200.167 -16.710 -14.704 853 1HB ASN 105 HB2 ASN 105 201.220 -18.878 -14.733 854 2HB ASN 105 HB1 ASN 105 199.635 -19.043 -13.986 855 1HD2 ASN 105 HD21 ASN 105 201.648 -19.889 -16.645 856 2HD2 ASN 105 HD22 ASN 105 200.567 -21.015 -17.385 857 H PHE 106 HN PHE 106 198.844 -18.081 -17.666 858 HA PHE 106 HA PHE 106 201.155 -17.888 -19.248 859 1HB PHE 106 HB2 PHE 106 199.747 -18.242 -21.123 860 2HB PHE 106 HB1 PHE 106 199.005 -19.126 -19.795 861 HD1 PHE 106 HD1 PHE 106 197.067 -18.011 -18.567 862 HD2 PHE 106 HD2 PHE 106 198.539 -16.662 -22.325 863 HE1 PHE 106 HE1 PHE 106 194.948 -16.828 -18.969 864 HE2 PHE 106 HE2 PHE 106 196.424 -15.475 -22.733 865 HZ PHE 106 HZ PHE 106 194.623 -15.557 -21.054 866 H VAL 107 HN VAL 107 201.854 -16.329 -20.718 867 HA VAL 107 HA VAL 107 200.934 -13.608 -20.101 868 HB VAL 107 HB VAL 107 203.463 -14.053 -21.613 869 1HG1 VAL 107 HG11 VAL 107 203.286 -12.250 -19.284 870 2HG1 VAL 107 HG12 VAL 107 202.249 -11.854 -20.655 871 3HG1 VAL 107 HG13 VAL 107 203.994 -11.983 -20.878 872 1HG2 VAL 107 HG21 VAL 107 204.744 -14.460 -19.589 873 2HG2 VAL 107 HG22 VAL 107 203.565 -15.749 -19.832 874 3HG2 VAL 107 HG23 VAL 107 203.262 -14.493 -18.633 875 H GLU 108 HN GLU 108 202.479 -12.734 -22.610 876 HA GLU 108 HA GLU 108 202.074 -12.296 -24.800 877 1HB GLU 108 HB2 GLU 108 200.097 -14.533 -24.990 878 2HB GLU 108 HB1 GLU 108 201.216 -13.939 -26.203 879 1HG GLU 108 HG2 GLU 108 201.868 -15.619 -23.796 880 2HG GLU 108 HG1 GLU 108 201.943 -16.093 -25.490 881 H GLU 109 HN GLU 109 200.791 -10.821 -25.710 882 HA GLU 109 HA GLU 109 198.236 -10.260 -24.406 883 1HB GLU 109 HB2 GLU 109 200.222 -8.657 -25.931 884 2HB GLU 109 HB1 GLU 109 198.538 -8.158 -26.024 885 1HG GLU 109 HG2 GLU 109 199.734 -6.967 -24.270 886 2HG GLU 109 HG1 GLU 109 198.437 -7.963 -23.607 887 H VAL 110 HN VAL 110 196.390 -10.848 -25.327 888 HA VAL 110 HA VAL 110 196.345 -11.860 -28.024 889 HB VAL 110 HB VAL 110 193.881 -12.185 -27.556 890 1HG1 VAL 110 HG11 VAL 110 195.141 -13.584 -25.330 891 2HG1 VAL 110 HG12 VAL 110 196.071 -13.670 -26.827 892 3HG1 VAL 110 HG13 VAL 110 194.395 -14.222 -26.796 893 1HG2 VAL 110 HG21 VAL 110 194.322 -11.869 -24.672 894 2HG2 VAL 110 HG22 VAL 110 192.907 -11.492 -25.653 895 3HG2 VAL 110 HG23 VAL 110 194.256 -10.360 -25.581 896 H GLU 111 HN GLU 111 196.073 -8.811 -26.706 897 HA GLU 111 HA GLU 111 194.191 -7.838 -28.715 898 1HB GLU 111 HB2 GLU 111 194.543 -5.634 -27.477 899 2HB GLU 111 HB1 GLU 111 193.723 -6.919 -26.600 900 1HG GLU 111 HG2 GLU 111 195.686 -7.417 -25.345 901 2HG GLU 111 HG1 GLU 111 196.663 -6.341 -26.343 902 H GLU 112 HN GLU 112 197.466 -8.355 -28.451 903 HA GLU 112 HA GLU 112 198.110 -7.123 -30.873 904 1HB GLU 112 HB2 GLU 112 197.905 -5.216 -28.916 905 2HB GLU 112 HB1 GLU 112 199.621 -5.592 -28.870 906 1HG GLU 112 HG2 GLU 112 199.751 -5.152 -31.290 907 2HG GLU 112 HG1 GLU 112 198.048 -4.699 -31.276 908 H GLU 113 HN GLU 113 198.979 -9.265 -30.988 909 HA GLU 113 HA GLU 113 200.982 -10.239 -29.265 910 1HB GLU 113 HB2 GLU 113 200.220 -10.931 -32.097 911 2HB GLU 113 HB1 GLU 113 201.515 -11.762 -31.247 912 1HG GLU 113 HG2 GLU 113 199.869 -13.178 -30.688 913 2HG GLU 113 HG1 GLU 113 199.562 -11.988 -29.425 Start of MODEL 10 1 1H MET 1 HT1 MET 1 186.785 -0.672 -7.261 2 2H MET 1 HT2 MET 1 188.386 -1.263 -7.095 3 3H MET 1 HT3 MET 1 187.054 -2.259 -6.675 4 HA MET 1 HA MET 1 187.338 -1.196 -9.380 5 1HB MET 1 HB2 MET 1 189.399 -2.510 -8.291 6 2HB MET 1 HB1 MET 1 188.405 -3.896 -8.718 7 1HG MET 1 HG2 MET 1 188.278 -2.662 -11.038 8 2HG MET 1 HG1 MET 1 189.775 -1.928 -10.469 9 1HE MET 1 HE1 MET 1 189.027 -6.006 -9.607 10 2HE MET 1 HE2 MET 1 188.853 -6.271 -11.343 11 3HE MET 1 HE3 MET 1 187.831 -5.090 -10.524 12 H THR 2 HN THR 2 186.519 -3.988 -7.311 13 HA THR 2 HA THR 2 184.557 -4.913 -9.225 14 HB THR 2 HB THR 2 184.597 -6.113 -6.529 15 HG1 THR 2 HG1 THR 2 186.887 -6.023 -8.176 16 1HG2 THR 2 HG21 THR 2 184.076 -6.935 -9.215 17 2HG2 THR 2 HG22 THR 2 183.741 -7.773 -7.700 18 3HG2 THR 2 HG23 THR 2 185.304 -7.973 -8.493 19 H MET 3 HN MET 3 182.488 -5.836 -7.840 20 HA MET 3 HA MET 3 181.387 -3.780 -6.115 21 1HB MET 3 HB2 MET 3 180.801 -3.865 -8.930 22 2HB MET 3 HB1 MET 3 179.344 -4.234 -8.017 23 1HG MET 3 HG2 MET 3 180.886 -1.948 -7.019 24 2HG MET 3 HG1 MET 3 180.193 -1.742 -8.625 25 1HE MET 3 HE1 MET 3 178.768 0.248 -7.888 26 2HE MET 3 HE2 MET 3 177.080 -0.106 -7.518 27 3HE MET 3 HE3 MET 3 177.836 -0.811 -8.948 28 H ASN 4 HN ASN 4 181.061 -5.234 -4.494 29 HA ASN 4 HA ASN 4 179.519 -7.655 -5.109 30 1HB ASN 4 HB2 ASN 4 181.085 -6.975 -2.614 31 2HB ASN 4 HB1 ASN 4 180.305 -8.515 -2.963 32 1HD2 ASN 4 HD21 ASN 4 182.754 -8.886 -2.399 33 2HD2 ASN 4 HD22 ASN 4 183.772 -9.084 -3.780 34 H ILE 5 HN ILE 5 177.480 -7.845 -4.524 35 HA ILE 5 HA ILE 5 176.439 -6.288 -2.272 36 HB ILE 5 HB ILE 5 175.042 -6.423 -4.949 37 1HG1 ILE 5 HG12 ILE 5 175.520 -3.750 -4.240 38 2HG1 ILE 5 HG11 ILE 5 177.036 -4.587 -3.924 39 1HG2 ILE 5 HG21 ILE 5 174.305 -5.232 -2.297 40 2HG2 ILE 5 HG22 ILE 5 173.377 -6.335 -3.311 41 3HG2 ILE 5 HG23 ILE 5 173.591 -4.656 -3.804 42 1HD1 ILE 5 HD11 ILE 5 177.487 -4.361 -6.077 43 2HD1 ILE 5 HD12 ILE 5 175.850 -3.809 -6.426 44 3HD1 ILE 5 HD13 ILE 5 176.211 -5.535 -6.400 45 H THR 6 HN THR 6 175.494 -7.677 -0.915 46 HA THR 6 HA THR 6 173.937 -9.898 -2.030 47 HB THR 6 HB THR 6 175.250 -10.799 0.352 48 HG1 THR 6 HG1 THR 6 177.381 -10.725 -0.347 49 1HG2 THR 6 HG21 THR 6 176.358 -12.123 -1.838 50 2HG2 THR 6 HG22 THR 6 174.693 -11.752 -2.289 51 3HG2 THR 6 HG23 THR 6 175.027 -12.658 -0.812 52 H SER 7 HN SER 7 171.952 -9.254 -1.391 53 HA SER 7 HA SER 7 171.545 -8.300 1.338 54 1HB SER 7 HB2 SER 7 169.801 -8.391 -1.118 55 2HB SER 7 HB1 SER 7 169.134 -8.035 0.476 56 HG SER 7 HG SER 7 171.207 -6.605 -0.833 57 H LYS 8 HN LYS 8 170.029 -9.303 2.778 58 HA LYS 8 HA LYS 8 170.062 -12.173 2.577 59 1HB LYS 8 HB2 LYS 8 169.344 -10.192 4.667 60 2HB LYS 8 HB1 LYS 8 168.609 -11.783 4.787 61 1HG LYS 8 HG2 LYS 8 170.678 -11.585 6.097 62 2HG LYS 8 HG1 LYS 8 170.778 -12.831 4.852 63 1HD LYS 8 HD2 LYS 8 171.861 -11.030 3.394 64 2HD LYS 8 HD1 LYS 8 172.044 -10.106 4.886 65 1HE LYS 8 HE2 LYS 8 174.041 -11.195 4.900 66 2HE LYS 8 HE1 LYS 8 173.065 -12.406 5.731 67 1HZ LYS 8 HZ1 LYS 8 173.714 -13.812 4.160 68 2HZ LYS 8 HZ2 LYS 8 174.408 -12.584 3.229 69 3HZ LYS 8 HZ3 LYS 8 172.765 -12.950 3.055 70 H GLN 9 HN GLN 9 167.231 -10.464 3.812 71 HA GLN 9 HA GLN 9 165.604 -11.975 1.878 72 1HB GLN 9 HB2 GLN 9 163.816 -11.957 3.509 73 2HB GLN 9 HB1 GLN 9 165.278 -12.593 4.249 74 1HG GLN 9 HG2 GLN 9 164.615 -9.698 4.530 75 2HG GLN 9 HG1 GLN 9 163.790 -10.892 5.529 76 1HE2 GLN 9 HE21 GLN 9 166.251 -8.794 5.523 77 2HE2 GLN 9 HE22 GLN 9 167.317 -9.559 6.647 78 H MET 10 HN MET 10 166.657 -9.594 0.990 79 HA MET 10 HA MET 10 164.291 -8.187 0.265 80 1HB MET 10 HB2 MET 10 164.615 -7.196 2.482 81 2HB MET 10 HB1 MET 10 166.256 -6.737 2.046 82 1HG MET 10 HG2 MET 10 164.642 -4.873 1.936 83 2HG MET 10 HG1 MET 10 165.456 -5.190 0.406 84 1HE MET 10 HE1 MET 10 161.050 -5.370 1.384 85 2HE MET 10 HE2 MET 10 162.087 -3.946 1.477 86 3HE MET 10 HE3 MET 10 162.392 -5.329 2.528 87 H GLU 11 HN GLU 11 164.757 -8.174 -1.842 88 HA GLU 11 HA GLU 11 167.292 -8.031 -2.993 89 1HB GLU 11 HB2 GLU 11 164.644 -7.164 -4.170 90 2HB GLU 11 HB1 GLU 11 166.114 -7.468 -5.088 91 1HG GLU 11 HG2 GLU 11 165.737 -9.651 -5.144 92 2HG GLU 11 HG1 GLU 11 165.425 -9.717 -3.409 93 H ILE 12 HN ILE 12 167.542 -6.106 -4.794 94 HA ILE 12 HA ILE 12 167.995 -3.744 -3.150 95 HB ILE 12 HB ILE 12 168.802 -3.936 -6.030 96 1HG1 ILE 12 HG12 ILE 12 169.583 -6.033 -5.157 97 2HG1 ILE 12 HG11 ILE 12 170.964 -4.946 -5.236 98 1HG2 ILE 12 HG21 ILE 12 169.804 -2.021 -5.543 99 2HG2 ILE 12 HG22 ILE 12 170.785 -2.841 -4.328 100 3HG2 ILE 12 HG23 ILE 12 169.235 -2.130 -3.877 101 1HD1 ILE 12 HD11 ILE 12 171.318 -5.763 -3.168 102 2HD1 ILE 12 HD12 ILE 12 169.615 -6.137 -2.903 103 3HD1 ILE 12 HD13 ILE 12 170.194 -4.480 -2.722 104 H THR 13 HN THR 13 166.342 -2.382 -3.000 105 HA THR 13 HA THR 13 164.300 -2.132 -4.965 106 HB THR 13 HB THR 13 163.353 -0.468 -3.541 107 HG1 THR 13 HG1 THR 13 164.513 0.853 -2.391 108 1HG2 THR 13 HG21 THR 13 163.405 -1.424 -1.322 109 2HG2 THR 13 HG22 THR 13 164.840 -2.361 -1.738 110 3HG2 THR 13 HG23 THR 13 163.305 -2.695 -2.540 111 HA PRO 14 HA PRO 14 165.763 0.838 -7.863 112 1HB PRO 14 HB2 PRO 14 163.740 2.764 -7.690 113 2HB PRO 14 HB1 PRO 14 163.737 1.349 -8.746 114 1HG PRO 14 HG2 PRO 14 162.429 1.740 -6.095 115 2HG PRO 14 HG1 PRO 14 161.850 0.853 -7.516 116 1HD PRO 14 HD2 PRO 14 162.826 -0.436 -5.389 117 2HD PRO 14 HD1 PRO 14 163.156 -1.011 -7.036 118 H ALA 15 HN ALA 15 164.474 2.234 -4.865 119 HA ALA 15 HA ALA 15 165.924 4.661 -5.033 120 1HB ALA 15 HB1 ALA 15 163.972 3.581 -3.349 121 2HB ALA 15 HB2 ALA 15 164.664 5.201 -3.282 122 3HB ALA 15 HB3 ALA 15 165.360 3.904 -2.310 123 H ILE 16 HN ILE 16 166.474 1.695 -3.142 124 HA ILE 16 HA ILE 16 168.861 2.471 -1.927 125 HB ILE 16 HB ILE 16 168.040 -0.324 -2.733 126 1HG1 ILE 16 HG12 ILE 16 167.713 0.881 -0.001 127 2HG1 ILE 16 HG11 ILE 16 166.490 1.148 -1.241 128 1HG2 ILE 16 HG21 ILE 16 170.462 0.044 -2.101 129 2HG2 ILE 16 HG22 ILE 16 169.583 -1.141 -1.138 130 3HG2 ILE 16 HG23 ILE 16 169.883 0.472 -0.492 131 1HD1 ILE 16 HD11 ILE 16 166.950 -1.149 0.426 132 2HD1 ILE 16 HD12 ILE 16 166.954 -1.590 -1.281 133 3HD1 ILE 16 HD13 ILE 16 165.565 -0.751 -0.589 134 H ARG 17 HN ARG 17 168.360 0.691 -4.979 135 HA ARG 17 HA ARG 17 171.052 0.289 -5.589 136 1HB ARG 17 HB2 ARG 17 170.371 -0.285 -7.766 137 2HB ARG 17 HB1 ARG 17 169.010 -0.713 -6.743 138 1HG ARG 17 HG2 ARG 17 167.700 1.028 -7.536 139 2HG ARG 17 HG1 ARG 17 169.089 1.936 -8.134 140 1HD ARG 17 HD2 ARG 17 167.847 0.961 -9.981 141 2HD ARG 17 HD1 ARG 17 169.451 0.243 -9.861 142 HE ARG 17 HE ARG 17 168.472 -1.749 -9.047 143 1HH1 ARG 17 HH11 ARG 17 166.097 0.642 -9.986 144 2HH1 ARG 17 HH12 ARG 17 164.812 -0.512 -10.106 145 1HH2 ARG 17 HH21 ARG 17 166.776 -3.253 -9.203 146 2HH2 ARG 17 HH22 ARG 17 165.194 -2.716 -9.659 147 H GLN 18 HN GLN 18 168.977 3.072 -6.121 148 HA GLN 18 HA GLN 18 170.903 4.485 -7.714 149 1HB GLN 18 HB2 GLN 18 168.275 5.192 -6.453 150 2HB GLN 18 HB1 GLN 18 169.303 6.453 -7.117 151 1HG GLN 18 HG2 GLN 18 168.109 4.117 -8.586 152 2HG GLN 18 HG1 GLN 18 167.692 5.820 -8.763 153 1HE2 GLN 18 HE21 GLN 18 169.061 3.484 -10.382 154 2HE2 GLN 18 HE22 GLN 18 170.323 4.322 -11.213 155 H HIS 19 HN HIS 19 169.897 4.508 -4.329 156 HA HIS 19 HA HIS 19 171.400 6.751 -3.520 157 1HB HIS 19 HB2 HIS 19 169.842 4.653 -2.249 158 2HB HIS 19 HB1 HIS 19 171.273 5.054 -1.304 159 HD1 HIS 19 HD1 HIS 19 169.016 7.404 -3.263 160 HD2 HIS 19 HD2 HIS 19 170.256 6.666 0.634 161 HE1 HIS 19 HE1 HIS 19 168.018 9.250 -1.875 162 HE2 HIS 19 HE2 HIS 19 168.715 8.733 0.488 163 H VAL 20 HN VAL 20 172.151 3.282 -3.506 164 HA VAL 20 HA VAL 20 174.746 3.610 -2.372 165 HB VAL 20 HB VAL 20 173.720 1.267 -3.981 166 1HG1 VAL 20 HG11 VAL 20 176.118 1.217 -3.690 167 2HG1 VAL 20 HG12 VAL 20 175.374 -0.005 -2.658 168 3HG1 VAL 20 HG13 VAL 20 175.946 1.510 -1.959 169 1HG2 VAL 20 HG21 VAL 20 172.834 0.331 -2.028 170 2HG2 VAL 20 HG22 VAL 20 172.321 2.018 -1.970 171 3HG2 VAL 20 HG23 VAL 20 173.680 1.474 -0.987 172 H ALA 21 HN ALA 21 173.620 2.918 -5.683 173 HA ALA 21 HA ALA 21 176.108 2.841 -6.928 174 1HB ALA 21 HB1 ALA 21 174.805 3.535 -8.998 175 2HB ALA 21 HB2 ALA 21 173.386 3.599 -7.951 176 3HB ALA 21 HB3 ALA 21 174.256 2.080 -8.164 177 H ASP 22 HN ASP 22 173.980 5.601 -6.292 178 HA ASP 22 HA ASP 22 175.448 7.542 -7.679 179 1HB ASP 22 HB2 ASP 22 173.151 7.893 -6.839 180 2HB ASP 22 HB1 ASP 22 173.766 7.903 -5.189 181 H ARG 23 HN ARG 23 175.543 6.653 -4.234 182 HA ARG 23 HA ARG 23 177.658 8.426 -3.586 183 1HB ARG 23 HB2 ARG 23 176.020 6.482 -2.224 184 2HB ARG 23 HB1 ARG 23 177.701 6.302 -1.740 185 1HG ARG 23 HG2 ARG 23 176.964 7.826 -0.207 186 2HG ARG 23 HG1 ARG 23 177.592 8.896 -1.460 187 1HD ARG 23 HD2 ARG 23 174.901 8.305 -2.113 188 2HD ARG 23 HD1 ARG 23 174.948 8.729 -0.402 189 HE ARG 23 HE ARG 23 175.421 10.475 -2.640 190 1HH1 ARG 23 HH11 ARG 23 175.977 9.963 0.766 191 2HH1 ARG 23 HH12 ARG 23 176.229 11.642 1.105 192 1HH2 ARG 23 HH21 ARG 23 175.755 12.684 -2.196 193 2HH2 ARG 23 HH22 ARG 23 176.102 13.187 -0.577 194 H LEU 24 HN LEU 24 177.577 4.927 -4.223 195 HA LEU 24 HA LEU 24 180.260 4.358 -3.814 196 1HB LEU 24 HB2 LEU 24 178.312 2.770 -4.312 197 2HB LEU 24 HB1 LEU 24 178.635 3.093 -6.006 198 HG LEU 24 HG LEU 24 180.844 2.140 -5.831 199 1HD1 LEU 24 HD11 LEU 24 181.738 2.638 -3.784 200 2HD1 LEU 24 HD12 LEU 24 181.301 0.946 -3.536 201 3HD1 LEU 24 HD13 LEU 24 180.260 2.227 -2.914 202 1HD2 LEU 24 HD21 LEU 24 179.295 0.109 -4.338 203 2HD2 LEU 24 HD22 LEU 24 180.180 -0.027 -5.857 204 3HD2 LEU 24 HD23 LEU 24 178.583 0.721 -5.830 205 H ALA 25 HN ALA 25 178.699 5.938 -6.497 206 HA ALA 25 HA ALA 25 180.878 5.692 -8.327 207 1HB ALA 25 HB1 ALA 25 178.702 7.772 -8.392 208 2HB ALA 25 HB2 ALA 25 178.481 6.116 -8.956 209 3HB ALA 25 HB3 ALA 25 179.661 7.165 -9.741 210 H LYS 26 HN LYS 26 179.638 8.419 -6.392 211 HA LYS 26 HA LYS 26 181.762 10.172 -7.016 212 1HB LYS 26 HB2 LYS 26 179.565 10.908 -6.140 213 2HB LYS 26 HB1 LYS 26 179.962 10.191 -4.586 214 1HG LYS 26 HG2 LYS 26 182.089 11.766 -4.848 215 2HG LYS 26 HG1 LYS 26 180.950 12.682 -5.838 216 1HD LYS 26 HD2 LYS 26 179.830 11.755 -3.298 217 2HD LYS 26 HD1 LYS 26 181.194 12.859 -3.113 218 1HE LYS 26 HE2 LYS 26 179.949 14.605 -3.704 219 2HE LYS 26 HE1 LYS 26 179.394 13.789 -5.164 220 1HZ LYS 26 HZ1 LYS 26 178.225 13.034 -2.578 221 2HZ LYS 26 HZ2 LYS 26 177.535 12.992 -4.122 222 3HZ LYS 26 HZ3 LYS 26 177.716 14.468 -3.318 223 H LEU 27 HN LEU 27 181.357 7.689 -4.599 224 HA LEU 27 HA LEU 27 183.270 8.357 -2.724 225 1HB LEU 27 HB2 LEU 27 181.643 6.346 -2.856 226 2HB LEU 27 HB1 LEU 27 182.926 5.543 -3.729 227 HG LEU 27 HG LEU 27 183.755 4.845 -1.789 228 1HD1 LEU 27 HD11 LEU 27 184.125 7.774 -1.242 229 2HD1 LEU 27 HD12 LEU 27 185.321 6.599 -1.788 230 3HD1 LEU 27 HD13 LEU 27 184.688 6.516 -0.147 231 1HD2 LEU 27 HD21 LEU 27 181.688 6.636 -0.549 232 2HD2 LEU 27 HD22 LEU 27 182.726 5.554 0.381 233 3HD2 LEU 27 HD23 LEU 27 181.603 4.894 -0.810 234 H GLU 28 HN GLU 28 183.669 7.097 -5.957 235 HA GLU 28 HA GLU 28 186.280 6.164 -5.858 236 1HB GLU 28 HB2 GLU 28 184.607 7.365 -8.032 237 2HB GLU 28 HB1 GLU 28 186.296 6.988 -8.336 238 1HG GLU 28 HG2 GLU 28 185.816 4.652 -7.578 239 2HG GLU 28 HG1 GLU 28 184.107 5.086 -7.551 240 H LYS 29 HN LYS 29 185.138 9.408 -5.617 241 HA LYS 29 HA LYS 29 187.812 10.466 -6.190 242 1HB LYS 29 HB2 LYS 29 185.833 11.480 -7.327 243 2HB LYS 29 HB1 LYS 29 185.253 12.006 -5.752 244 1HG LYS 29 HG2 LYS 29 186.648 13.746 -5.690 245 2HG LYS 29 HG1 LYS 29 188.007 12.796 -6.291 246 1HD LYS 29 HD2 LYS 29 187.524 14.506 -7.897 247 2HD LYS 29 HD1 LYS 29 187.020 12.957 -8.577 248 1HE LYS 29 HE2 LYS 29 184.708 13.572 -7.551 249 2HE LYS 29 HE1 LYS 29 185.349 15.214 -7.548 250 1HZ LYS 29 HZ1 LYS 29 184.980 13.439 -9.896 251 2HZ LYS 29 HZ2 LYS 29 185.820 14.905 -9.956 252 3HZ LYS 29 HZ3 LYS 29 184.173 14.889 -9.569 253 H TRP 30 HN TRP 30 186.653 9.118 -3.611 254 HA TRP 30 HA TRP 30 187.064 11.252 -1.676 255 1HB TRP 30 HB2 TRP 30 185.798 8.651 -1.696 256 2HB TRP 30 HB1 TRP 30 186.864 8.813 -0.311 257 HD1 TRP 30 HD1 TRP 30 183.692 10.326 -1.838 258 HE1 TRP 30 HE1 TRP 30 182.440 11.617 -0.001 259 HE3 TRP 30 HE3 TRP 30 187.188 10.032 1.878 260 HZ2 TRP 30 HZ2 TRP 30 182.880 12.410 2.681 261 HZ3 TRP 30 HZ3 TRP 30 186.698 11.082 4.047 262 HH2 TRP 30 HH2 TRP 30 184.589 12.247 4.439 263 H GLN 31 HN GLN 31 189.355 10.910 -3.125 264 HA GLN 31 HA GLN 31 191.583 10.452 -3.010 265 1HB GLN 31 HB2 GLN 31 190.795 10.811 -0.138 266 2HB GLN 31 HB1 GLN 31 192.456 10.424 -0.563 267 1HG GLN 31 HG2 GLN 31 192.750 12.619 -0.734 268 2HG GLN 31 HG1 GLN 31 191.881 12.489 -2.263 269 1HE2 GLN 31 HE21 GLN 31 191.737 13.496 1.042 270 2HE2 GLN 31 HE22 GLN 31 190.227 14.331 0.943 271 H THR 32 HN THR 32 189.506 8.124 -2.622 272 HA THR 32 HA THR 32 191.529 6.119 -1.893 273 HB THR 32 HB THR 32 189.856 6.266 -0.123 274 HG1 THR 32 HG1 THR 32 189.280 3.936 -1.608 275 1HG2 THR 32 HG21 THR 32 187.530 5.224 -1.010 276 2HG2 THR 32 HG22 THR 32 187.965 6.279 -2.355 277 3HG2 THR 32 HG23 THR 32 187.818 6.940 -0.727 278 H HIS 33 HN HIS 33 190.823 3.871 -2.793 279 HA HIS 33 HA HIS 33 189.931 4.302 -5.568 280 1HB HIS 33 HB2 HIS 33 191.839 2.233 -4.467 281 2HB HIS 33 HB1 HIS 33 191.309 2.322 -6.143 282 HD1 HIS 33 HD1 HIS 33 193.252 3.136 -7.436 283 HD2 HIS 33 HD2 HIS 33 192.788 5.216 -3.870 284 HE1 HIS 33 HE1 HIS 33 195.010 4.933 -7.472 285 HE2 HIS 33 HE2 HIS 33 194.659 6.228 -5.341 286 H LEU 34 HN LEU 34 189.653 2.166 -2.775 287 HA LEU 34 HA LEU 34 188.137 0.557 -2.225 288 1HB LEU 34 HB2 LEU 34 186.428 1.699 -4.437 289 2HB LEU 34 HB1 LEU 34 185.887 0.704 -3.101 290 HG LEU 34 HG LEU 34 185.211 2.894 -2.578 291 1HD1 LEU 34 HD11 LEU 34 187.579 3.208 -0.945 292 2HD1 LEU 34 HD12 LEU 34 187.008 1.540 -0.954 293 3HD1 LEU 34 HD13 LEU 34 185.920 2.841 -0.472 294 1HD2 LEU 34 HD21 LEU 34 186.454 4.838 -2.874 295 2HD2 LEU 34 HD22 LEU 34 186.848 3.865 -4.292 296 3HD2 LEU 34 HD23 LEU 34 187.982 3.959 -2.947 297 H ILE 35 HN ILE 35 188.589 -1.468 -2.661 298 HA ILE 35 HA ILE 35 188.659 -2.327 -5.482 299 HB ILE 35 HB ILE 35 190.097 -4.262 -4.350 300 1HG1 ILE 35 HG12 ILE 35 190.530 -1.840 -2.590 301 2HG1 ILE 35 HG11 ILE 35 189.997 -3.438 -2.083 302 1HG2 ILE 35 HG21 ILE 35 191.130 -1.549 -5.160 303 2HG2 ILE 35 HG22 ILE 35 190.813 -2.921 -6.223 304 3HG2 ILE 35 HG23 ILE 35 192.110 -3.010 -5.033 305 1HD1 ILE 35 HD11 ILE 35 192.632 -2.408 -2.285 306 2HD1 ILE 35 HD12 ILE 35 192.466 -3.761 -3.405 307 3HD1 ILE 35 HD13 ILE 35 192.098 -3.982 -1.695 308 H ASN 36 HN ASN 36 187.955 -3.503 -2.191 309 HA ASN 36 HA ASN 36 186.191 -5.525 -3.400 310 1HB ASN 36 HB2 ASN 36 188.228 -5.980 -1.686 311 2HB ASN 36 HB1 ASN 36 186.909 -5.766 -0.538 312 1HD2 ASN 36 HD21 ASN 36 188.207 -8.156 -0.745 313 2HD2 ASN 36 HD22 ASN 36 187.152 -9.338 -1.433 314 HA PRO 37 HA PRO 37 183.466 -2.424 -1.156 315 1HB PRO 37 HB2 PRO 37 181.815 -1.886 -3.225 316 2HB PRO 37 HB1 PRO 37 183.339 -1.021 -2.986 317 1HG PRO 37 HG2 PRO 37 182.746 -3.333 -4.800 318 2HG PRO 37 HG1 PRO 37 183.627 -1.836 -5.158 319 1HD PRO 37 HD2 PRO 37 184.902 -4.145 -4.596 320 2HD PRO 37 HD1 PRO 37 185.546 -2.567 -4.098 321 H HIS 38 HN HIS 38 182.085 -3.500 0.099 322 HA HIS 38 HA HIS 38 180.351 -5.538 -1.138 323 1HB HIS 38 HB2 HIS 38 182.083 -5.709 1.124 324 2HB HIS 38 HB1 HIS 38 180.425 -5.871 1.691 325 HD1 HIS 38 HD1 HIS 38 183.088 -7.907 0.674 326 HD2 HIS 38 HD2 HIS 38 179.026 -7.874 -0.202 327 HE1 HIS 38 HE1 HIS 38 182.559 -10.223 -0.147 328 HE2 HIS 38 HE2 HIS 38 180.115 -10.154 -0.756 329 H ILE 39 HN ILE 39 178.174 -5.511 -0.699 330 HA ILE 39 HA ILE 39 177.146 -3.463 1.120 331 HB ILE 39 HB ILE 39 176.308 -3.720 -1.772 332 1HG1 ILE 39 HG12 ILE 39 176.896 -1.170 -1.582 333 2HG1 ILE 39 HG11 ILE 39 177.849 -1.688 -0.196 334 1HG2 ILE 39 HG21 ILE 39 174.775 -1.813 -1.221 335 2HG2 ILE 39 HG22 ILE 39 175.111 -2.124 0.483 336 3HG2 ILE 39 HG23 ILE 39 174.326 -3.361 -0.500 337 1HD1 ILE 39 HD11 ILE 39 178.381 -3.391 -2.435 338 2HD1 ILE 39 HD12 ILE 39 179.483 -2.362 -1.519 339 3HD1 ILE 39 HD13 ILE 39 178.591 -1.699 -2.888 340 H ILE 40 HN ILE 40 175.960 -4.582 2.511 341 HA ILE 40 HA ILE 40 174.245 -6.752 1.489 342 HB ILE 40 HB ILE 40 175.091 -6.464 4.362 343 1HG1 ILE 40 HG12 ILE 40 176.516 -7.950 2.146 344 2HG1 ILE 40 HG11 ILE 40 177.153 -6.618 3.102 345 1HG2 ILE 40 HG21 ILE 40 174.610 -9.105 3.187 346 2HG2 ILE 40 HG22 ILE 40 173.204 -8.039 3.208 347 3HG2 ILE 40 HG23 ILE 40 174.047 -8.418 4.711 348 1HD1 ILE 40 HD11 ILE 40 176.973 -9.475 3.722 349 2HD1 ILE 40 HD12 ILE 40 176.541 -8.392 5.048 350 3HD1 ILE 40 HD13 ILE 40 178.122 -8.257 4.276 351 H LEU 41 HN LEU 41 172.328 -5.721 1.116 352 HA LEU 41 HA LEU 41 171.240 -4.025 3.250 353 1HB LEU 41 HB2 LEU 41 171.210 -2.896 1.179 354 2HB LEU 41 HB1 LEU 41 170.626 -4.308 0.324 355 HG LEU 41 HG LEU 41 168.605 -3.751 2.161 356 1HD1 LEU 41 HD11 LEU 41 169.383 -1.172 0.828 357 2HD1 LEU 41 HD12 LEU 41 169.805 -1.553 2.498 358 3HD1 LEU 41 HD13 LEU 41 168.111 -1.451 2.017 359 1HD2 LEU 41 HD21 LEU 41 168.810 -2.944 -0.739 360 2HD2 LEU 41 HD22 LEU 41 167.322 -3.157 0.185 361 3HD2 LEU 41 HD23 LEU 41 168.360 -4.545 -0.148 362 H SER 42 HN SER 42 170.328 -5.373 4.706 363 HA SER 42 HA SER 42 168.357 -7.323 3.711 364 1HB SER 42 HB2 SER 42 169.774 -7.355 6.380 365 2HB SER 42 HB1 SER 42 168.759 -8.625 5.694 366 HG SER 42 HG SER 42 171.388 -8.138 5.307 367 H LYS 43 HN LYS 43 166.272 -7.096 4.300 368 HA LYS 43 HA LYS 43 165.520 -4.803 5.900 369 1HB LYS 43 HB2 LYS 43 164.324 -5.501 3.790 370 2HB LYS 43 HB1 LYS 43 163.709 -6.888 4.677 371 1HG LYS 43 HG2 LYS 43 163.061 -4.778 6.314 372 2HG LYS 43 HG1 LYS 43 162.830 -4.117 4.695 373 1HD LYS 43 HD2 LYS 43 161.265 -5.797 4.127 374 2HD LYS 43 HD1 LYS 43 161.694 -6.774 5.533 375 1HE LYS 43 HE2 LYS 43 159.605 -5.730 6.001 376 2HE LYS 43 HE1 LYS 43 160.831 -4.921 6.976 377 1HZ LYS 43 HZ1 LYS 43 159.660 -3.164 6.108 378 2HZ LYS 43 HZ2 LYS 43 159.378 -3.922 4.624 379 3HZ LYS 43 HZ3 LYS 43 160.911 -3.301 4.977 380 H GLU 44 HN GLU 44 165.755 -5.058 8.045 381 HA GLU 44 HA GLU 44 164.996 -7.610 9.259 382 1HB GLU 44 HB2 GLU 44 166.964 -5.570 9.851 383 2HB GLU 44 HB1 GLU 44 165.991 -5.942 11.266 384 1HG GLU 44 HG2 GLU 44 168.133 -7.266 10.930 385 2HG GLU 44 HG1 GLU 44 166.666 -8.172 11.296 386 HA PRO 45 HA PRO 45 161.000 -6.569 10.785 387 1HB PRO 45 HB2 PRO 45 162.052 -7.150 13.480 388 2HB PRO 45 HB1 PRO 45 160.705 -7.886 12.618 389 1HG PRO 45 HG2 PRO 45 163.323 -8.920 12.927 390 2HG PRO 45 HG1 PRO 45 162.013 -9.589 11.944 391 1HD PRO 45 HD2 PRO 45 164.416 -8.496 10.999 392 2HD PRO 45 HD1 PRO 45 162.975 -8.857 10.032 393 H GLN 46 HN GLN 46 163.684 -5.553 12.901 394 HA GLN 46 HA GLN 46 162.174 -3.148 13.595 395 1HB GLN 46 HB2 GLN 46 163.371 -4.821 15.243 396 2HB GLN 46 HB1 GLN 46 164.782 -3.839 14.867 397 1HG GLN 46 HG2 GLN 46 163.605 -3.123 16.909 398 2HG GLN 46 HG1 GLN 46 163.700 -1.862 15.681 399 1HE2 GLN 46 HE21 GLN 46 161.512 -4.626 15.908 400 2HE2 GLN 46 HE22 GLN 46 160.059 -3.696 15.990 401 H GLY 47 HN GLY 47 163.196 -3.094 11.001 402 1HA GLY 47 HA2 GLY 47 164.034 -0.948 10.137 403 2HA GLY 47 HA1 GLY 47 165.328 -1.070 11.313 404 H PHE 48 HN PHE 48 165.671 -0.613 8.573 405 HA PHE 48 HA PHE 48 166.417 -2.989 7.177 406 1HB PHE 48 HB2 PHE 48 166.297 -0.154 6.659 407 2HB PHE 48 HB1 PHE 48 167.846 -0.787 6.126 408 HD1 PHE 48 HD1 PHE 48 167.060 -3.488 5.217 409 HD2 PHE 48 HD2 PHE 48 165.158 0.281 4.708 410 HE1 PHE 48 HE1 PHE 48 166.019 -4.299 3.143 411 HE2 PHE 48 HE2 PHE 48 164.109 -0.516 2.633 412 HZ PHE 48 HZ PHE 48 164.537 -2.814 1.846 413 H VAL 49 HN VAL 49 168.476 -3.833 6.833 414 HA VAL 49 HA VAL 49 170.532 -2.933 8.743 415 HB VAL 49 HB VAL 49 170.354 -5.647 7.434 416 1HG1 VAL 49 HG11 VAL 49 172.507 -4.486 8.570 417 2HG1 VAL 49 HG12 VAL 49 172.209 -6.223 8.576 418 3HG1 VAL 49 HG13 VAL 49 171.777 -5.249 9.980 419 1HG2 VAL 49 HG21 VAL 49 169.776 -6.140 10.010 420 2HG2 VAL 49 HG22 VAL 49 168.549 -5.879 8.772 421 3HG2 VAL 49 HG23 VAL 49 169.026 -4.553 9.832 422 H ALA 50 HN ALA 50 171.526 -1.394 7.427 423 HA ALA 50 HA ALA 50 172.502 -2.210 4.806 424 1HB ALA 50 HB1 ALA 50 173.148 0.099 4.512 425 2HB ALA 50 HB2 ALA 50 172.798 0.445 6.206 426 3HB ALA 50 HB3 ALA 50 171.489 0.020 5.103 427 H ASP 51 HN ASP 51 174.159 -3.635 5.138 428 HA ASP 51 HA ASP 51 176.428 -2.702 6.767 429 1HB ASP 51 HB2 ASP 51 175.662 -5.504 5.926 430 2HB ASP 51 HB1 ASP 51 177.123 -5.093 6.817 431 H ALA 52 HN ALA 52 177.278 -1.389 5.091 432 HA ALA 52 HA ALA 52 178.227 -2.801 2.700 433 1HB ALA 52 HB1 ALA 52 178.544 0.141 3.031 434 2HB ALA 52 HB2 ALA 52 176.934 -0.513 2.727 435 3HB ALA 52 HB3 ALA 52 178.237 -0.807 1.576 436 H THR 53 HN THR 53 180.197 -3.636 2.851 437 HA THR 53 HA THR 53 182.204 -2.252 4.495 438 HB THR 53 HB THR 53 182.903 -4.937 3.568 439 HG1 THR 53 HG1 THR 53 180.601 -4.566 5.175 440 1HG2 THR 53 HG21 THR 53 182.728 -3.643 6.273 441 2HG2 THR 53 HG22 THR 53 184.177 -3.963 5.321 442 3HG2 THR 53 HG23 THR 53 183.255 -5.302 6.002 443 H ILE 54 HN ILE 54 183.455 -0.964 3.317 444 HA ILE 54 HA ILE 54 184.243 -1.837 0.617 445 HB ILE 54 HB ILE 54 184.633 0.969 1.589 446 1HG1 ILE 54 HG12 ILE 54 182.056 -0.162 0.472 447 2HG1 ILE 54 HG11 ILE 54 182.295 0.446 2.107 448 1HG2 ILE 54 HG21 ILE 54 183.977 -0.144 -1.133 449 2HG2 ILE 54 HG22 ILE 54 185.607 0.188 -0.551 450 3HG2 ILE 54 HG23 ILE 54 184.455 1.509 -0.749 451 1HD1 ILE 54 HD11 ILE 54 181.321 2.259 1.159 452 2HD1 ILE 54 HD12 ILE 54 181.978 1.918 -0.441 453 3HD1 ILE 54 HD13 ILE 54 183.009 2.627 0.803 454 H ASN 55 HN ASN 55 186.309 -2.316 0.219 455 HA ASN 55 HA ASN 55 188.236 -2.057 2.376 456 1HB ASN 55 HB2 ASN 55 188.012 -4.200 1.166 457 2HB ASN 55 HB1 ASN 55 188.519 -3.400 -0.318 458 1HD2 ASN 55 HD21 ASN 55 189.537 -5.239 2.203 459 2HD2 ASN 55 HD22 ASN 55 191.230 -4.896 2.147 460 H THR 56 HN THR 56 189.107 -0.079 2.515 461 HA THR 56 HA THR 56 189.904 1.345 0.094 462 HB THR 56 HB THR 56 189.936 3.281 1.354 463 HG1 THR 56 HG1 THR 56 190.242 1.896 3.790 464 1HG2 THR 56 HG21 THR 56 188.185 1.775 3.251 465 2HG2 THR 56 HG22 THR 56 187.684 2.088 1.589 466 3HG2 THR 56 HG23 THR 56 188.038 3.435 2.670 467 HA PRO 57 HA PRO 57 194.225 0.495 0.223 468 1HB PRO 57 HB2 PRO 57 195.368 3.015 0.296 469 2HB PRO 57 HB1 PRO 57 194.797 2.204 -1.166 470 1HG PRO 57 HG2 PRO 57 193.441 4.274 0.510 471 2HG PRO 57 HG1 PRO 57 193.472 4.100 -1.255 472 1HD PRO 57 HD2 PRO 57 191.339 3.365 0.186 473 2HD PRO 57 HD1 PRO 57 191.845 2.446 -1.244 474 H ASN 58 HN ASN 58 192.929 2.647 2.648 475 HA ASN 58 HA ASN 58 195.239 2.232 4.388 476 1HB ASN 58 HB2 ASN 58 194.277 3.916 5.823 477 2HB ASN 58 HB1 ASN 58 194.219 4.505 4.165 478 1HD2 ASN 58 HD21 ASN 58 192.363 5.298 3.484 479 2HD2 ASN 58 HD22 ASN 58 190.817 5.021 4.203 480 H GLY 59 HN GLY 59 192.032 1.077 3.882 481 1HA GLY 59 HA2 GLY 59 192.163 -1.175 5.392 482 2HA GLY 59 HA1 GLY 59 191.657 0.049 6.547 483 H VAL 60 HN VAL 60 189.975 -2.000 6.183 484 HA VAL 60 HA VAL 60 188.011 -1.274 4.162 485 HB VAL 60 HB VAL 60 187.767 -3.475 6.207 486 1HG1 VAL 60 HG11 VAL 60 186.142 -4.404 4.754 487 2HG1 VAL 60 HG12 VAL 60 186.553 -3.279 3.460 488 3HG1 VAL 60 HG13 VAL 60 185.745 -2.694 4.915 489 1HG2 VAL 60 HG21 VAL 60 188.478 -4.817 4.015 490 2HG2 VAL 60 HG22 VAL 60 189.653 -4.247 5.201 491 3HG2 VAL 60 HG23 VAL 60 189.375 -3.326 3.722 492 H LEU 61 HN LEU 61 186.414 0.095 4.555 493 HA LEU 61 HA LEU 61 185.754 0.762 7.324 494 1HB LEU 61 HB2 LEU 61 185.318 2.115 4.686 495 2HB LEU 61 HB1 LEU 61 184.368 2.577 6.086 496 HG LEU 61 HG LEU 61 187.098 2.555 6.878 497 1HD1 LEU 61 HD11 LEU 61 186.627 3.573 4.145 498 2HD1 LEU 61 HD12 LEU 61 188.091 2.924 4.881 499 3HD1 LEU 61 HD13 LEU 61 187.598 4.584 5.216 500 1HD2 LEU 61 HD21 LEU 61 184.792 4.208 7.037 501 2HD2 LEU 61 HD22 LEU 61 186.149 5.201 6.509 502 3HD2 LEU 61 HD23 LEU 61 186.265 4.273 8.004 503 H VAL 62 HN VAL 62 184.006 -0.030 8.268 504 HA VAL 62 HA VAL 62 182.023 -1.433 6.657 505 HB VAL 62 HB VAL 62 182.226 -1.286 9.666 506 1HG1 VAL 62 HG11 VAL 62 180.028 -1.948 8.512 507 2HG1 VAL 62 HG12 VAL 62 180.666 -3.019 9.757 508 3HG1 VAL 62 HG13 VAL 62 180.876 -3.424 8.053 509 1HG2 VAL 62 HG21 VAL 62 183.014 -3.746 8.238 510 2HG2 VAL 62 HG22 VAL 62 183.685 -3.012 9.694 511 3HG2 VAL 62 HG23 VAL 62 184.124 -2.382 8.108 512 H ALA 63 HN ALA 63 180.552 -0.057 5.820 513 HA ALA 63 HA ALA 63 179.542 2.180 7.357 514 1HB ALA 63 HB1 ALA 63 178.142 1.556 4.872 515 2HB ALA 63 HB2 ALA 63 179.885 1.739 4.671 516 3HB ALA 63 HB3 ALA 63 178.938 3.044 5.383 517 H SER 64 HN SER 64 178.470 1.189 9.084 518 HA SER 64 HA SER 64 176.257 -0.609 8.474 519 1HB SER 64 HB2 SER 64 176.600 0.154 11.280 520 2HB SER 64 HB1 SER 64 176.547 -1.448 10.545 521 HG SER 64 HG SER 64 178.755 -1.030 9.866 522 H GLY 65 HN GLY 65 174.169 -0.059 8.547 523 1HA GLY 65 HA2 GLY 65 173.344 2.394 9.898 524 2HA GLY 65 HA1 GLY 65 173.078 2.319 8.163 525 H LYS 66 HN LYS 66 171.561 1.961 11.012 526 HA LYS 66 HA LYS 66 169.721 -0.067 9.933 527 1HB LYS 66 HB2 LYS 66 169.089 -0.492 12.343 528 2HB LYS 66 HB1 LYS 66 170.694 -1.024 11.865 529 1HG LYS 66 HG2 LYS 66 171.021 1.591 12.800 530 2HG LYS 66 HG1 LYS 66 169.914 0.813 13.930 531 1HD LYS 66 HD2 LYS 66 171.524 -0.500 14.769 532 2HD LYS 66 HD1 LYS 66 172.161 -0.888 13.170 533 1HE LYS 66 HE2 LYS 66 172.658 1.745 14.541 534 2HE LYS 66 HE1 LYS 66 173.724 0.353 14.724 535 1HZ LYS 66 HZ1 LYS 66 173.496 0.512 12.060 536 2HZ LYS 66 HZ2 LYS 66 174.742 1.231 12.950 537 3HZ LYS 66 HZ3 LYS 66 173.401 2.148 12.481 538 H HIS 67 HN HIS 67 167.719 0.571 9.515 539 HA HIS 67 HA HIS 67 166.190 2.305 11.105 540 1HB HIS 67 HB2 HIS 67 167.948 3.891 10.012 541 2HB HIS 67 HB1 HIS 67 166.964 3.704 8.564 542 HD1 HIS 67 HD1 HIS 67 166.859 5.138 12.032 543 HD2 HIS 67 HD2 HIS 67 164.551 5.075 8.579 544 HE1 HIS 67 HE1 HIS 67 165.060 6.857 12.395 545 HE2 HIS 67 HE2 HIS 67 163.614 6.726 10.335 546 H GLU 68 HN GLU 68 164.097 1.998 10.628 547 HA GLU 68 HA GLU 68 163.169 0.110 8.894 548 1HB GLU 68 HB2 GLU 68 161.926 1.394 10.741 549 2HB GLU 68 HB1 GLU 68 161.540 2.565 9.488 550 1HG GLU 68 HG2 GLU 68 159.727 0.983 9.807 551 2HG GLU 68 HG1 GLU 68 160.423 0.838 8.194 552 H ASP 69 HN ASP 69 163.297 3.604 8.227 553 HA ASP 69 HA ASP 69 162.243 3.448 5.627 554 1HB ASP 69 HB2 ASP 69 163.062 5.485 7.319 555 2HB ASP 69 HB1 ASP 69 164.194 5.589 5.975 556 H MET 70 HN MET 70 163.169 3.220 3.631 557 HA MET 70 HA MET 70 165.572 1.729 3.484 558 1HB MET 70 HB2 MET 70 164.694 1.137 1.522 559 2HB MET 70 HB1 MET 70 163.386 2.268 1.799 560 1HG MET 70 HG2 MET 70 165.859 3.408 0.656 561 2HG MET 70 HG1 MET 70 164.964 2.291 -0.365 562 1HE MET 70 HE1 MET 70 161.974 3.371 -1.274 563 2HE MET 70 HE2 MET 70 161.431 3.754 0.358 564 3HE MET 70 HE3 MET 70 162.399 2.309 0.066 565 H TYR 71 HN TYR 71 164.786 5.008 2.321 566 HA TYR 71 HA TYR 71 167.438 5.630 1.568 567 1HB TYR 71 HB2 TYR 71 164.926 7.174 1.953 568 2HB TYR 71 HB1 TYR 71 166.430 8.082 1.968 569 HD1 TYR 71 HD1 TYR 71 164.775 8.967 -0.031 570 HD2 TYR 71 HD2 TYR 71 167.138 5.427 -0.114 571 HE1 TYR 71 HE1 TYR 71 164.773 9.022 -2.490 572 HE2 TYR 71 HE2 TYR 71 167.146 5.477 -2.558 573 HH TYR 71 HH TYR 71 166.862 7.370 -4.369 574 H THR 72 HN THR 72 165.591 6.377 4.515 575 HA THR 72 HA THR 72 167.566 7.863 5.810 576 HB THR 72 HB THR 72 165.698 5.978 7.238 577 HG1 THR 72 HG1 THR 72 164.114 7.537 7.034 578 1HG2 THR 72 HG21 THR 72 166.577 8.752 7.983 579 2HG2 THR 72 HG22 THR 72 167.318 7.274 8.598 580 3HG2 THR 72 HG23 THR 72 165.627 7.627 8.955 581 H ALA 73 HN ALA 73 167.224 4.436 5.316 582 HA ALA 73 HA ALA 73 169.035 3.534 7.285 583 1HB ALA 73 HB1 ALA 73 167.611 2.396 5.018 584 2HB ALA 73 HB2 ALA 73 168.057 1.662 6.556 585 3HB ALA 73 HB3 ALA 73 169.218 1.697 5.230 586 H ILE 74 HN ILE 74 169.488 4.001 3.776 587 HA ILE 74 HA ILE 74 172.276 3.601 3.803 588 HB ILE 74 HB ILE 74 171.771 5.483 1.746 589 1HG1 ILE 74 HG12 ILE 74 169.318 4.887 2.246 590 2HG1 ILE 74 HG11 ILE 74 169.868 4.754 0.583 591 1HG2 ILE 74 HG21 ILE 74 172.413 2.606 1.976 592 2HG2 ILE 74 HG22 ILE 74 173.288 3.911 1.173 593 3HG2 ILE 74 HG23 ILE 74 171.870 3.198 0.404 594 1HD1 ILE 74 HD11 ILE 74 168.512 2.870 1.057 595 2HD1 ILE 74 HD12 ILE 74 169.411 2.513 2.533 596 3HD1 ILE 74 HD13 ILE 74 170.181 2.310 0.959 597 H ASN 75 HN ASN 75 170.315 6.321 4.650 598 HA ASN 75 HA ASN 75 172.241 8.367 4.403 599 1HB ASN 75 HB2 ASN 75 169.610 8.040 5.705 600 2HB ASN 75 HB1 ASN 75 170.654 9.267 6.415 601 1HD2 ASN 75 HD21 ASN 75 169.039 8.230 3.489 602 2HD2 ASN 75 HD22 ASN 75 169.046 9.773 2.711 603 H GLU 76 HN GLU 76 171.183 6.517 7.269 604 HA GLU 76 HA GLU 76 173.115 7.634 9.006 605 1HB GLU 76 HB2 GLU 76 171.240 5.329 9.094 606 2HB GLU 76 HB1 GLU 76 172.588 5.304 10.222 607 1HG GLU 76 HG2 GLU 76 170.481 7.438 9.972 608 2HG GLU 76 HG1 GLU 76 170.669 6.275 11.285 609 H LEU 77 HN LEU 77 173.092 4.787 6.944 610 HA LEU 77 HA LEU 77 175.460 3.599 7.894 611 1HB LEU 77 HB2 LEU 77 174.388 2.086 6.604 612 2HB LEU 77 HB1 LEU 77 173.685 3.311 5.569 613 HG LEU 77 HG LEU 77 176.593 2.736 5.259 614 1HD1 LEU 77 HD11 LEU 77 174.961 0.595 5.357 615 2HD1 LEU 77 HD12 LEU 77 176.389 0.699 4.328 616 3HD1 LEU 77 HD13 LEU 77 174.793 1.045 3.660 617 1HD2 LEU 77 HD21 LEU 77 175.338 2.870 2.799 618 2HD2 LEU 77 HD22 LEU 77 176.183 4.187 3.614 619 3HD2 LEU 77 HD23 LEU 77 174.437 4.016 3.792 620 H ILE 78 HN ILE 78 174.909 5.733 5.091 621 HA ILE 78 HA ILE 78 177.591 5.894 4.295 622 HB ILE 78 HB ILE 78 175.361 6.700 3.130 623 1HG1 ILE 78 HG12 ILE 78 177.348 6.552 1.867 624 2HG1 ILE 78 HG11 ILE 78 176.803 8.214 1.667 625 1HG2 ILE 78 HG21 ILE 78 176.401 9.373 3.995 626 2HG2 ILE 78 HG22 ILE 78 175.144 8.539 4.907 627 3HG2 ILE 78 HG23 ILE 78 174.867 8.971 3.221 628 1HD1 ILE 78 HD11 ILE 78 178.406 8.809 3.532 629 2HD1 ILE 78 HD12 ILE 78 179.117 8.335 1.989 630 3HD1 ILE 78 HD13 ILE 78 179.075 7.190 3.330 631 H ASN 79 HN ASN 79 175.746 7.769 6.632 632 HA ASN 79 HA ASN 79 177.523 9.877 7.042 633 1HB ASN 79 HB2 ASN 79 175.421 8.557 8.707 634 2HB ASN 79 HB1 ASN 79 176.503 9.711 9.478 635 1HD2 ASN 79 HD21 ASN 79 173.562 9.519 8.345 636 2HD2 ASN 79 HD22 ASN 79 173.347 11.092 7.659 637 H LYS 80 HN LYS 80 177.351 6.718 8.660 638 HA LYS 80 HA LYS 80 179.495 7.139 10.432 639 1HB LYS 80 HB2 LYS 80 177.668 5.218 10.231 640 2HB LYS 80 HB1 LYS 80 178.969 4.404 9.371 641 1HG LYS 80 HG2 LYS 80 180.362 4.398 11.253 642 2HG LYS 80 HG1 LYS 80 179.383 5.608 12.085 643 1HD LYS 80 HD2 LYS 80 178.400 2.847 11.381 644 2HD LYS 80 HD1 LYS 80 179.113 3.266 12.939 645 1HE LYS 80 HE2 LYS 80 177.243 4.266 13.650 646 2HE LYS 80 HE1 LYS 80 177.000 5.096 12.114 647 1HZ LYS 80 HZ1 LYS 80 176.491 2.238 12.105 648 2HZ LYS 80 HZ2 LYS 80 175.634 3.492 11.363 649 3HZ LYS 80 HZ3 LYS 80 175.406 3.171 13.008 650 H LEU 81 HN LEU 81 179.366 5.851 7.149 651 HA LEU 81 HA LEU 81 181.997 4.933 6.951 652 1HB LEU 81 HB2 LEU 81 179.800 5.090 5.280 653 2HB LEU 81 HB1 LEU 81 180.974 6.126 4.491 654 HG LEU 81 HG LEU 81 181.353 3.218 5.208 655 1HD1 LEU 81 HD11 LEU 81 181.608 4.177 2.438 656 2HD1 LEU 81 HD12 LEU 81 179.979 4.209 3.112 657 3HD1 LEU 81 HD13 LEU 81 180.885 2.697 3.069 658 1HD2 LEU 81 HD21 LEU 81 183.265 4.931 3.654 659 2HD2 LEU 81 HD22 LEU 81 183.530 3.334 4.349 660 3HD2 LEU 81 HD23 LEU 81 183.390 4.741 5.403 661 H GLU 82 HN GLU 82 180.638 8.102 6.040 662 HA GLU 82 HA GLU 82 182.989 9.274 5.119 663 1HB GLU 82 HB2 GLU 82 180.516 10.436 6.380 664 2HB GLU 82 HB1 GLU 82 181.845 11.458 5.853 665 1HG GLU 82 HG2 GLU 82 181.395 11.158 3.662 666 2HG GLU 82 HG1 GLU 82 180.831 9.503 3.889 667 H ARG 83 HN ARG 83 181.516 9.781 8.334 668 HA ARG 83 HA ARG 83 183.573 11.184 9.511 669 1HB ARG 83 HB2 ARG 83 181.646 11.086 10.794 670 2HB ARG 83 HB1 ARG 83 181.456 9.354 10.569 671 1HG ARG 83 HG2 ARG 83 182.039 10.003 12.881 672 2HG ARG 83 HG1 ARG 83 183.200 8.895 12.147 673 1HD ARG 83 HD2 ARG 83 184.244 11.329 11.484 674 2HD ARG 83 HD1 ARG 83 183.542 11.656 13.068 675 HE ARG 83 HE ARG 83 185.871 10.108 12.512 676 1HH1 ARG 83 HH11 ARG 83 183.175 10.419 14.707 677 2HH1 ARG 83 HH12 ARG 83 183.999 9.655 16.025 678 1HH2 ARG 83 HH21 ARG 83 186.955 9.101 14.244 679 2HH2 ARG 83 HH22 ARG 83 186.145 8.908 15.763 680 H GLN 84 HN GLN 84 183.206 7.681 9.214 681 HA GLN 84 HA GLN 84 185.546 7.053 10.719 682 1HB GLN 84 HB2 GLN 84 183.518 5.550 10.200 683 2HB GLN 84 HB1 GLN 84 184.297 5.257 8.652 684 1HG GLN 84 HG2 GLN 84 186.359 4.646 10.122 685 2HG GLN 84 HG1 GLN 84 185.148 4.436 11.387 686 1HE2 GLN 84 HE21 GLN 84 183.054 3.477 9.780 687 2HE2 GLN 84 HE22 GLN 84 183.477 1.895 9.228 688 H LEU 85 HN LEU 85 184.889 7.805 7.382 689 HA LEU 85 HA LEU 85 187.312 6.785 6.298 690 1HB LEU 85 HB2 LEU 85 184.970 8.092 5.341 691 2HB LEU 85 HB1 LEU 85 186.359 8.989 4.758 692 HG LEU 85 HG LEU 85 186.501 6.056 4.426 693 1HD1 LEU 85 HD11 LEU 85 184.080 6.973 3.890 694 2HD1 LEU 85 HD12 LEU 85 184.877 5.790 2.853 695 3HD1 LEU 85 HD13 LEU 85 184.874 7.495 2.405 696 1HD2 LEU 85 HD21 LEU 85 187.467 8.515 3.141 697 2HD2 LEU 85 HD22 LEU 85 187.058 7.202 2.038 698 3HD2 LEU 85 HD23 LEU 85 188.244 6.941 3.316 699 H ASN 86 HN ASN 86 186.323 9.889 7.627 700 HA ASN 86 HA ASN 86 188.638 11.329 6.861 701 1HB ASN 86 HB2 ASN 86 186.606 11.812 9.045 702 2HB ASN 86 HB1 ASN 86 187.893 12.945 8.644 703 1HD2 ASN 86 HD21 ASN 86 184.742 12.105 8.071 704 2HD2 ASN 86 HD22 ASN 86 184.489 12.973 6.597 705 H LYS 87 HN LYS 87 187.682 9.945 10.014 706 HA LYS 87 HA LYS 87 190.004 10.550 11.404 707 1HB LYS 87 HB2 LYS 87 189.294 9.048 13.053 708 2HB LYS 87 HB1 LYS 87 187.804 9.567 12.281 709 1HG LYS 87 HG2 LYS 87 187.431 7.325 12.403 710 2HG LYS 87 HG1 LYS 87 188.204 7.414 10.819 711 1HD LYS 87 HD2 LYS 87 190.192 6.522 11.592 712 2HD LYS 87 HD1 LYS 87 189.880 7.012 13.259 713 1HE LYS 87 HE2 LYS 87 188.161 5.305 13.460 714 2HE LYS 87 HE1 LYS 87 188.397 4.845 11.773 715 1HZ LYS 87 HZ1 LYS 87 189.541 3.348 13.302 716 2HZ LYS 87 HZ2 LYS 87 190.454 4.638 13.906 717 3HZ LYS 87 HZ3 LYS 87 190.640 4.153 12.296 718 H LEU 88 HN LEU 88 189.319 7.833 9.268 719 HA LEU 88 HA LEU 88 191.858 6.566 9.818 720 1HB LEU 88 HB2 LEU 88 189.392 5.792 8.652 721 2HB LEU 88 HB1 LEU 88 190.627 5.578 7.427 722 HG LEU 88 HG LEU 88 190.460 4.267 10.131 723 1HD1 LEU 88 HD11 LEU 88 189.372 2.795 8.837 724 2HD1 LEU 88 HD12 LEU 88 190.987 2.348 8.286 725 3HD1 LEU 88 HD13 LEU 88 190.014 3.478 7.343 726 1HD2 LEU 88 HD21 LEU 88 192.708 4.544 10.166 727 2HD2 LEU 88 HD22 LEU 88 192.819 4.782 8.421 728 3HD2 LEU 88 HD23 LEU 88 192.652 3.154 9.081 729 H GLN 89 HN GLN 89 190.501 8.741 7.459 730 HA GLN 89 HA GLN 89 192.308 8.462 5.365 731 1HB GLN 89 HB2 GLN 89 190.493 10.588 6.328 732 2HB GLN 89 HB1 GLN 89 191.797 11.120 5.278 733 1HG GLN 89 HG2 GLN 89 190.419 8.750 4.294 734 2HG GLN 89 HG1 GLN 89 189.369 10.157 4.464 735 1HE2 GLN 89 HE21 GLN 89 191.403 8.563 2.426 736 2HE2 GLN 89 HE22 GLN 89 191.787 9.850 1.338 737 H HIS 90 HN HIS 90 192.572 10.293 8.367 738 HA HIS 90 HA HIS 90 194.902 11.731 7.755 739 1HB HIS 90 HB2 HIS 90 193.202 11.518 9.938 740 2HB HIS 90 HB1 HIS 90 194.739 10.916 10.552 741 HD1 HIS 90 HD1 HIS 90 196.539 12.884 8.849 742 HD2 HIS 90 HD2 HIS 90 193.290 13.965 11.202 743 HE1 HIS 90 HE1 HIS 90 196.905 15.303 9.428 744 HE2 HIS 90 HE2 HIS 90 194.968 15.913 10.920 745 H LYS 91 HN LYS 91 196.975 11.160 7.587 746 HA LYS 91 HA LYS 91 198.872 9.908 7.572 747 1HB LYS 91 HB2 LYS 91 197.538 8.894 10.067 748 2HB LYS 91 HB1 LYS 91 199.067 8.220 9.520 749 1HG LYS 91 HG2 LYS 91 198.519 11.083 10.271 750 2HG LYS 91 HG1 LYS 91 199.482 9.910 11.172 751 1HD LYS 91 HD2 LYS 91 200.659 9.866 8.694 752 2HD LYS 91 HD1 LYS 91 200.200 11.562 8.867 753 1HE LYS 91 HE2 LYS 91 201.696 11.930 10.514 754 2HE LYS 91 HE1 LYS 91 201.440 10.345 11.242 755 1HZ LYS 91 HZ1 LYS 91 202.688 9.936 8.789 756 2HZ LYS 91 HZ2 LYS 91 203.335 9.696 10.333 757 3HZ LYS 91 HZ3 LYS 91 203.530 11.187 9.558 758 H GLY 92 HN GLY 92 198.347 8.927 5.579 759 1HA GLY 92 HA2 GLY 92 198.107 6.054 5.751 760 2HA GLY 92 HA1 GLY 92 196.724 6.836 4.999 761 H GLU 93 HN GLU 93 199.351 5.181 4.243 762 HA GLU 93 HA GLU 93 200.440 6.825 2.141 763 1HB GLU 93 HB2 GLU 93 201.875 5.239 3.323 764 2HB GLU 93 HB1 GLU 93 200.863 3.903 2.794 765 1HG GLU 93 HG2 GLU 93 201.993 3.721 0.904 766 2HG GLU 93 HG1 GLU 93 201.727 5.422 0.525 767 H ALA 94 HN ALA 94 199.362 7.165 0.318 768 HA ALA 94 HA ALA 94 197.300 5.362 -0.578 769 1HB ALA 94 HB1 ALA 94 198.248 8.061 -1.314 770 2HB ALA 94 HB2 ALA 94 196.606 7.446 -1.115 771 3HB ALA 94 HB3 ALA 94 197.497 7.116 -2.599 772 H ARG 95 HN ARG 95 200.227 6.674 -2.135 773 HA ARG 95 HA ARG 95 201.639 5.844 -3.692 774 1HB ARG 95 HB2 ARG 95 202.503 3.779 -3.278 775 2HB ARG 95 HB1 ARG 95 201.575 3.974 -1.801 776 1HG ARG 95 HG2 ARG 95 199.749 2.798 -3.470 777 2HG ARG 95 HG1 ARG 95 201.266 2.058 -3.981 778 1HD ARG 95 HD2 ARG 95 201.608 1.845 -1.364 779 2HD ARG 95 HD1 ARG 95 199.846 1.887 -1.377 780 HE ARG 95 HE ARG 95 200.255 0.011 -3.175 781 1HH1 ARG 95 HH11 ARG 95 201.887 0.483 -0.121 782 2HH1 ARG 95 HH12 ARG 95 202.232 -1.200 0.092 783 1HH2 ARG 95 HH21 ARG 95 200.706 -2.201 -2.886 784 2HH2 ARG 95 HH22 ARG 95 201.561 -2.721 -1.473 785 H ARG 96 HN ARG 96 201.678 5.293 -5.839 786 HA ARG 96 HA ARG 96 199.114 5.127 -7.126 787 1HB ARG 96 HB2 ARG 96 201.873 5.018 -8.355 788 2HB ARG 96 HB1 ARG 96 200.364 5.321 -9.204 789 1HG ARG 96 HG2 ARG 96 201.438 7.103 -7.033 790 2HG ARG 96 HG1 ARG 96 201.755 7.346 -8.752 791 1HD ARG 96 HD2 ARG 96 199.252 7.367 -9.082 792 2HD ARG 96 HD1 ARG 96 199.105 7.434 -7.327 793 HE ARG 96 HE ARG 96 199.625 9.650 -7.430 794 1HH1 ARG 96 HH11 ARG 96 200.756 8.127 -10.359 795 2HH1 ARG 96 HH12 ARG 96 201.244 9.617 -11.093 796 1HH2 ARG 96 HH21 ARG 96 200.266 11.611 -8.395 797 2HH2 ARG 96 HH22 ARG 96 200.967 11.594 -9.979 798 H ALA 97 HN ALA 97 198.497 3.516 -8.670 799 HA ALA 97 HA ALA 97 199.537 0.854 -7.976 800 1HB ALA 97 HB1 ALA 97 197.239 0.292 -9.246 801 2HB ALA 97 HB2 ALA 97 196.848 1.893 -8.613 802 3HB ALA 97 HB3 ALA 97 197.339 0.604 -7.513 803 H ALA 98 HN ALA 98 200.890 0.021 -9.416 804 HA ALA 98 HA ALA 98 200.295 0.370 -12.274 805 1HB ALA 98 HB1 ALA 98 203.147 0.293 -11.447 806 2HB ALA 98 HB2 ALA 98 202.256 1.796 -11.217 807 3HB ALA 98 HB3 ALA 98 202.388 1.088 -12.826 808 H THR 99 HN THR 99 199.329 -1.805 -11.614 809 HA THR 99 HA THR 99 201.218 -3.961 -11.256 810 HB THR 99 HB THR 99 198.438 -4.617 -12.003 811 HG1 THR 99 HG1 THR 99 199.015 -3.200 -9.614 812 1HG2 THR 99 HG21 THR 99 199.242 -5.439 -9.380 813 2HG2 THR 99 HG22 THR 99 200.497 -5.829 -10.559 814 3HG2 THR 99 HG23 THR 99 198.851 -6.418 -10.795 815 H SER 100 HN SER 100 200.046 -5.957 -12.834 816 HA SER 100 HA SER 100 201.267 -5.353 -15.373 817 1HB SER 100 HB2 SER 100 199.761 -7.888 -15.009 818 2HB SER 100 HB1 SER 100 201.359 -7.613 -15.701 819 HG SER 100 HG SER 100 201.471 -8.693 -13.688 820 H VAL 101 HN VAL 101 199.385 -3.593 -15.416 821 HA VAL 101 HA VAL 101 196.992 -4.716 -16.669 822 HB VAL 101 HB VAL 101 196.353 -2.164 -16.693 823 1HG1 VAL 101 HG11 VAL 101 195.271 -2.440 -14.560 824 2HG1 VAL 101 HG12 VAL 101 196.397 -3.723 -14.115 825 3HG1 VAL 101 HG13 VAL 101 195.246 -3.976 -15.427 826 1HG2 VAL 101 HG21 VAL 101 197.291 -0.896 -14.860 827 2HG2 VAL 101 HG22 VAL 101 198.580 -1.390 -15.955 828 3HG2 VAL 101 HG23 VAL 101 198.346 -2.241 -14.429 829 H LYS 102 HN LYS 102 199.495 -2.273 -17.325 830 HA LYS 102 HA LYS 102 198.678 -2.164 -20.120 831 1HB LYS 102 HB2 LYS 102 200.635 -0.446 -20.172 832 2HB LYS 102 HB1 LYS 102 199.114 -0.013 -19.404 833 1HG LYS 102 HG2 LYS 102 200.020 -0.333 -17.233 834 2HG LYS 102 HG1 LYS 102 201.476 -1.084 -17.885 835 1HD LYS 102 HD2 LYS 102 202.448 0.916 -17.931 836 2HD LYS 102 HD1 LYS 102 201.254 1.440 -19.119 837 1HE LYS 102 HE2 LYS 102 200.283 2.786 -17.637 838 2HE LYS 102 HE1 LYS 102 200.120 1.472 -16.474 839 1HZ LYS 102 HZ1 LYS 102 202.810 2.388 -16.632 840 2HZ LYS 102 HZ2 LYS 102 201.792 2.277 -15.286 841 3HZ LYS 102 HZ3 LYS 102 201.759 3.662 -16.258 842 H ASP 103 HN ASP 103 200.061 -4.529 -18.850 843 HA ASP 103 HA ASP 103 202.674 -4.588 -20.067 844 1HB ASP 103 HB2 ASP 103 202.778 -6.890 -19.219 845 2HB ASP 103 HB1 ASP 103 202.261 -5.773 -17.959 846 H ALA 104 HN ALA 104 202.998 -6.976 -21.192 847 HA ALA 104 HA ALA 104 201.916 -6.675 -23.769 848 1HB ALA 104 HB1 ALA 104 203.029 -8.731 -24.316 849 2HB ALA 104 HB2 ALA 104 203.150 -9.170 -22.611 850 3HB ALA 104 HB3 ALA 104 204.069 -7.801 -23.236 851 H ASN 105 HN ASN 105 199.632 -6.548 -23.353 852 HA ASN 105 HA ASN 105 198.339 -9.079 -22.639 853 1HB ASN 105 HB2 ASN 105 196.232 -7.524 -22.766 854 2HB ASN 105 HB1 ASN 105 197.304 -7.440 -21.373 855 1HD2 ASN 105 HD21 ASN 105 197.106 -6.035 -24.632 856 2HD2 ASN 105 HD22 ASN 105 197.449 -4.416 -24.135 857 H PHE 106 HN PHE 106 199.141 -9.867 -24.788 858 HA PHE 106 HA PHE 106 197.616 -8.903 -27.078 859 1HB PHE 106 HB2 PHE 106 199.983 -10.688 -26.706 860 2HB PHE 106 HB1 PHE 106 199.008 -10.881 -28.159 861 HD1 PHE 106 HD1 PHE 106 199.391 -9.528 -29.997 862 HD2 PHE 106 HD2 PHE 106 200.827 -8.313 -26.179 863 HE1 PHE 106 HE1 PHE 106 200.587 -7.652 -31.049 864 HE2 PHE 106 HE2 PHE 106 202.025 -6.434 -27.223 865 HZ PHE 106 HZ PHE 106 201.906 -6.102 -29.661 866 H VAL 107 HN VAL 107 195.590 -9.636 -26.015 867 HA VAL 107 HA VAL 107 195.173 -12.532 -26.132 868 HB VAL 107 HB VAL 107 194.434 -11.378 -24.089 869 1HG1 VAL 107 HG11 VAL 107 192.531 -9.854 -24.139 870 2HG1 VAL 107 HG12 VAL 107 192.501 -9.937 -25.900 871 3HG1 VAL 107 HG13 VAL 107 193.881 -9.213 -25.075 872 1HG2 VAL 107 HG21 VAL 107 193.279 -13.420 -24.975 873 2HG2 VAL 107 HG22 VAL 107 192.051 -12.352 -25.653 874 3HG2 VAL 107 HG23 VAL 107 192.297 -12.418 -23.907 875 H GLU 108 HN GLU 108 194.011 -13.484 -27.680 876 HA GLU 108 HA GLU 108 192.198 -11.891 -29.328 877 1HB GLU 108 HB2 GLU 108 194.430 -13.615 -30.419 878 2HB GLU 108 HB1 GLU 108 193.137 -12.932 -31.391 879 1HG GLU 108 HG2 GLU 108 194.863 -11.156 -29.725 880 2HG GLU 108 HG1 GLU 108 195.425 -11.742 -31.290 881 H GLU 109 HN GLU 109 191.494 -13.792 -31.174 882 HA GLU 109 HA GLU 109 189.942 -15.594 -29.546 883 1HB GLU 109 HB2 GLU 109 188.901 -16.260 -31.686 884 2HB GLU 109 HB1 GLU 109 188.876 -14.520 -31.441 885 1HG GLU 109 HG2 GLU 109 190.745 -14.248 -32.955 886 2HG GLU 109 HG1 GLU 109 190.858 -15.995 -33.159 887 H VAL 110 HN VAL 110 192.351 -16.396 -28.974 888 HA VAL 110 HA VAL 110 192.992 -18.651 -30.741 889 HB VAL 110 HB VAL 110 194.859 -17.125 -30.319 890 1HG1 VAL 110 HG11 VAL 110 195.787 -17.417 -27.843 891 2HG1 VAL 110 HG12 VAL 110 194.063 -17.571 -27.500 892 3HG1 VAL 110 HG13 VAL 110 194.678 -16.120 -28.291 893 1HG2 VAL 110 HG21 VAL 110 195.342 -19.714 -28.860 894 2HG2 VAL 110 HG22 VAL 110 196.500 -18.760 -29.785 895 3HG2 VAL 110 HG23 VAL 110 195.190 -19.601 -30.613 896 H GLU 111 HN GLU 111 191.399 -17.949 -27.897 897 HA GLU 111 HA GLU 111 192.103 -20.384 -26.496 898 1HB GLU 111 HB2 GLU 111 190.620 -17.926 -25.887 899 2HB GLU 111 HB1 GLU 111 189.912 -19.377 -25.188 900 1HG GLU 111 HG2 GLU 111 192.499 -19.750 -24.542 901 2HG GLU 111 HG1 GLU 111 192.422 -17.988 -24.541 902 H GLU 112 HN GLU 112 190.109 -19.644 -29.041 903 HA GLU 112 HA GLU 112 188.498 -22.045 -28.557 904 1HB GLU 112 HB2 GLU 112 187.355 -19.657 -28.229 905 2HB GLU 112 HB1 GLU 112 187.198 -19.774 -29.976 906 1HG GLU 112 HG2 GLU 112 186.368 -22.250 -28.953 907 2HG GLU 112 HG1 GLU 112 185.641 -21.018 -27.922 908 H GLU 113 HN GLU 113 190.864 -21.051 -30.311 909 HA GLU 113 HA GLU 113 189.822 -21.410 -32.985 910 1HB GLU 113 HB2 GLU 113 192.339 -20.521 -31.773 911 2HB GLU 113 HB1 GLU 113 192.564 -21.512 -33.207 912 1HG GLU 113 HG2 GLU 113 190.519 -19.458 -33.524 913 2HG GLU 113 HG1 GLU 113 192.122 -18.814 -33.175 Start of MODEL 11 1 1H MET 1 HT1 MET 1 187.216 -0.279 -6.623 2 2H MET 1 HT2 MET 1 187.269 -0.693 -8.287 3 3H MET 1 HT3 MET 1 186.728 -1.840 -7.132 4 HA MET 1 HA MET 1 184.937 -0.225 -6.573 5 1HB MET 1 HB2 MET 1 185.571 0.857 -9.313 6 2HB MET 1 HB1 MET 1 184.473 1.513 -8.107 7 1HG MET 1 HG2 MET 1 186.266 2.277 -6.761 8 2HG MET 1 HG1 MET 1 187.448 1.376 -7.709 9 1HE MET 1 HE1 MET 1 188.759 3.420 -10.113 10 2HE MET 1 HE2 MET 1 187.450 2.588 -10.952 11 3HE MET 1 HE3 MET 1 188.320 1.776 -9.650 12 H THR 2 HN THR 2 184.985 -2.794 -7.068 13 HA THR 2 HA THR 2 183.979 -3.581 -9.617 14 HB THR 2 HB THR 2 183.486 -5.256 -7.202 15 HG1 THR 2 HG1 THR 2 186.076 -4.804 -8.261 16 1HG2 THR 2 HG21 THR 2 183.504 -6.935 -8.640 17 2HG2 THR 2 HG22 THR 2 185.045 -6.420 -9.326 18 3HG2 THR 2 HG23 THR 2 183.538 -5.731 -9.930 19 H MET 3 HN MET 3 182.425 -3.659 -6.418 20 HA MET 3 HA MET 3 180.322 -2.666 -5.924 21 1HB MET 3 HB2 MET 3 180.088 -1.822 -8.292 22 2HB MET 3 HB1 MET 3 179.452 -3.406 -8.717 23 1HG MET 3 HG2 MET 3 177.440 -2.926 -7.917 24 2HG MET 3 HG1 MET 3 178.101 -2.275 -6.419 25 1HE MET 3 HE1 MET 3 176.151 -1.046 -6.359 26 2HE MET 3 HE2 MET 3 175.484 -0.016 -7.624 27 3HE MET 3 HE3 MET 3 176.562 0.669 -6.409 28 H ASN 4 HN ASN 4 180.725 -4.639 -4.655 29 HA ASN 4 HA ASN 4 179.247 -6.993 -5.566 30 1HB ASN 4 HB2 ASN 4 181.157 -6.523 -3.277 31 2HB ASN 4 HB1 ASN 4 180.207 -7.999 -3.422 32 1HD2 ASN 4 HD21 ASN 4 180.291 -8.704 -5.941 33 2HD2 ASN 4 HD22 ASN 4 181.908 -8.934 -6.501 34 H ILE 5 HN ILE 5 177.258 -7.440 -4.863 35 HA ILE 5 HA ILE 5 176.333 -6.197 -2.366 36 HB ILE 5 HB ILE 5 174.675 -6.380 -4.882 37 1HG1 ILE 5 HG12 ILE 5 174.876 -3.722 -4.307 38 2HG1 ILE 5 HG11 ILE 5 176.471 -4.292 -3.824 39 1HG2 ILE 5 HG21 ILE 5 173.052 -5.041 -3.645 40 2HG2 ILE 5 HG22 ILE 5 174.096 -5.075 -2.225 41 3HG2 ILE 5 HG23 ILE 5 173.375 -6.568 -2.824 42 1HD1 ILE 5 HD11 ILE 5 175.355 -5.046 -6.487 43 2HD1 ILE 5 HD12 ILE 5 177.036 -4.921 -5.968 44 3HD1 ILE 5 HD13 ILE 5 176.085 -3.460 -6.237 45 H THR 6 HN THR 6 175.547 -7.637 -0.986 46 HA THR 6 HA THR 6 174.181 -10.020 -2.010 47 HB THR 6 HB THR 6 176.375 -10.073 0.075 48 HG1 THR 6 HG1 THR 6 177.619 -10.889 -1.447 49 1HG2 THR 6 HG21 THR 6 175.874 -12.659 -0.742 50 2HG2 THR 6 HG22 THR 6 174.269 -11.963 -0.514 51 3HG2 THR 6 HG23 THR 6 175.437 -11.940 0.808 52 H SER 7 HN SER 7 172.191 -9.423 -1.294 53 HA SER 7 HA SER 7 171.820 -8.427 1.404 54 1HB SER 7 HB2 SER 7 169.954 -8.905 -0.915 55 2HB SER 7 HB1 SER 7 169.365 -8.448 0.684 56 HG SER 7 HG SER 7 169.712 -6.638 -0.700 57 H LYS 8 HN LYS 8 170.442 -9.421 2.960 58 HA LYS 8 HA LYS 8 170.832 -12.232 3.193 59 1HB LYS 8 HB2 LYS 8 170.788 -10.815 5.170 60 2HB LYS 8 HB1 LYS 8 169.138 -10.322 4.813 61 1HG LYS 8 HG2 LYS 8 168.422 -11.982 6.090 62 2HG LYS 8 HG1 LYS 8 169.086 -13.120 4.916 63 1HD LYS 8 HD2 LYS 8 169.924 -13.590 7.159 64 2HD LYS 8 HD1 LYS 8 171.234 -13.077 6.094 65 1HE LYS 8 HE2 LYS 8 171.752 -11.689 7.783 66 2HE LYS 8 HE1 LYS 8 170.448 -10.699 7.129 67 1HZ LYS 8 HZ1 LYS 8 170.446 -11.259 9.618 68 2HZ LYS 8 HZ2 LYS 8 169.878 -12.777 9.138 69 3HZ LYS 8 HZ3 LYS 8 168.990 -11.387 8.765 70 H GLN 9 HN GLN 9 168.224 -10.204 2.095 71 HA GLN 9 HA GLN 9 166.909 -12.318 0.776 72 1HB GLN 9 HB2 GLN 9 164.895 -12.546 2.061 73 2HB GLN 9 HB1 GLN 9 166.260 -12.863 3.121 74 1HG GLN 9 HG2 GLN 9 165.416 -10.075 3.139 75 2HG GLN 9 HG1 GLN 9 164.156 -11.192 3.654 76 1HE2 GLN 9 HE21 GLN 9 166.915 -9.502 4.552 77 2HE2 GLN 9 HE22 GLN 9 167.177 -10.242 6.088 78 H MET 10 HN MET 10 166.792 -9.082 2.108 79 HA MET 10 HA MET 10 164.672 -8.187 0.397 80 1HB MET 10 HB2 MET 10 165.139 -7.193 2.623 81 2HB MET 10 HB1 MET 10 166.657 -6.561 2.001 82 1HG MET 10 HG2 MET 10 164.889 -4.871 2.067 83 2HG MET 10 HG1 MET 10 165.480 -5.165 0.434 84 1HE MET 10 HE1 MET 10 162.143 -3.817 0.558 85 2HE MET 10 HE2 MET 10 162.352 -4.561 -1.027 86 3HE MET 10 HE3 MET 10 163.721 -3.790 -0.227 87 H GLU 11 HN GLU 11 165.017 -8.160 -1.731 88 HA GLU 11 HA GLU 11 167.508 -7.878 -2.993 89 1HB GLU 11 HB2 GLU 11 166.295 -7.747 -5.049 90 2HB GLU 11 HB1 GLU 11 165.444 -8.876 -4.005 91 1HG GLU 11 HG2 GLU 11 164.118 -6.653 -3.372 92 2HG GLU 11 HG1 GLU 11 164.619 -6.221 -5.006 93 H ILE 12 HN ILE 12 167.871 -6.107 -4.707 94 HA ILE 12 HA ILE 12 167.610 -3.515 -3.346 95 HB ILE 12 HB ILE 12 169.408 -3.831 -5.697 96 1HG1 ILE 12 HG12 ILE 12 169.830 -5.873 -4.360 97 2HG1 ILE 12 HG11 ILE 12 171.204 -4.773 -4.337 98 1HG2 ILE 12 HG21 ILE 12 170.014 -2.498 -3.086 99 2HG2 ILE 12 HG22 ILE 12 168.968 -1.728 -4.279 100 3HG2 ILE 12 HG23 ILE 12 170.633 -2.132 -4.698 101 1HD1 ILE 12 HD11 ILE 12 170.994 -5.527 -2.142 102 2HD1 ILE 12 HD12 ILE 12 169.239 -5.352 -2.155 103 3HD1 ILE 12 HD13 ILE 12 170.269 -3.920 -2.131 104 H THR 13 HN THR 13 165.633 -2.773 -4.045 105 HA THR 13 HA THR 13 164.646 -2.984 -6.671 106 HB THR 13 HB THR 13 162.953 -1.433 -6.003 107 HG1 THR 13 HG1 THR 13 164.878 -0.587 -4.139 108 1HG2 THR 13 HG21 THR 13 163.733 -2.768 -3.432 109 2HG2 THR 13 HG22 THR 13 162.969 -3.617 -4.775 110 3HG2 THR 13 HG23 THR 13 162.122 -2.295 -3.971 111 HA PRO 14 HA PRO 14 166.694 -0.011 -9.181 112 1HB PRO 14 HB2 PRO 14 164.508 1.553 -10.001 113 2HB PRO 14 HB1 PRO 14 165.141 0.124 -10.822 114 1HG PRO 14 HG2 PRO 14 162.832 0.374 -8.957 115 2HG PRO 14 HG1 PRO 14 163.032 -0.683 -10.366 116 1HD PRO 14 HD2 PRO 14 163.238 -1.639 -7.877 117 2HD PRO 14 HD1 PRO 14 164.293 -2.232 -9.177 118 H ALA 15 HN ALA 15 164.216 1.335 -7.025 119 HA ALA 15 HA ALA 15 165.330 3.958 -6.982 120 1HB ALA 15 HB1 ALA 15 162.929 3.134 -6.376 121 2HB ALA 15 HB2 ALA 15 163.631 4.516 -5.532 122 3HB ALA 15 HB3 ALA 15 163.618 2.927 -4.765 123 H ILE 16 HN ILE 16 165.396 1.254 -4.670 124 HA ILE 16 HA ILE 16 167.055 2.557 -2.782 125 HB ILE 16 HB ILE 16 166.662 -0.409 -3.208 126 1HG1 ILE 16 HG12 ILE 16 165.233 1.532 -1.383 127 2HG1 ILE 16 HG11 ILE 16 164.550 0.794 -2.825 128 1HG2 ILE 16 HG21 ILE 16 168.193 1.162 -1.260 129 2HG2 ILE 16 HG22 ILE 16 168.349 -0.531 -1.729 130 3HG2 ILE 16 HG23 ILE 16 167.128 -0.052 -0.550 131 1HD1 ILE 16 HD11 ILE 16 163.848 -0.242 -0.669 132 2HD1 ILE 16 HD12 ILE 16 165.514 -0.777 -0.452 133 3HD1 ILE 16 HD13 ILE 16 164.572 -1.360 -1.824 134 H ARG 17 HN ARG 17 167.761 0.213 -5.362 135 HA ARG 17 HA ARG 17 170.474 -0.128 -4.897 136 1HB ARG 17 HB2 ARG 17 169.731 -1.595 -6.487 137 2HB ARG 17 HB1 ARG 17 168.687 -0.411 -7.254 138 1HG ARG 17 HG2 ARG 17 170.706 0.642 -8.250 139 2HG ARG 17 HG1 ARG 17 171.672 -0.668 -7.568 140 1HD ARG 17 HD2 ARG 17 171.068 -2.081 -9.189 141 2HD ARG 17 HD1 ARG 17 169.367 -1.634 -9.054 142 HE ARG 17 HE ARG 17 169.653 -0.370 -10.920 143 1HH1 ARG 17 HH11 ARG 17 172.751 -0.655 -9.339 144 2HH1 ARG 17 HH12 ARG 17 173.592 0.252 -10.550 145 1HH2 ARG 17 HH21 ARG 17 170.760 0.821 -12.516 146 2HH2 ARG 17 HH22 ARG 17 172.464 1.088 -12.353 147 H GLN 18 HN GLN 18 168.833 2.356 -6.831 148 HA GLN 18 HA GLN 18 171.149 3.631 -7.787 149 1HB GLN 18 HB2 GLN 18 168.884 4.007 -8.704 150 2HB GLN 18 HB1 GLN 18 168.441 4.853 -7.227 151 1HG GLN 18 HG2 GLN 18 168.952 6.435 -8.972 152 2HG GLN 18 HG1 GLN 18 170.158 6.539 -7.690 153 1HE2 GLN 18 HE21 GLN 18 172.113 6.843 -8.452 154 2HE2 GLN 18 HE22 GLN 18 172.761 6.177 -9.908 155 H HIS 19 HN HIS 19 169.253 4.092 -4.845 156 HA HIS 19 HA HIS 19 170.487 6.422 -3.916 157 1HB HIS 19 HB2 HIS 19 168.528 4.672 -2.989 158 2HB HIS 19 HB1 HIS 19 169.791 4.590 -1.765 159 HD1 HIS 19 HD1 HIS 19 167.642 7.175 -3.526 160 HD2 HIS 19 HD2 HIS 19 169.784 6.669 -0.004 161 HE1 HIS 19 HE1 HIS 19 167.112 9.191 -2.118 162 HE2 HIS 19 HE2 HIS 19 168.471 8.894 -0.019 163 H VAL 20 HN VAL 20 171.241 3.021 -3.149 164 HA VAL 20 HA VAL 20 173.481 3.593 -1.531 165 HB VAL 20 HB VAL 20 172.836 1.082 -3.085 166 1HG1 VAL 20 HG11 VAL 20 174.343 0.303 -0.947 167 2HG1 VAL 20 HG12 VAL 20 175.121 1.817 -1.410 168 3HG1 VAL 20 HG13 VAL 20 174.948 0.518 -2.589 169 1HG2 VAL 20 HG21 VAL 20 171.157 1.783 -1.392 170 2HG2 VAL 20 HG22 VAL 20 172.417 1.688 -0.163 171 3HG2 VAL 20 HG23 VAL 20 171.922 0.236 -1.032 172 H ALA 21 HN ALA 21 173.311 2.446 -4.905 173 HA ALA 21 HA ALA 21 176.000 2.427 -5.498 174 1HB ALA 21 HB1 ALA 21 173.720 1.971 -6.909 175 2HB ALA 21 HB2 ALA 21 175.342 1.998 -7.600 176 3HB ALA 21 HB3 ALA 21 174.325 3.435 -7.682 177 H ASP 22 HN ASP 22 173.747 5.161 -5.707 178 HA ASP 22 HA ASP 22 175.508 7.020 -6.835 179 1HB ASP 22 HB2 ASP 22 173.060 7.360 -6.626 180 2HB ASP 22 HB1 ASP 22 173.256 7.566 -4.887 181 H ARG 23 HN ARG 23 174.866 6.204 -3.450 182 HA ARG 23 HA ARG 23 176.629 8.169 -2.380 183 1HB ARG 23 HB2 ARG 23 174.658 6.748 -1.292 184 2HB ARG 23 HB1 ARG 23 175.994 5.696 -0.845 185 1HG ARG 23 HG2 ARG 23 176.406 6.999 0.891 186 2HG ARG 23 HG1 ARG 23 176.797 8.318 -0.213 187 1HD ARG 23 HD2 ARG 23 173.942 8.002 0.023 188 2HD ARG 23 HD1 ARG 23 174.680 8.191 1.613 189 HE ARG 23 HE ARG 23 175.683 10.114 -0.222 190 1HH1 ARG 23 HH11 ARG 23 172.908 9.360 1.755 191 2HH1 ARG 23 HH12 ARG 23 172.424 11.013 1.929 192 1HH2 ARG 23 HH21 ARG 23 175.049 12.291 0.007 193 2HH2 ARG 23 HH22 ARG 23 173.641 12.678 0.937 194 H LEU 24 HN LEU 24 176.901 4.638 -2.783 195 HA LEU 24 HA LEU 24 179.519 4.390 -1.820 196 1HB LEU 24 HB2 LEU 24 177.936 2.510 -2.217 197 2HB LEU 24 HB1 LEU 24 178.189 2.702 -3.940 198 HG LEU 24 HG LEU 24 180.741 2.394 -3.187 199 1HD1 LEU 24 HD11 LEU 24 180.815 1.916 -0.997 200 2HD1 LEU 24 HD12 LEU 24 180.335 0.300 -1.517 201 3HD1 LEU 24 HD13 LEU 24 179.118 1.437 -0.936 202 1HD2 LEU 24 HD21 LEU 24 179.501 -0.215 -3.326 203 2HD2 LEU 24 HD22 LEU 24 180.554 0.596 -4.484 204 3HD2 LEU 24 HD23 LEU 24 178.816 0.893 -4.515 205 H ALA 25 HN ALA 25 178.295 5.086 -5.057 206 HA ALA 25 HA ALA 25 180.772 4.895 -6.403 207 1HB ALA 25 HB1 ALA 25 178.151 6.193 -7.041 208 2HB ALA 25 HB2 ALA 25 178.925 4.804 -7.804 209 3HB ALA 25 HB3 ALA 25 179.551 6.427 -8.089 210 H LYS 26 HN LYS 26 178.949 7.786 -5.367 211 HA LYS 26 HA LYS 26 180.835 9.696 -6.040 212 1HB LYS 26 HB2 LYS 26 178.460 9.563 -4.379 213 2HB LYS 26 HB1 LYS 26 179.659 10.651 -3.694 214 1HG LYS 26 HG2 LYS 26 179.744 11.907 -5.766 215 2HG LYS 26 HG1 LYS 26 178.597 10.788 -6.508 216 1HD LYS 26 HD2 LYS 26 178.010 12.447 -4.057 217 2HD LYS 26 HD1 LYS 26 177.572 12.914 -5.701 218 1HE LYS 26 HE2 LYS 26 176.209 10.899 -5.917 219 2HE LYS 26 HE1 LYS 26 176.661 10.412 -4.283 220 1HZ LYS 26 HZ1 LYS 26 175.103 12.827 -5.033 221 2HZ LYS 26 HZ2 LYS 26 175.602 12.453 -3.461 222 3HZ LYS 26 HZ3 LYS 26 174.505 11.443 -4.262 223 H LEU 27 HN LEU 27 180.831 7.463 -3.388 224 HA LEU 27 HA LEU 27 182.641 8.839 -1.699 225 1HB LEU 27 HB2 LEU 27 181.183 6.440 -1.626 226 2HB LEU 27 HB1 LEU 27 182.866 5.974 -1.460 227 HG LEU 27 HG LEU 27 181.834 8.191 0.249 228 1HD1 LEU 27 HD11 LEU 27 180.973 6.676 1.890 229 2HD1 LEU 27 HD12 LEU 27 181.419 5.281 0.906 230 3HD1 LEU 27 HD13 LEU 27 180.144 6.371 0.363 231 1HD2 LEU 27 HD21 LEU 27 183.546 6.029 1.284 232 2HD2 LEU 27 HD22 LEU 27 183.665 7.777 1.494 233 3HD2 LEU 27 HD23 LEU 27 184.253 7.023 0.010 234 H GLU 28 HN GLU 28 183.097 7.220 -4.667 235 HA GLU 28 HA GLU 28 185.706 6.221 -4.296 236 1HB GLU 28 HB2 GLU 28 185.766 5.857 -6.604 237 2HB GLU 28 HB1 GLU 28 184.058 5.742 -6.207 238 1HG GLU 28 HG2 GLU 28 183.649 7.941 -7.071 239 2HG GLU 28 HG1 GLU 28 185.374 8.215 -7.309 240 H LYS 29 HN LYS 29 184.562 9.417 -4.504 241 HA LYS 29 HA LYS 29 187.113 10.472 -5.443 242 1HB LYS 29 HB2 LYS 29 184.380 11.597 -5.036 243 2HB LYS 29 HB1 LYS 29 185.752 12.696 -4.975 244 1HG LYS 29 HG2 LYS 29 185.954 10.961 -7.261 245 2HG LYS 29 HG1 LYS 29 184.396 11.791 -7.238 246 1HD LYS 29 HD2 LYS 29 185.568 13.939 -6.970 247 2HD LYS 29 HD1 LYS 29 187.113 13.092 -7.047 248 1HE LYS 29 HE2 LYS 29 185.029 13.273 -9.218 249 2HE LYS 29 HE1 LYS 29 186.619 14.036 -9.207 250 1HZ LYS 29 HZ1 LYS 29 186.623 12.052 -10.569 251 2HZ LYS 29 HZ2 LYS 29 186.095 11.113 -9.264 252 3HZ LYS 29 HZ3 LYS 29 187.626 11.832 -9.224 253 H TRP 30 HN TRP 30 186.700 9.135 -2.775 254 HA TRP 30 HA TRP 30 187.281 11.356 -0.957 255 1HB TRP 30 HB2 TRP 30 186.218 8.619 -0.645 256 2HB TRP 30 HB1 TRP 30 187.323 9.136 0.622 257 HD1 TRP 30 HD1 TRP 30 184.055 10.365 -1.068 258 HE1 TRP 30 HE1 TRP 30 182.681 11.634 0.700 259 HE3 TRP 30 HE3 TRP 30 187.372 10.189 2.819 260 HZ2 TRP 30 HZ2 TRP 30 182.965 12.449 3.390 261 HZ3 TRP 30 HZ3 TRP 30 186.745 11.237 4.954 262 HH2 TRP 30 HH2 TRP 30 184.587 12.345 5.231 263 H GLN 31 HN GLN 31 189.207 10.628 -2.944 264 HA GLN 31 HA GLN 31 191.448 10.316 -3.153 265 1HB GLN 31 HB2 GLN 31 191.055 11.157 -0.402 266 2HB GLN 31 HB1 GLN 31 192.471 10.128 -0.569 267 1HG GLN 31 HG2 GLN 31 191.913 12.645 -2.123 268 2HG GLN 31 HG1 GLN 31 193.054 12.472 -0.789 269 1HE2 GLN 31 HE21 GLN 31 193.842 13.427 -3.244 270 2HE2 GLN 31 HE22 GLN 31 194.884 12.274 -4.000 271 H THR 32 HN THR 32 189.450 8.035 -1.883 272 HA THR 32 HA THR 32 191.490 6.076 -1.237 273 HB THR 32 HB THR 32 188.645 5.273 -1.514 274 HG1 THR 32 HG1 THR 32 187.923 6.506 0.043 275 1HG2 THR 32 HG21 THR 32 189.607 4.690 1.030 276 2HG2 THR 32 HG22 THR 32 190.965 4.407 -0.060 277 3HG2 THR 32 HG23 THR 32 189.429 3.582 -0.332 278 H HIS 33 HN HIS 33 191.009 3.792 -2.211 279 HA HIS 33 HA HIS 33 190.616 4.091 -5.114 280 1HB HIS 33 HB2 HIS 33 192.639 2.324 -3.725 281 2HB HIS 33 HB1 HIS 33 192.372 2.407 -5.464 282 HD1 HIS 33 HD1 HIS 33 194.298 3.599 -6.451 283 HD2 HIS 33 HD2 HIS 33 193.063 5.348 -2.889 284 HE1 HIS 33 HE1 HIS 33 195.750 5.632 -6.161 285 HE2 HIS 33 HE2 HIS 33 194.926 6.720 -4.044 286 H LEU 34 HN LEU 34 189.232 2.871 -2.486 287 HA LEU 34 HA LEU 34 188.480 0.555 -2.071 288 1HB LEU 34 HB2 LEU 34 186.235 1.618 -3.663 289 2HB LEU 34 HB1 LEU 34 186.268 1.031 -2.013 290 HG LEU 34 HG LEU 34 187.712 3.472 -2.038 291 1HD1 LEU 34 HD11 LEU 34 185.392 3.438 -3.863 292 2HD1 LEU 34 HD12 LEU 34 186.825 4.467 -3.863 293 3HD1 LEU 34 HD13 LEU 34 185.504 4.795 -2.742 294 1HD2 LEU 34 HD21 LEU 34 184.894 3.214 -1.091 295 2HD2 LEU 34 HD22 LEU 34 186.256 4.056 -0.350 296 3HD2 LEU 34 HD23 LEU 34 186.180 2.295 -0.310 297 H ILE 35 HN ILE 35 188.765 -1.375 -2.937 298 HA ILE 35 HA ILE 35 188.395 -1.697 -5.837 299 HB ILE 35 HB ILE 35 189.829 -3.604 -3.999 300 1HG1 ILE 35 HG12 ILE 35 191.138 -1.554 -5.786 301 2HG1 ILE 35 HG11 ILE 35 190.814 -1.252 -4.082 302 1HG2 ILE 35 HG21 ILE 35 190.344 -4.813 -5.829 303 2HG2 ILE 35 HG22 ILE 35 190.510 -3.387 -6.855 304 3HG2 ILE 35 HG23 ILE 35 188.910 -4.034 -6.496 305 1HD1 ILE 35 HD11 ILE 35 193.040 -2.517 -5.228 306 2HD1 ILE 35 HD12 ILE 35 192.146 -3.758 -4.350 307 3HD1 ILE 35 HD13 ILE 35 192.674 -2.296 -3.518 308 H ASN 36 HN ASN 36 187.721 -3.328 -2.744 309 HA ASN 36 HA ASN 36 185.637 -4.887 -4.120 310 1HB ASN 36 HB2 ASN 36 187.639 -5.591 -2.140 311 2HB ASN 36 HB1 ASN 36 186.025 -6.021 -1.610 312 1HD2 ASN 36 HD21 ASN 36 187.099 -5.928 -4.921 313 2HD2 ASN 36 HD22 ASN 36 186.932 -7.616 -5.183 314 HA PRO 37 HA PRO 37 183.267 -2.105 -1.317 315 1HB PRO 37 HB2 PRO 37 181.541 -1.131 -3.104 316 2HB PRO 37 HB1 PRO 37 183.195 -0.515 -3.010 317 1HG PRO 37 HG2 PRO 37 182.005 -2.459 -4.943 318 2HG PRO 37 HG1 PRO 37 183.138 -1.130 -5.247 319 1HD PRO 37 HD2 PRO 37 183.859 -3.789 -4.978 320 2HD PRO 37 HD1 PRO 37 184.950 -2.414 -4.725 321 H HIS 38 HN HIS 38 182.416 -3.928 -0.229 322 HA HIS 38 HA HIS 38 180.318 -5.490 -1.470 323 1HB HIS 38 HB2 HIS 38 182.147 -5.927 0.603 324 2HB HIS 38 HB1 HIS 38 180.576 -5.871 1.393 325 HD1 HIS 38 HD1 HIS 38 182.783 -8.215 -0.036 326 HD2 HIS 38 HD2 HIS 38 178.668 -7.662 -0.210 327 HE1 HIS 38 HE1 HIS 38 181.837 -10.434 -0.745 328 HE2 HIS 38 HE2 HIS 38 179.338 -10.104 -0.736 329 H ILE 39 HN ILE 39 178.146 -5.462 -0.938 330 HA ILE 39 HA ILE 39 177.232 -3.492 1.016 331 HB ILE 39 HB ILE 39 176.144 -3.564 -1.795 332 1HG1 ILE 39 HG12 ILE 39 178.183 -1.828 -0.448 333 2HG1 ILE 39 HG11 ILE 39 178.196 -2.502 -2.073 334 1HG2 ILE 39 HG21 ILE 39 174.815 -1.667 -1.136 335 2HG2 ILE 39 HG22 ILE 39 175.568 -1.644 0.459 336 3HG2 ILE 39 HG23 ILE 39 174.526 -2.989 -0.005 337 1HD1 ILE 39 HD11 ILE 39 176.487 -0.225 -1.111 338 2HD1 ILE 39 HD12 ILE 39 176.473 -0.901 -2.740 339 3HD1 ILE 39 HD13 ILE 39 177.921 -0.099 -2.127 340 H ILE 40 HN ILE 40 176.052 -4.648 2.374 341 HA ILE 40 HA ILE 40 174.277 -6.731 1.291 342 HB ILE 40 HB ILE 40 175.241 -6.435 4.137 343 1HG1 ILE 40 HG12 ILE 40 176.192 -8.297 1.949 344 2HG1 ILE 40 HG11 ILE 40 177.106 -6.957 2.633 345 1HG2 ILE 40 HG21 ILE 40 173.083 -7.853 3.103 346 2HG2 ILE 40 HG22 ILE 40 173.832 -8.066 4.685 347 3HG2 ILE 40 HG23 ILE 40 174.349 -9.060 3.324 348 1HD1 ILE 40 HD11 ILE 40 176.733 -9.668 3.616 349 2HD1 ILE 40 HD12 ILE 40 176.469 -8.433 4.846 350 3HD1 ILE 40 HD13 ILE 40 177.998 -8.493 3.970 351 H LEU 41 HN LEU 41 172.310 -5.876 0.972 352 HA LEU 41 HA LEU 41 171.228 -4.037 2.994 353 1HB LEU 41 HB2 LEU 41 171.256 -3.116 0.767 354 2HB LEU 41 HB1 LEU 41 170.448 -4.530 0.124 355 HG LEU 41 HG LEU 41 168.880 -3.281 2.222 356 1HD1 LEU 41 HD11 LEU 41 169.812 -1.202 1.599 357 2HD1 LEU 41 HD12 LEU 41 168.250 -1.305 0.787 358 3HD1 LEU 41 HD13 LEU 41 169.734 -1.598 -0.118 359 1HD2 LEU 41 HD21 LEU 41 167.118 -3.529 0.648 360 2HD2 LEU 41 HD22 LEU 41 168.148 -4.951 0.493 361 3HD2 LEU 41 HD23 LEU 41 168.250 -3.656 -0.698 362 H SER 42 HN SER 42 170.278 -5.278 4.528 363 HA SER 42 HA SER 42 168.356 -7.315 3.617 364 1HB SER 42 HB2 SER 42 169.622 -7.141 6.356 365 2HB SER 42 HB1 SER 42 168.694 -8.483 5.684 366 HG SER 42 HG SER 42 171.275 -7.589 4.944 367 H LYS 43 HN LYS 43 166.546 -7.669 5.243 368 HA LYS 43 HA LYS 43 165.483 -5.050 6.071 369 1HB LYS 43 HB2 LYS 43 164.333 -7.091 4.448 370 2HB LYS 43 HB1 LYS 43 163.423 -7.039 5.950 371 1HG LYS 43 HG2 LYS 43 163.359 -4.490 5.542 372 2HG LYS 43 HG1 LYS 43 163.787 -4.917 3.884 373 1HD LYS 43 HD2 LYS 43 161.368 -4.711 4.140 374 2HD LYS 43 HD1 LYS 43 161.824 -6.370 3.749 375 1HE LYS 43 HE2 LYS 43 161.734 -5.836 6.617 376 2HE LYS 43 HE1 LYS 43 160.185 -5.593 5.812 377 1HZ LYS 43 HZ1 LYS 43 161.720 -8.048 6.188 378 2HZ LYS 43 HZ2 LYS 43 160.857 -7.895 4.742 379 3HZ LYS 43 HZ3 LYS 43 160.046 -7.803 6.223 380 H GLU 44 HN GLU 44 165.581 -4.757 8.211 381 HA GLU 44 HA GLU 44 165.308 -7.111 9.954 382 1HB GLU 44 HB2 GLU 44 167.105 -4.855 9.972 383 2HB GLU 44 HB1 GLU 44 166.225 -4.943 11.489 384 1HG GLU 44 HG2 GLU 44 167.391 -7.458 10.453 385 2HG GLU 44 HG1 GLU 44 168.502 -6.239 11.078 386 HA PRO 45 HA PRO 45 161.304 -6.132 11.522 387 1HB PRO 45 HB2 PRO 45 162.538 -6.080 14.197 388 2HB PRO 45 HB1 PRO 45 161.247 -7.103 13.579 389 1HG PRO 45 HG2 PRO 45 163.996 -7.761 13.896 390 2HG PRO 45 HG1 PRO 45 162.718 -8.767 13.202 391 1HD PRO 45 HD2 PRO 45 164.896 -7.698 11.825 392 2HD PRO 45 HD1 PRO 45 163.422 -8.353 11.089 393 H GLN 46 HN GLN 46 163.973 -4.536 13.261 394 HA GLN 46 HA GLN 46 162.307 -2.181 13.655 395 1HB GLN 46 HB2 GLN 46 163.877 -3.437 15.377 396 2HB GLN 46 HB1 GLN 46 165.087 -2.351 14.701 397 1HG GLN 46 HG2 GLN 46 164.392 -0.903 16.240 398 2HG GLN 46 HG1 GLN 46 163.001 -0.656 15.185 399 1HE2 GLN 46 HE21 GLN 46 161.643 -3.021 15.570 400 2HE2 GLN 46 HE22 GLN 46 161.081 -3.099 17.202 401 H GLY 47 HN GLY 47 163.542 -2.850 10.983 402 1HA GLY 47 HA2 GLY 47 163.867 -0.699 9.654 403 2HA GLY 47 HA1 GLY 47 165.243 -0.452 10.712 404 H PHE 48 HN PHE 48 165.735 -0.320 8.152 405 HA PHE 48 HA PHE 48 166.420 -2.785 6.884 406 1HB PHE 48 HB2 PHE 48 166.539 0.073 6.284 407 2HB PHE 48 HB1 PHE 48 167.929 -0.806 5.663 408 HD1 PHE 48 HD1 PHE 48 167.396 -0.426 3.387 409 HD2 PHE 48 HD2 PHE 48 164.601 -2.352 5.953 410 HE1 PHE 48 HE1 PHE 48 166.075 -1.100 1.433 411 HE2 PHE 48 HE2 PHE 48 163.272 -3.026 3.993 412 HZ PHE 48 HZ PHE 48 164.011 -2.410 1.731 413 H VAL 49 HN VAL 49 168.471 -3.655 6.528 414 HA VAL 49 HA VAL 49 170.537 -2.808 8.452 415 HB VAL 49 HB VAL 49 170.355 -5.516 7.145 416 1HG1 VAL 49 HG11 VAL 49 172.029 -4.262 9.258 417 2HG1 VAL 49 HG12 VAL 49 172.474 -5.407 7.992 418 3HG1 VAL 49 HG13 VAL 49 171.615 -5.969 9.426 419 1HG2 VAL 49 HG21 VAL 49 169.226 -4.629 9.791 420 2HG2 VAL 49 HG22 VAL 49 169.346 -6.304 9.248 421 3HG2 VAL 49 HG23 VAL 49 168.311 -5.166 8.383 422 H ALA 50 HN ALA 50 171.132 -1.203 6.756 423 HA ALA 50 HA ALA 50 172.235 -2.099 4.277 424 1HB ALA 50 HB1 ALA 50 173.286 0.323 4.448 425 2HB ALA 50 HB2 ALA 50 172.073 0.493 5.716 426 3HB ALA 50 HB3 ALA 50 171.580 0.074 4.074 427 H ASP 51 HN ASP 51 173.642 -3.792 5.179 428 HA ASP 51 HA ASP 51 176.004 -2.893 6.607 429 1HB ASP 51 HB2 ASP 51 174.622 -5.379 6.284 430 2HB ASP 51 HB1 ASP 51 176.294 -5.594 5.775 431 H ALA 52 HN ALA 52 177.012 -1.553 5.093 432 HA ALA 52 HA ALA 52 177.922 -2.800 2.600 433 1HB ALA 52 HB1 ALA 52 177.478 -0.007 3.484 434 2HB ALA 52 HB2 ALA 52 177.123 -0.780 1.939 435 3HB ALA 52 HB3 ALA 52 178.774 -0.295 2.322 436 H THR 53 HN THR 53 179.841 -3.759 2.653 437 HA THR 53 HA THR 53 181.919 -2.667 4.434 438 HB THR 53 HB THR 53 181.622 -5.489 3.385 439 HG1 THR 53 HG1 THR 53 181.160 -5.946 5.585 440 1HG2 THR 53 HG21 THR 53 183.778 -4.143 4.870 441 2HG2 THR 53 HG22 THR 53 183.828 -5.550 3.805 442 3HG2 THR 53 HG23 THR 53 183.279 -5.724 5.472 443 H ILE 54 HN ILE 54 183.174 -1.376 3.232 444 HA ILE 54 HA ILE 54 183.919 -2.244 0.530 445 HB ILE 54 HB ILE 54 184.654 0.452 1.579 446 1HG1 ILE 54 HG12 ILE 54 181.908 -0.207 0.488 447 2HG1 ILE 54 HG11 ILE 54 182.251 0.078 2.190 448 1HG2 ILE 54 HG21 ILE 54 184.690 1.070 -0.648 449 2HG2 ILE 54 HG22 ILE 54 183.570 -0.201 -1.127 450 3HG2 ILE 54 HG23 ILE 54 185.236 -0.604 -0.717 451 1HD1 ILE 54 HD11 ILE 54 181.319 2.051 1.154 452 2HD1 ILE 54 HD12 ILE 54 182.611 2.056 -0.047 453 3HD1 ILE 54 HD13 ILE 54 182.984 2.346 1.652 454 H ASN 55 HN ASN 55 185.964 -2.742 -0.009 455 HA ASN 55 HA ASN 55 187.937 -2.810 2.147 456 1HB ASN 55 HB2 ASN 55 187.227 -4.652 0.192 457 2HB ASN 55 HB1 ASN 55 188.761 -4.005 -0.380 458 1HD2 ASN 55 HD21 ASN 55 189.955 -3.480 2.091 459 2HD2 ASN 55 HD22 ASN 55 190.295 -4.986 2.865 460 H THR 56 HN THR 56 188.846 -0.811 2.258 461 HA THR 56 HA THR 56 189.789 0.478 -0.182 462 HB THR 56 HB THR 56 190.339 2.378 1.321 463 HG1 THR 56 HG1 THR 56 189.133 0.804 3.342 464 1HG2 THR 56 HG21 THR 56 188.253 3.186 1.339 465 2HG2 THR 56 HG22 THR 56 187.603 1.785 2.190 466 3HG2 THR 56 HG23 THR 56 187.883 1.708 0.452 467 HA PRO 57 HA PRO 57 194.018 -0.694 0.114 468 1HB PRO 57 HB2 PRO 57 195.296 1.714 -0.283 469 2HB PRO 57 HB1 PRO 57 194.617 0.717 -1.575 470 1HG PRO 57 HG2 PRO 57 193.444 3.107 -0.208 471 2HG PRO 57 HG1 PRO 57 193.429 2.680 -1.930 472 1HD PRO 57 HD2 PRO 57 191.280 2.291 -0.382 473 2HD PRO 57 HD1 PRO 57 191.717 1.135 -1.659 474 H ASN 58 HN ASN 58 192.746 1.743 2.210 475 HA ASN 58 HA ASN 58 195.087 1.523 3.972 476 1HB ASN 58 HB2 ASN 58 194.370 3.808 3.275 477 2HB ASN 58 HB1 ASN 58 192.838 3.540 4.102 478 1HD2 ASN 58 HD21 ASN 58 196.232 2.889 4.913 479 2HD2 ASN 58 HD22 ASN 58 196.203 3.710 6.432 480 H GLY 59 HN GLY 59 192.200 0.030 3.580 481 1HA GLY 59 HA2 GLY 59 192.089 -1.507 5.744 482 2HA GLY 59 HA1 GLY 59 191.431 -0.014 6.391 483 H VAL 60 HN VAL 60 189.516 -1.313 6.811 484 HA VAL 60 HA VAL 60 187.869 -1.696 4.396 485 HB VAL 60 HB VAL 60 187.495 -3.073 7.057 486 1HG1 VAL 60 HG11 VAL 60 185.546 -3.777 6.260 487 2HG1 VAL 60 HG12 VAL 60 186.329 -4.414 4.814 488 3HG1 VAL 60 HG13 VAL 60 185.774 -2.741 4.852 489 1HG2 VAL 60 HG21 VAL 60 188.440 -4.490 4.608 490 2HG2 VAL 60 HG22 VAL 60 188.654 -4.912 6.308 491 3HG2 VAL 60 HG23 VAL 60 189.603 -3.607 5.597 492 H LEU 61 HN LEU 61 186.245 -0.326 4.162 493 HA LEU 61 HA LEU 61 185.349 1.239 6.473 494 1HB LEU 61 HB2 LEU 61 185.227 1.637 3.504 495 2HB LEU 61 HB1 LEU 61 184.131 2.514 4.553 496 HG LEU 61 HG LEU 61 186.060 3.881 3.999 497 1HD1 LEU 61 HD11 LEU 61 186.769 3.340 6.776 498 2HD1 LEU 61 HD12 LEU 61 185.035 3.491 6.505 499 3HD1 LEU 61 HD13 LEU 61 186.118 4.800 6.032 500 1HD2 LEU 61 HD21 LEU 61 188.153 3.124 3.924 501 2HD2 LEU 61 HD22 LEU 61 187.485 1.509 4.156 502 3HD2 LEU 61 HD23 LEU 61 188.042 2.439 5.546 503 H VAL 62 HN VAL 62 183.947 -0.214 7.471 504 HA VAL 62 HA VAL 62 181.764 -1.333 5.898 505 HB VAL 62 HB VAL 62 182.292 -1.696 8.846 506 1HG1 VAL 62 HG11 VAL 62 180.941 -3.771 8.481 507 2HG1 VAL 62 HG12 VAL 62 180.560 -3.168 6.868 508 3HG1 VAL 62 HG13 VAL 62 180.042 -2.266 8.292 509 1HG2 VAL 62 HG21 VAL 62 183.905 -3.169 8.408 510 2HG2 VAL 62 HG22 VAL 62 183.904 -2.567 6.750 511 3HG2 VAL 62 HG23 VAL 62 182.928 -3.973 7.179 512 H ALA 63 HN ALA 63 180.301 0.241 5.466 513 HA ALA 63 HA ALA 63 179.407 2.007 7.610 514 1HB ALA 63 HB1 ALA 63 178.581 3.418 5.990 515 2HB ALA 63 HB2 ALA 63 178.336 2.116 4.829 516 3HB ALA 63 HB3 ALA 63 179.963 2.695 5.170 517 H SER 64 HN SER 64 178.138 0.674 8.908 518 HA SER 64 HA SER 64 176.001 -0.890 7.741 519 1HB SER 64 HB2 SER 64 175.899 -0.517 10.642 520 2HB SER 64 HB1 SER 64 175.997 -2.003 9.701 521 HG SER 64 HG SER 64 178.293 -1.377 9.406 522 H GLY 65 HN GLY 65 174.209 0.086 7.071 523 1HA GLY 65 HA2 GLY 65 173.301 2.509 8.462 524 2HA GLY 65 HA1 GLY 65 172.823 2.019 6.842 525 H LYS 66 HN LYS 66 172.050 1.954 10.153 526 HA LYS 66 HA LYS 66 169.903 -0.001 9.692 527 1HB LYS 66 HB2 LYS 66 171.320 -0.671 11.512 528 2HB LYS 66 HB1 LYS 66 171.236 0.928 12.234 529 1HG LYS 66 HG2 LYS 66 168.610 -0.252 11.899 530 2HG LYS 66 HG1 LYS 66 169.678 -1.259 12.879 531 1HD LYS 66 HD2 LYS 66 170.100 0.556 14.391 532 2HD LYS 66 HD1 LYS 66 169.234 1.687 13.351 533 1HE LYS 66 HE2 LYS 66 167.623 -0.620 14.097 534 2HE LYS 66 HE1 LYS 66 168.179 0.302 15.494 535 1HZ LYS 66 HZ1 LYS 66 166.992 1.704 13.194 536 2HZ LYS 66 HZ2 LYS 66 167.052 2.173 14.817 537 3HZ LYS 66 HZ3 LYS 66 165.985 0.955 14.330 538 H HIS 67 HN HIS 67 167.942 0.836 9.333 539 HA HIS 67 HA HIS 67 166.843 2.835 11.043 540 1HB HIS 67 HB2 HIS 67 168.365 3.864 8.945 541 2HB HIS 67 HB1 HIS 67 166.699 4.026 8.402 542 HD1 HIS 67 HD1 HIS 67 169.000 5.121 11.179 543 HD2 HIS 67 HD2 HIS 67 165.236 6.003 9.658 544 HE1 HIS 67 HE1 HIS 67 168.265 7.208 12.373 545 HE2 HIS 67 HE2 HIS 67 165.951 7.677 11.496 546 H GLU 68 HN GLU 68 164.631 3.200 10.725 547 HA GLU 68 HA GLU 68 163.113 1.061 9.881 548 1HB GLU 68 HB2 GLU 68 162.587 3.855 10.631 549 2HB GLU 68 HB1 GLU 68 161.350 3.130 9.613 550 1HG GLU 68 HG2 GLU 68 162.353 1.744 12.070 551 2HG GLU 68 HG1 GLU 68 161.087 2.968 12.151 552 H ASP 69 HN ASP 69 163.658 4.109 8.110 553 HA ASP 69 HA ASP 69 162.459 2.916 5.734 554 1HB ASP 69 HB2 ASP 69 162.705 5.586 6.754 555 2HB ASP 69 HB1 ASP 69 163.426 5.515 5.149 556 H MET 70 HN MET 70 163.558 2.248 4.012 557 HA MET 70 HA MET 70 166.196 1.532 4.113 558 1HB MET 70 HB2 MET 70 166.055 1.007 1.799 559 2HB MET 70 HB1 MET 70 164.475 0.713 2.499 560 1HG MET 70 HG2 MET 70 165.191 3.202 0.972 561 2HG MET 70 HG1 MET 70 164.451 1.777 0.258 562 1HE MET 70 HE1 MET 70 161.214 1.713 0.528 563 2HE MET 70 HE2 MET 70 162.598 2.004 -0.528 564 3HE MET 70 HE3 MET 70 161.443 3.299 -0.212 565 H TYR 71 HN TYR 71 164.911 4.407 2.445 566 HA TYR 71 HA TYR 71 167.344 5.388 1.521 567 1HB TYR 71 HB2 TYR 71 164.701 6.637 2.121 568 2HB TYR 71 HB1 TYR 71 166.073 7.688 1.786 569 HD1 TYR 71 HD1 TYR 71 164.236 8.267 -0.065 570 HD2 TYR 71 HD2 TYR 71 166.586 4.716 0.000 571 HE1 TYR 71 HE1 TYR 71 163.866 7.975 -2.479 572 HE2 TYR 71 HE2 TYR 71 166.231 4.419 -2.403 573 HH TYR 71 HH TYR 71 163.880 6.103 -4.133 574 H THR 72 HN THR 72 165.913 5.573 4.694 575 HA THR 72 HA THR 72 167.660 7.609 5.673 576 HB THR 72 HB THR 72 166.778 5.893 7.792 577 HG1 THR 72 HG1 THR 72 164.944 5.218 7.086 578 1HG2 THR 72 HG21 THR 72 165.543 7.782 8.539 579 2HG2 THR 72 HG22 THR 72 165.614 8.527 6.942 580 3HG2 THR 72 HG23 THR 72 167.084 8.354 7.901 581 H ALA 73 HN ALA 73 167.760 4.122 5.445 582 HA ALA 73 HA ALA 73 169.992 3.683 7.131 583 1HB ALA 73 HB1 ALA 73 170.175 1.579 5.546 584 2HB ALA 73 HB2 ALA 73 168.577 2.115 5.027 585 3HB ALA 73 HB3 ALA 73 168.869 1.724 6.722 586 H ILE 74 HN ILE 74 169.609 4.659 3.811 587 HA ILE 74 HA ILE 74 172.270 4.168 2.942 588 HB ILE 74 HB ILE 74 170.522 6.340 1.817 589 1HG1 ILE 74 HG12 ILE 74 169.280 4.101 2.167 590 2HG1 ILE 74 HG11 ILE 74 169.231 4.830 0.571 591 1HG2 ILE 74 HG21 ILE 74 172.697 6.282 0.875 592 2HG2 ILE 74 HG22 ILE 74 171.599 5.575 -0.309 593 3HG2 ILE 74 HG23 ILE 74 172.632 4.532 0.668 594 1HD1 ILE 74 HD11 ILE 74 170.953 3.301 -0.191 595 2HD1 ILE 74 HD12 ILE 74 169.562 2.431 0.455 596 3HD1 ILE 74 HD13 ILE 74 171.035 2.579 1.417 597 H ASN 75 HN ASN 75 170.612 7.205 3.807 598 HA ASN 75 HA ASN 75 172.827 8.879 3.703 599 1HB ASN 75 HB2 ASN 75 170.454 9.129 5.562 600 2HB ASN 75 HB1 ASN 75 171.540 10.428 5.081 601 1HD2 ASN 75 HD21 ASN 75 168.657 8.906 4.446 602 2HD2 ASN 75 HD22 ASN 75 168.360 9.538 2.865 603 H GLU 76 HN GLU 76 171.493 7.130 6.504 604 HA GLU 76 HA GLU 76 173.282 8.031 8.430 605 1HB GLU 76 HB2 GLU 76 171.211 6.593 8.765 606 2HB GLU 76 HB1 GLU 76 172.205 5.215 8.312 607 1HG GLU 76 HG2 GLU 76 173.312 5.192 10.274 608 2HG GLU 76 HG1 GLU 76 173.288 6.947 10.433 609 H LEU 77 HN LEU 77 173.603 5.458 6.054 610 HA LEU 77 HA LEU 77 175.953 4.277 7.005 611 1HB LEU 77 HB2 LEU 77 175.103 2.960 5.380 612 2HB LEU 77 HB1 LEU 77 174.429 4.309 4.492 613 HG LEU 77 HG LEU 77 177.381 3.944 4.391 614 1HD1 LEU 77 HD11 LEU 77 175.735 2.376 2.477 615 2HD1 LEU 77 HD12 LEU 77 176.060 1.691 4.069 616 3HD1 LEU 77 HD13 LEU 77 177.398 2.129 3.007 617 1HD2 LEU 77 HD21 LEU 77 175.788 4.392 1.968 618 2HD2 LEU 77 HD22 LEU 77 177.223 5.232 2.559 619 3HD2 LEU 77 HD23 LEU 77 175.634 5.648 3.198 620 H ILE 78 HN ILE 78 175.485 7.006 4.778 621 HA ILE 78 HA ILE 78 178.204 7.342 4.133 622 HB ILE 78 HB ILE 78 175.985 8.433 3.136 623 1HG1 ILE 78 HG12 ILE 78 178.780 9.577 3.091 624 2HG1 ILE 78 HG11 ILE 78 178.083 8.412 1.973 625 1HG2 ILE 78 HG21 ILE 78 175.763 9.860 5.234 626 2HG2 ILE 78 HG22 ILE 78 175.643 10.691 3.685 627 3HG2 ILE 78 HG23 ILE 78 177.136 10.778 4.619 628 1HD1 ILE 78 HD11 ILE 78 178.141 11.232 1.782 629 2HD1 ILE 78 HD12 ILE 78 176.457 10.730 1.933 630 3HD1 ILE 78 HD13 ILE 78 177.466 10.064 0.648 631 H ASN 79 HN ASN 79 176.250 8.718 6.747 632 HA ASN 79 HA ASN 79 178.101 10.606 7.648 633 1HB ASN 79 HB2 ASN 79 176.531 11.055 9.186 634 2HB ASN 79 HB1 ASN 79 175.564 9.818 8.396 635 1HD2 ASN 79 HD21 ASN 79 174.781 8.314 9.667 636 2HD2 ASN 79 HD22 ASN 79 175.421 7.833 11.197 637 H LYS 80 HN LYS 80 177.559 7.300 8.901 638 HA LYS 80 HA LYS 80 179.717 7.350 10.701 639 1HB LYS 80 HB2 LYS 80 177.765 5.697 10.591 640 2HB LYS 80 HB1 LYS 80 178.701 4.853 9.364 641 1HG LYS 80 HG2 LYS 80 180.543 4.605 10.987 642 2HG LYS 80 HG1 LYS 80 179.528 5.369 12.212 643 1HD LYS 80 HD2 LYS 80 179.524 2.898 12.349 644 2HD LYS 80 HD1 LYS 80 177.920 3.577 12.062 645 1HE LYS 80 HE2 LYS 80 179.562 2.800 9.708 646 2HE LYS 80 HE1 LYS 80 178.836 1.516 10.675 647 1HZ LYS 80 HZ1 LYS 80 177.091 3.723 9.932 648 2HZ LYS 80 HZ2 LYS 80 176.767 2.067 10.015 649 3HZ LYS 80 HZ3 LYS 80 177.578 2.702 8.674 650 H LEU 81 HN LEU 81 179.487 5.912 7.447 651 HA LEU 81 HA LEU 81 182.091 4.978 7.228 652 1HB LEU 81 HB2 LEU 81 179.967 4.929 5.607 653 2HB LEU 81 HB1 LEU 81 180.857 6.225 4.828 654 HG LEU 81 HG LEU 81 181.819 3.399 5.271 655 1HD1 LEU 81 HD11 LEU 81 180.640 3.102 3.384 656 2HD1 LEU 81 HD12 LEU 81 181.998 3.918 2.614 657 3HD1 LEU 81 HD13 LEU 81 180.553 4.830 3.045 658 1HD2 LEU 81 HD21 LEU 81 183.719 4.289 3.761 659 2HD2 LEU 81 HD22 LEU 81 183.766 4.632 5.489 660 3HD2 LEU 81 HD23 LEU 81 183.229 5.875 4.360 661 H GLU 82 HN GLU 82 180.855 8.219 7.050 662 HA GLU 82 HA GLU 82 183.040 9.441 5.734 663 1HB GLU 82 HB2 GLU 82 180.579 10.261 6.945 664 2HB GLU 82 HB1 GLU 82 181.868 11.291 7.547 665 1HG GLU 82 HG2 GLU 82 180.838 12.263 5.591 666 2HG GLU 82 HG1 GLU 82 182.511 11.828 5.256 667 H ARG 83 HN ARG 83 182.175 9.418 9.199 668 HA ARG 83 HA ARG 83 184.471 10.646 10.158 669 1HB ARG 83 HB2 ARG 83 182.455 10.211 11.516 670 2HB ARG 83 HB1 ARG 83 182.854 8.499 11.538 671 1HG ARG 83 HG2 ARG 83 185.163 9.700 12.443 672 2HG ARG 83 HG1 ARG 83 183.880 10.673 13.164 673 1HD ARG 83 HD2 ARG 83 184.174 7.677 13.358 674 2HD ARG 83 HD1 ARG 83 184.513 8.841 14.636 675 HE ARG 83 HE ARG 83 182.199 9.231 14.866 676 1HH1 ARG 83 HH11 ARG 83 182.902 6.750 12.503 677 2HH1 ARG 83 HH12 ARG 83 181.303 6.092 12.544 678 1HH2 ARG 83 HH21 ARG 83 180.101 8.363 14.908 679 2HH2 ARG 83 HH22 ARG 83 179.713 7.006 13.904 680 H GLN 84 HN GLN 84 183.926 7.268 9.338 681 HA GLN 84 HA GLN 84 186.222 6.178 10.513 682 1HB GLN 84 HB2 GLN 84 184.405 5.366 8.291 683 2HB GLN 84 HB1 GLN 84 185.935 4.517 8.463 684 1HG GLN 84 HG2 GLN 84 185.202 4.272 10.948 685 2HG GLN 84 HG1 GLN 84 183.594 4.594 10.304 686 1HE2 GLN 84 HE21 GLN 84 183.395 3.294 8.053 687 2HE2 GLN 84 HE22 GLN 84 183.683 1.600 8.238 688 H LEU 85 HN LEU 85 185.738 7.048 7.084 689 HA LEU 85 HA LEU 85 188.400 6.713 6.304 690 1HB LEU 85 HB2 LEU 85 185.969 7.691 5.152 691 2HB LEU 85 HB1 LEU 85 187.272 8.788 4.738 692 HG LEU 85 HG LEU 85 188.035 6.006 4.352 693 1HD1 LEU 85 HD11 LEU 85 186.568 5.360 2.662 694 2HD1 LEU 85 HD12 LEU 85 185.900 6.983 2.489 695 3HD1 LEU 85 HD13 LEU 85 185.505 6.014 3.909 696 1HD2 LEU 85 HD21 LEU 85 188.830 8.417 3.423 697 2HD2 LEU 85 HD22 LEU 85 187.836 7.858 2.076 698 3HD2 LEU 85 HD23 LEU 85 189.194 6.881 2.635 699 H ASN 86 HN ASN 86 186.816 9.344 7.933 700 HA ASN 86 HA ASN 86 188.600 11.424 7.370 701 1HB ASN 86 HB2 ASN 86 186.618 10.855 9.510 702 2HB ASN 86 HB1 ASN 86 187.811 12.106 9.837 703 1HD2 ASN 86 HD21 ASN 86 185.167 12.728 9.722 704 2HD2 ASN 86 HD22 ASN 86 184.844 13.671 8.311 705 H LYS 87 HN LYS 87 188.486 9.492 10.380 706 HA LYS 87 HA LYS 87 190.907 10.381 11.411 707 1HB LYS 87 HB2 LYS 87 190.731 8.683 13.006 708 2HB LYS 87 HB1 LYS 87 189.065 8.974 12.533 709 1HG LYS 87 HG2 LYS 87 189.138 6.686 12.542 710 2HG LYS 87 HG1 LYS 87 189.503 7.028 10.849 711 1HD LYS 87 HD2 LYS 87 191.595 6.225 11.017 712 2HD LYS 87 HD1 LYS 87 191.854 6.966 12.598 713 1HE LYS 87 HE2 LYS 87 190.535 5.171 13.636 714 2HE LYS 87 HE1 LYS 87 190.327 4.422 12.054 715 1HZ LYS 87 HZ1 LYS 87 192.098 3.304 13.088 716 2HZ LYS 87 HZ2 LYS 87 192.832 4.739 13.600 717 3HZ LYS 87 HZ3 LYS 87 192.827 4.333 11.959 718 H LEU 88 HN LEU 88 190.240 7.767 9.153 719 HA LEU 88 HA LEU 88 192.859 6.667 9.154 720 1HB LEU 88 HB2 LEU 88 190.680 6.558 7.064 721 2HB LEU 88 HB1 LEU 88 192.145 5.597 7.024 722 HG LEU 88 HG LEU 88 190.086 5.450 9.226 723 1HD1 LEU 88 HD11 LEU 88 189.240 4.710 6.997 724 2HD1 LEU 88 HD12 LEU 88 189.282 3.440 8.220 725 3HD1 LEU 88 HD13 LEU 88 190.525 3.503 6.971 726 1HD2 LEU 88 HD21 LEU 88 191.522 3.105 9.164 727 2HD2 LEU 88 HD22 LEU 88 191.760 4.433 10.299 728 3HD2 LEU 88 HD23 LEU 88 192.747 4.332 8.842 729 H GLN 89 HN GLN 89 191.216 9.070 7.155 730 HA GLN 89 HA GLN 89 193.601 9.535 5.559 731 1HB GLN 89 HB2 GLN 89 191.330 9.531 4.547 732 2HB GLN 89 HB1 GLN 89 190.936 10.954 5.504 733 1HG GLN 89 HG2 GLN 89 191.578 11.365 3.105 734 2HG GLN 89 HG1 GLN 89 192.453 12.303 4.314 735 1HE2 GLN 89 HE21 GLN 89 192.729 9.135 2.729 736 2HE2 GLN 89 HE22 GLN 89 194.419 9.260 2.395 737 H HIS 90 HN HIS 90 192.903 10.371 8.568 738 HA HIS 90 HA HIS 90 193.254 13.205 8.549 739 1HB HIS 90 HB2 HIS 90 192.210 11.568 10.343 740 2HB HIS 90 HB1 HIS 90 193.857 11.559 10.963 741 HD1 HIS 90 HD1 HIS 90 191.993 14.552 9.566 742 HD2 HIS 90 HD2 HIS 90 193.559 13.154 13.152 743 HE1 HIS 90 HE1 HIS 90 191.746 16.453 11.195 744 HE2 HIS 90 HE2 HIS 90 192.677 15.576 13.365 745 H LYS 91 HN LYS 91 195.408 10.789 7.856 746 HA LYS 91 HA LYS 91 197.664 10.713 7.633 747 1HB LYS 91 HB2 LYS 91 197.127 13.620 7.897 748 2HB LYS 91 HB1 LYS 91 198.789 13.099 8.142 749 1HG LYS 91 HG2 LYS 91 198.829 12.077 5.951 750 2HG LYS 91 HG1 LYS 91 197.129 12.488 5.705 751 1HD LYS 91 HD2 LYS 91 198.607 14.062 4.553 752 2HD LYS 91 HD1 LYS 91 197.678 14.862 5.820 753 1HE LYS 91 HE2 LYS 91 200.059 15.554 5.751 754 2HE LYS 91 HE1 LYS 91 199.573 14.854 7.294 755 1HZ LYS 91 HZ1 LYS 91 201.745 14.117 5.896 756 2HZ LYS 91 HZ2 LYS 91 200.627 12.948 5.400 757 3HZ LYS 91 HZ3 LYS 91 200.972 13.144 7.045 758 H GLY 92 HN GLY 92 197.072 9.517 9.799 759 1HA GLY 92 HA2 GLY 92 197.891 10.647 12.256 760 2HA GLY 92 HA1 GLY 92 197.732 8.931 11.919 761 H GLU 93 HN GLU 93 199.527 7.747 11.904 762 HA GLU 93 HA GLU 93 202.085 9.051 11.314 763 1HB GLU 93 HB2 GLU 93 201.263 7.815 13.870 764 2HB GLU 93 HB1 GLU 93 202.855 7.353 13.283 765 1HG GLU 93 HG2 GLU 93 202.102 10.236 13.374 766 2HG GLU 93 HG1 GLU 93 202.571 9.405 14.858 767 H ALA 94 HN ALA 94 203.286 7.910 9.949 768 HA ALA 94 HA ALA 94 202.424 5.620 8.664 769 1HB ALA 94 HB1 ALA 94 204.437 5.624 7.524 770 2HB ALA 94 HB2 ALA 94 205.349 6.181 8.927 771 3HB ALA 94 HB3 ALA 94 204.303 7.300 8.056 772 H ARG 95 HN ARG 95 204.148 3.640 8.554 773 HA ARG 95 HA ARG 95 204.308 2.604 11.309 774 1HB ARG 95 HB2 ARG 95 203.017 1.537 8.960 775 2HB ARG 95 HB1 ARG 95 204.242 0.418 9.539 776 1HG ARG 95 HG2 ARG 95 202.395 1.586 11.542 777 2HG ARG 95 HG1 ARG 95 201.751 0.375 10.429 778 1HD ARG 95 HD2 ARG 95 204.013 -0.858 11.144 779 2HD ARG 95 HD1 ARG 95 203.745 0.099 12.599 780 HE ARG 95 HE ARG 95 202.056 -1.325 13.148 781 1HH1 ARG 95 HH11 ARG 95 202.611 -1.566 9.710 782 2HH1 ARG 95 HH12 ARG 95 201.484 -2.863 9.494 783 1HH2 ARG 95 HH21 ARG 95 200.575 -3.030 12.863 784 2HH2 ARG 95 HH22 ARG 95 200.329 -3.695 11.282 785 H ARG 96 HN ARG 96 206.393 4.046 9.903 786 HA ARG 96 HA ARG 96 208.333 1.996 9.186 787 1HB ARG 96 HB2 ARG 96 209.675 3.712 8.320 788 2HB ARG 96 HB1 ARG 96 208.036 4.227 7.951 789 1HG ARG 96 HG2 ARG 96 208.067 5.775 9.811 790 2HG ARG 96 HG1 ARG 96 209.670 5.207 10.285 791 1HD ARG 96 HD2 ARG 96 210.106 7.166 9.104 792 2HD ARG 96 HD1 ARG 96 210.391 5.893 7.918 793 HE ARG 96 HE ARG 96 208.243 7.843 7.915 794 1HH1 ARG 96 HH11 ARG 96 209.524 4.889 6.556 795 2HH1 ARG 96 HH12 ARG 96 208.556 4.987 5.124 796 1HH2 ARG 96 HH21 ARG 96 206.975 7.964 6.034 797 2HH2 ARG 96 HH22 ARG 96 207.114 6.730 4.826 798 H ALA 97 HN ALA 97 210.310 1.691 10.259 799 HA ALA 97 HA ALA 97 210.501 2.874 12.947 800 1HB ALA 97 HB1 ALA 97 211.549 0.437 13.400 801 2HB ALA 97 HB2 ALA 97 210.326 0.030 12.198 802 3HB ALA 97 HB3 ALA 97 209.859 0.843 13.691 803 H ALA 98 HN ALA 98 212.437 0.522 11.109 804 HA ALA 98 HA ALA 98 214.694 2.415 11.224 805 1HB ALA 98 HB1 ALA 98 214.906 0.556 12.873 806 2HB ALA 98 HB2 ALA 98 216.215 0.626 11.691 807 3HB ALA 98 HB3 ALA 98 214.934 -0.574 11.519 808 H THR 99 HN THR 99 216.259 2.217 9.530 809 HA THR 99 HA THR 99 215.047 1.369 7.023 810 HB THR 99 HB THR 99 217.747 2.653 7.214 811 HG1 THR 99 HG1 THR 99 216.809 4.169 8.344 812 1HG2 THR 99 HG21 THR 99 215.558 2.532 5.213 813 2HG2 THR 99 HG22 THR 99 217.301 2.378 4.999 814 3HG2 THR 99 HG23 THR 99 216.584 3.966 5.266 815 H SER 100 HN SER 100 215.521 -0.853 8.356 816 HA SER 100 HA SER 100 218.160 -1.899 7.816 817 1HB SER 100 HB2 SER 100 216.308 -3.973 8.501 818 2HB SER 100 HB1 SER 100 217.621 -3.308 9.470 819 HG SER 100 HG SER 100 216.223 -2.197 10.585 820 H VAL 101 HN VAL 101 218.710 -2.498 5.833 821 HA VAL 101 HA VAL 101 216.680 -3.338 3.927 822 HB VAL 101 HB VAL 101 219.655 -2.991 3.527 823 1HG1 VAL 101 HG11 VAL 101 218.801 -2.744 1.091 824 2HG1 VAL 101 HG12 VAL 101 217.389 -3.622 1.681 825 3HG1 VAL 101 HG13 VAL 101 218.990 -4.357 1.781 826 1HG2 VAL 101 HG21 VAL 101 217.507 -1.068 3.738 827 2HG2 VAL 101 HG22 VAL 101 218.287 -0.989 2.158 828 3HG2 VAL 101 HG23 VAL 101 219.247 -0.805 3.626 829 H LYS 102 HN LYS 102 219.675 -4.634 5.346 830 HA LYS 102 HA LYS 102 219.152 -7.249 4.194 831 1HB LYS 102 HB2 LYS 102 221.301 -7.888 5.135 832 2HB LYS 102 HB1 LYS 102 221.448 -6.373 4.253 833 1HG LYS 102 HG2 LYS 102 220.896 -5.568 6.835 834 2HG LYS 102 HG1 LYS 102 221.959 -6.959 7.046 835 1HD LYS 102 HD2 LYS 102 223.133 -5.538 4.980 836 2HD LYS 102 HD1 LYS 102 222.561 -4.284 6.080 837 1HE LYS 102 HE2 LYS 102 224.143 -6.660 7.022 838 2HE LYS 102 HE1 LYS 102 224.912 -5.172 6.470 839 1HZ LYS 102 HZ1 LYS 102 224.524 -5.376 8.931 840 2HZ LYS 102 HZ2 LYS 102 222.872 -5.207 8.616 841 3HZ LYS 102 HZ3 LYS 102 223.940 -3.958 8.215 842 H ASP 103 HN ASP 103 218.123 -5.628 6.914 843 HA ASP 103 HA ASP 103 218.155 -7.933 8.683 844 1HB ASP 103 HB2 ASP 103 218.202 -5.200 9.121 845 2HB ASP 103 HB1 ASP 103 216.556 -5.652 9.560 846 H ALA 104 HN ALA 104 216.401 -7.361 6.089 847 HA ALA 104 HA ALA 104 213.750 -7.778 7.200 848 1HB ALA 104 HB1 ALA 104 214.497 -6.406 5.051 849 2HB ALA 104 HB2 ALA 104 212.922 -7.190 5.163 850 3HB ALA 104 HB3 ALA 104 214.233 -7.968 4.279 851 H ASN 105 HN ASN 105 212.799 -9.698 7.441 852 HA ASN 105 HA ASN 105 214.235 -12.105 6.935 853 1HB ASN 105 HB2 ASN 105 212.678 -11.837 8.840 854 2HB ASN 105 HB1 ASN 105 211.332 -11.744 7.710 855 1HD2 ASN 105 HD21 ASN 105 210.426 -13.555 8.784 856 2HD2 ASN 105 HD22 ASN 105 210.995 -15.151 8.453 857 H PHE 106 HN PHE 106 214.443 -11.456 4.557 858 HA PHE 106 HA PHE 106 212.111 -12.082 2.939 859 1HB PHE 106 HB2 PHE 106 214.860 -11.026 2.374 860 2HB PHE 106 HB1 PHE 106 213.901 -11.704 1.064 861 HD1 PHE 106 HD1 PHE 106 212.490 -9.835 3.912 862 HD2 PHE 106 HD2 PHE 106 213.635 -9.705 -0.186 863 HE1 PHE 106 HE1 PHE 106 211.324 -7.685 3.658 864 HE2 PHE 106 HE2 PHE 106 212.469 -7.555 -0.447 865 HZ PHE 106 HZ PHE 106 211.312 -6.542 1.477 866 H VAL 107 HN VAL 107 211.643 -14.085 2.354 867 HA VAL 107 HA VAL 107 213.573 -16.210 2.673 868 HB VAL 107 HB VAL 107 210.764 -16.387 1.579 869 1HG1 VAL 107 HG11 VAL 107 211.919 -18.661 3.017 870 2HG1 VAL 107 HG12 VAL 107 212.733 -18.270 1.502 871 3HG1 VAL 107 HG13 VAL 107 211.005 -18.615 1.510 872 1HG2 VAL 107 HG21 VAL 107 211.383 -15.524 4.075 873 2HG2 VAL 107 HG22 VAL 107 211.287 -17.267 4.332 874 3HG2 VAL 107 HG23 VAL 107 209.908 -16.398 3.659 875 H GLU 108 HN GLU 108 215.071 -15.428 1.030 876 HA GLU 108 HA GLU 108 214.298 -15.379 -1.717 877 1HB GLU 108 HB2 GLU 108 217.062 -15.564 -0.502 878 2HB GLU 108 HB1 GLU 108 216.696 -15.145 -2.169 879 1HG GLU 108 HG2 GLU 108 216.224 -13.024 -1.661 880 2HG GLU 108 HG1 GLU 108 215.333 -13.468 -0.207 881 H GLU 109 HN GLU 109 217.121 -17.097 -1.803 882 HA GLU 109 HA GLU 109 215.727 -19.480 -2.662 883 1HB GLU 109 HB2 GLU 109 217.768 -20.179 -3.632 884 2HB GLU 109 HB1 GLU 109 217.674 -18.447 -3.908 885 1HG GLU 109 HG2 GLU 109 219.200 -19.619 -1.603 886 2HG GLU 109 HG1 GLU 109 219.914 -19.399 -3.199 887 H VAL 110 HN VAL 110 216.574 -18.442 0.288 888 HA VAL 110 HA VAL 110 217.802 -20.857 1.306 889 HB VAL 110 HB VAL 110 216.623 -18.786 3.113 890 1HG1 VAL 110 HG11 VAL 110 217.645 -20.309 4.440 891 2HG1 VAL 110 HG12 VAL 110 219.060 -19.322 4.076 892 3HG1 VAL 110 HG13 VAL 110 218.773 -20.813 3.182 893 1HG2 VAL 110 HG21 VAL 110 218.826 -17.531 2.878 894 2HG2 VAL 110 HG22 VAL 110 217.653 -17.329 1.577 895 3HG2 VAL 110 HG23 VAL 110 219.035 -18.402 1.359 896 H GLU 111 HN GLU 111 216.787 -21.865 3.320 897 HA GLU 111 HA GLU 111 214.076 -22.642 2.632 898 1HB GLU 111 HB2 GLU 111 214.378 -24.376 4.357 899 2HB GLU 111 HB1 GLU 111 215.670 -24.397 3.165 900 1HG GLU 111 HG2 GLU 111 217.212 -23.449 4.662 901 2HG GLU 111 HG1 GLU 111 215.943 -22.967 5.787 902 H GLU 112 HN GLU 112 213.889 -20.101 3.366 903 HA GLU 112 HA GLU 112 212.851 -18.644 4.771 904 1HB GLU 112 HB2 GLU 112 211.757 -21.009 6.273 905 2HB GLU 112 HB1 GLU 112 211.009 -19.440 6.006 906 1HG GLU 112 HG2 GLU 112 209.929 -20.267 4.270 907 2HG GLU 112 HG1 GLU 112 211.470 -20.569 3.467 908 H GLU 113 HN GLU 113 215.460 -19.083 5.417 909 HA GLU 113 HA GLU 113 215.563 -19.484 8.313 910 1HB GLU 113 HB2 GLU 113 217.702 -19.283 6.198 911 2HB GLU 113 HB1 GLU 113 218.070 -19.287 7.917 912 1HG GLU 113 HG2 GLU 113 216.391 -21.471 7.549 913 2HG GLU 113 HG1 GLU 113 217.467 -21.485 6.152 Start of MODEL 12 1 1H MET 1 HT1 MET 1 186.063 -0.426 -6.116 2 2H MET 1 HT2 MET 1 186.370 -2.089 -5.822 3 3H MET 1 HT3 MET 1 184.796 -1.571 -6.270 4 HA MET 1 HA MET 1 185.777 -0.756 -8.368 5 1HB MET 1 HB2 MET 1 188.103 -0.809 -7.370 6 2HB MET 1 HB1 MET 1 188.050 -2.559 -7.531 7 1HG MET 1 HG2 MET 1 189.256 -1.542 -9.373 8 2HG MET 1 HG1 MET 1 187.793 -2.348 -9.938 9 1HE MET 1 HE1 MET 1 187.427 -1.387 -12.075 10 2HE MET 1 HE2 MET 1 188.902 -0.424 -12.139 11 3HE MET 1 HE3 MET 1 187.347 0.320 -12.509 12 H THR 2 HN THR 2 185.377 -3.640 -6.519 13 HA THR 2 HA THR 2 184.912 -5.253 -8.913 14 HB THR 2 HB THR 2 184.668 -7.129 -7.238 15 HG1 THR 2 HG1 THR 2 184.225 -6.154 -5.351 16 1HG2 THR 2 HG21 THR 2 186.760 -7.269 -8.084 17 2HG2 THR 2 HG22 THR 2 187.171 -6.845 -6.422 18 3HG2 THR 2 HG23 THR 2 187.161 -5.602 -7.673 19 H MET 3 HN MET 3 183.203 -3.589 -6.418 20 HA MET 3 HA MET 3 180.988 -3.285 -6.001 21 1HB MET 3 HB2 MET 3 180.746 -2.719 -8.314 22 2HB MET 3 HB1 MET 3 180.799 -4.406 -8.796 23 1HG MET 3 HG2 MET 3 178.539 -3.331 -8.857 24 2HG MET 3 HG1 MET 3 178.645 -4.826 -7.931 25 1HE MET 3 HE1 MET 3 178.343 -0.573 -6.322 26 2HE MET 3 HE2 MET 3 177.167 -1.086 -7.534 27 3HE MET 3 HE3 MET 3 178.890 -1.111 -7.910 28 H ASN 4 HN ASN 4 181.138 -4.846 -4.299 29 HA ASN 4 HA ASN 4 180.039 -7.494 -4.931 30 1HB ASN 4 HB2 ASN 4 181.957 -6.487 -2.964 31 2HB ASN 4 HB1 ASN 4 180.744 -7.552 -2.262 32 1HD2 ASN 4 HD21 ASN 4 182.193 -7.603 -5.481 33 2HD2 ASN 4 HD22 ASN 4 182.888 -9.177 -5.336 34 H ILE 5 HN ILE 5 178.035 -8.033 -4.345 35 HA ILE 5 HA ILE 5 176.689 -6.480 -2.248 36 HB ILE 5 HB ILE 5 175.118 -7.270 -4.666 37 1HG1 ILE 5 HG12 ILE 5 176.631 -4.659 -4.423 38 2HG1 ILE 5 HG11 ILE 5 177.091 -5.983 -5.490 39 1HG2 ILE 5 HG21 ILE 5 173.923 -6.526 -2.699 40 2HG2 ILE 5 HG22 ILE 5 173.766 -5.329 -3.984 41 3HG2 ILE 5 HG23 ILE 5 174.880 -5.044 -2.647 42 1HD1 ILE 5 HD11 ILE 5 174.515 -5.597 -6.225 43 2HD1 ILE 5 HD12 ILE 5 175.907 -4.852 -7.010 44 3HD1 ILE 5 HD13 ILE 5 175.001 -3.959 -5.789 45 H THR 6 HN THR 6 175.527 -7.697 -0.862 46 HA THR 6 HA THR 6 174.524 -10.297 -1.662 47 HB THR 6 HB THR 6 175.980 -10.550 0.856 48 HG1 THR 6 HG1 THR 6 177.842 -9.865 0.232 49 1HG2 THR 6 HG21 THR 6 175.021 -12.414 -0.527 50 2HG2 THR 6 HG22 THR 6 176.697 -12.618 -0.016 51 3HG2 THR 6 HG23 THR 6 176.332 -12.130 -1.671 52 H SER 7 HN SER 7 172.496 -9.361 -1.245 53 HA SER 7 HA SER 7 171.928 -8.465 1.466 54 1HB SER 7 HB2 SER 7 170.365 -8.445 -1.111 55 2HB SER 7 HB1 SER 7 169.586 -8.109 0.436 56 HG SER 7 HG SER 7 171.617 -6.658 -0.880 57 H LYS 8 HN LYS 8 170.387 -9.435 2.821 58 HA LYS 8 HA LYS 8 170.276 -12.295 2.596 59 1HB LYS 8 HB2 LYS 8 169.236 -10.349 4.646 60 2HB LYS 8 HB1 LYS 8 168.952 -12.080 4.762 61 1HG LYS 8 HG2 LYS 8 171.467 -12.357 4.638 62 2HG LYS 8 HG1 LYS 8 171.567 -10.612 4.887 63 1HD LYS 8 HD2 LYS 8 170.199 -12.572 6.731 64 2HD LYS 8 HD1 LYS 8 171.794 -11.862 6.994 65 1HE LYS 8 HE2 LYS 8 170.640 -9.601 6.850 66 2HE LYS 8 HE1 LYS 8 169.120 -10.485 6.968 67 1HZ LYS 8 HZ1 LYS 8 171.232 -10.934 8.968 68 2HZ LYS 8 HZ2 LYS 8 169.559 -11.125 9.121 69 3HZ LYS 8 HZ3 LYS 8 170.234 -9.574 9.095 70 H GLN 9 HN GLN 9 167.494 -10.422 3.689 71 HA GLN 9 HA GLN 9 165.871 -11.809 1.659 72 1HB GLN 9 HB2 GLN 9 164.515 -10.717 4.051 73 2HB GLN 9 HB1 GLN 9 164.228 -12.216 3.181 74 1HG GLN 9 HG2 GLN 9 165.150 -13.240 4.917 75 2HG GLN 9 HG1 GLN 9 166.695 -12.618 4.342 76 1HE2 GLN 9 HE21 GLN 9 166.129 -9.865 4.931 77 2HE2 GLN 9 HE22 GLN 9 166.185 -9.693 6.646 78 H MET 10 HN MET 10 166.893 -9.677 0.610 79 HA MET 10 HA MET 10 164.724 -8.033 -0.038 80 1HB MET 10 HB2 MET 10 164.937 -7.033 2.133 81 2HB MET 10 HB1 MET 10 166.675 -6.851 1.943 82 1HG MET 10 HG2 MET 10 165.380 -4.746 1.693 83 2HG MET 10 HG1 MET 10 166.396 -5.142 0.312 84 1HE MET 10 HE1 MET 10 163.269 -4.463 1.850 85 2HE MET 10 HE2 MET 10 161.955 -4.829 0.733 86 3HE MET 10 HE3 MET 10 162.920 -3.370 0.510 87 H GLU 11 HN GLU 11 165.412 -8.368 -2.120 88 HA GLU 11 HA GLU 11 168.016 -8.131 -3.083 89 1HB GLU 11 HB2 GLU 11 165.492 -8.663 -4.163 90 2HB GLU 11 HB1 GLU 11 166.066 -7.250 -5.039 91 1HG GLU 11 HG2 GLU 11 167.635 -8.408 -6.135 92 2HG GLU 11 HG1 GLU 11 168.058 -9.371 -4.720 93 H ILE 12 HN ILE 12 168.081 -6.345 -5.137 94 HA ILE 12 HA ILE 12 168.235 -3.802 -3.687 95 HB ILE 12 HB ILE 12 169.442 -4.156 -6.394 96 1HG1 ILE 12 HG12 ILE 12 170.240 -6.156 -5.362 97 2HG1 ILE 12 HG11 ILE 12 171.543 -4.982 -5.230 98 1HG2 ILE 12 HG21 ILE 12 170.423 -2.724 -3.933 99 2HG2 ILE 12 HG22 ILE 12 169.431 -1.985 -5.190 100 3HG2 ILE 12 HG23 ILE 12 171.047 -2.576 -5.575 101 1HD1 ILE 12 HD11 ILE 12 170.121 -6.397 -3.165 102 2HD1 ILE 12 HD12 ILE 12 170.082 -4.654 -2.898 103 3HD1 ILE 12 HD13 ILE 12 171.627 -5.483 -3.077 104 H THR 13 HN THR 13 166.238 -2.903 -3.874 105 HA THR 13 HA THR 13 164.730 -2.924 -6.300 106 HB THR 13 HB THR 13 163.223 -1.375 -5.101 107 HG1 THR 13 HG1 THR 13 165.131 -1.516 -3.011 108 1HG2 THR 13 HG21 THR 13 163.669 -3.119 -2.858 109 2HG2 THR 13 HG22 THR 13 163.747 -4.003 -4.382 110 3HG2 THR 13 HG23 THR 13 162.315 -3.052 -3.985 111 HA PRO 14 HA PRO 14 166.181 0.505 -8.639 112 1HB PRO 14 HB2 PRO 14 163.821 2.028 -8.798 113 2HB PRO 14 HB1 PRO 14 164.345 0.785 -9.938 114 1HG PRO 14 HG2 PRO 14 162.418 0.593 -7.675 115 2HG PRO 14 HG1 PRO 14 162.389 -0.220 -9.249 116 1HD PRO 14 HD2 PRO 14 163.094 -1.534 -7.032 117 2HD PRO 14 HD1 PRO 14 163.919 -1.840 -8.576 118 H ALA 15 HN ALA 15 164.106 1.317 -5.883 119 HA ALA 15 HA ALA 15 165.012 3.988 -5.603 120 1HB ALA 15 HB1 ALA 15 164.141 3.497 -3.148 121 2HB ALA 15 HB2 ALA 15 163.435 2.093 -3.948 122 3HB ALA 15 HB3 ALA 15 163.035 3.719 -4.503 123 H ILE 16 HN ILE 16 165.868 0.988 -3.883 124 HA ILE 16 HA ILE 16 167.849 2.181 -2.249 125 HB ILE 16 HB ILE 16 167.614 -0.715 -3.079 126 1HG1 ILE 16 HG12 ILE 16 166.510 0.702 -0.646 127 2HG1 ILE 16 HG11 ILE 16 165.556 0.176 -2.029 128 1HG2 ILE 16 HG21 ILE 16 168.970 -1.249 -1.211 129 2HG2 ILE 16 HG22 ILE 16 168.906 0.405 -0.603 130 3HG2 ILE 16 HG23 ILE 16 169.803 0.041 -2.078 131 1HD1 ILE 16 HD11 ILE 16 166.714 -2.146 -1.385 132 2HD1 ILE 16 HD12 ILE 16 165.185 -1.600 -0.697 133 3HD1 ILE 16 HD13 ILE 16 166.685 -1.379 0.202 134 H ARG 17 HN ARG 17 168.050 0.304 -5.262 135 HA ARG 17 HA ARG 17 170.822 0.286 -5.520 136 1HB ARG 17 HB2 ARG 17 170.317 -0.911 -7.334 137 2HB ARG 17 HB1 ARG 17 168.623 -0.572 -7.028 138 1HG ARG 17 HG2 ARG 17 168.881 0.052 -9.232 139 2HG ARG 17 HG1 ARG 17 169.050 1.590 -8.386 140 1HD ARG 17 HD2 ARG 17 171.610 0.834 -8.388 141 2HD ARG 17 HD1 ARG 17 171.072 -0.027 -9.829 142 HE ARG 17 HE ARG 17 170.315 2.754 -9.744 143 1HH1 ARG 17 HH11 ARG 17 172.755 0.454 -10.718 144 2HH1 ARG 17 HH12 ARG 17 173.430 1.495 -11.925 145 1HH2 ARG 17 HH21 ARG 17 171.206 4.124 -11.330 146 2HH2 ARG 17 HH22 ARG 17 172.552 3.577 -12.271 147 H GLN 18 HN GLN 18 168.505 2.803 -6.173 148 HA GLN 18 HA GLN 18 170.219 4.437 -7.758 149 1HB GLN 18 HB2 GLN 18 167.791 4.674 -7.853 150 2HB GLN 18 HB1 GLN 18 167.753 5.145 -6.159 151 1HG GLN 18 HG2 GLN 18 167.833 7.240 -6.877 152 2HG GLN 18 HG1 GLN 18 169.523 6.935 -7.273 153 1HE2 GLN 18 HE21 GLN 18 169.713 8.164 -9.061 154 2HE2 GLN 18 HE22 GLN 18 168.818 7.915 -10.517 155 H HIS 19 HN HIS 19 169.202 4.590 -4.346 156 HA HIS 19 HA HIS 19 170.695 6.818 -3.603 157 1HB HIS 19 HB2 HIS 19 169.335 4.615 -2.229 158 2HB HIS 19 HB1 HIS 19 170.705 5.260 -1.331 159 HD1 HIS 19 HD1 HIS 19 168.113 7.118 -3.408 160 HD2 HIS 19 HD2 HIS 19 169.559 6.910 0.482 161 HE1 HIS 19 HE1 HIS 19 166.921 8.942 -2.147 162 HE2 HIS 19 HE2 HIS 19 167.752 8.741 0.223 163 H VAL 20 HN VAL 20 171.574 3.380 -3.225 164 HA VAL 20 HA VAL 20 174.156 3.799 -2.238 165 HB VAL 20 HB VAL 20 173.341 1.472 -3.977 166 1HG1 VAL 20 HG11 VAL 20 175.737 1.683 -3.391 167 2HG1 VAL 20 HG12 VAL 20 174.984 0.235 -2.719 168 3HG1 VAL 20 HG13 VAL 20 175.293 1.629 -1.684 169 1HG2 VAL 20 HG21 VAL 20 171.698 1.147 -2.482 170 2HG2 VAL 20 HG22 VAL 20 172.403 2.268 -1.316 171 3HG2 VAL 20 HG23 VAL 20 172.995 0.609 -1.415 172 H ALA 21 HN ALA 21 172.927 3.741 -5.521 173 HA ALA 21 HA ALA 21 175.385 3.551 -6.879 174 1HB ALA 21 HB1 ALA 21 172.623 4.333 -7.574 175 2HB ALA 21 HB2 ALA 21 173.717 3.196 -8.363 176 3HB ALA 21 HB3 ALA 21 173.898 4.929 -8.639 177 H ASP 22 HN ASP 22 173.449 6.387 -5.951 178 HA ASP 22 HA ASP 22 175.195 8.322 -7.004 179 1HB ASP 22 HB2 ASP 22 172.773 8.285 -5.474 180 2HB ASP 22 HB1 ASP 22 173.897 9.416 -4.726 181 H ARG 23 HN ARG 23 175.105 6.663 -3.911 182 HA ARG 23 HA ARG 23 177.037 8.318 -2.640 183 1HB ARG 23 HB2 ARG 23 176.509 7.123 -0.817 184 2HB ARG 23 HB1 ARG 23 175.294 6.348 -1.817 185 1HG ARG 23 HG2 ARG 23 176.383 4.564 -0.839 186 2HG ARG 23 HG1 ARG 23 177.172 4.681 -2.412 187 1HD ARG 23 HD2 ARG 23 179.145 5.358 -1.523 188 2HD ARG 23 HD1 ARG 23 178.370 6.256 -0.217 189 HE ARG 23 HE ARG 23 178.684 4.436 1.107 190 1HH1 ARG 23 HH11 ARG 23 178.643 3.356 -2.212 191 2HH1 ARG 23 HH12 ARG 23 178.949 1.701 -1.808 192 1HH2 ARG 23 HH21 ARG 23 179.089 2.259 1.640 193 2HH2 ARG 23 HH22 ARG 23 179.204 1.077 0.378 194 H LEU 24 HN LEU 24 177.198 5.347 -4.517 195 HA LEU 24 HA LEU 24 179.943 4.808 -4.018 196 1HB LEU 24 HB2 LEU 24 178.048 3.289 -4.988 197 2HB LEU 24 HB1 LEU 24 178.553 3.958 -6.528 198 HG LEU 24 HG LEU 24 180.902 3.164 -5.946 199 1HD1 LEU 24 HD11 LEU 24 180.838 2.751 -3.653 200 2HD1 LEU 24 HD12 LEU 24 180.811 1.142 -4.374 201 3HD1 LEU 24 HD13 LEU 24 179.321 1.861 -3.759 202 1HD2 LEU 24 HD21 LEU 24 178.562 1.503 -6.683 203 2HD2 LEU 24 HD22 LEU 24 180.073 0.664 -6.327 204 3HD2 LEU 24 HD23 LEU 24 180.017 1.884 -7.601 205 H ALA 25 HN ALA 25 178.218 6.765 -6.344 206 HA ALA 25 HA ALA 25 180.380 7.180 -8.137 207 1HB ALA 25 HB1 ALA 25 177.729 8.460 -7.680 208 2HB ALA 25 HB2 ALA 25 178.375 7.684 -9.126 209 3HB ALA 25 HB3 ALA 25 178.921 9.298 -8.676 210 H LYS 26 HN LYS 26 179.149 8.963 -5.340 211 HA LYS 26 HA LYS 26 180.864 11.188 -5.565 212 1HB LYS 26 HB2 LYS 26 178.826 10.329 -3.823 213 2HB LYS 26 HB1 LYS 26 180.242 10.584 -2.813 214 1HG LYS 26 HG2 LYS 26 179.093 12.609 -4.722 215 2HG LYS 26 HG1 LYS 26 178.819 12.576 -2.979 216 1HD LYS 26 HD2 LYS 26 181.528 12.484 -3.077 217 2HD LYS 26 HD1 LYS 26 181.174 13.451 -4.509 218 1HE LYS 26 HE2 LYS 26 179.982 14.038 -1.811 219 2HE LYS 26 HE1 LYS 26 181.518 14.720 -2.342 220 1HZ LYS 26 HZ1 LYS 26 179.171 15.895 -2.750 221 2HZ LYS 26 HZ2 LYS 26 179.297 15.014 -4.189 222 3HZ LYS 26 HZ3 LYS 26 180.508 16.118 -3.764 223 H LEU 27 HN LEU 27 181.202 8.067 -3.973 224 HA LEU 27 HA LEU 27 183.496 8.540 -2.472 225 1HB LEU 27 HB2 LEU 27 182.464 6.057 -3.824 226 2HB LEU 27 HB1 LEU 27 183.917 6.044 -2.844 227 HG LEU 27 HG LEU 27 181.124 6.708 -1.915 228 1HD1 LEU 27 HD11 LEU 27 181.550 4.328 -2.249 229 2HD1 LEU 27 HD12 LEU 27 181.384 4.715 -0.536 230 3HD1 LEU 27 HD13 LEU 27 182.983 4.438 -1.225 231 1HD2 LEU 27 HD21 LEU 27 182.603 8.147 -0.726 232 2HD2 LEU 27 HD22 LEU 27 183.763 6.844 -0.473 233 3HD2 LEU 27 HD23 LEU 27 182.201 6.805 0.346 234 H GLU 28 HN GLU 28 183.116 8.259 -5.890 235 HA GLU 28 HA GLU 28 185.533 7.330 -6.787 236 1HB GLU 28 HB2 GLU 28 183.806 9.554 -7.865 237 2HB GLU 28 HB1 GLU 28 185.207 8.934 -8.726 238 1HG GLU 28 HG2 GLU 28 182.741 7.391 -7.960 239 2HG GLU 28 HG1 GLU 28 183.204 7.915 -9.579 240 H LYS 29 HN LYS 29 184.783 10.576 -5.600 241 HA LYS 29 HA LYS 29 187.649 11.231 -5.747 242 1HB LYS 29 HB2 LYS 29 185.511 12.657 -6.726 243 2HB LYS 29 HB1 LYS 29 185.803 13.441 -5.179 244 1HG LYS 29 HG2 LYS 29 187.885 13.004 -7.310 245 2HG LYS 29 HG1 LYS 29 186.997 14.507 -7.048 246 1HD LYS 29 HD2 LYS 29 188.082 13.701 -4.553 247 2HD LYS 29 HD1 LYS 29 189.365 13.575 -5.757 248 1HE LYS 29 HE2 LYS 29 189.605 15.783 -5.806 249 2HE LYS 29 HE1 LYS 29 187.892 16.005 -6.154 250 1HZ LYS 29 HZ1 LYS 29 187.382 16.266 -3.945 251 2HZ LYS 29 HZ2 LYS 29 188.908 16.994 -4.006 252 3HZ LYS 29 HZ3 LYS 29 188.746 15.423 -3.401 253 H TRP 30 HN TRP 30 187.161 9.638 -3.706 254 HA TRP 30 HA TRP 30 186.993 11.422 -1.367 255 1HB TRP 30 HB2 TRP 30 185.532 9.021 -1.968 256 2HB TRP 30 HB1 TRP 30 186.513 8.760 -0.530 257 HD1 TRP 30 HD1 TRP 30 183.333 10.338 -1.663 258 HE1 TRP 30 HE1 TRP 30 182.224 11.590 0.292 259 HE3 TRP 30 HE3 TRP 30 187.218 10.258 1.659 260 HZ2 TRP 30 HZ2 TRP 30 182.905 12.433 2.897 261 HZ3 TRP 30 HZ3 TRP 30 186.907 11.311 3.861 262 HH2 TRP 30 HH2 TRP 30 184.796 12.375 4.466 263 H GLN 31 HN GLN 31 189.393 11.118 -2.667 264 HA GLN 31 HA GLN 31 191.562 10.427 -2.460 265 1HB GLN 31 HB2 GLN 31 190.924 10.264 0.479 266 2HB GLN 31 HB1 GLN 31 192.464 10.662 -0.270 267 1HG GLN 31 HG2 GLN 31 190.315 12.460 -1.058 268 2HG GLN 31 HG1 GLN 31 190.617 12.451 0.678 269 1HE2 GLN 31 HE21 GLN 31 191.215 14.283 -1.747 270 2HE2 GLN 31 HE22 GLN 31 192.855 14.754 -1.475 271 H THR 32 HN THR 32 189.392 8.238 -2.498 272 HA THR 32 HA THR 32 191.230 6.059 -1.862 273 HB THR 32 HB THR 32 188.368 5.661 -1.130 274 HG1 THR 32 HG1 THR 32 188.883 6.447 0.988 275 1HG2 THR 32 HG21 THR 32 189.098 3.946 0.127 276 2HG2 THR 32 HG22 THR 32 190.579 4.778 0.603 277 3HG2 THR 32 HG23 THR 32 190.468 4.015 -0.983 278 H HIS 33 HN HIS 33 190.710 4.066 -2.958 279 HA HIS 33 HA HIS 33 189.129 4.536 -5.397 280 1HB HIS 33 HB2 HIS 33 190.613 2.369 -6.042 281 2HB HIS 33 HB1 HIS 33 191.127 4.026 -6.341 282 HD1 HIS 33 HD1 HIS 33 193.450 4.423 -5.628 283 HD2 HIS 33 HD2 HIS 33 191.590 1.563 -3.256 284 HE1 HIS 33 HE1 HIS 33 195.193 3.687 -3.972 285 HE2 HIS 33 HE2 HIS 33 194.023 2.008 -2.502 286 H LEU 34 HN LEU 34 189.750 2.279 -2.778 287 HA LEU 34 HA LEU 34 188.553 0.530 -1.950 288 1HB LEU 34 HB2 LEU 34 186.353 1.699 -3.659 289 2HB LEU 34 HB1 LEU 34 186.127 0.440 -2.460 290 HG LEU 34 HG LEU 34 185.419 2.545 -1.537 291 1HD1 LEU 34 HD11 LEU 34 187.994 2.314 -0.130 292 2HD1 LEU 34 HD12 LEU 34 187.074 0.820 -0.297 293 3HD1 LEU 34 HD13 LEU 34 186.344 2.220 0.488 294 1HD2 LEU 34 HD21 LEU 34 186.698 4.494 -1.466 295 2HD2 LEU 34 HD22 LEU 34 186.972 3.867 -3.091 296 3HD2 LEU 34 HD23 LEU 34 188.194 3.639 -1.840 297 H ILE 35 HN ILE 35 188.596 -1.583 -2.438 298 HA ILE 35 HA ILE 35 188.562 -2.300 -5.296 299 HB ILE 35 HB ILE 35 189.772 -4.435 -4.301 300 1HG1 ILE 35 HG12 ILE 35 190.467 -2.230 -2.346 301 2HG1 ILE 35 HG11 ILE 35 189.669 -3.751 -1.965 302 1HG2 ILE 35 HG21 ILE 35 191.895 -3.420 -4.908 303 2HG2 ILE 35 HG22 ILE 35 191.180 -1.813 -4.776 304 3HG2 ILE 35 HG23 ILE 35 190.628 -2.922 -6.030 305 1HD1 ILE 35 HD11 ILE 35 191.596 -4.919 -1.975 306 2HD1 ILE 35 HD12 ILE 35 192.274 -3.333 -1.604 307 3HD1 ILE 35 HD13 ILE 35 192.313 -3.944 -3.257 308 H ASN 36 HN ASN 36 187.743 -3.624 -2.081 309 HA ASN 36 HA ASN 36 185.723 -5.305 -3.407 310 1HB ASN 36 HB2 ASN 36 187.699 -5.912 -1.453 311 2HB ASN 36 HB1 ASN 36 186.122 -6.103 -0.694 312 1HD2 ASN 36 HD21 ASN 36 188.198 -8.050 -1.555 313 2HD2 ASN 36 HD22 ASN 36 187.360 -9.178 -2.561 314 HA PRO 37 HA PRO 37 183.319 -2.194 -0.944 315 1HB PRO 37 HB2 PRO 37 181.653 -1.398 -2.890 316 2HB PRO 37 HB1 PRO 37 183.288 -0.737 -2.745 317 1HG PRO 37 HG2 PRO 37 182.264 -2.868 -4.580 318 2HG PRO 37 HG1 PRO 37 183.357 -1.518 -4.934 319 1HD PRO 37 HD2 PRO 37 184.208 -4.077 -4.467 320 2HD PRO 37 HD1 PRO 37 185.192 -2.638 -4.139 321 H HIS 38 HN HIS 38 182.675 -4.311 0.039 322 HA HIS 38 HA HIS 38 180.488 -5.767 -1.092 323 1HB HIS 38 HB2 HIS 38 182.343 -6.193 0.962 324 2HB HIS 38 HB1 HIS 38 180.781 -6.120 1.773 325 HD1 HIS 38 HD1 HIS 38 182.881 -8.599 0.762 326 HD2 HIS 38 HD2 HIS 38 178.918 -7.811 -0.210 327 HE1 HIS 38 HE1 HIS 38 181.933 -10.791 -0.022 328 HE2 HIS 38 HE2 HIS 38 179.564 -10.266 -0.702 329 H ILE 39 HN ILE 39 178.328 -5.791 -0.449 330 HA ILE 39 HA ILE 39 177.446 -3.746 1.443 331 HB ILE 39 HB ILE 39 176.343 -3.941 -1.364 332 1HG1 ILE 39 HG12 ILE 39 178.092 -1.898 0.011 333 2HG1 ILE 39 HG11 ILE 39 178.444 -2.808 -1.453 334 1HG2 ILE 39 HG21 ILE 39 174.977 -1.995 -0.711 335 2HG2 ILE 39 HG22 ILE 39 175.581 -2.146 0.939 336 3HG2 ILE 39 HG23 ILE 39 174.599 -3.433 0.240 337 1HD1 ILE 39 HD11 ILE 39 176.158 -1.461 -2.125 338 2HD1 ILE 39 HD12 ILE 39 177.803 -0.970 -2.529 339 3HD1 ILE 39 HD13 ILE 39 177.009 -0.305 -1.101 340 H ILE 40 HN ILE 40 176.103 -4.648 2.826 341 HA ILE 40 HA ILE 40 174.456 -6.925 1.938 342 HB ILE 40 HB ILE 40 175.328 -6.329 4.765 343 1HG1 ILE 40 HG12 ILE 40 176.448 -8.359 2.820 344 2HG1 ILE 40 HG11 ILE 40 177.260 -6.879 3.324 345 1HG2 ILE 40 HG21 ILE 40 174.045 -8.762 3.530 346 2HG2 ILE 40 HG22 ILE 40 173.268 -7.606 4.613 347 3HG2 ILE 40 HG23 ILE 40 174.582 -8.622 5.205 348 1HD1 ILE 40 HD11 ILE 40 177.342 -9.422 4.533 349 2HD1 ILE 40 HD12 ILE 40 176.506 -8.340 5.645 350 3HD1 ILE 40 HD13 ILE 40 178.120 -7.931 5.063 351 H LEU 41 HN LEU 41 172.724 -5.601 1.252 352 HA LEU 41 HA LEU 41 171.432 -3.930 3.275 353 1HB LEU 41 HB2 LEU 41 171.641 -2.843 1.181 354 2HB LEU 41 HB1 LEU 41 171.071 -4.250 0.306 355 HG LEU 41 HG LEU 41 169.012 -3.402 2.106 356 1HD1 LEU 41 HD11 LEU 41 169.873 -1.207 2.157 357 2HD1 LEU 41 HD12 LEU 41 168.568 -1.189 0.970 358 3HD1 LEU 41 HD13 LEU 41 170.247 -1.234 0.432 359 1HD2 LEU 41 HD21 LEU 41 169.143 -3.212 -0.899 360 2HD2 LEU 41 HD22 LEU 41 167.697 -3.326 0.106 361 3HD2 LEU 41 HD23 LEU 41 168.801 -4.697 -0.013 362 H SER 42 HN SER 42 170.308 -5.203 4.652 363 HA SER 42 HA SER 42 168.441 -7.154 3.473 364 1HB SER 42 HB2 SER 42 169.609 -7.099 6.266 365 2HB SER 42 HB1 SER 42 168.500 -8.318 5.636 366 HG SER 42 HG SER 42 171.070 -7.746 4.576 367 H LYS 43 HN LYS 43 166.438 -7.508 4.795 368 HA LYS 43 HA LYS 43 165.379 -4.909 5.684 369 1HB LYS 43 HB2 LYS 43 164.220 -5.787 3.744 370 2HB LYS 43 HB1 LYS 43 163.965 -7.329 4.550 371 1HG LYS 43 HG2 LYS 43 162.904 -5.090 6.068 372 2HG LYS 43 HG1 LYS 43 162.196 -5.222 4.456 373 1HD LYS 43 HD2 LYS 43 162.343 -7.421 6.518 374 2HD LYS 43 HD1 LYS 43 160.904 -6.494 6.090 375 1HE LYS 43 HE2 LYS 43 161.443 -7.336 3.675 376 2HE LYS 43 HE1 LYS 43 162.358 -8.581 4.526 377 1HZ LYS 43 HZ1 LYS 43 160.418 -9.329 5.609 378 2HZ LYS 43 HZ2 LYS 43 159.992 -9.146 3.983 379 3HZ LYS 43 HZ3 LYS 43 159.515 -7.986 5.117 380 H GLU 44 HN GLU 44 165.656 -4.850 7.848 381 HA GLU 44 HA GLU 44 165.034 -7.226 9.430 382 1HB GLU 44 HB2 GLU 44 166.836 -4.986 9.723 383 2HB GLU 44 HB1 GLU 44 165.832 -5.162 11.154 384 1HG GLU 44 HG2 GLU 44 166.497 -7.642 11.060 385 2HG GLU 44 HG1 GLU 44 167.774 -7.105 9.972 386 HA PRO 45 HA PRO 45 160.953 -6.278 10.768 387 1HB PRO 45 HB2 PRO 45 161.856 -6.265 13.545 388 2HB PRO 45 HB1 PRO 45 160.766 -7.382 12.736 389 1HG PRO 45 HG2 PRO 45 163.572 -7.706 13.344 390 2HG PRO 45 HG1 PRO 45 162.438 -8.897 12.693 391 1HD PRO 45 HD2 PRO 45 164.542 -7.822 11.290 392 2HD PRO 45 HD1 PRO 45 163.083 -8.499 10.541 393 H GLN 46 HN GLN 46 163.446 -4.719 12.779 394 HA GLN 46 HA GLN 46 161.763 -2.336 12.951 395 1HB GLN 46 HB2 GLN 46 163.006 -3.659 14.903 396 2HB GLN 46 HB1 GLN 46 164.304 -2.552 14.470 397 1HG GLN 46 HG2 GLN 46 162.920 -1.706 16.306 398 2HG GLN 46 HG1 GLN 46 162.885 -0.649 14.894 399 1HE2 GLN 46 HE21 GLN 46 161.140 -3.654 15.561 400 2HE2 GLN 46 HE22 GLN 46 159.558 -2.972 15.428 401 H GLY 47 HN GLY 47 162.902 -2.626 10.451 402 1HA GLY 47 HA2 GLY 47 163.700 -0.609 9.282 403 2HA GLY 47 HA1 GLY 47 164.953 -0.495 10.506 404 H PHE 48 HN PHE 48 165.797 -0.338 8.039 405 HA PHE 48 HA PHE 48 166.517 -2.939 6.978 406 1HB PHE 48 HB2 PHE 48 166.838 -0.103 6.086 407 2HB PHE 48 HB1 PHE 48 167.892 -1.330 5.399 408 HD1 PHE 48 HD1 PHE 48 164.876 -2.932 6.110 409 HD2 PHE 48 HD2 PHE 48 166.614 -0.163 3.387 410 HE1 PHE 48 HE1 PHE 48 163.147 -3.480 4.451 411 HE2 PHE 48 HE2 PHE 48 164.883 -0.703 1.730 412 HZ PHE 48 HZ PHE 48 163.147 -2.366 2.258 413 H VAL 49 HN VAL 49 168.557 -3.797 6.898 414 HA VAL 49 HA VAL 49 170.546 -2.563 8.687 415 HB VAL 49 HB VAL 49 170.450 -5.461 7.857 416 1HG1 VAL 49 HG11 VAL 49 172.139 -3.818 9.642 417 2HG1 VAL 49 HG12 VAL 49 172.551 -5.233 8.675 418 3HG1 VAL 49 HG13 VAL 49 171.713 -5.430 10.215 419 1HG2 VAL 49 HG21 VAL 49 169.702 -5.471 10.463 420 2HG2 VAL 49 HG22 VAL 49 168.583 -5.562 9.103 421 3HG2 VAL 49 HG23 VAL 49 168.896 -4.012 9.884 422 H ALA 50 HN ALA 50 171.379 -1.239 6.990 423 HA ALA 50 HA ALA 50 172.523 -2.552 4.664 424 1HB ALA 50 HB1 ALA 50 172.927 -0.369 3.806 425 2HB ALA 50 HB2 ALA 50 172.683 0.365 5.390 426 3HB ALA 50 HB3 ALA 50 171.321 -0.357 4.533 427 H ASP 51 HN ASP 51 174.322 -3.676 5.161 428 HA ASP 51 HA ASP 51 176.433 -2.298 6.683 429 1HB ASP 51 HB2 ASP 51 175.723 -5.200 6.369 430 2HB ASP 51 HB1 ASP 51 177.358 -4.730 6.822 431 H ALA 52 HN ALA 52 177.631 -1.249 5.186 432 HA ALA 52 HA ALA 52 178.439 -2.686 2.760 433 1HB ALA 52 HB1 ALA 52 179.392 -0.126 2.491 434 2HB ALA 52 HB2 ALA 52 177.899 0.101 3.401 435 3HB ALA 52 HB3 ALA 52 177.865 -0.733 1.847 436 H THR 53 HN THR 53 180.260 -3.815 3.022 437 HA THR 53 HA THR 53 182.404 -2.735 4.702 438 HB THR 53 HB THR 53 182.381 -5.457 3.410 439 HG1 THR 53 HG1 THR 53 180.672 -5.808 4.582 440 1HG2 THR 53 HG21 THR 53 183.548 -5.977 5.641 441 2HG2 THR 53 HG22 THR 53 183.807 -4.235 5.730 442 3HG2 THR 53 HG23 THR 53 184.457 -5.155 4.373 443 H ILE 54 HN ILE 54 183.762 -1.448 3.647 444 HA ILE 54 HA ILE 54 184.489 -2.134 0.876 445 HB ILE 54 HB ILE 54 185.247 0.534 1.862 446 1HG1 ILE 54 HG12 ILE 54 182.340 -0.244 1.528 447 2HG1 ILE 54 HG11 ILE 54 183.103 0.391 2.982 448 1HG2 ILE 54 HG21 ILE 54 183.710 -0.278 -0.597 449 2HG2 ILE 54 HG22 ILE 54 185.468 -0.342 -0.481 450 3HG2 ILE 54 HG23 ILE 54 184.629 1.203 -0.334 451 1HD1 ILE 54 HD11 ILE 54 183.645 2.402 1.328 452 2HD1 ILE 54 HD12 ILE 54 182.138 2.289 2.238 453 3HD1 ILE 54 HD13 ILE 54 182.187 1.786 0.548 454 H ASN 55 HN ASN 55 186.570 -2.485 0.328 455 HA ASN 55 HA ASN 55 188.516 -2.536 2.511 456 1HB ASN 55 HB2 ASN 55 188.229 -4.624 1.283 457 2HB ASN 55 HB1 ASN 55 188.595 -3.807 -0.232 458 1HD2 ASN 55 HD21 ASN 55 190.222 -3.334 2.856 459 2HD2 ASN 55 HD22 ASN 55 191.754 -3.941 2.345 460 H THR 56 HN THR 56 189.317 -0.503 2.680 461 HA THR 56 HA THR 56 190.238 0.902 0.293 462 HB THR 56 HB THR 56 190.352 2.845 1.616 463 HG1 THR 56 HG1 THR 56 190.457 1.101 3.840 464 1HG2 THR 56 HG21 THR 56 188.166 3.005 1.855 465 2HG2 THR 56 HG22 THR 56 188.289 2.148 3.393 466 3HG2 THR 56 HG23 THR 56 188.012 1.250 1.902 467 HA PRO 57 HA PRO 57 194.540 0.010 0.626 468 1HB PRO 57 HB2 PRO 57 195.671 2.543 0.714 469 2HB PRO 57 HB1 PRO 57 195.202 1.688 -0.758 470 1HG PRO 57 HG2 PRO 57 193.724 3.788 0.769 471 2HG PRO 57 HG1 PRO 57 193.869 3.568 -0.985 472 1HD PRO 57 HD2 PRO 57 191.649 2.852 0.321 473 2HD PRO 57 HD1 PRO 57 192.272 1.877 -1.027 474 H ASN 58 HN ASN 58 193.047 2.063 2.992 475 HA ASN 58 HA ASN 58 195.292 1.655 4.841 476 1HB ASN 58 HB2 ASN 58 194.124 3.398 6.232 477 2HB ASN 58 HB1 ASN 58 194.703 3.968 4.669 478 1HD2 ASN 58 HD21 ASN 58 193.337 5.182 3.602 479 2HD2 ASN 58 HD22 ASN 58 191.613 5.131 3.718 480 H GLY 59 HN GLY 59 193.247 -0.385 4.115 481 1HA GLY 59 HA2 GLY 59 192.838 -2.091 5.890 482 2HA GLY 59 HA1 GLY 59 192.102 -0.788 6.812 483 H VAL 60 HN VAL 60 190.071 -1.637 6.992 484 HA VAL 60 HA VAL 60 188.541 -1.807 4.485 485 HB VAL 60 HB VAL 60 188.098 -3.667 6.820 486 1HG1 VAL 60 HG11 VAL 60 186.354 -2.962 4.886 487 2HG1 VAL 60 HG12 VAL 60 186.364 -4.540 5.674 488 3HG1 VAL 60 HG13 VAL 60 187.152 -4.331 4.110 489 1HG2 VAL 60 HG21 VAL 60 190.314 -3.947 5.565 490 2HG2 VAL 60 HG22 VAL 60 189.326 -4.470 4.200 491 3HG2 VAL 60 HG23 VAL 60 189.276 -5.365 5.719 492 H LEU 61 HN LEU 61 187.237 -0.098 4.571 493 HA LEU 61 HA LEU 61 186.251 0.977 7.040 494 1HB LEU 61 HB2 LEU 61 185.872 1.626 4.139 495 2HB LEU 61 HB1 LEU 61 184.828 2.354 5.341 496 HG LEU 61 HG LEU 61 187.050 3.533 4.482 497 1HD1 LEU 61 HD11 LEU 61 187.119 4.399 7.037 498 2HD1 LEU 61 HD12 LEU 61 185.539 3.619 6.999 499 3HD1 LEU 61 HD13 LEU 61 185.916 4.901 5.850 500 1HD2 LEU 61 HD21 LEU 61 188.940 3.182 5.863 501 2HD2 LEU 61 HD22 LEU 61 188.431 1.588 5.309 502 3HD2 LEU 61 HD23 LEU 61 188.042 2.117 6.945 503 H VAL 62 HN VAL 62 184.713 -0.047 8.140 504 HA VAL 62 HA VAL 62 182.702 -1.613 6.727 505 HB VAL 62 HB VAL 62 183.322 -1.356 9.672 506 1HG1 VAL 62 HG11 VAL 62 181.070 -1.839 9.759 507 2HG1 VAL 62 HG12 VAL 62 181.764 -3.459 9.696 508 3HG1 VAL 62 HG13 VAL 62 181.092 -2.731 8.236 509 1HG2 VAL 62 HG21 VAL 62 183.538 -3.869 8.082 510 2HG2 VAL 62 HG22 VAL 62 184.427 -3.366 9.520 511 3HG2 VAL 62 HG23 VAL 62 184.810 -2.655 7.951 512 H ALA 63 HN ALA 63 181.088 -0.418 5.957 513 HA ALA 63 HA ALA 63 180.035 1.831 7.475 514 1HB ALA 63 HB1 ALA 63 178.811 2.398 5.511 515 2HB ALA 63 HB2 ALA 63 179.103 0.812 4.799 516 3HB ALA 63 HB3 ALA 63 180.438 1.947 5.001 517 H SER 64 HN SER 64 178.791 1.138 9.141 518 HA SER 64 HA SER 64 176.711 -0.859 8.553 519 1HB SER 64 HB2 SER 64 177.248 -0.153 11.372 520 2HB SER 64 HB1 SER 64 176.971 -1.729 10.630 521 HG SER 64 HG SER 64 179.328 -0.388 11.106 522 H GLY 65 HN GLY 65 174.841 0.114 8.063 523 1HA GLY 65 HA2 GLY 65 173.957 2.338 9.794 524 2HA GLY 65 HA1 GLY 65 173.674 2.338 8.061 525 H LYS 66 HN LYS 66 171.853 2.340 10.474 526 HA LYS 66 HA LYS 66 170.045 0.292 9.450 527 1HB LYS 66 HB2 LYS 66 171.129 -0.838 11.288 528 2HB LYS 66 HB1 LYS 66 170.853 0.534 12.349 529 1HG LYS 66 HG2 LYS 66 168.417 -0.572 11.162 530 2HG LYS 66 HG1 LYS 66 169.288 -1.684 12.218 531 1HD LYS 66 HD2 LYS 66 168.546 1.133 12.992 532 2HD LYS 66 HD1 LYS 66 167.561 -0.283 13.370 533 1HE LYS 66 HE2 LYS 66 169.095 -1.115 14.876 534 2HE LYS 66 HE1 LYS 66 170.447 -0.266 14.128 535 1HZ LYS 66 HZ1 LYS 66 168.276 1.153 15.557 536 2HZ LYS 66 HZ2 LYS 66 169.791 1.751 15.108 537 3HZ LYS 66 HZ3 LYS 66 169.669 0.603 16.342 538 H HIS 67 HN HIS 67 167.916 0.869 9.502 539 HA HIS 67 HA HIS 67 166.896 2.889 11.237 540 1HB HIS 67 HB2 HIS 67 168.173 3.850 8.928 541 2HB HIS 67 HB1 HIS 67 166.446 3.992 8.611 542 HD1 HIS 67 HD1 HIS 67 165.882 4.541 11.783 543 HD2 HIS 67 HD2 HIS 67 168.394 6.638 9.222 544 HE1 HIS 67 HE1 HIS 67 166.115 6.832 12.795 545 HE2 HIS 67 HE2 HIS 67 167.572 8.106 11.185 546 H GLU 68 HN GLU 68 164.635 3.234 11.015 547 HA GLU 68 HA GLU 68 163.188 0.945 10.306 548 1HB GLU 68 HB2 GLU 68 161.225 2.148 10.917 549 2HB GLU 68 HB1 GLU 68 162.510 2.665 11.999 550 1HG GLU 68 HG2 GLU 68 161.760 4.212 9.538 551 2HG GLU 68 HG1 GLU 68 160.970 4.456 11.094 552 H ASP 69 HN ASP 69 163.778 3.939 8.548 553 HA ASP 69 HA ASP 69 162.101 2.992 6.344 554 1HB ASP 69 HB2 ASP 69 162.650 5.558 7.424 555 2HB ASP 69 HB1 ASP 69 163.298 5.534 5.787 556 H MET 70 HN MET 70 162.872 2.918 4.199 557 HA MET 70 HA MET 70 165.362 1.679 3.876 558 1HB MET 70 HB2 MET 70 163.596 1.233 2.319 559 2HB MET 70 HB1 MET 70 163.468 2.930 1.885 560 1HG MET 70 HG2 MET 70 166.131 2.106 1.371 561 2HG MET 70 HG1 MET 70 165.046 0.897 0.689 562 1HE MET 70 HE1 MET 70 162.994 1.579 -0.976 563 2HE MET 70 HE2 MET 70 162.742 3.226 -1.553 564 3HE MET 70 HE3 MET 70 162.494 2.840 0.150 565 H TYR 71 HN TYR 71 164.367 4.810 2.484 566 HA TYR 71 HA TYR 71 166.895 5.627 1.694 567 1HB TYR 71 HB2 TYR 71 164.401 7.152 2.380 568 2HB TYR 71 HB1 TYR 71 165.875 7.996 1.919 569 HD1 TYR 71 HD1 TYR 71 163.300 8.193 0.410 570 HD2 TYR 71 HD2 TYR 71 166.574 5.509 -0.023 571 HE1 TYR 71 HE1 TYR 71 162.728 7.879 -1.961 572 HE2 TYR 71 HE2 TYR 71 166.014 5.189 -2.385 573 HH TYR 71 HH TYR 71 163.098 6.079 -3.722 574 H THR 72 HN THR 72 165.276 6.144 4.803 575 HA THR 72 HA THR 72 167.215 7.861 5.902 576 HB THR 72 HB THR 72 166.324 7.047 8.117 577 HG1 THR 72 HG1 THR 72 165.079 5.365 8.182 578 1HG2 THR 72 HG21 THR 72 164.392 7.972 6.019 579 2HG2 THR 72 HG22 THR 72 165.220 8.931 7.246 580 3HG2 THR 72 HG23 THR 72 163.955 7.793 7.719 581 H ALA 73 HN ALA 73 167.131 4.422 5.432 582 HA ALA 73 HA ALA 73 169.204 3.762 7.277 583 1HB ALA 73 HB1 ALA 73 168.819 1.622 6.681 584 2HB ALA 73 HB2 ALA 73 168.787 1.995 4.957 585 3HB ALA 73 HB3 ALA 73 167.364 2.306 5.954 586 H ILE 74 HN ILE 74 169.109 4.430 3.801 587 HA ILE 74 HA ILE 74 171.837 3.834 3.315 588 HB ILE 74 HB ILE 74 170.934 5.913 1.527 589 1HG1 ILE 74 HG12 ILE 74 168.667 5.107 2.245 590 2HG1 ILE 74 HG11 ILE 74 169.004 4.896 0.534 591 1HG2 ILE 74 HG21 ILE 74 171.087 3.801 -0.039 592 2HG2 ILE 74 HG22 ILE 74 171.871 3.100 1.377 593 3HG2 ILE 74 HG23 ILE 74 172.530 4.558 0.637 594 1HD1 ILE 74 HD11 ILE 74 169.644 2.513 1.104 595 2HD1 ILE 74 HD12 ILE 74 167.935 2.934 1.209 596 3HD1 ILE 74 HD13 ILE 74 168.905 2.808 2.678 597 H ASN 75 HN ASN 75 170.150 6.896 3.946 598 HA ASN 75 HA ASN 75 172.314 8.623 3.726 599 1HB ASN 75 HB2 ASN 75 169.957 8.822 5.612 600 2HB ASN 75 HB1 ASN 75 171.033 10.148 5.185 601 1HD2 ASN 75 HD21 ASN 75 168.079 9.181 4.688 602 2HD2 ASN 75 HD22 ASN 75 167.827 9.638 3.042 603 H GLU 76 HN GLU 76 171.044 7.115 6.698 604 HA GLU 76 HA GLU 76 172.965 8.050 8.464 605 1HB GLU 76 HB2 GLU 76 170.788 6.399 8.657 606 2HB GLU 76 HB1 GLU 76 172.109 5.278 8.959 607 1HG GLU 76 HG2 GLU 76 172.736 6.325 10.899 608 2HG GLU 76 HG1 GLU 76 172.056 7.876 10.410 609 H LEU 77 HN LEU 77 172.970 5.081 6.526 610 HA LEU 77 HA LEU 77 175.266 3.867 7.381 611 1HB LEU 77 HB2 LEU 77 173.561 3.700 5.134 612 2HB LEU 77 HB1 LEU 77 175.192 3.791 4.505 613 HG LEU 77 HG LEU 77 173.971 1.672 6.240 614 1HD1 LEU 77 HD11 LEU 77 174.832 0.203 4.515 615 2HD1 LEU 77 HD12 LEU 77 175.581 1.574 3.694 616 3HD1 LEU 77 HD13 LEU 77 173.824 1.464 3.803 617 1HD2 LEU 77 HD21 LEU 77 176.205 0.692 6.497 618 2HD2 LEU 77 HD22 LEU 77 176.066 2.235 7.331 619 3HD2 LEU 77 HD23 LEU 77 176.916 2.140 5.790 620 H ILE 78 HN ILE 78 174.984 6.425 4.950 621 HA ILE 78 HA ILE 78 177.686 6.596 4.261 622 HB ILE 78 HB ILE 78 175.282 8.047 3.691 623 1HG1 ILE 78 HG12 ILE 78 176.468 8.566 1.609 624 2HG1 ILE 78 HG11 ILE 78 177.985 8.046 2.337 625 1HG2 ILE 78 HG21 ILE 78 176.119 9.865 5.029 626 2HG2 ILE 78 HG22 ILE 78 176.239 10.292 3.322 627 3HG2 ILE 78 HG23 ILE 78 177.680 9.796 4.208 628 1HD1 ILE 78 HD11 ILE 78 177.587 6.010 1.586 629 2HD1 ILE 78 HD12 ILE 78 175.998 6.499 0.998 630 3HD1 ILE 78 HD13 ILE 78 176.186 5.917 2.652 631 H ASN 79 HN ASN 79 175.840 8.395 6.713 632 HA ASN 79 HA ASN 79 177.780 10.167 7.543 633 1HB ASN 79 HB2 ASN 79 176.270 10.708 9.121 634 2HB ASN 79 HB1 ASN 79 175.247 9.478 8.391 635 1HD2 ASN 79 HD21 ASN 79 174.490 7.988 9.702 636 2HD2 ASN 79 HD22 ASN 79 175.153 7.543 11.232 637 H LYS 80 HN LYS 80 177.251 6.855 8.728 638 HA LYS 80 HA LYS 80 179.388 6.884 10.579 639 1HB LYS 80 HB2 LYS 80 177.330 5.162 10.005 640 2HB LYS 80 HB1 LYS 80 178.727 4.267 9.422 641 1HG LYS 80 HG2 LYS 80 179.071 3.596 11.504 642 2HG LYS 80 HG1 LYS 80 179.491 5.260 11.912 643 1HD LYS 80 HD2 LYS 80 176.927 5.581 12.149 644 2HD LYS 80 HD1 LYS 80 176.891 3.821 12.270 645 1HE LYS 80 HE2 LYS 80 177.786 3.821 14.333 646 2HE LYS 80 HE1 LYS 80 178.916 5.120 13.948 647 1HZ LYS 80 HZ1 LYS 80 176.029 5.615 14.375 648 2HZ LYS 80 HZ2 LYS 80 177.295 6.738 14.383 649 3HZ LYS 80 HZ3 LYS 80 177.143 5.627 15.650 650 H LEU 81 HN LEU 81 179.132 5.464 7.323 651 HA LEU 81 HA LEU 81 181.729 4.495 7.109 652 1HB LEU 81 HB2 LEU 81 179.854 4.034 5.539 653 2HB LEU 81 HB1 LEU 81 180.046 5.648 4.885 654 HG LEU 81 HG LEU 81 181.090 3.696 3.593 655 1HD1 LEU 81 HD11 LEU 81 183.138 5.771 4.193 656 2HD1 LEU 81 HD12 LEU 81 181.587 6.270 3.516 657 3HD1 LEU 81 HD13 LEU 81 182.603 5.124 2.641 658 1HD2 LEU 81 HD21 LEU 81 183.289 4.026 5.620 659 2HD2 LEU 81 HD22 LEU 81 183.201 2.878 4.285 660 3HD2 LEU 81 HD23 LEU 81 182.121 2.705 5.671 661 H GLU 82 HN GLU 82 180.449 7.695 6.243 662 HA GLU 82 HA GLU 82 182.707 8.788 5.077 663 1HB GLU 82 HB2 GLU 82 180.250 9.734 5.623 664 2HB GLU 82 HB1 GLU 82 181.161 10.569 6.874 665 1HG GLU 82 HG2 GLU 82 182.033 12.001 5.418 666 2HG GLU 82 HG1 GLU 82 182.472 10.714 4.297 667 H ARG 83 HN ARG 83 181.728 9.315 8.471 668 HA ARG 83 HA ARG 83 183.989 10.561 9.386 669 1HB ARG 83 HB2 ARG 83 181.865 8.926 10.616 670 2HB ARG 83 HB1 ARG 83 183.345 9.060 11.556 671 1HG ARG 83 HG2 ARG 83 181.632 10.765 12.112 672 2HG ARG 83 HG1 ARG 83 183.179 11.444 11.607 673 1HD ARG 83 HD2 ARG 83 182.152 11.573 9.266 674 2HD ARG 83 HD1 ARG 83 180.606 11.292 10.062 675 HE ARG 83 HE ARG 83 182.228 13.692 10.179 676 1HH1 ARG 83 HH11 ARG 83 179.547 11.909 11.534 677 2HH1 ARG 83 HH12 ARG 83 178.807 13.309 12.227 678 1HH2 ARG 83 HH21 ARG 83 181.255 15.532 11.094 679 2HH2 ARG 83 HH22 ARG 83 179.775 15.366 11.978 680 H GLN 84 HN GLN 84 183.449 7.081 9.039 681 HA GLN 84 HA GLN 84 185.846 6.226 10.241 682 1HB GLN 84 HB2 GLN 84 184.160 4.931 8.091 683 2HB GLN 84 HB1 GLN 84 185.493 4.133 8.912 684 1HG GLN 84 HG2 GLN 84 184.294 3.747 10.766 685 2HG GLN 84 HG1 GLN 84 183.472 5.306 10.686 686 1HE2 GLN 84 HE21 GLN 84 183.602 2.834 8.182 687 2HE2 GLN 84 HE22 GLN 84 181.910 2.491 8.174 688 H LEU 85 HN LEU 85 185.063 7.298 6.996 689 HA LEU 85 HA LEU 85 187.436 6.484 5.717 690 1HB LEU 85 HB2 LEU 85 185.087 7.868 5.017 691 2HB LEU 85 HB1 LEU 85 186.414 8.941 4.612 692 HG LEU 85 HG LEU 85 186.493 6.087 3.713 693 1HD1 LEU 85 HD11 LEU 85 185.000 6.338 2.050 694 2HD1 LEU 85 HD12 LEU 85 185.379 8.046 1.821 695 3HD1 LEU 85 HD13 LEU 85 184.304 7.549 3.129 696 1HD2 LEU 85 HD21 LEU 85 188.449 6.929 3.009 697 2HD2 LEU 85 HD22 LEU 85 187.904 8.597 3.168 698 3HD2 LEU 85 HD23 LEU 85 187.483 7.666 1.731 699 H ASN 86 HN ASN 86 186.541 9.831 6.562 700 HA ASN 86 HA ASN 86 189.025 10.969 6.265 701 1HB ASN 86 HB2 ASN 86 188.163 12.578 8.165 702 2HB ASN 86 HB1 ASN 86 187.414 12.573 6.573 703 1HD2 ASN 86 HD21 ASN 86 185.390 11.657 6.310 704 2HD2 ASN 86 HD22 ASN 86 184.354 11.325 7.643 705 H LYS 87 HN LYS 87 187.813 9.062 8.907 706 HA LYS 87 HA LYS 87 189.636 9.749 10.907 707 1HB LYS 87 HB2 LYS 87 187.654 8.376 11.322 708 2HB LYS 87 HB1 LYS 87 188.337 7.075 10.359 709 1HG LYS 87 HG2 LYS 87 190.078 7.967 12.527 710 2HG LYS 87 HG1 LYS 87 188.531 7.315 13.070 711 1HD LYS 87 HD2 LYS 87 190.467 5.938 11.210 712 2HD LYS 87 HD1 LYS 87 190.251 5.572 12.922 713 1HE LYS 87 HE2 LYS 87 188.364 5.104 10.639 714 2HE LYS 87 HE1 LYS 87 188.974 3.952 11.826 715 1HZ LYS 87 HZ1 LYS 87 187.677 5.162 13.526 716 2HZ LYS 87 HZ2 LYS 87 186.708 4.463 12.329 717 3HZ LYS 87 HZ3 LYS 87 187.012 6.127 12.306 718 H LEU 88 HN LEU 88 189.781 6.789 8.920 719 HA LEU 88 HA LEU 88 192.499 6.285 9.546 720 1HB LEU 88 HB2 LEU 88 190.449 5.122 7.765 721 2HB LEU 88 HB1 LEU 88 192.112 4.853 7.279 722 HG LEU 88 HG LEU 88 191.198 4.219 10.068 723 1HD1 LEU 88 HD11 LEU 88 191.218 1.801 8.877 724 2HD1 LEU 88 HD12 LEU 88 190.574 2.795 7.568 725 3HD1 LEU 88 HD13 LEU 88 189.759 2.762 9.132 726 1HD2 LEU 88 HD21 LEU 88 193.652 4.346 9.309 727 2HD2 LEU 88 HD22 LEU 88 193.312 2.848 8.444 728 3HD2 LEU 88 HD23 LEU 88 193.125 2.917 10.196 729 H GLN 89 HN GLN 89 190.900 8.070 7.010 730 HA GLN 89 HA GLN 89 193.096 8.227 5.224 731 1HB GLN 89 HB2 GLN 89 190.544 8.790 4.902 732 2HB GLN 89 HB1 GLN 89 191.052 10.402 5.385 733 1HG GLN 89 HG2 GLN 89 191.594 10.775 3.274 734 2HG GLN 89 HG1 GLN 89 192.910 9.620 3.473 735 1HE2 GLN 89 HE21 GLN 89 192.925 7.933 2.171 736 2HE2 GLN 89 HE22 GLN 89 191.583 7.342 1.257 737 H HIS 90 HN HIS 90 192.370 9.822 8.181 738 HA HIS 90 HA HIS 90 193.956 12.162 7.694 739 1HB HIS 90 HB2 HIS 90 192.233 11.144 9.806 740 2HB HIS 90 HB1 HIS 90 193.674 11.928 10.446 741 HD1 HIS 90 HD1 HIS 90 194.093 14.430 9.341 742 HD2 HIS 90 HD2 HIS 90 190.241 12.876 9.232 743 HE1 HIS 90 HE1 HIS 90 192.582 16.403 8.962 744 HE2 HIS 90 HE2 HIS 90 190.250 15.450 8.986 745 H LYS 91 HN LYS 91 195.291 9.492 7.398 746 HA LYS 91 HA LYS 91 197.176 9.436 9.596 747 1HB LYS 91 HB2 LYS 91 197.703 7.331 8.937 748 2HB LYS 91 HB1 LYS 91 196.151 7.444 8.126 749 1HG LYS 91 HG2 LYS 91 198.876 7.812 6.897 750 2HG LYS 91 HG1 LYS 91 197.742 6.490 6.620 751 1HD LYS 91 HD2 LYS 91 196.673 9.179 6.092 752 2HD LYS 91 HD1 LYS 91 197.979 8.671 5.021 753 1HE LYS 91 HE2 LYS 91 195.373 7.246 5.531 754 2HE LYS 91 HE1 LYS 91 195.887 8.032 4.037 755 1HZ LYS 91 HZ1 LYS 91 196.598 5.430 5.099 756 2HZ LYS 91 HZ2 LYS 91 197.874 6.298 4.406 757 3HZ LYS 91 HZ3 LYS 91 196.492 5.954 3.494 758 H GLY 92 HN GLY 92 196.924 11.526 7.217 759 1HA GLY 92 HA2 GLY 92 199.213 11.531 5.684 760 2HA GLY 92 HA1 GLY 92 198.405 12.987 6.244 761 H GLU 93 HN GLU 93 201.130 10.945 6.561 762 HA GLU 93 HA GLU 93 202.284 12.815 8.505 763 1HB GLU 93 HB2 GLU 93 203.318 10.989 9.747 764 2HB GLU 93 HB1 GLU 93 201.566 10.821 9.751 765 1HG GLU 93 HG2 GLU 93 201.982 9.272 7.706 766 2HG GLU 93 HG1 GLU 93 203.623 9.184 8.344 767 H ALA 94 HN ALA 94 204.352 13.390 8.101 768 HA ALA 94 HA ALA 94 205.477 12.751 5.567 769 1HB ALA 94 HB1 ALA 94 207.502 14.015 6.682 770 2HB ALA 94 HB2 ALA 94 206.278 14.442 7.879 771 3HB ALA 94 HB3 ALA 94 206.046 14.877 6.186 772 H ARG 95 HN ARG 95 206.040 10.636 5.340 773 HA ARG 95 HA ARG 95 207.351 9.113 7.346 774 1HB ARG 95 HB2 ARG 95 207.300 8.579 4.371 775 2HB ARG 95 HB1 ARG 95 207.599 7.409 5.650 776 1HG ARG 95 HG2 ARG 95 205.367 7.409 6.335 777 2HG ARG 95 HG1 ARG 95 205.016 8.918 5.490 778 1HD ARG 95 HD2 ARG 95 205.515 7.671 3.343 779 2HD ARG 95 HD1 ARG 95 205.497 6.194 4.306 780 HE ARG 95 HE ARG 95 203.137 7.356 4.923 781 1HH1 ARG 95 HH11 ARG 95 204.681 6.572 1.894 782 2HH1 ARG 95 HH12 ARG 95 203.188 6.322 1.054 783 1HH2 ARG 95 HH21 ARG 95 201.172 7.028 3.819 784 2HH2 ARG 95 HH22 ARG 95 201.196 6.582 2.145 785 H ARG 96 HN ARG 96 209.079 10.581 7.919 786 HA ARG 96 HA ARG 96 211.201 10.968 5.971 787 1HB ARG 96 HB2 ARG 96 211.133 11.768 8.884 788 2HB ARG 96 HB1 ARG 96 212.267 12.333 7.666 789 1HG ARG 96 HG2 ARG 96 210.195 13.224 6.441 790 2HG ARG 96 HG1 ARG 96 209.365 12.993 7.981 791 1HD ARG 96 HD2 ARG 96 211.162 14.381 9.047 792 2HD ARG 96 HD1 ARG 96 211.757 14.738 7.427 793 HE ARG 96 HE ARG 96 208.973 15.332 7.759 794 1HH1 ARG 96 HH11 ARG 96 212.210 16.545 8.223 795 2HH1 ARG 96 HH12 ARG 96 211.728 18.207 8.183 796 1HH2 ARG 96 HH21 ARG 96 208.335 17.518 7.706 797 2HH2 ARG 96 HH22 ARG 96 209.529 18.761 7.889 798 H ALA 97 HN ALA 97 213.474 10.495 6.646 799 HA ALA 97 HA ALA 97 215.097 8.981 7.152 800 1HB ALA 97 HB1 ALA 97 213.795 7.716 9.421 801 2HB ALA 97 HB2 ALA 97 213.735 9.477 9.499 802 3HB ALA 97 HB3 ALA 97 215.287 8.653 9.349 803 H ALA 98 HN ALA 98 214.732 7.731 5.285 804 HA ALA 98 HA ALA 98 212.852 5.578 5.250 805 1HB ALA 98 HB1 ALA 98 213.422 6.548 3.161 806 2HB ALA 98 HB2 ALA 98 214.095 4.918 3.163 807 3HB ALA 98 HB3 ALA 98 215.145 6.306 3.443 808 H THR 99 HN THR 99 213.792 3.324 4.548 809 HA THR 99 HA THR 99 215.653 2.535 6.675 810 HB THR 99 HB THR 99 214.130 0.552 5.040 811 HG1 THR 99 HG1 THR 99 213.037 2.231 7.039 812 1HG2 THR 99 HG21 THR 99 214.801 -0.831 6.619 813 2HG2 THR 99 HG22 THR 99 213.948 0.129 7.828 814 3HG2 THR 99 HG23 THR 99 215.629 0.492 7.438 815 H SER 100 HN SER 100 215.128 2.326 3.202 816 HA SER 100 HA SER 100 217.332 0.616 2.660 817 1HB SER 100 HB2 SER 100 216.845 0.939 0.386 818 2HB SER 100 HB1 SER 100 215.279 1.130 1.175 819 HG SER 100 HG SER 100 215.859 2.781 -0.410 820 H VAL 101 HN VAL 101 217.226 3.836 3.629 821 HA VAL 101 HA VAL 101 219.503 4.757 2.124 822 HB VAL 101 HB VAL 101 218.140 5.982 4.528 823 1HG1 VAL 101 HG11 VAL 101 220.260 6.954 4.496 824 2HG1 VAL 101 HG12 VAL 101 219.272 8.086 3.572 825 3HG1 VAL 101 HG13 VAL 101 220.338 6.957 2.735 826 1HG2 VAL 101 HG21 VAL 101 217.910 6.938 1.697 827 2HG2 VAL 101 HG22 VAL 101 216.854 7.263 3.071 828 3HG2 VAL 101 HG23 VAL 101 216.853 5.670 2.316 829 H LYS 102 HN LYS 102 218.901 3.992 5.558 830 HA LYS 102 HA LYS 102 221.771 3.992 6.061 831 1HB LYS 102 HB2 LYS 102 219.509 4.661 7.590 832 2HB LYS 102 HB1 LYS 102 220.181 3.219 8.340 833 1HG LYS 102 HG2 LYS 102 222.135 5.299 7.630 834 2HG LYS 102 HG1 LYS 102 220.981 5.730 8.894 835 1HD LYS 102 HD2 LYS 102 221.666 3.946 10.272 836 2HD LYS 102 HD1 LYS 102 222.515 3.146 8.949 837 1HE LYS 102 HE2 LYS 102 223.952 4.343 10.665 838 2HE LYS 102 HE1 LYS 102 224.257 4.727 8.971 839 1HZ LYS 102 HZ1 LYS 102 224.066 6.624 10.685 840 2HZ LYS 102 HZ2 LYS 102 222.398 6.383 10.541 841 3HZ LYS 102 HZ3 LYS 102 223.313 6.801 9.181 842 H ASP 103 HN ASP 103 220.353 1.842 4.480 843 HA ASP 103 HA ASP 103 220.709 -0.482 6.203 844 1HB ASP 103 HB2 ASP 103 219.644 -1.762 4.498 845 2HB ASP 103 HB1 ASP 103 218.742 -0.255 4.624 846 H ALA 104 HN ALA 104 222.302 1.211 3.627 847 HA ALA 104 HA ALA 104 224.126 -0.952 3.034 848 1HB ALA 104 HB1 ALA 104 225.249 1.136 1.793 849 2HB ALA 104 HB2 ALA 104 223.605 1.752 1.960 850 3HB ALA 104 HB3 ALA 104 223.895 0.229 1.117 851 H ASN 105 HN ASN 105 225.602 -1.448 4.522 852 HA ASN 105 HA ASN 105 226.673 0.519 6.328 853 1HB ASN 105 HB2 ASN 105 226.420 -2.287 6.313 854 2HB ASN 105 HB1 ASN 105 228.150 -1.962 6.338 855 1HD2 ASN 105 HD21 ASN 105 228.293 0.319 7.803 856 2HD2 ASN 105 HD22 ASN 105 227.749 0.022 9.416 857 H PHE 106 HN PHE 106 227.741 -1.171 3.448 858 HA PHE 106 HA PHE 106 230.463 -0.517 3.573 859 1HB PHE 106 HB2 PHE 106 230.587 -1.156 1.271 860 2HB PHE 106 HB1 PHE 106 229.421 -2.217 2.050 861 HD1 PHE 106 HD1 PHE 106 226.925 -1.537 1.822 862 HD2 PHE 106 HD2 PHE 106 230.038 -0.082 -0.689 863 HE1 PHE 106 HE1 PHE 106 225.263 -0.971 0.100 864 HE2 PHE 106 HE2 PHE 106 228.382 0.489 -2.416 865 HZ PHE 106 HZ PHE 106 225.991 0.044 -2.022 866 H VAL 107 HN VAL 107 230.800 0.756 0.956 867 HA VAL 107 HA VAL 107 230.616 3.489 1.871 868 HB VAL 107 HB VAL 107 231.596 2.788 -0.862 869 1HG1 VAL 107 HG11 VAL 107 232.944 4.609 1.074 870 2HG1 VAL 107 HG12 VAL 107 231.449 5.133 0.298 871 3HG1 VAL 107 HG13 VAL 107 232.849 4.704 -0.684 872 1HG2 VAL 107 HG21 VAL 107 232.758 1.106 0.216 873 2HG2 VAL 107 HG22 VAL 107 232.867 2.006 1.728 874 3HG2 VAL 107 HG23 VAL 107 233.879 2.463 0.356 875 H GLU 108 HN GLU 108 228.252 1.739 0.671 876 HA GLU 108 HA GLU 108 226.296 2.238 -0.372 877 1HB GLU 108 HB2 GLU 108 227.221 4.711 0.578 878 2HB GLU 108 HB1 GLU 108 226.689 4.995 -1.073 879 1HG GLU 108 HG2 GLU 108 224.684 5.281 -0.137 880 2HG GLU 108 HG1 GLU 108 224.631 3.518 -0.124 881 H GLU 109 HN GLU 109 228.547 4.409 -1.944 882 HA GLU 109 HA GLU 109 227.646 3.545 -4.556 883 1HB GLU 109 HB2 GLU 109 228.593 5.941 -3.563 884 2HB GLU 109 HB1 GLU 109 229.957 5.339 -4.496 885 1HG GLU 109 HG2 GLU 109 228.845 5.487 -6.484 886 2HG GLU 109 HG1 GLU 109 227.260 5.279 -5.740 887 H VAL 110 HN VAL 110 228.903 2.535 -6.115 888 HA VAL 110 HA VAL 110 231.596 1.677 -5.420 889 HB VAL 110 HB VAL 110 230.544 -0.681 -6.431 890 1HG1 VAL 110 HG11 VAL 110 231.432 -1.600 -4.554 891 2HG1 VAL 110 HG12 VAL 110 230.715 -0.391 -3.487 892 3HG1 VAL 110 HG13 VAL 110 232.153 0.006 -4.429 893 1HG2 VAL 110 HG21 VAL 110 228.264 0.023 -6.075 894 2HG2 VAL 110 HG22 VAL 110 228.625 0.470 -4.407 895 3HG2 VAL 110 HG23 VAL 110 228.675 -1.223 -4.896 896 H GLU 111 HN GLU 111 232.890 1.686 -7.144 897 HA GLU 111 HA GLU 111 231.769 2.311 -9.730 898 1HB GLU 111 HB2 GLU 111 233.775 3.478 -8.899 899 2HB GLU 111 HB1 GLU 111 234.651 1.954 -8.889 900 1HG GLU 111 HG2 GLU 111 235.168 3.364 -10.839 901 2HG GLU 111 HG1 GLU 111 234.507 1.789 -11.278 902 H GLU 112 HN GLU 112 232.318 -0.535 -8.137 903 HA GLU 112 HA GLU 112 233.112 -2.007 -10.543 904 1HB GLU 112 HB2 GLU 112 232.765 -3.064 -7.734 905 2HB GLU 112 HB1 GLU 112 233.525 -3.889 -9.088 906 1HG GLU 112 HG2 GLU 112 235.402 -3.167 -8.081 907 2HG GLU 112 HG1 GLU 112 235.061 -1.709 -9.009 908 H GLU 113 HN GLU 113 230.451 -1.515 -8.345 909 HA GLU 113 HA GLU 113 228.858 -3.714 -9.007 910 1HB GLU 113 HB2 GLU 113 228.546 -1.213 -7.597 911 2HB GLU 113 HB1 GLU 113 227.111 -1.559 -8.554 912 1HG GLU 113 HG2 GLU 113 226.985 -2.413 -6.247 913 2HG GLU 113 HG1 GLU 113 226.826 -3.675 -7.468 Start of MODEL 13 1 1H MET 1 HT1 MET 1 187.697 -1.130 -6.787 2 2H MET 1 HT2 MET 1 187.456 -2.705 -7.424 3 3H MET 1 HT3 MET 1 186.326 -2.042 -6.316 4 HA MET 1 HA MET 1 185.839 -0.297 -7.914 5 1HB MET 1 HB2 MET 1 187.418 -2.040 -9.809 6 2HB MET 1 HB1 MET 1 186.670 -0.487 -10.159 7 1HG MET 1 HG2 MET 1 188.228 0.551 -8.515 8 2HG MET 1 HG1 MET 1 189.040 -1.008 -8.383 9 1HE MET 1 HE1 MET 1 188.207 2.043 -10.267 10 2HE MET 1 HE2 MET 1 187.806 1.169 -11.745 11 3HE MET 1 HE3 MET 1 189.299 2.100 -11.650 12 H THR 2 HN THR 2 185.687 -3.603 -7.379 13 HA THR 2 HA THR 2 183.959 -4.515 -9.379 14 HB THR 2 HB THR 2 183.493 -5.592 -6.672 15 HG1 THR 2 HG1 THR 2 186.070 -5.684 -7.853 16 1HG2 THR 2 HG21 THR 2 183.107 -7.445 -7.805 17 2HG2 THR 2 HG22 THR 2 184.726 -7.405 -8.506 18 3HG2 THR 2 HG23 THR 2 183.401 -6.554 -9.297 19 H MET 3 HN MET 3 181.719 -5.511 -8.016 20 HA MET 3 HA MET 3 180.276 -3.322 -6.824 21 1HB MET 3 HB2 MET 3 180.107 -2.753 -9.210 22 2HB MET 3 HB1 MET 3 179.451 -4.348 -9.547 23 1HG MET 3 HG2 MET 3 177.493 -3.262 -9.412 24 2HG MET 3 HG1 MET 3 177.706 -3.535 -7.684 25 1HE MET 3 HE1 MET 3 178.315 -2.158 -6.081 26 2HE MET 3 HE2 MET 3 177.812 -0.469 -6.039 27 3HE MET 3 HE3 MET 3 179.490 -0.882 -6.395 28 H ASN 4 HN ASN 4 180.346 -5.086 -5.227 29 HA ASN 4 HA ASN 4 178.485 -7.279 -5.788 30 1HB ASN 4 HB2 ASN 4 180.911 -7.058 -4.272 31 2HB ASN 4 HB1 ASN 4 179.608 -7.565 -3.202 32 1HD2 ASN 4 HD21 ASN 4 180.027 -8.249 -6.635 33 2HD2 ASN 4 HD22 ASN 4 180.147 -9.963 -6.462 34 H ILE 5 HN ILE 5 176.641 -7.611 -4.636 35 HA ILE 5 HA ILE 5 175.997 -5.943 -2.349 36 HB ILE 5 HB ILE 5 174.116 -5.915 -4.704 37 1HG1 ILE 5 HG12 ILE 5 176.140 -3.808 -3.905 38 2HG1 ILE 5 HG11 ILE 5 176.180 -4.777 -5.374 39 1HG2 ILE 5 HG21 ILE 5 172.778 -4.571 -3.460 40 2HG2 ILE 5 HG22 ILE 5 174.130 -3.825 -2.608 41 3HG2 ILE 5 HG23 ILE 5 173.568 -5.430 -2.138 42 1HD1 ILE 5 HD11 ILE 5 174.510 -2.441 -4.686 43 2HD1 ILE 5 HD12 ILE 5 173.778 -3.696 -5.684 44 3HD1 ILE 5 HD13 ILE 5 175.256 -2.896 -6.217 45 H THR 6 HN THR 6 175.798 -7.804 -1.137 46 HA THR 6 HA THR 6 173.756 -9.741 -1.994 47 HB THR 6 HB THR 6 175.961 -10.053 0.050 48 HG1 THR 6 HG1 THR 6 175.683 -10.993 -2.607 49 1HG2 THR 6 HG21 THR 6 175.086 -12.553 -0.812 50 2HG2 THR 6 HG22 THR 6 173.623 -11.642 -0.437 51 3HG2 THR 6 HG23 THR 6 174.883 -11.833 0.783 52 H SER 7 HN SER 7 171.880 -8.863 -1.252 53 HA SER 7 HA SER 7 171.716 -7.965 1.520 54 1HB SER 7 HB2 SER 7 169.848 -7.791 -0.839 55 2HB SER 7 HB1 SER 7 169.323 -7.385 0.796 56 HG SER 7 HG SER 7 171.633 -6.239 -0.366 57 H LYS 8 HN LYS 8 170.273 -8.846 3.035 58 HA LYS 8 HA LYS 8 169.792 -11.681 2.679 59 1HB LYS 8 HB2 LYS 8 170.269 -9.934 4.888 60 2HB LYS 8 HB1 LYS 8 168.746 -10.765 5.161 61 1HG LYS 8 HG2 LYS 8 170.005 -12.909 4.621 62 2HG LYS 8 HG1 LYS 8 171.476 -11.947 4.784 63 1HD LYS 8 HD2 LYS 8 169.352 -12.345 6.893 64 2HD LYS 8 HD1 LYS 8 170.961 -13.071 6.879 65 1HE LYS 8 HE2 LYS 8 171.626 -11.314 8.080 66 2HE LYS 8 HE1 LYS 8 171.458 -10.364 6.605 67 1HZ LYS 8 HZ1 LYS 8 170.270 -9.504 8.635 68 2HZ LYS 8 HZ2 LYS 8 169.201 -10.805 8.470 69 3HZ LYS 8 HZ3 LYS 8 169.326 -9.654 7.238 70 H GLN 9 HN GLN 9 167.965 -12.466 1.912 71 HA GLN 9 HA GLN 9 165.768 -12.767 1.430 72 1HB GLN 9 HB2 GLN 9 164.970 -10.719 3.468 73 2HB GLN 9 HB1 GLN 9 164.162 -12.212 3.021 74 1HG GLN 9 HG2 GLN 9 165.418 -13.481 4.420 75 2HG GLN 9 HG1 GLN 9 166.837 -12.447 4.271 76 1HE2 GLN 9 HE21 GLN 9 166.040 -10.037 5.007 77 2HE2 GLN 9 HE22 GLN 9 165.441 -10.031 6.627 78 H MET 10 HN MET 10 165.715 -9.341 2.419 79 HA MET 10 HA MET 10 164.091 -8.521 0.281 80 1HB MET 10 HB2 MET 10 164.181 -7.166 2.244 81 2HB MET 10 HB1 MET 10 165.926 -6.990 2.123 82 1HG MET 10 HG2 MET 10 164.673 -4.965 1.475 83 2HG MET 10 HG1 MET 10 165.718 -5.587 0.199 84 1HE MET 10 HE1 MET 10 162.093 -4.700 1.272 85 2HE MET 10 HE2 MET 10 162.132 -6.440 1.562 86 3HE MET 10 HE3 MET 10 161.119 -5.783 0.276 87 H GLU 11 HN GLU 11 164.531 -8.207 -1.788 88 HA GLU 11 HA GLU 11 167.230 -8.424 -2.765 89 1HB GLU 11 HB2 GLU 11 164.780 -7.725 -4.380 90 2HB GLU 11 HB1 GLU 11 166.274 -8.454 -4.949 91 1HG GLU 11 HG2 GLU 11 164.626 -9.881 -2.917 92 2HG GLU 11 HG1 GLU 11 164.139 -9.902 -4.611 93 H ILE 12 HN ILE 12 168.090 -6.835 -4.361 94 HA ILE 12 HA ILE 12 168.002 -4.202 -3.215 95 HB ILE 12 HB ILE 12 169.392 -4.754 -5.803 96 1HG1 ILE 12 HG12 ILE 12 170.050 -6.702 -4.613 97 2HG1 ILE 12 HG11 ILE 12 171.366 -5.553 -4.405 98 1HG2 ILE 12 HG21 ILE 12 171.115 -3.398 -4.222 99 2HG2 ILE 12 HG22 ILE 12 169.569 -2.850 -3.571 100 3HG2 ILE 12 HG23 ILE 12 169.932 -2.635 -5.283 101 1HD1 ILE 12 HD11 ILE 12 171.135 -6.380 -2.285 102 2HD1 ILE 12 HD12 ILE 12 169.384 -6.541 -2.421 103 3HD1 ILE 12 HD13 ILE 12 170.109 -4.947 -2.205 104 H THR 13 HN THR 13 166.200 -3.060 -3.609 105 HA THR 13 HA THR 13 164.778 -3.179 -6.088 106 HB THR 13 HB THR 13 163.253 -1.653 -5.116 107 HG1 THR 13 HG1 THR 13 164.233 0.030 -4.305 108 1HG2 THR 13 HG21 THR 13 162.707 -2.518 -2.997 109 2HG2 THR 13 HG22 THR 13 164.373 -3.007 -2.685 110 3HG2 THR 13 HG23 THR 13 163.422 -3.849 -3.908 111 HA PRO 14 HA PRO 14 166.705 -0.167 -8.645 112 1HB PRO 14 HB2 PRO 14 164.513 1.499 -9.187 113 2HB PRO 14 HB1 PRO 14 164.993 0.074 -10.111 114 1HG PRO 14 HG2 PRO 14 162.908 0.353 -8.001 115 2HG PRO 14 HG1 PRO 14 162.902 -0.648 -9.463 116 1HD PRO 14 HD2 PRO 14 163.330 -1.721 -7.051 117 2HD PRO 14 HD1 PRO 14 164.207 -2.304 -8.482 118 H ALA 15 HN ALA 15 164.519 1.099 -6.163 119 HA ALA 15 HA ALA 15 165.619 3.715 -6.108 120 1HB ALA 15 HB1 ALA 15 164.514 3.639 -3.728 121 2HB ALA 15 HB2 ALA 15 163.805 2.145 -4.340 122 3HB ALA 15 HB3 ALA 15 163.519 3.666 -5.184 123 H ILE 16 HN ILE 16 166.163 0.813 -4.144 124 HA ILE 16 HA ILE 16 168.048 2.011 -2.394 125 HB ILE 16 HB ILE 16 167.761 -0.918 -3.069 126 1HG1 ILE 16 HG12 ILE 16 166.506 0.498 -0.725 127 2HG1 ILE 16 HG11 ILE 16 165.668 0.349 -2.267 128 1HG2 ILE 16 HG21 ILE 16 168.490 -0.638 -0.412 129 2HG2 ILE 16 HG22 ILE 16 169.471 0.559 -1.258 130 3HG2 ILE 16 HG23 ILE 16 169.534 -1.136 -1.742 131 1HD1 ILE 16 HD11 ILE 16 164.867 -1.546 -1.416 132 2HD1 ILE 16 HD12 ILE 16 166.115 -1.627 -0.172 133 3HD1 ILE 16 HD13 ILE 16 166.452 -2.219 -1.799 134 H ARG 17 HN ARG 17 168.420 -0.092 -5.244 135 HA ARG 17 HA ARG 17 171.205 -0.229 -5.231 136 1HB ARG 17 HB2 ARG 17 171.015 -1.301 -7.239 137 2HB ARG 17 HB1 ARG 17 169.344 -1.416 -6.712 138 1HG ARG 17 HG2 ARG 17 168.985 -0.672 -8.816 139 2HG ARG 17 HG1 ARG 17 169.183 0.892 -8.023 140 1HD ARG 17 HD2 ARG 17 170.512 0.888 -10.016 141 2HD ARG 17 HD1 ARG 17 171.597 0.820 -8.629 142 HE ARG 17 HE ARG 17 172.260 -1.284 -9.273 143 1HH1 ARG 17 HH11 ARG 17 169.462 -0.330 -11.132 144 2HH1 ARG 17 HH12 ARG 17 169.591 -1.655 -12.237 145 1HH2 ARG 17 HH21 ARG 17 172.426 -3.029 -10.725 146 2HH2 ARG 17 HH22 ARG 17 171.272 -3.189 -12.006 147 H GLN 18 HN GLN 18 169.054 2.278 -6.344 148 HA GLN 18 HA GLN 18 170.957 3.717 -7.889 149 1HB GLN 18 HB2 GLN 18 168.230 4.210 -6.832 150 2HB GLN 18 HB1 GLN 18 169.193 5.632 -7.207 151 1HG GLN 18 HG2 GLN 18 168.468 3.400 -9.087 152 2HG GLN 18 HG1 GLN 18 167.835 5.045 -9.100 153 1HE2 GLN 18 HE21 GLN 18 169.802 6.691 -9.027 154 2HE2 GLN 18 HE22 GLN 18 170.974 6.420 -10.269 155 H HIS 19 HN HIS 19 169.769 4.059 -4.559 156 HA HIS 19 HA HIS 19 171.210 6.338 -3.852 157 1HB HIS 19 HB2 HIS 19 169.600 4.396 -2.534 158 2HB HIS 19 HB1 HIS 19 171.075 4.591 -1.598 159 HD1 HIS 19 HD1 HIS 19 171.403 6.816 -0.362 160 HD2 HIS 19 HD2 HIS 19 167.969 6.691 -2.685 161 HE1 HIS 19 HE1 HIS 19 170.052 8.821 0.326 162 HE2 HIS 19 HE2 HIS 19 168.026 8.780 -1.167 163 H VAL 20 HN VAL 20 172.086 2.915 -3.387 164 HA VAL 20 HA VAL 20 174.629 3.394 -2.287 165 HB VAL 20 HB VAL 20 173.766 0.982 -3.892 166 1HG1 VAL 20 HG11 VAL 20 176.149 1.639 -2.279 167 2HG1 VAL 20 HG12 VAL 20 175.970 0.541 -3.649 168 3HG1 VAL 20 HG13 VAL 20 175.462 0.033 -2.038 169 1HG2 VAL 20 HG21 VAL 20 173.722 1.089 -0.911 170 2HG2 VAL 20 HG22 VAL 20 172.801 0.065 -2.013 171 3HG2 VAL 20 HG23 VAL 20 172.373 1.765 -1.822 172 H ALA 21 HN ALA 21 173.526 3.020 -5.614 173 HA ALA 21 HA ALA 21 176.057 2.875 -6.840 174 1HB ALA 21 HB1 ALA 21 174.936 3.273 -8.894 175 2HB ALA 21 HB2 ALA 21 173.583 4.060 -8.080 176 3HB ALA 21 HB3 ALA 21 173.837 2.324 -7.892 177 H ASP 22 HN ASP 22 173.987 5.605 -5.982 178 HA ASP 22 HA ASP 22 175.610 7.588 -7.216 179 1HB ASP 22 HB2 ASP 22 173.154 7.793 -6.532 180 2HB ASP 22 HB1 ASP 22 173.743 8.055 -4.894 181 H ARG 23 HN ARG 23 175.303 6.399 -3.887 182 HA ARG 23 HA ARG 23 177.161 8.150 -2.716 183 1HB ARG 23 HB2 ARG 23 175.493 6.629 -1.542 184 2HB ARG 23 HB1 ARG 23 176.636 5.319 -1.811 185 1HG ARG 23 HG2 ARG 23 178.095 7.436 -0.663 186 2HG ARG 23 HG1 ARG 23 176.597 7.287 0.258 187 1HD ARG 23 HD2 ARG 23 178.332 5.881 1.217 188 2HD ARG 23 HD1 ARG 23 177.027 4.894 0.562 189 HE ARG 23 HE ARG 23 179.193 5.307 -1.281 190 1HH1 ARG 23 HH11 ARG 23 178.017 3.338 1.349 191 2HH1 ARG 23 HH12 ARG 23 178.971 1.961 0.908 192 1HH2 ARG 23 HH21 ARG 23 180.447 3.498 -1.861 193 2HH2 ARG 23 HH22 ARG 23 180.351 2.052 -0.913 194 H LEU 24 HN LEU 24 177.550 4.898 -4.084 195 HA LEU 24 HA LEU 24 180.298 4.635 -3.499 196 1HB LEU 24 HB2 LEU 24 178.421 2.953 -4.428 197 2HB LEU 24 HB1 LEU 24 179.225 3.338 -5.938 198 HG LEU 24 HG LEU 24 181.267 2.746 -4.077 199 1HD1 LEU 24 HD11 LEU 24 180.710 0.842 -2.972 200 2HD1 LEU 24 HD12 LEU 24 179.511 0.361 -4.174 201 3HD1 LEU 24 HD13 LEU 24 179.123 1.612 -2.994 202 1HD2 LEU 24 HD21 LEU 24 181.788 0.975 -5.615 203 2HD2 LEU 24 HD22 LEU 24 181.253 2.384 -6.530 204 3HD2 LEU 24 HD23 LEU 24 180.159 1.022 -6.288 205 H ALA 25 HN ALA 25 178.553 6.128 -6.139 206 HA ALA 25 HA ALA 25 180.666 6.386 -7.972 207 1HB ALA 25 HB1 ALA 25 178.054 6.916 -8.106 208 2HB ALA 25 HB2 ALA 25 179.225 7.614 -9.223 209 3HB ALA 25 HB3 ALA 25 178.655 8.554 -7.845 210 H LYS 26 HN LYS 26 179.334 8.881 -5.793 211 HA LYS 26 HA LYS 26 181.378 10.749 -6.197 212 1HB LYS 26 HB2 LYS 26 179.841 10.469 -3.620 213 2HB LYS 26 HB1 LYS 26 180.489 11.935 -4.343 214 1HG LYS 26 HG2 LYS 26 178.866 11.522 -6.256 215 2HG LYS 26 HG1 LYS 26 178.102 10.335 -5.198 216 1HD LYS 26 HD2 LYS 26 178.498 13.265 -4.593 217 2HD LYS 26 HD1 LYS 26 176.976 12.494 -5.044 218 1HE LYS 26 HE2 LYS 26 178.562 12.184 -2.514 219 2HE LYS 26 HE1 LYS 26 176.884 12.689 -2.708 220 1HZ LYS 26 HZ1 LYS 26 176.678 10.522 -2.006 221 2HZ LYS 26 HZ2 LYS 26 178.035 9.985 -2.858 222 3HZ LYS 26 HZ3 LYS 26 176.599 10.328 -3.684 223 H LEU 27 HN LEU 27 181.179 7.957 -4.126 224 HA LEU 27 HA LEU 27 183.180 8.537 -2.274 225 1HB LEU 27 HB2 LEU 27 181.538 6.415 -2.751 226 2HB LEU 27 HB1 LEU 27 183.091 5.751 -3.225 227 HG LEU 27 HG LEU 27 182.582 7.040 -0.545 228 1HD1 LEU 27 HD11 LEU 27 181.163 5.062 -0.829 229 2HD1 LEU 27 HD12 LEU 27 182.433 4.795 0.364 230 3HD1 LEU 27 HD13 LEU 27 182.587 4.111 -1.254 231 1HD2 LEU 27 HD21 LEU 27 184.653 5.244 -0.325 232 2HD2 LEU 27 HD22 LEU 27 184.813 6.993 -0.484 233 3HD2 LEU 27 HD23 LEU 27 184.919 5.966 -1.912 234 H GLU 28 HN GLU 28 183.408 7.810 -5.636 235 HA GLU 28 HA GLU 28 185.989 6.738 -5.772 236 1HB GLU 28 HB2 GLU 28 184.275 8.283 -7.688 237 2HB GLU 28 HB1 GLU 28 185.941 7.904 -8.108 238 1HG GLU 28 HG2 GLU 28 185.435 5.806 -8.614 239 2HG GLU 28 HG1 GLU 28 184.538 5.581 -7.115 240 H LYS 29 HN LYS 29 184.926 9.917 -5.017 241 HA LYS 29 HA LYS 29 187.547 11.073 -5.593 242 1HB LYS 29 HB2 LYS 29 184.849 12.209 -4.970 243 2HB LYS 29 HB1 LYS 29 186.285 13.189 -4.704 244 1HG LYS 29 HG2 LYS 29 186.776 12.332 -7.200 245 2HG LYS 29 HG1 LYS 29 185.011 12.333 -7.216 246 1HD LYS 29 HD2 LYS 29 185.508 14.485 -7.908 247 2HD LYS 29 HD1 LYS 29 185.267 14.702 -6.175 248 1HE LYS 29 HE2 LYS 29 187.740 14.468 -5.887 249 2HE LYS 29 HE1 LYS 29 187.888 14.478 -7.643 250 1HZ LYS 29 HZ1 LYS 29 187.071 16.674 -7.747 251 2HZ LYS 29 HZ2 LYS 29 188.229 16.671 -6.515 252 3HZ LYS 29 HZ3 LYS 29 186.582 16.664 -6.128 253 H TRP 30 HN TRP 30 186.649 9.208 -3.247 254 HA TRP 30 HA TRP 30 187.460 10.909 -1.008 255 1HB TRP 30 HB2 TRP 30 185.858 8.475 -1.294 256 2HB TRP 30 HB1 TRP 30 187.011 8.387 0.031 257 HD1 TRP 30 HD1 TRP 30 183.696 9.849 -0.908 258 HE1 TRP 30 HE1 TRP 30 182.778 11.252 1.043 259 HE3 TRP 30 HE3 TRP 30 187.894 10.031 2.007 260 HZ2 TRP 30 HZ2 TRP 30 183.708 12.298 3.496 261 HZ3 TRP 30 HZ3 TRP 30 187.796 11.253 4.140 262 HH2 TRP 30 HH2 TRP 30 185.746 12.365 4.866 263 H GLN 31 HN GLN 31 189.249 9.841 -3.203 264 HA GLN 31 HA GLN 31 191.255 8.777 -3.484 265 1HB GLN 31 HB2 GLN 31 191.462 10.818 -1.695 266 2HB GLN 31 HB1 GLN 31 192.162 9.493 -0.777 267 1HG GLN 31 HG2 GLN 31 193.840 10.781 -2.017 268 2HG GLN 31 HG1 GLN 31 193.786 9.087 -2.504 269 1HE2 GLN 31 HE21 GLN 31 193.135 8.554 -4.554 270 2HE2 GLN 31 HE22 GLN 31 192.895 9.723 -5.804 271 H THR 32 HN THR 32 189.124 7.171 -2.032 272 HA THR 32 HA THR 32 190.785 5.409 -0.401 273 HB THR 32 HB THR 32 188.332 4.267 -0.323 274 HG1 THR 32 HG1 THR 32 187.475 5.931 -1.673 275 1HG2 THR 32 HG21 THR 32 188.954 6.684 1.342 276 2HG2 THR 32 HG22 THR 32 189.724 5.118 1.590 277 3HG2 THR 32 HG23 THR 32 187.977 5.281 1.773 278 H HIS 33 HN HIS 33 190.281 5.689 -3.574 279 HA HIS 33 HA HIS 33 190.459 4.330 -5.381 280 1HB HIS 33 HB2 HIS 33 191.584 2.446 -3.307 281 2HB HIS 33 HB1 HIS 33 191.673 2.181 -5.045 282 HD1 HIS 33 HD1 HIS 33 193.959 2.694 -5.811 283 HD2 HIS 33 HD2 HIS 33 192.687 5.351 -2.878 284 HE1 HIS 33 HE1 HIS 33 195.837 4.344 -5.539 285 HE2 HIS 33 HE2 HIS 33 195.077 5.896 -3.705 286 H LEU 34 HN LEU 34 189.514 2.070 -2.783 287 HA LEU 34 HA LEU 34 187.678 0.759 -2.507 288 1HB LEU 34 HB2 LEU 34 186.593 2.136 -4.969 289 2HB LEU 34 HB1 LEU 34 185.697 1.025 -3.955 290 HG LEU 34 HG LEU 34 184.972 3.148 -3.290 291 1HD1 LEU 34 HD11 LEU 34 186.172 1.519 -1.492 292 2HD1 LEU 34 HD12 LEU 34 185.280 2.982 -1.072 293 3HD1 LEU 34 HD13 LEU 34 187.038 3.028 -1.206 294 1HD2 LEU 34 HD21 LEU 34 186.289 5.059 -3.031 295 2HD2 LEU 34 HD22 LEU 34 186.940 4.271 -4.469 296 3HD2 LEU 34 HD23 LEU 34 187.778 4.124 -2.927 297 H ILE 35 HN ILE 35 188.353 -1.235 -2.796 298 HA ILE 35 HA ILE 35 188.835 -2.203 -5.533 299 HB ILE 35 HB ILE 35 189.637 -3.774 -3.120 300 1HG1 ILE 35 HG12 ILE 35 190.509 -1.576 -2.605 301 2HG1 ILE 35 HG11 ILE 35 191.837 -2.601 -3.137 302 1HG2 ILE 35 HG21 ILE 35 189.826 -4.257 -5.770 303 2HG2 ILE 35 HG22 ILE 35 190.911 -4.940 -4.561 304 3HG2 ILE 35 HG23 ILE 35 191.390 -3.504 -5.464 305 1HD1 ILE 35 HD11 ILE 35 190.588 -1.099 -5.301 306 2HD1 ILE 35 HD12 ILE 35 192.290 -1.289 -4.879 307 3HD1 ILE 35 HD13 ILE 35 191.304 -0.087 -4.047 308 H ASN 36 HN ASN 36 187.639 -3.528 -2.437 309 HA ASN 36 HA ASN 36 185.763 -5.188 -3.984 310 1HB ASN 36 HB2 ASN 36 187.522 -6.293 -2.489 311 2HB ASN 36 HB1 ASN 36 186.590 -5.680 -1.127 312 1HD2 ASN 36 HD21 ASN 36 185.964 -7.640 -0.349 313 2HD2 ASN 36 HD22 ASN 36 184.881 -8.697 -1.184 314 HA PRO 37 HA PRO 37 183.006 -2.273 -1.760 315 1HB PRO 37 HB2 PRO 37 181.352 -1.737 -3.789 316 2HB PRO 37 HB1 PRO 37 182.946 -0.980 -3.683 317 1HG PRO 37 HG2 PRO 37 182.058 -3.302 -5.348 318 2HG PRO 37 HG1 PRO 37 183.099 -1.938 -5.795 319 1HD PRO 37 HD2 PRO 37 184.027 -4.429 -5.073 320 2HD PRO 37 HD1 PRO 37 184.966 -2.931 -4.928 321 H HIS 38 HN HIS 38 182.200 -3.963 -0.443 322 HA HIS 38 HA HIS 38 180.091 -5.641 -1.598 323 1HB HIS 38 HB2 HIS 38 182.117 -6.149 0.290 324 2HB HIS 38 HB1 HIS 38 180.606 -6.170 1.193 325 HD1 HIS 38 HD1 HIS 38 182.730 -8.311 -0.732 326 HD2 HIS 38 HD2 HIS 38 178.627 -7.982 -0.159 327 HE1 HIS 38 HE1 HIS 38 181.770 -10.520 -1.454 328 HE2 HIS 38 HE2 HIS 38 179.278 -10.267 -1.179 329 H ILE 39 HN ILE 39 178.001 -5.261 -1.202 330 HA ILE 39 HA ILE 39 177.320 -3.410 0.989 331 HB ILE 39 HB ILE 39 175.832 -3.587 -1.627 332 1HG1 ILE 39 HG12 ILE 39 178.127 -2.738 -1.981 333 2HG1 ILE 39 HG11 ILE 39 176.911 -1.495 -2.262 334 1HG2 ILE 39 HG21 ILE 39 174.287 -2.414 -0.547 335 2HG2 ILE 39 HG22 ILE 39 175.460 -1.113 -0.341 336 3HG2 ILE 39 HG23 ILE 39 175.291 -2.354 0.901 337 1HD1 ILE 39 HD11 ILE 39 178.515 -0.366 -1.063 338 2HD1 ILE 39 HD12 ILE 39 178.878 -1.754 -0.036 339 3HD1 ILE 39 HD13 ILE 39 177.384 -0.846 0.201 340 H ILE 40 HN ILE 40 176.164 -4.384 2.495 341 HA ILE 40 HA ILE 40 174.358 -6.575 1.706 342 HB ILE 40 HB ILE 40 175.529 -6.162 4.452 343 1HG1 ILE 40 HG12 ILE 40 176.488 -8.107 2.346 344 2HG1 ILE 40 HG11 ILE 40 177.282 -6.573 2.693 345 1HG2 ILE 40 HG21 ILE 40 173.854 -7.597 4.890 346 2HG2 ILE 40 HG22 ILE 40 174.962 -8.794 4.222 347 3HG2 ILE 40 HG23 ILE 40 173.702 -8.096 3.206 348 1HD1 ILE 40 HD11 ILE 40 178.298 -8.588 3.771 349 2HD1 ILE 40 HD12 ILE 40 176.844 -8.707 4.760 350 3HD1 ILE 40 HD13 ILE 40 177.873 -7.279 4.873 351 H LEU 41 HN LEU 41 172.632 -5.100 1.288 352 HA LEU 41 HA LEU 41 171.600 -3.633 3.607 353 1HB LEU 41 HB2 LEU 41 171.670 -2.220 1.750 354 2HB LEU 41 HB1 LEU 41 171.129 -3.472 0.654 355 HG LEU 41 HG LEU 41 169.097 -2.883 2.637 356 1HD1 LEU 41 HD11 LEU 41 170.103 -0.668 2.659 357 2HD1 LEU 41 HD12 LEU 41 168.536 -0.637 1.848 358 3HD1 LEU 41 HD13 LEU 41 170.023 -0.600 0.899 359 1HD2 LEU 41 HD21 LEU 41 169.341 -3.017 -0.340 360 2HD2 LEU 41 HD22 LEU 41 167.886 -2.346 0.401 361 3HD2 LEU 41 HD23 LEU 41 168.369 -4.005 0.753 362 H SER 42 HN SER 42 170.529 -5.071 4.867 363 HA SER 42 HA SER 42 168.535 -6.800 3.571 364 1HB SER 42 HB2 SER 42 169.395 -7.128 6.428 365 2HB SER 42 HB1 SER 42 168.786 -8.341 5.302 366 HG SER 42 HG SER 42 170.970 -7.491 4.198 367 H LYS 43 HN LYS 43 166.488 -7.114 4.654 368 HA LYS 43 HA LYS 43 165.550 -4.626 5.896 369 1HB LYS 43 HB2 LYS 43 164.362 -5.199 3.878 370 2HB LYS 43 HB1 LYS 43 164.081 -6.836 4.452 371 1HG LYS 43 HG2 LYS 43 162.444 -6.169 5.949 372 2HG LYS 43 HG1 LYS 43 163.010 -4.498 5.976 373 1HD LYS 43 HD2 LYS 43 161.870 -3.942 4.097 374 2HD LYS 43 HD1 LYS 43 162.098 -5.530 3.363 375 1HE LYS 43 HE2 LYS 43 160.414 -6.440 4.943 376 2HE LYS 43 HE1 LYS 43 160.135 -4.801 5.531 377 1HZ LYS 43 HZ1 LYS 43 159.379 -6.015 2.978 378 2HZ LYS 43 HZ2 LYS 43 159.757 -4.367 2.983 379 3HZ LYS 43 HZ3 LYS 43 158.510 -4.951 3.966 380 H GLU 44 HN GLU 44 165.652 -4.745 8.054 381 HA GLU 44 HA GLU 44 164.934 -7.267 9.362 382 1HB GLU 44 HB2 GLU 44 166.838 -5.156 9.933 383 2HB GLU 44 HB1 GLU 44 165.809 -5.478 11.322 384 1HG GLU 44 HG2 GLU 44 166.385 -7.955 10.874 385 2HG GLU 44 HG1 GLU 44 167.717 -7.302 9.921 386 HA PRO 45 HA PRO 45 160.882 -6.165 10.672 387 1HB PRO 45 HB2 PRO 45 161.545 -6.583 13.458 388 2HB PRO 45 HB1 PRO 45 160.550 -7.576 12.404 389 1HG PRO 45 HG2 PRO 45 163.347 -7.919 13.181 390 2HG PRO 45 HG1 PRO 45 162.235 -9.091 12.459 391 1HD PRO 45 HD2 PRO 45 164.343 -8.030 11.118 392 2HD PRO 45 HD1 PRO 45 162.840 -8.526 10.313 393 H GLN 46 HN GLN 46 163.330 -5.124 13.041 394 HA GLN 46 HA GLN 46 161.860 -2.618 13.374 395 1HB GLN 46 HB2 GLN 46 162.698 -4.287 15.253 396 2HB GLN 46 HB1 GLN 46 164.172 -3.338 15.102 397 1HG GLN 46 HG2 GLN 46 163.290 -1.832 16.457 398 2HG GLN 46 HG1 GLN 46 162.077 -1.482 15.227 399 1HE2 GLN 46 HE21 GLN 46 160.231 -3.119 15.207 400 2HE2 GLN 46 HE22 GLN 46 159.582 -3.546 16.749 401 H GLY 47 HN GLY 47 163.151 -2.552 10.999 402 1HA GLY 47 HA2 GLY 47 164.325 -0.442 10.383 403 2HA GLY 47 HA1 GLY 47 165.523 -0.884 11.580 404 H PHE 48 HN PHE 48 166.096 -0.252 8.927 405 HA PHE 48 HA PHE 48 166.621 -2.704 7.477 406 1HB PHE 48 HB2 PHE 48 166.672 0.168 6.916 407 2HB PHE 48 HB1 PHE 48 168.065 -0.668 6.251 408 HD1 PHE 48 HD1 PHE 48 164.908 -2.467 6.556 409 HD2 PHE 48 HD2 PHE 48 167.342 -0.074 4.012 410 HE1 PHE 48 HE1 PHE 48 163.564 -3.159 4.617 411 HE2 PHE 48 HE2 PHE 48 166.000 -0.763 2.072 412 HZ PHE 48 HZ PHE 48 164.107 -2.312 2.374 413 H VAL 49 HN VAL 49 168.592 -3.699 7.309 414 HA VAL 49 HA VAL 49 170.695 -2.709 9.109 415 HB VAL 49 HB VAL 49 170.501 -5.483 7.941 416 1HG1 VAL 49 HG11 VAL 49 172.308 -6.007 9.175 417 2HG1 VAL 49 HG12 VAL 49 171.801 -5.000 10.532 418 3HG1 VAL 49 HG13 VAL 49 172.604 -4.269 9.142 419 1HG2 VAL 49 HG21 VAL 49 168.621 -5.612 9.198 420 2HG2 VAL 49 HG22 VAL 49 169.089 -4.260 10.231 421 3HG2 VAL 49 HG23 VAL 49 169.789 -5.857 10.496 422 H ALA 50 HN ALA 50 171.489 -1.199 7.561 423 HA ALA 50 HA ALA 50 172.469 -2.100 5.013 424 1HB ALA 50 HB1 ALA 50 171.623 0.232 5.546 425 2HB ALA 50 HB2 ALA 50 173.127 0.132 4.630 426 3HB ALA 50 HB3 ALA 50 173.167 0.498 6.355 427 H ASP 51 HN ASP 51 173.991 -3.697 5.365 428 HA ASP 51 HA ASP 51 176.352 -2.982 6.957 429 1HB ASP 51 HB2 ASP 51 174.914 -5.451 6.471 430 2HB ASP 51 HB1 ASP 51 176.624 -5.632 6.091 431 H ALA 52 HN ALA 52 177.455 -1.669 5.529 432 HA ALA 52 HA ALA 52 178.176 -2.803 2.920 433 1HB ALA 52 HB1 ALA 52 177.505 -0.690 2.424 434 2HB ALA 52 HB2 ALA 52 179.202 -0.355 2.769 435 3HB ALA 52 HB3 ALA 52 177.975 -0.050 3.999 436 H THR 53 HN THR 53 180.212 -3.384 2.422 437 HA THR 53 HA THR 53 182.340 -2.776 4.359 438 HB THR 53 HB THR 53 182.916 -5.279 3.139 439 HG1 THR 53 HG1 THR 53 181.129 -6.373 3.238 440 1HG2 THR 53 HG21 THR 53 182.833 -6.158 5.394 441 2HG2 THR 53 HG22 THR 53 182.026 -4.692 5.952 442 3HG2 THR 53 HG23 THR 53 183.684 -4.614 5.354 443 H ILE 54 HN ILE 54 183.477 -1.302 3.226 444 HA ILE 54 HA ILE 54 184.216 -1.955 0.453 445 HB ILE 54 HB ILE 54 184.920 0.727 1.440 446 1HG1 ILE 54 HG12 ILE 54 182.012 -0.044 1.087 447 2HG1 ILE 54 HG11 ILE 54 182.772 0.450 2.596 448 1HG2 ILE 54 HG21 ILE 54 184.139 1.387 -0.741 449 2HG2 ILE 54 HG22 ILE 54 183.397 -0.191 -0.993 450 3HG2 ILE 54 HG23 ILE 54 185.152 -0.048 -0.895 451 1HD1 ILE 54 HD11 ILE 54 183.197 2.419 0.541 452 2HD1 ILE 54 HD12 ILE 54 182.453 2.589 2.131 453 3HD1 ILE 54 HD13 ILE 54 181.481 2.074 0.752 454 H ASN 55 HN ASN 55 186.311 -2.235 -0.121 455 HA ASN 55 HA ASN 55 188.263 -2.275 2.060 456 1HB ASN 55 HB2 ASN 55 187.714 -4.017 -0.108 457 2HB ASN 55 HB1 ASN 55 189.322 -3.350 -0.378 458 1HD2 ASN 55 HD21 ASN 55 190.097 -3.017 2.289 459 2HD2 ASN 55 HD22 ASN 55 190.306 -4.578 2.995 460 H THR 56 HN THR 56 188.862 -0.125 2.197 461 HA THR 56 HA THR 56 189.937 1.198 -0.175 462 HB THR 56 HB THR 56 189.868 3.205 1.053 463 HG1 THR 56 HG1 THR 56 189.823 1.570 3.360 464 1HG2 THR 56 HG21 THR 56 187.611 2.559 0.633 465 2HG2 THR 56 HG22 THR 56 187.699 3.260 2.248 466 3HG2 THR 56 HG23 THR 56 187.596 1.511 2.050 467 HA PRO 57 HA PRO 57 194.189 0.401 0.734 468 1HB PRO 57 HB2 PRO 57 195.369 2.849 0.375 469 2HB PRO 57 HB1 PRO 57 194.883 1.786 -0.949 470 1HG PRO 57 HG2 PRO 57 193.465 4.155 0.200 471 2HG PRO 57 HG1 PRO 57 193.659 3.678 -1.497 472 1HD PRO 57 HD2 PRO 57 191.375 3.237 -0.151 473 2HD PRO 57 HD1 PRO 57 191.970 2.103 -1.379 474 H ASN 58 HN ASN 58 192.533 2.928 2.447 475 HA ASN 58 HA ASN 58 194.591 3.027 4.519 476 1HB ASN 58 HB2 ASN 58 192.014 4.586 4.530 477 2HB ASN 58 HB1 ASN 58 193.528 4.967 5.343 478 1HD2 ASN 58 HD21 ASN 58 195.363 5.517 3.965 479 2HD2 ASN 58 HD22 ASN 58 195.069 6.356 2.484 480 H GLY 59 HN GLY 59 192.530 0.787 3.913 481 1HA GLY 59 HA2 GLY 59 192.209 -0.743 5.882 482 2HA GLY 59 HA1 GLY 59 191.423 0.629 6.649 483 H VAL 60 HN VAL 60 189.701 -1.073 6.847 484 HA VAL 60 HA VAL 60 188.122 -1.311 4.378 485 HB VAL 60 HB VAL 60 188.645 -3.132 6.579 486 1HG1 VAL 60 HG11 VAL 60 185.756 -2.666 5.853 487 2HG1 VAL 60 HG12 VAL 60 186.494 -2.518 7.448 488 3HG1 VAL 60 HG13 VAL 60 186.358 -4.103 6.683 489 1HG2 VAL 60 HG21 VAL 60 189.064 -4.094 4.571 490 2HG2 VAL 60 HG22 VAL 60 187.771 -3.217 3.754 491 3HG2 VAL 60 HG23 VAL 60 187.390 -4.616 4.757 492 H LEU 61 HN LEU 61 186.347 -0.125 4.161 493 HA LEU 61 HA LEU 61 185.372 1.410 6.432 494 1HB LEU 61 HB2 LEU 61 185.031 1.542 3.472 495 2HB LEU 61 HB1 LEU 61 183.780 2.240 4.475 496 HG LEU 61 HG LEU 61 186.368 3.310 3.739 497 1HD1 LEU 61 HD11 LEU 61 184.562 4.672 3.315 498 2HD1 LEU 61 HD12 LEU 61 185.197 5.363 4.808 499 3HD1 LEU 61 HD13 LEU 61 183.786 4.306 4.855 500 1HD2 LEU 61 HD21 LEU 61 187.068 2.544 5.951 501 2HD2 LEU 61 HD22 LEU 61 185.690 3.372 6.676 502 3HD2 LEU 61 HD23 LEU 61 186.963 4.303 5.886 503 H VAL 62 HN VAL 62 184.191 0.088 7.721 504 HA VAL 62 HA VAL 62 182.126 -1.599 6.540 505 HB VAL 62 HB VAL 62 183.512 -2.559 8.318 506 1HG1 VAL 62 HG11 VAL 62 183.669 -1.747 10.472 507 2HG1 VAL 62 HG12 VAL 62 182.180 -0.812 10.341 508 3HG1 VAL 62 HG13 VAL 62 183.643 -0.259 9.527 509 1HG2 VAL 62 HG21 VAL 62 181.209 -3.345 7.969 510 2HG2 VAL 62 HG22 VAL 62 180.645 -2.191 9.178 511 3HG2 VAL 62 HG23 VAL 62 181.721 -3.507 9.648 512 H ALA 63 HN ALA 63 180.428 -0.360 5.923 513 HA ALA 63 HA ALA 63 179.428 1.724 7.696 514 1HB ALA 63 HB1 ALA 63 177.783 1.401 5.404 515 2HB ALA 63 HB2 ALA 63 179.468 1.322 4.896 516 3HB ALA 63 HB3 ALA 63 178.884 2.721 5.796 517 H SER 64 HN SER 64 178.125 1.087 9.288 518 HA SER 64 HA SER 64 176.166 -1.039 8.737 519 1HB SER 64 HB2 SER 64 176.735 -0.138 11.523 520 2HB SER 64 HB1 SER 64 176.315 -1.741 10.917 521 HG SER 64 HG SER 64 178.810 -0.421 10.607 522 H GLY 65 HN GLY 65 174.315 -0.110 8.092 523 1HA GLY 65 HA2 GLY 65 173.403 2.340 9.428 524 2HA GLY 65 HA1 GLY 65 172.781 1.701 7.913 525 H LYS 66 HN LYS 66 171.261 2.545 10.217 526 HA LYS 66 HA LYS 66 169.686 0.130 10.562 527 1HB LYS 66 HB2 LYS 66 170.966 1.612 12.846 528 2HB LYS 66 HB1 LYS 66 169.518 0.641 13.068 529 1HG LYS 66 HG2 LYS 66 171.023 -1.171 11.834 530 2HG LYS 66 HG1 LYS 66 172.307 -0.195 12.550 531 1HD LYS 66 HD2 LYS 66 169.982 -1.379 14.065 532 2HD LYS 66 HD1 LYS 66 171.606 -2.069 14.000 533 1HE LYS 66 HE2 LYS 66 171.463 0.766 14.783 534 2HE LYS 66 HE1 LYS 66 170.741 -0.368 15.922 535 1HZ LYS 66 HZ1 LYS 66 173.484 -0.668 14.837 536 2HZ LYS 66 HZ2 LYS 66 172.785 -1.531 16.112 537 3HZ LYS 66 HZ3 LYS 66 173.140 0.111 16.299 538 H HIS 67 HN HIS 67 167.826 0.874 9.702 539 HA HIS 67 HA HIS 67 166.231 2.715 11.127 540 1HB HIS 67 HB2 HIS 67 168.074 4.115 9.766 541 2HB HIS 67 HB1 HIS 67 166.852 3.962 8.507 542 HD1 HIS 67 HD1 HIS 67 167.571 5.673 11.721 543 HD2 HIS 67 HD2 HIS 67 164.410 5.299 9.049 544 HE1 HIS 67 HE1 HIS 67 165.933 7.470 12.361 545 HE2 HIS 67 HE2 HIS 67 163.989 7.167 10.786 546 H GLU 68 HN GLU 68 164.183 2.219 10.712 547 HA GLU 68 HA GLU 68 163.294 0.253 9.056 548 1HB GLU 68 HB2 GLU 68 161.053 1.575 9.090 549 2HB GLU 68 HB1 GLU 68 161.719 0.961 10.596 550 1HG GLU 68 HG2 GLU 68 162.609 3.659 9.904 551 2HG GLU 68 HG1 GLU 68 160.874 3.509 10.174 552 H ASP 69 HN ASP 69 163.783 3.627 8.188 553 HA ASP 69 HA ASP 69 162.588 3.332 5.592 554 1HB ASP 69 HB2 ASP 69 163.776 5.499 7.168 555 2HB ASP 69 HB1 ASP 69 164.132 5.606 5.445 556 H MET 70 HN MET 70 163.552 2.942 3.674 557 HA MET 70 HA MET 70 166.034 1.606 3.642 558 1HB MET 70 HB2 MET 70 165.202 0.867 1.710 559 2HB MET 70 HB1 MET 70 163.850 1.966 1.895 560 1HG MET 70 HG2 MET 70 165.313 3.704 0.755 561 2HG MET 70 HG1 MET 70 166.381 2.369 0.336 562 1HE MET 70 HE1 MET 70 164.503 0.096 0.066 563 2HE MET 70 HE2 MET 70 163.539 0.098 -1.409 564 3HE MET 70 HE3 MET 70 162.843 0.689 0.100 565 H TYR 71 HN TYR 71 165.082 4.784 2.382 566 HA TYR 71 HA TYR 71 167.672 5.528 1.536 567 1HB TYR 71 HB2 TYR 71 165.130 7.027 2.039 568 2HB TYR 71 HB1 TYR 71 166.617 7.912 1.729 569 HD1 TYR 71 HD1 TYR 71 165.025 8.724 -0.197 570 HD2 TYR 71 HD2 TYR 71 166.714 4.825 0.014 571 HE1 TYR 71 HE1 TYR 71 164.682 8.447 -2.615 572 HE2 TYR 71 HE2 TYR 71 166.381 4.539 -2.396 573 HH TYR 71 HH TYR 71 164.484 6.717 -4.263 574 H THR 72 HN THR 72 165.855 6.259 4.509 575 HA THR 72 HA THR 72 167.735 7.931 5.710 576 HB THR 72 HB THR 72 166.145 5.934 7.295 577 HG1 THR 72 HG1 THR 72 164.382 7.396 7.094 578 1HG2 THR 72 HG21 THR 72 166.895 7.206 8.951 579 2HG2 THR 72 HG22 THR 72 165.768 8.430 8.364 580 3HG2 THR 72 HG23 THR 72 167.455 8.462 7.847 581 H ALA 73 HN ALA 73 167.607 4.453 5.412 582 HA ALA 73 HA ALA 73 169.641 3.840 7.292 583 1HB ALA 73 HB1 ALA 73 169.435 1.665 6.594 584 2HB ALA 73 HB2 ALA 73 169.196 2.113 4.904 585 3HB ALA 73 HB3 ALA 73 167.882 2.309 6.064 586 H ILE 74 HN ILE 74 169.620 4.567 3.843 587 HA ILE 74 HA ILE 74 172.309 3.968 3.281 588 HB ILE 74 HB ILE 74 171.082 6.327 1.928 589 1HG1 ILE 74 HG12 ILE 74 169.215 4.679 2.212 590 2HG1 ILE 74 HG11 ILE 74 169.640 4.999 0.540 591 1HG2 ILE 74 HG21 ILE 74 172.006 4.976 -0.059 592 2HG2 ILE 74 HG22 ILE 74 172.831 4.023 1.172 593 3HG2 ILE 74 HG23 ILE 74 173.141 5.752 1.041 594 1HD1 ILE 74 HD11 ILE 74 169.704 2.806 0.272 595 2HD1 ILE 74 HD12 ILE 74 169.653 2.516 2.012 596 3HD1 ILE 74 HD13 ILE 74 171.196 2.819 1.214 597 H ASN 75 HN ASN 75 170.821 7.125 4.007 598 HA ASN 75 HA ASN 75 173.103 8.669 4.100 599 1HB ASN 75 HB2 ASN 75 170.652 8.940 5.851 600 2HB ASN 75 HB1 ASN 75 171.838 10.204 5.544 601 1HD2 ASN 75 HD21 ASN 75 169.093 8.526 4.372 602 2HD2 ASN 75 HD22 ASN 75 168.875 9.439 2.922 603 H GLU 76 HN GLU 76 171.548 6.997 6.845 604 HA GLU 76 HA GLU 76 173.390 7.705 8.806 605 1HB GLU 76 HB2 GLU 76 171.629 5.287 8.470 606 2HB GLU 76 HB1 GLU 76 172.676 5.471 9.869 607 1HG GLU 76 HG2 GLU 76 170.846 7.703 9.160 608 2HG GLU 76 HG1 GLU 76 170.174 6.258 9.915 609 H LEU 77 HN LEU 77 173.463 5.098 6.453 610 HA LEU 77 HA LEU 77 175.700 3.715 7.444 611 1HB LEU 77 HB2 LEU 77 174.626 2.427 5.921 612 2HB LEU 77 HB1 LEU 77 174.126 3.796 4.954 613 HG LEU 77 HG LEU 77 177.002 3.089 4.837 614 1HD1 LEU 77 HD11 LEU 77 176.630 1.290 3.251 615 2HD1 LEU 77 HD12 LEU 77 174.886 1.419 3.486 616 3HD1 LEU 77 HD13 LEU 77 175.919 0.887 4.814 617 1HD2 LEU 77 HD21 LEU 77 176.707 4.666 3.274 618 2HD2 LEU 77 HD22 LEU 77 174.962 4.416 3.216 619 3HD2 LEU 77 HD23 LEU 77 176.035 3.361 2.298 620 H ILE 78 HN ILE 78 175.502 6.045 4.746 621 HA ILE 78 HA ILE 78 178.271 6.203 4.302 622 HB ILE 78 HB ILE 78 176.661 6.927 2.633 623 1HG1 ILE 78 HG12 ILE 78 179.036 7.946 2.879 624 2HG1 ILE 78 HG11 ILE 78 177.901 8.702 1.767 625 1HG2 ILE 78 HG21 ILE 78 176.018 9.149 4.561 626 2HG2 ILE 78 HG22 ILE 78 174.944 7.853 4.032 627 3HG2 ILE 78 HG23 ILE 78 175.475 9.083 2.885 628 1HD1 ILE 78 HD11 ILE 78 177.671 9.878 4.379 629 2HD1 ILE 78 HD12 ILE 78 178.071 10.631 2.837 630 3HD1 ILE 78 HD13 ILE 78 179.344 9.912 3.824 631 H ASN 79 HN ASN 79 176.128 8.100 6.376 632 HA ASN 79 HA ASN 79 177.831 10.180 7.050 633 1HB ASN 79 HB2 ASN 79 175.600 8.807 8.505 634 2HB ASN 79 HB1 ASN 79 176.538 10.055 9.317 635 1HD2 ASN 79 HD21 ASN 79 173.763 10.140 8.670 636 2HD2 ASN 79 HD22 ASN 79 173.525 11.473 7.596 637 H LYS 80 HN LYS 80 177.333 7.199 8.956 638 HA LYS 80 HA LYS 80 179.337 7.650 10.817 639 1HB LYS 80 HB2 LYS 80 178.645 5.694 11.653 640 2HB LYS 80 HB1 LYS 80 177.488 5.659 10.336 641 1HG LYS 80 HG2 LYS 80 178.473 3.566 10.259 642 2HG LYS 80 HG1 LYS 80 179.341 4.462 9.014 643 1HD LYS 80 HD2 LYS 80 181.284 4.511 10.212 644 2HD LYS 80 HD1 LYS 80 180.448 4.510 11.767 645 1HE LYS 80 HE2 LYS 80 179.760 2.071 10.815 646 2HE LYS 80 HE1 LYS 80 181.360 2.265 10.100 647 1HZ LYS 80 HZ1 LYS 80 181.899 1.353 12.101 648 2HZ LYS 80 HZ2 LYS 80 180.600 2.058 12.921 649 3HZ LYS 80 HZ3 LYS 80 181.956 2.989 12.526 650 H LEU 81 HN LEU 81 179.552 6.013 7.673 651 HA LEU 81 HA LEU 81 182.287 5.291 7.949 652 1HB LEU 81 HB2 LEU 81 180.277 5.308 5.780 653 2HB LEU 81 HB1 LEU 81 181.951 5.390 5.267 654 HG LEU 81 HG LEU 81 180.572 3.184 6.773 655 1HD1 LEU 81 HD11 LEU 81 181.577 1.836 4.940 656 2HD1 LEU 81 HD12 LEU 81 182.134 3.338 4.202 657 3HD1 LEU 81 HD13 LEU 81 180.407 3.033 4.389 658 1HD2 LEU 81 HD21 LEU 81 182.461 3.010 7.989 659 2HD2 LEU 81 HD22 LEU 81 183.407 3.978 6.857 660 3HD2 LEU 81 HD23 LEU 81 183.100 2.277 6.519 661 H GLU 82 HN GLU 82 180.629 8.162 6.858 662 HA GLU 82 HA GLU 82 182.671 9.400 5.417 663 1HB GLU 82 HB2 GLU 82 180.165 10.083 5.866 664 2HB GLU 82 HB1 GLU 82 180.878 11.031 7.166 665 1HG GLU 82 HG2 GLU 82 182.391 12.059 5.450 666 2HG GLU 82 HG1 GLU 82 181.418 11.254 4.219 667 H ARG 83 HN ARG 83 181.781 10.054 8.822 668 HA ARG 83 HA ARG 83 184.027 11.610 9.402 669 1HB ARG 83 HB2 ARG 83 183.520 11.153 11.777 670 2HB ARG 83 HB1 ARG 83 182.098 11.621 10.861 671 1HG ARG 83 HG2 ARG 83 181.205 9.880 11.989 672 2HG ARG 83 HG1 ARG 83 181.863 8.986 10.618 673 1HD ARG 83 HD2 ARG 83 182.315 8.113 13.002 674 2HD ARG 83 HD1 ARG 83 183.647 8.160 11.853 675 HE ARG 83 HE ARG 83 183.344 10.450 13.625 676 1HH1 ARG 83 HH11 ARG 83 185.008 7.458 12.918 677 2HH1 ARG 83 HH12 ARG 83 186.370 7.840 13.915 678 1HH2 ARG 83 HH21 ARG 83 185.140 10.946 14.933 679 2HH2 ARG 83 HH22 ARG 83 186.445 9.815 15.057 680 H GLN 84 HN GLN 84 183.535 8.129 9.548 681 HA GLN 84 HA GLN 84 185.915 7.470 10.905 682 1HB GLN 84 HB2 GLN 84 183.865 5.993 10.341 683 2HB GLN 84 HB1 GLN 84 184.673 5.713 8.804 684 1HG GLN 84 HG2 GLN 84 186.290 4.425 9.725 685 2HG GLN 84 HG1 GLN 84 186.275 5.302 11.255 686 1HE2 GLN 84 HE21 GLN 84 183.571 3.828 9.542 687 2HE2 GLN 84 HE22 GLN 84 183.175 2.690 10.778 688 H LEU 85 HN LEU 85 185.182 7.314 7.418 689 HA LEU 85 HA LEU 85 187.662 6.652 6.450 690 1HB LEU 85 HB2 LEU 85 185.297 7.306 5.323 691 2HB LEU 85 HB1 LEU 85 186.226 8.739 4.925 692 HG LEU 85 HG LEU 85 187.218 5.970 4.286 693 1HD1 LEU 85 HD11 LEU 85 186.033 7.586 2.130 694 2HD1 LEU 85 HD12 LEU 85 184.893 6.874 3.273 695 3HD1 LEU 85 HD13 LEU 85 186.016 5.843 2.386 696 1HD2 LEU 85 HD21 LEU 85 188.984 7.020 3.443 697 2HD2 LEU 85 HD22 LEU 85 188.372 8.518 4.143 698 3HD2 LEU 85 HD23 LEU 85 187.957 8.086 2.485 699 H ASN 86 HN ASN 86 186.565 9.750 7.639 700 HA ASN 86 HA ASN 86 188.656 11.339 6.605 701 1HB ASN 86 HB2 ASN 86 186.636 11.637 8.780 702 2HB ASN 86 HB1 ASN 86 188.005 12.745 8.765 703 1HD2 ASN 86 HD21 ASN 86 184.921 12.362 7.779 704 2HD2 ASN 86 HD22 ASN 86 184.901 13.441 6.429 705 H LYS 87 HN LYS 87 188.206 10.113 9.933 706 HA LYS 87 HA LYS 87 190.870 10.777 10.693 707 1HB LYS 87 HB2 LYS 87 190.358 9.851 12.803 708 2HB LYS 87 HB1 LYS 87 188.861 10.570 12.230 709 1HG LYS 87 HG2 LYS 87 188.114 8.567 13.050 710 2HG LYS 87 HG1 LYS 87 188.371 8.163 11.350 711 1HD LYS 87 HD2 LYS 87 189.985 6.691 11.841 712 2HD LYS 87 HD1 LYS 87 190.764 7.800 12.972 713 1HE LYS 87 HE2 LYS 87 189.310 7.145 14.738 714 2HE LYS 87 HE1 LYS 87 188.270 6.248 13.632 715 1HZ LYS 87 HZ1 LYS 87 191.041 5.410 13.660 716 2HZ LYS 87 HZ2 LYS 87 189.629 4.481 13.662 717 3HZ LYS 87 HZ3 LYS 87 190.205 5.141 15.107 718 H LEU 88 HN LEU 88 189.293 7.805 9.629 719 HA LEU 88 HA LEU 88 191.388 6.029 10.204 720 1HB LEU 88 HB2 LEU 88 188.866 5.775 9.216 721 2HB LEU 88 HB1 LEU 88 189.817 5.462 7.777 722 HG LEU 88 HG LEU 88 189.227 3.394 8.950 723 1HD1 LEU 88 HD11 LEU 88 192.110 3.473 9.484 724 2HD1 LEU 88 HD12 LEU 88 191.636 4.040 7.882 725 3HD1 LEU 88 HD13 LEU 88 191.176 2.424 8.417 726 1HD2 LEU 88 HD21 LEU 88 191.082 3.893 11.179 727 2HD2 LEU 88 HD22 LEU 88 189.548 3.023 11.148 728 3HD2 LEU 88 HD23 LEU 88 189.562 4.784 11.244 729 H GLN 89 HN GLN 89 190.739 8.044 7.382 730 HA GLN 89 HA GLN 89 192.847 6.971 5.795 731 1HB GLN 89 HB2 GLN 89 190.933 8.126 4.790 732 2HB GLN 89 HB1 GLN 89 191.405 9.622 5.585 733 1HG GLN 89 HG2 GLN 89 192.875 10.119 3.998 734 2HG GLN 89 HG1 GLN 89 193.564 8.496 4.016 735 1HE2 GLN 89 HE21 GLN 89 193.742 8.374 1.799 736 2HE2 GLN 89 HE22 GLN 89 192.372 8.221 0.757 737 H HIS 90 HN HIS 90 192.567 9.692 8.015 738 HA HIS 90 HA HIS 90 195.110 10.817 7.421 739 1HB HIS 90 HB2 HIS 90 193.141 11.145 9.665 740 2HB HIS 90 HB1 HIS 90 194.733 11.891 9.759 741 HD1 HIS 90 HD1 HIS 90 194.004 12.063 6.333 742 HD2 HIS 90 HD2 HIS 90 192.595 14.113 9.662 743 HE1 HIS 90 HE1 HIS 90 193.022 14.199 5.440 744 HE2 HIS 90 HE2 HIS 90 192.253 15.461 7.481 745 H LYS 91 HN LYS 91 196.528 9.015 7.457 746 HA LYS 91 HA LYS 91 197.945 8.675 9.847 747 1HB LYS 91 HB2 LYS 91 196.021 7.334 10.548 748 2HB LYS 91 HB1 LYS 91 196.178 6.334 9.112 749 1HG LYS 91 HG2 LYS 91 197.680 5.031 10.093 750 2HG LYS 91 HG1 LYS 91 198.659 6.418 10.574 751 1HD LYS 91 HD2 LYS 91 198.102 5.573 12.632 752 2HD LYS 91 HD1 LYS 91 196.770 6.705 12.386 753 1HE LYS 91 HE2 LYS 91 195.329 5.032 12.613 754 2HE LYS 91 HE1 LYS 91 196.018 4.262 11.185 755 1HZ LYS 91 HZ1 LYS 91 197.569 3.890 13.586 756 2HZ LYS 91 HZ2 LYS 91 197.089 2.761 12.422 757 3HZ LYS 91 HZ3 LYS 91 196.025 3.204 13.659 758 H GLY 92 HN GLY 92 197.004 6.699 7.026 759 1HA GLY 92 HA2 GLY 92 199.418 7.032 5.643 760 2HA GLY 92 HA1 GLY 92 199.550 5.572 6.612 761 H GLU 93 HN GLU 93 198.394 3.751 6.043 762 HA GLU 93 HA GLU 93 196.352 3.783 4.063 763 1HB GLU 93 HB2 GLU 93 197.841 2.219 2.528 764 2HB GLU 93 HB1 GLU 93 197.836 3.966 2.331 765 1HG GLU 93 HG2 GLU 93 199.987 4.142 2.875 766 2HG GLU 93 HG1 GLU 93 199.816 3.058 4.256 767 H ALA 94 HN ALA 94 198.584 1.103 4.007 768 HA ALA 94 HA ALA 94 197.651 -0.349 6.210 769 1HB ALA 94 HB1 ALA 94 195.953 -1.708 5.421 770 2HB ALA 94 HB2 ALA 94 196.349 -1.397 3.731 771 3HB ALA 94 HB3 ALA 94 195.552 -0.153 4.693 772 H ARG 95 HN ARG 95 198.094 -2.770 5.919 773 HA ARG 95 HA ARG 95 200.109 -3.333 3.885 774 1HB ARG 95 HB2 ARG 95 201.632 -4.280 5.647 775 2HB ARG 95 HB1 ARG 95 201.492 -2.527 5.656 776 1HG ARG 95 HG2 ARG 95 200.590 -2.483 7.703 777 2HG ARG 95 HG1 ARG 95 199.581 -3.899 7.399 778 1HD ARG 95 HD2 ARG 95 201.132 -4.475 9.115 779 2HD ARG 95 HD1 ARG 95 201.632 -5.308 7.644 780 HE ARG 95 HE ARG 95 202.926 -2.768 8.073 781 1HH1 ARG 95 HH11 ARG 95 203.046 -6.203 8.681 782 2HH1 ARG 95 HH12 ARG 95 204.756 -6.222 8.949 783 1HH2 ARG 95 HH21 ARG 95 205.175 -2.791 8.427 784 2HH2 ARG 95 HH22 ARG 95 205.964 -4.285 8.806 785 H ARG 96 HN ARG 96 197.382 -4.234 4.424 786 HA ARG 96 HA ARG 96 197.421 -6.824 5.577 787 1HB ARG 96 HB2 ARG 96 195.202 -7.091 4.524 788 2HB ARG 96 HB1 ARG 96 195.349 -5.580 5.413 789 1HG ARG 96 HG2 ARG 96 194.327 -4.843 3.514 790 2HG ARG 96 HG1 ARG 96 196.019 -4.631 3.057 791 1HD ARG 96 HD2 ARG 96 196.013 -6.586 1.743 792 2HD ARG 96 HD1 ARG 96 194.495 -7.148 2.443 793 HE ARG 96 HE ARG 96 194.832 -5.242 0.300 794 1HH1 ARG 96 HH11 ARG 96 192.678 -6.486 2.751 795 2HH1 ARG 96 HH12 ARG 96 191.245 -5.957 1.936 796 1HH2 ARG 96 HH21 ARG 96 192.947 -4.543 -0.769 797 2HH2 ARG 96 HH22 ARG 96 191.397 -4.852 -0.060 798 H ALA 97 HN ALA 97 197.236 -8.860 4.537 799 HA ALA 97 HA ALA 97 198.438 -8.920 1.845 800 1HB ALA 97 HB1 ALA 97 199.247 -11.231 2.572 801 2HB ALA 97 HB2 ALA 97 198.838 -10.722 4.210 802 3HB ALA 97 HB3 ALA 97 200.044 -9.829 3.283 803 H ALA 98 HN ALA 98 195.661 -9.628 3.616 804 HA ALA 98 HA ALA 98 193.720 -10.696 3.114 805 1HB ALA 98 HB1 ALA 98 193.271 -11.220 0.727 806 2HB ALA 98 HB2 ALA 98 194.934 -10.768 0.355 807 3HB ALA 98 HB3 ALA 98 193.816 -9.565 0.997 808 H THR 99 HN THR 99 192.803 -12.826 2.375 809 HA THR 99 HA THR 99 194.245 -14.940 3.523 810 HB THR 99 HB THR 99 191.781 -14.873 3.353 811 HG1 THR 99 HG1 THR 99 191.724 -16.976 3.365 812 1HG2 THR 99 HG21 THR 99 191.394 -16.030 0.805 813 2HG2 THR 99 HG22 THR 99 192.263 -14.511 0.587 814 3HG2 THR 99 HG23 THR 99 190.725 -14.531 1.450 815 H SER 100 HN SER 100 193.840 -17.088 1.725 816 HA SER 100 HA SER 100 196.273 -17.066 0.318 817 1HB SER 100 HB2 SER 100 194.103 -18.939 -0.512 818 2HB SER 100 HB1 SER 100 195.812 -19.258 -0.215 819 HG SER 100 HG SER 100 195.250 -18.807 2.070 820 H VAL 101 HN VAL 101 196.092 -15.087 -0.912 821 HA VAL 101 HA VAL 101 194.291 -15.185 -3.217 822 HB VAL 101 HB VAL 101 194.977 -12.870 -3.644 823 1HG1 VAL 101 HG11 VAL 101 193.326 -13.756 -1.664 824 2HG1 VAL 101 HG12 VAL 101 193.477 -12.077 -2.181 825 3HG1 VAL 101 HG13 VAL 101 194.387 -12.653 -0.785 826 1HG2 VAL 101 HG21 VAL 101 196.745 -13.265 -1.234 827 2HG2 VAL 101 HG22 VAL 101 196.360 -11.694 -1.934 828 3HG2 VAL 101 HG23 VAL 101 197.249 -12.887 -2.880 829 H LYS 102 HN LYS 102 197.728 -14.915 -2.426 830 HA LYS 102 HA LYS 102 198.457 -15.224 -5.229 831 1HB LYS 102 HB2 LYS 102 200.790 -14.922 -4.393 832 2HB LYS 102 HB1 LYS 102 199.722 -13.575 -4.034 833 1HG LYS 102 HG2 LYS 102 200.798 -13.796 -2.038 834 2HG LYS 102 HG1 LYS 102 199.408 -14.841 -1.756 835 1HD LYS 102 HD2 LYS 102 200.821 -16.492 -1.286 836 2HD LYS 102 HD1 LYS 102 201.338 -16.466 -2.971 837 1HE LYS 102 HE2 LYS 102 203.299 -15.506 -2.476 838 2HE LYS 102 HE1 LYS 102 202.562 -14.374 -1.342 839 1HZ LYS 102 HZ1 LYS 102 202.480 -16.185 0.296 840 2HZ LYS 102 HZ2 LYS 102 204.062 -15.824 -0.182 841 3HZ LYS 102 HZ3 LYS 102 203.289 -17.200 -0.790 842 H ASP 103 HN ASP 103 197.349 -17.370 -3.239 843 HA ASP 103 HA ASP 103 199.155 -19.333 -2.665 844 1HB ASP 103 HB2 ASP 103 196.823 -19.529 -2.046 845 2HB ASP 103 HB1 ASP 103 196.344 -19.650 -3.735 846 H ALA 104 HN ALA 104 200.741 -20.066 -3.911 847 HA ALA 104 HA ALA 104 200.751 -20.061 -6.721 848 1HB ALA 104 HB1 ALA 104 202.842 -20.047 -5.640 849 2HB ALA 104 HB2 ALA 104 202.734 -21.620 -6.432 850 3HB ALA 104 HB3 ALA 104 202.454 -21.487 -4.696 851 H ASN 105 HN ASN 105 200.860 -21.897 -8.171 852 HA ASN 105 HA ASN 105 198.935 -23.970 -7.399 853 1HB ASN 105 HB2 ASN 105 199.706 -22.679 -9.966 854 2HB ASN 105 HB1 ASN 105 199.189 -24.360 -10.033 855 1HD2 ASN 105 HD21 ASN 105 198.249 -21.118 -9.110 856 2HD2 ASN 105 HD22 ASN 105 196.544 -21.391 -9.166 857 H PHE 106 HN PHE 106 200.643 -25.072 -6.157 858 HA PHE 106 HA PHE 106 202.787 -26.289 -7.658 859 1HB PHE 106 HB2 PHE 106 201.937 -26.635 -4.781 860 2HB PHE 106 HB1 PHE 106 203.368 -27.370 -5.493 861 HD1 PHE 106 HD1 PHE 106 203.700 -25.806 -3.130 862 HD2 PHE 106 HD2 PHE 106 203.484 -24.493 -7.173 863 HE1 PHE 106 HE1 PHE 106 205.008 -23.807 -2.547 864 HE2 PHE 106 HE2 PHE 106 204.792 -22.493 -6.596 865 HZ PHE 106 HZ PHE 106 205.557 -22.147 -4.282 866 H VAL 107 HN VAL 107 199.620 -27.084 -6.655 867 HA VAL 107 HA VAL 107 200.012 -29.906 -7.368 868 HB VAL 107 HB VAL 107 197.645 -30.133 -6.384 869 1HG1 VAL 107 HG11 VAL 107 199.818 -30.870 -5.348 870 2HG1 VAL 107 HG12 VAL 107 198.512 -30.528 -4.213 871 3HG1 VAL 107 HG13 VAL 107 199.809 -29.354 -4.444 872 1HG2 VAL 107 HG21 VAL 107 196.934 -28.468 -4.818 873 2HG2 VAL 107 HG22 VAL 107 197.219 -27.675 -6.367 874 3HG2 VAL 107 HG23 VAL 107 198.407 -27.531 -5.070 875 H GLU 108 HN GLU 108 199.919 -29.771 -9.605 876 HA GLU 108 HA GLU 108 197.805 -28.373 -10.944 877 1HB GLU 108 HB2 GLU 108 199.783 -30.390 -12.027 878 2HB GLU 108 HB1 GLU 108 198.755 -29.341 -12.991 879 1HG GLU 108 HG2 GLU 108 200.340 -27.854 -11.075 880 2HG GLU 108 HG1 GLU 108 201.335 -28.820 -12.165 881 H GLU 109 HN GLU 109 197.992 -31.136 -12.709 882 HA GLU 109 HA GLU 109 195.339 -31.923 -12.057 883 1HB GLU 109 HB2 GLU 109 196.594 -32.090 -14.317 884 2HB GLU 109 HB1 GLU 109 197.238 -33.597 -13.675 885 1HG GLU 109 HG2 GLU 109 195.367 -34.179 -14.973 886 2HG GLU 109 HG1 GLU 109 194.857 -34.318 -13.292 887 H VAL 110 HN VAL 110 195.696 -32.352 -9.756 888 HA VAL 110 HA VAL 110 197.320 -34.505 -8.874 889 HB VAL 110 HB VAL 110 195.923 -34.375 -6.783 890 1HG1 VAL 110 HG11 VAL 110 197.465 -32.144 -7.970 891 2HG1 VAL 110 HG12 VAL 110 197.776 -33.093 -6.515 892 3HG1 VAL 110 HG13 VAL 110 196.568 -31.807 -6.489 893 1HG2 VAL 110 HG21 VAL 110 194.695 -31.850 -7.624 894 2HG2 VAL 110 HG22 VAL 110 194.043 -33.158 -6.638 895 3HG2 VAL 110 HG23 VAL 110 194.022 -33.286 -8.396 896 H GLU 111 HN GLU 111 195.912 -36.185 -7.360 897 HA GLU 111 HA GLU 111 194.861 -38.036 -9.184 898 1HB GLU 111 HB2 GLU 111 195.863 -38.691 -7.045 899 2HB GLU 111 HB1 GLU 111 194.527 -37.938 -6.185 900 1HG GLU 111 HG2 GLU 111 192.977 -39.537 -7.101 901 2HG GLU 111 HG1 GLU 111 194.248 -40.243 -8.099 902 H GLU 112 HN GLU 112 193.410 -35.352 -7.722 903 HA GLU 112 HA GLU 112 190.731 -36.369 -8.402 904 1HB GLU 112 HB2 GLU 112 190.809 -33.997 -6.678 905 2HB GLU 112 HB1 GLU 112 189.856 -35.465 -6.531 906 1HG GLU 112 HG2 GLU 112 191.979 -36.579 -5.692 907 2HG GLU 112 HG1 GLU 112 192.646 -34.952 -5.557 908 H GLU 113 HN GLU 113 192.119 -33.134 -7.867 909 HA GLU 113 HA GLU 113 190.537 -31.866 -9.800 910 1HB GLU 113 HB2 GLU 113 193.264 -30.905 -8.955 911 2HB GLU 113 HB1 GLU 113 191.880 -29.941 -9.451 912 1HG GLU 113 HG2 GLU 113 190.709 -30.854 -7.386 913 2HG GLU 113 HG1 GLU 113 192.300 -31.412 -6.873 Start of MODEL 14 1 1H MET 1 HT1 MET 1 187.662 -0.849 -7.106 2 2H MET 1 HT2 MET 1 187.093 0.743 -6.818 3 3H MET 1 HT3 MET 1 186.861 0.012 -8.353 4 HA MET 1 HA MET 1 185.810 -1.415 -6.081 5 1HB MET 1 HB2 MET 1 183.904 0.029 -5.817 6 2HB MET 1 HB1 MET 1 185.354 0.993 -5.586 7 1HG MET 1 HG2 MET 1 184.003 0.879 -8.252 8 2HG MET 1 HG1 MET 1 183.418 1.949 -6.981 9 1HE MET 1 HE1 MET 1 185.182 1.559 -9.905 10 2HE MET 1 HE2 MET 1 186.432 2.799 -10.016 11 3HE MET 1 HE3 MET 1 184.731 3.263 -9.970 12 H THR 2 HN THR 2 184.229 -2.818 -6.750 13 HA THR 2 HA THR 2 183.626 -2.810 -9.635 14 HB THR 2 HB THR 2 185.039 -4.703 -8.915 15 HG1 THR 2 HG1 THR 2 183.352 -4.893 -10.576 16 1HG2 THR 2 HG21 THR 2 184.455 -6.289 -7.373 17 2HG2 THR 2 HG22 THR 2 182.739 -5.892 -7.450 18 3HG2 THR 2 HG23 THR 2 183.856 -4.821 -6.603 19 H MET 3 HN MET 3 182.295 -2.499 -6.550 20 HA MET 3 HA MET 3 180.153 -2.139 -5.863 21 1HB MET 3 HB2 MET 3 179.939 -1.331 -8.345 22 2HB MET 3 HB1 MET 3 179.053 -2.835 -8.558 23 1HG MET 3 HG2 MET 3 177.725 -1.999 -6.470 24 2HG MET 3 HG1 MET 3 178.344 -0.425 -6.964 25 1HE MET 3 HE1 MET 3 175.032 0.314 -8.540 26 2HE MET 3 HE2 MET 3 176.605 1.062 -8.268 27 3HE MET 3 HE3 MET 3 175.806 0.191 -6.960 28 H ASN 4 HN ASN 4 180.308 -3.986 -4.553 29 HA ASN 4 HA ASN 4 179.147 -6.455 -5.640 30 1HB ASN 4 HB2 ASN 4 181.285 -5.919 -3.806 31 2HB ASN 4 HB1 ASN 4 180.041 -6.847 -2.972 32 1HD2 ASN 4 HD21 ASN 4 182.803 -7.155 -4.603 33 2HD2 ASN 4 HD22 ASN 4 182.589 -8.722 -5.299 34 H ILE 5 HN ILE 5 177.405 -7.477 -4.624 35 HA ILE 5 HA ILE 5 176.109 -6.141 -2.386 36 HB ILE 5 HB ILE 5 174.568 -6.628 -4.933 37 1HG1 ILE 5 HG12 ILE 5 175.633 -4.026 -3.808 38 2HG1 ILE 5 HG11 ILE 5 176.191 -4.822 -5.277 39 1HG2 ILE 5 HG21 ILE 5 173.874 -5.267 -2.336 40 2HG2 ILE 5 HG22 ILE 5 173.189 -6.761 -2.974 41 3HG2 ILE 5 HG23 ILE 5 172.866 -5.227 -3.782 42 1HD1 ILE 5 HD11 ILE 5 173.522 -4.577 -5.753 43 2HD1 ILE 5 HD12 ILE 5 174.766 -3.457 -6.309 44 3HD1 ILE 5 HD13 ILE 5 173.869 -3.116 -4.829 45 H THR 6 HN THR 6 174.847 -7.474 -1.160 46 HA THR 6 HA THR 6 173.945 -10.030 -2.104 47 HB THR 6 HB THR 6 176.071 -9.979 0.046 48 HG1 THR 6 HG1 THR 6 177.362 -9.990 -1.599 49 1HG2 THR 6 HG21 THR 6 175.214 -12.454 -1.348 50 2HG2 THR 6 HG22 THR 6 174.203 -11.820 -0.049 51 3HG2 THR 6 HG23 THR 6 175.889 -12.236 0.266 52 H SER 7 HN SER 7 172.047 -8.757 -1.416 53 HA SER 7 HA SER 7 171.661 -8.266 1.389 54 1HB SER 7 HB2 SER 7 169.878 -8.069 -1.032 55 2HB SER 7 HB1 SER 7 169.255 -7.824 0.599 56 HG SER 7 HG SER 7 169.941 -5.857 0.331 57 H LYS 8 HN LYS 8 169.981 -9.234 2.683 58 HA LYS 8 HA LYS 8 169.592 -12.074 2.021 59 1HB LYS 8 HB2 LYS 8 170.594 -10.823 4.334 60 2HB LYS 8 HB1 LYS 8 169.005 -11.435 4.772 61 1HG LYS 8 HG2 LYS 8 171.276 -13.029 3.605 62 2HG LYS 8 HG1 LYS 8 170.706 -13.073 5.273 63 1HD LYS 8 HD2 LYS 8 168.936 -14.379 4.771 64 2HD LYS 8 HD1 LYS 8 168.653 -13.576 3.226 65 1HE LYS 8 HE2 LYS 8 170.663 -14.778 2.335 66 2HE LYS 8 HE1 LYS 8 170.709 -15.692 3.843 67 1HZ LYS 8 HZ1 LYS 8 168.946 -16.930 3.247 68 2HZ LYS 8 HZ2 LYS 8 169.390 -16.489 1.676 69 3HZ LYS 8 HZ3 LYS 8 168.152 -15.652 2.468 70 H GLN 9 HN GLN 9 167.605 -12.828 1.700 71 HA GLN 9 HA GLN 9 165.338 -13.001 1.619 72 1HB GLN 9 HB2 GLN 9 165.067 -10.827 3.670 73 2HB GLN 9 HB1 GLN 9 164.029 -12.216 3.395 74 1HG GLN 9 HG2 GLN 9 165.112 -13.373 4.931 75 2HG GLN 9 HG1 GLN 9 166.637 -13.139 4.079 76 1HE2 GLN 9 HE21 GLN 9 164.612 -10.640 5.516 77 2HE2 GLN 9 HE22 GLN 9 165.756 -10.144 6.710 78 H MET 10 HN MET 10 165.758 -9.555 2.419 79 HA MET 10 HA MET 10 163.956 -8.790 0.310 80 1HB MET 10 HB2 MET 10 163.869 -7.544 2.360 81 2HB MET 10 HB1 MET 10 165.592 -7.201 2.291 82 1HG MET 10 HG2 MET 10 165.195 -5.332 1.186 83 2HG MET 10 HG1 MET 10 164.397 -6.236 -0.098 84 1HE MET 10 HE1 MET 10 160.713 -6.305 1.002 85 2HE MET 10 HE2 MET 10 161.745 -7.352 1.976 86 3HE MET 10 HE3 MET 10 162.027 -7.203 0.241 87 H GLU 11 HN GLU 11 164.490 -8.359 -1.717 88 HA GLU 11 HA GLU 11 167.213 -8.420 -2.585 89 1HB GLU 11 HB2 GLU 11 166.309 -8.122 -4.821 90 2HB GLU 11 HB1 GLU 11 165.365 -9.322 -3.950 91 1HG GLU 11 HG2 GLU 11 163.588 -7.779 -3.592 92 2HG GLU 11 HG1 GLU 11 164.557 -6.437 -4.201 93 H ILE 12 HN ILE 12 167.514 -6.572 -4.513 94 HA ILE 12 HA ILE 12 167.657 -4.088 -2.969 95 HB ILE 12 HB ILE 12 168.978 -4.420 -5.633 96 1HG1 ILE 12 HG12 ILE 12 169.628 -6.446 -4.488 97 2HG1 ILE 12 HG11 ILE 12 170.986 -5.325 -4.451 98 1HG2 ILE 12 HG21 ILE 12 169.191 -2.674 -3.272 99 2HG2 ILE 12 HG22 ILE 12 169.466 -2.321 -4.977 100 3HG2 ILE 12 HG23 ILE 12 170.717 -3.125 -4.031 101 1HD1 ILE 12 HD11 ILE 12 170.651 -4.842 -2.176 102 2HD1 ILE 12 HD12 ILE 12 170.507 -6.593 -2.327 103 3HD1 ILE 12 HD13 ILE 12 169.058 -5.599 -2.170 104 H THR 13 HN THR 13 166.139 -2.619 -3.294 105 HA THR 13 HA THR 13 164.447 -2.688 -5.627 106 HB THR 13 HB THR 13 163.196 -0.928 -4.544 107 HG1 THR 13 HG1 THR 13 165.493 -0.697 -2.926 108 1HG2 THR 13 HG21 THR 13 164.168 -2.950 -2.547 109 2HG2 THR 13 HG22 THR 13 162.732 -3.049 -3.564 110 3HG2 THR 13 HG23 THR 13 162.818 -1.852 -2.273 111 HA PRO 14 HA PRO 14 166.361 0.190 -8.344 112 1HB PRO 14 HB2 PRO 14 164.256 2.002 -8.715 113 2HB PRO 14 HB1 PRO 14 164.552 0.543 -9.663 114 1HG PRO 14 HG2 PRO 14 162.680 0.976 -7.384 115 2HG PRO 14 HG1 PRO 14 162.474 -0.022 -8.836 116 1HD PRO 14 HD2 PRO 14 163.029 -1.127 -6.468 117 2HD PRO 14 HD1 PRO 14 163.737 -1.767 -7.965 118 H ALA 15 HN ALA 15 164.588 1.497 -5.596 119 HA ALA 15 HA ALA 15 165.801 4.076 -5.672 120 1HB ALA 15 HB1 ALA 15 163.969 2.621 -3.891 121 2HB ALA 15 HB2 ALA 15 163.930 4.296 -4.442 122 3HB ALA 15 HB3 ALA 15 164.979 3.831 -3.102 123 H ILE 16 HN ILE 16 166.270 1.270 -3.519 124 HA ILE 16 HA ILE 16 168.430 2.310 -2.083 125 HB ILE 16 HB ILE 16 167.816 -0.586 -2.695 126 1HG1 ILE 16 HG12 ILE 16 167.091 1.113 -0.297 127 2HG1 ILE 16 HG11 ILE 16 165.979 0.659 -1.585 128 1HG2 ILE 16 HG21 ILE 16 169.510 0.590 -0.491 129 2HG2 ILE 16 HG22 ILE 16 170.126 -0.238 -1.921 130 3HG2 ILE 16 HG23 ILE 16 169.154 -1.121 -0.743 131 1HD1 ILE 16 HD11 ILE 16 166.917 -1.766 -0.823 132 2HD1 ILE 16 HD12 ILE 16 165.444 -1.016 -0.209 133 3HD1 ILE 16 HD13 ILE 16 166.948 -0.883 0.704 134 H ARG 17 HN ARG 17 168.386 0.305 -5.021 135 HA ARG 17 HA ARG 17 171.167 -0.009 -5.240 136 1HB ARG 17 HB2 ARG 17 170.776 -0.952 -7.321 137 2HB ARG 17 HB1 ARG 17 169.237 -1.198 -6.512 138 1HG ARG 17 HG2 ARG 17 168.290 0.708 -7.678 139 2HG ARG 17 HG1 ARG 17 169.844 1.025 -8.451 140 1HD ARG 17 HD2 ARG 17 168.463 -1.620 -8.731 141 2HD ARG 17 HD1 ARG 17 168.068 -0.263 -9.786 142 HE ARG 17 HE ARG 17 170.587 -0.286 -10.254 143 1HH1 ARG 17 HH11 ARG 17 168.683 -3.148 -9.605 144 2HH1 ARG 17 HH12 ARG 17 169.727 -4.190 -10.510 145 1HH2 ARG 17 HH21 ARG 17 171.948 -1.663 -11.444 146 2HH2 ARG 17 HH22 ARG 17 171.573 -3.351 -11.553 147 H GLN 18 HN GLN 18 169.008 2.541 -6.318 148 HA GLN 18 HA GLN 18 170.938 3.907 -7.907 149 1HB GLN 18 HB2 GLN 18 168.369 4.098 -7.980 150 2HB GLN 18 HB1 GLN 18 168.547 5.207 -6.626 151 1HG GLN 18 HG2 GLN 18 168.373 6.352 -8.792 152 2HG GLN 18 HG1 GLN 18 169.886 6.696 -7.953 153 1HE2 GLN 18 HE21 GLN 18 171.808 5.953 -8.797 154 2HE2 GLN 18 HE22 GLN 18 171.943 5.309 -10.393 155 H HIS 19 HN HIS 19 169.969 4.048 -4.538 156 HA HIS 19 HA HIS 19 171.300 6.466 -3.898 157 1HB HIS 19 HB2 HIS 19 169.813 4.423 -2.495 158 2HB HIS 19 HB1 HIS 19 171.236 4.892 -1.572 159 HD1 HIS 19 HD1 HIS 19 168.827 7.013 -3.624 160 HD2 HIS 19 HD2 HIS 19 170.337 6.690 0.234 161 HE1 HIS 19 HE1 HIS 19 167.857 8.957 -2.359 162 HE2 HIS 19 HE2 HIS 19 168.721 8.695 -0.006 163 H VAL 20 HN VAL 20 172.216 3.070 -3.289 164 HA VAL 20 HA VAL 20 174.748 3.593 -2.237 165 HB VAL 20 HB VAL 20 173.511 1.385 -2.208 166 1HG1 VAL 20 HG11 VAL 20 173.949 -0.181 -4.034 167 2HG1 VAL 20 HG12 VAL 20 174.741 1.104 -4.946 168 3HG1 VAL 20 HG13 VAL 20 173.018 1.213 -4.586 169 1HG2 VAL 20 HG21 VAL 20 175.426 0.311 -1.649 170 2HG2 VAL 20 HG22 VAL 20 176.093 1.936 -1.804 171 3HG2 VAL 20 HG23 VAL 20 176.256 0.787 -3.132 172 H ALA 21 HN ALA 21 173.673 3.212 -5.562 173 HA ALA 21 HA ALA 21 176.135 3.003 -6.846 174 1HB ALA 21 HB1 ALA 21 174.648 2.733 -8.484 175 2HB ALA 21 HB2 ALA 21 174.576 4.493 -8.582 176 3HB ALA 21 HB3 ALA 21 173.402 3.615 -7.600 177 H ASP 22 HN ASP 22 174.209 5.970 -6.341 178 HA ASP 22 HA ASP 22 176.076 7.779 -7.329 179 1HB ASP 22 HB2 ASP 22 173.560 7.963 -6.239 180 2HB ASP 22 HB1 ASP 22 174.547 8.775 -5.027 181 H ARG 23 HN ARG 23 175.662 6.542 -4.032 182 HA ARG 23 HA ARG 23 177.621 8.126 -2.799 183 1HB ARG 23 HB2 ARG 23 176.160 5.641 -2.150 184 2HB ARG 23 HB1 ARG 23 177.694 5.855 -1.316 185 1HG ARG 23 HG2 ARG 23 175.804 6.712 -0.021 186 2HG ARG 23 HG1 ARG 23 176.958 7.982 -0.432 187 1HD ARG 23 HD2 ARG 23 174.548 7.451 -2.137 188 2HD ARG 23 HD1 ARG 23 174.448 8.474 -0.705 189 HE ARG 23 HE ARG 23 175.556 9.179 -3.224 190 1HH1 ARG 23 HH11 ARG 23 175.932 9.684 0.208 191 2HH1 ARG 23 HH12 ARG 23 176.679 11.237 0.023 192 1HH2 ARG 23 HH21 ARG 23 176.538 11.218 -3.469 193 2HH2 ARG 23 HH22 ARG 23 177.023 12.108 -2.063 194 H LEU 24 HN LEU 24 177.835 5.170 -4.653 195 HA LEU 24 HA LEU 24 180.497 4.494 -3.935 196 1HB LEU 24 HB2 LEU 24 178.991 2.849 -4.895 197 2HB LEU 24 HB1 LEU 24 178.860 3.787 -6.372 198 HG LEU 24 HG LEU 24 181.546 3.395 -6.266 199 1HD1 LEU 24 HD11 LEU 24 182.181 1.600 -5.114 200 2HD1 LEU 24 HD12 LEU 24 180.816 0.645 -5.694 201 3HD1 LEU 24 HD13 LEU 24 180.623 1.698 -4.293 202 1HD2 LEU 24 HD21 LEU 24 180.823 1.253 -7.711 203 2HD2 LEU 24 HD22 LEU 24 180.684 2.910 -8.299 204 3HD2 LEU 24 HD23 LEU 24 179.273 2.090 -7.628 205 H ALA 25 HN ALA 25 179.084 6.545 -6.404 206 HA ALA 25 HA ALA 25 181.456 6.915 -7.923 207 1HB ALA 25 HB1 ALA 25 179.250 7.326 -8.871 208 2HB ALA 25 HB2 ALA 25 180.255 8.771 -8.972 209 3HB ALA 25 HB3 ALA 25 179.000 8.655 -7.740 210 H LYS 26 HN LYS 26 179.953 8.700 -5.267 211 HA LYS 26 HA LYS 26 181.667 10.924 -5.303 212 1HB LYS 26 HB2 LYS 26 179.656 11.107 -4.058 213 2HB LYS 26 HB1 LYS 26 180.011 9.661 -3.124 214 1HG LYS 26 HG2 LYS 26 180.277 11.738 -1.832 215 2HG LYS 26 HG1 LYS 26 181.766 10.800 -1.935 216 1HD LYS 26 HD2 LYS 26 182.670 12.795 -2.481 217 2HD LYS 26 HD1 LYS 26 182.059 12.401 -4.088 218 1HE LYS 26 HE2 LYS 26 180.226 13.773 -2.194 219 2HE LYS 26 HE1 LYS 26 181.531 14.717 -2.913 220 1HZ LYS 26 HZ1 LYS 26 180.636 13.613 -5.093 221 2HZ LYS 26 HZ2 LYS 26 179.902 14.999 -4.461 222 3HZ LYS 26 HZ3 LYS 26 179.206 13.479 -4.197 223 H LEU 27 HN LEU 27 181.862 7.856 -3.528 224 HA LEU 27 HA LEU 27 184.109 8.400 -1.986 225 1HB LEU 27 HB2 LEU 27 182.493 6.190 -2.493 226 2HB LEU 27 HB1 LEU 27 184.097 5.669 -2.976 227 HG LEU 27 HG LEU 27 183.779 5.033 -0.698 228 1HD1 LEU 27 HD11 LEU 27 185.784 5.721 0.057 229 2HD1 LEU 27 HD12 LEU 27 185.398 7.429 -0.162 230 3HD1 LEU 27 HD13 LEU 27 185.909 6.457 -1.543 231 1HD2 LEU 27 HD21 LEU 27 182.806 6.280 0.931 232 2HD2 LEU 27 HD22 LEU 27 182.030 7.026 -0.466 233 3HD2 LEU 27 HD23 LEU 27 183.423 7.803 0.287 234 H GLU 28 HN GLU 28 183.849 7.824 -5.380 235 HA GLU 28 HA GLU 28 186.448 6.907 -5.924 236 1HB GLU 28 HB2 GLU 28 184.746 8.644 -7.716 237 2HB GLU 28 HB1 GLU 28 186.035 7.554 -8.210 238 1HG GLU 28 HG2 GLU 28 184.688 5.655 -7.380 239 2HG GLU 28 HG1 GLU 28 183.381 6.782 -7.018 240 H LYS 29 HN LYS 29 185.183 10.081 -5.247 241 HA LYS 29 HA LYS 29 187.759 11.310 -5.926 242 1HB LYS 29 HB2 LYS 29 185.071 12.535 -5.292 243 2HB LYS 29 HB1 LYS 29 186.533 13.465 -5.582 244 1HG LYS 29 HG2 LYS 29 186.472 13.129 -7.812 245 2HG LYS 29 HG1 LYS 29 185.812 11.500 -7.658 246 1HD LYS 29 HD2 LYS 29 183.734 12.974 -6.740 247 2HD LYS 29 HD1 LYS 29 184.432 14.088 -7.918 248 1HE LYS 29 HE2 LYS 29 183.915 11.219 -8.616 249 2HE LYS 29 HE1 LYS 29 182.628 12.420 -8.706 250 1HZ LYS 29 HZ1 LYS 29 183.779 12.099 -10.831 251 2HZ LYS 29 HZ2 LYS 29 185.228 12.617 -10.127 252 3HZ LYS 29 HZ3 LYS 29 183.927 13.688 -10.265 253 H TRP 30 HN TRP 30 187.190 9.614 -3.519 254 HA TRP 30 HA TRP 30 187.630 11.589 -1.391 255 1HB TRP 30 HB2 TRP 30 186.341 8.956 -1.510 256 2HB TRP 30 HB1 TRP 30 187.419 9.148 -0.133 257 HD1 TRP 30 HD1 TRP 30 184.144 10.473 -1.582 258 HE1 TRP 30 HE1 TRP 30 182.904 11.790 0.250 259 HE3 TRP 30 HE3 TRP 30 187.798 10.529 1.994 260 HZ2 TRP 30 HZ2 TRP 30 183.409 12.727 2.863 261 HZ3 TRP 30 HZ3 TRP 30 187.338 11.657 4.131 262 HH2 TRP 30 HH2 TRP 30 185.189 12.734 4.556 263 H GLN 31 HN GLN 31 189.679 10.912 -3.303 264 HA GLN 31 HA GLN 31 191.842 10.188 -3.472 265 1HB GLN 31 HB2 GLN 31 191.973 12.100 -1.897 266 2HB GLN 31 HB1 GLN 31 191.857 10.970 -0.554 267 1HG GLN 31 HG2 GLN 31 193.957 10.129 -2.286 268 2HG GLN 31 HG1 GLN 31 194.163 11.841 -1.924 269 1HE2 GLN 31 HE21 GLN 31 195.742 11.881 -0.468 270 2HE2 GLN 31 HE22 GLN 31 195.756 11.003 1.019 271 H THR 32 HN THR 32 189.805 8.156 -2.406 272 HA THR 32 HA THR 32 191.596 6.407 -0.903 273 HB THR 32 HB THR 32 188.658 6.065 -1.540 274 HG1 THR 32 HG1 THR 32 188.399 6.694 0.645 275 1HG2 THR 32 HG21 THR 32 188.574 4.329 0.019 276 2HG2 THR 32 HG22 THR 32 190.186 4.690 0.639 277 3HG2 THR 32 HG23 THR 32 189.997 3.979 -0.965 278 H HIS 33 HN HIS 33 189.224 4.697 -2.677 279 HA HIS 33 HA HIS 33 190.212 4.295 -5.177 280 1HB HIS 33 HB2 HIS 33 192.381 3.705 -4.528 281 2HB HIS 33 HB1 HIS 33 191.826 2.827 -3.109 282 HD1 HIS 33 HD1 HIS 33 191.081 2.364 -6.822 283 HD2 HIS 33 HD2 HIS 33 192.430 0.243 -3.516 284 HE1 HIS 33 HE1 HIS 33 191.430 0.011 -7.633 285 HE2 HIS 33 HE2 HIS 33 192.409 -1.209 -5.657 286 H LEU 34 HN LEU 34 189.649 2.109 -2.416 287 HA LEU 34 HA LEU 34 188.115 0.482 -2.036 288 1HB LEU 34 HB2 LEU 34 186.494 2.025 -4.062 289 2HB LEU 34 HB1 LEU 34 185.870 0.748 -3.036 290 HG LEU 34 HG LEU 34 185.186 2.636 -1.904 291 1HD1 LEU 34 HD11 LEU 34 186.889 1.092 -0.608 292 2HD1 LEU 34 HD12 LEU 34 186.224 2.551 0.126 293 3HD1 LEU 34 HD13 LEU 34 187.843 2.574 -0.574 294 1HD2 LEU 34 HD21 LEU 34 187.551 4.260 -1.751 295 2HD2 LEU 34 HD22 LEU 34 185.952 4.662 -2.375 296 3HD2 LEU 34 HD23 LEU 34 187.148 3.910 -3.430 297 H ILE 35 HN ILE 35 187.477 -1.523 -2.781 298 HA ILE 35 HA ILE 35 187.938 -2.121 -5.613 299 HB ILE 35 HB ILE 35 188.931 -4.384 -4.381 300 1HG1 ILE 35 HG12 ILE 35 190.038 -1.941 -2.977 301 2HG1 ILE 35 HG11 ILE 35 189.108 -3.235 -2.228 302 1HG2 ILE 35 HG21 ILE 35 189.676 -2.715 -6.356 303 2HG2 ILE 35 HG22 ILE 35 190.689 -4.018 -5.736 304 3HG2 ILE 35 HG23 ILE 35 190.925 -2.367 -5.163 305 1HD1 ILE 35 HD11 ILE 35 190.861 -4.753 -2.401 306 2HD1 ILE 35 HD12 ILE 35 191.647 -3.243 -1.947 307 3HD1 ILE 35 HD13 ILE 35 191.696 -3.793 -3.622 308 H ASN 36 HN ASN 36 187.139 -3.843 -2.581 309 HA ASN 36 HA ASN 36 184.952 -5.164 -4.039 310 1HB ASN 36 HB2 ASN 36 186.781 -6.042 -1.865 311 2HB ASN 36 HB1 ASN 36 185.142 -6.662 -1.843 312 1HD2 ASN 36 HD21 ASN 36 186.596 -5.895 -4.864 313 2HD2 ASN 36 HD22 ASN 36 186.823 -7.522 -5.364 314 HA PRO 37 HA PRO 37 182.832 -2.388 -0.966 315 1HB PRO 37 HB2 PRO 37 181.083 -1.264 -2.670 316 2HB PRO 37 HB1 PRO 37 182.736 -0.659 -2.499 317 1HG PRO 37 HG2 PRO 37 181.590 -2.465 -4.594 318 2HG PRO 37 HG1 PRO 37 182.673 -1.076 -4.789 319 1HD PRO 37 HD2 PRO 37 183.547 -3.654 -4.798 320 2HD PRO 37 HD1 PRO 37 184.540 -2.296 -4.231 321 H HIS 38 HN HIS 38 181.899 -4.178 0.051 322 HA HIS 38 HA HIS 38 179.759 -5.620 -1.271 323 1HB HIS 38 HB2 HIS 38 181.563 -6.145 0.881 324 2HB HIS 38 HB1 HIS 38 179.918 -6.320 1.481 325 HD1 HIS 38 HD1 HIS 38 182.407 -8.392 0.321 326 HD2 HIS 38 HD2 HIS 38 178.440 -7.907 -0.818 327 HE1 HIS 38 HE1 HIS 38 181.774 -10.531 -0.842 328 HE2 HIS 38 HE2 HIS 38 179.344 -10.247 -1.445 329 H ILE 39 HN ILE 39 177.663 -5.201 -1.083 330 HA ILE 39 HA ILE 39 176.797 -3.328 1.021 331 HB ILE 39 HB ILE 39 175.705 -3.703 -1.771 332 1HG1 ILE 39 HG12 ILE 39 177.753 -2.315 -1.534 333 2HG1 ILE 39 HG11 ILE 39 176.363 -1.395 -2.104 334 1HG2 ILE 39 HG21 ILE 39 174.252 -1.681 -0.989 335 2HG2 ILE 39 HG22 ILE 39 174.549 -2.339 0.620 336 3HG2 ILE 39 HG23 ILE 39 173.753 -3.328 -0.605 337 1HD1 ILE 39 HD11 ILE 39 176.034 -0.756 0.355 338 2HD1 ILE 39 HD12 ILE 39 177.359 -0.005 -0.536 339 3HD1 ILE 39 HD13 ILE 39 177.685 -1.335 0.576 340 H ILE 40 HN ILE 40 176.156 -4.773 2.570 341 HA ILE 40 HA ILE 40 174.292 -6.900 1.820 342 HB ILE 40 HB ILE 40 175.312 -6.447 4.607 343 1HG1 ILE 40 HG12 ILE 40 176.737 -7.997 2.430 344 2HG1 ILE 40 HG11 ILE 40 177.271 -6.453 3.086 345 1HG2 ILE 40 HG21 ILE 40 173.469 -8.088 4.036 346 2HG2 ILE 40 HG22 ILE 40 174.847 -8.736 4.926 347 3HG2 ILE 40 HG23 ILE 40 174.699 -9.027 3.193 348 1HD1 ILE 40 HD11 ILE 40 176.990 -9.000 4.662 349 2HD1 ILE 40 HD12 ILE 40 177.610 -7.461 5.256 350 3HD1 ILE 40 HD13 ILE 40 178.500 -8.351 4.022 351 H LEU 41 HN LEU 41 172.455 -5.609 1.417 352 HA LEU 41 HA LEU 41 171.350 -4.166 3.721 353 1HB LEU 41 HB2 LEU 41 171.403 -2.802 1.784 354 2HB LEU 41 HB1 LEU 41 170.763 -4.080 0.772 355 HG LEU 41 HG LEU 41 168.845 -3.525 2.811 356 1HD1 LEU 41 HD11 LEU 41 170.319 -1.275 2.489 357 2HD1 LEU 41 HD12 LEU 41 168.611 -1.297 2.928 358 3HD1 LEU 41 HD13 LEU 41 169.088 -1.053 1.247 359 1HD2 LEU 41 HD21 LEU 41 168.298 -4.474 0.666 360 2HD2 LEU 41 HD22 LEU 41 168.891 -3.036 -0.164 361 3HD2 LEU 41 HD23 LEU 41 167.452 -2.938 0.851 362 H SER 42 HN SER 42 170.359 -5.661 4.981 363 HA SER 42 HA SER 42 168.387 -7.430 3.691 364 1HB SER 42 HB2 SER 42 169.616 -7.819 6.424 365 2HB SER 42 HB1 SER 42 168.681 -8.984 5.486 366 HG SER 42 HG SER 42 171.338 -8.353 5.346 367 H LYS 43 HN LYS 43 166.350 -7.718 4.692 368 HA LYS 43 HA LYS 43 165.425 -5.338 6.085 369 1HB LYS 43 HB2 LYS 43 164.236 -6.470 4.104 370 2HB LYS 43 HB1 LYS 43 163.722 -7.682 5.271 371 1HG LYS 43 HG2 LYS 43 163.017 -5.400 6.552 372 2HG LYS 43 HG1 LYS 43 162.790 -4.933 4.865 373 1HD LYS 43 HD2 LYS 43 160.720 -5.824 5.578 374 2HD LYS 43 HD1 LYS 43 161.472 -7.078 4.589 375 1HE LYS 43 HE2 LYS 43 162.408 -7.644 7.109 376 2HE LYS 43 HE1 LYS 43 160.764 -7.088 7.423 377 1HZ LYS 43 HZ1 LYS 43 161.308 -9.092 5.325 378 2HZ LYS 43 HZ2 LYS 43 159.864 -8.788 6.153 379 3HZ LYS 43 HZ3 LYS 43 161.145 -9.559 6.943 380 H GLU 44 HN GLU 44 165.675 -5.319 8.224 381 HA GLU 44 HA GLU 44 165.287 -7.820 9.711 382 1HB GLU 44 HB2 GLU 44 167.106 -5.587 9.983 383 2HB GLU 44 HB1 GLU 44 166.235 -5.871 11.481 384 1HG GLU 44 HG2 GLU 44 166.941 -8.398 10.808 385 2HG GLU 44 HG1 GLU 44 168.300 -7.480 10.163 386 HA PRO 45 HA PRO 45 161.386 -6.931 11.526 387 1HB PRO 45 HB2 PRO 45 162.486 -6.996 14.208 388 2HB PRO 45 HB1 PRO 45 161.430 -8.159 13.423 389 1HG PRO 45 HG2 PRO 45 164.317 -8.248 13.802 390 2HG PRO 45 HG1 PRO 45 163.214 -9.548 13.326 391 1HD PRO 45 HD2 PRO 45 165.045 -8.439 11.642 392 2HD PRO 45 HD1 PRO 45 163.512 -9.142 11.087 393 H GLN 46 HN GLN 46 164.097 -5.426 13.267 394 HA GLN 46 HA GLN 46 162.441 -3.063 13.737 395 1HB GLN 46 HB2 GLN 46 163.967 -4.509 15.432 396 2HB GLN 46 HB1 GLN 46 165.110 -3.247 14.976 397 1HG GLN 46 HG2 GLN 46 164.107 -1.760 16.277 398 2HG GLN 46 HG1 GLN 46 162.527 -2.122 15.583 399 1HE2 GLN 46 HE21 GLN 46 162.189 -4.731 16.296 400 2HE2 GLN 46 HE22 GLN 46 162.087 -4.863 18.016 401 H GLY 47 HN GLY 47 163.172 -3.072 11.144 402 1HA GLY 47 HA2 GLY 47 163.881 -1.054 9.993 403 2HA GLY 47 HA1 GLY 47 165.245 -0.971 11.090 404 H PHE 48 HN PHE 48 165.857 -0.655 8.584 405 HA PHE 48 HA PHE 48 166.496 -3.140 7.248 406 1HB PHE 48 HB2 PHE 48 166.568 -0.261 6.599 407 2HB PHE 48 HB1 PHE 48 167.859 -1.209 5.875 408 HD1 PHE 48 HD1 PHE 48 166.351 -3.767 5.418 409 HD2 PHE 48 HD2 PHE 48 165.301 0.298 4.741 410 HE1 PHE 48 HE1 PHE 48 164.822 -4.465 3.621 411 HE2 PHE 48 HE2 PHE 48 163.772 -0.388 2.945 412 HZ PHE 48 HZ PHE 48 163.527 -2.774 2.382 413 H VAL 49 HN VAL 49 168.537 -4.000 6.962 414 HA VAL 49 HA VAL 49 170.636 -2.922 8.729 415 HB VAL 49 HB VAL 49 170.488 -5.736 7.651 416 1HG1 VAL 49 HG11 VAL 49 172.642 -5.569 8.335 417 2HG1 VAL 49 HG12 VAL 49 171.916 -5.907 9.906 418 3HG1 VAL 49 HG13 VAL 49 172.302 -4.247 9.452 419 1HG2 VAL 49 HG21 VAL 49 168.717 -5.963 9.010 420 2HG2 VAL 49 HG22 VAL 49 169.077 -4.480 9.896 421 3HG2 VAL 49 HG23 VAL 49 169.926 -5.973 10.295 422 H ALA 50 HN ALA 50 171.414 -1.454 7.149 423 HA ALA 50 HA ALA 50 172.410 -2.539 4.641 424 1HB ALA 50 HB1 ALA 50 172.495 0.284 5.696 425 2HB ALA 50 HB2 ALA 50 171.256 -0.382 4.632 426 3HB ALA 50 HB3 ALA 50 172.918 -0.231 4.062 427 H ASP 51 HN ASP 51 174.110 -3.862 5.286 428 HA ASP 51 HA ASP 51 176.303 -2.673 6.797 429 1HB ASP 51 HB2 ASP 51 175.297 -5.336 6.405 430 2HB ASP 51 HB1 ASP 51 176.993 -5.281 5.935 431 H ALA 52 HN ALA 52 177.139 -1.190 5.325 432 HA ALA 52 HA ALA 52 177.986 -2.113 2.705 433 1HB ALA 52 HB1 ALA 52 177.850 0.027 2.105 434 2HB ALA 52 HB2 ALA 52 178.883 0.547 3.437 435 3HB ALA 52 HB3 ALA 52 177.152 0.333 3.696 436 H THR 53 HN THR 53 179.679 -3.503 2.967 437 HA THR 53 HA THR 53 181.983 -2.637 4.549 438 HB THR 53 HB THR 53 181.558 -5.277 3.138 439 HG1 THR 53 HG1 THR 53 180.120 -5.543 4.644 440 1HG2 THR 53 HG21 THR 53 183.889 -4.814 3.738 441 2HG2 THR 53 HG22 THR 53 183.208 -6.155 4.660 442 3HG2 THR 53 HG23 THR 53 183.394 -4.570 5.412 443 H ILE 54 HN ILE 54 183.108 -1.179 3.367 444 HA ILE 54 HA ILE 54 183.734 -1.837 0.579 445 HB ILE 54 HB ILE 54 184.368 0.791 1.881 446 1HG1 ILE 54 HG12 ILE 54 181.739 -0.056 0.640 447 2HG1 ILE 54 HG11 ILE 54 182.003 0.417 2.316 448 1HG2 ILE 54 HG21 ILE 54 184.465 1.629 -0.301 449 2HG2 ILE 54 HG22 ILE 54 183.585 0.253 -0.965 450 3HG2 ILE 54 HG23 ILE 54 185.244 0.050 -0.404 451 1HD1 ILE 54 HD11 ILE 54 182.859 2.638 1.159 452 2HD1 ILE 54 HD12 ILE 54 181.154 2.353 1.509 453 3HD1 ILE 54 HD13 ILE 54 181.778 2.083 -0.118 454 H ASN 55 HN ASN 55 185.617 -2.736 0.154 455 HA ASN 55 HA ASN 55 187.745 -2.721 2.110 456 1HB ASN 55 HB2 ASN 55 187.056 -4.718 0.663 457 2HB ASN 55 HB1 ASN 55 187.883 -3.900 -0.662 458 1HD2 ASN 55 HD21 ASN 55 188.592 -4.410 2.779 459 2HD2 ASN 55 HD22 ASN 55 190.169 -5.070 2.529 460 H THR 56 HN THR 56 188.655 -0.723 2.218 461 HA THR 56 HA THR 56 189.504 0.600 -0.239 462 HB THR 56 HB THR 56 189.374 2.537 0.899 463 HG1 THR 56 HG1 THR 56 190.856 2.857 2.312 464 1HG2 THR 56 HG21 THR 56 187.831 2.677 2.612 465 2HG2 THR 56 HG22 THR 56 188.294 1.118 3.291 466 3HG2 THR 56 HG23 THR 56 187.380 1.187 1.783 467 HA PRO 57 HA PRO 57 193.779 -0.421 -0.021 468 1HB PRO 57 HB2 PRO 57 195.078 1.974 -0.213 469 2HB PRO 57 HB1 PRO 57 194.295 1.174 -1.579 470 1HG PRO 57 HG2 PRO 57 193.285 3.400 0.147 471 2HG PRO 57 HG1 PRO 57 193.173 3.208 -1.612 472 1HD PRO 57 HD2 PRO 57 191.099 2.672 0.022 473 2HD PRO 57 HD1 PRO 57 191.388 1.750 -1.467 474 H ASN 58 HN ASN 58 192.612 1.924 2.278 475 HA ASN 58 HA ASN 58 194.956 1.524 3.985 476 1HB ASN 58 HB2 ASN 58 193.968 3.342 5.373 477 2HB ASN 58 HB1 ASN 58 194.300 3.832 3.714 478 1HD2 ASN 58 HD21 ASN 58 192.790 5.098 2.945 479 2HD2 ASN 58 HD22 ASN 58 191.095 4.982 3.260 480 H GLY 59 HN GLY 59 191.876 0.234 3.539 481 1HA GLY 59 HA2 GLY 59 191.916 -1.702 5.401 482 2HA GLY 59 HA1 GLY 59 191.354 -0.325 6.337 483 H VAL 60 HN VAL 60 189.506 -1.901 6.580 484 HA VAL 60 HA VAL 60 187.658 -1.719 4.296 485 HB VAL 60 HB VAL 60 187.200 -3.523 6.649 486 1HG1 VAL 60 HG11 VAL 60 185.390 -4.027 5.466 487 2HG1 VAL 60 HG12 VAL 60 186.434 -4.687 4.207 488 3HG1 VAL 60 HG13 VAL 60 185.925 -3.000 4.136 489 1HG2 VAL 60 HG21 VAL 60 189.173 -4.511 6.175 490 2HG2 VAL 60 HG22 VAL 60 189.260 -3.806 4.561 491 3HG2 VAL 60 HG23 VAL 60 188.261 -5.229 4.849 492 H LEU 61 HN LEU 61 186.102 -0.258 4.448 493 HA LEU 61 HA LEU 61 185.390 0.814 7.075 494 1HB LEU 61 HB2 LEU 61 185.161 1.789 4.267 495 2HB LEU 61 HB1 LEU 61 184.026 2.398 5.456 496 HG LEU 61 HG LEU 61 185.982 3.877 5.131 497 1HD1 LEU 61 HD11 LEU 61 186.672 3.650 7.718 498 2HD1 LEU 61 HD12 LEU 61 185.185 2.701 7.712 499 3HD1 LEU 61 HD13 LEU 61 185.162 4.379 7.169 500 1HD2 LEU 61 HD21 LEU 61 187.782 2.141 6.660 501 2HD2 LEU 61 HD22 LEU 61 188.114 3.197 5.288 502 3HD2 LEU 61 HD23 LEU 61 187.445 1.588 5.021 503 H VAL 62 HN VAL 62 183.802 -0.247 8.066 504 HA VAL 62 HA VAL 62 181.674 -1.490 6.507 505 HB VAL 62 HB VAL 62 182.074 -1.598 9.493 506 1HG1 VAL 62 HG11 VAL 62 179.865 -2.247 8.926 507 2HG1 VAL 62 HG12 VAL 62 180.770 -3.736 9.200 508 3HG1 VAL 62 HG13 VAL 62 180.425 -3.203 7.554 509 1HG2 VAL 62 HG21 VAL 62 184.065 -2.439 8.357 510 2HG2 VAL 62 HG22 VAL 62 183.064 -3.515 7.384 511 3HG2 VAL 62 HG23 VAL 62 183.173 -3.750 9.128 512 H ALA 63 HN ALA 63 180.226 0.054 5.890 513 HA ALA 63 HA ALA 63 179.294 2.035 7.806 514 1HB ALA 63 HB1 ALA 63 178.308 1.652 4.992 515 2HB ALA 63 HB2 ALA 63 179.774 2.550 5.378 516 3HB ALA 63 HB3 ALA 63 178.216 3.100 5.993 517 H SER 64 HN SER 64 177.982 1.111 9.297 518 HA SER 64 HA SER 64 175.953 -0.800 8.496 519 1HB SER 64 HB2 SER 64 175.559 -0.081 11.197 520 2HB SER 64 HB1 SER 64 176.327 -1.542 10.577 521 HG SER 64 HG SER 64 178.261 -0.708 10.943 522 H GLY 65 HN GLY 65 173.947 -0.275 7.945 523 1HA GLY 65 HA2 GLY 65 172.938 2.382 8.758 524 2HA GLY 65 HA1 GLY 65 172.570 1.639 7.210 525 H LYS 66 HN LYS 66 171.798 1.790 10.574 526 HA LYS 66 HA LYS 66 169.723 -0.260 10.249 527 1HB LYS 66 HB2 LYS 66 170.566 1.072 12.820 528 2HB LYS 66 HB1 LYS 66 169.625 -0.402 12.631 529 1HG LYS 66 HG2 LYS 66 172.478 -0.142 11.719 530 2HG LYS 66 HG1 LYS 66 172.014 -0.717 13.322 531 1HD LYS 66 HD2 LYS 66 170.657 -2.020 11.052 532 2HD LYS 66 HD1 LYS 66 172.388 -2.332 11.191 533 1HE LYS 66 HE2 LYS 66 171.811 -2.775 13.700 534 2HE LYS 66 HE1 LYS 66 170.178 -3.016 13.079 535 1HZ LYS 66 HZ1 LYS 66 171.817 -5.005 13.256 536 2HZ LYS 66 HZ2 LYS 66 172.421 -4.411 11.792 537 3HZ LYS 66 HZ3 LYS 66 170.797 -4.871 11.911 538 H HIS 67 HN HIS 67 167.889 0.601 9.461 539 HA HIS 67 HA HIS 67 166.436 2.495 11.014 540 1HB HIS 67 HB2 HIS 67 168.208 3.605 9.107 541 2HB HIS 67 HB1 HIS 67 166.583 3.806 8.464 542 HD1 HIS 67 HD1 HIS 67 168.443 4.489 11.714 543 HD2 HIS 67 HD2 HIS 67 165.309 5.988 9.435 544 HE1 HIS 67 HE1 HIS 67 167.706 6.588 12.883 545 HE2 HIS 67 HE2 HIS 67 165.748 7.428 11.537 546 H GLU 68 HN GLU 68 164.278 2.682 10.401 547 HA GLU 68 HA GLU 68 163.173 0.487 9.047 548 1HB GLU 68 HB2 GLU 68 162.012 3.133 9.901 549 2HB GLU 68 HB1 GLU 68 161.042 1.894 9.118 550 1HG GLU 68 HG2 GLU 68 161.086 0.514 10.930 551 2HG GLU 68 HG1 GLU 68 162.642 1.121 11.495 552 H ASP 69 HN ASP 69 163.667 3.842 8.014 553 HA ASP 69 HA ASP 69 162.525 3.377 5.416 554 1HB ASP 69 HB2 ASP 69 163.640 5.669 6.893 555 2HB ASP 69 HB1 ASP 69 163.914 5.714 5.152 556 H MET 70 HN MET 70 163.570 3.070 3.487 557 HA MET 70 HA MET 70 166.111 1.818 3.599 558 1HB MET 70 HB2 MET 70 165.854 1.345 1.318 559 2HB MET 70 HB1 MET 70 164.219 1.341 1.957 560 1HG MET 70 HG2 MET 70 165.400 3.747 0.604 561 2HG MET 70 HG1 MET 70 164.603 2.457 -0.285 562 1HE MET 70 HE1 MET 70 162.522 1.566 0.153 563 2HE MET 70 HE2 MET 70 161.345 2.775 -0.358 564 3HE MET 70 HE3 MET 70 161.301 2.143 1.288 565 H TYR 71 HN TYR 71 165.064 4.936 2.211 566 HA TYR 71 HA TYR 71 167.664 5.691 1.390 567 1HB TYR 71 HB2 TYR 71 165.054 7.106 1.714 568 2HB TYR 71 HB1 TYR 71 166.513 8.071 1.533 569 HD1 TYR 71 HD1 TYR 71 164.848 8.707 -0.496 570 HD2 TYR 71 HD2 TYR 71 167.117 5.116 -0.211 571 HE1 TYR 71 HE1 TYR 71 164.727 8.435 -2.938 572 HE2 TYR 71 HE2 TYR 71 167.007 4.839 -2.640 573 HH TYR 71 HH TYR 71 164.914 6.168 -4.551 574 H THR 72 HN THR 72 165.940 5.964 4.403 575 HA THR 72 HA THR 72 167.768 7.842 5.572 576 HB THR 72 HB THR 72 166.056 5.966 7.175 577 HG1 THR 72 HG1 THR 72 165.193 8.138 5.588 578 1HG2 THR 72 HG21 THR 72 166.552 8.908 7.531 579 2HG2 THR 72 HG22 THR 72 167.508 7.646 8.308 580 3HG2 THR 72 HG23 THR 72 165.787 7.795 8.666 581 H ALA 73 HN ALA 73 167.644 4.432 5.086 582 HA ALA 73 HA ALA 73 169.486 3.680 7.131 583 1HB ALA 73 HB1 ALA 73 168.479 1.761 6.566 584 2HB ALA 73 HB2 ALA 73 169.636 1.694 5.238 585 3HB ALA 73 HB3 ALA 73 168.026 2.364 4.972 586 H ILE 74 HN ILE 74 169.746 4.519 3.713 587 HA ILE 74 HA ILE 74 172.547 3.908 3.555 588 HB ILE 74 HB ILE 74 171.777 5.854 1.561 589 1HG1 ILE 74 HG12 ILE 74 169.475 4.933 2.064 590 2HG1 ILE 74 HG11 ILE 74 170.020 4.734 0.406 591 1HG2 ILE 74 HG21 ILE 74 172.823 3.072 1.647 592 2HG2 ILE 74 HG22 ILE 74 173.546 4.535 0.980 593 3HG2 ILE 74 HG23 ILE 74 172.238 3.726 0.116 594 1HD1 ILE 74 HD11 ILE 74 169.766 2.658 2.546 595 2HD1 ILE 74 HD12 ILE 74 170.738 2.392 1.099 596 3HD1 ILE 74 HD13 ILE 74 169.009 2.711 0.952 597 H ASN 75 HN ASN 75 170.630 6.772 4.207 598 HA ASN 75 HA ASN 75 172.759 8.640 4.048 599 1HB ASN 75 HB2 ASN 75 169.988 8.660 5.164 600 2HB ASN 75 HB1 ASN 75 171.096 9.941 5.649 601 1HD2 ASN 75 HD21 ASN 75 169.667 8.344 2.853 602 2HD2 ASN 75 HD22 ASN 75 169.733 9.719 1.807 603 H GLU 76 HN GLU 76 171.505 6.585 6.590 604 HA GLU 76 HA GLU 76 172.977 7.821 8.702 605 1HB GLU 76 HB2 GLU 76 170.920 6.537 9.113 606 2HB GLU 76 HB1 GLU 76 171.726 5.074 8.563 607 1HG GLU 76 HG2 GLU 76 172.633 4.723 10.553 608 2HG GLU 76 HG1 GLU 76 173.238 6.376 10.646 609 H LEU 77 HN LEU 77 173.452 4.933 6.695 610 HA LEU 77 HA LEU 77 175.857 4.151 7.994 611 1HB LEU 77 HB2 LEU 77 176.092 2.509 6.276 612 2HB LEU 77 HB1 LEU 77 174.403 2.591 6.741 613 HG LEU 77 HG LEU 77 174.161 4.169 4.692 614 1HD1 LEU 77 HD11 LEU 77 175.983 4.545 3.486 615 2HD1 LEU 77 HD12 LEU 77 176.072 2.824 3.116 616 3HD1 LEU 77 HD13 LEU 77 176.926 3.468 4.517 617 1HD2 LEU 77 HD21 LEU 77 174.113 2.034 3.203 618 2HD2 LEU 77 HD22 LEU 77 173.001 2.181 4.562 619 3HD2 LEU 77 HD23 LEU 77 174.456 1.198 4.717 620 H ILE 78 HN ILE 78 175.149 6.032 5.085 621 HA ILE 78 HA ILE 78 177.789 6.212 4.137 622 HB ILE 78 HB ILE 78 175.723 6.814 2.846 623 1HG1 ILE 78 HG12 ILE 78 178.073 7.393 2.157 624 2HG1 ILE 78 HG11 ILE 78 176.826 8.436 1.480 625 1HG2 ILE 78 HG21 ILE 78 174.642 8.191 4.543 626 2HG2 ILE 78 HG22 ILE 78 174.832 9.068 3.027 627 3HG2 ILE 78 HG23 ILE 78 175.915 9.399 4.379 628 1HD1 ILE 78 HD11 ILE 78 177.538 9.759 3.773 629 2HD1 ILE 78 HD12 ILE 78 178.122 10.113 2.149 630 3HD1 ILE 78 HD13 ILE 78 179.065 9.076 3.218 631 H ASN 79 HN ASN 79 175.950 8.312 6.338 632 HA ASN 79 HA ASN 79 177.922 10.300 6.595 633 1HB ASN 79 HB2 ASN 79 176.420 11.287 7.951 634 2HB ASN 79 HB1 ASN 79 175.352 9.955 7.528 635 1HD2 ASN 79 HD21 ASN 79 174.747 8.547 9.065 636 2HD2 ASN 79 HD22 ASN 79 175.269 8.608 10.711 637 H LYS 80 HN LYS 80 177.258 7.417 8.571 638 HA LYS 80 HA LYS 80 179.304 7.833 10.454 639 1HB LYS 80 HB2 LYS 80 177.439 5.729 9.766 640 2HB LYS 80 HB1 LYS 80 179.008 5.058 10.186 641 1HG LYS 80 HG2 LYS 80 178.786 5.566 12.353 642 2HG LYS 80 HG1 LYS 80 178.068 7.142 12.013 643 1HD LYS 80 HD2 LYS 80 176.364 4.848 11.339 644 2HD LYS 80 HD1 LYS 80 176.727 5.013 13.059 645 1HE LYS 80 HE2 LYS 80 176.142 7.577 12.413 646 2HE LYS 80 HE1 LYS 80 175.094 6.710 11.291 647 1HZ LYS 80 HZ1 LYS 80 175.116 5.832 14.079 648 2HZ LYS 80 HZ2 LYS 80 173.843 5.865 12.966 649 3HZ LYS 80 HZ3 LYS 80 174.336 7.292 13.728 650 H LEU 81 HN LEU 81 179.258 5.941 7.449 651 HA LEU 81 HA LEU 81 181.841 4.897 7.570 652 1HB LEU 81 HB2 LEU 81 179.879 4.494 5.894 653 2HB LEU 81 HB1 LEU 81 180.625 5.788 4.978 654 HG LEU 81 HG LEU 81 181.842 3.121 5.680 655 1HD1 LEU 81 HD11 LEU 81 180.189 3.731 3.636 656 2HD1 LEU 81 HD12 LEU 81 181.450 2.501 3.555 657 3HD1 LEU 81 HD13 LEU 81 181.751 4.117 2.915 658 1HD2 LEU 81 HD21 LEU 81 183.085 5.615 4.574 659 2HD2 LEU 81 HD22 LEU 81 183.737 4.017 4.209 660 3HD2 LEU 81 HD23 LEU 81 183.655 4.575 5.878 661 H GLU 82 HN GLU 82 180.682 8.005 6.350 662 HA GLU 82 HA GLU 82 183.026 8.919 5.154 663 1HB GLU 82 HB2 GLU 82 180.527 9.929 5.494 664 2HB GLU 82 HB1 GLU 82 181.441 10.946 6.599 665 1HG GLU 82 HG2 GLU 82 182.925 11.610 4.805 666 2HG GLU 82 HG1 GLU 82 182.082 10.537 3.687 667 H ARG 83 HN ARG 83 181.864 9.567 8.468 668 HA ARG 83 HA ARG 83 184.008 11.047 9.381 669 1HB ARG 83 HB2 ARG 83 182.529 9.017 11.052 670 2HB ARG 83 HB1 ARG 83 183.315 10.488 11.606 671 1HG ARG 83 HG2 ARG 83 181.511 11.419 9.756 672 2HG ARG 83 HG1 ARG 83 180.646 10.087 10.523 673 1HD ARG 83 HD2 ARG 83 180.145 11.514 12.160 674 2HD ARG 83 HD1 ARG 83 181.838 11.409 12.642 675 HE ARG 83 HE ARG 83 181.844 13.328 10.729 676 1HH1 ARG 83 HH11 ARG 83 180.006 12.862 13.657 677 2HH1 ARG 83 HH12 ARG 83 179.802 14.557 13.947 678 1HH2 ARG 83 HH21 ARG 83 181.577 15.557 11.108 679 2HH2 ARG 83 HH22 ARG 83 180.691 16.087 12.499 680 H GLN 84 HN GLN 84 183.608 7.516 9.500 681 HA GLN 84 HA GLN 84 185.965 6.867 10.812 682 1HB GLN 84 HB2 GLN 84 184.243 5.427 8.830 683 2HB GLN 84 HB1 GLN 84 185.765 4.708 9.340 684 1HG GLN 84 HG2 GLN 84 184.975 4.953 11.707 685 2HG GLN 84 HG1 GLN 84 183.403 5.413 11.056 686 1HE2 GLN 84 HE21 GLN 84 183.257 3.692 8.893 687 2HE2 GLN 84 HE22 GLN 84 183.135 2.067 9.473 688 H LEU 85 HN LEU 85 185.396 7.199 7.316 689 HA LEU 85 HA LEU 85 187.990 6.569 6.474 690 1HB LEU 85 HB2 LEU 85 185.683 7.079 5.200 691 2HB LEU 85 HB1 LEU 85 186.483 8.618 4.951 692 HG LEU 85 HG LEU 85 188.033 6.165 4.310 693 1HD1 LEU 85 HD11 LEU 85 186.854 5.507 2.513 694 2HD1 LEU 85 HD12 LEU 85 186.327 7.146 2.125 695 3HD1 LEU 85 HD13 LEU 85 185.497 6.227 3.381 696 1HD2 LEU 85 HD21 LEU 85 189.142 7.545 2.830 697 2HD2 LEU 85 HD22 LEU 85 188.713 8.673 4.117 698 3HD2 LEU 85 HD23 LEU 85 187.760 8.624 2.634 699 H ASN 86 HN ASN 86 186.550 9.623 7.484 700 HA ASN 86 HA ASN 86 188.638 11.333 6.734 701 1HB ASN 86 HB2 ASN 86 186.487 11.488 8.825 702 2HB ASN 86 HB1 ASN 86 187.714 12.746 8.713 703 1HD2 ASN 86 HD21 ASN 86 184.782 12.724 8.204 704 2HD2 ASN 86 HD22 ASN 86 184.602 13.376 6.613 705 H LYS 87 HN LYS 87 188.208 9.287 9.550 706 HA LYS 87 HA LYS 87 190.301 10.403 11.104 707 1HB LYS 87 HB2 LYS 87 189.436 7.530 11.299 708 2HB LYS 87 HB1 LYS 87 189.987 8.602 12.579 709 1HG LYS 87 HG2 LYS 87 187.310 8.424 11.279 710 2HG LYS 87 HG1 LYS 87 187.729 8.478 12.992 711 1HD LYS 87 HD2 LYS 87 188.149 10.819 11.140 712 2HD LYS 87 HD1 LYS 87 186.641 10.560 12.025 713 1HE LYS 87 HE2 LYS 87 187.845 10.630 14.137 714 2HE LYS 87 HE1 LYS 87 189.373 10.816 13.279 715 1HZ LYS 87 HZ1 LYS 87 187.335 12.773 12.629 716 2HZ LYS 87 HZ2 LYS 87 188.992 12.982 12.896 717 3HZ LYS 87 HZ3 LYS 87 187.934 12.857 14.210 718 H LEU 88 HN LEU 88 190.146 7.461 9.112 719 HA LEU 88 HA LEU 88 192.892 6.844 9.350 720 1HB LEU 88 HB2 LEU 88 190.620 5.951 7.699 721 2HB LEU 88 HB1 LEU 88 192.190 5.769 6.940 722 HG LEU 88 HG LEU 88 191.840 4.748 9.719 723 1HD1 LEU 88 HD11 LEU 88 191.174 2.537 8.571 724 2HD1 LEU 88 HD12 LEU 88 190.624 3.569 7.251 725 3HD1 LEU 88 HD13 LEU 88 189.929 3.751 8.862 726 1HD2 LEU 88 HD21 LEU 88 193.977 4.308 9.134 727 2HD2 LEU 88 HD22 LEU 88 193.626 4.346 7.406 728 3HD2 LEU 88 HD23 LEU 88 193.246 2.907 8.352 729 H GLN 89 HN GLN 89 191.215 9.269 7.626 730 HA GLN 89 HA GLN 89 193.274 9.583 5.593 731 1HB GLN 89 HB2 GLN 89 190.545 10.529 6.015 732 2HB GLN 89 HB1 GLN 89 191.618 11.795 5.435 733 1HG GLN 89 HG2 GLN 89 192.309 9.827 3.755 734 2HG GLN 89 HG1 GLN 89 190.638 9.369 4.080 735 1HE2 GLN 89 HE21 GLN 89 191.818 10.316 1.610 736 2HE2 GLN 89 HE22 GLN 89 190.959 11.750 1.174 737 H HIS 90 HN HIS 90 192.047 11.309 8.431 738 HA HIS 90 HA HIS 90 193.518 13.633 8.291 739 1HB HIS 90 HB2 HIS 90 191.846 12.466 10.150 740 2HB HIS 90 HB1 HIS 90 193.379 12.564 11.010 741 HD1 HIS 90 HD1 HIS 90 194.306 14.933 11.518 742 HD2 HIS 90 HD2 HIS 90 190.600 14.910 9.638 743 HE1 HIS 90 HE1 HIS 90 193.423 17.277 11.742 744 HE2 HIS 90 HE2 HIS 90 191.146 17.220 10.665 745 H LYS 91 HN LYS 91 195.605 14.056 8.245 746 HA LYS 91 HA LYS 91 197.484 12.716 9.945 747 1HB LYS 91 HB2 LYS 91 197.278 11.105 8.064 748 2HB LYS 91 HB1 LYS 91 197.790 12.370 6.956 749 1HG LYS 91 HG2 LYS 91 199.951 12.153 7.504 750 2HG LYS 91 HG1 LYS 91 199.600 11.927 9.219 751 1HD LYS 91 HD2 LYS 91 198.972 9.771 7.236 752 2HD LYS 91 HD1 LYS 91 200.609 9.961 7.866 753 1HE LYS 91 HE2 LYS 91 199.601 8.392 9.287 754 2HE LYS 91 HE1 LYS 91 199.543 9.912 10.181 755 1HZ LYS 91 HZ1 LYS 91 197.449 8.435 10.049 756 2HZ LYS 91 HZ2 LYS 91 197.258 9.106 8.508 757 3HZ LYS 91 HZ3 LYS 91 197.285 10.110 9.870 758 H GLY 92 HN GLY 92 196.521 15.407 9.402 759 1HA GLY 92 HA2 GLY 92 198.416 17.108 9.886 760 2HA GLY 92 HA1 GLY 92 198.896 16.700 8.247 761 H GLU 93 HN GLU 93 198.052 19.250 9.395 762 HA GLU 93 HA GLU 93 195.778 19.771 7.605 763 1HB GLU 93 HB2 GLU 93 195.415 19.860 10.194 764 2HB GLU 93 HB1 GLU 93 196.241 21.406 10.078 765 1HG GLU 93 HG2 GLU 93 194.227 22.267 9.697 766 2HG GLU 93 HG1 GLU 93 194.375 21.579 8.081 767 H ALA 94 HN ALA 94 196.355 22.691 8.741 768 HA ALA 94 HA ALA 94 197.336 24.556 7.883 769 1HB ALA 94 HB1 ALA 94 199.239 23.415 9.101 770 2HB ALA 94 HB2 ALA 94 199.697 24.583 7.861 771 3HB ALA 94 HB3 ALA 94 199.789 22.856 7.521 772 H ARG 95 HN ARG 95 199.139 25.097 5.940 773 HA ARG 95 HA ARG 95 197.668 24.836 3.578 774 1HB ARG 95 HB2 ARG 95 200.276 25.913 4.362 775 2HB ARG 95 HB1 ARG 95 200.241 25.312 2.709 776 1HG ARG 95 HG2 ARG 95 199.539 27.404 2.275 777 2HG ARG 95 HG1 ARG 95 197.968 26.728 2.710 778 1HD ARG 95 HD2 ARG 95 199.751 27.930 4.794 779 2HD ARG 95 HD1 ARG 95 198.726 28.952 3.790 780 HE ARG 95 HE ARG 95 197.349 26.765 5.070 781 1HH1 ARG 95 HH11 ARG 95 198.371 30.092 5.352 782 2HH1 ARG 95 HH12 ARG 95 197.158 30.496 6.518 783 1HH2 ARG 95 HH21 ARG 95 195.754 27.297 6.606 784 2HH2 ARG 95 HH22 ARG 95 195.673 28.909 7.231 785 H ARG 96 HN ARG 96 197.471 23.238 2.147 786 HA ARG 96 HA ARG 96 198.863 20.776 2.544 787 1HB ARG 96 HB2 ARG 96 197.172 19.881 1.373 788 2HB ARG 96 HB1 ARG 96 196.443 21.474 1.448 789 1HG ARG 96 HG2 ARG 96 198.219 20.568 -0.807 790 2HG ARG 96 HG1 ARG 96 196.463 20.402 -0.810 791 1HD ARG 96 HD2 ARG 96 196.113 22.668 -0.975 792 2HD ARG 96 HD1 ARG 96 197.664 23.072 -0.242 793 HE ARG 96 HE ARG 96 198.392 21.914 -2.563 794 1HH1 ARG 96 HH11 ARG 96 196.132 24.467 -1.813 795 2HH1 ARG 96 HH12 ARG 96 196.344 25.269 -3.334 796 1HH2 ARG 96 HH21 ARG 96 198.669 22.968 -4.561 797 2HH2 ARG 96 HH22 ARG 96 197.783 24.418 -4.894 798 H ALA 97 HN ALA 97 199.370 23.556 0.563 799 HA ALA 97 HA ALA 97 201.944 22.817 -0.205 800 1HB ALA 97 HB1 ALA 97 200.210 21.330 -1.656 801 2HB ALA 97 HB2 ALA 97 201.818 21.798 -2.208 802 3HB ALA 97 HB3 ALA 97 200.408 22.729 -2.711 803 H ALA 98 HN ALA 98 199.039 24.602 -1.101 804 HA ALA 98 HA ALA 98 198.700 26.784 -1.650 805 1HB ALA 98 HB1 ALA 98 201.545 27.292 -0.804 806 2HB ALA 98 HB2 ALA 98 200.202 27.142 0.330 807 3HB ALA 98 HB3 ALA 98 200.210 28.443 -0.860 808 H THR 99 HN THR 99 199.032 28.246 -3.367 809 HA THR 99 HA THR 99 200.694 27.144 -5.518 810 HB THR 99 HB THR 99 198.422 27.346 -6.180 811 HG1 THR 99 HG1 THR 99 198.634 28.647 -7.918 812 1HG2 THR 99 HG21 THR 99 197.366 29.692 -6.196 813 2HG2 THR 99 HG22 THR 99 198.524 30.045 -4.912 814 3HG2 THR 99 HG23 THR 99 197.343 28.751 -4.705 815 H SER 100 HN SER 100 201.745 28.788 -3.311 816 HA SER 100 HA SER 100 202.456 31.284 -4.647 817 1HB SER 100 HB2 SER 100 203.029 30.307 -1.841 818 2HB SER 100 HB1 SER 100 203.486 31.888 -2.472 819 HG SER 100 HG SER 100 201.566 32.498 -1.907 820 H VAL 101 HN VAL 101 203.800 28.198 -3.807 821 HA VAL 101 HA VAL 101 206.543 28.988 -4.133 822 HB VAL 101 HB VAL 101 206.289 26.176 -4.576 823 1HG1 VAL 101 HG11 VAL 101 207.073 27.124 -1.907 824 2HG1 VAL 101 HG12 VAL 101 207.946 27.850 -3.256 825 3HG1 VAL 101 HG13 VAL 101 207.937 26.098 -3.052 826 1HG2 VAL 101 HG21 VAL 101 204.082 26.230 -3.617 827 2HG2 VAL 101 HG22 VAL 101 204.654 27.190 -2.252 828 3HG2 VAL 101 HG23 VAL 101 205.195 25.522 -2.447 829 H LYS 102 HN LYS 102 204.557 26.706 -6.028 830 HA LYS 102 HA LYS 102 206.262 27.114 -8.335 831 1HB LYS 102 HB2 LYS 102 204.922 25.374 -9.391 832 2HB LYS 102 HB1 LYS 102 205.441 24.861 -7.791 833 1HG LYS 102 HG2 LYS 102 203.114 25.797 -7.057 834 2HG LYS 102 HG1 LYS 102 202.717 25.574 -8.762 835 1HD LYS 102 HD2 LYS 102 202.638 23.341 -8.564 836 2HD LYS 102 HD1 LYS 102 204.100 23.288 -7.576 837 1HE LYS 102 HE2 LYS 102 201.330 23.997 -6.612 838 2HE LYS 102 HE1 LYS 102 202.159 22.464 -6.341 839 1HZ LYS 102 HZ1 LYS 102 202.652 25.085 -5.124 840 2HZ LYS 102 HZ2 LYS 102 203.962 24.033 -5.322 841 3HZ LYS 102 HZ3 LYS 102 202.622 23.552 -4.408 842 H ASP 103 HN ASP 103 202.928 27.770 -7.367 843 HA ASP 103 HA ASP 103 201.302 29.096 -8.245 844 1HB ASP 103 HB2 ASP 103 202.923 30.842 -7.686 845 2HB ASP 103 HB1 ASP 103 203.702 30.639 -9.251 846 H ALA 104 HN ALA 104 200.649 27.369 -9.673 847 HA ALA 104 HA ALA 104 201.556 27.491 -12.430 848 1HB ALA 104 HB1 ALA 104 200.702 25.408 -12.685 849 2HB ALA 104 HB2 ALA 104 199.286 25.748 -11.691 850 3HB ALA 104 HB3 ALA 104 200.836 25.398 -10.926 851 H ASN 105 HN ASN 105 200.763 29.651 -12.842 852 HA ASN 105 HA ASN 105 197.848 29.898 -13.028 853 1HB ASN 105 HB2 ASN 105 199.432 31.677 -11.961 854 2HB ASN 105 HB1 ASN 105 199.767 32.127 -13.631 855 1HD2 ASN 105 HD21 ASN 105 197.986 32.799 -14.953 856 2HD2 ASN 105 HD22 ASN 105 196.603 33.536 -14.225 857 H PHE 106 HN PHE 106 198.597 28.148 -14.834 858 HA PHE 106 HA PHE 106 199.170 29.501 -17.352 859 1HB PHE 106 HB2 PHE 106 199.260 27.194 -18.286 860 2HB PHE 106 HB1 PHE 106 200.393 27.455 -16.964 861 HD1 PHE 106 HD1 PHE 106 199.986 26.442 -14.766 862 HD2 PHE 106 HD2 PHE 106 197.460 25.642 -18.096 863 HE1 PHE 106 HE1 PHE 106 199.072 24.480 -13.596 864 HE2 PHE 106 HE2 PHE 106 196.538 23.681 -16.932 865 HZ PHE 106 HZ PHE 106 197.344 23.098 -14.679 866 H VAL 107 HN VAL 107 196.784 30.341 -16.397 867 HA VAL 107 HA VAL 107 194.605 28.761 -17.402 868 HB VAL 107 HB VAL 107 194.288 30.252 -15.480 869 1HG1 VAL 107 HG11 VAL 107 194.865 32.409 -15.443 870 2HG1 VAL 107 HG12 VAL 107 194.111 32.728 -17.004 871 3HG1 VAL 107 HG13 VAL 107 195.747 32.076 -16.932 872 1HG2 VAL 107 HG21 VAL 107 192.180 30.045 -16.189 873 2HG2 VAL 107 HG22 VAL 107 192.638 30.261 -17.879 874 3HG2 VAL 107 HG23 VAL 107 192.363 31.669 -16.854 875 H GLU 108 HN GLU 108 194.335 28.513 -19.526 876 HA GLU 108 HA GLU 108 194.457 30.907 -21.224 877 1HB GLU 108 HB2 GLU 108 195.244 28.287 -22.404 878 2HB GLU 108 HB1 GLU 108 195.746 29.910 -22.850 879 1HG GLU 108 HG2 GLU 108 197.671 29.402 -21.865 880 2HG GLU 108 HG1 GLU 108 196.810 29.645 -20.346 881 H GLU 109 HN GLU 109 192.766 31.178 -22.540 882 HA GLU 109 HA GLU 109 190.507 29.454 -22.291 883 1HB GLU 109 HB2 GLU 109 190.902 31.733 -24.238 884 2HB GLU 109 HB1 GLU 109 189.372 31.038 -23.726 885 1HG GLU 109 HG2 GLU 109 190.059 31.759 -21.366 886 2HG GLU 109 HG1 GLU 109 191.260 32.763 -22.174 887 H VAL 110 HN VAL 110 190.215 30.294 -25.430 888 HA VAL 110 HA VAL 110 191.024 27.630 -26.316 889 HB VAL 110 HB VAL 110 188.708 28.388 -26.770 890 1HG1 VAL 110 HG11 VAL 110 188.241 30.382 -27.626 891 2HG1 VAL 110 HG12 VAL 110 189.274 30.083 -29.023 892 3HG1 VAL 110 HG13 VAL 110 189.960 30.768 -27.549 893 1HG2 VAL 110 HG21 VAL 110 190.004 28.153 -29.442 894 2HG2 VAL 110 HG22 VAL 110 188.585 27.327 -28.797 895 3HG2 VAL 110 HG23 VAL 110 190.199 26.838 -28.283 896 H GLU 111 HN GLU 111 192.934 29.868 -25.887 897 HA GLU 111 HA GLU 111 193.788 30.659 -28.528 898 1HB GLU 111 HB2 GLU 111 194.649 31.220 -25.736 899 2HB GLU 111 HB1 GLU 111 195.853 31.406 -27.005 900 1HG GLU 111 HG2 GLU 111 195.027 33.507 -27.013 901 2HG GLU 111 HG1 GLU 111 193.885 32.778 -28.139 902 H GLU 112 HN GLU 112 194.289 28.753 -29.603 903 HA GLU 112 HA GLU 112 195.947 26.721 -28.538 904 1HB GLU 112 HB2 GLU 112 196.161 26.021 -30.959 905 2HB GLU 112 HB1 GLU 112 194.519 26.132 -30.342 906 1HG GLU 112 HG2 GLU 112 194.117 28.151 -31.494 907 2HG GLU 112 HG1 GLU 112 195.827 28.360 -31.867 908 H GLU 113 HN GLU 113 197.634 28.140 -27.644 909 HA GLU 113 HA GLU 113 199.497 29.255 -29.593 910 1HB GLU 113 HB2 GLU 113 199.087 29.528 -26.655 911 2HB GLU 113 HB1 GLU 113 200.708 29.789 -27.283 912 1HG GLU 113 HG2 GLU 113 198.617 31.183 -28.773 913 2HG GLU 113 HG1 GLU 113 198.765 31.685 -27.090 Start of MODEL 15 1 1H MET 1 HT1 MET 1 186.450 0.270 -6.612 2 2H MET 1 HT2 MET 1 185.585 -1.117 -6.087 3 3H MET 1 HT3 MET 1 184.746 0.209 -6.783 4 HA MET 1 HA MET 1 185.550 -0.204 -8.872 5 1HB MET 1 HB2 MET 1 187.880 -0.527 -8.188 6 2HB MET 1 HB1 MET 1 187.481 -2.107 -7.525 7 1HG MET 1 HG2 MET 1 187.145 -3.039 -9.641 8 2HG MET 1 HG1 MET 1 187.030 -1.459 -10.413 9 1HE MET 1 HE1 MET 1 190.501 -3.997 -9.277 10 2HE MET 1 HE2 MET 1 189.762 -4.266 -10.856 11 3HE MET 1 HE3 MET 1 188.771 -4.324 -9.398 12 H THR 2 HN THR 2 185.605 -3.020 -6.678 13 HA THR 2 HA THR 2 183.893 -4.502 -8.500 14 HB THR 2 HB THR 2 184.756 -5.496 -5.804 15 HG1 THR 2 HG1 THR 2 186.355 -5.230 -8.120 16 1HG2 THR 2 HG21 THR 2 183.471 -6.672 -7.994 17 2HG2 THR 2 HG22 THR 2 184.091 -7.463 -6.545 18 3HG2 THR 2 HG23 THR 2 185.113 -7.316 -7.976 19 H MET 3 HN MET 3 181.958 -3.313 -8.344 20 HA MET 3 HA MET 3 180.640 -2.571 -6.012 21 1HB MET 3 HB2 MET 3 180.020 -1.876 -8.328 22 2HB MET 3 HB1 MET 3 179.340 -3.477 -8.587 23 1HG MET 3 HG2 MET 3 177.598 -3.114 -7.087 24 2HG MET 3 HG1 MET 3 178.413 -1.750 -6.325 25 1HE MET 3 HE1 MET 3 176.649 1.080 -7.761 26 2HE MET 3 HE2 MET 3 177.752 0.397 -6.567 27 3HE MET 3 HE3 MET 3 176.068 -0.124 -6.610 28 H ASN 4 HN ASN 4 180.768 -4.171 -4.440 29 HA ASN 4 HA ASN 4 179.380 -6.697 -4.995 30 1HB ASN 4 HB2 ASN 4 181.406 -5.870 -2.934 31 2HB ASN 4 HB1 ASN 4 180.410 -7.301 -2.693 32 1HD2 ASN 4 HD21 ASN 4 181.655 -8.993 -3.051 33 2HD2 ASN 4 HD22 ASN 4 182.684 -9.222 -4.420 34 H ILE 5 HN ILE 5 177.582 -7.310 -3.908 35 HA ILE 5 HA ILE 5 176.640 -5.714 -1.653 36 HB ILE 5 HB ILE 5 174.951 -6.194 -4.115 37 1HG1 ILE 5 HG12 ILE 5 174.919 -3.524 -3.743 38 2HG1 ILE 5 HG11 ILE 5 176.524 -3.886 -3.118 39 1HG2 ILE 5 HG21 ILE 5 174.250 -4.759 -1.557 40 2HG2 ILE 5 HG22 ILE 5 173.690 -6.369 -2.007 41 3HG2 ILE 5 HG23 ILE 5 173.208 -4.968 -2.964 42 1HD1 ILE 5 HD11 ILE 5 176.471 -5.291 -5.464 43 2HD1 ILE 5 HD12 ILE 5 177.188 -3.697 -5.231 44 3HD1 ILE 5 HD13 ILE 5 175.545 -3.843 -5.854 45 H THR 6 HN THR 6 175.892 -7.000 -0.101 46 HA THR 6 HA THR 6 174.846 -9.649 -0.850 47 HB THR 6 HB THR 6 175.895 -9.927 1.724 48 HG1 THR 6 HG1 THR 6 178.014 -9.207 1.511 49 1HG2 THR 6 HG21 THR 6 177.031 -11.663 0.865 50 2HG2 THR 6 HG22 THR 6 177.654 -10.727 -0.494 51 3HG2 THR 6 HG23 THR 6 176.006 -11.357 -0.537 52 H SER 7 HN SER 7 172.766 -8.549 -0.746 53 HA SER 7 HA SER 7 171.858 -7.672 1.871 54 1HB SER 7 HB2 SER 7 170.571 -7.755 -0.855 55 2HB SER 7 HB1 SER 7 169.666 -7.339 0.601 56 HG SER 7 HG SER 7 171.981 -6.008 -0.368 57 H LYS 8 HN LYS 8 170.489 -8.756 3.197 58 HA LYS 8 HA LYS 8 170.045 -11.574 2.567 59 1HB LYS 8 HB2 LYS 8 169.574 -10.137 5.183 60 2HB LYS 8 HB1 LYS 8 169.620 -11.876 4.926 61 1HG LYS 8 HG2 LYS 8 172.012 -11.617 4.224 62 2HG LYS 8 HG1 LYS 8 171.912 -9.937 4.754 63 1HD LYS 8 HD2 LYS 8 172.668 -10.831 6.697 64 2HD LYS 8 HD1 LYS 8 170.947 -11.135 6.943 65 1HE LYS 8 HE2 LYS 8 171.765 -13.328 5.495 66 2HE LYS 8 HE1 LYS 8 173.144 -13.011 6.546 67 1HZ LYS 8 HZ1 LYS 8 170.592 -12.877 7.881 68 2HZ LYS 8 HZ2 LYS 8 172.016 -13.665 8.343 69 3HZ LYS 8 HZ3 LYS 8 170.955 -14.407 7.255 70 H GLN 9 HN GLN 9 168.130 -12.384 2.061 71 HA GLN 9 HA GLN 9 165.971 -12.339 1.288 72 1HB GLN 9 HB2 GLN 9 164.615 -11.477 3.611 73 2HB GLN 9 HB1 GLN 9 164.906 -13.122 3.078 74 1HG GLN 9 HG2 GLN 9 165.987 -13.399 4.991 75 2HG GLN 9 HG1 GLN 9 167.282 -12.435 4.293 76 1HE2 GLN 9 HE21 GLN 9 166.015 -9.945 4.282 77 2HE2 GLN 9 HE22 GLN 9 165.808 -9.427 5.917 78 H MET 10 HN MET 10 167.247 -9.885 0.660 79 HA MET 10 HA MET 10 164.935 -8.288 0.152 80 1HB MET 10 HB2 MET 10 165.289 -7.519 2.407 81 2HB MET 10 HB1 MET 10 167.000 -7.253 2.098 82 1HG MET 10 HG2 MET 10 165.679 -5.175 2.148 83 2HG MET 10 HG1 MET 10 166.511 -5.434 0.617 84 1HE MET 10 HE1 MET 10 163.130 -6.271 2.429 85 2HE MET 10 HE2 MET 10 163.391 -7.648 1.358 86 3HE MET 10 HE3 MET 10 162.060 -6.533 1.053 87 H GLU 11 HN GLU 11 165.702 -8.705 -1.979 88 HA GLU 11 HA GLU 11 168.244 -8.050 -2.941 89 1HB GLU 11 HB2 GLU 11 167.138 -7.936 -5.176 90 2HB GLU 11 HB1 GLU 11 166.764 -9.397 -4.273 91 1HG GLU 11 HG2 GLU 11 164.673 -8.907 -4.937 92 2HG GLU 11 HG1 GLU 11 164.706 -7.890 -3.497 93 H ILE 12 HN ILE 12 168.957 -6.242 -4.197 94 HA ILE 12 HA ILE 12 168.279 -3.741 -3.049 95 HB ILE 12 HB ILE 12 169.839 -4.204 -5.591 96 1HG1 ILE 12 HG12 ILE 12 170.771 -5.540 -3.758 97 2HG1 ILE 12 HG11 ILE 12 171.840 -4.201 -4.164 98 1HG2 ILE 12 HG21 ILE 12 170.435 -2.036 -5.536 99 2HG2 ILE 12 HG22 ILE 12 170.523 -1.996 -3.775 100 3HG2 ILE 12 HG23 ILE 12 168.963 -1.851 -4.583 101 1HD1 ILE 12 HD11 ILE 12 171.889 -3.878 -1.956 102 2HD1 ILE 12 HD12 ILE 12 170.397 -4.780 -1.689 103 3HD1 ILE 12 HD13 ILE 12 170.328 -3.095 -2.206 104 H THR 13 HN THR 13 166.623 -2.471 -3.511 105 HA THR 13 HA THR 13 165.028 -2.923 -5.884 106 HB THR 13 HB THR 13 163.433 -1.444 -4.902 107 HG1 THR 13 HG1 THR 13 163.917 0.012 -3.372 108 1HG2 THR 13 HG21 THR 13 162.943 -3.097 -3.507 109 2HG2 THR 13 HG22 THR 13 163.839 -2.186 -2.291 110 3HG2 THR 13 HG23 THR 13 164.642 -3.462 -3.206 111 HA PRO 14 HA PRO 14 166.545 0.148 -8.646 112 1HB PRO 14 HB2 PRO 14 164.200 1.663 -9.024 113 2HB PRO 14 HB1 PRO 14 164.729 0.285 -9.992 114 1HG PRO 14 HG2 PRO 14 162.765 0.390 -7.758 115 2HG PRO 14 HG1 PRO 14 162.763 -0.622 -9.212 116 1HD PRO 14 HD2 PRO 14 163.419 -1.632 -6.826 117 2HD PRO 14 HD1 PRO 14 164.263 -2.148 -8.300 118 H ALA 15 HN ALA 15 164.484 1.321 -6.019 119 HA ALA 15 HA ALA 15 165.452 3.996 -6.092 120 1HB ALA 15 HB1 ALA 15 164.067 2.500 -3.868 121 2HB ALA 15 HB2 ALA 15 163.285 3.461 -5.122 122 3HB ALA 15 HB3 ALA 15 164.321 4.243 -3.929 123 H ILE 16 HN ILE 16 166.373 1.086 -4.339 124 HA ILE 16 HA ILE 16 168.280 2.446 -2.668 125 HB ILE 16 HB ILE 16 168.007 -0.519 -3.175 126 1HG1 ILE 16 HG12 ILE 16 166.921 0.985 -0.803 127 2HG1 ILE 16 HG11 ILE 16 165.963 0.763 -2.262 128 1HG2 ILE 16 HG21 ILE 16 168.959 -0.263 -0.657 129 2HG2 ILE 16 HG22 ILE 16 169.721 1.122 -1.439 130 3HG2 ILE 16 HG23 ILE 16 169.973 -0.501 -2.080 131 1HD1 ILE 16 HD11 ILE 16 166.495 -1.073 -0.105 132 2HD1 ILE 16 HD12 ILE 16 166.908 -1.772 -1.671 133 3HD1 ILE 16 HD13 ILE 16 165.282 -1.150 -1.384 134 H ARG 17 HN ARG 17 168.442 0.338 -5.527 135 HA ARG 17 HA ARG 17 171.211 0.120 -5.695 136 1HB ARG 17 HB2 ARG 17 170.920 -0.656 -7.896 137 2HB ARG 17 HB1 ARG 17 169.440 -1.111 -7.063 138 1HG ARG 17 HG2 ARG 17 168.542 -0.276 -8.967 139 2HG ARG 17 HG1 ARG 17 168.623 1.216 -8.032 140 1HD ARG 17 HD2 ARG 17 170.575 1.929 -9.154 141 2HD ARG 17 HD1 ARG 17 170.846 0.334 -9.853 142 HE ARG 17 HE ARG 17 169.015 2.374 -10.796 143 1HH1 ARG 17 HH11 ARG 17 169.997 -0.974 -10.969 144 2HH1 ARG 17 HH12 ARG 17 169.270 -1.234 -12.518 145 1HH2 ARG 17 HH21 ARG 17 168.061 2.030 -12.831 146 2HH2 ARG 17 HH22 ARG 17 168.172 0.469 -13.574 147 H GLN 18 HN GLN 18 169.061 2.672 -6.840 148 HA GLN 18 HA GLN 18 171.152 4.109 -8.184 149 1HB GLN 18 HB2 GLN 18 168.681 4.208 -8.745 150 2HB GLN 18 HB1 GLN 18 168.478 5.196 -7.306 151 1HG GLN 18 HG2 GLN 18 168.654 6.484 -9.420 152 2HG GLN 18 HG1 GLN 18 169.852 6.921 -8.202 153 1HE2 GLN 18 HE21 GLN 18 169.850 4.134 -10.359 154 2HE2 GLN 18 HE22 GLN 18 171.295 4.558 -11.205 155 H HIS 19 HN HIS 19 169.553 4.285 -5.049 156 HA HIS 19 HA HIS 19 170.613 6.716 -4.157 157 1HB HIS 19 HB2 HIS 19 169.068 4.594 -3.072 158 2HB HIS 19 HB1 HIS 19 170.401 4.886 -1.963 159 HD1 HIS 19 HD1 HIS 19 168.009 7.161 -3.880 160 HD2 HIS 19 HD2 HIS 19 169.619 6.645 -0.085 161 HE1 HIS 19 HE1 HIS 19 167.016 8.994 -2.473 162 HE2 HIS 19 HE2 HIS 19 167.950 8.620 -0.165 163 H VAL 20 HN VAL 20 171.772 3.404 -3.535 164 HA VAL 20 HA VAL 20 174.159 4.245 -2.244 165 HB VAL 20 HB VAL 20 173.557 1.573 -3.518 166 1HG1 VAL 20 HG11 VAL 20 175.767 1.322 -3.113 167 2HG1 VAL 20 HG12 VAL 20 175.201 1.016 -1.470 168 3HG1 VAL 20 HG13 VAL 20 175.806 2.612 -1.912 169 1HG2 VAL 20 HG21 VAL 20 172.906 0.869 -1.258 170 2HG2 VAL 20 HG22 VAL 20 171.869 2.158 -1.869 171 3HG2 VAL 20 HG23 VAL 20 173.127 2.524 -0.688 172 H ALA 21 HN ALA 21 173.436 3.154 -5.544 173 HA ALA 21 HA ALA 21 176.006 2.993 -6.558 174 1HB ALA 21 HB1 ALA 21 174.152 2.239 -7.863 175 2HB ALA 21 HB2 ALA 21 174.971 3.511 -8.770 176 3HB ALA 21 HB3 ALA 21 173.464 3.862 -7.922 177 H ASP 22 HN ASP 22 173.880 5.845 -6.456 178 HA ASP 22 HA ASP 22 175.677 7.620 -7.692 179 1HB ASP 22 HB2 ASP 22 173.110 7.771 -6.366 180 2HB ASP 22 HB1 ASP 22 174.120 9.143 -5.925 181 H ARG 23 HN ARG 23 174.833 7.411 -4.228 182 HA ARG 23 HA ARG 23 176.813 9.124 -3.296 183 1HB ARG 23 HB2 ARG 23 175.297 6.866 -2.032 184 2HB ARG 23 HB1 ARG 23 176.556 7.700 -1.136 185 1HG ARG 23 HG2 ARG 23 174.485 9.355 -2.463 186 2HG ARG 23 HG1 ARG 23 174.022 8.440 -1.026 187 1HD ARG 23 HD2 ARG 23 176.284 9.488 -0.108 188 2HD ARG 23 HD1 ARG 23 175.906 10.717 -1.313 189 HE ARG 23 HE ARG 23 173.594 10.277 0.160 190 1HH1 ARG 23 HH11 ARG 23 176.827 11.469 0.710 191 2HH1 ARG 23 HH12 ARG 23 176.355 12.516 2.006 192 1HH2 ARG 23 HH21 ARG 23 172.970 11.653 1.864 193 2HH2 ARG 23 HH22 ARG 23 174.166 12.620 2.662 194 H LEU 24 HN LEU 24 176.903 5.582 -3.606 195 HA LEU 24 HA LEU 24 179.426 5.125 -2.550 196 1HB LEU 24 HB2 LEU 24 177.754 3.389 -3.212 197 2HB LEU 24 HB1 LEU 24 178.197 3.663 -4.887 198 HG LEU 24 HG LEU 24 180.379 2.968 -2.988 199 1HD1 LEU 24 HD11 LEU 24 178.276 1.041 -3.948 200 2HD1 LEU 24 HD12 LEU 24 178.786 1.356 -2.289 201 3HD1 LEU 24 HD13 LEU 24 179.878 0.540 -3.408 202 1HD2 LEU 24 HD21 LEU 24 180.281 3.403 -5.652 203 2HD2 LEU 24 HD22 LEU 24 180.063 1.654 -5.603 204 3HD2 LEU 24 HD23 LEU 24 181.486 2.385 -4.861 205 H ALA 25 HN ALA 25 178.496 6.155 -5.787 206 HA ALA 25 HA ALA 25 181.017 5.890 -7.011 207 1HB ALA 25 HB1 ALA 25 178.543 6.518 -7.902 208 2HB ALA 25 HB2 ALA 25 180.020 6.747 -8.840 209 3HB ALA 25 HB3 ALA 25 179.320 8.101 -7.950 210 H LYS 26 HN LYS 26 179.501 8.542 -5.241 211 HA LYS 26 HA LYS 26 181.415 10.521 -5.739 212 1HB LYS 26 HB2 LYS 26 179.321 11.143 -4.770 213 2HB LYS 26 HB1 LYS 26 179.560 10.065 -3.402 214 1HG LYS 26 HG2 LYS 26 179.882 12.397 -2.779 215 2HG LYS 26 HG1 LYS 26 181.370 11.468 -2.586 216 1HD LYS 26 HD2 LYS 26 182.298 13.185 -3.709 217 2HD LYS 26 HD1 LYS 26 181.653 12.359 -5.129 218 1HE LYS 26 HE2 LYS 26 180.237 14.532 -3.589 219 2HE LYS 26 HE1 LYS 26 181.119 14.768 -5.097 220 1HZ LYS 26 HZ1 LYS 26 179.566 13.070 -6.075 221 2HZ LYS 26 HZ2 LYS 26 178.862 14.553 -5.671 222 3HZ LYS 26 HZ3 LYS 26 178.637 13.210 -4.670 223 H LEU 27 HN LEU 27 181.257 8.027 -3.239 224 HA LEU 27 HA LEU 27 183.471 8.873 -1.732 225 1HB LEU 27 HB2 LEU 27 181.791 6.487 -1.922 226 2HB LEU 27 HB1 LEU 27 183.441 6.131 -1.448 227 HG LEU 27 HG LEU 27 181.964 8.300 -0.019 228 1HD1 LEU 27 HD11 LEU 27 180.830 6.843 1.399 229 2HD1 LEU 27 HD12 LEU 27 181.757 5.443 0.860 230 3HD1 LEU 27 HD13 LEU 27 180.549 6.161 -0.203 231 1HD2 LEU 27 HD21 LEU 27 184.279 8.055 0.511 232 2HD2 LEU 27 HD22 LEU 27 184.106 6.312 0.713 233 3HD2 LEU 27 HD23 LEU 27 183.346 7.413 1.862 234 H GLU 28 HN GLU 28 183.257 7.281 -4.781 235 HA GLU 28 HA GLU 28 185.727 5.945 -4.819 236 1HB GLU 28 HB2 GLU 28 184.246 7.171 -7.150 237 2HB GLU 28 HB1 GLU 28 185.490 5.933 -7.248 238 1HG GLU 28 HG2 GLU 28 182.918 5.534 -5.753 239 2HG GLU 28 HG1 GLU 28 183.102 5.154 -7.465 240 H LYS 29 HN LYS 29 184.963 9.296 -5.015 241 HA LYS 29 HA LYS 29 187.411 10.043 -6.342 242 1HB LYS 29 HB2 LYS 29 185.024 11.273 -6.139 243 2HB LYS 29 HB1 LYS 29 185.876 12.075 -4.826 244 1HG LYS 29 HG2 LYS 29 187.691 12.624 -6.462 245 2HG LYS 29 HG1 LYS 29 186.635 12.009 -7.734 246 1HD LYS 29 HD2 LYS 29 185.969 14.165 -7.844 247 2HD LYS 29 HD1 LYS 29 184.942 13.694 -6.487 248 1HE LYS 29 HE2 LYS 29 186.824 14.413 -4.970 249 2HE LYS 29 HE1 LYS 29 187.599 15.107 -6.394 250 1HZ LYS 29 HZ1 LYS 29 186.181 16.639 -4.984 251 2HZ LYS 29 HZ2 LYS 29 184.838 15.830 -5.619 252 3HZ LYS 29 HZ3 LYS 29 185.891 16.659 -6.650 253 H TRP 30 HN TRP 30 186.298 9.682 -3.060 254 HA TRP 30 HA TRP 30 188.073 11.228 -1.636 255 1HB TRP 30 HB2 TRP 30 186.775 8.585 -1.117 256 2HB TRP 30 HB1 TRP 30 188.023 9.138 -0.009 257 HD1 TRP 30 HD1 TRP 30 184.656 10.426 -1.446 258 HE1 TRP 30 HE1 TRP 30 183.504 11.826 0.381 259 HE3 TRP 30 HE3 TRP 30 188.315 10.271 2.120 260 HZ2 TRP 30 HZ2 TRP 30 184.072 12.740 2.994 261 HZ3 TRP 30 HZ3 TRP 30 187.933 11.435 4.253 262 HH2 TRP 30 HH2 TRP 30 185.857 12.645 4.678 263 H GLN 31 HN GLN 31 190.109 10.627 -0.539 264 HA GLN 31 HA GLN 31 191.998 9.592 -2.396 265 1HB GLN 31 HB2 GLN 31 192.246 10.308 0.522 266 2HB GLN 31 HB1 GLN 31 193.603 9.815 -0.479 267 1HG GLN 31 HG2 GLN 31 191.907 12.068 -1.409 268 2HG GLN 31 HG1 GLN 31 193.033 12.349 -0.082 269 1HE2 GLN 31 HE21 GLN 31 195.229 11.067 -0.652 270 2HE2 GLN 31 HE22 GLN 31 195.899 11.542 -2.172 271 H THR 32 HN THR 32 190.629 7.538 -2.553 272 HA THR 32 HA THR 32 191.987 5.477 -0.994 273 HB THR 32 HB THR 32 190.215 5.174 0.357 274 HG1 THR 32 HG1 THR 32 189.697 3.412 -0.788 275 1HG2 THR 32 HG21 THR 32 188.945 7.149 -1.374 276 2HG2 THR 32 HG22 THR 32 188.860 6.941 0.374 277 3HG2 THR 32 HG23 THR 32 187.827 5.977 -0.678 278 H HIS 33 HN HIS 33 189.311 5.835 -3.274 279 HA HIS 33 HA HIS 33 189.264 5.263 -5.537 280 1HB HIS 33 HB2 HIS 33 191.556 3.392 -4.885 281 2HB HIS 33 HB1 HIS 33 190.789 3.524 -6.459 282 HD1 HIS 33 HD1 HIS 33 191.639 5.293 -7.998 283 HD2 HIS 33 HD2 HIS 33 192.963 5.830 -4.096 284 HE1 HIS 33 HE1 HIS 33 193.322 7.157 -8.108 285 HE2 HIS 33 HE2 HIS 33 194.071 7.499 -5.728 286 H LEU 34 HN LEU 34 189.426 3.055 -2.856 287 HA LEU 34 HA LEU 34 188.172 1.259 -2.257 288 1HB LEU 34 HB2 LEU 34 186.221 2.264 -4.330 289 2HB LEU 34 HB1 LEU 34 185.865 1.175 -3.003 290 HG LEU 34 HG LEU 34 185.008 3.313 -2.416 291 1HD1 LEU 34 HD11 LEU 34 187.103 2.084 -0.916 292 2HD1 LEU 34 HD12 LEU 34 185.682 2.953 -0.339 293 3HD1 LEU 34 HD13 LEU 34 187.169 3.831 -0.684 294 1HD2 LEU 34 HD21 LEU 34 186.661 4.449 -4.069 295 2HD2 LEU 34 HD22 LEU 34 187.680 4.618 -2.643 296 3HD2 LEU 34 HD23 LEU 34 186.071 5.339 -2.665 297 H ILE 35 HN ILE 35 188.026 -0.880 -2.758 298 HA ILE 35 HA ILE 35 188.385 -1.627 -5.586 299 HB ILE 35 HB ILE 35 189.657 -3.337 -3.506 300 1HG1 ILE 35 HG12 ILE 35 191.712 -1.655 -4.390 301 2HG1 ILE 35 HG11 ILE 35 190.402 -0.568 -3.952 302 1HG2 ILE 35 HG21 ILE 35 189.841 -4.284 -5.591 303 2HG2 ILE 35 HG22 ILE 35 191.363 -3.401 -5.481 304 3HG2 ILE 35 HG23 ILE 35 190.017 -2.729 -6.402 305 1HD1 ILE 35 HD11 ILE 35 192.219 -1.980 -2.266 306 2HD1 ILE 35 HD12 ILE 35 190.561 -2.452 -1.889 307 3HD1 ILE 35 HD13 ILE 35 191.027 -0.750 -1.844 308 H ASN 36 HN ASN 36 187.629 -2.910 -2.355 309 HA ASN 36 HA ASN 36 185.750 -4.785 -3.626 310 1HB ASN 36 HB2 ASN 36 187.659 -5.748 -2.320 311 2HB ASN 36 HB1 ASN 36 186.983 -4.997 -0.879 312 1HD2 ASN 36 HD21 ASN 36 187.415 -7.826 -1.595 313 2HD2 ASN 36 HD22 ASN 36 185.875 -8.587 -1.409 314 HA PRO 37 HA PRO 37 183.235 -1.705 -1.115 315 1HB PRO 37 HB2 PRO 37 181.521 -1.001 -3.088 316 2HB PRO 37 HB1 PRO 37 183.073 -0.190 -2.843 317 1HG PRO 37 HG2 PRO 37 182.349 -2.338 -4.800 318 2HG PRO 37 HG1 PRO 37 183.300 -0.864 -5.061 319 1HD PRO 37 HD2 PRO 37 184.448 -3.289 -4.699 320 2HD PRO 37 HD1 PRO 37 185.206 -1.781 -4.148 321 H HIS 38 HN HIS 38 182.164 -3.152 0.149 322 HA HIS 38 HA HIS 38 180.192 -4.915 -1.132 323 1HB HIS 38 HB2 HIS 38 182.072 -5.310 0.985 324 2HB HIS 38 HB1 HIS 38 180.448 -5.517 1.635 325 HD1 HIS 38 HD1 HIS 38 183.034 -7.420 0.161 326 HD2 HIS 38 HD2 HIS 38 178.899 -7.357 -0.248 327 HE1 HIS 38 HE1 HIS 38 182.422 -9.653 -0.821 328 HE2 HIS 38 HE2 HIS 38 179.908 -9.623 -0.981 329 H ILE 39 HN ILE 39 178.065 -5.000 -0.409 330 HA ILE 39 HA ILE 39 177.212 -3.006 1.559 331 HB ILE 39 HB ILE 39 175.924 -3.275 -1.161 332 1HG1 ILE 39 HG12 ILE 39 178.142 -2.139 -1.207 333 2HG1 ILE 39 HG11 ILE 39 176.809 -1.080 -1.658 334 1HG2 ILE 39 HG21 ILE 39 175.152 -1.949 1.351 335 2HG2 ILE 39 HG22 ILE 39 174.153 -2.545 0.024 336 3HG2 ILE 39 HG23 ILE 39 174.961 -0.983 -0.114 337 1HD1 ILE 39 HD11 ILE 39 178.612 -0.159 -0.104 338 2HD1 ILE 39 HD12 ILE 39 177.858 -1.152 1.143 339 3HD1 ILE 39 HD13 ILE 39 176.927 0.111 0.336 340 H ILE 40 HN ILE 40 176.242 -4.217 3.063 341 HA ILE 40 HA ILE 40 174.564 -6.466 2.194 342 HB ILE 40 HB ILE 40 175.772 -5.888 4.902 343 1HG1 ILE 40 HG12 ILE 40 176.806 -8.242 4.242 344 2HG1 ILE 40 HG11 ILE 40 176.497 -7.659 2.610 345 1HG2 ILE 40 HG21 ILE 40 173.648 -7.731 4.054 346 2HG2 ILE 40 HG22 ILE 40 174.022 -7.084 5.652 347 3HG2 ILE 40 HG23 ILE 40 174.927 -8.462 5.025 348 1HD1 ILE 40 HD11 ILE 40 178.298 -6.485 4.697 349 2HD1 ILE 40 HD12 ILE 40 177.789 -5.581 3.271 350 3HD1 ILE 40 HD13 ILE 40 178.712 -7.073 3.087 351 H LEU 41 HN LEU 41 172.816 -5.030 1.619 352 HA LEU 41 HA LEU 41 171.509 -3.622 3.816 353 1HB LEU 41 HB2 LEU 41 171.692 -2.411 1.741 354 2HB LEU 41 HB1 LEU 41 170.947 -3.728 0.856 355 HG LEU 41 HG LEU 41 169.115 -2.948 2.877 356 1HD1 LEU 41 HD11 LEU 41 169.739 -0.568 1.191 357 2HD1 LEU 41 HD12 LEU 41 170.615 -0.824 2.700 358 3HD1 LEU 41 HD13 LEU 41 168.858 -0.669 2.715 359 1HD2 LEU 41 HD21 LEU 41 168.418 -3.921 0.818 360 2HD2 LEU 41 HD22 LEU 41 169.175 -2.632 -0.117 361 3HD2 LEU 41 HD23 LEU 41 167.759 -2.286 0.878 362 H SER 42 HN SER 42 170.464 -5.048 5.098 363 HA SER 42 HA SER 42 168.622 -6.950 3.801 364 1HB SER 42 HB2 SER 42 169.683 -7.133 6.624 365 2HB SER 42 HB1 SER 42 168.836 -8.380 5.708 366 HG SER 42 HG SER 42 171.356 -7.295 4.982 367 H LYS 43 HN LYS 43 166.505 -7.129 4.551 368 HA LYS 43 HA LYS 43 165.543 -4.777 6.008 369 1HB LYS 43 HB2 LYS 43 164.625 -5.588 3.714 370 2HB LYS 43 HB1 LYS 43 163.769 -6.791 4.666 371 1HG LYS 43 HG2 LYS 43 162.921 -4.788 6.041 372 2HG LYS 43 HG1 LYS 43 163.450 -3.817 4.667 373 1HD LYS 43 HD2 LYS 43 161.774 -4.546 3.343 374 2HD LYS 43 HD1 LYS 43 161.841 -6.187 3.990 375 1HE LYS 43 HE2 LYS 43 159.778 -5.431 4.731 376 2HE LYS 43 HE1 LYS 43 160.823 -5.134 6.120 377 1HZ LYS 43 HZ1 LYS 43 160.342 -2.989 6.019 378 2HZ LYS 43 HZ2 LYS 43 159.248 -3.296 4.768 379 3HZ LYS 43 HZ3 LYS 43 160.849 -2.889 4.409 380 H GLU 44 HN GLU 44 165.793 -5.252 8.151 381 HA GLU 44 HA GLU 44 164.857 -7.809 9.173 382 1HB GLU 44 HB2 GLU 44 166.945 -6.265 9.917 383 2HB GLU 44 HB1 GLU 44 165.733 -5.706 11.061 384 1HG GLU 44 HG2 GLU 44 165.815 -7.592 12.250 385 2HG GLU 44 HG1 GLU 44 165.859 -8.610 10.812 386 HA PRO 45 HA PRO 45 160.724 -6.782 10.293 387 1HB PRO 45 HB2 PRO 45 161.594 -7.666 13.017 388 2HB PRO 45 HB1 PRO 45 160.138 -8.092 12.113 389 1HG PRO 45 HG2 PRO 45 162.199 -9.775 12.253 390 2HG PRO 45 HG1 PRO 45 161.258 -9.603 10.761 391 1HD PRO 45 HD2 PRO 45 163.993 -8.656 11.389 392 2HD PRO 45 HD1 PRO 45 163.276 -9.075 9.822 393 H GLN 46 HN GLN 46 163.226 -5.851 12.646 394 HA GLN 46 HA GLN 46 161.576 -3.569 13.441 395 1HB GLN 46 HB2 GLN 46 162.860 -5.320 14.991 396 2HB GLN 46 HB1 GLN 46 164.153 -4.143 14.796 397 1HG GLN 46 HG2 GLN 46 163.229 -3.134 16.555 398 2HG GLN 46 HG1 GLN 46 162.043 -2.536 15.395 399 1HE2 GLN 46 HE21 GLN 46 160.275 -4.286 14.951 400 2HE2 GLN 46 HE22 GLN 46 159.566 -4.965 16.373 401 H GLY 47 HN GLY 47 162.829 -3.431 10.878 402 1HA GLY 47 HA2 GLY 47 163.555 -1.138 10.207 403 2HA GLY 47 HA1 GLY 47 164.823 -1.312 11.404 404 H PHE 48 HN PHE 48 165.438 -0.601 8.871 405 HA PHE 48 HA PHE 48 166.226 -2.889 7.297 406 1HB PHE 48 HB2 PHE 48 165.948 -0.062 6.893 407 2HB PHE 48 HB1 PHE 48 167.578 -0.539 6.438 408 HD1 PHE 48 HD1 PHE 48 167.532 -2.904 5.062 409 HD2 PHE 48 HD2 PHE 48 164.459 0.035 5.180 410 HE1 PHE 48 HE1 PHE 48 166.701 -3.692 2.886 411 HE2 PHE 48 HE2 PHE 48 163.618 -0.748 3.006 412 HZ PHE 48 HZ PHE 48 164.740 -2.615 1.854 413 H VAL 49 HN VAL 49 167.959 -4.073 7.837 414 HA VAL 49 HA VAL 49 170.115 -2.834 9.376 415 HB VAL 49 HB VAL 49 169.563 -5.737 8.738 416 1HG1 VAL 49 HG11 VAL 49 171.804 -5.913 9.010 417 2HG1 VAL 49 HG12 VAL 49 171.373 -5.841 10.718 418 3HG1 VAL 49 HG13 VAL 49 171.927 -4.388 9.888 419 1HG2 VAL 49 HG21 VAL 49 168.028 -4.697 10.357 420 2HG2 VAL 49 HG22 VAL 49 169.410 -4.227 11.345 421 3HG2 VAL 49 HG23 VAL 49 169.042 -5.935 11.098 422 H ALA 50 HN ALA 50 171.245 -1.670 7.860 423 HA ALA 50 HA ALA 50 172.288 -3.111 5.527 424 1HB ALA 50 HB1 ALA 50 172.814 -0.950 4.592 425 2HB ALA 50 HB2 ALA 50 172.381 -0.154 6.105 426 3HB ALA 50 HB3 ALA 50 171.138 -0.954 5.143 427 H ASP 51 HN ASP 51 174.166 -4.091 5.874 428 HA ASP 51 HA ASP 51 176.143 -2.784 7.615 429 1HB ASP 51 HB2 ASP 51 175.241 -5.500 7.394 430 2HB ASP 51 HB1 ASP 51 176.958 -5.432 7.012 431 H ALA 52 HN ALA 52 176.887 -1.372 5.959 432 HA ALA 52 HA ALA 52 177.941 -2.426 3.501 433 1HB ALA 52 HB1 ALA 52 176.987 -0.063 3.962 434 2HB ALA 52 HB2 ALA 52 178.376 -0.232 2.891 435 3HB ALA 52 HB3 ALA 52 178.607 0.292 4.558 436 H THR 53 HN THR 53 180.225 -2.011 2.854 437 HA THR 53 HA THR 53 182.259 -1.654 4.776 438 HB THR 53 HB THR 53 181.609 -3.829 5.595 439 HG1 THR 53 HG1 THR 53 183.938 -4.099 4.003 440 1HG2 THR 53 HG21 THR 53 182.231 -5.063 2.944 441 2HG2 THR 53 HG22 THR 53 180.594 -4.565 3.371 442 3HG2 THR 53 HG23 THR 53 181.429 -5.776 4.345 443 H ILE 54 HN ILE 54 183.440 -0.450 3.400 444 HA ILE 54 HA ILE 54 184.038 -1.558 0.741 445 HB ILE 54 HB ILE 54 184.648 1.253 1.624 446 1HG1 ILE 54 HG12 ILE 54 182.104 0.240 0.333 447 2HG1 ILE 54 HG11 ILE 54 182.247 0.875 1.969 448 1HG2 ILE 54 HG21 ILE 54 184.417 -0.164 -1.011 449 2HG2 ILE 54 HG22 ILE 54 185.790 0.722 -0.351 450 3HG2 ILE 54 HG23 ILE 54 184.356 1.595 -0.887 451 1HD1 ILE 54 HD11 ILE 54 183.093 2.587 -0.308 452 2HD1 ILE 54 HD12 ILE 54 182.423 3.039 1.259 453 3HD1 ILE 54 HD13 ILE 54 181.372 2.369 0.011 454 H ASN 55 HN ASN 55 186.132 -1.853 0.045 455 HA ASN 55 HA ASN 55 188.149 -1.888 2.165 456 1HB ASN 55 HB2 ASN 55 187.561 -3.922 0.679 457 2HB ASN 55 HB1 ASN 55 188.503 -3.100 -0.562 458 1HD2 ASN 55 HD21 ASN 55 190.717 -2.445 0.092 459 2HD2 ASN 55 HD22 ASN 55 191.607 -3.526 1.105 460 H THR 56 HN THR 56 189.019 0.115 2.274 461 HA THR 56 HA THR 56 189.881 1.465 -0.168 462 HB THR 56 HB THR 56 190.082 3.416 1.110 463 HG1 THR 56 HG1 THR 56 191.065 3.300 2.936 464 1HG2 THR 56 HG21 THR 56 188.057 2.219 2.907 465 2HG2 THR 56 HG22 THR 56 187.711 2.270 1.179 466 3HG2 THR 56 HG23 THR 56 188.050 3.762 2.055 467 HA PRO 57 HA PRO 57 194.143 0.353 0.040 468 1HB PRO 57 HB2 PRO 57 195.419 2.798 -0.140 469 2HB PRO 57 HB1 PRO 57 194.785 1.887 -1.515 470 1HG PRO 57 HG2 PRO 57 193.553 4.166 -0.021 471 2HG PRO 57 HG1 PRO 57 193.583 3.853 -1.766 472 1HD PRO 57 HD2 PRO 57 191.396 3.352 -0.316 473 2HD PRO 57 HD1 PRO 57 191.885 2.268 -1.637 474 H ASN 58 HN ASN 58 192.841 2.584 2.336 475 HA ASN 58 HA ASN 58 195.201 2.341 4.052 476 1HB ASN 58 HB2 ASN 58 193.351 4.433 3.572 477 2HB ASN 58 HB1 ASN 58 193.123 3.924 5.242 478 1HD2 ASN 58 HD21 ASN 58 195.317 3.513 6.380 479 2HD2 ASN 58 HD22 ASN 58 196.484 4.773 6.187 480 H GLY 59 HN GLY 59 191.916 1.254 3.744 481 1HA GLY 59 HA2 GLY 59 192.147 -0.860 5.510 482 2HA GLY 59 HA1 GLY 59 191.532 0.483 6.462 483 H VAL 60 HN VAL 60 189.681 -0.987 6.758 484 HA VAL 60 HA VAL 60 187.837 -0.873 4.461 485 HB VAL 60 HB VAL 60 187.712 -2.852 6.733 486 1HG1 VAL 60 HG11 VAL 60 186.170 -4.049 5.224 487 2HG1 VAL 60 HG12 VAL 60 186.279 -2.707 4.084 488 3HG1 VAL 60 HG13 VAL 60 185.572 -2.453 5.680 489 1HG2 VAL 60 HG21 VAL 60 189.475 -2.802 4.486 490 2HG2 VAL 60 HG22 VAL 60 188.342 -4.140 4.301 491 3HG2 VAL 60 HG23 VAL 60 189.330 -4.018 5.756 492 H LEU 61 HN LEU 61 185.871 0.039 4.727 493 HA LEU 61 HA LEU 61 185.277 1.170 7.380 494 1HB LEU 61 HB2 LEU 61 183.753 2.301 5.186 495 2HB LEU 61 HB1 LEU 61 184.734 3.098 6.396 496 HG LEU 61 HG LEU 61 185.788 1.863 3.854 497 1HD1 LEU 61 HD11 LEU 61 185.726 4.785 4.477 498 2HD1 LEU 61 HD12 LEU 61 184.327 3.990 3.750 499 3HD1 LEU 61 HD13 LEU 61 185.881 3.976 2.917 500 1HD2 LEU 61 HD21 LEU 61 187.644 1.799 5.161 501 2HD2 LEU 61 HD22 LEU 61 187.061 3.064 6.242 502 3HD2 LEU 61 HD23 LEU 61 187.735 3.490 4.669 503 H VAL 62 HN VAL 62 183.982 -0.377 8.314 504 HA VAL 62 HA VAL 62 181.764 -1.473 6.778 505 HB VAL 62 HB VAL 62 183.140 -2.964 8.229 506 1HG1 VAL 62 HG11 VAL 62 183.206 -1.159 10.102 507 2HG1 VAL 62 HG12 VAL 62 183.152 -2.867 10.535 508 3HG1 VAL 62 HG13 VAL 62 181.684 -1.893 10.609 509 1HG2 VAL 62 HG21 VAL 62 180.210 -2.731 8.279 510 2HG2 VAL 62 HG22 VAL 62 180.908 -3.783 9.512 511 3HG2 VAL 62 HG23 VAL 62 181.238 -4.084 7.804 512 H ALA 63 HN ALA 63 180.169 0.008 6.574 513 HA ALA 63 HA ALA 63 179.351 1.573 8.899 514 1HB ALA 63 HB1 ALA 63 177.738 2.526 7.056 515 2HB ALA 63 HB2 ALA 63 178.907 1.782 5.967 516 3HB ALA 63 HB3 ALA 63 179.434 3.005 7.122 517 H SER 64 HN SER 64 177.596 1.158 10.075 518 HA SER 64 HA SER 64 175.743 -0.916 9.111 519 1HB SER 64 HB2 SER 64 175.805 -0.108 11.981 520 2HB SER 64 HB1 SER 64 175.498 -1.688 11.263 521 HG SER 64 HG SER 64 177.671 -1.051 12.376 522 H GLY 65 HN GLY 65 174.023 0.035 8.199 523 1HA GLY 65 HA2 GLY 65 172.916 2.452 9.460 524 2HA GLY 65 HA1 GLY 65 172.621 1.941 7.804 525 H LYS 66 HN LYS 66 171.539 1.827 11.036 526 HA LYS 66 HA LYS 66 169.498 -0.174 10.344 527 1HB LYS 66 HB2 LYS 66 171.147 0.041 12.595 528 2HB LYS 66 HB1 LYS 66 169.555 0.544 13.148 529 1HG LYS 66 HG2 LYS 66 168.943 -1.684 11.720 530 2HG LYS 66 HG1 LYS 66 170.532 -2.102 12.361 531 1HD LYS 66 HD2 LYS 66 169.820 -1.980 14.559 532 2HD LYS 66 HD1 LYS 66 168.461 -0.925 14.166 533 1HE LYS 66 HE2 LYS 66 168.658 -3.807 13.309 534 2HE LYS 66 HE1 LYS 66 167.831 -3.272 14.772 535 1HZ LYS 66 HZ1 LYS 66 166.212 -3.491 13.079 536 2HZ LYS 66 HZ2 LYS 66 167.135 -2.614 11.966 537 3HZ LYS 66 HZ3 LYS 66 166.449 -1.830 13.297 538 H HIS 67 HN HIS 67 167.680 0.750 9.653 539 HA HIS 67 HA HIS 67 166.320 2.660 11.325 540 1HB HIS 67 HB2 HIS 67 167.983 3.897 9.687 541 2HB HIS 67 HB1 HIS 67 166.696 3.614 8.519 542 HD1 HIS 67 HD1 HIS 67 167.181 5.237 11.917 543 HD2 HIS 67 HD2 HIS 67 164.696 5.454 8.594 544 HE1 HIS 67 HE1 HIS 67 165.684 7.215 12.326 545 HE2 HIS 67 HE2 HIS 67 164.136 7.279 10.339 546 H GLU 68 HN GLU 68 164.119 2.785 10.914 547 HA GLU 68 HA GLU 68 162.944 0.557 9.656 548 1HB GLU 68 HB2 GLU 68 162.022 2.044 11.549 549 2HB GLU 68 HB1 GLU 68 161.455 3.097 10.259 550 1HG GLU 68 HG2 GLU 68 159.601 1.855 10.389 551 2HG GLU 68 HG1 GLU 68 160.517 0.717 9.400 552 H ASP 69 HN ASP 69 163.873 3.652 8.441 553 HA ASP 69 HA ASP 69 162.219 3.326 6.054 554 1HB ASP 69 HB2 ASP 69 164.058 5.622 6.727 555 2HB ASP 69 HB1 ASP 69 162.792 5.593 5.504 556 H MET 70 HN MET 70 163.031 3.058 4.020 557 HA MET 70 HA MET 70 165.495 1.680 3.772 558 1HB MET 70 HB2 MET 70 163.686 1.108 2.309 559 2HB MET 70 HB1 MET 70 163.547 2.762 1.734 560 1HG MET 70 HG2 MET 70 166.181 1.970 1.181 561 2HG MET 70 HG1 MET 70 165.152 0.610 0.734 562 1HE MET 70 HE1 MET 70 162.430 2.867 -1.158 563 2HE MET 70 HE2 MET 70 162.621 1.749 0.193 564 3HE MET 70 HE3 MET 70 162.928 1.203 -1.457 565 H TYR 71 HN TYR 71 164.474 4.698 2.160 566 HA TYR 71 HA TYR 71 166.989 5.431 1.241 567 1HB TYR 71 HB2 TYR 71 164.423 6.846 1.688 568 2HB TYR 71 HB1 TYR 71 165.857 7.854 1.520 569 HD1 TYR 71 HD1 TYR 71 164.534 8.715 -0.504 570 HD2 TYR 71 HD2 TYR 71 166.122 4.773 -0.279 571 HE1 TYR 71 HE1 TYR 71 164.391 8.520 -2.951 572 HE2 TYR 71 HE2 TYR 71 165.989 4.568 -2.717 573 HH TYR 71 HH TYR 71 164.310 6.865 -4.666 574 H THR 72 HN THR 72 165.447 6.182 4.339 575 HA THR 72 HA THR 72 167.444 7.962 5.245 576 HB THR 72 HB THR 72 165.874 6.192 7.097 577 HG1 THR 72 HG1 THR 72 164.129 7.614 6.839 578 1HG2 THR 72 HG21 THR 72 167.414 8.565 7.407 579 2HG2 THR 72 HG22 THR 72 166.580 7.609 8.632 580 3HG2 THR 72 HG23 THR 72 165.729 8.910 7.798 581 H ALA 73 HN ALA 73 167.158 4.479 5.246 582 HA ALA 73 HA ALA 73 169.271 3.942 7.063 583 1HB ALA 73 HB1 ALA 73 169.222 1.658 6.043 584 2HB ALA 73 HB2 ALA 73 168.009 2.253 4.910 585 3HB ALA 73 HB3 ALA 73 167.662 2.227 6.638 586 H ILE 74 HN ILE 74 169.125 4.629 3.647 587 HA ILE 74 HA ILE 74 171.776 3.736 3.040 588 HB ILE 74 HB ILE 74 170.720 5.891 1.334 589 1HG1 ILE 74 HG12 ILE 74 168.606 4.734 2.033 590 2HG1 ILE 74 HG11 ILE 74 168.943 4.637 0.312 591 1HG2 ILE 74 HG21 ILE 74 171.434 3.106 0.504 592 2HG2 ILE 74 HG22 ILE 74 172.676 4.272 0.957 593 3HG2 ILE 74 HG23 ILE 74 171.595 4.616 -0.393 594 1HD1 ILE 74 HD11 ILE 74 168.318 2.498 0.707 595 2HD1 ILE 74 HD12 ILE 74 168.927 2.503 2.365 596 3HD1 ILE 74 HD13 ILE 74 170.049 2.349 1.011 597 H ASN 75 HN ASN 75 170.321 6.922 3.621 598 HA ASN 75 HA ASN 75 172.599 8.483 3.304 599 1HB ASN 75 HB2 ASN 75 170.142 8.849 5.013 600 2HB ASN 75 HB1 ASN 75 171.405 10.073 4.909 601 1HD2 ASN 75 HD21 ASN 75 168.977 8.306 3.116 602 2HD2 ASN 75 HD22 ASN 75 168.846 9.432 1.812 603 H GLU 76 HN GLU 76 171.230 7.277 6.378 604 HA GLU 76 HA GLU 76 173.246 8.147 8.064 605 1HB GLU 76 HB2 GLU 76 171.092 6.181 8.178 606 2HB GLU 76 HB1 GLU 76 172.471 5.731 9.171 607 1HG GLU 76 HG2 GLU 76 172.294 8.203 10.003 608 2HG GLU 76 HG1 GLU 76 170.638 8.062 9.412 609 H LEU 77 HN LEU 77 173.028 5.098 6.269 610 HA LEU 77 HA LEU 77 175.310 3.852 7.269 611 1HB LEU 77 HB2 LEU 77 173.644 2.719 5.887 612 2HB LEU 77 HB1 LEU 77 174.111 3.688 4.503 613 HG LEU 77 HG LEU 77 176.273 2.113 5.764 614 1HD1 LEU 77 HD11 LEU 77 175.025 0.369 3.934 615 2HD1 LEU 77 HD12 LEU 77 173.792 0.875 5.088 616 3HD1 LEU 77 HD13 LEU 77 175.285 0.132 5.661 617 1HD2 LEU 77 HD21 LEU 77 176.433 3.574 3.699 618 2HD2 LEU 77 HD22 LEU 77 175.477 2.343 2.876 619 3HD2 LEU 77 HD23 LEU 77 177.054 1.931 3.548 620 H ILE 78 HN ILE 78 174.949 6.041 4.503 621 HA ILE 78 HA ILE 78 177.604 5.927 3.612 622 HB ILE 78 HB ILE 78 175.297 7.179 2.764 623 1HG1 ILE 78 HG12 ILE 78 177.142 6.199 1.413 624 2HG1 ILE 78 HG11 ILE 78 176.565 7.742 0.794 625 1HG2 ILE 78 HG21 ILE 78 175.762 9.126 4.180 626 2HG2 ILE 78 HG22 ILE 78 175.808 9.529 2.464 627 3HG2 ILE 78 HG23 ILE 78 177.312 9.338 3.365 628 1HD1 ILE 78 HD11 ILE 78 179.040 7.436 0.765 629 2HD1 ILE 78 HD12 ILE 78 179.002 7.458 2.528 630 3HD1 ILE 78 HD13 ILE 78 178.482 8.875 1.615 631 H ASN 79 HN ASN 79 176.039 8.033 5.984 632 HA ASN 79 HA ASN 79 178.102 9.859 6.388 633 1HB ASN 79 HB2 ASN 79 176.014 8.789 8.289 634 2HB ASN 79 HB1 ASN 79 177.111 10.102 8.708 635 1HD2 ASN 79 HD21 ASN 79 174.469 10.560 8.812 636 2HD2 ASN 79 HD22 ASN 79 173.973 11.591 7.516 637 H LYS 80 HN LYS 80 177.480 6.779 8.055 638 HA LYS 80 HA LYS 80 179.612 6.860 9.846 639 1HB LYS 80 HB2 LYS 80 177.604 5.106 9.353 640 2HB LYS 80 HB1 LYS 80 178.969 4.212 8.700 641 1HG LYS 80 HG2 LYS 80 179.653 5.323 11.257 642 2HG LYS 80 HG1 LYS 80 178.156 4.393 11.371 643 1HD LYS 80 HD2 LYS 80 179.201 2.430 10.995 644 2HD LYS 80 HD1 LYS 80 180.295 3.125 9.799 645 1HE LYS 80 HE2 LYS 80 180.566 3.614 12.756 646 2HE LYS 80 HE1 LYS 80 181.367 2.280 11.927 647 1HZ LYS 80 HZ1 LYS 80 182.994 3.808 11.738 648 2HZ LYS 80 HZ2 LYS 80 181.944 5.130 11.845 649 3HZ LYS 80 HZ3 LYS 80 182.105 4.297 10.382 650 H LEU 81 HN LEU 81 179.477 5.496 6.567 651 HA LEU 81 HA LEU 81 182.066 4.470 6.449 652 1HB LEU 81 HB2 LEU 81 180.123 5.457 4.403 653 2HB LEU 81 HB1 LEU 81 181.757 5.063 3.906 654 HG LEU 81 HG LEU 81 180.614 2.939 5.513 655 1HD1 LEU 81 HD11 LEU 81 179.029 3.996 3.216 656 2HD1 LEU 81 HD12 LEU 81 178.476 3.350 4.761 657 3HD1 LEU 81 HD13 LEU 81 179.087 2.258 3.517 658 1HD2 LEU 81 HD21 LEU 81 182.505 3.212 3.562 659 2HD2 LEU 81 HD22 LEU 81 181.178 2.451 2.686 660 3HD2 LEU 81 HD23 LEU 81 181.839 1.681 4.128 661 H GLU 82 HN GLU 82 180.886 7.733 5.692 662 HA GLU 82 HA GLU 82 183.222 8.803 4.629 663 1HB GLU 82 HB2 GLU 82 180.801 9.807 4.958 664 2HB GLU 82 HB1 GLU 82 181.522 10.499 6.404 665 1HG GLU 82 HG2 GLU 82 183.390 11.238 4.699 666 2HG GLU 82 HG1 GLU 82 182.065 11.076 3.546 667 H ARG 83 HN ARG 83 182.086 9.385 7.968 668 HA ARG 83 HA ARG 83 184.415 10.470 8.970 669 1HB ARG 83 HB2 ARG 83 182.971 10.653 10.674 670 2HB ARG 83 HB1 ARG 83 181.978 9.343 10.053 671 1HG ARG 83 HG2 ARG 83 182.663 8.799 12.274 672 2HG ARG 83 HG1 ARG 83 183.513 7.731 11.156 673 1HD ARG 83 HD2 ARG 83 185.448 8.384 12.027 674 2HD ARG 83 HD1 ARG 83 185.118 10.034 11.499 675 HE ARG 83 HE ARG 83 183.760 9.467 13.920 676 1HH1 ARG 83 HH11 ARG 83 186.936 10.163 12.650 677 2HH1 ARG 83 HH12 ARG 83 187.511 10.859 14.127 678 1HH2 ARG 83 HH21 ARG 83 184.515 10.380 15.864 679 2HH2 ARG 83 HH22 ARG 83 186.138 10.982 15.952 680 H GLN 84 HN GLN 84 183.525 7.062 8.697 681 HA GLN 84 HA GLN 84 185.780 6.013 10.027 682 1HB GLN 84 HB2 GLN 84 183.506 4.933 9.094 683 2HB GLN 84 HB1 GLN 84 184.586 4.476 7.786 684 1HG GLN 84 HG2 GLN 84 185.922 3.171 9.189 685 2HG GLN 84 HG1 GLN 84 185.267 3.915 10.647 686 1HE2 GLN 84 HE21 GLN 84 183.447 2.778 7.867 687 2HE2 GLN 84 HE22 GLN 84 182.596 1.531 8.700 688 H LEU 85 HN LEU 85 185.206 7.084 6.750 689 HA LEU 85 HA LEU 85 187.433 5.940 5.490 690 1HB LEU 85 HB2 LEU 85 185.355 7.658 4.775 691 2HB LEU 85 HB1 LEU 85 186.800 8.606 4.506 692 HG LEU 85 HG LEU 85 185.849 6.163 3.092 693 1HD1 LEU 85 HD11 LEU 85 185.776 8.693 2.388 694 2HD1 LEU 85 HD12 LEU 85 186.098 7.419 1.211 695 3HD1 LEU 85 HD13 LEU 85 187.431 8.359 1.878 696 1HD2 LEU 85 HD21 LEU 85 188.229 6.051 2.110 697 2HD2 LEU 85 HD22 LEU 85 187.926 5.279 3.667 698 3HD2 LEU 85 HD23 LEU 85 188.721 6.853 3.603 699 H ASN 86 HN ASN 86 187.102 9.365 6.386 700 HA ASN 86 HA ASN 86 189.703 10.149 6.144 701 1HB ASN 86 HB2 ASN 86 189.049 11.667 8.268 702 2HB ASN 86 HB1 ASN 86 188.457 11.983 6.643 703 1HD2 ASN 86 HD21 ASN 86 186.336 11.412 6.112 704 2HD2 ASN 86 HD22 ASN 86 185.138 11.170 7.329 705 H LYS 87 HN LYS 87 188.253 8.432 8.849 706 HA LYS 87 HA LYS 87 190.355 8.667 10.687 707 1HB LYS 87 HB2 LYS 87 188.175 7.845 11.358 708 2HB LYS 87 HB1 LYS 87 188.335 6.450 10.301 709 1HG LYS 87 HG2 LYS 87 190.431 6.818 12.356 710 2HG LYS 87 HG1 LYS 87 188.823 6.354 12.917 711 1HD LYS 87 HD2 LYS 87 189.607 4.803 10.609 712 2HD LYS 87 HD1 LYS 87 190.808 4.674 11.894 713 1HE LYS 87 HE2 LYS 87 189.216 2.928 12.216 714 2HE LYS 87 HE1 LYS 87 188.944 4.136 13.471 715 1HZ LYS 87 HZ1 LYS 87 187.039 4.927 12.371 716 2HZ LYS 87 HZ2 LYS 87 186.907 3.242 12.329 717 3HZ LYS 87 HZ3 LYS 87 187.395 4.085 10.947 718 H LEU 88 HN LEU 88 189.618 5.876 8.580 719 HA LEU 88 HA LEU 88 192.118 4.620 9.082 720 1HB LEU 88 HB2 LEU 88 189.830 4.159 7.235 721 2HB LEU 88 HB1 LEU 88 191.353 3.373 6.866 722 HG LEU 88 HG LEU 88 189.928 3.093 9.510 723 1HD1 LEU 88 HD11 LEU 88 189.494 0.740 8.555 724 2HD1 LEU 88 HD12 LEU 88 189.748 1.498 6.983 725 3HD1 LEU 88 HD13 LEU 88 188.454 2.068 8.037 726 1HD2 LEU 88 HD21 LEU 88 191.549 1.616 10.122 727 2HD2 LEU 88 HD22 LEU 88 192.510 2.667 9.080 728 3HD2 LEU 88 HD23 LEU 88 191.894 1.134 8.460 729 H GLN 89 HN GLN 89 190.928 6.764 6.566 730 HA GLN 89 HA GLN 89 193.013 6.445 4.721 731 1HB GLN 89 HB2 GLN 89 190.706 7.837 4.718 732 2HB GLN 89 HB1 GLN 89 191.840 9.149 5.008 733 1HG GLN 89 HG2 GLN 89 192.377 9.202 2.868 734 2HG GLN 89 HG1 GLN 89 192.854 7.505 2.915 735 1HE2 GLN 89 HE21 GLN 89 190.634 9.753 1.748 736 2HE2 GLN 89 HE22 GLN 89 189.502 8.650 1.057 737 H HIS 90 HN HIS 90 192.868 8.123 7.740 738 HA HIS 90 HA HIS 90 194.714 10.109 7.587 739 1HB HIS 90 HB2 HIS 90 193.675 9.787 9.668 740 2HB HIS 90 HB1 HIS 90 194.148 8.097 9.747 741 HD1 HIS 90 HD1 HIS 90 196.413 11.101 9.225 742 HD2 HIS 90 HD2 HIS 90 195.688 8.074 11.976 743 HE1 HIS 90 HE1 HIS 90 198.235 11.309 10.947 744 HE2 HIS 90 HE2 HIS 90 197.841 9.397 12.539 745 H LYS 91 HN LYS 91 196.905 10.330 7.501 746 HA LYS 91 HA LYS 91 199.122 9.788 7.324 747 1HB LYS 91 HB2 LYS 91 198.500 7.956 9.039 748 2HB LYS 91 HB1 LYS 91 198.477 6.870 7.658 749 1HG LYS 91 HG2 LYS 91 200.882 8.469 7.698 750 2HG LYS 91 HG1 LYS 91 200.672 7.570 9.201 751 1HD LYS 91 HD2 LYS 91 200.386 5.500 7.917 752 2HD LYS 91 HD1 LYS 91 200.609 6.404 6.417 753 1HE LYS 91 HE2 LYS 91 202.636 5.165 7.308 754 2HE LYS 91 HE1 LYS 91 202.864 6.869 6.910 755 1HZ LYS 91 HZ1 LYS 91 202.267 5.923 9.655 756 2HZ LYS 91 HZ2 LYS 91 202.811 7.453 9.182 757 3HZ LYS 91 HZ3 LYS 91 203.843 6.118 9.072 758 H GLY 92 HN GLY 92 198.155 10.402 5.095 759 1HA GLY 92 HA2 GLY 92 198.075 10.102 2.826 760 2HA GLY 92 HA1 GLY 92 199.506 9.120 3.094 761 H GLU 93 HN GLU 93 199.408 7.090 2.507 762 HA GLU 93 HA GLU 93 197.464 5.228 2.963 763 1HB GLU 93 HB2 GLU 93 196.485 5.090 0.549 764 2HB GLU 93 HB1 GLU 93 195.775 6.193 1.716 765 1HG GLU 93 HG2 GLU 93 197.725 7.715 0.485 766 2HG GLU 93 HG1 GLU 93 197.062 6.739 -0.821 767 H ALA 94 HN ALA 94 198.951 6.051 -0.177 768 HA ALA 94 HA ALA 94 201.239 4.537 -0.023 769 1HB ALA 94 HB1 ALA 94 199.811 2.667 -1.615 770 2HB ALA 94 HB2 ALA 94 198.956 2.847 -0.083 771 3HB ALA 94 HB3 ALA 94 200.660 2.394 -0.095 772 H ARG 95 HN ARG 95 201.438 3.366 -2.524 773 HA ARG 95 HA ARG 95 201.627 5.687 -4.192 774 1HB ARG 95 HB2 ARG 95 203.236 3.717 -4.154 775 2HB ARG 95 HB1 ARG 95 202.017 2.822 -5.052 776 1HG ARG 95 HG2 ARG 95 202.463 3.887 -6.976 777 2HG ARG 95 HG1 ARG 95 202.714 5.442 -6.179 778 1HD ARG 95 HD2 ARG 95 204.806 4.808 -7.087 779 2HD ARG 95 HD1 ARG 95 204.910 4.527 -5.349 780 HE ARG 95 HE ARG 95 204.112 2.214 -6.862 781 1HH1 ARG 95 HH11 ARG 95 206.819 4.051 -5.647 782 2HH1 ARG 95 HH12 ARG 95 207.907 2.704 -5.678 783 1HH2 ARG 95 HH21 ARG 95 205.541 0.442 -6.904 784 2HH2 ARG 95 HH22 ARG 95 207.182 0.656 -6.393 785 H ARG 96 HN ARG 96 199.751 6.514 -4.911 786 HA ARG 96 HA ARG 96 197.592 4.793 -5.781 787 1HB ARG 96 HB2 ARG 96 197.416 7.692 -6.347 788 2HB ARG 96 HB1 ARG 96 196.231 6.610 -5.635 789 1HG ARG 96 HG2 ARG 96 196.646 7.605 -3.701 790 2HG ARG 96 HG1 ARG 96 198.209 6.791 -3.703 791 1HD ARG 96 HD2 ARG 96 197.521 9.606 -4.398 792 2HD ARG 96 HD1 ARG 96 198.850 8.982 -3.425 793 HE ARG 96 HE ARG 96 199.409 8.099 -5.936 794 1HH1 ARG 96 HH11 ARG 96 198.738 11.235 -4.561 795 2HH1 ARG 96 HH12 ARG 96 199.710 12.086 -5.713 796 1HH2 ARG 96 HH21 ARG 96 200.687 9.217 -7.453 797 2HH2 ARG 96 HH22 ARG 96 200.816 10.941 -7.356 798 H ALA 97 HN ALA 97 199.188 3.887 -7.432 799 HA ALA 97 HA ALA 97 198.852 5.389 -9.942 800 1HB ALA 97 HB1 ALA 97 201.212 3.628 -9.750 801 2HB ALA 97 HB2 ALA 97 201.263 5.110 -8.794 802 3HB ALA 97 HB3 ALA 97 201.022 5.195 -10.539 803 H ALA 98 HN ALA 98 197.912 4.287 -11.539 804 HA ALA 98 HA ALA 98 198.000 1.359 -11.520 805 1HB ALA 98 HB1 ALA 98 195.426 2.888 -11.872 806 2HB ALA 98 HB2 ALA 98 195.916 2.095 -10.373 807 3HB ALA 98 HB3 ALA 98 195.633 1.136 -11.826 808 H THR 99 HN THR 99 198.739 0.736 -13.432 809 HA THR 99 HA THR 99 198.919 2.436 -15.676 810 HB THR 99 HB THR 99 199.078 -0.576 -15.754 811 HG1 THR 99 HG1 THR 99 201.146 1.224 -15.040 812 1HG2 THR 99 HG21 THR 99 201.000 0.026 -17.330 813 2HG2 THR 99 HG22 THR 99 200.251 1.620 -17.410 814 3HG2 THR 99 HG23 THR 99 199.349 0.195 -17.925 815 H SER 100 HN SER 100 196.695 3.146 -15.867 816 HA SER 100 HA SER 100 194.811 1.177 -16.918 817 1HB SER 100 HB2 SER 100 193.999 4.017 -16.735 818 2HB SER 100 HB1 SER 100 193.138 2.561 -16.235 819 HG SER 100 HG SER 100 193.966 4.055 -14.537 820 H VAL 101 HN VAL 101 196.889 1.509 -18.624 821 HA VAL 101 HA VAL 101 196.028 3.417 -20.667 822 HB VAL 101 HB VAL 101 198.202 2.275 -21.797 823 1HG1 VAL 101 HG11 VAL 101 197.524 4.722 -20.906 824 2HG1 VAL 101 HG12 VAL 101 199.109 4.322 -21.567 825 3HG1 VAL 101 HG13 VAL 101 198.863 4.354 -19.821 826 1HG2 VAL 101 HG21 VAL 101 199.873 1.702 -20.271 827 2HG2 VAL 101 HG22 VAL 101 198.441 0.891 -19.639 828 3HG2 VAL 101 HG23 VAL 101 198.998 2.394 -18.906 829 H LYS 102 HN LYS 102 197.518 0.240 -21.176 830 HA LYS 102 HA LYS 102 195.907 -0.298 -23.436 831 1HB LYS 102 HB2 LYS 102 196.897 -2.580 -23.319 832 2HB LYS 102 HB1 LYS 102 198.092 -1.292 -23.278 833 1HG LYS 102 HG2 LYS 102 197.815 -1.614 -20.665 834 2HG LYS 102 HG1 LYS 102 197.309 -3.226 -21.174 835 1HD LYS 102 HD2 LYS 102 199.512 -2.953 -22.682 836 2HD LYS 102 HD1 LYS 102 199.963 -1.931 -21.316 837 1HE LYS 102 HE2 LYS 102 200.730 -4.204 -20.957 838 2HE LYS 102 HE1 LYS 102 199.482 -3.787 -19.785 839 1HZ LYS 102 HZ1 LYS 102 198.543 -5.040 -22.227 840 2HZ LYS 102 HZ2 LYS 102 198.070 -5.300 -20.624 841 3HZ LYS 102 HZ3 LYS 102 199.475 -6.030 -21.220 842 H ASP 103 HN ASP 103 195.900 -1.719 -20.166 843 HA ASP 103 HA ASP 103 194.376 -3.060 -19.108 844 1HB ASP 103 HB2 ASP 103 192.153 -2.024 -18.915 845 2HB ASP 103 HB1 ASP 103 193.442 -0.836 -18.752 846 H ALA 104 HN ALA 104 194.342 -5.039 -20.080 847 HA ALA 104 HA ALA 104 193.387 -5.759 -22.550 848 1HB ALA 104 HB1 ALA 104 194.604 -7.263 -21.030 849 2HB ALA 104 HB2 ALA 104 193.151 -8.013 -21.692 850 3HB ALA 104 HB3 ALA 104 193.155 -7.408 -20.035 851 H ASN 105 HN ASN 105 191.503 -5.032 -23.346 852 HA ASN 105 HA ASN 105 189.114 -4.956 -21.713 853 1HB ASN 105 HB2 ASN 105 189.568 -3.131 -23.288 854 2HB ASN 105 HB1 ASN 105 189.528 -4.268 -24.630 855 1HD2 ASN 105 HD21 ASN 105 187.833 -3.338 -25.685 856 2HD2 ASN 105 HD22 ASN 105 186.217 -3.330 -25.070 857 H PHE 106 HN PHE 106 189.523 -6.184 -25.030 858 HA PHE 106 HA PHE 106 187.379 -7.962 -24.912 859 1HB PHE 106 HB2 PHE 106 188.159 -8.854 -26.979 860 2HB PHE 106 HB1 PHE 106 188.562 -7.141 -26.987 861 HD1 PHE 106 HD1 PHE 106 190.948 -6.484 -26.362 862 HD2 PHE 106 HD2 PHE 106 189.796 -10.461 -27.343 863 HE1 PHE 106 HE1 PHE 106 193.295 -7.041 -26.844 864 HE2 PHE 106 HE2 PHE 106 192.141 -11.026 -27.824 865 HZ PHE 106 HZ PHE 106 193.894 -9.314 -27.576 866 H VAL 107 HN VAL 107 187.910 -10.437 -25.521 867 HA VAL 107 HA VAL 107 189.409 -11.453 -23.206 868 HB VAL 107 HB VAL 107 187.872 -13.511 -24.509 869 1HG1 VAL 107 HG11 VAL 107 187.454 -14.114 -22.385 870 2HG1 VAL 107 HG12 VAL 107 186.994 -12.484 -21.899 871 3HG1 VAL 107 HG13 VAL 107 188.698 -12.925 -22.002 872 1HG2 VAL 107 HG21 VAL 107 186.341 -11.933 -25.353 873 2HG2 VAL 107 HG22 VAL 107 186.399 -10.965 -23.880 874 3HG2 VAL 107 HG23 VAL 107 185.607 -12.542 -23.869 875 H GLU 108 HN GLU 108 191.025 -12.935 -23.429 876 HA GLU 108 HA GLU 108 192.279 -13.113 -25.995 877 1HB GLU 108 HB2 GLU 108 193.037 -13.495 -23.270 878 2HB GLU 108 HB1 GLU 108 193.482 -14.934 -24.175 879 1HG GLU 108 HG2 GLU 108 195.315 -13.856 -24.789 880 2HG GLU 108 HG1 GLU 108 194.287 -12.840 -25.799 881 H GLU 109 HN GLU 109 189.820 -14.863 -24.582 882 HA GLU 109 HA GLU 109 190.549 -17.386 -25.861 883 1HB GLU 109 HB2 GLU 109 188.638 -18.333 -24.682 884 2HB GLU 109 HB1 GLU 109 189.679 -17.466 -23.562 885 1HG GLU 109 HG2 GLU 109 188.168 -15.625 -23.468 886 2HG GLU 109 HG1 GLU 109 187.190 -16.293 -24.774 887 H VAL 110 HN VAL 110 188.685 -18.542 -26.989 888 HA VAL 110 HA VAL 110 187.609 -16.715 -28.991 889 HB VAL 110 HB VAL 110 187.481 -19.730 -29.007 890 1HG1 VAL 110 HG11 VAL 110 186.739 -19.593 -31.157 891 2HG1 VAL 110 HG12 VAL 110 187.566 -18.066 -31.463 892 3HG1 VAL 110 HG13 VAL 110 186.068 -18.086 -30.534 893 1HG2 VAL 110 HG21 VAL 110 189.794 -18.154 -29.137 894 2HG2 VAL 110 HG22 VAL 110 189.446 -18.629 -30.800 895 3HG2 VAL 110 HG23 VAL 110 189.634 -19.859 -29.550 896 H GLU 111 HN GLU 111 186.277 -16.246 -26.745 897 HA GLU 111 HA GLU 111 183.847 -17.870 -26.736 898 1HB GLU 111 HB2 GLU 111 185.160 -17.047 -24.632 899 2HB GLU 111 HB1 GLU 111 184.314 -15.533 -24.918 900 1HG GLU 111 HG2 GLU 111 182.521 -17.803 -24.998 901 2HG GLU 111 HG1 GLU 111 183.394 -17.699 -23.470 902 H GLU 112 HN GLU 112 183.856 -16.687 -29.060 903 HA GLU 112 HA GLU 112 181.653 -14.841 -28.908 904 1HB GLU 112 HB2 GLU 112 182.829 -13.142 -30.376 905 2HB GLU 112 HB1 GLU 112 183.333 -13.187 -28.692 906 1HG GLU 112 HG2 GLU 112 185.086 -14.927 -29.815 907 2HG GLU 112 HG1 GLU 112 184.842 -13.777 -31.130 908 H GLU 113 HN GLU 113 184.132 -16.283 -30.999 909 HA GLU 113 HA GLU 113 182.712 -16.129 -33.407 910 1HB GLU 113 HB2 GLU 113 185.099 -17.470 -32.420 911 2HB GLU 113 HB1 GLU 113 184.237 -18.449 -33.595 912 1HG GLU 113 HG2 GLU 113 185.213 -17.281 -35.195 913 2HG GLU 113 HG1 GLU 113 184.284 -15.877 -34.674 Start of MODEL 16 1 1H MET 1 HT1 MET 1 186.400 0.690 -7.418 2 2H MET 1 HT2 MET 1 185.748 0.057 -8.873 3 3H MET 1 HT3 MET 1 186.482 -0.993 -7.731 4 HA MET 1 HA MET 1 184.787 -0.753 -6.224 5 1HB MET 1 HB2 MET 1 182.978 0.920 -6.586 6 2HB MET 1 HB1 MET 1 184.560 1.648 -6.342 7 1HG MET 1 HG2 MET 1 184.132 1.206 -9.134 8 2HG MET 1 HG1 MET 1 182.757 2.071 -8.454 9 1HE MET 1 HE1 MET 1 183.531 4.851 -6.949 10 2HE MET 1 HE2 MET 1 182.508 4.129 -8.190 11 3HE MET 1 HE3 MET 1 183.616 5.434 -8.611 12 H THR 2 HN THR 2 184.435 -2.834 -7.057 13 HA THR 2 HA THR 2 183.095 -3.328 -9.509 14 HB THR 2 HB THR 2 182.691 -5.628 -8.318 15 HG1 THR 2 HG1 THR 2 183.950 -5.964 -6.550 16 1HG2 THR 2 HG21 THR 2 185.041 -6.300 -8.675 17 2HG2 THR 2 HG22 THR 2 185.447 -4.604 -8.947 18 3HG2 THR 2 HG23 THR 2 184.339 -5.434 -10.041 19 H MET 3 HN MET 3 181.984 -2.357 -6.425 20 HA MET 3 HA MET 3 179.911 -1.944 -5.588 21 1HB MET 3 HB2 MET 3 179.531 -0.915 -7.809 22 2HB MET 3 HB1 MET 3 178.971 -2.468 -8.414 23 1HG MET 3 HG2 MET 3 177.432 -2.034 -6.156 24 2HG MET 3 HG1 MET 3 177.559 -0.443 -6.905 25 1HE MET 3 HE1 MET 3 175.144 -0.347 -9.510 26 2HE MET 3 HE2 MET 3 176.179 0.394 -8.291 27 3HE MET 3 HE3 MET 3 174.668 -0.381 -7.812 28 H ASN 4 HN ASN 4 180.311 -3.996 -4.443 29 HA ASN 4 HA ASN 4 178.662 -6.228 -5.395 30 1HB ASN 4 HB2 ASN 4 181.082 -5.996 -3.735 31 2HB ASN 4 HB1 ASN 4 179.899 -7.154 -3.136 32 1HD2 ASN 4 HD21 ASN 4 182.365 -7.976 -3.962 33 2HD2 ASN 4 HD22 ASN 4 182.219 -8.884 -5.424 34 H ILE 5 HN ILE 5 176.820 -6.809 -4.408 35 HA ILE 5 HA ILE 5 176.199 -5.607 -1.794 36 HB ILE 5 HB ILE 5 174.030 -6.007 -3.821 37 1HG1 ILE 5 HG12 ILE 5 175.937 -3.676 -3.633 38 2HG1 ILE 5 HG11 ILE 5 175.489 -4.604 -5.059 39 1HG2 ILE 5 HG21 ILE 5 173.650 -5.567 -1.348 40 2HG2 ILE 5 HG22 ILE 5 172.805 -4.513 -2.483 41 3HG2 ILE 5 HG23 ILE 5 174.252 -3.938 -1.655 42 1HD1 ILE 5 HD11 ILE 5 173.103 -3.650 -4.525 43 2HD1 ILE 5 HD12 ILE 5 174.297 -2.695 -5.405 44 3HD1 ILE 5 HD13 ILE 5 174.037 -2.413 -3.685 45 H THR 6 HN THR 6 175.732 -7.101 -0.323 46 HA THR 6 HA THR 6 174.570 -9.652 -1.231 47 HB THR 6 HB THR 6 176.568 -9.239 1.001 48 HG1 THR 6 HG1 THR 6 177.382 -9.149 -1.193 49 1HG2 THR 6 HG21 THR 6 176.108 -11.945 0.016 50 2HG2 THR 6 HG22 THR 6 174.738 -11.245 0.879 51 3HG2 THR 6 HG23 THR 6 176.314 -11.351 1.663 52 H SER 7 HN SER 7 172.462 -8.975 -0.757 53 HA SER 7 HA SER 7 171.846 -8.203 1.987 54 1HB SER 7 HB2 SER 7 170.122 -8.385 -0.492 55 2HB SER 7 HB1 SER 7 169.525 -7.896 1.094 56 HG SER 7 HG SER 7 170.059 -6.001 0.243 57 H LYS 8 HN LYS 8 169.875 -9.255 2.999 58 HA LYS 8 HA LYS 8 170.327 -12.085 3.101 59 1HB LYS 8 HB2 LYS 8 168.919 -10.090 4.692 60 2HB LYS 8 HB1 LYS 8 168.017 -11.595 4.560 61 1HG LYS 8 HG2 LYS 8 170.912 -11.612 5.309 62 2HG LYS 8 HG1 LYS 8 169.663 -11.294 6.514 63 1HD LYS 8 HD2 LYS 8 169.099 -13.451 6.625 64 2HD LYS 8 HD1 LYS 8 169.016 -13.592 4.868 65 1HE LYS 8 HE2 LYS 8 171.544 -13.696 6.510 66 2HE LYS 8 HE1 LYS 8 170.694 -15.098 5.862 67 1HZ LYS 8 HZ1 LYS 8 172.036 -12.942 4.329 68 2HZ LYS 8 HZ2 LYS 8 171.032 -14.104 3.618 69 3HZ LYS 8 HZ3 LYS 8 172.460 -14.580 4.390 70 H GLN 9 HN GLN 9 167.065 -10.724 3.075 71 HA GLN 9 HA GLN 9 166.475 -12.266 0.648 72 1HB GLN 9 HB2 GLN 9 164.541 -13.272 1.593 73 2HB GLN 9 HB1 GLN 9 165.857 -13.546 2.726 74 1HG GLN 9 HG2 GLN 9 163.803 -11.364 2.995 75 2HG GLN 9 HG1 GLN 9 163.716 -12.931 3.799 76 1HE2 GLN 9 HE21 GLN 9 164.879 -9.773 3.954 77 2HE2 GLN 9 HE22 GLN 9 165.891 -9.946 5.344 78 H MET 10 HN MET 10 166.416 -9.309 2.066 79 HA MET 10 HA MET 10 163.827 -8.423 1.167 80 1HB MET 10 HB2 MET 10 164.948 -7.455 3.159 81 2HB MET 10 HB1 MET 10 166.194 -6.795 2.107 82 1HG MET 10 HG2 MET 10 164.536 -5.119 2.737 83 2HG MET 10 HG1 MET 10 164.563 -5.398 0.997 84 1HE MET 10 HE1 MET 10 162.278 -4.688 0.143 85 2HE MET 10 HE2 MET 10 162.214 -3.833 1.684 86 3HE MET 10 HE3 MET 10 160.821 -4.764 1.131 87 H GLU 11 HN GLU 11 166.670 -9.105 -0.397 88 HA GLU 11 HA GLU 11 167.604 -8.559 -2.387 89 1HB GLU 11 HB2 GLU 11 166.168 -8.731 -4.154 90 2HB GLU 11 HB1 GLU 11 165.106 -9.286 -2.873 91 1HG GLU 11 HG2 GLU 11 164.677 -6.567 -2.897 92 2HG GLU 11 HG1 GLU 11 164.901 -6.957 -4.600 93 H ILE 12 HN ILE 12 167.613 -6.750 -4.204 94 HA ILE 12 HA ILE 12 167.890 -4.215 -2.747 95 HB ILE 12 HB ILE 12 169.032 -4.750 -5.475 96 1HG1 ILE 12 HG12 ILE 12 169.875 -6.566 -4.139 97 2HG1 ILE 12 HG11 ILE 12 171.160 -5.375 -4.305 98 1HG2 ILE 12 HG21 ILE 12 169.865 -2.709 -5.255 99 2HG2 ILE 12 HG22 ILE 12 170.649 -3.155 -3.741 100 3HG2 ILE 12 HG23 ILE 12 168.996 -2.539 -3.731 101 1HD1 ILE 12 HD11 ILE 12 170.583 -4.512 -2.060 102 2HD1 ILE 12 HD12 ILE 12 171.125 -6.191 -2.057 103 3HD1 ILE 12 HD13 ILE 12 169.409 -5.818 -1.903 104 H THR 13 HN THR 13 166.283 -2.818 -3.000 105 HA THR 13 HA THR 13 164.420 -3.012 -5.168 106 HB THR 13 HB THR 13 163.133 -1.463 -4.034 107 HG1 THR 13 HG1 THR 13 164.065 0.377 -3.728 108 1HG2 THR 13 HG21 THR 13 164.280 -3.338 -2.414 109 2HG2 THR 13 HG22 THR 13 162.926 -2.293 -1.986 110 3HG2 THR 13 HG23 THR 13 164.570 -1.837 -1.536 111 HA PRO 14 HA PRO 14 166.055 -0.358 -8.259 112 1HB PRO 14 HB2 PRO 14 163.966 1.479 -8.555 113 2HB PRO 14 HB1 PRO 14 164.117 -0.063 -9.400 114 1HG PRO 14 HG2 PRO 14 162.528 0.620 -6.972 115 2HG PRO 14 HG1 PRO 14 162.127 -0.474 -8.308 116 1HD PRO 14 HD2 PRO 14 162.915 -1.421 -5.938 117 2HD PRO 14 HD1 PRO 14 163.427 -2.199 -7.451 118 H ALA 15 HN ALA 15 164.417 1.356 -5.615 119 HA ALA 15 HA ALA 15 165.766 3.815 -5.961 120 1HB ALA 15 HB1 ALA 15 163.635 3.154 -4.554 121 2HB ALA 15 HB2 ALA 15 164.641 4.531 -4.105 122 3HB ALA 15 HB3 ALA 15 164.825 2.993 -3.262 123 H ILE 16 HN ILE 16 166.363 1.074 -3.773 124 HA ILE 16 HA ILE 16 168.574 2.175 -2.445 125 HB ILE 16 HB ILE 16 168.036 -0.751 -2.977 126 1HG1 ILE 16 HG12 ILE 16 167.194 1.007 -0.663 127 2HG1 ILE 16 HG11 ILE 16 166.127 0.379 -1.913 128 1HG2 ILE 16 HG21 ILE 16 169.404 0.191 -0.525 129 2HG2 ILE 16 HG22 ILE 16 170.331 0.224 -2.026 130 3HG2 ILE 16 HG23 ILE 16 169.632 -1.291 -1.453 131 1HD1 ILE 16 HD11 ILE 16 165.775 -1.054 -0.133 132 2HD1 ILE 16 HD12 ILE 16 167.481 -1.076 0.316 133 3HD1 ILE 16 HD13 ILE 16 166.938 -1.935 -1.125 134 H ARG 17 HN ARG 17 168.452 0.011 -5.281 135 HA ARG 17 HA ARG 17 171.205 -0.232 -5.645 136 1HB ARG 17 HB2 ARG 17 170.742 -1.092 -7.796 137 2HB ARG 17 HB1 ARG 17 169.370 -1.549 -6.800 138 1HG ARG 17 HG2 ARG 17 167.929 -0.166 -7.907 139 2HG ARG 17 HG1 ARG 17 169.193 0.964 -8.383 140 1HD ARG 17 HD2 ARG 17 169.946 -0.432 -10.111 141 2HD ARG 17 HD1 ARG 17 169.082 -1.829 -9.474 142 HE ARG 17 HE ARG 17 167.995 0.314 -11.098 143 1HH1 ARG 17 HH11 ARG 17 167.315 -2.425 -9.038 144 2HH1 ARG 17 HH12 ARG 17 165.726 -2.667 -9.679 145 1HH2 ARG 17 HH21 ARG 17 165.904 -0.006 -11.936 146 2HH2 ARG 17 HH22 ARG 17 164.924 -1.295 -11.321 147 H GLN 18 HN GLN 18 168.997 2.316 -6.575 148 HA GLN 18 HA GLN 18 170.880 3.671 -8.263 149 1HB GLN 18 HB2 GLN 18 168.174 3.795 -7.985 150 2HB GLN 18 HB1 GLN 18 168.663 5.237 -7.106 151 1HG GLN 18 HG2 GLN 18 168.156 5.677 -9.469 152 2HG GLN 18 HG1 GLN 18 169.816 6.085 -9.036 153 1HE2 GLN 18 HE21 GLN 18 171.441 5.184 -10.139 154 2HE2 GLN 18 HE22 GLN 18 171.261 3.964 -11.349 155 H HIS 19 HN HIS 19 169.792 3.970 -4.919 156 HA HIS 19 HA HIS 19 171.110 6.375 -4.303 157 1HB HIS 19 HB2 HIS 19 169.613 4.385 -2.900 158 2HB HIS 19 HB1 HIS 19 171.088 4.708 -1.992 159 HD1 HIS 19 HD1 HIS 19 169.022 7.232 -3.927 160 HD2 HIS 19 HD2 HIS 19 170.126 6.332 -0.026 161 HE1 HIS 19 HE1 HIS 19 168.156 9.133 -2.527 162 HE2 HIS 19 HE2 HIS 19 168.729 8.503 -0.157 163 H VAL 20 HN VAL 20 172.154 2.996 -4.053 164 HA VAL 20 HA VAL 20 174.686 3.569 -2.906 165 HB VAL 20 HB VAL 20 173.905 1.144 -4.535 166 1HG1 VAL 20 HG11 VAL 20 176.160 1.708 -2.628 167 2HG1 VAL 20 HG12 VAL 20 176.251 1.157 -4.300 168 3HG1 VAL 20 HG13 VAL 20 175.658 0.070 -3.045 169 1HG2 VAL 20 HG21 VAL 20 173.191 0.102 -2.529 170 2HG2 VAL 20 HG22 VAL 20 172.404 1.679 -2.578 171 3HG2 VAL 20 HG23 VAL 20 173.806 1.425 -1.540 172 H ALA 21 HN ALA 21 173.521 3.240 -6.213 173 HA ALA 21 HA ALA 21 175.969 3.139 -7.551 174 1HB ALA 21 HB1 ALA 21 173.192 3.713 -8.248 175 2HB ALA 21 HB2 ALA 21 174.413 2.789 -9.121 176 3HB ALA 21 HB3 ALA 21 174.364 4.544 -9.271 177 H ASP 22 HN ASP 22 173.946 5.974 -6.789 178 HA ASP 22 HA ASP 22 175.714 7.901 -7.812 179 1HB ASP 22 HB2 ASP 22 173.439 7.964 -5.864 180 2HB ASP 22 HB1 ASP 22 174.449 9.394 -6.059 181 H ARG 23 HN ARG 23 175.335 6.561 -4.555 182 HA ARG 23 HA ARG 23 177.238 8.190 -3.280 183 1HB ARG 23 HB2 ARG 23 175.615 6.880 -2.021 184 2HB ARG 23 HB1 ARG 23 176.322 5.385 -2.618 185 1HG ARG 23 HG2 ARG 23 178.466 6.663 -1.464 186 2HG ARG 23 HG1 ARG 23 177.125 7.080 -0.396 187 1HD ARG 23 HD2 ARG 23 177.485 5.094 0.564 188 2HD ARG 23 HD1 ARG 23 176.713 4.407 -0.865 189 HE ARG 23 HE ARG 23 179.522 4.838 -1.214 190 1HH1 ARG 23 HH11 ARG 23 177.134 2.643 0.071 191 2HH1 ARG 23 HH12 ARG 23 178.160 1.254 -0.057 192 1HH2 ARG 23 HH21 ARG 23 180.873 3.012 -1.386 193 2HH2 ARG 23 HH22 ARG 23 180.282 1.463 -0.883 194 H LEU 24 HN LEU 24 177.521 4.977 -4.758 195 HA LEU 24 HA LEU 24 180.201 4.493 -4.151 196 1HB LEU 24 HB2 LEU 24 178.739 2.761 -5.008 197 2HB LEU 24 HB1 LEU 24 178.564 3.615 -6.529 198 HG LEU 24 HG LEU 24 181.268 3.295 -6.424 199 1HD1 LEU 24 HD11 LEU 24 181.723 1.856 -4.768 200 2HD1 LEU 24 HD12 LEU 24 181.133 0.635 -5.898 201 3HD1 LEU 24 HD13 LEU 24 180.056 1.289 -4.663 202 1HD2 LEU 24 HD21 LEU 24 179.016 1.886 -7.719 203 2HD2 LEU 24 HD22 LEU 24 180.588 1.090 -7.783 204 3HD2 LEU 24 HD23 LEU 24 180.398 2.718 -8.433 205 H ALA 25 HN ALA 25 178.744 6.335 -6.770 206 HA ALA 25 HA ALA 25 181.216 6.708 -8.183 207 1HB ALA 25 HB1 ALA 25 179.858 8.409 -9.468 208 2HB ALA 25 HB2 ALA 25 178.489 7.947 -8.457 209 3HB ALA 25 HB3 ALA 25 179.258 6.751 -9.502 210 H LYS 26 HN LYS 26 179.172 8.764 -6.122 211 HA LYS 26 HA LYS 26 180.734 11.081 -6.283 212 1HB LYS 26 HB2 LYS 26 178.386 10.331 -5.004 213 2HB LYS 26 HB1 LYS 26 179.474 10.727 -3.681 214 1HG LYS 26 HG2 LYS 26 178.768 12.819 -4.004 215 2HG LYS 26 HG1 LYS 26 179.897 12.820 -5.360 216 1HD LYS 26 HD2 LYS 26 178.149 13.308 -6.659 217 2HD LYS 26 HD1 LYS 26 177.612 11.647 -6.398 218 1HE LYS 26 HE2 LYS 26 176.909 13.889 -4.521 219 2HE LYS 26 HE1 LYS 26 175.924 13.490 -5.928 220 1HZ LYS 26 HZ1 LYS 26 174.959 11.902 -4.751 221 2HZ LYS 26 HZ2 LYS 26 175.912 12.279 -3.406 222 3HZ LYS 26 HZ3 LYS 26 176.445 11.125 -4.521 223 H LEU 27 HN LEU 27 180.890 8.337 -4.058 224 HA LEU 27 HA LEU 27 182.808 9.385 -2.302 225 1HB LEU 27 HB2 LEU 27 181.441 6.940 -2.658 226 2HB LEU 27 HB1 LEU 27 183.149 6.551 -2.601 227 HG LEU 27 HG LEU 27 181.967 8.327 -0.501 228 1HD1 LEU 27 HD11 LEU 27 180.499 6.678 -0.040 229 2HD1 LEU 27 HD12 LEU 27 181.907 5.935 0.720 230 3HD1 LEU 27 HD13 LEU 27 181.430 5.457 -0.909 231 1HD2 LEU 27 HD21 LEU 27 184.181 6.283 -0.420 232 2HD2 LEU 27 HD22 LEU 27 183.761 7.447 0.838 233 3HD2 LEU 27 HD23 LEU 27 184.418 8.009 -0.701 234 H GLU 28 HN GLU 28 183.116 8.271 -5.529 235 HA GLU 28 HA GLU 28 185.714 7.291 -5.594 236 1HB GLU 28 HB2 GLU 28 184.199 7.166 -7.507 237 2HB GLU 28 HB1 GLU 28 184.260 8.913 -7.690 238 1HG GLU 28 HG2 GLU 28 185.672 7.894 -9.333 239 2HG GLU 28 HG1 GLU 28 186.674 8.751 -8.160 240 H LYS 29 HN LYS 29 184.602 10.525 -5.104 241 HA LYS 29 HA LYS 29 187.050 11.795 -5.901 242 1HB LYS 29 HB2 LYS 29 186.067 13.836 -5.064 243 2HB LYS 29 HB1 LYS 29 184.851 12.949 -5.974 244 1HG LYS 29 HG2 LYS 29 183.601 13.519 -4.174 245 2HG LYS 29 HG1 LYS 29 184.277 12.006 -3.564 246 1HD LYS 29 HD2 LYS 29 185.666 13.062 -2.091 247 2HD LYS 29 HD1 LYS 29 185.829 14.496 -3.106 248 1HE LYS 29 HE2 LYS 29 183.171 13.901 -1.910 249 2HE LYS 29 HE1 LYS 29 184.437 14.539 -0.862 250 1HZ LYS 29 HZ1 LYS 29 183.620 15.822 -3.408 251 2HZ LYS 29 HZ2 LYS 29 184.627 16.466 -2.211 252 3HZ LYS 29 HZ3 LYS 29 182.980 16.247 -1.900 253 H TRP 30 HN TRP 30 185.694 10.601 -2.891 254 HA TRP 30 HA TRP 30 187.294 11.829 -1.019 255 1HB TRP 30 HB2 TRP 30 185.987 9.160 -1.195 256 2HB TRP 30 HB1 TRP 30 187.198 9.379 0.063 257 HD1 TRP 30 HD1 TRP 30 183.707 10.536 -0.966 258 HE1 TRP 30 HE1 TRP 30 182.603 11.715 1.038 259 HE3 TRP 30 HE3 TRP 30 187.730 10.724 2.180 260 HZ2 TRP 30 HZ2 TRP 30 183.340 12.605 3.614 261 HZ3 TRP 30 HZ3 TRP 30 187.449 11.756 4.395 262 HH2 TRP 30 HH2 TRP 30 185.298 12.680 5.094 263 H GLN 31 HN GLN 31 189.226 10.971 0.126 264 HA GLN 31 HA GLN 31 191.328 10.478 -1.718 265 1HB GLN 31 HB2 GLN 31 191.220 10.439 1.292 266 2HB GLN 31 HB1 GLN 31 192.698 10.153 0.386 267 1HG GLN 31 HG2 GLN 31 192.936 12.372 0.747 268 2HG GLN 31 HG1 GLN 31 192.004 12.443 -0.747 269 1HE2 GLN 31 HE21 GLN 31 192.060 13.113 2.614 270 2HE2 GLN 31 HE22 GLN 31 190.512 13.874 2.718 271 H THR 32 HN THR 32 190.046 8.516 -2.549 272 HA THR 32 HA THR 32 191.496 6.179 -1.844 273 HB THR 32 HB THR 32 188.938 5.153 -1.399 274 HG1 THR 32 HG1 THR 32 189.289 7.296 0.397 275 1HG2 THR 32 HG21 THR 32 191.205 4.627 -0.302 276 2HG2 THR 32 HG22 THR 32 189.729 4.429 0.643 277 3HG2 THR 32 HG23 THR 32 190.741 5.856 0.872 278 H HIS 33 HN HIS 33 190.585 4.210 -3.024 279 HA HIS 33 HA HIS 33 189.257 5.063 -5.510 280 1HB HIS 33 HB2 HIS 33 190.681 3.238 -6.617 281 2HB HIS 33 HB1 HIS 33 191.483 4.743 -6.183 282 HD1 HIS 33 HD1 HIS 33 193.691 4.353 -5.173 283 HD2 HIS 33 HD2 HIS 33 191.040 1.280 -4.286 284 HE1 HIS 33 HE1 HIS 33 195.003 2.710 -3.793 285 HE2 HIS 33 HE2 HIS 33 193.405 0.815 -3.348 286 H LEU 34 HN LEU 34 188.815 3.316 -2.830 287 HA LEU 34 HA LEU 34 187.862 1.260 -2.298 288 1HB LEU 34 HB2 LEU 34 185.662 2.269 -4.049 289 2HB LEU 34 HB1 LEU 34 185.566 1.539 -2.457 290 HG LEU 34 HG LEU 34 187.048 4.019 -2.348 291 1HD1 LEU 34 HD11 LEU 34 184.763 5.304 -2.686 292 2HD1 LEU 34 HD12 LEU 34 184.501 4.009 -3.855 293 3HD1 LEU 34 HD13 LEU 34 185.910 5.059 -4.003 294 1HD2 LEU 34 HD21 LEU 34 185.000 4.480 -0.785 295 2HD2 LEU 34 HD22 LEU 34 186.243 3.313 -0.332 296 3HD2 LEU 34 HD23 LEU 34 184.713 2.754 -1.008 297 H ILE 35 HN ILE 35 188.548 -0.638 -3.032 298 HA ILE 35 HA ILE 35 188.283 -1.328 -5.844 299 HB ILE 35 HB ILE 35 189.319 -3.210 -3.755 300 1HG1 ILE 35 HG12 ILE 35 191.046 -1.143 -5.117 301 2HG1 ILE 35 HG11 ILE 35 190.368 -0.894 -3.512 302 1HG2 ILE 35 HG21 ILE 35 190.914 -3.471 -5.903 303 2HG2 ILE 35 HG22 ILE 35 189.432 -2.922 -6.684 304 3HG2 ILE 35 HG23 ILE 35 189.414 -4.372 -5.683 305 1HD1 ILE 35 HD11 ILE 35 191.946 -2.118 -2.569 306 2HD1 ILE 35 HD12 ILE 35 192.771 -2.103 -4.127 307 3HD1 ILE 35 HD13 ILE 35 191.701 -3.442 -3.708 308 H ASN 36 HN ASN 36 187.495 -3.028 -2.804 309 HA ASN 36 HA ASN 36 185.248 -4.300 -4.217 310 1HB ASN 36 HB2 ASN 36 186.968 -5.236 -1.927 311 2HB ASN 36 HB1 ASN 36 185.443 -6.017 -2.335 312 1HD2 ASN 36 HD21 ASN 36 188.094 -7.138 -2.387 313 2HD2 ASN 36 HD22 ASN 36 188.390 -7.643 -4.012 314 HA PRO 37 HA PRO 37 183.151 -1.733 -1.039 315 1HB PRO 37 HB2 PRO 37 181.324 -0.599 -2.615 316 2HB PRO 37 HB1 PRO 37 182.998 -0.029 -2.609 317 1HG PRO 37 HG2 PRO 37 181.605 -1.796 -4.576 318 2HG PRO 37 HG1 PRO 37 182.764 -0.489 -4.870 319 1HD PRO 37 HD2 PRO 37 183.388 -3.192 -4.827 320 2HD PRO 37 HD1 PRO 37 184.553 -1.874 -4.598 321 H HIS 38 HN HIS 38 182.339 -3.614 -0.019 322 HA HIS 38 HA HIS 38 180.104 -5.025 -1.210 323 1HB HIS 38 HB2 HIS 38 182.052 -5.571 0.824 324 2HB HIS 38 HB1 HIS 38 180.443 -5.804 1.494 325 HD1 HIS 38 HD1 HIS 38 182.925 -7.335 -0.745 326 HD2 HIS 38 HD2 HIS 38 178.889 -7.804 0.122 327 HE1 HIS 38 HE1 HIS 38 182.286 -9.566 -1.712 328 HE2 HIS 38 HE2 HIS 38 179.860 -9.867 -1.099 329 H ILE 39 HN ILE 39 177.997 -5.034 -0.461 330 HA ILE 39 HA ILE 39 177.286 -3.221 1.717 331 HB ILE 39 HB ILE 39 176.118 -3.015 -1.061 332 1HG1 ILE 39 HG12 ILE 39 176.858 -0.544 -0.573 333 2HG1 ILE 39 HG11 ILE 39 177.936 -1.301 0.594 334 1HG2 ILE 39 HG21 ILE 39 175.071 -2.220 1.564 335 2HG2 ILE 39 HG22 ILE 39 174.230 -2.493 0.039 336 3HG2 ILE 39 HG23 ILE 39 175.036 -0.955 0.336 337 1HD1 ILE 39 HD11 ILE 39 178.377 -0.919 -2.127 338 2HD1 ILE 39 HD12 ILE 39 178.095 -2.648 -1.933 339 3HD1 ILE 39 HD13 ILE 39 179.361 -1.852 -1.000 340 H ILE 40 HN ILE 40 176.195 -4.487 3.068 341 HA ILE 40 HA ILE 40 174.379 -6.520 1.965 342 HB ILE 40 HB ILE 40 175.564 -6.295 4.736 343 1HG1 ILE 40 HG12 ILE 40 176.188 -8.729 3.354 344 2HG1 ILE 40 HG11 ILE 40 176.603 -7.366 2.321 345 1HG2 ILE 40 HG21 ILE 40 173.331 -7.854 3.692 346 2HG2 ILE 40 HG22 ILE 40 173.788 -7.502 5.357 347 3HG2 ILE 40 HG23 ILE 40 174.558 -8.834 4.494 348 1HD1 ILE 40 HD11 ILE 40 178.235 -6.622 3.726 349 2HD1 ILE 40 HD12 ILE 40 178.317 -8.356 4.035 350 3HD1 ILE 40 HD13 ILE 40 177.465 -7.299 5.161 351 H LEU 41 HN LEU 41 172.506 -5.411 1.614 352 HA LEU 41 HA LEU 41 171.374 -3.878 3.850 353 1HB LEU 41 HB2 LEU 41 171.435 -2.540 1.917 354 2HB LEU 41 HB1 LEU 41 170.896 -3.852 0.886 355 HG LEU 41 HG LEU 41 168.883 -3.255 2.866 356 1HD1 LEU 41 HD11 LEU 41 169.661 -0.959 1.076 357 2HD1 LEU 41 HD12 LEU 41 169.922 -1.017 2.819 358 3HD1 LEU 41 HD13 LEU 41 168.280 -1.027 2.173 359 1HD2 LEU 41 HD21 LEU 41 167.456 -3.163 0.954 360 2HD2 LEU 41 HD22 LEU 41 168.623 -4.461 0.695 361 3HD2 LEU 41 HD23 LEU 41 168.828 -2.914 -0.125 362 H SER 42 HN SER 42 170.284 -5.248 5.136 363 HA SER 42 HA SER 42 168.398 -7.124 3.875 364 1HB SER 42 HB2 SER 42 169.684 -7.260 6.613 365 2HB SER 42 HB1 SER 42 168.530 -8.427 5.968 366 HG SER 42 HG SER 42 171.067 -7.813 4.850 367 H LYS 43 HN LYS 43 166.470 -7.624 5.343 368 HA LYS 43 HA LYS 43 165.397 -5.070 6.328 369 1HB LYS 43 HB2 LYS 43 164.174 -6.089 4.447 370 2HB LYS 43 HB1 LYS 43 163.918 -7.541 5.406 371 1HG LYS 43 HG2 LYS 43 163.014 -5.048 6.664 372 2HG LYS 43 HG1 LYS 43 162.150 -5.509 5.196 373 1HD LYS 43 HD2 LYS 43 161.150 -7.257 6.193 374 2HD LYS 43 HD1 LYS 43 162.613 -7.719 7.065 375 1HE LYS 43 HE2 LYS 43 162.174 -5.754 8.590 376 2HE LYS 43 HE1 LYS 43 160.594 -5.616 7.816 377 1HZ LYS 43 HZ1 LYS 43 160.919 -7.023 9.981 378 2HZ LYS 43 HZ2 LYS 43 161.395 -8.223 8.887 379 3HZ LYS 43 HZ3 LYS 43 159.855 -7.533 8.768 380 H GLU 44 HN GLU 44 165.532 -4.888 8.467 381 HA GLU 44 HA GLU 44 165.128 -7.297 10.106 382 1HB GLU 44 HB2 GLU 44 166.976 -5.063 10.273 383 2HB GLU 44 HB1 GLU 44 166.098 -5.291 11.778 384 1HG GLU 44 HG2 GLU 44 166.755 -7.777 11.503 385 2HG GLU 44 HG1 GLU 44 167.968 -7.156 10.387 386 HA PRO 45 HA PRO 45 161.226 -6.202 11.801 387 1HB PRO 45 HB2 PRO 45 162.286 -6.107 14.499 388 2HB PRO 45 HB1 PRO 45 161.211 -7.295 13.779 389 1HG PRO 45 HG2 PRO 45 164.088 -7.432 14.212 390 2HG PRO 45 HG1 PRO 45 162.959 -8.731 13.797 391 1HD PRO 45 HD2 PRO 45 164.849 -7.771 12.084 392 2HD PRO 45 HD1 PRO 45 163.315 -8.483 11.546 393 H GLN 46 HN GLN 46 163.926 -4.640 13.513 394 HA GLN 46 HA GLN 46 162.318 -2.212 13.755 395 1HB GLN 46 HB2 GLN 46 163.689 -3.532 15.627 396 2HB GLN 46 HB1 GLN 46 164.960 -2.441 15.079 397 1HG GLN 46 HG2 GLN 46 164.117 -0.972 16.517 398 2HG GLN 46 HG1 GLN 46 162.795 -0.773 15.369 399 1HE2 GLN 46 HE21 GLN 46 161.464 -3.153 15.679 400 2HE2 GLN 46 HE22 GLN 46 160.796 -3.239 17.270 401 H GLY 47 HN GLY 47 163.132 -2.453 11.192 402 1HA GLY 47 HA2 GLY 47 163.917 -0.575 9.884 403 2HA GLY 47 HA1 GLY 47 165.229 -0.386 11.031 404 H PHE 48 HN PHE 48 165.716 -0.395 8.357 405 HA PHE 48 HA PHE 48 166.475 -2.985 7.384 406 1HB PHE 48 HB2 PHE 48 166.920 -0.160 6.456 407 2HB PHE 48 HB1 PHE 48 167.784 -1.488 5.700 408 HD1 PHE 48 HD1 PHE 48 165.010 -3.193 6.341 409 HD2 PHE 48 HD2 PHE 48 166.148 0.239 4.097 410 HE1 PHE 48 HE1 PHE 48 163.112 -3.559 4.823 411 HE2 PHE 48 HE2 PHE 48 164.250 -0.121 2.579 412 HZ PHE 48 HZ PHE 48 162.728 -2.019 2.940 413 H VAL 49 HN VAL 49 168.532 -3.858 7.211 414 HA VAL 49 HA VAL 49 170.569 -2.629 8.952 415 HB VAL 49 HB VAL 49 170.461 -5.526 8.119 416 1HG1 VAL 49 HG11 VAL 49 171.868 -5.683 10.264 417 2HG1 VAL 49 HG12 VAL 49 172.080 -3.941 10.082 418 3HG1 VAL 49 HG13 VAL 49 172.631 -5.035 8.813 419 1HG2 VAL 49 HG21 VAL 49 169.788 -5.583 10.726 420 2HG2 VAL 49 HG22 VAL 49 168.616 -5.605 9.408 421 3HG2 VAL 49 HG23 VAL 49 168.991 -4.090 10.229 422 H ALA 50 HN ALA 50 171.810 -1.427 7.586 423 HA ALA 50 HA ALA 50 172.694 -2.626 5.064 424 1HB ALA 50 HB1 ALA 50 172.148 -0.532 4.437 425 2HB ALA 50 HB2 ALA 50 173.767 -0.148 5.023 426 3HB ALA 50 HB3 ALA 50 172.366 0.125 6.057 427 H ASP 51 HN ASP 51 174.168 -4.136 5.950 428 HA ASP 51 HA ASP 51 176.462 -3.068 7.408 429 1HB ASP 51 HB2 ASP 51 175.401 -5.824 6.887 430 2HB ASP 51 HB1 ASP 51 177.087 -5.612 7.351 431 H ALA 52 HN ALA 52 177.422 -1.887 5.706 432 HA ALA 52 HA ALA 52 178.301 -3.354 3.349 433 1HB ALA 52 HB1 ALA 52 179.247 -1.078 2.715 434 2HB ALA 52 HB2 ALA 52 178.397 -0.456 4.131 435 3HB ALA 52 HB3 ALA 52 177.491 -1.214 2.821 436 H THR 53 HN THR 53 180.564 -3.086 2.619 437 HA THR 53 HA THR 53 182.590 -2.573 4.592 438 HB THR 53 HB THR 53 182.185 -5.394 3.575 439 HG1 THR 53 HG1 THR 53 181.864 -5.849 5.782 440 1HG2 THR 53 HG21 THR 53 184.031 -5.414 5.648 441 2HG2 THR 53 HG22 THR 53 184.542 -4.096 4.593 442 3HG2 THR 53 HG23 THR 53 184.341 -5.721 3.940 443 H ILE 54 HN ILE 54 183.623 -1.202 3.231 444 HA ILE 54 HA ILE 54 184.215 -2.068 0.506 445 HB ILE 54 HB ILE 54 184.906 0.593 1.741 446 1HG1 ILE 54 HG12 ILE 54 182.387 -0.202 0.261 447 2HG1 ILE 54 HG11 ILE 54 182.493 0.224 1.966 448 1HG2 ILE 54 HG21 ILE 54 184.280 0.677 -1.042 449 2HG2 ILE 54 HG22 ILE 54 185.463 -0.600 -0.758 450 3HG2 ILE 54 HG23 ILE 54 185.803 1.050 -0.234 451 1HD1 ILE 54 HD11 ILE 54 183.566 2.426 0.832 452 2HD1 ILE 54 HD12 ILE 54 181.860 2.241 1.236 453 3HD1 ILE 54 HD13 ILE 54 182.415 1.937 -0.410 454 H ASN 55 HN ASN 55 186.212 -2.521 -0.247 455 HA ASN 55 HA ASN 55 188.332 -2.789 1.744 456 1HB ASN 55 HB2 ASN 55 187.486 -4.526 -0.156 457 2HB ASN 55 HB1 ASN 55 188.802 -3.735 -1.020 458 1HD2 ASN 55 HD21 ASN 55 190.523 -3.234 1.092 459 2HD2 ASN 55 HD22 ASN 55 191.119 -4.740 1.697 460 H THR 56 HN THR 56 188.960 -0.621 1.918 461 HA THR 56 HA THR 56 189.979 0.712 -0.467 462 HB THR 56 HB THR 56 190.388 2.608 1.189 463 HG1 THR 56 HG1 THR 56 189.236 2.402 3.152 464 1HG2 THR 56 HG21 THR 56 188.457 2.771 -0.182 465 2HG2 THR 56 HG22 THR 56 187.973 3.153 1.471 466 3HG2 THR 56 HG23 THR 56 187.597 1.572 0.784 467 HA PRO 57 HA PRO 57 194.274 -0.073 0.038 468 1HB PRO 57 HB2 PRO 57 195.301 2.519 0.212 469 2HB PRO 57 HB1 PRO 57 195.004 1.622 -1.279 470 1HG PRO 57 HG2 PRO 57 193.320 3.687 0.060 471 2HG PRO 57 HG1 PRO 57 193.591 3.403 -1.670 472 1HD PRO 57 HD2 PRO 57 191.318 2.647 -0.481 473 2HD PRO 57 HD1 PRO 57 192.067 1.650 -1.745 474 H ASN 58 HN ASN 58 192.653 1.979 2.333 475 HA ASN 58 HA ASN 58 194.833 1.809 4.251 476 1HB ASN 58 HB2 ASN 58 192.239 2.879 5.169 477 2HB ASN 58 HB1 ASN 58 193.861 3.534 5.357 478 1HD2 ASN 58 HD21 ASN 58 191.001 3.467 3.434 479 2HD2 ASN 58 HD22 ASN 58 191.436 4.748 2.359 480 H GLY 59 HN GLY 59 192.209 -0.097 3.350 481 1HA GLY 59 HA2 GLY 59 192.435 -2.267 4.748 482 2HA GLY 59 HA1 GLY 59 191.894 -1.218 6.049 483 H VAL 60 HN VAL 60 189.942 -2.134 6.475 484 HA VAL 60 HA VAL 60 187.974 -2.058 4.286 485 HB VAL 60 HB VAL 60 188.745 -4.296 5.919 486 1HG1 VAL 60 HG11 VAL 60 186.464 -5.090 6.524 487 2HG1 VAL 60 HG12 VAL 60 185.859 -3.468 6.190 488 3HG1 VAL 60 HG13 VAL 60 187.027 -3.724 7.487 489 1HG2 VAL 60 HG21 VAL 60 188.457 -4.867 3.748 490 2HG2 VAL 60 HG22 VAL 60 187.118 -3.743 3.512 491 3HG2 VAL 60 HG23 VAL 60 186.845 -5.281 4.330 492 H LEU 61 HN LEU 61 186.398 -0.652 4.615 493 HA LEU 61 HA LEU 61 185.855 0.253 7.356 494 1HB LEU 61 HB2 LEU 61 185.423 1.529 4.667 495 2HB LEU 61 HB1 LEU 61 184.638 2.134 6.113 496 HG LEU 61 HG LEU 61 186.736 3.342 5.439 497 1HD1 LEU 61 HD11 LEU 61 185.859 2.484 8.012 498 2HD1 LEU 61 HD12 LEU 61 186.656 3.989 7.555 499 3HD1 LEU 61 HD13 LEU 61 187.619 2.586 8.011 500 1HD2 LEU 61 HD21 LEU 61 188.134 0.890 6.490 501 2HD2 LEU 61 HD22 LEU 61 188.865 2.346 5.816 502 3HD2 LEU 61 HD23 LEU 61 187.955 1.253 4.774 503 H VAL 62 HN VAL 62 184.112 -0.531 8.311 504 HA VAL 62 HA VAL 62 182.023 -1.773 6.701 505 HB VAL 62 HB VAL 62 182.292 -1.758 9.706 506 1HG1 VAL 62 HG11 VAL 62 180.712 -3.502 9.725 507 2HG1 VAL 62 HG12 VAL 62 180.835 -3.744 7.984 508 3HG1 VAL 62 HG13 VAL 62 180.057 -2.295 8.620 509 1HG2 VAL 62 HG21 VAL 62 182.948 -4.270 8.490 510 2HG2 VAL 62 HG22 VAL 62 183.918 -3.267 9.566 511 3HG2 VAL 62 HG23 VAL 62 183.974 -3.000 7.824 512 H ALA 63 HN ALA 63 180.458 -0.453 6.024 513 HA ALA 63 HA ALA 63 179.590 1.780 7.695 514 1HB ALA 63 HB1 ALA 63 179.517 2.714 5.664 515 2HB ALA 63 HB2 ALA 63 178.009 1.828 5.449 516 3HB ALA 63 HB3 ALA 63 179.523 1.153 4.847 517 H SER 64 HN SER 64 178.530 0.623 9.353 518 HA SER 64 HA SER 64 176.245 -1.028 8.605 519 1HB SER 64 HB2 SER 64 176.823 -0.484 11.463 520 2HB SER 64 HB1 SER 64 176.397 -1.998 10.665 521 HG SER 64 HG SER 64 178.518 -2.139 9.904 522 H GLY 65 HN GLY 65 174.451 0.061 8.123 523 1HA GLY 65 HA2 GLY 65 173.686 2.304 9.891 524 2HA GLY 65 HA1 GLY 65 173.309 2.255 8.174 525 H LYS 66 HN LYS 66 171.703 2.303 10.805 526 HA LYS 66 HA LYS 66 169.838 0.173 10.003 527 1HB LYS 66 HB2 LYS 66 169.285 -0.265 12.309 528 2HB LYS 66 HB1 LYS 66 171.024 -0.422 12.101 529 1HG LYS 66 HG2 LYS 66 171.173 1.981 12.935 530 2HG LYS 66 HG1 LYS 66 169.496 1.781 13.442 531 1HD LYS 66 HD2 LYS 66 171.822 0.064 14.307 532 2HD LYS 66 HD1 LYS 66 171.038 1.311 15.279 533 1HE LYS 66 HE2 LYS 66 168.927 0.050 15.148 534 2HE LYS 66 HE1 LYS 66 169.753 -1.209 14.231 535 1HZ LYS 66 HZ1 LYS 66 171.323 -1.008 16.386 536 2HZ LYS 66 HZ2 LYS 66 170.047 -2.108 16.249 537 3HZ LYS 66 HZ3 LYS 66 169.817 -0.646 17.070 538 H HIS 67 HN HIS 67 167.839 0.861 9.553 539 HA HIS 67 HA HIS 67 166.497 2.889 10.988 540 1HB HIS 67 HB2 HIS 67 168.301 3.946 9.175 541 2HB HIS 67 HB1 HIS 67 166.772 4.004 8.305 542 HD1 HIS 67 HD1 HIS 67 167.579 4.729 11.958 543 HD2 HIS 67 HD2 HIS 67 165.845 6.519 8.633 544 HE1 HIS 67 HE1 HIS 67 166.742 6.963 12.757 545 HE2 HIS 67 HE2 HIS 67 165.752 8.054 10.713 546 H GLU 68 HN GLU 68 164.339 3.117 10.398 547 HA GLU 68 HA GLU 68 163.194 0.902 9.055 548 1HB GLU 68 HB2 GLU 68 162.037 2.013 10.886 549 2HB GLU 68 HB1 GLU 68 161.954 3.506 9.959 550 1HG GLU 68 HG2 GLU 68 160.248 2.772 8.661 551 2HG GLU 68 HG1 GLU 68 160.760 1.087 8.742 552 H ASP 69 HN ASP 69 163.745 4.263 8.134 553 HA ASP 69 HA ASP 69 162.325 4.077 5.667 554 1HB ASP 69 HB2 ASP 69 164.127 6.079 6.949 555 2HB ASP 69 HB1 ASP 69 163.869 6.190 5.210 556 H MET 70 HN MET 70 163.000 3.475 3.697 557 HA MET 70 HA MET 70 165.298 1.898 3.385 558 1HB MET 70 HB2 MET 70 163.437 1.544 1.929 559 2HB MET 70 HB1 MET 70 163.467 3.211 1.378 560 1HG MET 70 HG2 MET 70 165.705 2.743 0.361 561 2HG MET 70 HG1 MET 70 165.454 1.044 0.757 562 1HE MET 70 HE1 MET 70 162.459 -0.014 -1.217 563 2HE MET 70 HE2 MET 70 161.827 1.307 -0.237 564 3HE MET 70 HE3 MET 70 163.003 0.186 0.448 565 H TYR 71 HN TYR 71 164.640 5.020 1.778 566 HA TYR 71 HA TYR 71 167.248 5.436 0.885 567 1HB TYR 71 HB2 TYR 71 164.802 7.045 1.134 568 2HB TYR 71 HB1 TYR 71 166.288 7.987 1.180 569 HD1 TYR 71 HD1 TYR 71 165.476 9.058 -0.927 570 HD2 TYR 71 HD2 TYR 71 166.403 4.909 -0.728 571 HE1 TYR 71 HE1 TYR 71 165.612 8.975 -3.380 572 HE2 TYR 71 HE2 TYR 71 166.547 4.816 -3.176 573 HH TYR 71 HH TYR 71 166.585 7.641 -5.127 574 H THR 72 HN THR 72 165.680 6.531 3.876 575 HA THR 72 HA THR 72 167.799 8.095 4.834 576 HB THR 72 HB THR 72 166.039 6.489 6.662 577 HG1 THR 72 HG1 THR 72 164.451 8.109 6.345 578 1HG2 THR 72 HG21 THR 72 166.050 8.434 8.046 579 2HG2 THR 72 HG22 THR 72 166.915 9.360 6.820 580 3HG2 THR 72 HG23 THR 72 167.715 8.021 7.642 581 H ALA 73 HN ALA 73 167.272 4.646 4.834 582 HA ALA 73 HA ALA 73 169.199 3.932 6.770 583 1HB ALA 73 HB1 ALA 73 167.506 2.576 4.859 584 2HB ALA 73 HB2 ALA 73 168.134 2.010 6.407 585 3HB ALA 73 HB3 ALA 73 169.104 1.832 4.944 586 H ILE 74 HN ILE 74 169.419 3.638 3.220 587 HA ILE 74 HA ILE 74 172.126 3.096 3.054 588 HB ILE 74 HB ILE 74 171.708 4.715 0.823 589 1HG1 ILE 74 HG12 ILE 74 169.234 4.672 1.711 590 2HG1 ILE 74 HG11 ILE 74 169.564 4.453 -0.001 591 1HG2 ILE 74 HG21 ILE 74 171.321 2.464 -0.311 592 2HG2 ILE 74 HG22 ILE 74 171.486 1.767 1.300 593 3HG2 ILE 74 HG23 ILE 74 172.819 2.682 0.595 594 1HD1 ILE 74 HD11 ILE 74 167.877 2.891 0.862 595 2HD1 ILE 74 HD12 ILE 74 169.087 2.213 1.950 596 3HD1 ILE 74 HD13 ILE 74 169.292 2.070 0.205 597 H ASN 75 HN ASN 75 170.511 6.162 3.512 598 HA ASN 75 HA ASN 75 172.710 7.855 2.989 599 1HB ASN 75 HB2 ASN 75 170.085 8.125 4.362 600 2HB ASN 75 HB1 ASN 75 171.313 9.328 4.741 601 1HD2 ASN 75 HD21 ASN 75 170.764 7.654 1.689 602 2HD2 ASN 75 HD22 ASN 75 170.383 9.069 0.775 603 H GLU 76 HN GLU 76 171.508 6.352 5.965 604 HA GLU 76 HA GLU 76 173.392 7.542 7.703 605 1HB GLU 76 HB2 GLU 76 171.672 5.079 7.877 606 2HB GLU 76 HB1 GLU 76 172.816 5.481 9.151 607 1HG GLU 76 HG2 GLU 76 170.678 7.363 8.192 608 2HG GLU 76 HG1 GLU 76 170.461 6.239 9.532 609 H LEU 77 HN LEU 77 173.550 4.833 5.531 610 HA LEU 77 HA LEU 77 175.796 3.542 6.689 611 1HB LEU 77 HB2 LEU 77 174.815 2.065 5.297 612 2HB LEU 77 HB1 LEU 77 174.184 3.315 4.247 613 HG LEU 77 HG LEU 77 177.100 2.826 4.059 614 1HD1 LEU 77 HD11 LEU 77 176.977 0.806 2.890 615 2HD1 LEU 77 HD12 LEU 77 175.220 0.889 2.752 616 3HD1 LEU 77 HD13 LEU 77 175.967 0.552 4.313 617 1HD2 LEU 77 HD21 LEU 77 176.813 3.500 1.881 618 2HD2 LEU 77 HD22 LEU 77 175.507 4.379 2.678 619 3HD2 LEU 77 HD23 LEU 77 175.160 2.892 1.797 620 H ILE 78 HN ILE 78 175.447 5.913 4.062 621 HA ILE 78 HA ILE 78 178.202 5.987 3.404 622 HB ILE 78 HB ILE 78 176.553 6.754 1.811 623 1HG1 ILE 78 HG12 ILE 78 178.352 8.998 2.755 624 2HG1 ILE 78 HG11 ILE 78 178.793 7.712 1.637 625 1HG2 ILE 78 HG21 ILE 78 175.480 9.030 2.228 626 2HG2 ILE 78 HG22 ILE 78 175.893 8.779 3.925 627 3HG2 ILE 78 HG23 ILE 78 174.820 7.648 3.101 628 1HD1 ILE 78 HD11 ILE 78 177.564 10.235 1.105 629 2HD1 ILE 78 HD12 ILE 78 176.511 8.929 0.561 630 3HD1 ILE 78 HD13 ILE 78 178.172 9.026 -0.025 631 H ASN 79 HN ASN 79 176.245 7.784 5.714 632 HA ASN 79 HA ASN 79 178.214 9.759 6.275 633 1HB ASN 79 HB2 ASN 79 176.533 10.692 7.422 634 2HB ASN 79 HB1 ASN 79 175.536 9.315 6.976 635 1HD2 ASN 79 HD21 ASN 79 175.236 7.641 8.461 636 2HD2 ASN 79 HD22 ASN 79 175.546 7.856 10.147 637 H LYS 80 HN LYS 80 177.384 6.650 7.728 638 HA LYS 80 HA LYS 80 179.044 6.801 9.978 639 1HB LYS 80 HB2 LYS 80 177.854 4.558 8.399 640 2HB LYS 80 HB1 LYS 80 179.058 4.192 9.627 641 1HG LYS 80 HG2 LYS 80 177.438 5.803 11.039 642 2HG LYS 80 HG1 LYS 80 176.273 5.104 9.913 643 1HD LYS 80 HD2 LYS 80 176.188 3.525 11.556 644 2HD LYS 80 HD1 LYS 80 177.517 2.866 10.602 645 1HE LYS 80 HE2 LYS 80 178.272 2.800 12.824 646 2HE LYS 80 HE1 LYS 80 179.059 4.209 12.114 647 1HZ LYS 80 HZ1 LYS 80 176.851 4.104 14.063 648 2HZ LYS 80 HZ2 LYS 80 177.039 5.464 13.072 649 3HZ LYS 80 HZ3 LYS 80 178.285 5.003 14.121 650 H LEU 81 HN LEU 81 179.685 5.317 6.800 651 HA LEU 81 HA LEU 81 182.357 4.614 7.344 652 1HB LEU 81 HB2 LEU 81 180.578 4.287 5.236 653 2HB LEU 81 HB1 LEU 81 181.861 5.267 4.551 654 HG LEU 81 HG LEU 81 182.728 2.902 6.104 655 1HD1 LEU 81 HD11 LEU 81 181.479 1.421 5.022 656 2HD1 LEU 81 HD12 LEU 81 182.302 1.897 3.538 657 3HD1 LEU 81 HD13 LEU 81 180.783 2.670 3.991 658 1HD2 LEU 81 HD21 LEU 81 184.079 2.820 3.816 659 2HD2 LEU 81 HD22 LEU 81 184.532 3.885 5.146 660 3HD2 LEU 81 HD23 LEU 81 183.607 4.519 3.785 661 H GLU 82 HN GLU 82 180.875 7.590 6.270 662 HA GLU 82 HA GLU 82 183.081 8.915 5.207 663 1HB GLU 82 HB2 GLU 82 180.831 9.815 5.028 664 2HB GLU 82 HB1 GLU 82 180.749 10.035 6.769 665 1HG GLU 82 HG2 GLU 82 182.299 11.794 6.732 666 2HG GLU 82 HG1 GLU 82 182.809 11.413 5.088 667 H ARG 83 HN ARG 83 181.802 9.334 8.517 668 HA ARG 83 HA ARG 83 184.003 10.748 9.502 669 1HB ARG 83 HB2 ARG 83 181.862 10.692 10.668 670 2HB ARG 83 HB1 ARG 83 182.052 8.973 10.982 671 1HG ARG 83 HG2 ARG 83 183.178 9.387 12.841 672 2HG ARG 83 HG1 ARG 83 184.339 10.386 11.967 673 1HD ARG 83 HD2 ARG 83 183.027 12.335 12.273 674 2HD ARG 83 HD1 ARG 83 181.639 11.399 12.826 675 HE ARG 83 HE ARG 83 183.898 12.244 14.390 676 1HH1 ARG 83 HH11 ARG 83 181.316 9.912 14.121 677 2HH1 ARG 83 HH12 ARG 83 181.303 9.545 15.813 678 1HH2 ARG 83 HH21 ARG 83 183.883 11.761 16.615 679 2HH2 ARG 83 HH22 ARG 83 182.761 10.595 17.230 680 H GLN 84 HN GLN 84 183.341 7.288 9.392 681 HA GLN 84 HA GLN 84 185.501 6.421 10.964 682 1HB GLN 84 HB2 GLN 84 183.465 5.100 10.087 683 2HB GLN 84 HB1 GLN 84 184.418 4.866 8.628 684 1HG GLN 84 HG2 GLN 84 186.118 3.705 9.846 685 2HG GLN 84 HG1 GLN 84 185.336 4.079 11.381 686 1HE2 GLN 84 HE21 GLN 84 183.901 2.986 8.345 687 2HE2 GLN 84 HE22 GLN 84 183.251 1.515 8.974 688 H LEU 85 HN LEU 85 185.213 6.941 7.467 689 HA LEU 85 HA LEU 85 187.810 6.056 6.804 690 1HB LEU 85 HB2 LEU 85 185.843 6.395 5.244 691 2HB LEU 85 HB1 LEU 85 186.198 8.112 5.302 692 HG LEU 85 HG LEU 85 188.501 6.427 4.596 693 1HD1 LEU 85 HD11 LEU 85 185.963 6.318 3.059 694 2HD1 LEU 85 HD12 LEU 85 187.214 5.093 3.271 695 3HD1 LEU 85 HD13 LEU 85 187.477 6.438 2.162 696 1HD2 LEU 85 HD21 LEU 85 187.421 8.658 2.949 697 2HD2 LEU 85 HD22 LEU 85 189.092 8.233 3.319 698 3HD2 LEU 85 HD23 LEU 85 188.093 9.025 4.537 699 H ASN 86 HN ASN 86 186.513 9.197 7.726 700 HA ASN 86 HA ASN 86 188.682 10.816 7.082 701 1HB ASN 86 HB2 ASN 86 186.497 10.982 9.120 702 2HB ASN 86 HB1 ASN 86 187.813 12.152 9.175 703 1HD2 ASN 86 HD21 ASN 86 184.885 12.297 8.482 704 2HD2 ASN 86 HD22 ASN 86 184.847 13.126 6.968 705 H LYS 87 HN LYS 87 188.008 9.093 10.122 706 HA LYS 87 HA LYS 87 190.356 9.941 11.445 707 1HB LYS 87 HB2 LYS 87 188.485 9.110 12.718 708 2HB LYS 87 HB1 LYS 87 188.565 7.554 11.905 709 1HG LYS 87 HG2 LYS 87 189.495 7.691 14.267 710 2HG LYS 87 HG1 LYS 87 190.510 6.926 13.042 711 1HD LYS 87 HD2 LYS 87 191.771 9.010 12.789 712 2HD LYS 87 HD1 LYS 87 190.753 9.776 14.013 713 1HE LYS 87 HE2 LYS 87 192.470 7.341 14.484 714 2HE LYS 87 HE1 LYS 87 192.944 8.992 14.882 715 1HZ LYS 87 HZ1 LYS 87 190.618 7.527 16.007 716 2HZ LYS 87 HZ2 LYS 87 191.031 9.126 16.371 717 3HZ LYS 87 HZ3 LYS 87 192.067 7.865 16.814 718 H LEU 88 HN LEU 88 189.579 6.779 9.979 719 HA LEU 88 HA LEU 88 192.078 5.611 10.298 720 1HB LEU 88 HB2 LEU 88 189.735 4.750 9.337 721 2HB LEU 88 HB1 LEU 88 190.572 4.994 7.817 722 HG LEU 88 HG LEU 88 191.704 3.313 10.046 723 1HD1 LEU 88 HD11 LEU 88 190.613 1.467 9.330 724 2HD1 LEU 88 HD12 LEU 88 190.526 2.030 7.660 725 3HD1 LEU 88 HD13 LEU 88 189.401 2.658 8.863 726 1HD2 LEU 88 HD21 LEU 88 193.461 3.787 8.641 727 2HD2 LEU 88 HD22 LEU 88 192.433 3.892 7.212 728 3HD2 LEU 88 HD23 LEU 88 192.824 2.318 7.902 729 H GLN 89 HN GLN 89 191.089 8.084 8.114 730 HA GLN 89 HA GLN 89 193.126 7.655 6.152 731 1HB GLN 89 HB2 GLN 89 191.074 9.730 6.705 732 2HB GLN 89 HB1 GLN 89 192.466 10.222 5.748 733 1HG GLN 89 HG2 GLN 89 191.208 7.698 4.927 734 2HG GLN 89 HG1 GLN 89 190.215 9.142 4.729 735 1HE2 GLN 89 HE21 GLN 89 191.716 7.266 2.862 736 2HE2 GLN 89 HE22 GLN 89 192.591 8.333 1.822 737 H HIS 90 HN HIS 90 192.681 10.140 8.676 738 HA HIS 90 HA HIS 90 195.258 11.268 8.339 739 1HB HIS 90 HB2 HIS 90 193.362 11.400 10.694 740 2HB HIS 90 HB1 HIS 90 194.792 12.410 10.492 741 HD1 HIS 90 HD1 HIS 90 193.623 14.636 10.264 742 HD2 HIS 90 HD2 HIS 90 192.207 11.784 7.594 743 HE1 HIS 90 HE1 HIS 90 192.125 15.885 8.679 744 HE2 HIS 90 HE2 HIS 90 191.217 14.127 7.120 745 H LYS 91 HN LYS 91 197.079 10.192 8.704 746 HA LYS 91 HA LYS 91 198.645 8.834 9.648 747 1HB LYS 91 HB2 LYS 91 197.419 9.187 12.344 748 2HB LYS 91 HB1 LYS 91 199.110 9.244 11.867 749 1HG LYS 91 HG2 LYS 91 197.104 11.383 11.194 750 2HG LYS 91 HG1 LYS 91 198.164 11.423 12.603 751 1HD LYS 91 HD2 LYS 91 199.937 12.052 11.386 752 2HD LYS 91 HD1 LYS 91 199.582 10.887 10.109 753 1HE LYS 91 HE2 LYS 91 199.492 13.365 9.499 754 2HE LYS 91 HE1 LYS 91 198.128 12.360 9.013 755 1HZ LYS 91 HZ1 LYS 91 198.061 13.836 11.564 756 2HZ LYS 91 HZ2 LYS 91 196.770 13.280 10.624 757 3HZ LYS 91 HZ3 LYS 91 197.672 14.617 10.115 758 H GLY 92 HN GLY 92 197.659 6.978 8.600 759 1HA GLY 92 HA2 GLY 92 197.191 4.855 10.438 760 2HA GLY 92 HA1 GLY 92 195.693 5.340 9.657 761 H GLU 93 HN GLU 93 198.984 5.191 8.335 762 HA GLU 93 HA GLU 93 198.241 2.908 6.682 763 1HB GLU 93 HB2 GLU 93 198.911 5.641 5.629 764 2HB GLU 93 HB1 GLU 93 199.248 4.202 4.675 765 1HG GLU 93 HG2 GLU 93 197.151 4.131 3.986 766 2HG GLU 93 HG1 GLU 93 196.576 4.051 5.650 767 H ALA 94 HN ALA 94 199.867 1.509 6.592 768 HA ALA 94 HA ALA 94 202.610 2.382 6.414 769 1HB ALA 94 HB1 ALA 94 201.589 2.016 8.965 770 2HB ALA 94 HB2 ALA 94 203.293 2.060 8.511 771 3HB ALA 94 HB3 ALA 94 202.450 0.514 8.626 772 H ARG 95 HN ARG 95 204.109 0.552 6.137 773 HA ARG 95 HA ARG 95 202.962 -1.427 4.421 774 1HB ARG 95 HB2 ARG 95 205.773 -1.040 5.456 775 2HB ARG 95 HB1 ARG 95 205.321 -2.277 4.291 776 1HG ARG 95 HG2 ARG 95 205.412 -0.838 2.608 777 2HG ARG 95 HG1 ARG 95 204.386 0.321 3.456 778 1HD ARG 95 HD2 ARG 95 206.915 0.363 4.719 779 2HD ARG 95 HD1 ARG 95 207.203 0.418 2.981 780 HE ARG 95 HE ARG 95 205.170 2.243 3.649 781 1HH1 ARG 95 HH11 ARG 95 208.612 1.795 4.007 782 2HH1 ARG 95 HH12 ARG 95 208.952 3.492 4.073 783 1HH2 ARG 95 HH21 ARG 95 205.614 4.475 3.733 784 2HH2 ARG 95 HH22 ARG 95 207.251 5.014 3.918 785 H ARG 96 HN ARG 96 201.528 -2.498 5.891 786 HA ARG 96 HA ARG 96 202.568 -3.915 8.159 787 1HB ARG 96 HB2 ARG 96 199.916 -3.680 6.812 788 2HB ARG 96 HB1 ARG 96 200.190 -5.053 7.874 789 1HG ARG 96 HG2 ARG 96 200.666 -2.217 8.737 790 2HG ARG 96 HG1 ARG 96 199.108 -3.027 8.913 791 1HD ARG 96 HD2 ARG 96 201.729 -3.684 10.222 792 2HD ARG 96 HD1 ARG 96 200.181 -3.317 10.982 793 HE ARG 96 HE ARG 96 201.096 -5.869 10.117 794 1HH1 ARG 96 HH11 ARG 96 198.224 -3.914 10.463 795 2HH1 ARG 96 HH12 ARG 96 197.163 -5.276 10.605 796 1HH2 ARG 96 HH21 ARG 96 199.702 -7.660 10.302 797 2HH2 ARG 96 HH22 ARG 96 198.002 -7.402 10.512 798 H ALA 97 HN ALA 97 202.102 -4.595 4.793 799 HA ALA 97 HA ALA 97 202.685 -6.375 3.499 800 1HB ALA 97 HB1 ALA 97 204.458 -7.715 4.140 801 2HB ALA 97 HB2 ALA 97 203.969 -7.731 5.835 802 3HB ALA 97 HB3 ALA 97 204.695 -6.281 5.139 803 H ALA 98 HN ALA 98 201.348 -7.909 2.813 804 HA ALA 98 HA ALA 98 199.695 -9.308 4.801 805 1HB ALA 98 HB1 ALA 98 198.884 -7.883 2.654 806 2HB ALA 98 HB2 ALA 98 197.953 -9.194 3.379 807 3HB ALA 98 HB3 ALA 98 198.955 -9.503 1.961 808 H THR 99 HN THR 99 199.834 -11.452 5.058 809 HA THR 99 HA THR 99 201.901 -12.909 3.723 810 HB THR 99 HB THR 99 199.743 -14.102 5.456 811 HG1 THR 99 HG1 THR 99 201.136 -13.604 7.212 812 1HG2 THR 99 HG21 THR 99 202.646 -14.822 5.136 813 2HG2 THR 99 HG22 THR 99 201.288 -15.684 4.412 814 3HG2 THR 99 HG23 THR 99 201.469 -15.635 6.166 815 H SER 100 HN SER 100 201.775 -14.099 1.936 816 HA SER 100 HA SER 100 199.324 -14.247 0.467 817 1HB SER 100 HB2 SER 100 201.039 -15.920 -0.863 818 2HB SER 100 HB1 SER 100 200.946 -14.176 -1.106 819 HG SER 100 HG SER 100 202.989 -14.300 -0.575 820 H VAL 101 HN VAL 101 198.216 -15.421 2.289 821 HA VAL 101 HA VAL 101 198.802 -18.286 2.355 822 HB VAL 101 HB VAL 101 196.763 -16.767 3.984 823 1HG1 VAL 101 HG11 VAL 101 197.561 -19.578 3.780 824 2HG1 VAL 101 HG12 VAL 101 196.076 -18.862 4.404 825 3HG1 VAL 101 HG13 VAL 101 197.508 -18.956 5.428 826 1HG2 VAL 101 HG21 VAL 101 199.679 -17.206 4.372 827 2HG2 VAL 101 HG22 VAL 101 198.627 -17.269 5.786 828 3HG2 VAL 101 HG23 VAL 101 198.680 -15.814 4.789 829 H LYS 102 HN LYS 102 196.413 -15.999 1.238 830 HA LYS 102 HA LYS 102 194.412 -17.983 0.667 831 1HB LYS 102 HB2 LYS 102 193.767 -15.683 1.182 832 2HB LYS 102 HB1 LYS 102 194.653 -15.103 -0.221 833 1HG LYS 102 HG2 LYS 102 192.348 -15.141 -0.786 834 2HG LYS 102 HG1 LYS 102 193.128 -16.466 -1.652 835 1HD LYS 102 HD2 LYS 102 192.404 -17.750 0.599 836 2HD LYS 102 HD1 LYS 102 191.127 -16.533 0.518 837 1HE LYS 102 HE2 LYS 102 191.881 -18.346 -1.768 838 2HE LYS 102 HE1 LYS 102 190.586 -18.692 -0.623 839 1HZ LYS 102 HZ1 LYS 102 190.697 -16.697 -2.756 840 2HZ LYS 102 HZ2 LYS 102 189.847 -16.286 -1.354 841 3HZ LYS 102 HZ3 LYS 102 189.403 -17.656 -2.239 842 H ASP 103 HN ASP 103 196.748 -16.111 -1.236 843 HA ASP 103 HA ASP 103 196.007 -17.005 -3.771 844 1HB ASP 103 HB2 ASP 103 198.270 -16.348 -4.479 845 2HB ASP 103 HB1 ASP 103 197.549 -15.135 -3.425 846 H ALA 104 HN ALA 104 195.956 -18.991 -4.560 847 HA ALA 104 HA ALA 104 197.055 -21.239 -3.292 848 1HB ALA 104 HB1 ALA 104 196.575 -21.472 -6.187 849 2HB ALA 104 HB2 ALA 104 195.214 -20.880 -5.235 850 3HB ALA 104 HB3 ALA 104 195.950 -22.435 -4.849 851 H ASN 105 HN ASN 105 199.264 -20.724 -2.921 852 HA ASN 105 HA ASN 105 200.985 -20.634 -5.291 853 1HB ASN 105 HB2 ASN 105 201.064 -19.261 -2.860 854 2HB ASN 105 HB1 ASN 105 202.380 -20.427 -2.754 855 1HD2 ASN 105 HD21 ASN 105 204.157 -19.292 -3.117 856 2HD2 ASN 105 HD22 ASN 105 204.431 -18.264 -4.478 857 H PHE 106 HN PHE 106 199.643 -22.990 -3.544 858 HA PHE 106 HA PHE 106 201.689 -24.628 -2.628 859 1HB PHE 106 HB2 PHE 106 200.118 -26.427 -2.693 860 2HB PHE 106 HB1 PHE 106 199.214 -24.970 -2.297 861 HD1 PHE 106 HD1 PHE 106 199.468 -27.771 -4.464 862 HD2 PHE 106 HD2 PHE 106 198.001 -23.783 -4.223 863 HE1 PHE 106 HE1 PHE 106 197.941 -28.224 -6.339 864 HE2 PHE 106 HE2 PHE 106 196.471 -24.229 -6.098 865 HZ PHE 106 HZ PHE 106 196.440 -26.450 -7.158 866 H VAL 107 HN VAL 107 203.144 -25.948 -3.556 867 HA VAL 107 HA VAL 107 203.193 -26.031 -6.493 868 HB VAL 107 HB VAL 107 205.591 -26.722 -6.194 869 1HG1 VAL 107 HG11 VAL 107 205.342 -24.112 -4.820 870 2HG1 VAL 107 HG12 VAL 107 204.533 -24.279 -6.378 871 3HG1 VAL 107 HG13 VAL 107 206.270 -24.558 -6.252 872 1HG2 VAL 107 HG21 VAL 107 205.332 -27.541 -3.867 873 2HG2 VAL 107 HG22 VAL 107 205.143 -25.870 -3.335 874 3HG2 VAL 107 HG23 VAL 107 206.661 -26.399 -4.060 875 H GLU 108 HN GLU 108 201.387 -27.747 -5.716 876 HA GLU 108 HA GLU 108 200.728 -29.919 -5.829 877 1HB GLU 108 HB2 GLU 108 203.480 -30.727 -6.706 878 2HB GLU 108 HB1 GLU 108 201.926 -31.386 -7.196 879 1HG GLU 108 HG2 GLU 108 202.042 -30.144 -9.019 880 2HG GLU 108 HG1 GLU 108 201.879 -28.715 -8.002 881 H GLU 109 HN GLU 109 200.790 -31.879 -4.661 882 HA GLU 109 HA GLU 109 202.210 -31.667 -2.154 883 1HB GLU 109 HB2 GLU 109 199.794 -32.834 -3.012 884 2HB GLU 109 HB1 GLU 109 200.809 -34.167 -2.478 885 1HG GLU 109 HG2 GLU 109 200.755 -31.842 -0.684 886 2HG GLU 109 HG1 GLU 109 199.225 -32.703 -0.857 887 H VAL 110 HN VAL 110 203.800 -33.013 -1.392 888 HA VAL 110 HA VAL 110 205.141 -34.651 -3.425 889 HB VAL 110 HB VAL 110 207.101 -34.567 -1.878 890 1HG1 VAL 110 HG11 VAL 110 207.500 -33.013 -3.455 891 2HG1 VAL 110 HG12 VAL 110 207.191 -31.875 -2.143 892 3HG1 VAL 110 HG13 VAL 110 205.907 -32.277 -3.282 893 1HG2 VAL 110 HG21 VAL 110 205.851 -32.312 -0.404 894 2HG2 VAL 110 HG22 VAL 110 207.103 -33.445 0.106 895 3HG2 VAL 110 HG23 VAL 110 205.415 -33.953 0.076 896 H GLU 111 HN GLU 111 206.480 -36.507 -2.319 897 HA GLU 111 HA GLU 111 204.517 -38.209 -1.017 898 1HB GLU 111 HB2 GLU 111 207.025 -38.619 -2.535 899 2HB GLU 111 HB1 GLU 111 206.686 -39.798 -1.276 900 1HG GLU 111 HG2 GLU 111 204.395 -39.205 -2.985 901 2HG GLU 111 HG1 GLU 111 205.770 -39.904 -3.841 902 H GLU 112 HN GLU 112 205.043 -36.363 0.773 903 HA GLU 112 HA GLU 112 207.011 -37.559 2.613 904 1HB GLU 112 HB2 GLU 112 207.459 -35.199 1.838 905 2HB GLU 112 HB1 GLU 112 205.993 -34.716 2.679 906 1HG GLU 112 HG2 GLU 112 207.454 -36.162 4.556 907 2HG GLU 112 HG1 GLU 112 208.642 -35.174 3.709 908 H GLU 113 HN GLU 113 204.217 -38.357 2.226 909 HA GLU 113 HA GLU 113 202.796 -37.382 4.549 910 1HB GLU 113 HB2 GLU 113 202.000 -39.718 2.820 911 2HB GLU 113 HB1 GLU 113 200.965 -38.694 3.803 912 1HG GLU 113 HG2 GLU 113 200.502 -37.673 1.877 913 2HG GLU 113 HG1 GLU 113 202.055 -36.872 2.115 Start of MODEL 17 1 1H MET 1 HT1 MET 1 186.773 1.094 -7.622 2 2H MET 1 HT2 MET 1 185.402 1.232 -8.644 3 3H MET 1 HT3 MET 1 186.523 -0.049 -8.874 4 HA MET 1 HA MET 1 185.914 -1.078 -6.903 5 1HB MET 1 HB2 MET 1 184.475 -0.070 -5.275 6 2HB MET 1 HB1 MET 1 185.720 1.105 -5.671 7 1HG MET 1 HG2 MET 1 184.066 2.123 -7.283 8 2HG MET 1 HG1 MET 1 182.847 1.091 -6.538 9 1HE MET 1 HE1 MET 1 183.900 5.165 -5.295 10 2HE MET 1 HE2 MET 1 182.885 4.524 -6.586 11 3HE MET 1 HE3 MET 1 184.628 4.265 -6.625 12 H THR 2 HN THR 2 184.289 -2.582 -6.930 13 HA THR 2 HA THR 2 182.429 -2.395 -9.161 14 HB THR 2 HB THR 2 183.714 -4.449 -8.924 15 HG1 THR 2 HG1 THR 2 182.002 -5.362 -9.673 16 1HG2 THR 2 HG21 THR 2 182.425 -4.676 -6.221 17 2HG2 THR 2 HG22 THR 2 184.146 -4.599 -6.595 18 3HG2 THR 2 HG23 THR 2 183.205 -6.017 -7.058 19 H MET 3 HN MET 3 180.781 -4.449 -7.381 20 HA MET 3 HA MET 3 179.555 -2.742 -5.434 21 1HB MET 3 HB2 MET 3 178.653 -2.320 -7.976 22 2HB MET 3 HB1 MET 3 177.540 -3.563 -7.425 23 1HG MET 3 HG2 MET 3 176.588 -2.215 -5.853 24 2HG MET 3 HG1 MET 3 178.045 -1.245 -5.641 25 1HE MET 3 HE1 MET 3 175.181 -0.445 -5.659 26 2HE MET 3 HE2 MET 3 174.627 0.548 -7.006 27 3HE MET 3 HE3 MET 3 175.892 1.145 -5.933 28 H ASN 4 HN ASN 4 180.160 -4.574 -4.178 29 HA ASN 4 HA ASN 4 178.881 -7.115 -4.734 30 1HB ASN 4 HB2 ASN 4 180.966 -6.139 -2.855 31 2HB ASN 4 HB1 ASN 4 180.027 -7.541 -2.352 32 1HD2 ASN 4 HD21 ASN 4 179.964 -9.371 -3.824 33 2HD2 ASN 4 HD22 ASN 4 181.344 -9.699 -4.811 34 H ILE 5 HN ILE 5 176.732 -5.921 -4.531 35 HA ILE 5 HA ILE 5 175.852 -5.423 -1.818 36 HB ILE 5 HB ILE 5 173.597 -5.067 -2.926 37 1HG1 ILE 5 HG12 ILE 5 174.876 -6.373 -4.992 38 2HG1 ILE 5 HG11 ILE 5 173.292 -5.621 -5.072 39 1HG2 ILE 5 HG21 ILE 5 174.529 -3.039 -2.514 40 2HG2 ILE 5 HG22 ILE 5 174.556 -2.979 -4.271 41 3HG2 ILE 5 HG23 ILE 5 176.016 -3.416 -3.383 42 1HD1 ILE 5 HD11 ILE 5 175.903 -4.292 -5.781 43 2HD1 ILE 5 HD12 ILE 5 174.292 -3.589 -5.941 44 3HD1 ILE 5 HD13 ILE 5 174.754 -4.973 -6.932 45 H THR 6 HN THR 6 175.862 -7.335 -0.709 46 HA THR 6 HA THR 6 174.197 -9.509 -1.793 47 HB THR 6 HB THR 6 176.278 -9.737 0.383 48 HG1 THR 6 HG1 THR 6 177.687 -9.647 -1.145 49 1HG2 THR 6 HG21 THR 6 176.269 -12.145 -0.555 50 2HG2 THR 6 HG22 THR 6 174.669 -11.716 -1.162 51 3HG2 THR 6 HG23 THR 6 175.003 -11.644 0.567 52 H SER 7 HN SER 7 172.190 -9.096 -1.027 53 HA SER 7 HA SER 7 171.830 -8.349 1.769 54 1HB SER 7 HB2 SER 7 169.958 -8.495 -0.592 55 2HB SER 7 HB1 SER 7 169.382 -8.213 1.052 56 HG SER 7 HG SER 7 169.734 -6.236 0.067 57 H LYS 8 HN LYS 8 170.206 -9.487 3.088 58 HA LYS 8 HA LYS 8 170.640 -12.330 2.920 59 1HB LYS 8 HB2 LYS 8 170.677 -10.980 5.058 60 2HB LYS 8 HB1 LYS 8 168.930 -10.875 4.935 61 1HG LYS 8 HG2 LYS 8 169.375 -13.562 4.657 62 2HG LYS 8 HG1 LYS 8 170.620 -13.081 5.810 63 1HD LYS 8 HD2 LYS 8 167.683 -12.452 6.068 64 2HD LYS 8 HD1 LYS 8 168.511 -13.770 6.900 65 1HE LYS 8 HE2 LYS 8 169.734 -12.318 8.243 66 2HE LYS 8 HE1 LYS 8 169.486 -10.951 7.160 67 1HZ LYS 8 HZ1 LYS 8 167.873 -10.359 8.550 68 2HZ LYS 8 HZ2 LYS 8 167.876 -11.851 9.346 69 3HZ LYS 8 HZ3 LYS 8 166.967 -11.649 7.933 70 H GLN 9 HN GLN 9 167.535 -10.866 3.829 71 HA GLN 9 HA GLN 9 166.259 -12.644 1.862 72 1HB GLN 9 HB2 GLN 9 164.444 -12.961 3.315 73 2HB GLN 9 HB1 GLN 9 165.856 -13.046 4.354 74 1HG GLN 9 HG2 GLN 9 164.262 -10.523 4.012 75 2HG GLN 9 HG1 GLN 9 163.861 -11.746 5.213 76 1HE2 GLN 9 HE21 GLN 9 165.941 -9.165 4.359 77 2HE2 GLN 9 HE22 GLN 9 166.879 -9.142 5.810 78 H MET 10 HN MET 10 167.228 -9.785 1.625 79 HA MET 10 HA MET 10 164.866 -8.804 0.262 80 1HB MET 10 HB2 MET 10 164.580 -7.877 2.506 81 2HB MET 10 HB1 MET 10 166.203 -7.203 2.452 82 1HG MET 10 HG2 MET 10 165.385 -5.348 1.583 83 2HG MET 10 HG1 MET 10 164.861 -6.256 0.167 84 1HE MET 10 HE1 MET 10 161.924 -3.940 0.901 85 2HE MET 10 HE2 MET 10 162.155 -5.127 -0.382 86 3HE MET 10 HE3 MET 10 163.505 -4.118 0.138 87 H GLU 11 HN GLU 11 166.042 -9.036 -1.633 88 HA GLU 11 HA GLU 11 168.644 -8.245 -2.129 89 1HB GLU 11 HB2 GLU 11 168.042 -8.190 -4.487 90 2HB GLU 11 HB1 GLU 11 167.287 -9.568 -3.697 91 1HG GLU 11 HG2 GLU 11 165.748 -7.035 -3.937 92 2HG GLU 11 HG1 GLU 11 165.951 -8.052 -5.362 93 H ILE 12 HN ILE 12 168.970 -6.430 -3.987 94 HA ILE 12 HA ILE 12 168.373 -3.941 -2.604 95 HB ILE 12 HB ILE 12 169.906 -3.866 -5.138 96 1HG1 ILE 12 HG12 ILE 12 170.825 -5.912 -4.253 97 2HG1 ILE 12 HG11 ILE 12 171.982 -4.622 -3.952 98 1HG2 ILE 12 HG21 ILE 12 169.971 -2.554 -2.455 99 2HG2 ILE 12 HG22 ILE 12 169.837 -1.829 -4.057 100 3HG2 ILE 12 HG23 ILE 12 171.382 -2.480 -3.511 101 1HD1 ILE 12 HD11 ILE 12 171.840 -4.849 -1.736 102 2HD1 ILE 12 HD12 ILE 12 171.157 -6.431 -2.113 103 3HD1 ILE 12 HD13 ILE 12 170.091 -5.071 -1.768 104 H THR 13 HN THR 13 166.445 -3.084 -3.049 105 HA THR 13 HA THR 13 165.040 -3.471 -5.480 106 HB THR 13 HB THR 13 163.368 -2.083 -4.575 107 HG1 THR 13 HG1 THR 13 164.038 -0.219 -3.909 108 1HG2 THR 13 HG21 THR 13 162.879 -3.142 -2.675 109 2HG2 THR 13 HG22 THR 13 164.393 -2.666 -1.903 110 3HG2 THR 13 HG23 THR 13 164.356 -4.055 -2.989 111 HA PRO 14 HA PRO 14 166.549 -0.501 -8.350 112 1HB PRO 14 HB2 PRO 14 164.182 0.967 -8.800 113 2HB PRO 14 HB1 PRO 14 164.751 -0.426 -9.723 114 1HG PRO 14 HG2 PRO 14 162.749 -0.298 -7.526 115 2HG PRO 14 HG1 PRO 14 162.802 -1.362 -8.944 116 1HD PRO 14 HD2 PRO 14 163.434 -2.264 -6.505 117 2HD PRO 14 HD1 PRO 14 164.316 -2.816 -7.946 118 H ALA 15 HN ALA 15 164.446 0.751 -5.795 119 HA ALA 15 HA ALA 15 165.369 3.434 -5.952 120 1HB ALA 15 HB1 ALA 15 163.338 3.355 -4.913 121 2HB ALA 15 HB2 ALA 15 164.391 3.396 -3.498 122 3HB ALA 15 HB3 ALA 15 163.712 1.863 -4.049 123 H ILE 16 HN ILE 16 166.103 0.760 -3.718 124 HA ILE 16 HA ILE 16 168.047 2.187 -2.232 125 HB ILE 16 HB ILE 16 167.835 -0.809 -2.558 126 1HG1 ILE 16 HG12 ILE 16 166.510 1.007 -0.531 127 2HG1 ILE 16 HG11 ILE 16 165.691 0.188 -1.857 128 1HG2 ILE 16 HG21 ILE 16 168.712 0.342 -0.008 129 2HG2 ILE 16 HG22 ILE 16 169.816 0.615 -1.356 130 3HG2 ILE 16 HG23 ILE 16 169.349 -1.028 -0.918 131 1HD1 ILE 16 HD11 ILE 16 167.214 -1.339 0.219 132 2HD1 ILE 16 HD12 ILE 16 165.952 -1.908 -0.875 133 3HD1 ILE 16 HD13 ILE 16 165.539 -0.843 0.470 134 H ARG 17 HN ARG 17 168.328 -0.198 -4.858 135 HA ARG 17 HA ARG 17 171.112 -0.293 -4.998 136 1HB ARG 17 HB2 ARG 17 169.856 -1.936 -6.174 137 2HB ARG 17 HB1 ARG 17 168.978 -0.718 -7.086 138 1HG ARG 17 HG2 ARG 17 171.097 -0.113 -8.223 139 2HG ARG 17 HG1 ARG 17 171.885 -1.447 -7.377 140 1HD ARG 17 HD2 ARG 17 169.788 -2.752 -8.421 141 2HD ARG 17 HD1 ARG 17 169.971 -1.483 -9.631 142 HE ARG 17 HE ARG 17 171.749 -3.696 -9.147 143 1HH1 ARG 17 HH11 ARG 17 171.453 -0.489 -10.497 144 2HH1 ARG 17 HH12 ARG 17 172.790 -0.686 -11.578 145 1HH2 ARG 17 HH21 ARG 17 173.509 -3.955 -10.565 146 2HH2 ARG 17 HH22 ARG 17 173.957 -2.655 -11.618 147 H GLN 18 HN GLN 18 168.838 2.047 -6.257 148 HA GLN 18 HA GLN 18 170.692 3.368 -7.982 149 1HB GLN 18 HB2 GLN 18 167.918 3.779 -7.082 150 2HB GLN 18 HB1 GLN 18 168.794 5.258 -7.450 151 1HG GLN 18 HG2 GLN 18 169.221 3.283 -9.501 152 2HG GLN 18 HG1 GLN 18 167.500 3.561 -9.241 153 1HE2 GLN 18 HE21 GLN 18 170.249 5.769 -8.968 154 2HE2 GLN 18 HE22 GLN 18 169.693 6.891 -10.158 155 H HIS 19 HN HIS 19 169.644 3.792 -4.651 156 HA HIS 19 HA HIS 19 170.854 6.288 -4.177 157 1HB HIS 19 HB2 HIS 19 169.584 4.194 -2.606 158 2HB HIS 19 HB1 HIS 19 170.932 4.928 -1.746 159 HD1 HIS 19 HD1 HIS 19 168.356 6.588 -3.997 160 HD2 HIS 19 HD2 HIS 19 169.721 6.684 -0.074 161 HE1 HIS 19 HE1 HIS 19 167.115 8.479 -2.899 162 HE2 HIS 19 HE2 HIS 19 167.886 8.454 -0.500 163 H VAL 20 HN VAL 20 172.027 2.979 -3.619 164 HA VAL 20 HA VAL 20 174.553 3.767 -2.593 165 HB VAL 20 HB VAL 20 173.878 1.140 -3.920 166 1HG1 VAL 20 HG11 VAL 20 175.646 0.246 -2.496 167 2HG1 VAL 20 HG12 VAL 20 175.945 1.856 -1.843 168 3HG1 VAL 20 HG13 VAL 20 176.263 1.520 -3.545 169 1HG2 VAL 20 HG21 VAL 20 172.224 1.557 -2.223 170 2HG2 VAL 20 HG22 VAL 20 173.470 2.024 -1.066 171 3HG2 VAL 20 HG23 VAL 20 173.363 0.353 -1.619 172 H ALA 21 HN ALA 21 173.331 3.147 -5.814 173 HA ALA 21 HA ALA 21 175.743 2.848 -7.192 174 1HB ALA 21 HB1 ALA 21 173.475 2.423 -8.124 175 2HB ALA 21 HB2 ALA 21 174.514 3.376 -9.184 176 3HB ALA 21 HB3 ALA 21 173.247 4.166 -8.247 177 H ASP 22 HN ASP 22 173.798 5.808 -6.758 178 HA ASP 22 HA ASP 22 175.661 7.541 -7.960 179 1HB ASP 22 HB2 ASP 22 173.117 7.840 -7.167 180 2HB ASP 22 HB1 ASP 22 173.921 8.604 -5.798 181 H ARG 23 HN ARG 23 175.021 6.863 -4.523 182 HA ARG 23 HA ARG 23 176.995 8.535 -3.463 183 1HB ARG 23 HB2 ARG 23 175.166 7.470 -2.158 184 2HB ARG 23 HB1 ARG 23 175.996 5.927 -2.304 185 1HG ARG 23 HG2 ARG 23 177.587 8.152 -1.204 186 2HG ARG 23 HG1 ARG 23 176.260 7.565 -0.200 187 1HD ARG 23 HD2 ARG 23 178.519 5.926 -1.343 188 2HD ARG 23 HD1 ARG 23 178.297 6.377 0.346 189 HE ARG 23 HE ARG 23 176.025 4.986 -0.541 190 1HH1 ARG 23 HH11 ARG 23 179.390 4.428 0.198 191 2HH1 ARG 23 HH12 ARG 23 179.147 2.773 0.643 192 1HH2 ARG 23 HH21 ARG 23 175.704 2.808 0.044 193 2HH2 ARG 23 HH22 ARG 23 177.055 1.852 0.555 194 H LEU 24 HN LEU 24 177.149 5.170 -4.528 195 HA LEU 24 HA LEU 24 179.713 4.555 -3.604 196 1HB LEU 24 HB2 LEU 24 178.195 2.855 -4.431 197 2HB LEU 24 HB1 LEU 24 178.242 3.551 -6.039 198 HG LEU 24 HG LEU 24 180.913 3.015 -5.444 199 1HD1 LEU 24 HD11 LEU 24 179.854 1.631 -3.540 200 2HD1 LEU 24 HD12 LEU 24 181.085 0.880 -4.557 201 3HD1 LEU 24 HD13 LEU 24 179.380 0.521 -4.826 202 1HD2 LEU 24 HD21 LEU 24 180.066 2.751 -7.629 203 2HD2 LEU 24 HD22 LEU 24 178.844 1.595 -7.099 204 3HD2 LEU 24 HD23 LEU 24 180.548 1.137 -7.104 205 H ALA 25 HN ALA 25 178.673 5.924 -6.712 206 HA ALA 25 HA ALA 25 181.336 6.124 -7.739 207 1HB ALA 25 HB1 ALA 25 179.941 7.806 -9.315 208 2HB ALA 25 HB2 ALA 25 178.627 6.830 -8.659 209 3HB ALA 25 HB3 ALA 25 179.955 6.053 -9.519 210 H LYS 26 HN LYS 26 179.123 8.302 -6.085 211 HA LYS 26 HA LYS 26 180.580 10.685 -6.519 212 1HB LYS 26 HB2 LYS 26 178.652 9.929 -4.317 213 2HB LYS 26 HB1 LYS 26 179.270 11.555 -4.578 214 1HG LYS 26 HG2 LYS 26 178.191 10.534 -7.026 215 2HG LYS 26 HG1 LYS 26 177.008 10.356 -5.729 216 1HD LYS 26 HD2 LYS 26 176.756 12.510 -6.847 217 2HD LYS 26 HD1 LYS 26 177.266 12.728 -5.171 218 1HE LYS 26 HE2 LYS 26 179.428 13.336 -5.780 219 2HE LYS 26 HE1 LYS 26 179.284 12.612 -7.381 220 1HZ LYS 26 HZ1 LYS 26 178.260 15.193 -6.412 221 2HZ LYS 26 HZ2 LYS 26 177.462 14.413 -7.682 222 3HZ LYS 26 HZ3 LYS 26 179.092 14.837 -7.843 223 H LEU 27 HN LEU 27 180.663 8.264 -3.946 224 HA LEU 27 HA LEU 27 182.458 9.648 -2.257 225 1HB LEU 27 HB2 LEU 27 180.963 7.364 -2.063 226 2HB LEU 27 HB1 LEU 27 182.590 6.717 -2.174 227 HG LEU 27 HG LEU 27 182.155 8.920 -0.235 228 1HD1 LEU 27 HD11 LEU 27 180.343 7.872 0.609 229 2HD1 LEU 27 HD12 LEU 27 181.565 6.836 1.348 230 3HD1 LEU 27 HD13 LEU 27 180.756 6.326 -0.133 231 1HD2 LEU 27 HD21 LEU 27 183.903 7.929 0.907 232 2HD2 LEU 27 HD22 LEU 27 184.312 7.579 -0.772 233 3HD2 LEU 27 HD23 LEU 27 183.575 6.332 0.234 234 H GLU 28 HN GLU 28 182.955 8.157 -5.254 235 HA GLU 28 HA GLU 28 185.519 7.065 -4.952 236 1HB GLU 28 HB2 GLU 28 184.163 6.608 -6.911 237 2HB GLU 28 HB1 GLU 28 184.205 8.303 -7.375 238 1HG GLU 28 HG2 GLU 28 185.726 6.811 -8.671 239 2HG GLU 28 HG1 GLU 28 186.508 8.194 -7.908 240 H LYS 29 HN LYS 29 184.510 10.330 -4.869 241 HA LYS 29 HA LYS 29 187.136 11.323 -5.666 242 1HB LYS 29 HB2 LYS 29 186.141 13.546 -5.540 243 2HB LYS 29 HB1 LYS 29 185.155 12.482 -6.531 244 1HG LYS 29 HG2 LYS 29 183.438 13.213 -5.323 245 2HG LYS 29 HG1 LYS 29 184.053 12.165 -4.043 246 1HD LYS 29 HD2 LYS 29 185.557 14.526 -3.881 247 2HD LYS 29 HD1 LYS 29 183.889 15.041 -4.139 248 1HE LYS 29 HE2 LYS 29 183.140 13.820 -2.231 249 2HE LYS 29 HE1 LYS 29 184.706 13.032 -2.050 250 1HZ LYS 29 HZ1 LYS 29 185.034 14.657 -0.556 251 2HZ LYS 29 HZ2 LYS 29 183.859 15.676 -1.221 252 3HZ LYS 29 HZ3 LYS 29 185.403 15.604 -1.909 253 H TRP 30 HN TRP 30 186.641 9.810 -3.137 254 HA TRP 30 HA TRP 30 187.264 11.852 -1.136 255 1HB TRP 30 HB2 TRP 30 186.030 9.217 -1.085 256 2HB TRP 30 HB1 TRP 30 187.313 9.347 0.111 257 HD1 TRP 30 HD1 TRP 30 183.844 10.666 -0.720 258 HE1 TRP 30 HE1 TRP 30 182.921 11.940 1.316 259 HE3 TRP 30 HE3 TRP 30 188.061 10.754 2.176 260 HZ2 TRP 30 HZ2 TRP 30 183.852 12.860 3.814 261 HZ3 TRP 30 HZ3 TRP 30 187.959 11.852 4.373 262 HH2 TRP 30 HH2 TRP 30 185.897 12.883 5.174 263 H GLN 31 HN GLN 31 188.849 10.265 0.570 264 HA GLN 31 HA GLN 31 191.378 10.406 -0.848 265 1HB GLN 31 HB2 GLN 31 190.992 11.342 1.476 266 2HB GLN 31 HB1 GLN 31 190.921 9.680 2.040 267 1HG GLN 31 HG2 GLN 31 193.125 10.774 2.356 268 2HG GLN 31 HG1 GLN 31 193.183 9.286 1.413 269 1HE2 GLN 31 HE21 GLN 31 194.719 9.486 -0.047 270 2HE2 GLN 31 HE22 GLN 31 194.979 10.853 -1.069 271 H THR 32 HN THR 32 189.717 8.342 -1.741 272 HA THR 32 HA THR 32 191.457 6.082 -1.332 273 HB THR 32 HB THR 32 190.069 5.650 0.537 274 HG1 THR 32 HG1 THR 32 188.969 4.167 -1.607 275 1HG2 THR 32 HG21 THR 32 188.170 7.194 -0.572 276 2HG2 THR 32 HG22 THR 32 187.889 6.095 0.778 277 3HG2 THR 32 HG23 THR 32 187.492 5.594 -0.865 278 H HIS 33 HN HIS 33 190.852 4.236 -2.757 279 HA HIS 33 HA HIS 33 189.668 5.266 -5.241 280 1HB HIS 33 HB2 HIS 33 191.378 2.798 -4.926 281 2HB HIS 33 HB1 HIS 33 190.967 3.636 -6.417 282 HD1 HIS 33 HD1 HIS 33 193.120 4.538 -7.244 283 HD2 HIS 33 HD2 HIS 33 192.633 5.184 -3.169 284 HE1 HIS 33 HE1 HIS 33 195.091 5.934 -6.545 285 HE2 HIS 33 HE2 HIS 33 194.822 6.235 -4.057 286 H LEU 34 HN LEU 34 189.392 2.743 -2.850 287 HA LEU 34 HA LEU 34 187.785 1.189 -2.433 288 1HB LEU 34 HB2 LEU 34 186.174 2.652 -4.525 289 2HB LEU 34 HB1 LEU 34 185.552 1.497 -3.367 290 HG LEU 34 HG LEU 34 184.931 3.591 -2.526 291 1HD1 LEU 34 HD11 LEU 34 185.624 3.258 -0.442 292 2HD1 LEU 34 HD12 LEU 34 187.296 3.632 -0.856 293 3HD1 LEU 34 HD13 LEU 34 186.676 1.998 -1.085 294 1HD2 LEU 34 HD21 LEU 34 186.509 4.813 -4.069 295 2HD2 LEU 34 HD22 LEU 34 187.735 4.611 -2.823 296 3HD2 LEU 34 HD23 LEU 34 186.271 5.526 -2.475 297 H ILE 35 HN ILE 35 187.678 -0.862 -3.047 298 HA ILE 35 HA ILE 35 187.793 -1.468 -5.926 299 HB ILE 35 HB ILE 35 189.251 -3.406 -5.446 300 1HG1 ILE 35 HG12 ILE 35 189.228 -2.212 -2.678 301 2HG1 ILE 35 HG11 ILE 35 188.871 -3.868 -3.151 302 1HG2 ILE 35 HG21 ILE 35 190.418 -0.763 -4.583 303 2HG2 ILE 35 HG22 ILE 35 190.148 -1.261 -6.252 304 3HG2 ILE 35 HG23 ILE 35 191.304 -2.136 -5.248 305 1HD1 ILE 35 HD11 ILE 35 190.945 -4.250 -2.401 306 2HD1 ILE 35 HD12 ILE 35 191.441 -2.569 -2.598 307 3HD1 ILE 35 HD13 ILE 35 191.426 -3.654 -3.989 308 H ASN 36 HN ASN 36 187.201 -2.941 -2.722 309 HA ASN 36 HA ASN 36 185.146 -4.628 -3.987 310 1HB ASN 36 HB2 ASN 36 187.247 -5.507 -2.573 311 2HB ASN 36 HB1 ASN 36 186.111 -5.256 -1.251 312 1HD2 ASN 36 HD21 ASN 36 186.784 -7.715 -1.433 313 2HD2 ASN 36 HD22 ASN 36 185.610 -8.697 -2.236 314 HA PRO 37 HA PRO 37 182.777 -1.744 -1.262 315 1HB PRO 37 HB2 PRO 37 180.927 -0.996 -3.039 316 2HB PRO 37 HB1 PRO 37 182.548 -0.287 -3.051 317 1HG PRO 37 HG2 PRO 37 181.416 -2.454 -4.783 318 2HG PRO 37 HG1 PRO 37 182.418 -1.067 -5.242 319 1HD PRO 37 HD2 PRO 37 183.396 -3.599 -4.853 320 2HD PRO 37 HD1 PRO 37 184.362 -2.125 -4.653 321 H HIS 38 HN HIS 38 182.189 -3.716 -0.113 322 HA HIS 38 HA HIS 38 180.069 -5.373 -1.117 323 1HB HIS 38 HB2 HIS 38 181.947 -5.476 1.033 324 2HB HIS 38 HB1 HIS 38 180.331 -5.671 1.705 325 HD1 HIS 38 HD1 HIS 38 182.994 -7.582 0.299 326 HD2 HIS 38 HD2 HIS 38 178.847 -7.789 0.153 327 HE1 HIS 38 HE1 HIS 38 182.463 -9.933 -0.415 328 HE2 HIS 38 HE2 HIS 38 179.951 -10.010 -0.581 329 H ILE 39 HN ILE 39 177.925 -5.430 -0.463 330 HA ILE 39 HA ILE 39 176.984 -3.315 1.330 331 HB ILE 39 HB ILE 39 175.848 -3.757 -1.440 332 1HG1 ILE 39 HG12 ILE 39 178.024 -2.563 -1.415 333 2HG1 ILE 39 HG11 ILE 39 176.696 -1.544 -1.961 334 1HG2 ILE 39 HG21 ILE 39 174.761 -1.444 -0.567 335 2HG2 ILE 39 HG22 ILE 39 174.878 -2.332 0.953 336 3HG2 ILE 39 HG23 ILE 39 173.983 -3.019 -0.404 337 1HD1 ILE 39 HD11 ILE 39 177.185 -0.050 -0.414 338 2HD1 ILE 39 HD12 ILE 39 178.548 -1.046 0.097 339 3HD1 ILE 39 HD13 ILE 39 176.968 -1.254 0.855 340 H ILE 40 HN ILE 40 176.060 -4.519 2.877 341 HA ILE 40 HA ILE 40 174.330 -6.755 2.073 342 HB ILE 40 HB ILE 40 175.366 -6.166 4.844 343 1HG1 ILE 40 HG12 ILE 40 176.471 -8.065 2.761 344 2HG1 ILE 40 HG11 ILE 40 177.244 -6.582 3.315 345 1HG2 ILE 40 HG21 ILE 40 174.649 -8.900 4.039 346 2HG2 ILE 40 HG22 ILE 40 173.305 -7.760 4.116 347 3HG2 ILE 40 HG23 ILE 40 174.316 -8.028 5.537 348 1HD1 ILE 40 HD11 ILE 40 176.717 -8.096 5.615 349 2HD1 ILE 40 HD12 ILE 40 178.279 -7.769 4.863 350 3HD1 ILE 40 HD13 ILE 40 177.370 -9.214 4.418 351 H LEU 41 HN LEU 41 172.398 -5.724 1.623 352 HA LEU 41 HA LEU 41 171.251 -4.043 3.742 353 1HB LEU 41 HB2 LEU 41 171.260 -2.930 1.641 354 2HB LEU 41 HB1 LEU 41 170.620 -4.336 0.814 355 HG LEU 41 HG LEU 41 168.746 -3.565 2.820 356 1HD1 LEU 41 HD11 LEU 41 169.651 -1.310 1.039 357 2HD1 LEU 41 HD12 LEU 41 169.729 -1.364 2.800 358 3HD1 LEU 41 HD13 LEU 41 168.165 -1.319 1.987 359 1HD2 LEU 41 HD21 LEU 41 168.274 -4.790 0.742 360 2HD2 LEU 41 HD22 LEU 41 168.635 -3.335 -0.186 361 3HD2 LEU 41 HD23 LEU 41 167.258 -3.359 0.913 362 H SER 42 HN SER 42 170.322 -5.413 5.179 363 HA SER 42 HA SER 42 168.414 -7.394 4.123 364 1HB SER 42 HB2 SER 42 169.959 -7.363 6.724 365 2HB SER 42 HB1 SER 42 168.687 -8.527 6.346 366 HG SER 42 HG SER 42 171.281 -8.422 5.480 367 H LYS 43 HN LYS 43 166.315 -7.279 4.700 368 HA LYS 43 HA LYS 43 165.456 -4.944 6.186 369 1HB LYS 43 HB2 LYS 43 164.387 -5.869 4.020 370 2HB LYS 43 HB1 LYS 43 163.627 -7.056 5.073 371 1HG LYS 43 HG2 LYS 43 163.372 -4.221 5.864 372 2HG LYS 43 HG1 LYS 43 162.489 -4.735 4.426 373 1HD LYS 43 HD2 LYS 43 161.168 -6.218 5.609 374 2HD LYS 43 HD1 LYS 43 162.337 -6.373 6.920 375 1HE LYS 43 HE2 LYS 43 160.415 -5.113 7.676 376 2HE LYS 43 HE1 LYS 43 161.832 -4.066 7.613 377 1HZ LYS 43 HZ1 LYS 43 160.801 -3.692 5.179 378 2HZ LYS 43 HZ2 LYS 43 160.439 -2.716 6.512 379 3HZ LYS 43 HZ3 LYS 43 159.385 -3.961 6.066 380 H GLU 44 HN GLU 44 165.476 -5.068 8.334 381 HA GLU 44 HA GLU 44 164.770 -7.610 9.613 382 1HB GLU 44 HB2 GLU 44 166.677 -5.538 10.199 383 2HB GLU 44 HB1 GLU 44 165.592 -5.750 11.566 384 1HG GLU 44 HG2 GLU 44 166.220 -8.334 10.849 385 2HG GLU 44 HG1 GLU 44 167.729 -7.458 10.602 386 HA PRO 45 HA PRO 45 160.728 -6.598 10.996 387 1HB PRO 45 HB2 PRO 45 161.413 -6.912 13.784 388 2HB PRO 45 HB1 PRO 45 160.480 -7.990 12.757 389 1HG PRO 45 HG2 PRO 45 163.297 -8.139 13.539 390 2HG PRO 45 HG1 PRO 45 162.246 -9.408 12.894 391 1HD PRO 45 HD2 PRO 45 164.273 -8.313 11.468 392 2HD PRO 45 HD1 PRO 45 162.780 -8.911 10.711 393 H GLN 46 HN GLN 46 163.220 -5.403 13.233 394 HA GLN 46 HA GLN 46 161.661 -2.959 13.597 395 1HB GLN 46 HB2 GLN 46 162.773 -4.613 15.409 396 2HB GLN 46 HB1 GLN 46 164.075 -3.440 15.228 397 1HG GLN 46 HG2 GLN 46 163.000 -1.946 16.460 398 2HG GLN 46 HG1 GLN 46 161.534 -2.113 15.496 399 1HE2 GLN 46 HE21 GLN 46 160.862 -4.719 15.959 400 2HE2 GLN 46 HE22 GLN 46 160.461 -4.935 17.626 401 H GLY 47 HN GLY 47 162.831 -2.874 11.156 402 1HA GLY 47 HA2 GLY 47 163.870 -0.733 10.436 403 2HA GLY 47 HA1 GLY 47 165.134 -1.071 11.601 404 H PHE 48 HN PHE 48 165.781 -0.462 9.047 405 HA PHE 48 HA PHE 48 166.279 -2.916 7.567 406 1HB PHE 48 HB2 PHE 48 166.115 -0.115 6.941 407 2HB PHE 48 HB1 PHE 48 167.667 -0.734 6.400 408 HD1 PHE 48 HD1 PHE 48 166.786 -3.532 5.682 409 HD2 PHE 48 HD2 PHE 48 165.058 0.279 4.914 410 HE1 PHE 48 HE1 PHE 48 165.706 -4.432 3.663 411 HE2 PHE 48 HE2 PHE 48 163.974 -0.610 2.896 412 HZ PHE 48 HZ PHE 48 164.296 -2.971 2.267 413 H VAL 49 HN VAL 49 168.235 -3.919 7.395 414 HA VAL 49 HA VAL 49 170.427 -2.833 9.037 415 HB VAL 49 HB VAL 49 170.155 -5.709 8.179 416 1HG1 VAL 49 HG11 VAL 49 172.277 -5.633 8.932 417 2HG1 VAL 49 HG12 VAL 49 171.507 -5.704 10.518 418 3HG1 VAL 49 HG13 VAL 49 172.009 -4.150 9.850 419 1HG2 VAL 49 HG21 VAL 49 168.454 -5.948 9.587 420 2HG2 VAL 49 HG22 VAL 49 168.595 -4.277 10.134 421 3HG2 VAL 49 HG23 VAL 49 169.557 -5.540 10.901 422 H ALA 50 HN ALA 50 171.465 -1.596 7.504 423 HA ALA 50 HA ALA 50 172.344 -2.923 5.039 424 1HB ALA 50 HB1 ALA 50 172.748 -0.765 4.131 425 2HB ALA 50 HB2 ALA 50 172.604 -0.001 5.714 426 3HB ALA 50 HB3 ALA 50 171.181 -0.696 4.938 427 H ASP 51 HN ASP 51 174.020 -4.183 5.891 428 HA ASP 51 HA ASP 51 176.221 -2.798 7.226 429 1HB ASP 51 HB2 ASP 51 175.139 -5.450 7.335 430 2HB ASP 51 HB1 ASP 51 176.831 -5.545 6.855 431 H ALA 52 HN ALA 52 177.154 -1.644 5.555 432 HA ALA 52 HA ALA 52 178.024 -3.062 3.162 433 1HB ALA 52 HB1 ALA 52 177.001 -0.798 3.018 434 2HB ALA 52 HB2 ALA 52 178.598 -0.908 2.278 435 3HB ALA 52 HB3 ALA 52 178.409 -0.156 3.862 436 H THR 53 HN THR 53 180.234 -2.969 2.435 437 HA THR 53 HA THR 53 182.280 -2.298 4.380 438 HB THR 53 HB THR 53 182.897 -4.930 3.378 439 HG1 THR 53 HG1 THR 53 180.545 -4.790 4.949 440 1HG2 THR 53 HG21 THR 53 182.470 -3.820 6.135 441 2HG2 THR 53 HG22 THR 53 183.999 -4.137 5.315 442 3HG2 THR 53 HG23 THR 53 182.970 -5.481 5.813 443 H ILE 54 HN ILE 54 183.373 -0.933 3.091 444 HA ILE 54 HA ILE 54 183.963 -1.741 0.336 445 HB ILE 54 HB ILE 54 184.645 0.931 1.523 446 1HG1 ILE 54 HG12 ILE 54 182.001 0.079 0.317 447 2HG1 ILE 54 HG11 ILE 54 182.273 0.589 1.980 448 1HG2 ILE 54 HG21 ILE 54 185.634 0.410 -0.621 449 2HG2 ILE 54 HG22 ILE 54 184.400 1.655 -0.822 450 3HG2 ILE 54 HG23 ILE 54 184.054 -0.014 -1.278 451 1HD1 ILE 54 HD11 ILE 54 181.410 2.496 1.071 452 2HD1 ILE 54 HD12 ILE 54 182.145 2.209 -0.507 453 3HD1 ILE 54 HD13 ILE 54 183.135 2.779 0.836 454 H ASN 55 HN ASN 55 186.035 -1.923 -0.454 455 HA ASN 55 HA ASN 55 188.110 -2.236 1.582 456 1HB ASN 55 HB2 ASN 55 187.444 -3.601 -0.880 457 2HB ASN 55 HB1 ASN 55 189.129 -3.088 -0.888 458 1HD2 ASN 55 HD21 ASN 55 190.198 -3.486 1.360 459 2HD2 ASN 55 HD22 ASN 55 189.961 -5.075 1.995 460 H THR 56 HN THR 56 188.855 -0.189 1.942 461 HA THR 56 HA THR 56 189.713 1.447 -0.321 462 HB THR 56 HB THR 56 189.842 3.254 1.187 463 HG1 THR 56 HG1 THR 56 189.688 1.454 3.363 464 1HG2 THR 56 HG21 THR 56 187.721 1.928 2.727 465 2HG2 THR 56 HG22 THR 56 187.496 1.985 0.979 466 3HG2 THR 56 HG23 THR 56 187.725 3.479 1.888 467 HA PRO 57 HA PRO 57 194.017 0.526 0.094 468 1HB PRO 57 HB2 PRO 57 195.228 2.950 -0.145 469 2HB PRO 57 HB1 PRO 57 194.504 2.091 -1.509 470 1HG PRO 57 HG2 PRO 57 193.402 4.345 0.111 471 2HG PRO 57 HG1 PRO 57 193.313 4.072 -1.639 472 1HD PRO 57 HD2 PRO 57 191.257 3.544 0.053 473 2HD PRO 57 HD1 PRO 57 191.525 2.638 -1.447 474 H ASN 58 HN ASN 58 192.477 2.572 2.348 475 HA ASN 58 HA ASN 58 194.778 2.412 4.176 476 1HB ASN 58 HB2 ASN 58 192.912 4.120 5.351 477 2HB ASN 58 HB1 ASN 58 194.392 4.594 4.528 478 1HD2 ASN 58 HD21 ASN 58 191.147 5.059 4.670 479 2HD2 ASN 58 HD22 ASN 58 190.876 5.707 3.090 480 H GLY 59 HN GLY 59 192.670 0.355 3.532 481 1HA GLY 59 HA2 GLY 59 192.262 -1.328 5.299 482 2HA GLY 59 HA1 GLY 59 191.668 -0.003 6.290 483 H VAL 60 HN VAL 60 189.840 -1.635 6.396 484 HA VAL 60 HA VAL 60 188.035 -1.361 4.085 485 HB VAL 60 HB VAL 60 187.938 -3.328 6.379 486 1HG1 VAL 60 HG11 VAL 60 186.229 -4.430 4.782 487 2HG1 VAL 60 HG12 VAL 60 186.090 -2.819 4.080 488 3HG1 VAL 60 HG13 VAL 60 185.710 -3.074 5.783 489 1HG2 VAL 60 HG21 VAL 60 189.091 -4.784 5.128 490 2HG2 VAL 60 HG22 VAL 60 189.598 -3.369 4.205 491 3HG2 VAL 60 HG23 VAL 60 188.232 -4.339 3.653 492 H LEU 61 HN LEU 61 186.336 -0.056 4.244 493 HA LEU 61 HA LEU 61 185.650 1.034 6.872 494 1HB LEU 61 HB2 LEU 61 185.410 1.993 4.074 495 2HB LEU 61 HB1 LEU 61 184.176 2.516 5.204 496 HG LEU 61 HG LEU 61 186.487 3.011 6.605 497 1HD1 LEU 61 HD11 LEU 61 187.850 2.493 4.636 498 2HD1 LEU 61 HD12 LEU 61 187.987 4.189 5.102 499 3HD1 LEU 61 HD13 LEU 61 186.990 3.731 3.721 500 1HD2 LEU 61 HD21 LEU 61 185.566 5.205 4.874 501 2HD2 LEU 61 HD22 LEU 61 185.698 5.116 6.629 502 3HD2 LEU 61 HD23 LEU 61 184.309 4.399 5.814 503 H VAL 62 HN VAL 62 184.046 0.079 7.923 504 HA VAL 62 HA VAL 62 182.002 -1.386 6.451 505 HB VAL 62 HB VAL 62 182.983 -2.499 8.375 506 1HG1 VAL 62 HG11 VAL 62 183.526 -1.403 10.224 507 2HG1 VAL 62 HG12 VAL 62 181.829 -1.041 10.535 508 3HG1 VAL 62 HG13 VAL 62 182.802 0.062 9.562 509 1HG2 VAL 62 HG21 VAL 62 180.297 -2.300 7.834 510 2HG2 VAL 62 HG22 VAL 62 180.369 -1.996 9.570 511 3HG2 VAL 62 HG23 VAL 62 181.045 -3.482 8.907 512 H ALA 63 HN ALA 63 180.555 0.021 5.603 513 HA ALA 63 HA ALA 63 179.516 2.211 7.215 514 1HB ALA 63 HB1 ALA 63 178.354 1.687 4.557 515 2HB ALA 63 HB2 ALA 63 180.075 2.067 4.586 516 3HB ALA 63 HB3 ALA 63 178.910 3.197 5.276 517 H SER 64 HN SER 64 178.310 1.151 8.795 518 HA SER 64 HA SER 64 176.175 -0.642 7.979 519 1HB SER 64 HB2 SER 64 176.503 0.307 10.796 520 2HB SER 64 HB1 SER 64 175.998 -1.273 10.197 521 HG SER 64 HG SER 64 178.610 -0.180 10.259 522 H GLY 65 HN GLY 65 174.471 0.346 7.099 523 1HA GLY 65 HA2 GLY 65 173.496 2.842 8.308 524 2HA GLY 65 HA1 GLY 65 173.091 2.259 6.701 525 H LYS 66 HN LYS 66 172.326 2.153 10.065 526 HA LYS 66 HA LYS 66 170.145 0.255 9.558 527 1HB LYS 66 HB2 LYS 66 169.996 0.403 12.164 528 2HB LYS 66 HB1 LYS 66 171.251 -0.568 11.409 529 1HG LYS 66 HG2 LYS 66 172.863 1.219 11.739 530 2HG LYS 66 HG1 LYS 66 171.606 2.239 12.443 531 1HD LYS 66 HD2 LYS 66 171.488 0.978 14.379 532 2HD LYS 66 HD1 LYS 66 172.152 -0.461 13.604 533 1HE LYS 66 HE2 LYS 66 174.293 0.993 13.348 534 2HE LYS 66 HE1 LYS 66 173.567 1.970 14.625 535 1HZ LYS 66 HZ1 LYS 66 175.121 0.164 15.370 536 2HZ LYS 66 HZ2 LYS 66 173.956 -0.957 14.875 537 3HZ LYS 66 HZ3 LYS 66 173.594 0.153 16.100 538 H HIS 67 HN HIS 67 168.109 0.933 9.454 539 HA HIS 67 HA HIS 67 166.957 2.941 11.024 540 1HB HIS 67 HB2 HIS 67 168.558 4.171 9.249 541 2HB HIS 67 HB1 HIS 67 167.103 4.035 8.269 542 HD1 HIS 67 HD1 HIS 67 168.672 6.172 10.698 543 HD2 HIS 67 HD2 HIS 67 164.760 5.209 9.686 544 HE1 HIS 67 HE1 HIS 67 167.255 8.008 11.669 545 HE2 HIS 67 HE2 HIS 67 164.901 7.450 10.967 546 H GLU 68 HN GLU 68 164.732 3.102 10.708 547 HA GLU 68 HA GLU 68 163.444 0.920 9.561 548 1HB GLU 68 HB2 GLU 68 162.530 2.489 11.317 549 2HB GLU 68 HB1 GLU 68 162.177 3.620 10.016 550 1HG GLU 68 HG2 GLU 68 160.162 2.590 10.190 551 2HG GLU 68 HG1 GLU 68 160.928 1.538 9.001 552 H ASP 69 HN ASP 69 163.835 4.209 8.283 553 HA ASP 69 HA ASP 69 162.443 3.631 5.852 554 1HB ASP 69 HB2 ASP 69 163.810 5.943 7.052 555 2HB ASP 69 HB1 ASP 69 163.909 5.872 5.295 556 H MET 70 HN MET 70 163.250 3.175 3.839 557 HA MET 70 HA MET 70 165.710 1.775 3.728 558 1HB MET 70 HB2 MET 70 165.224 1.422 1.396 559 2HB MET 70 HB1 MET 70 163.739 1.251 2.316 560 1HG MET 70 HG2 MET 70 163.329 3.716 1.696 561 2HG MET 70 HG1 MET 70 164.564 3.449 0.467 562 1HE MET 70 HE1 MET 70 162.931 0.452 -1.536 563 2HE MET 70 HE2 MET 70 164.097 0.420 -0.216 564 3HE MET 70 HE3 MET 70 164.282 1.587 -1.526 565 H TYR 71 HN TYR 71 164.690 4.872 2.287 566 HA TYR 71 HA TYR 71 167.228 5.465 1.190 567 1HB TYR 71 HB2 TYR 71 164.805 7.148 1.792 568 2HB TYR 71 HB1 TYR 71 166.278 7.851 1.133 569 HD1 TYR 71 HD1 TYR 71 163.413 7.670 -0.092 570 HD2 TYR 71 HD2 TYR 71 166.966 5.388 -0.622 571 HE1 TYR 71 HE1 TYR 71 162.680 7.059 -2.358 572 HE2 TYR 71 HE2 TYR 71 166.245 4.771 -2.883 573 HH TYR 71 HH TYR 71 163.144 5.129 -3.990 574 H THR 72 HN THR 72 165.812 5.955 4.333 575 HA THR 72 HA THR 72 167.725 7.875 5.230 576 HB THR 72 HB THR 72 166.131 5.986 6.964 577 HG1 THR 72 HG1 THR 72 164.581 7.745 6.951 578 1HG2 THR 72 HG21 THR 72 166.926 8.825 7.526 579 2HG2 THR 72 HG22 THR 72 167.879 7.433 8.038 580 3HG2 THR 72 HG23 THR 72 166.233 7.644 8.638 581 H ALA 73 HN ALA 73 167.588 4.407 5.033 582 HA ALA 73 HA ALA 73 169.701 3.821 6.829 583 1HB ALA 73 HB1 ALA 73 169.262 1.677 6.326 584 2HB ALA 73 HB2 ALA 73 169.357 1.964 4.589 585 3HB ALA 73 HB3 ALA 73 167.869 2.329 5.463 586 H ILE 74 HN ILE 74 169.600 4.030 3.269 587 HA ILE 74 HA ILE 74 172.345 3.632 2.850 588 HB ILE 74 HB ILE 74 171.474 5.487 0.868 589 1HG1 ILE 74 HG12 ILE 74 169.161 4.824 1.755 590 2HG1 ILE 74 HG11 ILE 74 169.448 4.633 0.031 591 1HG2 ILE 74 HG21 ILE 74 172.103 2.568 0.968 592 2HG2 ILE 74 HG22 ILE 74 173.021 3.891 0.250 593 3HG2 ILE 74 HG23 ILE 74 171.544 3.320 -0.526 594 1HD1 ILE 74 HD11 ILE 74 168.253 2.731 0.822 595 2HD1 ILE 74 HD12 ILE 74 169.424 2.464 2.113 596 3HD1 ILE 74 HD13 ILE 74 169.896 2.226 0.431 597 H ASN 75 HN ASN 75 170.526 6.513 3.657 598 HA ASN 75 HA ASN 75 172.530 8.422 3.150 599 1HB ASN 75 HB2 ASN 75 170.024 8.344 4.759 600 2HB ASN 75 HB1 ASN 75 171.169 9.639 5.096 601 1HD2 ASN 75 HD21 ASN 75 170.358 8.058 2.042 602 2HD2 ASN 75 HD22 ASN 75 169.805 9.488 1.246 603 H GLU 76 HN GLU 76 171.476 7.170 6.326 604 HA GLU 76 HA GLU 76 173.578 8.210 7.816 605 1HB GLU 76 HB2 GLU 76 171.533 6.135 8.183 606 2HB GLU 76 HB1 GLU 76 172.989 5.869 9.132 607 1HG GLU 76 HG2 GLU 76 172.670 8.386 9.768 608 2HG GLU 76 HG1 GLU 76 171.004 8.080 9.282 609 H LEU 77 HN LEU 77 173.496 5.459 5.701 610 HA LEU 77 HA LEU 77 175.720 4.051 6.712 611 1HB LEU 77 HB2 LEU 77 174.094 3.071 5.165 612 2HB LEU 77 HB1 LEU 77 174.620 4.168 3.904 613 HG LEU 77 HG LEU 77 176.610 2.322 5.154 614 1HD1 LEU 77 HD11 LEU 77 175.222 0.616 4.620 615 2HD1 LEU 77 HD12 LEU 77 175.905 0.889 3.018 616 3HD1 LEU 77 HD13 LEU 77 174.329 1.565 3.431 617 1HD2 LEU 77 HD21 LEU 77 176.285 3.811 2.582 618 2HD2 LEU 77 HD22 LEU 77 177.326 2.389 2.655 619 3HD2 LEU 77 HD23 LEU 77 177.654 3.776 3.694 620 H ILE 78 HN ILE 78 175.509 6.211 3.872 621 HA ILE 78 HA ILE 78 178.223 6.272 3.277 622 HB ILE 78 HB ILE 78 176.612 7.128 1.711 623 1HG1 ILE 78 HG12 ILE 78 179.033 8.187 2.067 624 2HG1 ILE 78 HG11 ILE 78 177.937 8.773 0.825 625 1HG2 ILE 78 HG21 ILE 78 175.980 9.109 3.866 626 2HG2 ILE 78 HG22 ILE 78 174.893 8.039 2.982 627 3HG2 ILE 78 HG23 ILE 78 175.604 9.437 2.176 628 1HD1 ILE 78 HD11 ILE 78 178.966 10.618 1.984 629 2HD1 ILE 78 HD12 ILE 78 178.387 10.007 3.533 630 3HD1 ILE 78 HD13 ILE 78 177.237 10.584 2.329 631 H ASN 79 HN ASN 79 176.380 8.211 5.578 632 HA ASN 79 HA ASN 79 178.339 10.126 6.155 633 1HB ASN 79 HB2 ASN 79 176.635 10.895 7.389 634 2HB ASN 79 HB1 ASN 79 175.776 9.377 7.171 635 1HD2 ASN 79 HD21 ASN 79 175.840 7.832 8.786 636 2HD2 ASN 79 HD22 ASN 79 176.399 8.182 10.382 637 H LYS 80 HN LYS 80 177.704 6.956 7.605 638 HA LYS 80 HA LYS 80 179.661 7.059 9.601 639 1HB LYS 80 HB2 LYS 80 177.808 5.171 8.644 640 2HB LYS 80 HB1 LYS 80 179.379 4.384 8.565 641 1HG LYS 80 HG2 LYS 80 179.489 5.516 11.027 642 2HG LYS 80 HG1 LYS 80 177.766 5.161 10.887 643 1HD LYS 80 HD2 LYS 80 179.754 3.064 10.137 644 2HD LYS 80 HD1 LYS 80 179.425 3.371 11.844 645 1HE LYS 80 HE2 LYS 80 177.406 2.636 9.729 646 2HE LYS 80 HE1 LYS 80 178.002 1.589 11.015 647 1HZ LYS 80 HZ1 LYS 80 176.154 2.317 12.044 648 2HZ LYS 80 HZ2 LYS 80 176.048 3.733 11.127 649 3HZ LYS 80 HZ3 LYS 80 177.117 3.652 12.435 650 H LEU 81 HN LEU 81 179.826 6.159 6.212 651 HA LEU 81 HA LEU 81 182.415 5.052 6.216 652 1HB LEU 81 HB2 LEU 81 180.486 6.003 4.224 653 2HB LEU 81 HB1 LEU 81 182.154 6.195 3.725 654 HG LEU 81 HG LEU 81 181.351 3.548 4.814 655 1HD1 LEU 81 HD11 LEU 81 180.384 2.808 2.775 656 2HD1 LEU 81 HD12 LEU 81 180.731 4.342 1.976 657 3HD1 LEU 81 HD13 LEU 81 179.519 4.267 3.255 658 1HD2 LEU 81 HD21 LEU 81 182.958 4.059 2.355 659 2HD2 LEU 81 HD22 LEU 81 183.098 2.764 3.543 660 3HD2 LEU 81 HD23 LEU 81 183.666 4.386 3.935 661 H GLU 82 HN GLU 82 181.233 8.344 5.990 662 HA GLU 82 HA GLU 82 183.627 9.579 5.181 663 1HB GLU 82 HB2 GLU 82 181.092 10.475 6.436 664 2HB GLU 82 HB1 GLU 82 182.476 11.552 6.577 665 1HG GLU 82 HG2 GLU 82 182.672 11.135 4.001 666 2HG GLU 82 HG1 GLU 82 180.970 10.701 4.155 667 H ARG 83 HN ARG 83 182.179 9.520 8.450 668 HA ARG 83 HA ARG 83 184.361 10.618 9.755 669 1HB ARG 83 HB2 ARG 83 183.223 10.257 11.686 670 2HB ARG 83 HB1 ARG 83 181.912 9.951 10.563 671 1HG ARG 83 HG2 ARG 83 183.386 7.524 11.118 672 2HG ARG 83 HG1 ARG 83 182.819 8.289 12.599 673 1HD ARG 83 HD2 ARG 83 180.736 8.381 10.654 674 2HD ARG 83 HD1 ARG 83 181.354 6.734 10.752 675 HE ARG 83 HE ARG 83 179.843 8.133 12.742 676 1HH1 ARG 83 HH11 ARG 83 182.196 5.608 12.224 677 2HH1 ARG 83 HH12 ARG 83 181.778 4.751 13.671 678 1HH2 ARG 83 HH21 ARG 83 179.296 7.011 14.645 679 2HH2 ARG 83 HH22 ARG 83 180.132 5.547 15.044 680 H GLN 84 HN GLN 84 183.750 7.271 8.886 681 HA GLN 84 HA GLN 84 185.932 6.186 10.355 682 1HB GLN 84 HB2 GLN 84 184.207 5.159 8.116 683 2HB GLN 84 HB1 GLN 84 185.578 4.230 8.708 684 1HG GLN 84 HG2 GLN 84 184.615 4.084 10.894 685 2HG GLN 84 HG1 GLN 84 183.317 5.190 10.445 686 1HE2 GLN 84 HE21 GLN 84 182.402 4.304 8.126 687 2HE2 GLN 84 HE22 GLN 84 181.822 2.682 8.245 688 H LEU 85 HN LEU 85 185.558 7.535 7.150 689 HA LEU 85 HA LEU 85 187.965 6.560 6.042 690 1HB LEU 85 HB2 LEU 85 185.819 8.180 5.209 691 2HB LEU 85 HB1 LEU 85 187.266 9.144 4.984 692 HG LEU 85 HG LEU 85 187.555 6.411 3.987 693 1HD1 LEU 85 HD11 LEU 85 185.780 8.108 2.308 694 2HD1 LEU 85 HD12 LEU 85 185.061 7.150 3.602 695 3HD1 LEU 85 HD13 LEU 85 185.985 6.356 2.326 696 1HD2 LEU 85 HD21 LEU 85 188.863 8.714 3.633 697 2HD2 LEU 85 HD22 LEU 85 187.772 8.793 2.249 698 3HD2 LEU 85 HD23 LEU 85 188.861 7.418 2.437 699 H ASN 86 HN ASN 86 187.306 9.956 6.924 700 HA ASN 86 HA ASN 86 189.883 10.852 6.931 701 1HB ASN 86 HB2 ASN 86 189.174 12.732 8.178 702 2HB ASN 86 HB1 ASN 86 187.775 12.218 7.240 703 1HD2 ASN 86 HD21 ASN 86 186.453 10.500 8.450 704 2HD2 ASN 86 HD22 ASN 86 186.089 10.886 10.081 705 H LYS 87 HN LYS 87 188.187 9.302 9.639 706 HA LYS 87 HA LYS 87 190.183 9.629 11.571 707 1HB LYS 87 HB2 LYS 87 187.739 8.583 11.664 708 2HB LYS 87 HB1 LYS 87 188.641 7.080 11.526 709 1HG LYS 87 HG2 LYS 87 189.207 9.166 13.615 710 2HG LYS 87 HG1 LYS 87 188.109 7.805 13.859 711 1HD LYS 87 HD2 LYS 87 190.958 7.422 12.979 712 2HD LYS 87 HD1 LYS 87 190.509 7.531 14.682 713 1HE LYS 87 HE2 LYS 87 189.137 5.606 12.839 714 2HE LYS 87 HE1 LYS 87 190.681 5.201 13.590 715 1HZ LYS 87 HZ1 LYS 87 189.139 4.368 15.071 716 2HZ LYS 87 HZ2 LYS 87 188.067 5.660 14.870 717 3HZ LYS 87 HZ3 LYS 87 189.494 5.875 15.752 718 H LEU 88 HN LEU 88 189.532 6.619 9.762 719 HA LEU 88 HA LEU 88 191.917 5.342 10.426 720 1HB LEU 88 HB2 LEU 88 189.684 4.825 8.769 721 2HB LEU 88 HB1 LEU 88 191.109 4.593 7.775 722 HG LEU 88 HG LEU 88 190.344 3.130 10.291 723 1HD1 LEU 88 HD11 LEU 88 190.937 2.287 7.460 724 2HD1 LEU 88 HD12 LEU 88 189.380 2.235 8.289 725 3HD1 LEU 88 HD13 LEU 88 190.689 1.170 8.803 726 1HD2 LEU 88 HD21 LEU 88 192.598 3.416 10.719 727 2HD2 LEU 88 HD22 LEU 88 193.028 3.429 9.009 728 3HD2 LEU 88 HD23 LEU 88 192.586 1.913 9.795 729 H GLN 89 HN GLN 89 191.310 7.891 8.193 730 HA GLN 89 HA GLN 89 193.446 7.514 6.405 731 1HB GLN 89 HB2 GLN 89 191.486 9.544 6.965 732 2HB GLN 89 HB1 GLN 89 193.058 10.295 6.732 733 1HG GLN 89 HG2 GLN 89 191.595 8.500 4.818 734 2HG GLN 89 HG1 GLN 89 191.926 10.222 4.635 735 1HE2 GLN 89 HE21 GLN 89 192.740 7.456 3.357 736 2HE2 GLN 89 HE22 GLN 89 194.413 7.703 3.010 737 H HIS 90 HN HIS 90 193.214 9.345 9.435 738 HA HIS 90 HA HIS 90 195.906 10.267 9.374 739 1HB HIS 90 HB2 HIS 90 193.836 10.086 11.560 740 2HB HIS 90 HB1 HIS 90 195.458 10.700 11.857 741 HD1 HIS 90 HD1 HIS 90 194.001 11.587 8.585 742 HD2 HIS 90 HD2 HIS 90 194.209 13.221 12.400 743 HE1 HIS 90 HE1 HIS 90 193.327 13.995 8.323 744 HE2 HIS 90 HE2 HIS 90 193.541 14.984 10.631 745 H LYS 91 HN LYS 91 196.633 7.967 8.755 746 HA LYS 91 HA LYS 91 198.055 6.889 10.967 747 1HB LYS 91 HB2 LYS 91 195.577 5.926 10.991 748 2HB LYS 91 HB1 LYS 91 196.246 4.836 9.785 749 1HG LYS 91 HG2 LYS 91 197.731 5.217 12.332 750 2HG LYS 91 HG1 LYS 91 196.268 4.230 12.339 751 1HD LYS 91 HD2 LYS 91 197.607 3.315 10.121 752 2HD LYS 91 HD1 LYS 91 198.917 3.652 11.254 753 1HE LYS 91 HE2 LYS 91 198.365 1.456 11.751 754 2HE LYS 91 HE1 LYS 91 197.456 2.367 12.955 755 1HZ LYS 91 HZ1 LYS 91 195.880 0.922 12.165 756 2HZ LYS 91 HZ2 LYS 91 196.478 0.936 10.583 757 3HZ LYS 91 HZ3 LYS 91 195.599 2.258 11.166 758 H GLY 92 HN GLY 92 199.199 7.849 8.842 759 1HA GLY 92 HA2 GLY 92 199.479 6.148 6.604 760 2HA GLY 92 HA1 GLY 92 200.603 7.415 7.076 761 H GLU 93 HN GLU 93 200.012 4.058 6.949 762 HA GLU 93 HA GLU 93 202.471 3.539 8.485 763 1HB GLU 93 HB2 GLU 93 201.604 1.249 8.829 764 2HB GLU 93 HB1 GLU 93 200.561 2.481 9.524 765 1HG GLU 93 HG2 GLU 93 198.955 1.272 8.530 766 2HG GLU 93 HG1 GLU 93 199.405 2.230 7.123 767 H ALA 94 HN ALA 94 200.627 2.534 5.618 768 HA ALA 94 HA ALA 94 202.882 2.397 3.957 769 1HB ALA 94 HB1 ALA 94 201.967 -0.388 4.451 770 2HB ALA 94 HB2 ALA 94 203.090 0.342 5.600 771 3HB ALA 94 HB3 ALA 94 203.532 0.209 3.897 772 H ARG 95 HN ARG 95 202.201 0.490 2.125 773 HA ARG 95 HA ARG 95 199.402 1.052 1.430 774 1HB ARG 95 HB2 ARG 95 200.645 2.627 0.139 775 2HB ARG 95 HB1 ARG 95 201.840 1.420 -0.310 776 1HG ARG 95 HG2 ARG 95 199.488 0.361 -1.284 777 2HG ARG 95 HG1 ARG 95 199.296 2.094 -1.551 778 1HD ARG 95 HD2 ARG 95 200.397 0.713 -3.404 779 2HD ARG 95 HD1 ARG 95 201.182 2.214 -2.920 780 HE ARG 95 HE ARG 95 202.967 1.000 -2.146 781 1HH1 ARG 95 HH11 ARG 95 200.290 -1.160 -2.733 782 2HH1 ARG 95 HH12 ARG 95 201.233 -2.594 -2.505 783 1HH2 ARG 95 HH21 ARG 95 204.210 -0.883 -1.844 784 2HH2 ARG 95 HH22 ARG 95 203.459 -2.436 -1.999 785 H ARG 96 HN ARG 96 198.299 -0.715 0.890 786 HA ARG 96 HA ARG 96 199.735 -3.226 0.554 787 1HB ARG 96 HB2 ARG 96 196.970 -2.437 1.290 788 2HB ARG 96 HB1 ARG 96 197.156 -3.969 0.447 789 1HG ARG 96 HG2 ARG 96 198.348 -4.928 2.167 790 2HG ARG 96 HG1 ARG 96 198.877 -3.371 2.807 791 1HD ARG 96 HD2 ARG 96 196.143 -4.619 3.005 792 2HD ARG 96 HD1 ARG 96 197.263 -4.259 4.320 793 HE ARG 96 HE ARG 96 195.398 -2.471 3.127 794 1HH1 ARG 96 HH11 ARG 96 198.550 -2.618 4.619 795 2HH1 ARG 96 HH12 ARG 96 198.511 -0.970 5.151 796 1HH2 ARG 96 HH21 ARG 96 195.348 -0.303 3.825 797 2HH2 ARG 96 HH22 ARG 96 196.694 0.344 4.700 798 H ALA 97 HN ALA 97 198.313 -4.775 -1.012 799 HA ALA 97 HA ALA 97 198.135 -3.355 -3.591 800 1HB ALA 97 HB1 ALA 97 200.095 -5.038 -3.106 801 2HB ALA 97 HB2 ALA 97 199.299 -5.002 -4.679 802 3HB ALA 97 HB3 ALA 97 198.868 -6.240 -3.501 803 H ALA 98 HN ALA 98 195.962 -3.798 -1.784 804 HA ALA 98 HA ALA 98 193.781 -4.443 -1.829 805 1HB ALA 98 HB1 ALA 98 194.421 -5.205 -4.677 806 2HB ALA 98 HB2 ALA 98 193.794 -3.654 -4.121 807 3HB ALA 98 HB3 ALA 98 192.802 -5.106 -3.987 808 H THR 99 HN THR 99 192.726 -6.184 -1.055 809 HA THR 99 HA THR 99 194.150 -8.729 -1.081 810 HB THR 99 HB THR 99 193.372 -7.820 1.073 811 HG1 THR 99 HG1 THR 99 192.107 -10.205 0.215 812 1HG2 THR 99 HG21 THR 99 191.017 -7.833 1.659 813 2HG2 THR 99 HG22 THR 99 190.594 -8.251 -0.002 814 3HG2 THR 99 HG23 THR 99 191.337 -6.690 0.354 815 H SER 100 HN SER 100 191.147 -7.291 -2.171 816 HA SER 100 HA SER 100 190.193 -9.864 -3.177 817 1HB SER 100 HB2 SER 100 188.283 -8.106 -3.950 818 2HB SER 100 HB1 SER 100 188.311 -8.874 -2.364 819 HG SER 100 HG SER 100 189.038 -7.047 -1.467 820 H VAL 101 HN VAL 101 192.518 -8.905 -4.407 821 HA VAL 101 HA VAL 101 192.160 -7.415 -6.736 822 HB VAL 101 HB VAL 101 194.083 -9.691 -6.205 823 1HG1 VAL 101 HG11 VAL 101 193.999 -9.439 -8.563 824 2HG1 VAL 101 HG12 VAL 101 195.449 -8.599 -8.014 825 3HG1 VAL 101 HG13 VAL 101 194.008 -7.678 -8.442 826 1HG2 VAL 101 HG21 VAL 101 195.672 -7.999 -5.615 827 2HG2 VAL 101 HG22 VAL 101 194.203 -7.727 -4.679 828 3HG2 VAL 101 HG23 VAL 101 194.554 -6.719 -6.082 829 H LYS 102 HN LYS 102 192.182 -8.249 -9.001 830 HA LYS 102 HA LYS 102 189.952 -9.760 -9.596 831 1HB LYS 102 HB2 LYS 102 190.999 -10.048 -11.876 832 2HB LYS 102 HB1 LYS 102 190.889 -8.390 -11.299 833 1HG LYS 102 HG2 LYS 102 193.366 -9.196 -10.412 834 2HG LYS 102 HG1 LYS 102 193.222 -9.981 -11.986 835 1HD LYS 102 HD2 LYS 102 192.295 -7.231 -12.056 836 2HD LYS 102 HD1 LYS 102 193.965 -7.349 -11.502 837 1HE LYS 102 HE2 LYS 102 193.890 -7.100 -13.916 838 2HE LYS 102 HE1 LYS 102 194.520 -8.687 -13.480 839 1HZ LYS 102 HZ1 LYS 102 193.023 -9.191 -15.128 840 2HZ LYS 102 HZ2 LYS 102 191.926 -7.985 -14.676 841 3HZ LYS 102 HZ3 LYS 102 192.060 -9.396 -13.752 842 H ASP 103 HN ASP 103 189.882 -11.622 -8.344 843 HA ASP 103 HA ASP 103 191.936 -13.579 -8.325 844 1HB ASP 103 HB2 ASP 103 190.323 -14.985 -7.165 845 2HB ASP 103 HB1 ASP 103 190.251 -13.344 -6.524 846 H ALA 104 HN ALA 104 189.271 -12.918 -10.444 847 HA ALA 104 HA ALA 104 189.182 -15.514 -11.653 848 1HB ALA 104 HB1 ALA 104 188.012 -13.915 -13.490 849 2HB ALA 104 HB2 ALA 104 187.843 -12.923 -12.044 850 3HB ALA 104 HB3 ALA 104 187.185 -14.558 -12.071 851 H ASN 105 HN ASN 105 191.627 -15.502 -11.875 852 HA ASN 105 HA ASN 105 192.743 -13.920 -14.001 853 1HB ASN 105 HB2 ASN 105 194.093 -14.659 -12.062 854 2HB ASN 105 HB1 ASN 105 193.901 -16.330 -12.582 855 1HD2 ASN 105 HD21 ASN 105 195.912 -13.743 -12.634 856 2HD2 ASN 105 HD22 ASN 105 196.874 -14.147 -14.011 857 H PHE 106 HN PHE 106 192.330 -17.440 -13.581 858 HA PHE 106 HA PHE 106 192.568 -17.836 -16.443 859 1HB PHE 106 HB2 PHE 106 191.960 -19.935 -14.362 860 2HB PHE 106 HB1 PHE 106 192.642 -20.173 -15.968 861 HD1 PHE 106 HD1 PHE 106 194.963 -20.005 -16.349 862 HD2 PHE 106 HD2 PHE 106 193.331 -18.844 -12.594 863 HE1 PHE 106 HE1 PHE 106 197.232 -19.878 -15.406 864 HE2 PHE 106 HE2 PHE 106 195.597 -18.712 -11.645 865 HZ PHE 106 HZ PHE 106 197.551 -19.231 -13.051 866 H VAL 107 HN VAL 107 190.760 -17.068 -17.439 867 HA VAL 107 HA VAL 107 188.127 -17.641 -16.418 868 HB VAL 107 HB VAL 107 188.728 -16.509 -19.139 869 1HG1 VAL 107 HG11 VAL 107 186.419 -17.101 -18.741 870 2HG1 VAL 107 HG12 VAL 107 186.584 -15.346 -18.772 871 3HG1 VAL 107 HG13 VAL 107 186.414 -16.190 -17.232 872 1HG2 VAL 107 HG21 VAL 107 189.178 -15.304 -16.492 873 2HG2 VAL 107 HG22 VAL 107 188.279 -14.306 -17.636 874 3HG2 VAL 107 HG23 VAL 107 189.884 -14.905 -18.058 875 H GLU 108 HN GLU 108 190.325 -19.373 -18.245 876 HA GLU 108 HA GLU 108 190.213 -21.321 -19.372 877 1HB GLU 108 HB2 GLU 108 188.177 -21.500 -17.547 878 2HB GLU 108 HB1 GLU 108 187.328 -21.769 -19.060 879 1HG GLU 108 HG2 GLU 108 188.077 -23.852 -18.007 880 2HG GLU 108 HG1 GLU 108 188.783 -23.607 -19.603 881 H GLU 109 HN GLU 109 188.983 -22.410 -21.186 882 HA GLU 109 HA GLU 109 188.485 -20.401 -23.214 883 1HB GLU 109 HB2 GLU 109 188.400 -23.385 -23.615 884 2HB GLU 109 HB1 GLU 109 188.727 -22.138 -24.809 885 1HG GLU 109 HG2 GLU 109 190.858 -21.658 -23.787 886 2HG GLU 109 HG1 GLU 109 190.524 -22.803 -22.489 887 H VAL 110 HN VAL 110 186.456 -20.258 -21.423 888 HA VAL 110 HA VAL 110 184.199 -20.410 -21.111 889 HB VAL 110 HB VAL 110 184.109 -20.586 -24.121 890 1HG1 VAL 110 HG11 VAL 110 182.177 -18.965 -22.599 891 2HG1 VAL 110 HG12 VAL 110 182.052 -20.712 -22.384 892 3HG1 VAL 110 HG13 VAL 110 181.931 -20.011 -23.998 893 1HG2 VAL 110 HG21 VAL 110 184.795 -18.322 -22.305 894 2HG2 VAL 110 HG22 VAL 110 183.889 -17.995 -23.782 895 3HG2 VAL 110 HG23 VAL 110 185.478 -18.755 -23.872 896 H GLU 111 HN GLU 111 183.853 -22.360 -20.107 897 HA GLU 111 HA GLU 111 183.646 -24.794 -21.667 898 1HB GLU 111 HB2 GLU 111 182.943 -24.512 -18.754 899 2HB GLU 111 HB1 GLU 111 183.486 -25.946 -19.613 900 1HG GLU 111 HG2 GLU 111 185.577 -25.519 -19.055 901 2HG GLU 111 HG1 GLU 111 185.492 -23.950 -19.856 902 H GLU 112 HN GLU 112 181.829 -23.335 -22.789 903 HA GLU 112 HA GLU 112 179.256 -23.842 -21.470 904 1HB GLU 112 HB2 GLU 112 178.302 -22.252 -23.039 905 2HB GLU 112 HB1 GLU 112 179.692 -21.537 -22.232 906 1HG GLU 112 HG2 GLU 112 181.050 -21.791 -24.157 907 2HG GLU 112 HG1 GLU 112 179.846 -22.805 -24.950 908 H GLU 113 HN GLU 113 181.151 -24.621 -24.303 909 HA GLU 113 HA GLU 113 179.063 -25.885 -25.763 910 1HB GLU 113 HB2 GLU 113 181.558 -25.079 -26.403 911 2HB GLU 113 HB1 GLU 113 181.849 -26.799 -26.182 912 1HG GLU 113 HG2 GLU 113 181.364 -26.208 -28.512 913 2HG GLU 113 HG1 GLU 113 180.192 -27.341 -27.842 Start of MODEL 18 1 1H MET 1 HT1 MET 1 186.993 -0.536 -5.980 2 2H MET 1 HT2 MET 1 187.090 -1.930 -6.975 3 3H MET 1 HT3 MET 1 185.750 -1.715 -5.924 4 HA MET 1 HA MET 1 185.205 0.315 -7.163 5 1HB MET 1 HB2 MET 1 187.305 -0.835 -9.012 6 2HB MET 1 HB1 MET 1 186.223 0.491 -9.419 7 1HG MET 1 HG2 MET 1 187.223 1.608 -7.300 8 2HG MET 1 HG1 MET 1 188.524 0.440 -7.523 9 1HE MET 1 HE1 MET 1 190.205 0.982 -10.506 10 2HE MET 1 HE2 MET 1 190.137 0.402 -8.841 11 3HE MET 1 HE3 MET 1 190.861 1.970 -9.200 12 H THR 2 HN THR 2 185.497 -3.053 -7.421 13 HA THR 2 HA THR 2 183.922 -3.546 -9.709 14 HB THR 2 HB THR 2 185.245 -5.329 -8.864 15 HG1 THR 2 HG1 THR 2 183.146 -5.938 -9.638 16 1HG2 THR 2 HG21 THR 2 185.615 -5.762 -6.734 17 2HG2 THR 2 HG22 THR 2 183.895 -6.025 -6.435 18 3HG2 THR 2 HG23 THR 2 184.572 -4.401 -6.323 19 H MET 3 HN MET 3 182.237 -5.300 -7.469 20 HA MET 3 HA MET 3 180.428 -3.460 -6.375 21 1HB MET 3 HB2 MET 3 180.093 -3.536 -9.076 22 2HB MET 3 HB1 MET 3 178.965 -4.785 -8.569 23 1HG MET 3 HG2 MET 3 177.830 -2.672 -8.747 24 2HG MET 3 HG1 MET 3 177.886 -3.182 -7.062 25 1HE MET 3 HE1 MET 3 178.123 0.838 -7.533 26 2HE MET 3 HE2 MET 3 177.296 -0.299 -6.467 27 3HE MET 3 HE3 MET 3 177.136 -0.454 -8.216 28 H ASN 4 HN ASN 4 180.745 -4.953 -4.679 29 HA ASN 4 HA ASN 4 179.582 -7.619 -5.041 30 1HB ASN 4 HB2 ASN 4 181.065 -6.554 -2.633 31 2HB ASN 4 HB1 ASN 4 180.676 -8.234 -2.988 32 1HD2 ASN 4 HD21 ASN 4 183.197 -6.429 -2.711 33 2HD2 ASN 4 HD22 ASN 4 184.191 -6.972 -4.017 34 H ILE 5 HN ILE 5 177.463 -7.720 -4.677 35 HA ILE 5 HA ILE 5 176.376 -6.236 -2.374 36 HB ILE 5 HB ILE 5 174.790 -6.924 -4.841 37 1HG1 ILE 5 HG12 ILE 5 176.144 -4.299 -4.172 38 2HG1 ILE 5 HG11 ILE 5 176.637 -5.406 -5.451 39 1HG2 ILE 5 HG21 ILE 5 174.108 -4.672 -3.049 40 2HG2 ILE 5 HG22 ILE 5 173.874 -6.302 -2.414 41 3HG2 ILE 5 HG23 ILE 5 173.059 -5.808 -3.897 42 1HD1 ILE 5 HD11 ILE 5 174.137 -3.756 -5.287 43 2HD1 ILE 5 HD12 ILE 5 174.339 -5.076 -6.441 44 3HD1 ILE 5 HD13 ILE 5 175.422 -3.684 -6.492 45 H THR 6 HN THR 6 175.705 -7.539 -0.816 46 HA THR 6 HA THR 6 174.457 -10.100 -1.545 47 HB THR 6 HB THR 6 176.411 -9.682 0.727 48 HG1 THR 6 HG1 THR 6 177.871 -10.311 -0.618 49 1HG2 THR 6 HG21 THR 6 174.456 -11.713 0.316 50 2HG2 THR 6 HG22 THR 6 175.632 -11.543 1.619 51 3HG2 THR 6 HG23 THR 6 176.068 -12.407 0.145 52 H SER 7 HN SER 7 172.496 -8.817 -1.251 53 HA SER 7 HA SER 7 171.857 -7.803 1.359 54 1HB SER 7 HB2 SER 7 170.313 -8.139 -1.202 55 2HB SER 7 HB1 SER 7 169.504 -7.667 0.291 56 HG SER 7 HG SER 7 170.135 -5.829 -0.846 57 H LYS 8 HN LYS 8 170.622 -8.713 2.935 58 HA LYS 8 HA LYS 8 170.135 -11.584 2.687 59 1HB LYS 8 HB2 LYS 8 171.105 -9.971 4.756 60 2HB LYS 8 HB1 LYS 8 169.494 -10.451 5.278 61 1HG LYS 8 HG2 LYS 8 170.672 -12.776 4.271 62 2HG LYS 8 HG1 LYS 8 171.929 -11.975 5.216 63 1HD LYS 8 HD2 LYS 8 170.813 -12.244 7.178 64 2HD LYS 8 HD1 LYS 8 169.226 -12.108 6.418 65 1HE LYS 8 HE2 LYS 8 169.849 -14.400 5.350 66 2HE LYS 8 HE1 LYS 8 171.012 -14.491 6.671 67 1HZ LYS 8 HZ1 LYS 8 168.678 -15.470 7.005 68 2HZ LYS 8 HZ2 LYS 8 168.185 -13.867 7.219 69 3HZ LYS 8 HZ3 LYS 8 169.346 -14.538 8.249 70 H GLN 9 HN GLN 9 168.169 -12.475 2.614 71 HA GLN 9 HA GLN 9 165.949 -12.492 2.005 72 1HB GLN 9 HB2 GLN 9 164.615 -11.504 4.140 73 2HB GLN 9 HB1 GLN 9 165.339 -13.101 4.085 74 1HG GLN 9 HG2 GLN 9 166.279 -12.493 6.009 75 2HG GLN 9 HG1 GLN 9 167.425 -11.627 4.995 76 1HE2 GLN 9 HE21 GLN 9 167.610 -9.499 5.259 77 2HE2 GLN 9 HE22 GLN 9 166.544 -8.511 6.192 78 H MET 10 HN MET 10 167.179 -10.207 0.917 79 HA MET 10 HA MET 10 164.842 -8.600 0.452 80 1HB MET 10 HB2 MET 10 165.608 -7.446 2.412 81 2HB MET 10 HB1 MET 10 167.259 -7.409 1.814 82 1HG MET 10 HG2 MET 10 166.031 -5.244 1.666 83 2HG MET 10 HG1 MET 10 166.717 -5.815 0.148 84 1HE MET 10 HE1 MET 10 163.221 -6.018 2.219 85 2HE MET 10 HE2 MET 10 162.394 -4.924 1.109 86 3HE MET 10 HE3 MET 10 163.866 -4.403 1.926 87 H GLU 11 HN GLU 11 164.826 -7.897 -1.594 88 HA GLU 11 HA GLU 11 167.204 -8.361 -3.216 89 1HB GLU 11 HB2 GLU 11 165.720 -8.157 -5.130 90 2HB GLU 11 HB1 GLU 11 165.043 -9.284 -3.962 91 1HG GLU 11 HG2 GLU 11 163.787 -7.132 -3.118 92 2HG GLU 11 HG1 GLU 11 164.105 -6.582 -4.763 93 H ILE 12 HN ILE 12 167.170 -6.682 -5.217 94 HA ILE 12 HA ILE 12 167.533 -4.052 -3.955 95 HB ILE 12 HB ILE 12 168.554 -4.609 -6.699 96 1HG1 ILE 12 HG12 ILE 12 169.288 -6.607 -5.582 97 2HG1 ILE 12 HG11 ILE 12 170.666 -5.518 -5.687 98 1HG2 ILE 12 HG21 ILE 12 170.507 -3.301 -5.453 99 2HG2 ILE 12 HG22 ILE 12 169.161 -2.816 -4.425 100 3HG2 ILE 12 HG23 ILE 12 169.112 -2.483 -6.156 101 1HD1 ILE 12 HD11 ILE 12 170.958 -5.846 -3.520 102 2HD1 ILE 12 HD12 ILE 12 169.408 -6.674 -3.374 103 3HD1 ILE 12 HD13 ILE 12 169.484 -4.917 -3.251 104 H THR 13 HN THR 13 166.069 -2.538 -4.340 105 HA THR 13 HA THR 13 164.268 -2.833 -6.629 106 HB THR 13 HB THR 13 162.747 -1.437 -5.492 107 HG1 THR 13 HG1 THR 13 163.669 0.278 -4.700 108 1HG2 THR 13 HG21 THR 13 163.640 -3.662 -4.195 109 2HG2 THR 13 HG22 THR 13 162.229 -2.705 -3.739 110 3HG2 THR 13 HG23 THR 13 163.781 -2.419 -2.952 111 HA PRO 14 HA PRO 14 165.893 0.357 -9.182 112 1HB PRO 14 HB2 PRO 14 163.646 2.044 -9.366 113 2HB PRO 14 HB1 PRO 14 164.052 0.712 -10.451 114 1HG PRO 14 HG2 PRO 14 162.167 0.772 -8.149 115 2HG PRO 14 HG1 PRO 14 162.051 -0.120 -9.676 116 1HD PRO 14 HD2 PRO 14 162.708 -1.356 -7.400 117 2HD PRO 14 HD1 PRO 14 163.471 -1.808 -8.939 118 H ALA 15 HN ALA 15 163.867 1.575 -6.525 119 HA ALA 15 HA ALA 15 165.047 4.136 -6.395 120 1HB ALA 15 HB1 ALA 15 163.687 4.519 -4.598 121 2HB ALA 15 HB2 ALA 15 163.902 2.894 -3.947 122 3HB ALA 15 HB3 ALA 15 162.843 3.155 -5.334 123 H ILE 16 HN ILE 16 165.860 1.061 -4.899 124 HA ILE 16 HA ILE 16 167.810 2.191 -3.115 125 HB ILE 16 HB ILE 16 167.399 -0.692 -3.923 126 1HG1 ILE 16 HG12 ILE 16 166.479 0.727 -1.419 127 2HG1 ILE 16 HG11 ILE 16 165.443 0.448 -2.815 128 1HG2 ILE 16 HG21 ILE 16 169.050 0.597 -1.767 129 2HG2 ILE 16 HG22 ILE 16 169.578 -0.509 -3.036 130 3HG2 ILE 16 HG23 ILE 16 168.570 -1.098 -1.714 131 1HD1 ILE 16 HD11 ILE 16 166.355 -1.402 -0.726 132 2HD1 ILE 16 HD12 ILE 16 166.329 -2.052 -2.366 133 3HD1 ILE 16 HD13 ILE 16 164.859 -1.382 -1.658 134 H ARG 17 HN ARG 17 168.024 0.115 -6.013 135 HA ARG 17 HA ARG 17 170.748 -0.048 -6.270 136 1HB ARG 17 HB2 ARG 17 170.419 -0.529 -8.589 137 2HB ARG 17 HB1 ARG 17 169.045 -1.185 -7.713 138 1HG ARG 17 HG2 ARG 17 167.649 0.626 -8.418 139 2HG ARG 17 HG1 ARG 17 169.023 1.461 -9.144 140 1HD ARG 17 HD2 ARG 17 167.514 0.213 -10.741 141 2HD ARG 17 HD1 ARG 17 169.234 -0.159 -10.846 142 HE ARG 17 HE ARG 17 167.693 -1.917 -9.142 143 1HH1 ARG 17 HH11 ARG 17 168.960 -1.351 -12.348 144 2HH1 ARG 17 HH12 ARG 17 168.890 -3.021 -12.802 145 1HH2 ARG 17 HH21 ARG 17 167.600 -4.109 -9.743 146 2HH2 ARG 17 HH22 ARG 17 168.117 -4.585 -11.326 147 H GLN 18 HN GLN 18 168.652 2.629 -7.188 148 HA GLN 18 HA GLN 18 170.726 4.117 -8.488 149 1HB GLN 18 HB2 GLN 18 168.139 4.281 -8.771 150 2HB GLN 18 HB1 GLN 18 168.227 5.360 -7.387 151 1HG GLN 18 HG2 GLN 18 168.233 6.546 -9.540 152 2HG GLN 18 HG1 GLN 18 169.678 6.857 -8.579 153 1HE2 GLN 18 HE21 GLN 18 168.761 4.178 -10.711 154 2HE2 GLN 18 HE22 GLN 18 170.133 4.308 -11.752 155 H HIS 19 HN HIS 19 169.016 4.493 -5.383 156 HA HIS 19 HA HIS 19 170.508 6.662 -4.439 157 1HB HIS 19 HB2 HIS 19 168.357 5.250 -3.524 158 2HB HIS 19 HB1 HIS 19 169.606 4.751 -2.388 159 HD1 HIS 19 HD1 HIS 19 167.964 7.909 -3.687 160 HD2 HIS 19 HD2 HIS 19 170.139 6.560 -0.414 161 HE1 HIS 19 HE1 HIS 19 167.928 9.800 -2.030 162 HE2 HIS 19 HE2 HIS 19 169.179 8.929 -0.025 163 H VAL 20 HN VAL 20 170.892 3.194 -3.689 164 HA VAL 20 HA VAL 20 173.160 3.424 -2.087 165 HB VAL 20 HB VAL 20 172.451 1.121 -3.912 166 1HG1 VAL 20 HG11 VAL 20 173.661 -0.036 -1.833 167 2HG1 VAL 20 HG12 VAL 20 174.508 1.510 -1.820 168 3HG1 VAL 20 HG13 VAL 20 174.535 0.502 -3.266 169 1HG2 VAL 20 HG21 VAL 20 170.631 1.755 -2.372 170 2HG2 VAL 20 HG22 VAL 20 171.738 1.561 -1.014 171 3HG2 VAL 20 HG23 VAL 20 171.304 0.168 -2.004 172 H ALA 21 HN ALA 21 172.910 2.934 -5.596 173 HA ALA 21 HA ALA 21 175.696 2.770 -6.063 174 1HB ALA 21 HB1 ALA 21 173.951 1.962 -7.632 175 2HB ALA 21 HB2 ALA 21 175.160 2.997 -8.395 176 3HB ALA 21 HB3 ALA 21 173.563 3.641 -8.008 177 H ASP 22 HN ASP 22 173.455 5.445 -5.813 178 HA ASP 22 HA ASP 22 174.982 7.459 -7.007 179 1HB ASP 22 HB2 ASP 22 172.543 7.323 -5.702 180 2HB ASP 22 HB1 ASP 22 173.500 8.368 -4.659 181 H ARG 23 HN ARG 23 174.617 6.917 -3.500 182 HA ARG 23 HA ARG 23 176.736 8.572 -2.734 183 1HB ARG 23 HB2 ARG 23 174.908 6.753 -1.462 184 2HB ARG 23 HB1 ARG 23 176.520 6.518 -0.805 185 1HG ARG 23 HG2 ARG 23 175.544 8.119 0.577 186 2HG ARG 23 HG1 ARG 23 176.589 9.045 -0.502 187 1HD ARG 23 HD2 ARG 23 174.820 9.953 -1.656 188 2HD ARG 23 HD1 ARG 23 173.743 8.609 -1.274 189 HE ARG 23 HE ARG 23 173.060 9.764 0.565 190 1HH1 ARG 23 HH11 ARG 23 176.174 11.006 -0.403 191 2HH1 ARG 23 HH12 ARG 23 176.176 12.271 0.780 192 1HH2 ARG 23 HH21 ARG 23 173.061 11.426 2.121 193 2HH2 ARG 23 HH22 ARG 23 174.410 12.510 2.214 194 H LEU 24 HN LEU 24 176.651 5.049 -3.203 195 HA LEU 24 HA LEU 24 179.289 4.495 -2.492 196 1HB LEU 24 HB2 LEU 24 177.645 2.744 -2.795 197 2HB LEU 24 HB1 LEU 24 177.502 3.127 -4.501 198 HG LEU 24 HG LEU 24 179.745 2.329 -4.926 199 1HD1 LEU 24 HD11 LEU 24 179.942 1.640 -2.003 200 2HD1 LEU 24 HD12 LEU 24 180.673 3.073 -2.727 201 3HD1 LEU 24 HD13 LEU 24 181.187 1.466 -3.240 202 1HD2 LEU 24 HD21 LEU 24 178.805 0.118 -3.230 203 2HD2 LEU 24 HD22 LEU 24 179.160 0.156 -4.956 204 3HD2 LEU 24 HD23 LEU 24 177.616 0.763 -4.360 205 H ALA 25 HN ALA 25 177.954 5.081 -5.746 206 HA ALA 25 HA ALA 25 180.367 4.927 -7.141 207 1HB ALA 25 HB1 ALA 25 179.234 5.980 -8.963 208 2HB ALA 25 HB2 ALA 25 178.015 6.655 -7.882 209 3HB ALA 25 HB3 ALA 25 178.088 4.913 -8.151 210 H LYS 26 HN LYS 26 178.732 7.744 -5.721 211 HA LYS 26 HA LYS 26 180.628 9.644 -6.612 212 1HB LYS 26 HB2 LYS 26 178.185 9.728 -5.300 213 2HB LYS 26 HB1 LYS 26 179.316 10.347 -4.105 214 1HG LYS 26 HG2 LYS 26 180.158 11.850 -6.036 215 2HG LYS 26 HG1 LYS 26 178.614 11.450 -6.791 216 1HD LYS 26 HD2 LYS 26 177.411 12.649 -5.281 217 2HD LYS 26 HD1 LYS 26 178.533 12.315 -3.960 218 1HE LYS 26 HE2 LYS 26 178.569 14.676 -4.562 219 2HE LYS 26 HE1 LYS 26 180.122 13.913 -4.900 220 1HZ LYS 26 HZ1 LYS 26 179.781 15.077 -6.818 221 2HZ LYS 26 HZ2 LYS 26 178.098 14.913 -6.773 222 3HZ LYS 26 HZ3 LYS 26 179.061 13.608 -7.250 223 H LEU 27 HN LEU 27 180.390 7.669 -3.708 224 HA LEU 27 HA LEU 27 182.487 8.967 -2.296 225 1HB LEU 27 HB2 LEU 27 180.600 7.350 -1.471 226 2HB LEU 27 HB1 LEU 27 181.779 6.101 -1.829 227 HG LEU 27 HG LEU 27 182.502 8.417 -0.064 228 1HD1 LEU 27 HD11 LEU 27 181.472 7.585 1.759 229 2HD1 LEU 27 HD12 LEU 27 181.652 5.911 1.231 230 3HD1 LEU 27 HD13 LEU 27 180.362 6.913 0.564 231 1HD2 LEU 27 HD21 LEU 27 183.640 5.806 -0.819 232 2HD2 LEU 27 HD22 LEU 27 183.781 6.243 0.883 233 3HD2 LEU 27 HD23 LEU 27 184.442 7.308 -0.358 234 H GLU 28 HN GLU 28 182.520 6.850 -4.956 235 HA GLU 28 HA GLU 28 184.934 5.466 -4.400 236 1HB GLU 28 HB2 GLU 28 184.768 4.578 -6.538 237 2HB GLU 28 HB1 GLU 28 183.093 4.939 -6.151 238 1HG GLU 28 HG2 GLU 28 183.046 5.939 -8.138 239 2HG GLU 28 HG1 GLU 28 183.906 7.254 -7.339 240 H LYS 29 HN LYS 29 184.303 8.694 -5.268 241 HA LYS 29 HA LYS 29 186.957 9.073 -6.432 242 1HB LYS 29 HB2 LYS 29 184.398 10.441 -6.621 243 2HB LYS 29 HB1 LYS 29 185.717 11.560 -6.303 244 1HG LYS 29 HG2 LYS 29 186.914 10.735 -8.249 245 2HG LYS 29 HG1 LYS 29 185.631 9.563 -8.556 246 1HD LYS 29 HD2 LYS 29 185.384 11.501 -10.006 247 2HD LYS 29 HD1 LYS 29 184.038 11.403 -8.869 248 1HE LYS 29 HE2 LYS 29 184.614 13.314 -7.824 249 2HE LYS 29 HE1 LYS 29 186.341 12.981 -7.946 250 1HZ LYS 29 HZ1 LYS 29 185.955 14.840 -9.292 251 2HZ LYS 29 HZ2 LYS 29 184.564 14.175 -9.989 252 3HZ LYS 29 HZ3 LYS 29 186.087 13.550 -10.380 253 H TRP 30 HN TRP 30 185.928 8.785 -3.412 254 HA TRP 30 HA TRP 30 186.701 11.120 -2.070 255 1HB TRP 30 HB2 TRP 30 185.900 8.469 -1.377 256 2HB TRP 30 HB1 TRP 30 187.349 8.851 -0.458 257 HD1 TRP 30 HD1 TRP 30 183.850 10.380 -1.132 258 HE1 TRP 30 HE1 TRP 30 183.117 11.646 0.985 259 HE3 TRP 30 HE3 TRP 30 188.080 9.783 1.676 260 HZ2 TRP 30 HZ2 TRP 30 184.191 12.305 3.512 261 HZ3 TRP 30 HZ3 TRP 30 188.146 10.762 3.932 262 HH2 TRP 30 HH2 TRP 30 186.241 11.997 4.830 263 H GLN 31 HN GLN 31 188.646 10.246 -0.208 264 HA GLN 31 HA GLN 31 191.036 10.620 -1.815 265 1HB GLN 31 HB2 GLN 31 190.611 10.564 1.175 266 2HB GLN 31 HB1 GLN 31 192.158 10.872 0.399 267 1HG GLN 31 HG2 GLN 31 191.351 12.896 -0.570 268 2HG GLN 31 HG1 GLN 31 189.702 12.548 -0.051 269 1HE2 GLN 31 HE21 GLN 31 189.882 11.872 2.496 270 2HE2 GLN 31 HE22 GLN 31 190.577 13.137 3.446 271 H THR 32 HN THR 32 189.773 8.092 -2.097 272 HA THR 32 HA THR 32 191.976 6.371 -1.263 273 HB THR 32 HB THR 32 189.607 4.812 -1.044 274 HG1 THR 32 HG1 THR 32 188.603 5.928 0.686 275 1HG2 THR 32 HG21 THR 32 190.286 4.572 1.313 276 2HG2 THR 32 HG22 THR 32 191.519 5.805 1.053 277 3HG2 THR 32 HG23 THR 32 191.601 4.278 0.176 278 H HIS 33 HN HIS 33 190.943 3.963 -2.213 279 HA HIS 33 HA HIS 33 190.484 4.555 -5.064 280 1HB HIS 33 HB2 HIS 33 192.316 2.519 -3.803 281 2HB HIS 33 HB1 HIS 33 191.791 2.398 -5.479 282 HD1 HIS 33 HD1 HIS 33 193.176 3.615 -7.146 283 HD2 HIS 33 HD2 HIS 33 193.772 5.028 -3.283 284 HE1 HIS 33 HE1 HIS 33 195.048 5.286 -7.322 285 HE2 HIS 33 HE2 HIS 33 195.379 6.144 -4.976 286 H LEU 34 HN LEU 34 190.004 2.239 -2.432 287 HA LEU 34 HA LEU 34 188.393 0.687 -2.037 288 1HB LEU 34 HB2 LEU 34 186.942 2.395 -4.051 289 2HB LEU 34 HB1 LEU 34 186.195 1.007 -3.288 290 HG LEU 34 HG LEU 34 185.433 2.804 -2.020 291 1HD1 LEU 34 HD11 LEU 34 186.747 0.923 -0.759 292 2HD1 LEU 34 HD12 LEU 34 186.153 2.339 0.106 293 3HD1 LEU 34 HD13 LEU 34 187.848 2.244 -0.370 294 1HD2 LEU 34 HD21 LEU 34 186.481 4.728 -2.535 295 2HD2 LEU 34 HD22 LEU 34 188.063 3.960 -2.655 296 3HD2 LEU 34 HD23 LEU 34 187.405 4.378 -1.075 297 H ILE 35 HN ILE 35 188.035 -1.382 -2.676 298 HA ILE 35 HA ILE 35 188.453 -2.012 -5.524 299 HB ILE 35 HB ILE 35 189.406 -3.933 -3.447 300 1HG1 ILE 35 HG12 ILE 35 191.584 -2.322 -4.472 301 2HG1 ILE 35 HG11 ILE 35 190.441 -1.329 -3.578 302 1HG2 ILE 35 HG21 ILE 35 189.600 -4.967 -5.448 303 2HG2 ILE 35 HG22 ILE 35 191.142 -4.110 -5.465 304 3HG2 ILE 35 HG23 ILE 35 189.759 -3.454 -6.340 305 1HD1 ILE 35 HD11 ILE 35 192.013 -2.014 -2.002 306 2HD1 ILE 35 HD12 ILE 35 192.029 -3.670 -2.609 307 3HD1 ILE 35 HD13 ILE 35 190.622 -3.064 -1.733 308 H ASN 36 HN ASN 36 187.517 -3.570 -2.456 309 HA ASN 36 HA ASN 36 185.417 -5.013 -3.923 310 1HB ASN 36 HB2 ASN 36 187.255 -5.734 -1.741 311 2HB ASN 36 HB1 ASN 36 185.598 -6.292 -1.519 312 1HD2 ASN 36 HD21 ASN 36 188.155 -7.699 -2.116 313 2HD2 ASN 36 HD22 ASN 36 187.819 -8.654 -3.516 314 HA PRO 37 HA PRO 37 182.894 -2.287 -1.256 315 1HB PRO 37 HB2 PRO 37 181.054 -1.633 -3.080 316 2HB PRO 37 HB1 PRO 37 182.661 -0.895 -3.107 317 1HG PRO 37 HG2 PRO 37 181.550 -3.083 -4.803 318 2HG PRO 37 HG1 PRO 37 182.619 -1.746 -5.257 319 1HD PRO 37 HD2 PRO 37 183.432 -4.351 -4.714 320 2HD PRO 37 HD1 PRO 37 184.484 -2.924 -4.707 321 H HIS 38 HN HIS 38 182.200 -4.034 0.042 322 HA HIS 38 HA HIS 38 180.171 -5.835 -0.986 323 1HB HIS 38 HB2 HIS 38 182.085 -5.907 1.129 324 2HB HIS 38 HB1 HIS 38 180.486 -6.123 1.831 325 HD1 HIS 38 HD1 HIS 38 183.145 -8.036 0.500 326 HD2 HIS 38 HD2 HIS 38 179.005 -8.236 0.201 327 HE1 HIS 38 HE1 HIS 38 182.636 -10.389 -0.225 328 HE2 HIS 38 HE2 HIS 38 180.129 -10.467 -0.469 329 H ILE 39 HN ILE 39 178.275 -4.781 -1.284 330 HA ILE 39 HA ILE 39 177.239 -3.063 0.843 331 HB ILE 39 HB ILE 39 176.007 -3.609 -1.858 332 1HG1 ILE 39 HG12 ILE 39 178.277 -2.637 -2.074 333 2HG1 ILE 39 HG11 ILE 39 177.021 -1.531 -2.617 334 1HG2 ILE 39 HG21 ILE 39 174.289 -2.609 -0.798 335 2HG2 ILE 39 HG22 ILE 39 175.198 -1.136 -1.130 336 3HG2 ILE 39 HG23 ILE 39 175.323 -1.913 0.448 337 1HD1 ILE 39 HD11 ILE 39 177.558 -1.097 0.159 338 2HD1 ILE 39 HD12 ILE 39 177.716 0.015 -1.201 339 3HD1 ILE 39 HD13 ILE 39 179.058 -1.043 -0.766 340 H ILE 40 HN ILE 40 176.212 -4.126 2.418 341 HA ILE 40 HA ILE 40 174.514 -6.420 1.704 342 HB ILE 40 HB ILE 40 175.430 -5.638 4.470 343 1HG1 ILE 40 HG12 ILE 40 176.614 -7.818 2.749 344 2HG1 ILE 40 HG11 ILE 40 177.300 -6.198 2.831 345 1HG2 ILE 40 HG21 ILE 40 174.979 -8.256 4.616 346 2HG2 ILE 40 HG22 ILE 40 173.858 -7.865 3.311 347 3HG2 ILE 40 HG23 ILE 40 173.708 -7.062 4.874 348 1HD1 ILE 40 HD11 ILE 40 177.435 -6.551 5.340 349 2HD1 ILE 40 HD12 ILE 40 178.545 -7.485 4.335 350 3HD1 ILE 40 HD13 ILE 40 177.105 -8.251 5.005 351 H LEU 41 HN LEU 41 172.616 -5.443 1.108 352 HA LEU 41 HA LEU 41 171.356 -3.605 3.019 353 1HB LEU 41 HB2 LEU 41 171.401 -2.680 0.843 354 2HB LEU 41 HB1 LEU 41 170.891 -4.186 0.105 355 HG LEU 41 HG LEU 41 168.746 -3.625 1.702 356 1HD1 LEU 41 HD11 LEU 41 169.028 -1.517 2.433 357 2HD1 LEU 41 HD12 LEU 41 168.453 -1.100 0.818 358 3HD1 LEU 41 HD13 LEU 41 170.182 -1.115 1.162 359 1HD2 LEU 41 HD21 LEU 41 168.522 -4.330 -0.556 360 2HD2 LEU 41 HD22 LEU 41 169.308 -2.871 -1.159 361 3HD2 LEU 41 HD23 LEU 41 167.708 -2.771 -0.421 362 H SER 42 HN SER 42 170.395 -4.851 4.552 363 HA SER 42 HA SER 42 168.590 -6.984 3.616 364 1HB SER 42 HB2 SER 42 169.737 -6.709 6.396 365 2HB SER 42 HB1 SER 42 168.914 -8.105 5.701 366 HG SER 42 HG SER 42 171.446 -7.061 4.965 367 H LYS 43 HN LYS 43 166.571 -7.250 4.692 368 HA LYS 43 HA LYS 43 165.517 -4.732 5.794 369 1HB LYS 43 HB2 LYS 43 164.445 -5.396 3.714 370 2HB LYS 43 HB1 LYS 43 164.112 -6.996 4.359 371 1HG LYS 43 HG2 LYS 43 162.897 -5.399 6.202 372 2HG LYS 43 HG1 LYS 43 162.659 -4.483 4.716 373 1HD LYS 43 HD2 LYS 43 160.918 -5.821 4.321 374 2HD LYS 43 HD1 LYS 43 162.098 -7.084 3.970 375 1HE LYS 43 HE2 LYS 43 162.048 -7.754 6.339 376 2HE LYS 43 HE1 LYS 43 160.825 -6.523 6.647 377 1HZ LYS 43 HZ1 LYS 43 159.505 -7.717 4.839 378 2HZ LYS 43 HZ2 LYS 43 159.620 -8.471 6.348 379 3HZ LYS 43 HZ3 LYS 43 160.581 -9.003 5.063 380 H GLU 44 HN GLU 44 165.957 -5.048 7.966 381 HA GLU 44 HA GLU 44 165.153 -7.510 9.257 382 1HB GLU 44 HB2 GLU 44 167.140 -6.670 10.156 383 2HB GLU 44 HB1 GLU 44 166.558 -5.013 10.152 384 1HG GLU 44 HG2 GLU 44 165.409 -5.263 12.119 385 2HG GLU 44 HG1 GLU 44 165.214 -7.001 11.911 386 HA PRO 45 HA PRO 45 160.942 -6.673 10.270 387 1HB PRO 45 HB2 PRO 45 161.508 -7.137 13.085 388 2HB PRO 45 HB1 PRO 45 160.558 -8.113 11.970 389 1HG PRO 45 HG2 PRO 45 163.314 -8.469 12.842 390 2HG PRO 45 HG1 PRO 45 162.263 -9.599 11.973 391 1HD PRO 45 HD2 PRO 45 164.436 -8.403 10.849 392 2HD PRO 45 HD1 PRO 45 163.009 -8.900 9.918 393 H GLN 46 HN GLN 46 163.230 -5.539 12.754 394 HA GLN 46 HA GLN 46 161.579 -3.150 13.114 395 1HB GLN 46 HB2 GLN 46 162.493 -4.822 14.963 396 2HB GLN 46 HB1 GLN 46 163.880 -3.741 14.895 397 1HG GLN 46 HG2 GLN 46 162.272 -3.124 16.645 398 2HG GLN 46 HG1 GLN 46 162.497 -1.850 15.448 399 1HE2 GLN 46 HE21 GLN 46 160.542 -4.793 15.315 400 2HE2 GLN 46 HE22 GLN 46 159.030 -3.991 15.086 401 H GLY 47 HN GLY 47 163.038 -3.014 10.769 402 1HA GLY 47 HA2 GLY 47 164.070 -0.713 10.374 403 2HA GLY 47 HA1 GLY 47 165.311 -1.270 11.477 404 H PHE 48 HN PHE 48 166.016 -0.367 9.032 405 HA PHE 48 HA PHE 48 166.459 -2.689 7.307 406 1HB PHE 48 HB2 PHE 48 166.145 0.119 6.873 407 2HB PHE 48 HB1 PHE 48 167.748 -0.336 6.321 408 HD1 PHE 48 HD1 PHE 48 164.996 -2.751 6.139 409 HD2 PHE 48 HD2 PHE 48 167.190 0.248 4.060 410 HE1 PHE 48 HE1 PHE 48 164.036 -3.519 4.010 411 HE2 PHE 48 HE2 PHE 48 166.226 -0.514 1.932 412 HZ PHE 48 HZ PHE 48 164.646 -2.404 1.907 413 H VAL 49 HN VAL 49 168.382 -3.703 7.180 414 HA VAL 49 HA VAL 49 170.597 -2.611 8.780 415 HB VAL 49 HB VAL 49 170.267 -5.457 7.824 416 1HG1 VAL 49 HG11 VAL 49 172.485 -5.331 8.325 417 2HG1 VAL 49 HG12 VAL 49 171.854 -5.656 9.940 418 3HG1 VAL 49 HG13 VAL 49 172.265 -4.006 9.470 419 1HG2 VAL 49 HG21 VAL 49 169.280 -4.072 10.276 420 2HG2 VAL 49 HG22 VAL 49 169.802 -5.753 10.384 421 3HG2 VAL 49 HG23 VAL 49 168.497 -5.303 9.286 422 H ALA 50 HN ALA 50 171.535 -1.265 7.255 423 HA ALA 50 HA ALA 50 172.449 -2.498 4.751 424 1HB ALA 50 HB1 ALA 50 171.906 0.311 5.589 425 2HB ALA 50 HB2 ALA 50 171.389 -0.554 4.142 426 3HB ALA 50 HB3 ALA 50 173.056 0.005 4.288 427 H ASP 51 HN ASP 51 174.322 -3.548 5.215 428 HA ASP 51 HA ASP 51 176.429 -2.037 6.610 429 1HB ASP 51 HB2 ASP 51 176.020 -5.007 6.244 430 2HB ASP 51 HB1 ASP 51 177.510 -4.312 6.873 431 H ALA 52 HN ALA 52 177.661 -1.000 5.170 432 HA ALA 52 HA ALA 52 178.305 -2.326 2.632 433 1HB ALA 52 HB1 ALA 52 178.068 0.489 3.496 434 2HB ALA 52 HB2 ALA 52 177.617 -0.275 1.972 435 3HB ALA 52 HB3 ALA 52 179.304 0.132 2.290 436 H THR 53 HN THR 53 179.957 -3.703 3.204 437 HA THR 53 HA THR 53 182.274 -2.683 4.630 438 HB THR 53 HB THR 53 182.910 -5.235 3.765 439 HG1 THR 53 HG1 THR 53 180.170 -5.226 4.477 440 1HG2 THR 53 HG21 THR 53 183.184 -4.421 6.050 441 2HG2 THR 53 HG22 THR 53 182.387 -5.993 6.001 442 3HG2 THR 53 HG23 THR 53 181.442 -4.531 6.295 443 H ILE 54 HN ILE 54 183.479 -1.365 3.385 444 HA ILE 54 HA ILE 54 184.146 -2.251 0.660 445 HB ILE 54 HB ILE 54 184.834 0.492 1.584 446 1HG1 ILE 54 HG12 ILE 54 182.028 -0.377 0.840 447 2HG1 ILE 54 HG11 ILE 54 182.544 0.218 2.414 448 1HG2 ILE 54 HG21 ILE 54 185.368 -0.499 -0.681 449 2HG2 ILE 54 HG22 ILE 54 184.536 1.055 -0.689 450 3HG2 ILE 54 HG23 ILE 54 183.639 -0.428 -1.018 451 1HD1 ILE 54 HD11 ILE 54 181.422 1.981 1.298 452 2HD1 ILE 54 HD12 ILE 54 182.384 1.752 -0.162 453 3HD1 ILE 54 HD13 ILE 54 183.141 2.372 1.304 454 H ASN 55 HN ASN 55 186.166 -2.805 0.152 455 HA ASN 55 HA ASN 55 188.198 -2.681 2.235 456 1HB ASN 55 HB2 ASN 55 187.862 -4.827 1.125 457 2HB ASN 55 HB1 ASN 55 188.173 -4.089 -0.444 458 1HD2 ASN 55 HD21 ASN 55 189.856 -3.671 2.639 459 2HD2 ASN 55 HD22 ASN 55 191.390 -4.228 2.076 460 H THR 56 HN THR 56 189.090 -0.688 2.287 461 HA THR 56 HA THR 56 189.836 0.644 -0.192 462 HB THR 56 HB THR 56 190.139 2.595 1.075 463 HG1 THR 56 HG1 THR 56 191.144 2.505 2.893 464 1HG2 THR 56 HG21 THR 56 187.789 1.160 1.518 465 2HG2 THR 56 HG22 THR 56 188.051 2.893 1.717 466 3HG2 THR 56 HG23 THR 56 188.263 1.806 3.089 467 HA PRO 57 HA PRO 57 194.090 -0.472 -0.321 468 1HB PRO 57 HB2 PRO 57 195.294 2.014 -0.596 469 2HB PRO 57 HB1 PRO 57 194.616 1.059 -1.918 470 1HG PRO 57 HG2 PRO 57 193.405 3.335 -0.407 471 2HG PRO 57 HG1 PRO 57 193.317 2.964 -2.139 472 1HD PRO 57 HD2 PRO 57 191.263 2.445 -0.506 473 2HD PRO 57 HD1 PRO 57 191.680 1.342 -1.835 474 H ASN 58 HN ASN 58 192.976 1.854 2.002 475 HA ASN 58 HA ASN 58 195.401 1.467 3.614 476 1HB ASN 58 HB2 ASN 58 193.274 3.600 3.624 477 2HB ASN 58 HB1 ASN 58 194.390 3.397 4.971 478 1HD2 ASN 58 HD21 ASN 58 194.000 5.565 2.967 479 2HD2 ASN 58 HD22 ASN 58 195.566 5.827 2.288 480 H GLY 59 HN GLY 59 193.009 -0.388 3.292 481 1HA GLY 59 HA2 GLY 59 192.786 -1.896 5.326 482 2HA GLY 59 HA1 GLY 59 192.168 -0.456 6.121 483 H VAL 60 HN VAL 60 190.100 -0.992 6.520 484 HA VAL 60 HA VAL 60 188.392 -1.473 4.188 485 HB VAL 60 HB VAL 60 189.052 -3.522 5.921 486 1HG1 VAL 60 HG11 VAL 60 187.703 -2.513 7.711 487 2HG1 VAL 60 HG12 VAL 60 187.069 -4.076 7.194 488 3HG1 VAL 60 HG13 VAL 60 186.284 -2.588 6.665 489 1HG2 VAL 60 HG21 VAL 60 188.242 -3.960 3.761 490 2HG2 VAL 60 HG22 VAL 60 186.718 -3.128 4.076 491 3HG2 VAL 60 HG23 VAL 60 187.059 -4.670 4.862 492 H LEU 61 HN LEU 61 186.700 -0.173 4.148 493 HA LEU 61 HA LEU 61 185.950 1.238 6.620 494 1HB LEU 61 HB2 LEU 61 186.000 2.018 3.739 495 2HB LEU 61 HB1 LEU 61 184.806 2.760 4.781 496 HG LEU 61 HG LEU 61 187.048 3.976 4.391 497 1HD1 LEU 61 HD11 LEU 61 185.737 5.026 5.929 498 2HD1 LEU 61 HD12 LEU 61 187.070 4.521 6.970 499 3HD1 LEU 61 HD13 LEU 61 185.574 3.587 6.938 500 1HD2 LEU 61 HD21 LEU 61 188.937 3.312 5.510 501 2HD2 LEU 61 HD22 LEU 61 188.259 1.747 5.063 502 3HD2 LEU 61 HD23 LEU 61 188.037 2.370 6.697 503 H VAL 62 HN VAL 62 184.434 -0.197 7.431 504 HA VAL 62 HA VAL 62 182.263 -1.048 5.694 505 HB VAL 62 HB VAL 62 181.857 -2.764 7.102 506 1HG1 VAL 62 HG11 VAL 62 184.298 -2.787 6.660 507 2HG1 VAL 62 HG12 VAL 62 183.835 -3.635 8.135 508 3HG1 VAL 62 HG13 VAL 62 184.549 -2.025 8.231 509 1HG2 VAL 62 HG21 VAL 62 182.088 -2.662 9.583 510 2HG2 VAL 62 HG22 VAL 62 180.926 -1.517 8.911 511 3HG2 VAL 62 HG23 VAL 62 182.520 -0.960 9.422 512 H ALA 63 HN ALA 63 180.481 0.088 5.490 513 HA ALA 63 HA ALA 63 179.848 2.151 7.452 514 1HB ALA 63 HB1 ALA 63 179.898 2.345 4.819 515 2HB ALA 63 HB2 ALA 63 178.755 3.266 5.796 516 3HB ALA 63 HB3 ALA 63 178.234 1.788 4.988 517 H SER 64 HN SER 64 178.309 1.898 8.940 518 HA SER 64 HA SER 64 176.386 -0.303 8.601 519 1HB SER 64 HB2 SER 64 176.204 0.362 11.241 520 2HB SER 64 HB1 SER 64 177.263 -0.894 10.602 521 HG SER 64 HG SER 64 178.899 0.273 11.178 522 H GLY 65 HN GLY 65 174.264 0.122 8.496 523 1HA GLY 65 HA2 GLY 65 173.291 2.737 9.421 524 2HA GLY 65 HA1 GLY 65 172.959 2.239 7.768 525 H LYS 66 HN LYS 66 171.641 2.432 10.750 526 HA LYS 66 HA LYS 66 169.812 0.186 10.216 527 1HB LYS 66 HB2 LYS 66 171.265 0.919 12.660 528 2HB LYS 66 HB1 LYS 66 169.548 0.632 12.911 529 1HG LYS 66 HG2 LYS 66 169.949 -1.540 12.954 530 2HG LYS 66 HG1 LYS 66 170.468 -1.456 11.270 531 1HD LYS 66 HD2 LYS 66 172.738 -1.100 11.906 532 2HD LYS 66 HD1 LYS 66 172.289 -0.866 13.597 533 1HE LYS 66 HE2 LYS 66 172.229 -3.409 11.990 534 2HE LYS 66 HE1 LYS 66 173.180 -3.056 13.433 535 1HZ LYS 66 HZ1 LYS 66 171.393 -4.399 14.120 536 2HZ LYS 66 HZ2 LYS 66 170.257 -3.497 13.251 537 3HZ LYS 66 HZ3 LYS 66 170.995 -2.833 14.621 538 H HIS 67 HN HIS 67 167.878 0.908 9.628 539 HA HIS 67 HA HIS 67 166.325 2.645 11.196 540 1HB HIS 67 HB2 HIS 67 168.136 4.153 9.914 541 2HB HIS 67 HB1 HIS 67 166.905 4.077 8.658 542 HD1 HIS 67 HD1 HIS 67 167.662 5.604 11.947 543 HD2 HIS 67 HD2 HIS 67 164.438 5.322 9.342 544 HE1 HIS 67 HE1 HIS 67 166.010 7.330 12.733 545 HE2 HIS 67 HE2 HIS 67 164.101 7.193 11.094 546 H GLU 68 HN GLU 68 164.281 2.132 10.786 547 HA GLU 68 HA GLU 68 163.398 0.286 8.997 548 1HB GLU 68 HB2 GLU 68 161.142 1.121 9.358 549 2HB GLU 68 HB1 GLU 68 162.051 1.143 10.862 550 1HG GLU 68 HG2 GLU 68 161.924 3.369 11.059 551 2HG GLU 68 HG1 GLU 68 162.161 3.639 9.333 552 H ASP 69 HN ASP 69 163.979 3.668 8.348 553 HA ASP 69 HA ASP 69 162.633 3.598 5.795 554 1HB ASP 69 HB2 ASP 69 163.974 5.637 7.448 555 2HB ASP 69 HB1 ASP 69 164.150 5.861 5.710 556 H MET 70 HN MET 70 163.483 3.078 3.894 557 HA MET 70 HA MET 70 165.928 1.783 3.631 558 1HB MET 70 HB2 MET 70 164.235 1.377 2.014 559 2HB MET 70 HB1 MET 70 164.107 3.081 1.610 560 1HG MET 70 HG2 MET 70 166.747 2.440 1.045 561 2HG MET 70 HG1 MET 70 165.828 1.036 0.513 562 1HE MET 70 HE1 MET 70 163.785 1.168 -1.131 563 2HE MET 70 HE2 MET 70 163.297 2.617 -2.011 564 3HE MET 70 HE3 MET 70 163.003 2.498 -0.276 565 H TYR 71 HN TYR 71 165.132 4.958 2.214 566 HA TYR 71 HA TYR 71 167.749 5.658 1.560 567 1HB TYR 71 HB2 TYR 71 165.250 7.246 2.023 568 2HB TYR 71 HB1 TYR 71 166.775 8.073 1.736 569 HD1 TYR 71 HD1 TYR 71 164.964 8.831 -0.151 570 HD2 TYR 71 HD2 TYR 71 167.048 5.120 -0.054 571 HE1 TYR 71 HE1 TYR 71 164.637 8.586 -2.575 572 HE2 TYR 71 HE2 TYR 71 166.729 4.868 -2.472 573 HH TYR 71 HH TYR 71 165.593 7.426 -4.454 574 H THR 72 HN THR 72 165.934 6.224 4.545 575 HA THR 72 HA THR 72 167.754 7.941 5.796 576 HB THR 72 HB THR 72 166.035 5.840 7.126 577 HG1 THR 72 HG1 THR 72 164.522 7.572 7.274 578 1HG2 THR 72 HG21 THR 72 167.401 6.686 8.809 579 2HG2 THR 72 HG22 THR 72 165.920 7.636 8.924 580 3HG2 THR 72 HG23 THR 72 167.351 8.322 8.154 581 H ALA 73 HN ALA 73 167.664 4.437 5.539 582 HA ALA 73 HA ALA 73 169.709 3.838 7.372 583 1HB ALA 73 HB1 ALA 73 169.322 2.191 4.912 584 2HB ALA 73 HB2 ALA 73 168.026 2.289 6.105 585 3HB ALA 73 HB3 ALA 73 169.614 1.678 6.574 586 H ILE 74 HN ILE 74 169.850 4.140 3.824 587 HA ILE 74 HA ILE 74 172.619 3.867 3.566 588 HB ILE 74 HB ILE 74 171.820 5.761 1.599 589 1HG1 ILE 74 HG12 ILE 74 169.473 5.037 2.335 590 2HG1 ILE 74 HG11 ILE 74 169.853 4.911 0.625 591 1HG2 ILE 74 HG21 ILE 74 172.357 2.807 1.550 592 2HG2 ILE 74 HG22 ILE 74 173.456 4.127 1.145 593 3HG2 ILE 74 HG23 ILE 74 172.086 3.765 0.093 594 1HD1 ILE 74 HD11 ILE 74 168.609 2.977 1.435 595 2HD1 ILE 74 HD12 ILE 74 169.901 2.630 2.585 596 3HD1 ILE 74 HD13 ILE 74 170.211 2.527 0.852 597 H ASN 75 HN ASN 75 170.646 6.638 4.376 598 HA ASN 75 HA ASN 75 172.603 8.640 4.073 599 1HB ASN 75 HB2 ASN 75 170.008 8.407 5.525 600 2HB ASN 75 HB1 ASN 75 171.078 9.737 5.958 601 1HD2 ASN 75 HD21 ASN 75 169.930 8.131 3.005 602 2HD2 ASN 75 HD22 ASN 75 169.583 9.589 2.147 603 H GLU 76 HN GLU 76 171.358 7.324 7.155 604 HA GLU 76 HA GLU 76 173.316 8.337 8.808 605 1HB GLU 76 HB2 GLU 76 171.283 7.228 9.625 606 2HB GLU 76 HB1 GLU 76 171.904 5.677 9.077 607 1HG GLU 76 HG2 GLU 76 173.772 5.882 10.651 608 2HG GLU 76 HG1 GLU 76 173.112 7.416 11.216 609 H LEU 77 HN LEU 77 173.339 5.335 6.964 610 HA LEU 77 HA LEU 77 175.737 4.276 7.957 611 1HB LEU 77 HB2 LEU 77 174.678 2.654 6.801 612 2HB LEU 77 HB1 LEU 77 173.934 3.789 5.694 613 HG LEU 77 HG LEU 77 176.840 3.189 5.391 614 1HD1 LEU 77 HD11 LEU 77 176.344 0.994 5.286 615 2HD1 LEU 77 HD12 LEU 77 175.771 1.420 3.673 616 3HD1 LEU 77 HD13 LEU 77 174.625 1.286 5.008 617 1HD2 LEU 77 HD21 LEU 77 174.582 4.116 3.672 618 2HD2 LEU 77 HD22 LEU 77 176.003 3.371 2.943 619 3HD2 LEU 77 HD23 LEU 77 176.175 4.833 3.913 620 H ILE 78 HN ILE 78 175.116 6.752 5.576 621 HA ILE 78 HA ILE 78 177.720 6.655 4.400 622 HB ILE 78 HB ILE 78 175.411 7.734 3.552 623 1HG1 ILE 78 HG12 ILE 78 176.817 8.951 1.849 624 2HG1 ILE 78 HG11 ILE 78 178.229 8.536 2.816 625 1HG2 ILE 78 HG21 ILE 78 175.364 10.086 3.628 626 2HG2 ILE 78 HG22 ILE 78 176.990 10.178 4.302 627 3HG2 ILE 78 HG23 ILE 78 175.662 9.573 5.287 628 1HD1 ILE 78 HD11 ILE 78 177.827 7.033 0.886 629 2HD1 ILE 78 HD12 ILE 78 176.329 6.515 1.657 630 3HD1 ILE 78 HD13 ILE 78 177.877 6.206 2.442 631 H ASN 79 HN ASN 79 176.225 8.640 6.933 632 HA ASN 79 HA ASN 79 178.397 10.423 7.209 633 1HB ASN 79 HB2 ASN 79 177.342 11.236 9.154 634 2HB ASN 79 HB1 ASN 79 176.026 10.718 8.110 635 1HD2 ASN 79 HD21 ASN 79 174.468 9.854 9.243 636 2HD2 ASN 79 HD22 ASN 79 174.646 8.802 10.603 637 H LYS 80 HN LYS 80 177.683 7.303 8.674 638 HA LYS 80 HA LYS 80 179.765 7.378 10.599 639 1HB LYS 80 HB2 LYS 80 177.973 5.295 9.467 640 2HB LYS 80 HB1 LYS 80 179.440 4.742 10.263 641 1HG LYS 80 HG2 LYS 80 178.423 4.936 12.215 642 2HG LYS 80 HG1 LYS 80 178.297 6.675 11.957 643 1HD LYS 80 HD2 LYS 80 176.084 6.456 11.879 644 2HD LYS 80 HD1 LYS 80 176.263 5.499 10.408 645 1HE LYS 80 HE2 LYS 80 176.038 4.553 13.249 646 2HE LYS 80 HE1 LYS 80 175.016 4.148 11.870 647 1HZ LYS 80 HZ1 LYS 80 177.557 3.015 12.687 648 2HZ LYS 80 HZ2 LYS 80 177.382 3.264 11.023 649 3HZ LYS 80 HZ3 LYS 80 176.268 2.301 11.855 650 H LEU 81 HN LEU 81 179.552 5.957 7.352 651 HA LEU 81 HA LEU 81 182.102 4.808 7.270 652 1HB LEU 81 HB2 LEU 81 180.052 4.695 5.626 653 2HB LEU 81 HB1 LEU 81 180.884 6.013 4.822 654 HG LEU 81 HG LEU 81 181.959 3.232 5.288 655 1HD1 LEU 81 HD11 LEU 81 180.235 4.009 3.374 656 2HD1 LEU 81 HD12 LEU 81 181.459 2.760 3.142 657 3HD1 LEU 81 HD13 LEU 81 181.765 4.410 2.594 658 1HD2 LEU 81 HD21 LEU 81 183.794 4.197 3.722 659 2HD2 LEU 81 HD22 LEU 81 183.869 4.521 5.455 660 3HD2 LEU 81 HD23 LEU 81 183.260 5.755 4.351 661 H GLU 82 HN GLU 82 181.009 8.083 6.596 662 HA GLU 82 HA GLU 82 183.348 9.052 5.385 663 1HB GLU 82 HB2 GLU 82 181.094 10.178 5.437 664 2HB GLU 82 HB1 GLU 82 181.445 10.656 7.092 665 1HG GLU 82 HG2 GLU 82 183.647 11.592 5.933 666 2HG GLU 82 HG1 GLU 82 182.560 11.662 4.546 667 H ARG 83 HN ARG 83 182.263 9.503 8.763 668 HA ARG 83 HA ARG 83 184.516 10.763 9.728 669 1HB ARG 83 HB2 ARG 83 183.694 10.382 11.856 670 2HB ARG 83 HB1 ARG 83 182.247 10.193 10.880 671 1HG ARG 83 HG2 ARG 83 182.041 8.363 12.204 672 2HG ARG 83 HG1 ARG 83 183.002 7.656 10.904 673 1HD ARG 83 HD2 ARG 83 184.191 6.952 12.728 674 2HD ARG 83 HD1 ARG 83 185.013 8.469 12.381 675 HE ARG 83 HE ARG 83 183.173 7.944 14.595 676 1HH1 ARG 83 HH11 ARG 83 185.314 10.167 12.944 677 2HH1 ARG 83 HH12 ARG 83 185.402 11.260 14.281 678 1HH2 ARG 83 HH21 ARG 83 183.297 9.387 16.345 679 2HH2 ARG 83 HH22 ARG 83 184.261 10.820 16.208 680 H GLN 84 HN GLN 84 183.985 7.324 9.215 681 HA GLN 84 HA GLN 84 186.305 6.421 10.565 682 1HB GLN 84 HB2 GLN 84 184.311 5.021 9.894 683 2HB GLN 84 HB1 GLN 84 184.930 5.059 8.248 684 1HG GLN 84 HG2 GLN 84 186.805 3.783 8.798 685 2HG GLN 84 HG1 GLN 84 186.613 4.081 10.524 686 1HE2 GLN 84 HE21 GLN 84 184.127 3.139 8.214 687 2HE2 GLN 84 HE22 GLN 84 183.774 1.611 8.940 688 H LEU 85 HN LEU 85 185.680 7.487 7.277 689 HA LEU 85 HA LEU 85 188.201 6.683 6.221 690 1HB LEU 85 HB2 LEU 85 185.816 7.664 5.190 691 2HB LEU 85 HB1 LEU 85 186.967 8.948 4.870 692 HG LEU 85 HG LEU 85 187.626 6.125 4.117 693 1HD1 LEU 85 HD11 LEU 85 185.645 6.218 2.963 694 2HD1 LEU 85 HD12 LEU 85 186.745 6.948 1.794 695 3HD1 LEU 85 HD13 LEU 85 185.704 7.971 2.785 696 1HD2 LEU 85 HD21 LEU 85 188.661 8.827 3.602 697 2HD2 LEU 85 HD22 LEU 85 188.601 7.764 2.197 698 3HD2 LEU 85 HD23 LEU 85 189.498 7.275 3.635 699 H ASN 86 HN ASN 86 187.026 9.506 7.892 700 HA ASN 86 HA ASN 86 189.156 11.252 7.194 701 1HB ASN 86 HB2 ASN 86 187.019 11.252 9.293 702 2HB ASN 86 HB1 ASN 86 188.339 12.411 9.403 703 1HD2 ASN 86 HD21 ASN 86 185.670 11.297 7.432 704 2HD2 ASN 86 HD22 ASN 86 185.485 12.753 6.521 705 H LYS 87 HN LYS 87 188.468 9.505 10.234 706 HA LYS 87 HA LYS 87 190.848 10.132 11.532 707 1HB LYS 87 HB2 LYS 87 190.366 8.308 13.031 708 2HB LYS 87 HB1 LYS 87 188.857 9.104 12.609 709 1HG LYS 87 HG2 LYS 87 188.191 6.957 12.365 710 2HG LYS 87 HG1 LYS 87 188.832 7.217 10.743 711 1HD LYS 87 HD2 LYS 87 190.621 5.864 11.085 712 2HD LYS 87 HD1 LYS 87 190.758 6.300 12.789 713 1HE LYS 87 HE2 LYS 87 189.846 4.326 13.267 714 2HE LYS 87 HE1 LYS 87 188.335 4.952 12.607 715 1HZ LYS 87 HZ1 LYS 87 188.964 4.089 10.440 716 2HZ LYS 87 HZ2 LYS 87 188.947 2.848 11.589 717 3HZ LYS 87 HZ3 LYS 87 190.420 3.497 11.068 718 H LEU 88 HN LEU 88 190.117 7.540 9.259 719 HA LEU 88 HA LEU 88 192.519 6.094 9.604 720 1HB LEU 88 HB2 LEU 88 190.197 5.938 7.967 721 2HB LEU 88 HB1 LEU 88 191.597 5.849 6.915 722 HG LEU 88 HG LEU 88 190.908 4.006 9.198 723 1HD1 LEU 88 HD11 LEU 88 191.421 2.489 7.001 724 2HD1 LEU 88 HD12 LEU 88 190.682 3.918 6.279 725 3HD1 LEU 88 HD13 LEU 88 189.815 3.008 7.517 726 1HD2 LEU 88 HD21 LEU 88 193.045 2.828 8.192 727 2HD2 LEU 88 HD22 LEU 88 193.176 4.035 9.471 728 3HD2 LEU 88 HD23 LEU 88 193.485 4.489 7.796 729 H GLN 89 HN GLN 89 191.599 8.717 7.421 730 HA GLN 89 HA GLN 89 194.125 8.714 6.052 731 1HB GLN 89 HB2 GLN 89 191.698 9.595 5.337 732 2HB GLN 89 HB1 GLN 89 192.361 11.103 5.953 733 1HG GLN 89 HG2 GLN 89 192.978 11.264 3.772 734 2HG GLN 89 HG1 GLN 89 194.397 10.447 4.424 735 1HE2 GLN 89 HE21 GLN 89 193.624 10.393 1.724 736 2HE2 GLN 89 HE22 GLN 89 193.217 8.767 1.311 737 H HIS 90 HN HIS 90 192.822 10.219 8.881 738 HA HIS 90 HA HIS 90 194.378 12.506 9.097 739 1HB HIS 90 HB2 HIS 90 192.821 10.825 10.900 740 2HB HIS 90 HB1 HIS 90 194.202 11.567 11.702 741 HD1 HIS 90 HD1 HIS 90 192.667 13.529 8.972 742 HD2 HIS 90 HD2 HIS 90 192.326 13.203 13.100 743 HE1 HIS 90 HE1 HIS 90 191.385 15.566 9.703 744 HE2 HIS 90 HE2 HIS 90 191.268 15.390 12.214 745 H LYS 91 HN LYS 91 195.059 9.446 10.791 746 HA LYS 91 HA LYS 91 197.931 10.057 10.537 747 1HB LYS 91 HB2 LYS 91 196.744 8.332 12.700 748 2HB LYS 91 HB1 LYS 91 198.334 9.079 12.653 749 1HG LYS 91 HG2 LYS 91 197.579 10.877 13.699 750 2HG LYS 91 HG1 LYS 91 196.309 11.101 12.497 751 1HD LYS 91 HD2 LYS 91 196.171 9.283 14.902 752 2HD LYS 91 HD1 LYS 91 195.372 10.848 14.742 753 1HE LYS 91 HE2 LYS 91 194.326 9.789 12.606 754 2HE LYS 91 HE1 LYS 91 194.775 8.262 13.363 755 1HZ LYS 91 HZ1 LYS 91 193.240 10.292 14.855 756 2HZ LYS 91 HZ2 LYS 91 193.345 8.626 15.131 757 3HZ LYS 91 HZ3 LYS 91 192.458 9.210 13.814 758 H GLY 92 HN GLY 92 195.584 7.407 10.828 759 1HA GLY 92 HA2 GLY 92 195.609 5.715 9.058 760 2HA GLY 92 HA1 GLY 92 197.364 5.773 9.145 761 H GLU 93 HN GLU 93 197.914 3.819 9.803 762 HA GLU 93 HA GLU 93 197.115 2.979 12.471 763 1HB GLU 93 HB2 GLU 93 196.870 1.125 10.092 764 2HB GLU 93 HB1 GLU 93 196.570 0.703 11.771 765 1HG GLU 93 HG2 GLU 93 194.864 2.758 11.504 766 2HG GLU 93 HG1 GLU 93 194.881 2.156 9.848 767 H ALA 94 HN ALA 94 198.824 1.652 9.640 768 HA ALA 94 HA ALA 94 201.407 1.947 10.732 769 1HB ALA 94 HB1 ALA 94 200.981 0.272 12.301 770 2HB ALA 94 HB2 ALA 94 201.812 -0.578 10.997 771 3HB ALA 94 HB3 ALA 94 200.060 -0.700 11.154 772 H ARG 95 HN ARG 95 201.093 2.764 8.441 773 HA ARG 95 HA ARG 95 200.797 1.090 6.242 774 1HB ARG 95 HB2 ARG 95 201.476 3.806 6.707 775 2HB ARG 95 HB1 ARG 95 202.672 3.150 5.597 776 1HG ARG 95 HG2 ARG 95 200.714 4.193 4.485 777 2HG ARG 95 HG1 ARG 95 200.980 2.506 4.041 778 1HD ARG 95 HD2 ARG 95 198.946 1.950 4.742 779 2HD ARG 95 HD1 ARG 95 199.260 2.644 6.332 780 HE ARG 95 HE ARG 95 197.783 3.839 4.171 781 1HH1 ARG 95 HH11 ARG 95 199.588 4.449 7.095 782 2HH1 ARG 95 HH12 ARG 95 198.817 5.969 7.403 783 1HH2 ARG 95 HH21 ARG 95 196.768 5.838 4.574 784 2HH2 ARG 95 HH22 ARG 95 197.216 6.757 5.972 785 H ARG 96 HN ARG 96 201.910 -0.826 6.532 786 HA ARG 96 HA ARG 96 204.544 -1.208 7.238 787 1HB ARG 96 HB2 ARG 96 204.370 -3.251 5.611 788 2HB ARG 96 HB1 ARG 96 203.381 -3.193 7.062 789 1HG ARG 96 HG2 ARG 96 201.726 -3.730 5.650 790 2HG ARG 96 HG1 ARG 96 201.720 -2.005 5.288 791 1HD ARG 96 HD2 ARG 96 203.384 -2.504 3.461 792 2HD ARG 96 HD1 ARG 96 203.050 -4.214 3.740 793 HE ARG 96 HE ARG 96 201.411 -2.359 2.330 794 1HH1 ARG 96 HH11 ARG 96 201.307 -5.199 4.354 795 2HH1 ARG 96 HH12 ARG 96 199.780 -5.735 3.740 796 1HH2 ARG 96 HH21 ARG 96 199.397 -3.059 1.526 797 2HH2 ARG 96 HH22 ARG 96 198.696 -4.522 2.135 798 H ALA 97 HN ALA 97 206.368 -1.926 5.824 799 HA ALA 97 HA ALA 97 206.866 0.119 3.845 800 1HB ALA 97 HB1 ALA 97 208.779 -2.094 4.450 801 2HB ALA 97 HB2 ALA 97 208.498 -0.816 5.633 802 3HB ALA 97 HB3 ALA 97 209.105 -0.413 4.027 803 H ALA 98 HN ALA 98 205.301 -2.745 3.648 804 HA ALA 98 HA ALA 98 204.655 -4.060 1.907 805 1HB ALA 98 HB1 ALA 98 206.199 -2.590 -0.138 806 2HB ALA 98 HB2 ALA 98 204.995 -1.659 0.754 807 3HB ALA 98 HB3 ALA 98 204.512 -3.103 -0.137 808 H THR 99 HN THR 99 205.638 -5.968 2.248 809 HA THR 99 HA THR 99 208.452 -6.277 1.487 810 HB THR 99 HB THR 99 206.631 -8.112 3.059 811 HG1 THR 99 HG1 THR 99 207.958 -7.427 4.804 812 1HG2 THR 99 HG21 THR 99 209.574 -8.313 2.489 813 2HG2 THR 99 HG22 THR 99 208.314 -9.465 2.048 814 3HG2 THR 99 HG23 THR 99 208.739 -9.227 3.744 815 H SER 100 HN SER 100 209.053 -8.343 0.403 816 HA SER 100 HA SER 100 207.802 -8.620 -2.059 817 1HB SER 100 HB2 SER 100 210.146 -9.380 -1.366 818 2HB SER 100 HB1 SER 100 209.371 -10.839 -0.747 819 HG SER 100 HG SER 100 209.304 -9.880 -3.419 820 H VAL 101 HN VAL 101 205.666 -9.055 -2.141 821 HA VAL 101 HA VAL 101 204.603 -11.301 -0.597 822 HB VAL 101 HB VAL 101 203.348 -9.183 -0.540 823 1HG1 VAL 101 HG11 VAL 101 202.070 -8.536 -2.605 824 2HG1 VAL 101 HG12 VAL 101 203.114 -9.633 -3.507 825 3HG1 VAL 101 HG13 VAL 101 203.808 -8.242 -2.673 826 1HG2 VAL 101 HG21 VAL 101 201.325 -10.211 -0.490 827 2HG2 VAL 101 HG22 VAL 101 202.333 -11.648 -0.657 828 3HG2 VAL 101 HG23 VAL 101 201.541 -10.958 -2.073 829 H LYS 102 HN LYS 102 205.318 -10.301 -3.859 830 HA LYS 102 HA LYS 102 203.852 -12.335 -5.194 831 1HB LYS 102 HB2 LYS 102 204.344 -10.674 -6.680 832 2HB LYS 102 HB1 LYS 102 205.885 -10.305 -5.923 833 1HG LYS 102 HG2 LYS 102 206.994 -12.008 -7.085 834 2HG LYS 102 HG1 LYS 102 205.484 -12.800 -7.540 835 1HD LYS 102 HD2 LYS 102 205.126 -10.362 -8.657 836 2HD LYS 102 HD1 LYS 102 206.881 -10.522 -8.779 837 1HE LYS 102 HE2 LYS 102 204.981 -12.674 -9.677 838 2HE LYS 102 HE1 LYS 102 205.527 -11.380 -10.743 839 1HZ LYS 102 HZ1 LYS 102 207.259 -13.367 -9.372 840 2HZ LYS 102 HZ2 LYS 102 207.818 -12.095 -10.336 841 3HZ LYS 102 HZ3 LYS 102 206.891 -13.331 -11.024 842 H ASP 103 HN ASP 103 206.858 -12.293 -3.517 843 HA ASP 103 HA ASP 103 207.804 -14.725 -4.808 844 1HB ASP 103 HB2 ASP 103 209.873 -14.341 -3.777 845 2HB ASP 103 HB1 ASP 103 209.281 -12.720 -4.126 846 H ALA 104 HN ALA 104 205.381 -14.533 -2.966 847 HA ALA 104 HA ALA 104 206.184 -16.183 -0.717 848 1HB ALA 104 HB1 ALA 104 203.354 -15.476 -1.405 849 2HB ALA 104 HB2 ALA 104 204.437 -14.300 -0.661 850 3HB ALA 104 HB3 ALA 104 204.063 -15.807 0.173 851 H ASN 105 HN ASN 105 206.757 -18.172 -1.508 852 HA ASN 105 HA ASN 105 204.878 -19.592 -3.240 853 1HB ASN 105 HB2 ASN 105 207.705 -20.185 -2.360 854 2HB ASN 105 HB1 ASN 105 206.725 -21.344 -3.252 855 1HD2 ASN 105 HD21 ASN 105 209.084 -19.189 -3.617 856 2HD2 ASN 105 HD22 ASN 105 208.804 -18.678 -5.244 857 H PHE 106 HN PHE 106 206.922 -20.925 -0.669 858 HA PHE 106 HA PHE 106 204.934 -22.761 0.150 859 1HB PHE 106 HB2 PHE 106 206.492 -23.532 1.736 860 2HB PHE 106 HB1 PHE 106 207.480 -22.954 0.402 861 HD1 PHE 106 HD1 PHE 106 207.457 -20.034 0.913 862 HD2 PHE 106 HD2 PHE 106 207.855 -23.319 3.588 863 HE1 PHE 106 HE1 PHE 106 208.719 -18.609 2.470 864 HE2 PHE 106 HE2 PHE 106 209.115 -21.898 5.151 865 HZ PHE 106 HZ PHE 106 209.549 -19.539 4.594 866 H VAL 107 HN VAL 107 205.352 -22.441 3.073 867 HA VAL 107 HA VAL 107 203.056 -20.898 3.635 868 HB VAL 107 HB VAL 107 205.182 -21.704 5.621 869 1HG1 VAL 107 HG11 VAL 107 203.807 -20.453 6.904 870 2HG1 VAL 107 HG12 VAL 107 202.840 -21.928 6.917 871 3HG1 VAL 107 HG13 VAL 107 202.443 -20.623 5.800 872 1HG2 VAL 107 HG21 VAL 107 203.341 -23.622 5.896 873 2HG2 VAL 107 HG22 VAL 107 204.729 -23.779 4.821 874 3HG2 VAL 107 HG23 VAL 107 203.160 -23.306 4.171 875 H GLU 108 HN GLU 108 203.158 -18.789 3.053 876 HA GLU 108 HA GLU 108 205.028 -17.114 4.558 877 1HB GLU 108 HB2 GLU 108 204.604 -17.084 1.587 878 2HB GLU 108 HB1 GLU 108 205.187 -15.664 2.442 879 1HG GLU 108 HG2 GLU 108 206.679 -18.035 3.160 880 2HG GLU 108 HG1 GLU 108 206.711 -17.735 1.422 881 H GLU 109 HN GLU 109 203.202 -15.639 2.078 882 HA GLU 109 HA GLU 109 201.857 -13.886 3.761 883 1HB GLU 109 HB2 GLU 109 200.476 -13.316 1.812 884 2HB GLU 109 HB1 GLU 109 202.179 -13.435 1.387 885 1HG GLU 109 HG2 GLU 109 201.671 -14.867 -0.212 886 2HG GLU 109 HG1 GLU 109 201.043 -15.989 0.993 887 H VAL 110 HN VAL 110 200.682 -14.732 5.403 888 HA VAL 110 HA VAL 110 198.329 -16.335 4.649 889 HB VAL 110 HB VAL 110 198.488 -17.509 6.819 890 1HG1 VAL 110 HG11 VAL 110 200.854 -18.611 6.148 891 2HG1 VAL 110 HG12 VAL 110 200.470 -17.754 4.656 892 3HG1 VAL 110 HG13 VAL 110 199.341 -18.943 5.304 893 1HG2 VAL 110 HG21 VAL 110 200.010 -17.046 8.406 894 2HG2 VAL 110 HG22 VAL 110 200.172 -15.504 7.564 895 3HG2 VAL 110 HG23 VAL 110 201.307 -16.814 7.233 896 H GLU 111 HN GLU 111 196.924 -16.406 6.914 897 HA GLU 111 HA GLU 111 195.864 -13.798 7.120 898 1HB GLU 111 HB2 GLU 111 195.313 -16.431 8.367 899 2HB GLU 111 HB1 GLU 111 194.726 -15.012 9.226 900 1HG GLU 111 HG2 GLU 111 194.134 -15.560 6.330 901 2HG GLU 111 HG1 GLU 111 193.095 -16.080 7.657 902 H GLU 112 HN GLU 112 198.504 -15.224 8.644 903 HA GLU 112 HA GLU 112 198.372 -13.337 10.893 904 1HB GLU 112 HB2 GLU 112 199.521 -16.047 10.561 905 2HB GLU 112 HB1 GLU 112 200.460 -14.924 11.534 906 1HG GLU 112 HG2 GLU 112 197.542 -15.350 12.046 907 2HG GLU 112 HG1 GLU 112 198.761 -16.442 12.705 908 H GLU 113 HN GLU 113 198.951 -11.844 8.957 909 HA GLU 113 HA GLU 113 201.545 -11.862 7.875 910 1HB GLU 113 HB2 GLU 113 199.266 -10.331 7.550 911 2HB GLU 113 HB1 GLU 113 200.412 -9.192 8.243 912 1HG GLU 113 HG2 GLU 113 200.749 -10.808 5.730 913 2HG GLU 113 HG1 GLU 113 200.533 -9.064 5.862 Start of MODEL 19 1 1H MET 1 HT1 MET 1 185.573 0.773 -6.241 2 2H MET 1 HT2 MET 1 186.129 -0.796 -6.661 3 3H MET 1 HT3 MET 1 184.507 -0.566 -6.154 4 HA MET 1 HA MET 1 184.308 0.980 -8.103 5 1HB MET 1 HB2 MET 1 187.026 -0.058 -8.342 6 2HB MET 1 HB1 MET 1 186.086 -0.300 -9.810 7 1HG MET 1 HG2 MET 1 185.542 2.316 -9.034 8 2HG MET 1 HG1 MET 1 187.270 2.104 -8.752 9 1HE MET 1 HE1 MET 1 184.355 1.880 -11.291 10 2HE MET 1 HE2 MET 1 185.128 2.609 -12.697 11 3HE MET 1 HE3 MET 1 184.964 3.534 -11.206 12 H THR 2 HN THR 2 185.009 -2.350 -7.345 13 HA THR 2 HA THR 2 183.672 -3.516 -9.564 14 HB THR 2 HB THR 2 184.184 -4.707 -6.832 15 HG1 THR 2 HG1 THR 2 186.093 -5.458 -7.738 16 1HG2 THR 2 HG21 THR 2 184.344 -6.476 -9.121 17 2HG2 THR 2 HG22 THR 2 182.732 -5.799 -8.895 18 3HG2 THR 2 HG23 THR 2 183.510 -6.682 -7.580 19 H MET 3 HN MET 3 182.616 -2.288 -6.484 20 HA MET 3 HA MET 3 180.565 -2.046 -5.529 21 1HB MET 3 HB2 MET 3 180.110 -0.873 -7.649 22 2HB MET 3 HB1 MET 3 179.598 -2.391 -8.373 23 1HG MET 3 HG2 MET 3 177.600 -2.383 -7.318 24 2HG MET 3 HG1 MET 3 178.238 -1.593 -5.878 25 1HE MET 3 HE1 MET 3 176.195 -0.276 -5.595 26 2HE MET 3 HE2 MET 3 176.021 1.328 -6.305 27 3HE MET 3 HE3 MET 3 177.449 0.940 -5.347 28 H ASN 4 HN ASN 4 180.832 -4.057 -4.407 29 HA ASN 4 HA ASN 4 179.332 -6.319 -5.527 30 1HB ASN 4 HB2 ASN 4 181.366 -6.145 -3.303 31 2HB ASN 4 HB1 ASN 4 180.409 -7.592 -3.610 32 1HD2 ASN 4 HD21 ASN 4 183.302 -6.206 -4.148 33 2HD2 ASN 4 HD22 ASN 4 183.762 -7.016 -5.603 34 H ILE 5 HN ILE 5 177.489 -7.044 -4.623 35 HA ILE 5 HA ILE 5 176.650 -5.884 -2.051 36 HB ILE 5 HB ILE 5 174.760 -6.348 -4.355 37 1HG1 ILE 5 HG12 ILE 5 174.767 -3.701 -4.211 38 2HG1 ILE 5 HG11 ILE 5 176.404 -3.965 -3.618 39 1HG2 ILE 5 HG21 ILE 5 173.922 -6.376 -1.972 40 2HG2 ILE 5 HG22 ILE 5 173.149 -5.216 -3.051 41 3HG2 ILE 5 HG23 ILE 5 174.360 -4.671 -1.892 42 1HD1 ILE 5 HD11 ILE 5 175.260 -4.427 -6.311 43 2HD1 ILE 5 HD12 ILE 5 176.553 -5.491 -5.761 44 3HD1 ILE 5 HD13 ILE 5 176.818 -3.750 -5.839 45 H THR 6 HN THR 6 175.415 -7.213 -0.723 46 HA THR 6 HA THR 6 174.676 -9.861 -1.663 47 HB THR 6 HB THR 6 175.873 -10.635 0.627 48 HG1 THR 6 HG1 THR 6 177.900 -9.616 0.724 49 1HG2 THR 6 HG21 THR 6 176.714 -11.998 -0.900 50 2HG2 THR 6 HG22 THR 6 177.986 -10.800 -1.143 51 3HG2 THR 6 HG23 THR 6 176.555 -10.789 -2.174 52 H SER 7 HN SER 7 172.582 -8.881 -1.251 53 HA SER 7 HA SER 7 171.866 -8.274 1.485 54 1HB SER 7 HB2 SER 7 170.346 -8.328 -1.117 55 2HB SER 7 HB1 SER 7 169.521 -8.123 0.427 56 HG SER 7 HG SER 7 170.140 -6.125 0.423 57 H LYS 8 HN LYS 8 170.319 -9.442 2.724 58 HA LYS 8 HA LYS 8 170.607 -12.264 2.546 59 1HB LYS 8 HB2 LYS 8 169.369 -10.347 4.393 60 2HB LYS 8 HB1 LYS 8 168.536 -11.891 4.306 61 1HG LYS 8 HG2 LYS 8 170.027 -12.272 6.001 62 2HG LYS 8 HG1 LYS 8 170.922 -12.888 4.609 63 1HD LYS 8 HD2 LYS 8 171.777 -10.380 4.523 64 2HD LYS 8 HD1 LYS 8 171.378 -10.443 6.241 65 1HE LYS 8 HE2 LYS 8 172.730 -12.804 5.832 66 2HE LYS 8 HE1 LYS 8 173.582 -11.675 4.779 67 1HZ LYS 8 HZ1 LYS 8 173.372 -11.706 7.692 68 2HZ LYS 8 HZ2 LYS 8 173.434 -10.192 6.939 69 3HZ LYS 8 HZ3 LYS 8 174.688 -11.304 6.707 70 H GLN 9 HN GLN 9 167.443 -10.723 2.924 71 HA GLN 9 HA GLN 9 166.464 -12.399 0.705 72 1HB GLN 9 HB2 GLN 9 164.347 -12.603 1.860 73 2HB GLN 9 HB1 GLN 9 165.647 -13.129 2.920 74 1HG GLN 9 HG2 GLN 9 164.591 -10.333 3.052 75 2HG GLN 9 HG1 GLN 9 163.777 -11.658 3.884 76 1HE2 GLN 9 HE21 GLN 9 166.031 -9.276 4.193 77 2HE2 GLN 9 HE22 GLN 9 166.903 -9.884 5.555 78 H MET 10 HN MET 10 166.755 -9.227 1.953 79 HA MET 10 HA MET 10 164.577 -8.136 0.386 80 1HB MET 10 HB2 MET 10 165.348 -7.280 2.669 81 2HB MET 10 HB1 MET 10 166.714 -6.571 1.820 82 1HG MET 10 HG2 MET 10 164.963 -4.935 2.167 83 2HG MET 10 HG1 MET 10 165.188 -5.254 0.449 84 1HE MET 10 HE1 MET 10 163.266 -4.602 -0.644 85 2HE MET 10 HE2 MET 10 162.439 -3.830 0.711 86 3HE MET 10 HE3 MET 10 161.587 -5.007 -0.289 87 H GLU 11 HN GLU 11 165.008 -8.364 -1.763 88 HA GLU 11 HA GLU 11 167.519 -8.052 -2.976 89 1HB GLU 11 HB2 GLU 11 164.801 -7.601 -4.221 90 2HB GLU 11 HB1 GLU 11 166.299 -7.914 -5.086 91 1HG GLU 11 HG2 GLU 11 165.582 -10.029 -5.097 92 2HG GLU 11 HG1 GLU 11 166.202 -10.063 -3.446 93 H ILE 12 HN ILE 12 168.161 -6.329 -4.493 94 HA ILE 12 HA ILE 12 167.815 -3.747 -3.238 95 HB ILE 12 HB ILE 12 169.396 -4.290 -5.742 96 1HG1 ILE 12 HG12 ILE 12 170.261 -5.903 -4.237 97 2HG1 ILE 12 HG11 ILE 12 171.357 -4.531 -4.120 98 1HG2 ILE 12 HG21 ILE 12 169.110 -1.965 -5.262 99 2HG2 ILE 12 HG22 ILE 12 170.765 -2.410 -4.850 100 3HG2 ILE 12 HG23 ILE 12 169.563 -2.205 -3.575 101 1HD1 ILE 12 HD11 ILE 12 169.565 -3.970 -2.154 102 2HD1 ILE 12 HD12 ILE 12 171.108 -4.793 -1.921 103 3HD1 ILE 12 HD13 ILE 12 169.626 -5.732 -2.103 104 H THR 13 HN THR 13 165.956 -2.746 -3.680 105 HA THR 13 HA THR 13 164.588 -2.954 -6.174 106 HB THR 13 HB THR 13 163.003 -1.413 -5.238 107 HG1 THR 13 HG1 THR 13 163.683 0.158 -4.058 108 1HG2 THR 13 HG21 THR 13 164.121 -3.308 -3.211 109 2HG2 THR 13 HG22 THR 13 162.652 -3.451 -4.175 110 3HG2 THR 13 HG23 THR 13 162.731 -2.282 -2.857 111 HA PRO 14 HA PRO 14 166.287 0.151 -8.783 112 1HB PRO 14 HB2 PRO 14 164.012 1.785 -9.134 113 2HB PRO 14 HB1 PRO 14 164.518 0.445 -10.164 114 1HG PRO 14 HG2 PRO 14 162.492 0.501 -7.985 115 2HG PRO 14 HG1 PRO 14 162.509 -0.444 -9.485 116 1HD PRO 14 HD2 PRO 14 163.054 -1.580 -7.127 117 2HD PRO 14 HD1 PRO 14 163.931 -2.056 -8.596 118 H ALA 15 HN ALA 15 164.275 1.274 -6.107 119 HA ALA 15 HA ALA 15 165.323 3.922 -6.061 120 1HB ALA 15 HB1 ALA 15 163.241 3.733 -5.052 121 2HB ALA 15 HB2 ALA 15 164.335 3.851 -3.673 122 3HB ALA 15 HB3 ALA 15 163.694 2.281 -4.158 123 H ILE 16 HN ILE 16 166.143 0.907 -4.437 124 HA ILE 16 HA ILE 16 168.054 2.071 -2.665 125 HB ILE 16 HB ILE 16 167.799 -0.814 -3.522 126 1HG1 ILE 16 HG12 ILE 16 166.712 0.443 -1.005 127 2HG1 ILE 16 HG11 ILE 16 165.750 0.302 -2.474 128 1HG2 ILE 16 HG21 ILE 16 169.005 -1.332 -1.486 129 2HG2 ILE 16 HG22 ILE 16 169.104 0.382 -1.078 130 3HG2 ILE 16 HG23 ILE 16 169.959 -0.241 -2.489 131 1HD1 ILE 16 HD11 ILE 16 166.082 -1.594 -0.443 132 2HD1 ILE 16 HD12 ILE 16 166.937 -2.225 -1.852 133 3HD1 ILE 16 HD13 ILE 16 165.233 -1.786 -1.977 134 H ARG 17 HN ARG 17 168.283 0.313 -5.745 135 HA ARG 17 HA ARG 17 171.070 0.195 -5.900 136 1HB ARG 17 HB2 ARG 17 170.795 -0.542 -8.066 137 2HB ARG 17 HB1 ARG 17 169.201 -0.873 -7.404 138 1HG ARG 17 HG2 ARG 17 168.519 1.394 -8.337 139 2HG ARG 17 HG1 ARG 17 170.036 1.353 -9.236 140 1HD ARG 17 HD2 ARG 17 168.417 -1.092 -9.417 141 2HD ARG 17 HD1 ARG 17 167.683 0.343 -10.133 142 HE ARG 17 HE ARG 17 170.423 -0.115 -10.906 143 1HH1 ARG 17 HH11 ARG 17 167.069 -0.737 -11.648 144 2HH1 ARG 17 HH12 ARG 17 167.371 -1.066 -13.320 145 1HH2 ARG 17 HH21 ARG 17 170.820 -0.550 -13.107 146 2HH2 ARG 17 HH22 ARG 17 169.500 -0.962 -14.148 147 H GLN 18 HN GLN 18 168.818 2.741 -6.830 148 HA GLN 18 HA GLN 18 170.714 4.390 -8.141 149 1HB GLN 18 HB2 GLN 18 167.995 4.855 -6.955 150 2HB GLN 18 HB1 GLN 18 168.953 6.210 -7.538 151 1HG GLN 18 HG2 GLN 18 168.704 3.945 -9.395 152 2HG GLN 18 HG1 GLN 18 167.212 4.818 -9.047 153 1HE2 GLN 18 HE21 GLN 18 169.371 4.608 -11.312 154 2HE2 GLN 18 HE22 GLN 18 169.536 6.253 -11.812 155 H HIS 19 HN HIS 19 169.443 4.368 -4.824 156 HA HIS 19 HA HIS 19 170.803 6.620 -3.877 157 1HB HIS 19 HB2 HIS 19 169.219 4.506 -2.775 158 2HB HIS 19 HB1 HIS 19 170.640 4.728 -1.763 159 HD1 HIS 19 HD1 HIS 19 168.256 7.170 -3.468 160 HD2 HIS 19 HD2 HIS 19 169.994 6.421 0.230 161 HE1 HIS 19 HE1 HIS 19 167.408 8.984 -1.945 162 HE2 HIS 19 HE2 HIS 19 168.360 8.422 0.316 163 H VAL 20 HN VAL 20 171.703 3.199 -3.390 164 HA VAL 20 HA VAL 20 174.197 3.648 -2.252 165 HB VAL 20 HB VAL 20 174.777 1.343 -3.219 166 1HG1 VAL 20 HG11 VAL 20 173.768 0.344 -1.429 167 2HG1 VAL 20 HG12 VAL 20 172.235 1.176 -1.686 168 3HG1 VAL 20 HG13 VAL 20 173.594 2.037 -0.964 169 1HG2 VAL 20 HG21 VAL 20 173.459 0.443 -4.763 170 2HG2 VAL 20 HG22 VAL 20 172.485 1.913 -4.770 171 3HG2 VAL 20 HG23 VAL 20 172.064 0.582 -3.692 172 H ALA 21 HN ALA 21 173.248 3.564 -5.630 173 HA ALA 21 HA ALA 21 175.771 3.370 -6.813 174 1HB ALA 21 HB1 ALA 21 173.688 3.126 -8.064 175 2HB ALA 21 HB2 ALA 21 174.737 4.337 -8.800 176 3HB ALA 21 HB3 ALA 21 173.346 4.841 -7.839 177 H ASP 22 HN ASP 22 173.875 6.303 -6.087 178 HA ASP 22 HA ASP 22 175.840 8.140 -6.888 179 1HB ASP 22 HB2 ASP 22 173.465 8.727 -6.540 180 2HB ASP 22 HB1 ASP 22 173.676 8.510 -4.805 181 H ARG 23 HN ARG 23 175.320 6.444 -3.870 182 HA ARG 23 HA ARG 23 177.133 8.010 -2.325 183 1HB ARG 23 HB2 ARG 23 176.277 5.168 -1.776 184 2HB ARG 23 HB1 ARG 23 176.854 6.355 -0.614 185 1HG ARG 23 HG2 ARG 23 174.477 7.175 -2.123 186 2HG ARG 23 HG1 ARG 23 174.247 5.777 -1.071 187 1HD ARG 23 HD2 ARG 23 173.746 7.576 0.314 188 2HD ARG 23 HD1 ARG 23 175.421 7.204 0.721 189 HE ARG 23 HE ARG 23 176.003 9.274 -0.033 190 1HH1 ARG 23 HH11 ARG 23 172.915 8.433 -1.422 191 2HH1 ARG 23 HH12 ARG 23 172.686 9.980 -2.165 192 1HH2 ARG 23 HH21 ARG 23 175.705 11.309 -1.010 193 2HH2 ARG 23 HH22 ARG 23 174.270 11.613 -1.932 194 H LEU 24 HN LEU 24 177.373 4.773 -3.791 195 HA LEU 24 HA LEU 24 180.052 4.312 -3.086 196 1HB LEU 24 HB2 LEU 24 178.041 2.914 -4.403 197 2HB LEU 24 HB1 LEU 24 179.294 3.094 -5.616 198 HG LEU 24 HG LEU 24 179.450 0.978 -4.330 199 1HD1 LEU 24 HD11 LEU 24 181.931 1.578 -3.518 200 2HD1 LEU 24 HD12 LEU 24 181.608 2.980 -4.537 201 3HD1 LEU 24 HD13 LEU 24 181.494 1.356 -5.213 202 1HD2 LEU 24 HD21 LEU 24 180.403 2.590 -1.994 203 2HD2 LEU 24 HD22 LEU 24 179.903 0.900 -2.055 204 3HD2 LEU 24 HD23 LEU 24 178.696 2.180 -2.172 205 H ALA 25 HN ALA 25 178.604 6.034 -5.761 206 HA ALA 25 HA ALA 25 180.939 6.192 -7.374 207 1HB ALA 25 HB1 ALA 25 179.736 7.833 -8.662 208 2HB ALA 25 HB2 ALA 25 178.569 8.055 -7.357 209 3HB ALA 25 HB3 ALA 25 178.638 6.523 -8.227 210 H LYS 26 HN LYS 26 179.464 8.389 -5.011 211 HA LYS 26 HA LYS 26 181.235 10.531 -5.326 212 1HB LYS 26 HB2 LYS 26 179.011 10.178 -3.880 213 2HB LYS 26 HB1 LYS 26 180.197 9.948 -2.602 214 1HG LYS 26 HG2 LYS 26 181.175 12.138 -3.144 215 2HG LYS 26 HG1 LYS 26 179.930 12.368 -4.372 216 1HD LYS 26 HD2 LYS 26 178.509 11.684 -2.091 217 2HD LYS 26 HD1 LYS 26 179.796 12.734 -1.494 218 1HE LYS 26 HE2 LYS 26 179.138 14.504 -2.925 219 2HE LYS 26 HE1 LYS 26 178.065 13.451 -3.848 220 1HZ LYS 26 HZ1 LYS 26 176.514 14.359 -2.522 221 2HZ LYS 26 HZ2 LYS 26 177.617 14.788 -1.313 222 3HZ LYS 26 HZ3 LYS 26 177.038 13.202 -1.402 223 H LEU 27 HN LEU 27 181.345 7.805 -3.042 224 HA LEU 27 HA LEU 27 183.732 8.566 -1.769 225 1HB LEU 27 HB2 LEU 27 181.920 6.349 -1.708 226 2HB LEU 27 HB1 LEU 27 183.566 5.746 -1.736 227 HG LEU 27 HG LEU 27 183.062 7.933 0.179 228 1HD1 LEU 27 HD11 LEU 27 182.243 5.400 1.330 229 2HD1 LEU 27 HD12 LEU 27 181.140 5.953 0.069 230 3HD1 LEU 27 HD13 LEU 27 181.496 6.993 1.447 231 1HD2 LEU 27 HD21 LEU 27 184.989 5.946 -0.283 232 2HD2 LEU 27 HD22 LEU 27 184.207 5.526 1.241 233 3HD2 LEU 27 HD23 LEU 27 184.939 7.118 1.035 234 H GLU 28 HN GLU 28 183.150 7.135 -4.844 235 HA GLU 28 HA GLU 28 185.620 5.805 -5.196 236 1HB GLU 28 HB2 GLU 28 183.271 6.182 -6.684 237 2HB GLU 28 HB1 GLU 28 184.560 6.857 -7.672 238 1HG GLU 28 HG2 GLU 28 184.103 4.487 -8.151 239 2HG GLU 28 HG1 GLU 28 185.761 4.781 -7.624 240 H LYS 29 HN LYS 29 184.713 9.137 -5.325 241 HA LYS 29 HA LYS 29 187.172 9.871 -6.722 242 1HB LYS 29 HB2 LYS 29 185.022 10.924 -7.387 243 2HB LYS 29 HB1 LYS 29 184.911 11.640 -5.786 244 1HG LYS 29 HG2 LYS 29 186.076 13.377 -6.500 245 2HG LYS 29 HG1 LYS 29 187.450 12.315 -6.803 246 1HD LYS 29 HD2 LYS 29 185.222 12.554 -8.793 247 2HD LYS 29 HD1 LYS 29 186.529 13.740 -8.749 248 1HE LYS 29 HE2 LYS 29 186.721 10.782 -9.263 249 2HE LYS 29 HE1 LYS 29 187.145 12.103 -10.351 250 1HZ LYS 29 HZ1 LYS 29 188.649 10.974 -8.128 251 2HZ LYS 29 HZ2 LYS 29 188.756 12.650 -8.333 252 3HZ LYS 29 HZ3 LYS 29 189.199 11.613 -9.594 253 H TRP 30 HN TRP 30 186.098 9.434 -3.562 254 HA TRP 30 HA TRP 30 187.292 11.536 -2.168 255 1HB TRP 30 HB2 TRP 30 186.318 8.837 -1.545 256 2HB TRP 30 HB1 TRP 30 187.608 9.380 -0.480 257 HD1 TRP 30 HD1 TRP 30 184.080 10.440 -1.629 258 HE1 TRP 30 HE1 TRP 30 183.022 11.867 0.230 259 HE3 TRP 30 HE3 TRP 30 188.088 10.761 1.528 260 HZ2 TRP 30 HZ2 TRP 30 183.783 12.984 2.707 261 HZ3 TRP 30 HZ3 TRP 30 187.839 12.028 3.623 262 HH2 TRP 30 HH2 TRP 30 185.731 13.117 4.196 263 H GLN 31 HN GLN 31 189.133 10.443 -0.404 264 HA GLN 31 HA GLN 31 191.500 10.403 -2.079 265 1HB GLN 31 HB2 GLN 31 191.258 11.754 0.055 266 2HB GLN 31 HB1 GLN 31 191.382 10.232 0.927 267 1HG GLN 31 HG2 GLN 31 193.596 9.928 0.350 268 2HG GLN 31 HG1 GLN 31 193.486 11.000 -1.045 269 1HE2 GLN 31 HE21 GLN 31 195.240 12.232 -0.433 270 2HE2 GLN 31 HE22 GLN 31 195.197 13.315 0.914 271 H THR 32 HN THR 32 189.796 8.076 -2.210 272 HA THR 32 HA THR 32 191.745 6.059 -1.357 273 HB THR 32 HB THR 32 189.898 6.037 0.266 274 HG1 THR 32 HG1 THR 32 190.464 4.016 0.178 275 1HG2 THR 32 HG21 THR 32 188.175 5.556 -2.145 276 2HG2 THR 32 HG22 THR 32 188.034 6.844 -0.948 277 3HG2 THR 32 HG23 THR 32 187.680 5.176 -0.495 278 H HIS 33 HN HIS 33 191.024 3.846 -2.410 279 HA HIS 33 HA HIS 33 190.172 4.377 -5.172 280 1HB HIS 33 HB2 HIS 33 191.966 3.287 -6.103 281 2HB HIS 33 HB1 HIS 33 192.734 3.973 -4.677 282 HD1 HIS 33 HD1 HIS 33 193.428 1.249 -6.352 283 HD2 HIS 33 HD2 HIS 33 191.750 1.587 -2.566 284 HE1 HIS 33 HE1 HIS 33 193.925 -0.931 -5.201 285 HE2 HIS 33 HE2 HIS 33 192.840 -0.731 -2.936 286 H LEU 34 HN LEU 34 189.275 2.912 -2.461 287 HA LEU 34 HA LEU 34 188.631 0.547 -2.126 288 1HB LEU 34 HB2 LEU 34 186.226 1.926 -3.248 289 2HB LEU 34 HB1 LEU 34 186.350 0.889 -1.841 290 HG LEU 34 HG LEU 34 187.830 3.450 -1.699 291 1HD1 LEU 34 HD11 LEU 34 186.143 4.820 -2.057 292 2HD1 LEU 34 HD12 LEU 34 185.162 3.964 -0.866 293 3HD1 LEU 34 HD13 LEU 34 185.146 3.453 -2.553 294 1HD2 LEU 34 HD21 LEU 34 187.118 1.438 0.051 295 2HD2 LEU 34 HD22 LEU 34 186.004 2.748 0.441 296 3HD2 LEU 34 HD23 LEU 34 187.744 3.029 0.485 297 H ILE 35 HN ILE 35 188.825 -1.294 -3.223 298 HA ILE 35 HA ILE 35 187.912 -1.325 -6.026 299 HB ILE 35 HB ILE 35 189.372 -3.622 -5.798 300 1HG1 ILE 35 HG12 ILE 35 191.554 -2.827 -4.762 301 2HG1 ILE 35 HG11 ILE 35 190.629 -1.528 -4.016 302 1HG2 ILE 35 HG21 ILE 35 191.244 -1.916 -6.717 303 2HG2 ILE 35 HG22 ILE 35 189.798 -0.919 -6.877 304 3HG2 ILE 35 HG23 ILE 35 189.878 -2.491 -7.672 305 1HD1 ILE 35 HD11 ILE 35 189.834 -2.870 -2.428 306 2HD1 ILE 35 HD12 ILE 35 191.109 -3.985 -2.925 307 3HD1 ILE 35 HD13 ILE 35 189.479 -4.166 -3.572 308 H ASN 36 HN ASN 36 187.787 -3.196 -3.013 309 HA ASN 36 HA ASN 36 185.718 -4.879 -4.260 310 1HB ASN 36 HB2 ASN 36 187.983 -5.718 -3.037 311 2HB ASN 36 HB1 ASN 36 186.867 -5.731 -1.675 312 1HD2 ASN 36 HD21 ASN 36 188.186 -7.914 -3.173 313 2HD2 ASN 36 HD22 ASN 36 186.905 -8.952 -3.689 314 HA PRO 37 HA PRO 37 183.611 -2.272 -0.978 315 1HB PRO 37 HB2 PRO 37 181.727 -1.156 -2.547 316 2HB PRO 37 HB1 PRO 37 183.344 -0.458 -2.381 317 1HG PRO 37 HG2 PRO 37 182.256 -2.217 -4.552 318 2HG PRO 37 HG1 PRO 37 183.218 -0.733 -4.696 319 1HD PRO 37 HD2 PRO 37 184.319 -3.197 -4.906 320 2HD PRO 37 HD1 PRO 37 185.194 -1.819 -4.211 321 H HIS 38 HN HIS 38 182.306 -3.492 0.205 322 HA HIS 38 HA HIS 38 180.407 -5.283 -1.146 323 1HB HIS 38 HB2 HIS 38 182.133 -5.581 1.147 324 2HB HIS 38 HB1 HIS 38 180.459 -5.874 1.610 325 HD1 HIS 38 HD1 HIS 38 183.321 -7.505 0.127 326 HD2 HIS 38 HD2 HIS 38 179.195 -7.914 -0.121 327 HE1 HIS 38 HE1 HIS 38 182.930 -9.793 -0.841 328 HE2 HIS 38 HE2 HIS 38 180.424 -10.054 -0.892 329 H ILE 39 HN ILE 39 178.239 -5.189 -0.742 330 HA ILE 39 HA ILE 39 177.289 -3.213 1.213 331 HB ILE 39 HB ILE 39 176.178 -3.464 -1.584 332 1HG1 ILE 39 HG12 ILE 39 178.439 -2.426 -1.518 333 2HG1 ILE 39 HG11 ILE 39 177.184 -1.309 -2.044 334 1HG2 ILE 39 HG21 ILE 39 174.896 -1.455 -0.980 335 2HG2 ILE 39 HG22 ILE 39 175.548 -1.546 0.656 336 3HG2 ILE 39 HG23 ILE 39 174.502 -2.832 0.050 337 1HD1 ILE 39 HD11 ILE 39 178.997 -1.119 0.177 338 2HD1 ILE 39 HD12 ILE 39 177.322 -0.980 0.710 339 3HD1 ILE 39 HD13 ILE 39 177.945 0.108 -0.529 340 H ILE 40 HN ILE 40 176.118 -4.317 2.630 341 HA ILE 40 HA ILE 40 174.381 -6.485 1.644 342 HB ILE 40 HB ILE 40 175.565 -6.154 4.405 343 1HG1 ILE 40 HG12 ILE 40 176.241 -8.562 2.898 344 2HG1 ILE 40 HG11 ILE 40 176.791 -7.092 2.097 345 1HG2 ILE 40 HG21 ILE 40 173.634 -8.117 3.235 346 2HG2 ILE 40 HG22 ILE 40 173.570 -7.267 4.779 347 3HG2 ILE 40 HG23 ILE 40 174.705 -8.596 4.551 348 1HD1 ILE 40 HD11 ILE 40 178.319 -6.633 3.697 349 2HD1 ILE 40 HD12 ILE 40 178.248 -8.384 3.895 350 3HD1 ILE 40 HD13 ILE 40 177.345 -7.336 4.989 351 H LEU 41 HN LEU 41 172.475 -5.436 1.307 352 HA LEU 41 HA LEU 41 171.383 -3.831 3.513 353 1HB LEU 41 HB2 LEU 41 171.434 -2.622 1.443 354 2HB LEU 41 HB1 LEU 41 170.668 -3.948 0.588 355 HG LEU 41 HG LEU 41 169.063 -2.935 2.814 356 1HD1 LEU 41 HD11 LEU 41 168.445 -0.843 1.843 357 2HD1 LEU 41 HD12 LEU 41 169.489 -1.120 0.449 358 3HD1 LEU 41 HD13 LEU 41 170.197 -0.851 2.042 359 1HD2 LEU 41 HD21 LEU 41 168.623 -4.432 0.604 360 2HD2 LEU 41 HD22 LEU 41 168.072 -2.850 0.048 361 3HD2 LEU 41 HD23 LEU 41 167.361 -3.575 1.491 362 H SER 42 HN SER 42 170.406 -5.239 4.866 363 HA SER 42 HA SER 42 168.469 -7.116 3.688 364 1HB SER 42 HB2 SER 42 169.927 -7.263 6.337 365 2HB SER 42 HB1 SER 42 168.687 -8.401 5.809 366 HG SER 42 HG SER 42 171.144 -7.888 4.477 367 H LYS 43 HN LYS 43 166.497 -7.490 4.906 368 HA LYS 43 HA LYS 43 165.544 -5.015 6.157 369 1HB LYS 43 HB2 LYS 43 164.454 -6.349 4.094 370 2HB LYS 43 HB1 LYS 43 163.640 -7.170 5.418 371 1HG LYS 43 HG2 LYS 43 163.627 -4.285 5.721 372 2HG LYS 43 HG1 LYS 43 162.867 -4.818 4.220 373 1HD LYS 43 HD2 LYS 43 162.186 -6.201 6.778 374 2HD LYS 43 HD1 LYS 43 161.467 -4.627 6.430 375 1HE LYS 43 HE2 LYS 43 160.084 -6.576 5.707 376 2HE LYS 43 HE1 LYS 43 160.479 -5.442 4.417 377 1HZ LYS 43 HZ1 LYS 43 162.220 -6.925 3.673 378 2HZ LYS 43 HZ2 LYS 43 160.746 -7.753 3.725 379 3HZ LYS 43 HZ3 LYS 43 161.896 -8.000 4.939 380 H GLU 44 HN GLU 44 165.366 -4.991 8.297 381 HA GLU 44 HA GLU 44 165.024 -7.553 9.699 382 1HB GLU 44 HB2 GLU 44 166.769 -5.340 10.146 383 2HB GLU 44 HB1 GLU 44 165.686 -5.471 11.523 384 1HG GLU 44 HG2 GLU 44 167.850 -6.726 11.710 385 2HG GLU 44 HG1 GLU 44 166.390 -7.670 11.998 386 HA PRO 45 HA PRO 45 160.859 -6.794 10.904 387 1HB PRO 45 HB2 PRO 45 161.974 -7.364 13.629 388 2HB PRO 45 HB1 PRO 45 160.490 -7.967 12.876 389 1HG PRO 45 HG2 PRO 45 162.651 -9.502 12.971 390 2HG PRO 45 HG1 PRO 45 161.634 -9.470 11.518 391 1HD PRO 45 HD2 PRO 45 164.319 -8.282 11.972 392 2HD PRO 45 HD1 PRO 45 163.587 -8.883 10.472 393 H GLN 46 HN GLN 46 163.364 -5.450 13.055 394 HA GLN 46 HA GLN 46 161.568 -3.225 13.673 395 1HB GLN 46 HB2 GLN 46 162.897 -4.652 15.413 396 2HB GLN 46 HB1 GLN 46 164.235 -3.599 14.973 397 1HG GLN 46 HG2 GLN 46 162.978 -2.863 16.977 398 2HG GLN 46 HG1 GLN 46 163.048 -1.662 15.689 399 1HE2 GLN 46 HE21 GLN 46 160.974 -4.505 15.908 400 2HE2 GLN 46 HE22 GLN 46 159.481 -3.636 15.951 401 H GLY 47 HN GLY 47 163.150 -3.527 11.098 402 1HA GLY 47 HA2 GLY 47 163.548 -1.120 10.209 403 2HA GLY 47 HA1 GLY 47 164.878 -1.159 11.349 404 H PHE 48 HN PHE 48 165.508 -0.581 8.869 405 HA PHE 48 HA PHE 48 166.206 -2.906 7.305 406 1HB PHE 48 HB2 PHE 48 166.129 -0.020 6.935 407 2HB PHE 48 HB1 PHE 48 167.620 -0.710 6.308 408 HD1 PHE 48 HD1 PHE 48 167.300 -0.443 4.014 409 HD2 PHE 48 HD2 PHE 48 164.284 -2.333 6.345 410 HE1 PHE 48 HE1 PHE 48 166.120 -1.098 1.961 411 HE2 PHE 48 HE2 PHE 48 163.102 -2.970 4.285 412 HZ PHE 48 HZ PHE 48 164.021 -2.362 2.093 413 H VAL 49 HN VAL 49 168.244 -3.757 7.014 414 HA VAL 49 HA VAL 49 170.290 -2.871 8.938 415 HB VAL 49 HB VAL 49 170.043 -5.586 7.637 416 1HG1 VAL 49 HG11 VAL 49 172.221 -5.601 8.243 417 2HG1 VAL 49 HG12 VAL 49 171.543 -5.974 9.828 418 3HG1 VAL 49 HG13 VAL 49 172.013 -4.319 9.436 419 1HG2 VAL 49 HG21 VAL 49 169.573 -6.003 10.271 420 2HG2 VAL 49 HG22 VAL 49 168.311 -5.811 9.053 421 3HG2 VAL 49 HG23 VAL 49 168.803 -4.434 10.039 422 H ALA 50 HN ALA 50 171.460 -1.415 7.752 423 HA ALA 50 HA ALA 50 172.386 -2.182 5.086 424 1HB ALA 50 HB1 ALA 50 172.973 0.436 6.424 425 2HB ALA 50 HB2 ALA 50 171.409 0.119 5.674 426 3HB ALA 50 HB3 ALA 50 172.880 0.065 4.703 427 H ASP 51 HN ASP 51 173.964 -3.705 5.491 428 HA ASP 51 HA ASP 51 176.237 -2.868 7.155 429 1HB ASP 51 HB2 ASP 51 174.845 -5.266 7.089 430 2HB ASP 51 HB1 ASP 51 176.309 -5.617 6.178 431 H ALA 52 HN ALA 52 177.319 -1.563 5.692 432 HA ALA 52 HA ALA 52 178.184 -2.790 3.169 433 1HB ALA 52 HB1 ALA 52 178.471 -0.680 2.297 434 2HB ALA 52 HB2 ALA 52 178.737 0.053 3.877 435 3HB ALA 52 HB3 ALA 52 177.111 -0.427 3.392 436 H THR 53 HN THR 53 180.380 -2.834 2.574 437 HA THR 53 HA THR 53 182.373 -2.112 4.567 438 HB THR 53 HB THR 53 182.770 -4.816 3.452 439 HG1 THR 53 HG1 THR 53 181.354 -5.760 4.935 440 1HG2 THR 53 HG21 THR 53 184.054 -5.128 5.245 441 2HG2 THR 53 HG22 THR 53 182.862 -4.430 6.341 442 3HG2 THR 53 HG23 THR 53 183.950 -3.378 5.436 443 H ILE 54 HN ILE 54 183.417 -0.697 3.274 444 HA ILE 54 HA ILE 54 184.038 -1.397 0.523 445 HB ILE 54 HB ILE 54 185.321 0.884 0.716 446 1HG1 ILE 54 HG12 ILE 54 184.667 0.782 3.295 447 2HG1 ILE 54 HG11 ILE 54 184.807 2.304 2.426 448 1HG2 ILE 54 HG21 ILE 54 183.013 2.026 0.335 449 2HG2 ILE 54 HG22 ILE 54 182.401 0.373 0.403 450 3HG2 ILE 54 HG23 ILE 54 183.604 0.820 -0.809 451 1HD1 ILE 54 HD11 ILE 54 182.537 2.654 2.403 452 2HD1 ILE 54 HD12 ILE 54 182.762 1.855 3.957 453 3HD1 ILE 54 HD13 ILE 54 182.157 0.942 2.577 454 H ASN 55 HN ASN 55 185.905 -2.184 -0.188 455 HA ASN 55 HA ASN 55 187.997 -2.762 1.729 456 1HB ASN 55 HB2 ASN 55 187.046 -4.206 -0.322 457 2HB ASN 55 HB1 ASN 55 188.371 -3.395 -1.149 458 1HD2 ASN 55 HD21 ASN 55 190.503 -3.534 -0.086 459 2HD2 ASN 55 HD22 ASN 55 190.915 -5.012 0.710 460 H THR 56 HN THR 56 188.914 -0.787 2.201 461 HA THR 56 HA THR 56 190.050 0.802 0.035 462 HB THR 56 HB THR 56 189.993 2.573 1.448 463 HG1 THR 56 HG1 THR 56 190.733 0.830 3.555 464 1HG2 THR 56 HG21 THR 56 188.467 1.122 3.515 465 2HG2 THR 56 HG22 THR 56 187.806 1.131 1.880 466 3HG2 THR 56 HG23 THR 56 188.128 2.653 2.711 467 HA PRO 57 HA PRO 57 194.225 -0.512 0.579 468 1HB PRO 57 HB2 PRO 57 195.695 1.758 0.787 469 2HB PRO 57 HB1 PRO 57 194.949 1.230 -0.724 470 1HG PRO 57 HG2 PRO 57 194.012 3.289 1.230 471 2HG PRO 57 HG1 PRO 57 194.003 3.338 -0.541 472 1HD PRO 57 HD2 PRO 57 191.799 2.766 0.938 473 2HD PRO 57 HD1 PRO 57 192.064 2.110 -0.688 474 H ASN 58 HN ASN 58 193.048 1.735 2.992 475 HA ASN 58 HA ASN 58 195.129 0.947 4.879 476 1HB ASN 58 HB2 ASN 58 192.912 2.993 5.018 477 2HB ASN 58 HB1 ASN 58 193.950 2.608 6.388 478 1HD2 ASN 58 HD21 ASN 58 193.864 3.911 3.142 479 2HD2 ASN 58 HD22 ASN 58 195.344 4.795 3.252 480 H GLY 59 HN GLY 59 192.677 -0.698 3.852 481 1HA GLY 59 HA2 GLY 59 192.236 -2.629 5.454 482 2HA GLY 59 HA1 GLY 59 191.594 -1.379 6.510 483 H VAL 60 HN VAL 60 189.457 -1.440 6.547 484 HA VAL 60 HA VAL 60 187.971 -1.382 4.056 485 HB VAL 60 HB VAL 60 187.205 -3.462 6.097 486 1HG1 VAL 60 HG11 VAL 60 185.564 -2.490 4.395 487 2HG1 VAL 60 HG12 VAL 60 185.696 -4.246 4.492 488 3HG1 VAL 60 HG13 VAL 60 186.494 -3.372 3.183 489 1HG2 VAL 60 HG21 VAL 60 188.147 -5.143 4.514 490 2HG2 VAL 60 HG22 VAL 60 189.365 -4.148 5.312 491 3HG2 VAL 60 HG23 VAL 60 188.916 -3.818 3.639 492 H LEU 61 HN LEU 61 186.527 0.199 4.278 493 HA LEU 61 HA LEU 61 185.790 1.146 6.910 494 1HB LEU 61 HB2 LEU 61 185.768 2.175 4.198 495 2HB LEU 61 HB1 LEU 61 184.262 2.521 5.025 496 HG LEU 61 HG LEU 61 185.894 4.351 5.225 497 1HD1 LEU 61 HD11 LEU 61 185.979 3.982 7.946 498 2HD1 LEU 61 HD12 LEU 61 184.618 2.975 7.450 499 3HD1 LEU 61 HD13 LEU 61 184.644 4.690 7.038 500 1HD2 LEU 61 HD21 LEU 61 187.953 4.130 6.312 501 2HD2 LEU 61 HD22 LEU 61 187.866 2.728 5.245 502 3HD2 LEU 61 HD23 LEU 61 187.538 2.545 6.968 503 H VAL 62 HN VAL 62 184.166 0.297 8.017 504 HA VAL 62 HA VAL 62 182.082 -1.192 6.626 505 HB VAL 62 HB VAL 62 182.558 -0.908 9.595 506 1HG1 VAL 62 HG11 VAL 62 180.525 -1.808 9.769 507 2HG1 VAL 62 HG12 VAL 62 181.214 -3.281 9.085 508 3HG1 VAL 62 HG13 VAL 62 180.428 -2.104 8.034 509 1HG2 VAL 62 HG21 VAL 62 184.421 -2.075 8.944 510 2HG2 VAL 62 HG22 VAL 62 183.620 -2.786 7.542 511 3HG2 VAL 62 HG23 VAL 62 183.277 -3.400 9.160 512 H ALA 63 HN ALA 63 180.382 -0.075 5.948 513 HA ALA 63 HA ALA 63 179.502 2.294 7.404 514 1HB ALA 63 HB1 ALA 63 177.951 1.559 5.052 515 2HB ALA 63 HB2 ALA 63 179.674 1.715 4.722 516 3HB ALA 63 HB3 ALA 63 178.790 3.064 5.434 517 H SER 64 HN SER 64 178.344 1.680 9.167 518 HA SER 64 HA SER 64 176.245 -0.339 8.834 519 1HB SER 64 HB2 SER 64 176.759 0.839 11.507 520 2HB SER 64 HB1 SER 64 176.466 -0.838 11.047 521 HG SER 64 HG SER 64 178.643 -0.778 10.138 522 H GLY 65 HN GLY 65 174.386 0.501 8.144 523 1HA GLY 65 HA2 GLY 65 173.367 2.888 9.549 524 2HA GLY 65 HA1 GLY 65 173.224 2.732 7.805 525 H LYS 66 HN LYS 66 171.873 1.949 10.843 526 HA LYS 66 HA LYS 66 169.876 0.209 9.560 527 1HB LYS 66 HB2 LYS 66 169.525 0.139 12.367 528 2HB LYS 66 HB1 LYS 66 170.112 -1.145 11.320 529 1HG LYS 66 HG2 LYS 66 171.793 -0.983 12.876 530 2HG LYS 66 HG1 LYS 66 172.408 0.042 11.580 531 1HD LYS 66 HD2 LYS 66 171.478 2.013 12.771 532 2HD LYS 66 HD1 LYS 66 171.010 0.947 14.097 533 1HE LYS 66 HE2 LYS 66 173.044 1.774 14.826 534 2HE LYS 66 HE1 LYS 66 173.508 0.247 14.080 535 1HZ LYS 66 HZ1 LYS 66 174.078 1.492 12.058 536 2HZ LYS 66 HZ2 LYS 66 174.998 1.983 13.390 537 3HZ LYS 66 HZ3 LYS 66 173.714 2.942 12.848 538 H HIS 67 HN HIS 67 167.726 0.722 9.628 539 HA HIS 67 HA HIS 67 166.583 2.631 11.367 540 1HB HIS 67 HB2 HIS 67 168.047 3.805 9.298 541 2HB HIS 67 HB1 HIS 67 166.372 3.919 8.772 542 HD1 HIS 67 HD1 HIS 67 168.075 4.480 12.142 543 HD2 HIS 67 HD2 HIS 67 165.429 6.328 9.523 544 HE1 HIS 67 HE1 HIS 67 167.420 6.636 13.259 545 HE2 HIS 67 HE2 HIS 67 165.747 7.691 11.697 546 H GLU 68 HN GLU 68 164.342 2.921 11.048 547 HA GLU 68 HA GLU 68 162.975 0.720 10.018 548 1HB GLU 68 HB2 GLU 68 161.794 3.464 10.444 549 2HB GLU 68 HB1 GLU 68 160.952 1.923 10.494 550 1HG GLU 68 HG2 GLU 68 162.897 1.604 12.398 551 2HG GLU 68 HG1 GLU 68 162.460 3.304 12.564 552 H ASP 69 HN ASP 69 163.960 3.682 8.483 553 HA ASP 69 HA ASP 69 162.350 3.037 6.117 554 1HB ASP 69 HB2 ASP 69 163.258 5.492 7.352 555 2HB ASP 69 HB1 ASP 69 163.708 5.437 5.652 556 H MET 70 HN MET 70 163.242 2.606 4.156 557 HA MET 70 HA MET 70 165.733 1.365 4.033 558 1HB MET 70 HB2 MET 70 164.427 0.634 2.325 559 2HB MET 70 HB1 MET 70 163.632 2.181 2.129 560 1HG MET 70 HG2 MET 70 166.390 2.282 1.254 561 2HG MET 70 HG1 MET 70 165.482 1.018 0.433 562 1HE MET 70 HE1 MET 70 165.280 2.399 -2.245 563 2HE MET 70 HE2 MET 70 163.530 2.572 -2.102 564 3HE MET 70 HE3 MET 70 164.343 1.192 -1.361 565 H TYR 71 HN TYR 71 164.858 4.404 2.389 566 HA TYR 71 HA TYR 71 167.394 5.182 1.639 567 1HB TYR 71 HB2 TYR 71 164.866 6.662 2.187 568 2HB TYR 71 HB1 TYR 71 166.341 7.600 1.994 569 HD1 TYR 71 HD1 TYR 71 164.251 8.168 0.170 570 HD2 TYR 71 HD2 TYR 71 167.103 5.016 -0.039 571 HE1 TYR 71 HE1 TYR 71 163.982 8.087 -2.272 572 HE2 TYR 71 HE2 TYR 71 166.845 4.931 -2.476 573 HH TYR 71 HH TYR 71 165.752 7.172 -4.291 574 H THR 72 HN THR 72 165.728 6.025 4.684 575 HA THR 72 HA THR 72 167.728 7.628 5.769 576 HB THR 72 HB THR 72 166.822 6.891 8.005 577 HG1 THR 72 HG1 THR 72 165.694 4.981 6.397 578 1HG2 THR 72 HG21 THR 72 164.527 7.754 7.661 579 2HG2 THR 72 HG22 THR 72 164.836 7.763 5.925 580 3HG2 THR 72 HG23 THR 72 165.790 8.786 6.996 581 H ALA 73 HN ALA 73 167.539 4.177 5.422 582 HA ALA 73 HA ALA 73 169.549 3.478 7.296 583 1HB ALA 73 HB1 ALA 73 168.920 1.870 4.844 584 2HB ALA 73 HB2 ALA 73 167.784 1.975 6.189 585 3HB ALA 73 HB3 ALA 73 169.397 1.310 6.446 586 H ILE 74 HN ILE 74 169.633 3.843 3.748 587 HA ILE 74 HA ILE 74 172.468 3.493 3.622 588 HB ILE 74 HB ILE 74 171.987 4.757 1.284 589 1HG1 ILE 74 HG12 ILE 74 169.496 4.873 2.117 590 2HG1 ILE 74 HG11 ILE 74 169.855 4.490 0.440 591 1HG2 ILE 74 HG21 ILE 74 171.804 1.911 2.124 592 2HG2 ILE 74 HG22 ILE 74 173.010 2.725 1.126 593 3HG2 ILE 74 HG23 ILE 74 171.426 2.339 0.454 594 1HD1 ILE 74 HD11 ILE 74 168.089 3.094 1.585 595 2HD1 ILE 74 HD12 ILE 74 169.406 2.358 2.500 596 3HD1 ILE 74 HD13 ILE 74 169.366 2.219 0.743 597 H ASN 75 HN ASN 75 170.359 6.201 4.115 598 HA ASN 75 HA ASN 75 172.141 8.272 3.394 599 1HB ASN 75 HB2 ASN 75 169.593 8.042 4.850 600 2HB ASN 75 HB1 ASN 75 170.602 9.391 5.362 601 1HD2 ASN 75 HD21 ASN 75 170.327 7.961 2.153 602 2HD2 ASN 75 HD22 ASN 75 169.712 9.377 1.379 603 H GLU 76 HN GLU 76 171.168 7.323 6.692 604 HA GLU 76 HA GLU 76 173.250 8.634 8.011 605 1HB GLU 76 HB2 GLU 76 171.232 6.612 8.686 606 2HB GLU 76 HB1 GLU 76 172.698 6.493 9.649 607 1HG GLU 76 HG2 GLU 76 171.079 7.879 10.769 608 2HG GLU 76 HG1 GLU 76 172.463 8.852 10.274 609 H LEU 77 HN LEU 77 173.148 5.566 6.374 610 HA LEU 77 HA LEU 77 175.331 4.263 7.495 611 1HB LEU 77 HB2 LEU 77 173.929 3.066 6.009 612 2HB LEU 77 HB1 LEU 77 174.159 4.236 4.726 613 HG LEU 77 HG LEU 77 176.575 2.800 5.668 614 1HD1 LEU 77 HD11 LEU 77 174.833 1.404 3.697 615 2HD1 LEU 77 HD12 LEU 77 174.537 1.177 5.421 616 3HD1 LEU 77 HD13 LEU 77 176.106 0.760 4.734 617 1HD2 LEU 77 HD21 LEU 77 176.535 2.720 2.960 618 2HD2 LEU 77 HD22 LEU 77 177.215 4.041 3.908 619 3HD2 LEU 77 HD23 LEU 77 175.577 4.167 3.269 620 H ILE 78 HN ILE 78 175.386 6.042 4.397 621 HA ILE 78 HA ILE 78 178.152 6.105 4.131 622 HB ILE 78 HB ILE 78 176.444 6.679 2.361 623 1HG1 ILE 78 HG12 ILE 78 177.950 8.440 1.313 624 2HG1 ILE 78 HG11 ILE 78 178.875 8.409 2.810 625 1HG2 ILE 78 HG21 ILE 78 175.120 8.297 3.556 626 2HG2 ILE 78 HG22 ILE 78 175.839 9.064 2.141 627 3HG2 ILE 78 HG23 ILE 78 176.516 9.357 3.742 628 1HD1 ILE 78 HD11 ILE 78 178.375 5.802 1.529 629 2HD1 ILE 78 HD12 ILE 78 179.813 6.416 2.345 630 3HD1 ILE 78 HD13 ILE 78 179.462 6.905 0.688 631 H ASN 79 HN ASN 79 176.016 8.237 5.922 632 HA ASN 79 HA ASN 79 177.671 10.419 6.341 633 1HB ASN 79 HB2 ASN 79 175.700 9.150 8.254 634 2HB ASN 79 HB1 ASN 79 176.407 10.748 8.464 635 1HD2 ASN 79 HD21 ASN 79 173.765 10.636 8.425 636 2HD2 ASN 79 HD22 ASN 79 173.125 11.234 6.937 637 H LYS 80 HN LYS 80 177.186 7.897 8.816 638 HA LYS 80 HA LYS 80 179.452 8.530 10.313 639 1HB LYS 80 HB2 LYS 80 177.912 5.948 10.049 640 2HB LYS 80 HB1 LYS 80 179.212 6.171 11.211 641 1HG LYS 80 HG2 LYS 80 177.197 8.277 11.306 642 2HG LYS 80 HG1 LYS 80 176.561 6.670 11.660 643 1HD LYS 80 HD2 LYS 80 177.417 6.780 13.709 644 2HD LYS 80 HD1 LYS 80 179.036 6.947 13.028 645 1HE LYS 80 HE2 LYS 80 177.592 9.434 12.842 646 2HE LYS 80 HE1 LYS 80 177.601 8.844 14.502 647 1HZ LYS 80 HZ1 LYS 80 180.086 8.515 14.131 648 2HZ LYS 80 HZ2 LYS 80 179.532 10.103 14.321 649 3HZ LYS 80 HZ3 LYS 80 179.903 9.515 12.777 650 H LEU 81 HN LEU 81 179.067 6.558 7.472 651 HA LEU 81 HA LEU 81 181.442 5.079 7.556 652 1HB LEU 81 HB2 LEU 81 179.394 4.990 5.940 653 2HB LEU 81 HB1 LEU 81 180.314 6.141 4.991 654 HG LEU 81 HG LEU 81 181.093 3.310 5.680 655 1HD1 LEU 81 HD11 LEU 81 180.694 2.796 3.489 656 2HD1 LEU 81 HD12 LEU 81 180.994 4.442 2.932 657 3HD1 LEU 81 HD13 LEU 81 179.474 4.045 3.734 658 1HD2 LEU 81 HD21 LEU 81 183.143 4.378 5.813 659 2HD2 LEU 81 HD22 LEU 81 182.711 5.582 4.598 660 3HD2 LEU 81 HD23 LEU 81 183.060 3.922 4.112 661 H GLU 82 HN GLU 82 180.761 8.192 5.959 662 HA GLU 82 HA GLU 82 183.326 8.661 4.970 663 1HB GLU 82 HB2 GLU 82 180.878 10.180 5.327 664 2HB GLU 82 HB1 GLU 82 182.299 11.181 5.591 665 1HG GLU 82 HG2 GLU 82 183.053 10.917 3.428 666 2HG GLU 82 HG1 GLU 82 182.143 9.428 3.182 667 H ARG 83 HN ARG 83 181.873 9.720 8.049 668 HA ARG 83 HA ARG 83 183.978 11.205 9.045 669 1HB ARG 83 HB2 ARG 83 181.591 10.580 10.028 670 2HB ARG 83 HB1 ARG 83 182.537 9.405 10.931 671 1HG ARG 83 HG2 ARG 83 184.028 11.572 11.378 672 2HG ARG 83 HG1 ARG 83 182.468 12.351 11.135 673 1HD ARG 83 HD2 ARG 83 183.149 11.653 13.525 674 2HD ARG 83 HD1 ARG 83 181.511 11.310 12.973 675 HE ARG 83 HE ARG 83 181.955 9.114 13.330 676 1HH1 ARG 83 HH11 ARG 83 184.994 10.713 12.705 677 2HH1 ARG 83 HH12 ARG 83 185.936 9.280 12.931 678 1HH2 ARG 83 HH21 ARG 83 183.196 7.236 13.644 679 2HH2 ARG 83 HH22 ARG 83 184.918 7.308 13.468 680 H GLN 84 HN GLN 84 183.406 7.724 9.537 681 HA GLN 84 HA GLN 84 185.793 7.222 10.948 682 1HB GLN 84 HB2 GLN 84 183.758 5.726 10.798 683 2HB GLN 84 HB1 GLN 84 184.306 5.263 9.195 684 1HG GLN 84 HG2 GLN 84 186.540 4.795 10.634 685 2HG GLN 84 HG1 GLN 84 185.296 4.465 11.839 686 1HE2 GLN 84 HE21 GLN 84 183.326 3.539 9.975 687 2HE2 GLN 84 HE22 GLN 84 183.844 1.993 9.408 688 H LEU 85 HN LEU 85 184.984 7.185 7.529 689 HA LEU 85 HA LEU 85 187.307 6.025 6.502 690 1HB LEU 85 HB2 LEU 85 185.524 6.264 5.011 691 2HB LEU 85 HB1 LEU 85 185.268 7.942 5.433 692 HG LEU 85 HG LEU 85 187.774 8.008 4.298 693 1HD1 LEU 85 HD11 LEU 85 186.889 6.754 2.042 694 2HD1 LEU 85 HD12 LEU 85 186.355 5.652 3.312 695 3HD1 LEU 85 HD13 LEU 85 188.059 6.091 3.184 696 1HD2 LEU 85 HD21 LEU 85 185.009 8.582 3.346 697 2HD2 LEU 85 HD22 LEU 85 186.358 8.739 2.221 698 3HD2 LEU 85 HD23 LEU 85 186.331 9.692 3.704 699 H ASN 86 HN ASN 86 186.527 9.488 6.855 700 HA ASN 86 HA ASN 86 188.951 10.539 6.024 701 1HB ASN 86 HB2 ASN 86 187.325 11.737 8.263 702 2HB ASN 86 HB1 ASN 86 188.307 12.574 7.065 703 1HD2 ASN 86 HD21 ASN 86 185.929 13.564 7.291 704 2HD2 ASN 86 HD22 ASN 86 184.873 13.076 6.016 705 H LYS 87 HN LYS 87 188.023 9.306 9.193 706 HA LYS 87 HA LYS 87 190.172 10.231 10.696 707 1HB LYS 87 HB2 LYS 87 188.301 9.233 11.801 708 2HB LYS 87 HB1 LYS 87 188.529 7.713 10.951 709 1HG LYS 87 HG2 LYS 87 189.252 7.810 13.383 710 2HG LYS 87 HG1 LYS 87 190.408 7.147 12.227 711 1HD LYS 87 HD2 LYS 87 191.469 9.420 12.126 712 2HD LYS 87 HD1 LYS 87 190.414 9.901 13.456 713 1HE LYS 87 HE2 LYS 87 192.534 7.762 13.470 714 2HE LYS 87 HE1 LYS 87 192.529 9.274 14.377 715 1HZ LYS 87 HZ1 LYS 87 190.535 8.443 15.556 716 2HZ LYS 87 HZ2 LYS 87 191.915 7.503 15.831 717 3HZ LYS 87 HZ3 LYS 87 190.719 6.954 14.770 718 H LEU 88 HN LEU 88 189.874 6.904 9.418 719 HA LEU 88 HA LEU 88 192.648 6.388 9.816 720 1HB LEU 88 HB2 LEU 88 192.232 4.257 8.747 721 2HB LEU 88 HB1 LEU 88 190.974 4.613 9.914 722 HG LEU 88 HG LEU 88 189.652 5.489 7.849 723 1HD1 LEU 88 HD11 LEU 88 190.921 5.427 5.992 724 2HD1 LEU 88 HD12 LEU 88 190.435 3.731 5.957 725 3HD1 LEU 88 HD13 LEU 88 191.996 4.187 6.640 726 1HD2 LEU 88 HD21 LEU 88 189.899 2.952 9.136 727 2HD2 LEU 88 HD22 LEU 88 189.541 2.701 7.429 728 3HD2 LEU 88 HD23 LEU 88 188.473 3.698 8.415 729 H GLN 89 HN GLN 89 191.133 8.203 7.475 730 HA GLN 89 HA GLN 89 192.882 7.430 5.289 731 1HB GLN 89 HB2 GLN 89 190.498 9.141 5.605 732 2HB GLN 89 HB1 GLN 89 191.666 9.691 4.414 733 1HG GLN 89 HG2 GLN 89 191.257 6.893 4.076 734 2HG GLN 89 HG1 GLN 89 189.691 7.700 4.141 735 1HE2 GLN 89 HE21 GLN 89 188.955 8.437 2.291 736 2HE2 GLN 89 HE22 GLN 89 189.899 8.853 0.907 737 H HIS 90 HN HIS 90 192.630 9.903 7.729 738 HA HIS 90 HA HIS 90 194.285 11.868 6.662 739 1HB HIS 90 HB2 HIS 90 192.948 12.173 8.703 740 2HB HIS 90 HB1 HIS 90 193.994 11.047 9.561 741 HD1 HIS 90 HD1 HIS 90 195.444 13.627 7.264 742 HD2 HIS 90 HD2 HIS 90 194.883 13.008 11.335 743 HE1 HIS 90 HE1 HIS 90 196.829 15.386 8.408 744 HE2 HIS 90 HE2 HIS 90 196.551 14.930 10.871 745 H LYS 91 HN LYS 91 196.274 11.635 5.903 746 HA LYS 91 HA LYS 91 198.495 11.155 5.790 747 1HB LYS 91 HB2 LYS 91 198.400 11.774 8.254 748 2HB LYS 91 HB1 LYS 91 198.303 10.051 8.591 749 1HG LYS 91 HG2 LYS 91 200.477 9.689 8.098 750 2HG LYS 91 HG1 LYS 91 200.508 10.921 6.833 751 1HD LYS 91 HD2 LYS 91 201.908 11.573 8.723 752 2HD LYS 91 HD1 LYS 91 200.540 12.674 8.542 753 1HE LYS 91 HE2 LYS 91 199.639 12.081 10.516 754 2HE LYS 91 HE1 LYS 91 200.050 10.379 10.305 755 1HZ LYS 91 HZ1 LYS 91 202.460 11.597 10.665 756 2HZ LYS 91 HZ2 LYS 91 201.598 10.739 11.841 757 3HZ LYS 91 HZ3 LYS 91 201.447 12.420 11.742 758 H GLY 92 HN GLY 92 198.241 9.582 4.216 759 1HA GLY 92 HA2 GLY 92 198.732 6.859 5.150 760 2HA GLY 92 HA1 GLY 92 197.331 7.117 4.120 761 H GLU 93 HN GLU 93 198.675 5.468 2.885 762 HA GLU 93 HA GLU 93 199.773 6.743 0.622 763 1HB GLU 93 HB2 GLU 93 202.081 5.479 0.968 764 2HB GLU 93 HB1 GLU 93 201.824 7.114 1.559 765 1HG GLU 93 HG2 GLU 93 201.221 6.122 3.777 766 2HG GLU 93 HG1 GLU 93 201.738 4.562 3.148 767 H ALA 94 HN ALA 94 201.339 3.768 1.498 768 HA ALA 94 HA ALA 94 201.130 1.638 0.745 769 1HB ALA 94 HB1 ALA 94 199.201 1.072 1.752 770 2HB ALA 94 HB2 ALA 94 198.548 1.129 0.116 771 3HB ALA 94 HB3 ALA 94 198.361 2.516 1.188 772 H ARG 95 HN ARG 95 201.426 0.605 -1.165 773 HA ARG 95 HA ARG 95 200.671 2.085 -3.598 774 1HB ARG 95 HB2 ARG 95 203.160 1.689 -2.965 775 2HB ARG 95 HB1 ARG 95 202.865 0.039 -3.497 776 1HG ARG 95 HG2 ARG 95 201.912 1.985 -5.421 777 2HG ARG 95 HG1 ARG 95 203.631 2.177 -5.074 778 1HD ARG 95 HD2 ARG 95 202.193 -0.243 -6.130 779 2HD ARG 95 HD1 ARG 95 203.506 0.664 -6.879 780 HE ARG 95 HE ARG 95 203.754 -1.479 -5.029 781 1HH1 ARG 95 HH11 ARG 95 205.239 1.523 -6.007 782 2HH1 ARG 95 HH12 ARG 95 206.815 1.070 -5.450 783 1HH2 ARG 95 HH21 ARG 95 205.824 -2.078 -4.297 784 2HH2 ARG 95 HH22 ARG 95 207.148 -0.976 -4.480 785 H ARG 96 HN ARG 96 198.895 1.191 -4.429 786 HA ARG 96 HA ARG 96 198.466 -1.682 -4.229 787 1HB ARG 96 HB2 ARG 96 196.676 0.459 -5.385 788 2HB ARG 96 HB1 ARG 96 196.227 -1.211 -5.081 789 1HG ARG 96 HG2 ARG 96 195.323 -0.101 -3.271 790 2HG ARG 96 HG1 ARG 96 196.849 -0.708 -2.633 791 1HD ARG 96 HD2 ARG 96 196.321 1.657 -2.021 792 2HD ARG 96 HD1 ARG 96 197.872 1.435 -2.820 793 HE ARG 96 HE ARG 96 196.379 2.085 -4.896 794 1HH1 ARG 96 HH11 ARG 96 196.408 3.496 -1.700 795 2HH1 ARG 96 HH12 ARG 96 195.917 5.059 -2.258 796 1HH2 ARG 96 HH21 ARG 96 195.742 4.138 -5.623 797 2HH2 ARG 96 HH22 ARG 96 195.541 5.424 -4.481 798 H ALA 97 HN ALA 97 198.485 -3.086 -5.915 799 HA ALA 97 HA ALA 97 198.417 -2.292 -8.645 800 1HB ALA 97 HB1 ALA 97 200.875 -1.891 -7.543 801 2HB ALA 97 HB2 ALA 97 200.572 -2.191 -9.254 802 3HB ALA 97 HB3 ALA 97 201.037 -3.522 -8.195 803 H ALA 98 HN ALA 98 196.943 -3.895 -8.984 804 HA ALA 98 HA ALA 98 197.674 -6.642 -8.274 805 1HB ALA 98 HB1 ALA 98 195.214 -6.972 -9.179 806 2HB ALA 98 HB2 ALA 98 195.108 -5.246 -8.823 807 3HB ALA 98 HB3 ALA 98 195.526 -6.386 -7.543 808 H THR 99 HN THR 99 197.054 -8.344 -9.901 809 HA THR 99 HA THR 99 198.056 -7.525 -12.531 810 HB THR 99 HB THR 99 199.329 -9.299 -11.550 811 HG1 THR 99 HG1 THR 99 197.577 -10.494 -13.427 812 1HG2 THR 99 HG21 THR 99 197.761 -11.542 -11.402 813 2HG2 THR 99 HG22 THR 99 196.749 -10.295 -10.673 814 3HG2 THR 99 HG23 THR 99 198.364 -10.603 -10.036 815 H SER 100 HN SER 100 195.288 -7.080 -11.641 816 HA SER 100 HA SER 100 193.764 -8.943 -13.295 817 1HB SER 100 HB2 SER 100 193.169 -7.848 -10.886 818 2HB SER 100 HB1 SER 100 192.356 -6.713 -11.964 819 HG SER 100 HG SER 100 191.007 -8.467 -11.380 820 H VAL 101 HN VAL 101 195.381 -6.068 -13.723 821 HA VAL 101 HA VAL 101 193.457 -4.901 -15.571 822 HB VAL 101 HB VAL 101 196.260 -3.924 -15.042 823 1HG1 VAL 101 HG11 VAL 101 195.484 -1.834 -15.864 824 2HG1 VAL 101 HG12 VAL 101 193.809 -2.385 -15.871 825 3HG1 VAL 101 HG13 VAL 101 194.966 -3.064 -17.017 826 1HG2 VAL 101 HG21 VAL 101 193.800 -3.678 -13.388 827 2HG2 VAL 101 HG22 VAL 101 194.863 -2.277 -13.518 828 3HG2 VAL 101 HG23 VAL 101 195.489 -3.804 -12.894 829 H LYS 102 HN LYS 102 196.678 -6.370 -15.624 830 HA LYS 102 HA LYS 102 196.945 -6.131 -18.471 831 1HB LYS 102 HB2 LYS 102 198.942 -6.096 -17.142 832 2HB LYS 102 HB1 LYS 102 198.534 -7.630 -16.391 833 1HG LYS 102 HG2 LYS 102 198.767 -7.674 -19.326 834 2HG LYS 102 HG1 LYS 102 200.260 -7.359 -18.438 835 1HD LYS 102 HD2 LYS 102 198.408 -9.706 -18.012 836 2HD LYS 102 HD1 LYS 102 199.957 -9.752 -18.854 837 1HE LYS 102 HE2 LYS 102 200.760 -10.363 -16.845 838 2HE LYS 102 HE1 LYS 102 200.695 -8.635 -16.503 839 1HZ LYS 102 HZ1 LYS 102 198.183 -9.506 -15.922 840 2HZ LYS 102 HZ2 LYS 102 199.408 -9.202 -14.797 841 3HZ LYS 102 HZ3 LYS 102 199.162 -10.772 -15.371 842 H ASP 103 HN ASP 103 195.181 -8.210 -16.512 843 HA ASP 103 HA ASP 103 195.527 -10.707 -17.685 844 1HB ASP 103 HB2 ASP 103 193.446 -11.326 -16.724 845 2HB ASP 103 HB1 ASP 103 194.148 -10.138 -15.631 846 H ALA 104 HN ALA 104 193.314 -8.088 -18.619 847 HA ALA 104 HA ALA 104 192.479 -9.560 -20.981 848 1HB ALA 104 HB1 ALA 104 191.571 -7.097 -19.589 849 2HB ALA 104 HB2 ALA 104 190.648 -8.492 -20.143 850 3HB ALA 104 HB3 ALA 104 191.194 -7.281 -21.302 851 H ASN 105 HN ASN 105 195.255 -8.806 -20.904 852 HA ASN 105 HA ASN 105 195.420 -6.639 -22.866 853 1HB ASN 105 HB2 ASN 105 196.941 -7.061 -20.674 854 2HB ASN 105 HB1 ASN 105 197.901 -7.916 -21.877 855 1HD2 ASN 105 HD21 ASN 105 199.445 -6.710 -22.681 856 2HD2 ASN 105 HD22 ASN 105 199.366 -5.014 -22.992 857 H PHE 106 HN PHE 106 195.875 -10.068 -22.485 858 HA PHE 106 HA PHE 106 197.458 -10.634 -24.712 859 1HB PHE 106 HB2 PHE 106 195.237 -12.300 -23.508 860 2HB PHE 106 HB1 PHE 106 196.465 -12.896 -24.618 861 HD1 PHE 106 HD1 PHE 106 198.684 -13.364 -23.874 862 HD2 PHE 106 HD2 PHE 106 195.831 -11.651 -21.223 863 HE1 PHE 106 HE1 PHE 106 200.164 -13.857 -21.971 864 HE2 PHE 106 HE2 PHE 106 197.306 -12.138 -19.314 865 HZ PHE 106 HZ PHE 106 199.475 -13.243 -19.688 866 H VAL 107 HN VAL 107 196.725 -11.739 -26.726 867 HA VAL 107 HA VAL 107 194.929 -10.065 -28.152 868 HB VAL 107 HB VAL 107 195.897 -12.762 -29.083 869 1HG1 VAL 107 HG11 VAL 107 194.374 -11.972 -30.640 870 2HG1 VAL 107 HG12 VAL 107 195.911 -11.396 -31.284 871 3HG1 VAL 107 HG13 VAL 107 194.852 -10.291 -30.406 872 1HG2 VAL 107 HG21 VAL 107 197.977 -11.986 -28.764 873 2HG2 VAL 107 HG22 VAL 107 197.426 -10.326 -28.537 874 3HG2 VAL 107 HG23 VAL 107 197.647 -10.966 -30.165 875 H GLU 108 HN GLU 108 193.006 -10.760 -29.302 876 HA GLU 108 HA GLU 108 191.027 -11.800 -27.724 877 1HB GLU 108 HB2 GLU 108 189.949 -12.414 -30.063 878 2HB GLU 108 HB1 GLU 108 190.116 -10.749 -29.528 879 1HG GLU 108 HG2 GLU 108 192.415 -11.813 -31.010 880 2HG GLU 108 HG1 GLU 108 190.918 -11.677 -31.932 881 H GLU 109 HN GLU 109 191.499 -13.689 -30.585 882 HA GLU 109 HA GLU 109 190.840 -16.116 -29.408 883 1HB GLU 109 HB2 GLU 109 192.093 -17.099 -31.459 884 2HB GLU 109 HB1 GLU 109 190.655 -16.125 -31.722 885 1HG GLU 109 HG2 GLU 109 192.561 -15.659 -33.266 886 2HG GLU 109 HG1 GLU 109 191.935 -14.254 -32.404 887 H VAL 110 HN VAL 110 192.523 -18.075 -29.766 888 HA VAL 110 HA VAL 110 194.349 -19.176 -28.967 889 HB VAL 110 HB VAL 110 195.723 -16.493 -28.797 890 1HG1 VAL 110 HG11 VAL 110 196.573 -19.311 -28.556 891 2HG1 VAL 110 HG12 VAL 110 197.232 -17.856 -27.807 892 3HG1 VAL 110 HG13 VAL 110 197.633 -18.249 -29.480 893 1HG2 VAL 110 HG21 VAL 110 195.956 -18.330 -31.146 894 2HG2 VAL 110 HG22 VAL 110 196.314 -16.608 -31.033 895 3HG2 VAL 110 HG23 VAL 110 194.640 -17.160 -31.058 896 H GLU 111 HN GLU 111 192.299 -18.075 -27.200 897 HA GLU 111 HA GLU 111 193.785 -17.450 -24.762 898 1HB GLU 111 HB2 GLU 111 191.832 -16.066 -25.283 899 2HB GLU 111 HB1 GLU 111 190.809 -17.495 -25.301 900 1HG GLU 111 HG2 GLU 111 190.446 -17.271 -23.137 901 2HG GLU 111 HG1 GLU 111 192.170 -17.450 -22.822 902 H GLU 112 HN GLU 112 194.637 -19.749 -24.995 903 HA GLU 112 HA GLU 112 194.757 -21.876 -24.202 904 1HB GLU 112 HB2 GLU 112 193.086 -20.422 -22.280 905 2HB GLU 112 HB1 GLU 112 192.829 -22.162 -22.260 906 1HG GLU 112 HG2 GLU 112 195.026 -22.606 -21.643 907 2HG GLU 112 HG1 GLU 112 195.588 -21.012 -22.146 908 H GLU 113 HN GLU 113 192.928 -21.239 -26.408 909 HA GLU 113 HA GLU 113 190.569 -22.810 -26.142 910 1HB GLU 113 HB2 GLU 113 190.534 -22.629 -28.675 911 2HB GLU 113 HB1 GLU 113 190.513 -21.110 -27.786 912 1HG GLU 113 HG2 GLU 113 192.325 -20.424 -28.843 913 2HG GLU 113 HG1 GLU 113 193.219 -21.843 -28.305 Start of MODEL 20 1 1H MET 1 HT1 MET 1 187.313 -0.775 -6.543 2 2H MET 1 HT2 MET 1 186.870 -2.431 -6.638 3 3H MET 1 HT3 MET 1 185.664 -1.229 -6.432 4 HA MET 1 HA MET 1 186.375 -0.283 -8.575 5 1HB MET 1 HB2 MET 1 187.990 -1.277 -9.822 6 2HB MET 1 HB1 MET 1 188.528 -1.871 -8.260 7 1HG MET 1 HG2 MET 1 186.759 -3.395 -10.163 8 2HG MET 1 HG1 MET 1 188.503 -3.597 -10.018 9 1HE MET 1 HE1 MET 1 189.264 -5.331 -9.321 10 2HE MET 1 HE2 MET 1 188.251 -6.652 -8.738 11 3HE MET 1 HE3 MET 1 189.299 -5.782 -7.616 12 H THR 2 HN THR 2 185.130 -3.179 -7.186 13 HA THR 2 HA THR 2 183.131 -3.336 -9.347 14 HB THR 2 HB THR 2 184.315 -5.592 -7.717 15 HG1 THR 2 HG1 THR 2 184.350 -5.117 -10.511 16 1HG2 THR 2 HG21 THR 2 182.185 -6.389 -7.996 17 2HG2 THR 2 HG22 THR 2 182.970 -6.962 -9.468 18 3HG2 THR 2 HG23 THR 2 181.943 -5.528 -9.515 19 H MET 3 HN MET 3 181.314 -2.461 -8.572 20 HA MET 3 HA MET 3 180.622 -2.133 -5.898 21 1HB MET 3 HB2 MET 3 179.561 -0.900 -7.742 22 2HB MET 3 HB1 MET 3 178.773 -2.377 -8.279 23 1HG MET 3 HG2 MET 3 178.135 -2.039 -5.552 24 2HG MET 3 HG1 MET 3 177.906 -0.480 -6.341 25 1HE MET 3 HE1 MET 3 174.630 -0.524 -7.243 26 2HE MET 3 HE2 MET 3 175.603 -0.492 -8.715 27 3HE MET 3 HE3 MET 3 176.214 0.251 -7.237 28 H ASN 4 HN ASN 4 180.816 -3.948 -4.643 29 HA ASN 4 HA ASN 4 179.447 -6.393 -5.408 30 1HB ASN 4 HB2 ASN 4 181.334 -5.629 -3.207 31 2HB ASN 4 HB1 ASN 4 180.380 -7.104 -3.073 32 1HD2 ASN 4 HD21 ASN 4 181.530 -8.800 -3.610 33 2HD2 ASN 4 HD22 ASN 4 182.675 -8.896 -4.899 34 H ILE 5 HN ILE 5 177.418 -6.789 -4.898 35 HA ILE 5 HA ILE 5 176.295 -5.581 -2.454 36 HB ILE 5 HB ILE 5 174.655 -6.131 -4.917 37 1HG1 ILE 5 HG12 ILE 5 176.452 -4.495 -5.459 38 2HG1 ILE 5 HG11 ILE 5 174.839 -3.794 -5.534 39 1HG2 ILE 5 HG21 ILE 5 173.171 -4.423 -3.821 40 2HG2 ILE 5 HG22 ILE 5 174.228 -4.518 -2.412 41 3HG2 ILE 5 HG23 ILE 5 173.343 -5.948 -2.948 42 1HD1 ILE 5 HD11 ILE 5 176.434 -2.284 -4.488 43 2HD1 ILE 5 HD12 ILE 5 176.778 -3.495 -3.254 44 3HD1 ILE 5 HD13 ILE 5 175.173 -2.769 -3.356 45 H THR 6 HN THR 6 175.218 -6.944 -1.113 46 HA THR 6 HA THR 6 174.322 -9.531 -2.107 47 HB THR 6 HB THR 6 175.467 -10.603 -0.055 48 HG1 THR 6 HG1 THR 6 177.249 -9.552 0.705 49 1HG2 THR 6 HG21 THR 6 176.195 -10.586 -2.628 50 2HG2 THR 6 HG22 THR 6 177.109 -11.405 -1.361 51 3HG2 THR 6 HG23 THR 6 177.605 -9.805 -1.911 52 H SER 7 HN SER 7 172.231 -8.777 -1.658 53 HA SER 7 HA SER 7 171.571 -8.130 1.110 54 1HB SER 7 HB2 SER 7 170.047 -7.985 -1.486 55 2HB SER 7 HB1 SER 7 169.233 -7.824 0.071 56 HG SER 7 HG SER 7 169.905 -5.845 0.111 57 H LYS 8 HN LYS 8 170.238 -9.383 2.404 58 HA LYS 8 HA LYS 8 170.279 -12.179 1.907 59 1HB LYS 8 HB2 LYS 8 170.444 -11.352 4.172 60 2HB LYS 8 HB1 LYS 8 168.878 -10.565 4.044 61 1HG LYS 8 HG2 LYS 8 167.783 -12.728 3.866 62 2HG LYS 8 HG1 LYS 8 169.350 -13.538 3.937 63 1HD LYS 8 HD2 LYS 8 168.948 -11.682 6.142 64 2HD LYS 8 HD1 LYS 8 167.715 -12.944 6.084 65 1HE LYS 8 HE2 LYS 8 169.489 -13.760 7.440 66 2HE LYS 8 HE1 LYS 8 169.571 -14.619 5.903 67 1HZ LYS 8 HZ1 LYS 8 171.346 -12.491 6.922 68 2HZ LYS 8 HZ2 LYS 8 171.245 -12.814 5.264 69 3HZ LYS 8 HZ3 LYS 8 171.756 -14.024 6.331 70 H GLN 9 HN GLN 9 167.258 -10.782 3.043 71 HA GLN 9 HA GLN 9 165.914 -12.109 0.792 72 1HB GLN 9 HB2 GLN 9 164.042 -12.481 2.171 73 2HB GLN 9 HB1 GLN 9 165.430 -12.841 3.185 74 1HG GLN 9 HG2 GLN 9 164.008 -10.192 3.224 75 2HG GLN 9 HG1 GLN 9 163.577 -11.543 4.270 76 1HE2 GLN 9 HE21 GLN 9 164.604 -8.866 4.906 77 2HE2 GLN 9 HE22 GLN 9 166.035 -9.125 5.841 78 H MET 10 HN MET 10 166.983 -9.174 1.388 79 HA MET 10 HA MET 10 164.555 -7.816 0.423 80 1HB MET 10 HB2 MET 10 165.376 -6.989 2.595 81 2HB MET 10 HB1 MET 10 166.938 -6.640 1.870 82 1HG MET 10 HG2 MET 10 165.582 -4.633 2.112 83 2HG MET 10 HG1 MET 10 165.926 -4.986 0.420 84 1HE MET 10 HE1 MET 10 162.671 -3.342 -0.080 85 2HE MET 10 HE2 MET 10 163.496 -4.361 -1.261 86 3HE MET 10 HE3 MET 10 164.432 -3.334 -0.176 87 H GLU 11 HN GLU 11 164.945 -8.334 -1.759 88 HA GLU 11 HA GLU 11 167.268 -8.097 -3.196 89 1HB GLU 11 HB2 GLU 11 164.401 -8.003 -3.822 90 2HB GLU 11 HB1 GLU 11 165.414 -7.177 -4.998 91 1HG GLU 11 HG2 GLU 11 165.833 -9.131 -5.934 92 2HG GLU 11 HG1 GLU 11 166.699 -9.602 -4.472 93 H ILE 12 HN ILE 12 167.653 -6.383 -4.962 94 HA ILE 12 HA ILE 12 167.776 -3.793 -3.604 95 HB ILE 12 HB ILE 12 169.202 -4.588 -6.140 96 1HG1 ILE 12 HG12 ILE 12 171.193 -4.758 -4.481 97 2HG1 ILE 12 HG11 ILE 12 169.951 -4.964 -3.252 98 1HG2 ILE 12 HG21 ILE 12 170.216 -2.552 -4.231 99 2HG2 ILE 12 HG22 ILE 12 168.839 -2.123 -5.246 100 3HG2 ILE 12 HG23 ILE 12 170.357 -2.629 -5.988 101 1HD1 ILE 12 HD11 ILE 12 171.102 -6.950 -4.762 102 2HD1 ILE 12 HD12 ILE 12 169.538 -6.698 -5.536 103 3HD1 ILE 12 HD13 ILE 12 169.620 -7.084 -3.816 104 H THR 13 HN THR 13 165.692 -3.031 -3.973 105 HA THR 13 HA THR 13 164.360 -3.028 -6.440 106 HB THR 13 HB THR 13 162.818 -1.523 -5.459 107 HG1 THR 13 HG1 THR 13 163.341 -0.033 -4.009 108 1HG2 THR 13 HG21 THR 13 163.803 -3.661 -3.866 109 2HG2 THR 13 HG22 THR 13 162.174 -2.988 -3.945 110 3HG2 THR 13 HG23 THR 13 163.350 -2.320 -2.813 111 HA PRO 14 HA PRO 14 166.166 0.001 -9.059 112 1HB PRO 14 HB2 PRO 14 163.943 1.663 -9.495 113 2HB PRO 14 HB1 PRO 14 164.408 0.261 -10.461 114 1HG PRO 14 HG2 PRO 14 162.390 0.479 -8.281 115 2HG PRO 14 HG1 PRO 14 162.353 -0.507 -9.756 116 1HD PRO 14 HD2 PRO 14 162.870 -1.604 -7.376 117 2HD PRO 14 HD1 PRO 14 163.720 -2.149 -8.837 118 H ALA 15 HN ALA 15 164.016 1.325 -6.560 119 HA ALA 15 HA ALA 15 165.227 3.900 -6.530 120 1HB ALA 15 HB1 ALA 15 163.161 4.081 -5.620 121 2HB ALA 15 HB2 ALA 15 164.053 3.799 -4.125 122 3HB ALA 15 HB3 ALA 15 163.209 2.466 -4.914 123 H ILE 16 HN ILE 16 165.797 0.902 -4.800 124 HA ILE 16 HA ILE 16 167.595 2.077 -2.891 125 HB ILE 16 HB ILE 16 167.117 -0.823 -3.589 126 1HG1 ILE 16 HG12 ILE 16 166.175 0.702 -1.162 127 2HG1 ILE 16 HG11 ILE 16 165.199 0.542 -2.618 128 1HG2 ILE 16 HG21 ILE 16 168.079 -0.876 -1.076 129 2HG2 ILE 16 HG22 ILE 16 168.978 0.497 -1.720 130 3HG2 ILE 16 HG23 ILE 16 169.086 -1.075 -2.511 131 1HD1 ILE 16 HD11 ILE 16 166.193 -1.710 -0.888 132 2HD1 ILE 16 HD12 ILE 16 165.249 -1.893 -2.367 133 3HD1 ILE 16 HD13 ILE 16 164.543 -1.091 -0.963 134 H ARG 17 HN ARG 17 167.971 0.037 -5.790 135 HA ARG 17 HA ARG 17 170.756 -0.187 -5.688 136 1HB ARG 17 HB2 ARG 17 170.665 -1.011 -7.884 137 2HB ARG 17 HB1 ARG 17 169.118 -1.456 -7.182 138 1HG ARG 17 HG2 ARG 17 167.998 0.292 -8.361 139 2HG ARG 17 HG1 ARG 17 169.532 0.965 -8.920 140 1HD ARG 17 HD2 ARG 17 169.865 -0.712 -10.456 141 2HD ARG 17 HD1 ARG 17 168.885 -1.870 -9.562 142 HE ARG 17 HE ARG 17 166.968 -1.002 -10.556 143 1HH1 ARG 17 HH11 ARG 17 169.794 0.813 -11.525 144 2HH1 ARG 17 HH12 ARG 17 168.993 1.581 -12.854 145 1HH2 ARG 17 HH21 ARG 17 165.922 0.010 -12.301 146 2HH2 ARG 17 HH22 ARG 17 166.798 1.128 -13.294 147 H GLN 18 HN GLN 18 168.697 2.366 -6.909 148 HA GLN 18 HA GLN 18 170.821 3.797 -8.204 149 1HB GLN 18 HB2 GLN 18 168.088 3.877 -8.361 150 2HB GLN 18 HB1 GLN 18 168.435 5.326 -7.429 151 1HG GLN 18 HG2 GLN 18 168.312 5.809 -9.804 152 2HG GLN 18 HG1 GLN 18 169.930 6.114 -9.174 153 1HE2 GLN 18 HE21 GLN 18 170.788 5.948 -11.266 154 2HE2 GLN 18 HE22 GLN 18 171.001 4.417 -12.038 155 H HIS 19 HN HIS 19 169.195 3.935 -5.084 156 HA HIS 19 HA HIS 19 170.284 6.360 -4.174 157 1HB HIS 19 HB2 HIS 19 168.525 4.473 -3.171 158 2HB HIS 19 HB1 HIS 19 169.897 4.365 -2.072 159 HD1 HIS 19 HD1 HIS 19 167.717 7.116 -3.556 160 HD2 HIS 19 HD2 HIS 19 169.762 6.169 -0.065 161 HE1 HIS 19 HE1 HIS 19 167.192 8.971 -1.942 162 HE2 HIS 19 HE2 HIS 19 168.368 8.330 0.190 163 H VAL 20 HN VAL 20 171.276 3.053 -3.244 164 HA VAL 20 HA VAL 20 173.635 3.818 -1.951 165 HB VAL 20 HB VAL 20 172.547 1.582 -1.740 166 1HG1 VAL 20 HG11 VAL 20 173.890 1.010 -4.379 167 2HG1 VAL 20 HG12 VAL 20 172.152 1.171 -4.126 168 3HG1 VAL 20 HG13 VAL 20 173.034 -0.154 -3.366 169 1HG2 VAL 20 HG21 VAL 20 174.772 1.932 -0.865 170 2HG2 VAL 20 HG22 VAL 20 175.478 1.603 -2.447 171 3HG2 VAL 20 HG23 VAL 20 174.659 0.317 -1.564 172 H ALA 21 HN ALA 21 173.056 2.860 -5.306 173 HA ALA 21 HA ALA 21 175.669 2.709 -6.218 174 1HB ALA 21 HB1 ALA 21 174.688 3.367 -8.452 175 2HB ALA 21 HB2 ALA 21 173.146 3.559 -7.616 176 3HB ALA 21 HB3 ALA 21 173.938 1.984 -7.655 177 H ASP 22 HN ASP 22 173.542 5.556 -6.080 178 HA ASP 22 HA ASP 22 175.326 7.389 -7.219 179 1HB ASP 22 HB2 ASP 22 172.761 7.537 -6.399 180 2HB ASP 22 HB1 ASP 22 173.544 8.383 -5.069 181 H ARG 23 HN ARG 23 174.856 6.389 -3.860 182 HA ARG 23 HA ARG 23 176.657 8.237 -2.713 183 1HB ARG 23 HB2 ARG 23 174.875 6.418 -1.731 184 2HB ARG 23 HB1 ARG 23 176.404 5.627 -1.367 185 1HG ARG 23 HG2 ARG 23 175.564 7.015 0.485 186 2HG ARG 23 HG1 ARG 23 177.147 7.529 -0.100 187 1HD ARG 23 HD2 ARG 23 175.430 9.350 0.378 188 2HD ARG 23 HD1 ARG 23 176.262 9.415 -1.175 189 HE ARG 23 HE ARG 23 173.775 7.996 -1.293 190 1HH1 ARG 23 HH11 ARG 23 175.240 11.161 -1.383 191 2HH1 ARG 23 HH12 ARG 23 173.943 11.875 -2.280 192 1HH2 ARG 23 HH21 ARG 23 172.066 8.932 -2.474 193 2HH2 ARG 23 HH22 ARG 23 172.141 10.610 -2.898 194 H LEU 24 HN LEU 24 177.055 4.845 -3.697 195 HA LEU 24 HA LEU 24 179.746 4.585 -2.946 196 1HB LEU 24 HB2 LEU 24 178.246 2.697 -3.495 197 2HB LEU 24 HB1 LEU 24 178.285 3.175 -5.181 198 HG LEU 24 HG LEU 24 180.816 2.830 -5.058 199 1HD1 LEU 24 HD11 LEU 24 181.675 1.425 -3.335 200 2HD1 LEU 24 HD12 LEU 24 180.071 1.213 -2.631 201 3HD1 LEU 24 HD13 LEU 24 180.863 2.788 -2.561 202 1HD2 LEU 24 HD21 LEU 24 179.088 1.305 -6.111 203 2HD2 LEU 24 HD22 LEU 24 179.183 0.342 -4.636 204 3HD2 LEU 24 HD23 LEU 24 180.614 0.556 -5.643 205 H ALA 25 HN ALA 25 178.244 6.020 -5.738 206 HA ALA 25 HA ALA 25 180.504 6.030 -7.444 207 1HB ALA 25 HB1 ALA 25 178.421 8.162 -7.595 208 2HB ALA 25 HB2 ALA 25 177.985 6.490 -7.951 209 3HB ALA 25 HB3 ALA 25 179.239 7.294 -8.895 210 H LYS 26 HN LYS 26 179.091 8.607 -5.423 211 HA LYS 26 HA LYS 26 181.086 10.513 -5.894 212 1HB LYS 26 HB2 LYS 26 178.957 10.121 -3.865 213 2HB LYS 26 HB1 LYS 26 180.256 11.227 -3.439 214 1HG LYS 26 HG2 LYS 26 179.804 12.594 -5.356 215 2HG LYS 26 HG1 LYS 26 178.620 11.429 -5.958 216 1HD LYS 26 HD2 LYS 26 177.153 12.809 -4.934 217 2HD LYS 26 HD1 LYS 26 177.620 11.895 -3.499 218 1HE LYS 26 HE2 LYS 26 178.601 14.593 -4.394 219 2HE LYS 26 HE1 LYS 26 177.758 14.178 -2.901 220 1HZ LYS 26 HZ1 LYS 26 180.036 14.471 -2.383 221 2HZ LYS 26 HZ2 LYS 26 180.539 13.473 -3.651 222 3HZ LYS 26 HZ3 LYS 26 179.739 12.806 -2.319 223 H LEU 27 HN LEU 27 180.992 7.766 -3.764 224 HA LEU 27 HA LEU 27 182.928 8.457 -1.893 225 1HB LEU 27 HB2 LEU 27 181.861 5.923 -2.991 226 2HB LEU 27 HB1 LEU 27 183.399 5.822 -2.155 227 HG LEU 27 HG LEU 27 181.011 7.127 -0.882 228 1HD1 LEU 27 HD11 LEU 27 181.533 4.264 -1.336 229 2HD1 LEU 27 HD12 LEU 27 180.016 5.111 -1.036 230 3HD1 LEU 27 HD13 LEU 27 181.086 4.717 0.309 231 1HD2 LEU 27 HD21 LEU 27 182.380 6.078 1.123 232 2HD2 LEU 27 HD22 LEU 27 182.796 7.650 0.438 233 3HD2 LEU 27 HD23 LEU 27 183.706 6.213 -0.032 234 H GLU 28 HN GLU 28 183.262 7.621 -5.238 235 HA GLU 28 HA GLU 28 185.946 6.799 -5.262 236 1HB GLU 28 HB2 GLU 28 183.967 7.057 -7.139 237 2HB GLU 28 HB1 GLU 28 185.076 8.337 -7.608 238 1HG GLU 28 HG2 GLU 28 186.877 6.776 -7.838 239 2HG GLU 28 HG1 GLU 28 185.891 5.474 -7.175 240 H LYS 29 HN LYS 29 184.579 9.880 -4.695 241 HA LYS 29 HA LYS 29 187.023 11.286 -5.456 242 1HB LYS 29 HB2 LYS 29 184.495 12.047 -5.799 243 2HB LYS 29 HB1 LYS 29 184.734 12.700 -4.183 244 1HG LYS 29 HG2 LYS 29 186.988 13.526 -5.531 245 2HG LYS 29 HG1 LYS 29 185.715 13.652 -6.746 246 1HD LYS 29 HD2 LYS 29 185.619 14.852 -3.978 247 2HD LYS 29 HD1 LYS 29 185.987 15.733 -5.462 248 1HE LYS 29 HE2 LYS 29 183.747 14.993 -6.330 249 2HE LYS 29 HE1 LYS 29 183.400 14.384 -4.712 250 1HZ LYS 29 HZ1 LYS 29 184.166 16.861 -4.142 251 2HZ LYS 29 HZ2 LYS 29 182.558 16.442 -4.458 252 3HZ LYS 29 HZ3 LYS 29 183.510 17.121 -5.680 253 H TRP 30 HN TRP 30 186.890 9.418 -3.146 254 HA TRP 30 HA TRP 30 187.458 11.315 -0.967 255 1HB TRP 30 HB2 TRP 30 186.242 8.626 -1.042 256 2HB TRP 30 HB1 TRP 30 187.374 8.900 0.277 257 HD1 TRP 30 HD1 TRP 30 183.920 9.874 -0.948 258 HE1 TRP 30 HE1 TRP 30 182.722 11.217 0.892 259 HE3 TRP 30 HE3 TRP 30 187.849 10.547 2.252 260 HZ2 TRP 30 HZ2 TRP 30 183.359 12.404 3.373 261 HZ3 TRP 30 HZ3 TRP 30 187.471 11.798 4.336 262 HH2 TRP 30 HH2 TRP 30 185.271 12.708 4.882 263 H GLN 31 HN GLN 31 189.336 10.845 -3.032 264 HA GLN 31 HA GLN 31 191.483 10.178 -3.450 265 1HB GLN 31 HB2 GLN 31 191.469 11.833 -1.391 266 2HB GLN 31 HB1 GLN 31 192.072 10.419 -0.537 267 1HG GLN 31 HG2 GLN 31 194.087 11.091 -1.188 268 2HG GLN 31 HG1 GLN 31 193.642 10.465 -2.776 269 1HE2 GLN 31 HE21 GLN 31 192.297 12.097 -4.084 270 2HE2 GLN 31 HE22 GLN 31 192.907 13.714 -4.107 271 H THR 32 HN THR 32 189.565 8.008 -2.427 272 HA THR 32 HA THR 32 191.611 6.104 -1.508 273 HB THR 32 HB THR 32 189.814 6.333 0.094 274 HG1 THR 32 HG1 THR 32 189.430 3.931 -1.352 275 1HG2 THR 32 HG21 THR 32 188.007 7.165 -1.215 276 2HG2 THR 32 HG22 THR 32 187.506 5.641 -0.486 277 3HG2 THR 32 HG23 THR 32 187.967 5.696 -2.188 278 H HIS 33 HN HIS 33 191.293 3.836 -2.281 279 HA HIS 33 HA HIS 33 190.711 3.895 -5.146 280 1HB HIS 33 HB2 HIS 33 192.138 1.783 -3.518 281 2HB HIS 33 HB1 HIS 33 192.013 1.832 -5.274 282 HD1 HIS 33 HD1 HIS 33 194.678 1.810 -5.204 283 HD2 HIS 33 HD2 HIS 33 192.862 5.238 -3.717 284 HE1 HIS 33 HE1 HIS 33 196.493 3.547 -5.113 285 HE2 HIS 33 HE2 HIS 33 195.390 5.590 -4.137 286 H LEU 34 HN LEU 34 190.208 1.630 -2.429 287 HA LEU 34 HA LEU 34 188.527 0.176 -1.954 288 1HB LEU 34 HB2 LEU 34 187.142 2.254 -3.566 289 2HB LEU 34 HB1 LEU 34 186.306 0.729 -3.353 290 HG LEU 34 HG LEU 34 185.455 1.985 -1.616 291 1HD1 LEU 34 HD11 LEU 34 186.641 -0.154 -0.857 292 2HD1 LEU 34 HD12 LEU 34 186.180 1.020 0.376 293 3HD1 LEU 34 HD13 LEU 34 187.853 0.925 -0.168 294 1HD2 LEU 34 HD21 LEU 34 187.855 3.082 -0.409 295 2HD2 LEU 34 HD22 LEU 34 186.349 3.877 -0.867 296 3HD2 LEU 34 HD23 LEU 34 187.617 3.630 -2.068 297 H ILE 35 HN ILE 35 188.395 -1.872 -2.620 298 HA ILE 35 HA ILE 35 188.499 -2.384 -5.523 299 HB ILE 35 HB ILE 35 189.379 -4.506 -3.642 300 1HG1 ILE 35 HG12 ILE 35 190.517 -2.601 -2.674 301 2HG1 ILE 35 HG11 ILE 35 191.681 -3.554 -3.587 302 1HG2 ILE 35 HG21 ILE 35 190.382 -5.350 -5.466 303 2HG2 ILE 35 HG22 ILE 35 190.971 -3.775 -5.998 304 3HG2 ILE 35 HG23 ILE 35 189.309 -4.257 -6.339 305 1HD1 ILE 35 HD11 ILE 35 190.990 -0.798 -3.856 306 2HD1 ILE 35 HD12 ILE 35 190.657 -1.644 -5.366 307 3HD1 ILE 35 HD13 ILE 35 192.269 -1.712 -4.654 308 H ASN 36 HN ASN 36 187.523 -4.011 -2.491 309 HA ASN 36 HA ASN 36 185.306 -5.240 -3.985 310 1HB ASN 36 HB2 ASN 36 186.813 -6.887 -3.035 311 2HB ASN 36 HB1 ASN 36 186.688 -6.132 -1.458 312 1HD2 ASN 36 HD21 ASN 36 183.828 -6.331 -3.328 313 2HD2 ASN 36 HD22 ASN 36 183.115 -7.606 -2.429 314 HA PRO 37 HA PRO 37 183.331 -2.215 -1.033 315 1HB PRO 37 HB2 PRO 37 181.656 -1.091 -2.831 316 2HB PRO 37 HB1 PRO 37 183.321 -0.539 -2.618 317 1HG PRO 37 HG2 PRO 37 182.186 -2.372 -4.698 318 2HG PRO 37 HG1 PRO 37 183.330 -1.031 -4.894 319 1HD PRO 37 HD2 PRO 37 184.118 -3.624 -4.803 320 2HD PRO 37 HD1 PRO 37 185.125 -2.294 -4.197 321 H HIS 38 HN HIS 38 182.435 -4.161 -0.096 322 HA HIS 38 HA HIS 38 180.148 -5.408 -1.329 323 1HB HIS 38 HB2 HIS 38 181.963 -6.031 0.790 324 2HB HIS 38 HB1 HIS 38 180.322 -6.113 1.422 325 HD1 HIS 38 HD1 HIS 38 182.559 -8.426 0.476 326 HD2 HIS 38 HD2 HIS 38 178.825 -7.515 -1.103 327 HE1 HIS 38 HE1 HIS 38 181.811 -10.504 -0.726 328 HE2 HIS 38 HE2 HIS 38 179.592 -9.899 -1.750 329 H ILE 39 HN ILE 39 178.024 -5.109 -0.873 330 HA ILE 39 HA ILE 39 177.302 -3.261 1.289 331 HB ILE 39 HB ILE 39 176.048 -3.081 -1.445 332 1HG1 ILE 39 HG12 ILE 39 178.513 -2.447 -1.390 333 2HG1 ILE 39 HG11 ILE 39 177.406 -1.201 -1.952 334 1HG2 ILE 39 HG21 ILE 39 175.578 -1.843 1.160 335 2HG2 ILE 39 HG22 ILE 39 174.506 -2.012 -0.229 336 3HG2 ILE 39 HG23 ILE 39 175.676 -0.694 -0.173 337 1HD1 ILE 39 HD11 ILE 39 177.473 -0.220 0.336 338 2HD1 ILE 39 HD12 ILE 39 179.011 -0.186 -0.524 339 3HD1 ILE 39 HD13 ILE 39 178.733 -1.385 0.737 340 H ILE 40 HN ILE 40 176.332 -4.771 2.563 341 HA ILE 40 HA ILE 40 174.329 -6.554 1.399 342 HB ILE 40 HB ILE 40 175.269 -6.435 4.266 343 1HG1 ILE 40 HG12 ILE 40 176.185 -8.684 2.627 344 2HG1 ILE 40 HG11 ILE 40 176.823 -7.132 2.093 345 1HG2 ILE 40 HG21 ILE 40 174.288 -8.961 3.174 346 2HG2 ILE 40 HG22 ILE 40 173.075 -7.681 3.216 347 3HG2 ILE 40 HG23 ILE 40 173.908 -8.155 4.697 348 1HD1 ILE 40 HD11 ILE 40 178.130 -6.899 3.902 349 2HD1 ILE 40 HD12 ILE 40 177.977 -8.654 3.969 350 3HD1 ILE 40 HD13 ILE 40 176.955 -7.641 4.987 351 H LEU 41 HN LEU 41 172.428 -5.530 1.092 352 HA LEU 41 HA LEU 41 171.404 -3.830 3.264 353 1HB LEU 41 HB2 LEU 41 171.572 -2.665 1.164 354 2HB LEU 41 HB1 LEU 41 170.710 -3.944 0.330 355 HG LEU 41 HG LEU 41 169.097 -2.902 2.479 356 1HD1 LEU 41 HD11 LEU 41 169.022 -0.667 2.133 357 2HD1 LEU 41 HD12 LEU 41 169.448 -0.805 0.428 358 3HD1 LEU 41 HD13 LEU 41 170.702 -0.924 1.661 359 1HD2 LEU 41 HD21 LEU 41 168.329 -4.178 0.505 360 2HD2 LEU 41 HD22 LEU 41 168.726 -2.791 -0.509 361 3HD2 LEU 41 HD23 LEU 41 167.471 -2.653 0.723 362 H SER 42 HN SER 42 170.349 -5.191 4.617 363 HA SER 42 HA SER 42 168.304 -6.957 3.444 364 1HB SER 42 HB2 SER 42 169.954 -7.184 5.954 365 2HB SER 42 HB1 SER 42 168.451 -8.088 5.762 366 HG SER 42 HG SER 42 170.132 -9.363 5.030 367 H LYS 43 HN LYS 43 166.420 -7.349 5.002 368 HA LYS 43 HA LYS 43 165.607 -4.757 6.150 369 1HB LYS 43 HB2 LYS 43 164.378 -6.212 4.125 370 2HB LYS 43 HB1 LYS 43 163.415 -6.580 5.551 371 1HG LYS 43 HG2 LYS 43 164.054 -3.746 5.270 372 2HG LYS 43 HG1 LYS 43 163.103 -4.400 3.936 373 1HD LYS 43 HD2 LYS 43 161.567 -5.385 5.693 374 2HD LYS 43 HD1 LYS 43 162.429 -4.392 6.870 375 1HE LYS 43 HE2 LYS 43 161.374 -3.082 4.415 376 2HE LYS 43 HE1 LYS 43 160.231 -3.536 5.680 377 1HZ LYS 43 HZ1 LYS 43 160.781 -1.509 6.457 378 2HZ LYS 43 HZ2 LYS 43 162.286 -1.480 5.687 379 3HZ LYS 43 HZ3 LYS 43 162.095 -2.337 7.134 380 H GLU 44 HN GLU 44 165.636 -4.791 8.285 381 HA GLU 44 HA GLU 44 165.111 -7.306 9.696 382 1HB GLU 44 HB2 GLU 44 167.152 -6.371 10.411 383 2HB GLU 44 HB1 GLU 44 166.493 -4.746 10.463 384 1HG GLU 44 HG2 GLU 44 166.005 -4.967 12.606 385 2HG GLU 44 HG1 GLU 44 165.048 -6.409 12.287 386 HA PRO 45 HA PRO 45 160.955 -6.385 10.887 387 1HB PRO 45 HB2 PRO 45 162.068 -6.990 13.606 388 2HB PRO 45 HB1 PRO 45 160.553 -7.527 12.875 389 1HG PRO 45 HG2 PRO 45 162.665 -9.144 12.961 390 2HG PRO 45 HG1 PRO 45 161.602 -9.109 11.543 391 1HD PRO 45 HD2 PRO 45 164.353 -8.071 11.859 392 2HD PRO 45 HD1 PRO 45 163.504 -8.594 10.393 393 H GLN 46 HN GLN 46 163.538 -5.131 13.000 394 HA GLN 46 HA GLN 46 161.847 -2.827 13.637 395 1HB GLN 46 HB2 GLN 46 163.132 -4.299 15.365 396 2HB GLN 46 HB1 GLN 46 164.517 -3.322 14.893 397 1HG GLN 46 HG2 GLN 46 163.869 -1.760 16.313 398 2HG GLN 46 HG1 GLN 46 162.399 -1.534 15.367 399 1HE2 GLN 46 HE21 GLN 46 161.211 -4.025 15.851 400 2HE2 GLN 46 HE22 GLN 46 160.735 -4.087 17.511 401 H GLY 47 HN GLY 47 163.109 -3.021 11.011 402 1HA GLY 47 HA2 GLY 47 163.702 -0.736 10.088 403 2HA GLY 47 HA1 GLY 47 165.038 -0.794 11.223 404 H PHE 48 HN PHE 48 165.974 -0.310 8.949 405 HA PHE 48 HA PHE 48 166.474 -2.729 7.401 406 1HB PHE 48 HB2 PHE 48 166.385 0.086 6.842 407 2HB PHE 48 HB1 PHE 48 167.959 -0.548 6.372 408 HD1 PHE 48 HD1 PHE 48 168.125 -2.314 4.677 409 HD2 PHE 48 HD2 PHE 48 164.413 -0.494 5.665 410 HE1 PHE 48 HE1 PHE 48 167.151 -3.176 2.590 411 HE2 PHE 48 HE2 PHE 48 163.436 -1.337 3.572 412 HZ PHE 48 HZ PHE 48 164.803 -2.690 2.033 413 H VAL 49 HN VAL 49 168.418 -3.734 7.252 414 HA VAL 49 HA VAL 49 170.540 -2.782 9.060 415 HB VAL 49 HB VAL 49 170.138 -5.597 8.046 416 1HG1 VAL 49 HG11 VAL 49 172.056 -4.296 9.932 417 2HG1 VAL 49 HG12 VAL 49 172.364 -5.463 8.648 418 3HG1 VAL 49 HG13 VAL 49 171.614 -5.987 10.154 419 1HG2 VAL 49 HG21 VAL 49 169.306 -6.093 10.313 420 2HG2 VAL 49 HG22 VAL 49 168.257 -4.979 9.435 421 3HG2 VAL 49 HG23 VAL 49 169.344 -4.367 10.680 422 H ALA 50 HN ALA 50 171.499 -1.418 7.502 423 HA ALA 50 HA ALA 50 172.413 -2.526 4.990 424 1HB ALA 50 HB1 ALA 50 171.954 -0.347 4.591 425 2HB ALA 50 HB2 ALA 50 173.635 -0.144 5.083 426 3HB ALA 50 HB3 ALA 50 172.337 0.151 6.238 427 H ASP 51 HN ASP 51 173.879 -4.138 5.514 428 HA ASP 51 HA ASP 51 176.223 -3.390 7.099 429 1HB ASP 51 HB2 ASP 51 174.753 -5.838 6.680 430 2HB ASP 51 HB1 ASP 51 176.450 -6.078 6.274 431 H ALA 52 HN ALA 52 177.250 -2.061 5.578 432 HA ALA 52 HA ALA 52 178.128 -3.339 3.086 433 1HB ALA 52 HB1 ALA 52 177.604 -0.569 3.916 434 2HB ALA 52 HB2 ALA 52 177.427 -1.337 2.340 435 3HB ALA 52 HB3 ALA 52 179.014 -0.792 2.881 436 H THR 53 HN THR 53 180.196 -3.878 2.733 437 HA THR 53 HA THR 53 182.216 -2.999 4.690 438 HB THR 53 HB THR 53 182.125 -5.715 3.365 439 HG1 THR 53 HG1 THR 53 181.236 -4.858 5.906 440 1HG2 THR 53 HG21 THR 53 184.359 -4.868 4.133 441 2HG2 THR 53 HG22 THR 53 183.822 -6.384 4.859 442 3HG2 THR 53 HG23 THR 53 183.709 -4.880 5.773 443 H ILE 54 HN ILE 54 183.249 -1.478 3.509 444 HA ILE 54 HA ILE 54 184.086 -2.153 0.780 445 HB ILE 54 HB ILE 54 184.782 0.533 1.704 446 1HG1 ILE 54 HG12 ILE 54 181.863 -0.269 1.599 447 2HG1 ILE 54 HG11 ILE 54 182.732 0.333 3.006 448 1HG2 ILE 54 HG21 ILE 54 184.715 -0.495 -0.654 449 2HG2 ILE 54 HG22 ILE 54 184.120 1.152 -0.438 450 3HG2 ILE 54 HG23 ILE 54 182.981 -0.187 -0.578 451 1HD1 ILE 54 HD11 ILE 54 182.196 1.886 0.487 452 2HD1 ILE 54 HD12 ILE 54 183.025 2.485 1.924 453 3HD1 ILE 54 HD13 ILE 54 181.318 2.044 2.010 454 H ASN 55 HN ASN 55 186.137 -2.627 0.312 455 HA ASN 55 HA ASN 55 188.106 -2.482 2.467 456 1HB ASN 55 HB2 ASN 55 187.519 -4.482 0.698 457 2HB ASN 55 HB1 ASN 55 188.915 -3.730 -0.070 458 1HD2 ASN 55 HD21 ASN 55 190.528 -3.022 1.891 459 2HD2 ASN 55 HD22 ASN 55 191.000 -4.375 2.855 460 H THR 56 HN THR 56 189.036 -0.525 2.538 461 HA THR 56 HA THR 56 189.824 0.813 0.067 462 HB THR 56 HB THR 56 189.805 2.767 1.234 463 HG1 THR 56 HG1 THR 56 191.145 2.979 2.806 464 1HG2 THR 56 HG21 THR 56 188.413 1.263 3.417 465 2HG2 THR 56 HG22 THR 56 187.662 1.571 1.851 466 3HG2 THR 56 HG23 THR 56 188.151 2.921 2.875 467 HA PRO 57 HA PRO 57 194.116 -0.174 0.178 468 1HB PRO 57 HB2 PRO 57 195.370 2.269 0.061 469 2HB PRO 57 HB1 PRO 57 194.657 1.450 -1.332 470 1HG PRO 57 HG2 PRO 57 193.528 3.639 0.363 471 2HG PRO 57 HG1 PRO 57 193.457 3.434 -1.396 472 1HD PRO 57 HD2 PRO 57 191.366 2.848 0.180 473 2HD PRO 57 HD1 PRO 57 191.730 1.897 -1.273 474 H ASN 58 HN ASN 58 192.830 1.915 2.599 475 HA ASN 58 HA ASN 58 195.231 1.658 4.256 476 1HB ASN 58 HB2 ASN 58 194.239 3.902 4.054 477 2HB ASN 58 HB1 ASN 58 192.721 3.291 4.704 478 1HD2 ASN 58 HD21 ASN 58 192.468 3.110 6.855 479 2HD2 ASN 58 HD22 ASN 58 193.676 3.524 8.017 480 H GLY 59 HN GLY 59 192.004 0.450 3.914 481 1HA GLY 59 HA2 GLY 59 192.366 -1.692 5.658 482 2HA GLY 59 HA1 GLY 59 191.577 -0.418 6.575 483 H VAL 60 HN VAL 60 189.630 -1.451 6.850 484 HA VAL 60 HA VAL 60 188.026 -1.782 4.402 485 HB VAL 60 HB VAL 60 187.816 -3.560 6.836 486 1HG1 VAL 60 HG11 VAL 60 185.713 -3.360 5.702 487 2HG1 VAL 60 HG12 VAL 60 186.403 -4.937 5.317 488 3HG1 VAL 60 HG13 VAL 60 186.479 -3.629 4.137 489 1HG2 VAL 60 HG21 VAL 60 189.860 -3.666 5.069 490 2HG2 VAL 60 HG22 VAL 60 188.685 -4.708 4.269 491 3HG2 VAL 60 HG23 VAL 60 189.209 -5.072 5.913 492 H LEU 61 HN LEU 61 186.814 0.032 4.532 493 HA LEU 61 HA LEU 61 185.744 1.013 7.002 494 1HB LEU 61 HB2 LEU 61 185.533 1.781 4.123 495 2HB LEU 61 HB1 LEU 61 184.357 2.421 5.252 496 HG LEU 61 HG LEU 61 186.642 3.679 4.640 497 1HD1 LEU 61 HD11 LEU 61 186.357 4.957 6.699 498 2HD1 LEU 61 HD12 LEU 61 185.334 3.679 7.355 499 3HD1 LEU 61 HD13 LEU 61 184.805 4.596 5.944 500 1HD2 LEU 61 HD21 LEU 61 188.363 3.356 6.211 501 2HD2 LEU 61 HD22 LEU 61 187.935 1.738 5.653 502 3HD2 LEU 61 HD23 LEU 61 187.359 2.312 7.219 503 H VAL 62 HN VAL 62 184.140 0.011 8.019 504 HA VAL 62 HA VAL 62 182.179 -1.522 6.495 505 HB VAL 62 HB VAL 62 182.463 -1.262 9.493 506 1HG1 VAL 62 HG11 VAL 62 181.210 -3.655 8.369 507 2HG1 VAL 62 HG12 VAL 62 180.309 -2.169 8.072 508 3HG1 VAL 62 HG13 VAL 62 180.711 -2.641 9.723 509 1HG2 VAL 62 HG21 VAL 62 183.565 -3.287 7.554 510 2HG2 VAL 62 HG22 VAL 62 183.449 -3.570 9.292 511 3HG2 VAL 62 HG23 VAL 62 184.460 -2.263 8.678 512 H ALA 63 HN ALA 63 180.469 -0.472 5.755 513 HA ALA 63 HA ALA 63 179.466 1.889 7.138 514 1HB ALA 63 HB1 ALA 63 177.965 1.147 4.791 515 2HB ALA 63 HB2 ALA 63 179.693 1.172 4.453 516 3HB ALA 63 HB3 ALA 63 178.903 2.605 5.110 517 H SER 64 HN SER 64 178.071 1.532 8.741 518 HA SER 64 HA SER 64 176.121 -0.650 8.459 519 1HB SER 64 HB2 SER 64 176.305 0.643 11.089 520 2HB SER 64 HB1 SER 64 176.333 -1.070 10.667 521 HG SER 64 HG SER 64 178.562 -0.593 9.914 522 H GLY 65 HN GLY 65 174.226 0.020 7.699 523 1HA GLY 65 HA2 GLY 65 173.236 2.668 8.557 524 2HA GLY 65 HA1 GLY 65 172.829 1.910 7.025 525 H LYS 66 HN LYS 66 172.189 2.016 10.440 526 HA LYS 66 HA LYS 66 170.008 0.079 10.109 527 1HB LYS 66 HB2 LYS 66 171.733 -0.232 11.944 528 2HB LYS 66 HB1 LYS 66 171.047 1.195 12.710 529 1HG LYS 66 HG2 LYS 66 169.019 -0.754 11.998 530 2HG LYS 66 HG1 LYS 66 170.244 -1.415 13.083 531 1HD LYS 66 HD2 LYS 66 169.436 1.241 13.897 532 2HD LYS 66 HD1 LYS 66 168.048 0.156 13.782 533 1HE LYS 66 HE2 LYS 66 169.256 0.262 16.022 534 2HE LYS 66 HE1 LYS 66 168.947 -1.340 15.352 535 1HZ LYS 66 HZ1 LYS 66 171.492 -0.105 14.657 536 2HZ LYS 66 HZ2 LYS 66 171.134 -1.718 15.015 537 3HZ LYS 66 HZ3 LYS 66 171.312 -0.593 16.266 538 H HIS 67 HN HIS 67 168.095 0.966 9.637 539 HA HIS 67 HA HIS 67 166.998 3.011 11.316 540 1HB HIS 67 HB2 HIS 67 168.471 3.932 9.136 541 2HB HIS 67 HB1 HIS 67 166.792 4.051 8.614 542 HD1 HIS 67 HD1 HIS 67 169.197 5.411 11.147 543 HD2 HIS 67 HD2 HIS 67 165.270 5.989 9.917 544 HE1 HIS 67 HE1 HIS 67 168.447 7.535 12.266 545 HE2 HIS 67 HE2 HIS 67 166.096 7.907 11.441 546 H GLU 68 HN GLU 68 164.775 3.327 11.029 547 HA GLU 68 HA GLU 68 163.235 1.164 10.422 548 1HB GLU 68 HB2 GLU 68 162.677 4.081 10.603 549 2HB GLU 68 HB1 GLU 68 161.417 3.049 9.944 550 1HG GLU 68 HG2 GLU 68 162.745 2.469 12.569 551 2HG GLU 68 HG1 GLU 68 161.346 3.531 12.432 552 H ASP 69 HN ASP 69 163.674 3.967 8.240 553 HA ASP 69 HA ASP 69 162.458 2.478 6.068 554 1HB ASP 69 HB2 ASP 69 162.894 5.255 6.680 555 2HB ASP 69 HB1 ASP 69 163.531 4.894 5.077 556 H MET 70 HN MET 70 163.522 2.367 3.935 557 HA MET 70 HA MET 70 166.118 1.211 4.219 558 1HB MET 70 HB2 MET 70 165.893 0.466 2.019 559 2HB MET 70 HB1 MET 70 164.242 0.509 2.608 560 1HG MET 70 HG2 MET 70 165.413 2.781 1.041 561 2HG MET 70 HG1 MET 70 164.695 1.377 0.263 562 1HE MET 70 HE1 MET 70 161.293 1.378 0.465 563 2HE MET 70 HE2 MET 70 162.799 1.145 -0.424 564 3HE MET 70 HE3 MET 70 161.830 2.595 -0.692 565 H TYR 71 HN TYR 71 164.869 4.116 2.639 566 HA TYR 71 HA TYR 71 167.346 5.000 1.625 567 1HB TYR 71 HB2 TYR 71 164.662 6.197 2.020 568 2HB TYR 71 HB1 TYR 71 166.008 7.319 1.848 569 HD1 TYR 71 HD1 TYR 71 164.734 8.067 -0.224 570 HD2 TYR 71 HD2 TYR 71 166.465 4.195 0.130 571 HE1 TYR 71 HE1 TYR 71 164.646 7.807 -2.667 572 HE2 TYR 71 HE2 TYR 71 166.386 3.925 -2.306 573 HH TYR 71 HH TYR 71 164.610 5.999 -4.327 574 H THR 72 HN THR 72 165.808 5.345 4.745 575 HA THR 72 HA THR 72 167.516 7.402 5.718 576 HB THR 72 HB THR 72 166.750 5.953 7.950 577 HG1 THR 72 HG1 THR 72 165.285 4.632 7.254 578 1HG2 THR 72 HG21 THR 72 164.693 7.545 7.872 579 2HG2 THR 72 HG22 THR 72 165.554 8.263 6.510 580 3HG2 THR 72 HG23 THR 72 166.318 8.191 8.097 581 H ALA 73 HN ALA 73 167.591 3.876 5.780 582 HA ALA 73 HA ALA 73 169.834 3.542 7.429 583 1HB ALA 73 HB1 ALA 73 169.144 1.445 7.144 584 2HB ALA 73 HB2 ALA 73 169.905 1.466 5.552 585 3HB ALA 73 HB3 ALA 73 168.203 1.894 5.722 586 H ILE 74 HN ILE 74 169.528 4.259 4.009 587 HA ILE 74 HA ILE 74 172.227 3.779 3.287 588 HB ILE 74 HB ILE 74 170.774 5.944 1.859 589 1HG1 ILE 74 HG12 ILE 74 168.966 4.334 2.364 590 2HG1 ILE 74 HG11 ILE 74 169.338 4.396 0.649 591 1HG2 ILE 74 HG21 ILE 74 172.584 3.671 1.185 592 2HG2 ILE 74 HG22 ILE 74 172.755 5.388 0.827 593 3HG2 ILE 74 HG23 ILE 74 171.595 4.412 -0.071 594 1HD1 ILE 74 HD11 ILE 74 170.936 2.372 1.401 595 2HD1 ILE 74 HD12 ILE 74 169.278 2.170 0.830 596 3HD1 ILE 74 HD13 ILE 74 169.620 2.192 2.562 597 H ASN 75 HN ASN 75 170.505 6.741 4.219 598 HA ASN 75 HA ASN 75 172.641 8.520 3.962 599 1HB ASN 75 HB2 ASN 75 170.176 8.552 5.692 600 2HB ASN 75 HB1 ASN 75 171.339 9.875 5.706 601 1HD2 ASN 75 HD21 ASN 75 169.031 8.109 3.770 602 2HD2 ASN 75 HD22 ASN 75 168.825 9.322 2.558 603 H GLU 76 HN GLU 76 171.359 7.332 7.075 604 HA GLU 76 HA GLU 76 173.378 8.147 8.718 605 1HB GLU 76 HB2 GLU 76 171.223 6.277 8.868 606 2HB GLU 76 HB1 GLU 76 172.640 5.556 9.617 607 1HG GLU 76 HG2 GLU 76 172.628 8.122 10.618 608 2HG GLU 76 HG1 GLU 76 170.919 7.697 10.551 609 H LEU 77 HN LEU 77 173.358 5.345 6.608 610 HA LEU 77 HA LEU 77 175.607 4.014 7.603 611 1HB LEU 77 HB2 LEU 77 174.314 2.792 6.110 612 2HB LEU 77 HB1 LEU 77 174.221 4.105 4.955 613 HG LEU 77 HG LEU 77 176.870 2.825 5.446 614 1HD1 LEU 77 HD11 LEU 77 176.194 1.282 3.483 615 2HD1 LEU 77 HD12 LEU 77 174.546 1.587 4.029 616 3HD1 LEU 77 HD13 LEU 77 175.714 0.845 5.121 617 1HD2 LEU 77 HD21 LEU 77 177.230 4.442 3.916 618 2HD2 LEU 77 HD22 LEU 77 175.545 4.476 3.398 619 3HD2 LEU 77 HD23 LEU 77 176.629 3.224 2.792 620 H ILE 78 HN ILE 78 175.419 6.252 4.823 621 HA ILE 78 HA ILE 78 178.147 6.354 4.289 622 HB ILE 78 HB ILE 78 176.079 7.348 2.994 623 1HG1 ILE 78 HG12 ILE 78 177.652 8.727 1.666 624 2HG1 ILE 78 HG11 ILE 78 178.837 8.586 2.961 625 1HG2 ILE 78 HG21 ILE 78 175.768 9.077 4.865 626 2HG2 ILE 78 HG22 ILE 78 175.682 9.636 3.196 627 3HG2 ILE 78 HG23 ILE 78 177.148 9.903 4.141 628 1HD1 ILE 78 HD11 ILE 78 179.254 6.367 2.512 629 2HD1 ILE 78 HD12 ILE 78 178.982 7.030 0.900 630 3HD1 ILE 78 HD13 ILE 78 177.701 6.130 1.710 631 H ASN 79 HN ASN 79 176.224 8.225 6.579 632 HA ASN 79 HA ASN 79 178.079 10.188 7.246 633 1HB ASN 79 HB2 ASN 79 175.601 9.202 8.296 634 2HB ASN 79 HB1 ASN 79 176.724 9.451 9.629 635 1HD2 ASN 79 HD21 ASN 79 174.346 10.876 7.993 636 2HD2 ASN 79 HD22 ASN 79 174.797 12.536 8.155 637 H LYS 80 HN LYS 80 177.621 6.957 8.646 638 HA LYS 80 HA LYS 80 179.584 7.105 10.623 639 1HB LYS 80 HB2 LYS 80 178.753 4.664 9.045 640 2HB LYS 80 HB1 LYS 80 179.562 4.662 10.606 641 1HG LYS 80 HG2 LYS 80 176.880 5.942 10.192 642 2HG LYS 80 HG1 LYS 80 177.066 4.235 10.601 643 1HD LYS 80 HD2 LYS 80 176.780 5.230 12.677 644 2HD LYS 80 HD1 LYS 80 178.535 5.113 12.544 645 1HE LYS 80 HE2 LYS 80 178.767 7.323 12.659 646 2HE LYS 80 HE1 LYS 80 177.565 7.577 11.394 647 1HZ LYS 80 HZ1 LYS 80 175.827 7.350 13.077 648 2HZ LYS 80 HZ2 LYS 80 176.876 8.627 13.438 649 3HZ LYS 80 HZ3 LYS 80 177.003 7.166 14.281 650 H LEU 81 HN LEU 81 179.836 5.789 7.318 651 HA LEU 81 HA LEU 81 182.613 5.270 7.472 652 1HB LEU 81 HB2 LEU 81 180.728 5.618 5.154 653 2HB LEU 81 HB1 LEU 81 182.436 5.299 4.919 654 HG LEU 81 HG LEU 81 180.352 3.492 6.116 655 1HD1 LEU 81 HD11 LEU 81 181.531 1.939 4.431 656 2HD1 LEU 81 HD12 LEU 81 182.184 3.429 3.750 657 3HD1 LEU 81 HD13 LEU 81 180.439 3.180 3.817 658 1HD2 LEU 81 HD21 LEU 81 181.934 2.916 7.620 659 2HD2 LEU 81 HD22 LEU 81 183.253 3.574 6.654 660 3HD2 LEU 81 HD23 LEU 81 182.576 1.994 6.261 661 H GLU 82 HN GLU 82 180.768 8.122 6.691 662 HA GLU 82 HA GLU 82 182.654 9.615 5.299 663 1HB GLU 82 HB2 GLU 82 180.145 10.103 6.088 664 2HB GLU 82 HB1 GLU 82 180.994 11.029 7.318 665 1HG GLU 82 HG2 GLU 82 181.883 12.507 5.782 666 2HG GLU 82 HG1 GLU 82 181.674 11.389 4.434 667 H ARG 83 HN ARG 83 182.069 9.554 8.815 668 HA ARG 83 HA ARG 83 184.240 11.246 9.458 669 1HB ARG 83 HB2 ARG 83 183.929 10.379 11.775 670 2HB ARG 83 HB1 ARG 83 182.445 10.969 11.037 671 1HG ARG 83 HG2 ARG 83 181.633 8.778 10.688 672 2HG ARG 83 HG1 ARG 83 183.204 8.062 11.055 673 1HD ARG 83 HD2 ARG 83 182.656 9.506 13.324 674 2HD ARG 83 HD1 ARG 83 181.063 8.917 12.848 675 HE ARG 83 HE ARG 83 181.699 6.871 13.601 676 1HH1 ARG 83 HH11 ARG 83 184.579 8.619 12.689 677 2HH1 ARG 83 HH12 ARG 83 185.653 7.352 13.177 678 1HH2 ARG 83 HH21 ARG 83 183.111 5.204 14.244 679 2HH2 ARG 83 HH22 ARG 83 184.820 5.413 14.059 680 H GLN 84 HN GLN 84 183.910 7.740 9.224 681 HA GLN 84 HA GLN 84 186.410 7.050 10.304 682 1HB GLN 84 HB2 GLN 84 184.603 5.656 8.335 683 2HB GLN 84 HB1 GLN 84 186.101 4.938 8.908 684 1HG GLN 84 HG2 GLN 84 185.133 5.374 11.262 685 2HG GLN 84 HG1 GLN 84 183.593 5.529 10.418 686 1HE2 GLN 84 HE21 GLN 84 182.817 3.720 9.222 687 2HE2 GLN 84 HE22 GLN 84 183.300 2.116 9.647 688 H LEU 85 HN LEU 85 185.415 7.500 6.914 689 HA LEU 85 HA LEU 85 187.917 7.018 5.759 690 1HB LEU 85 HB2 LEU 85 185.369 8.203 4.925 691 2HB LEU 85 HB1 LEU 85 186.756 8.842 4.066 692 HG LEU 85 HG LEU 85 186.884 5.957 4.197 693 1HD1 LEU 85 HD11 LEU 85 184.928 5.261 3.286 694 2HD1 LEU 85 HD12 LEU 85 184.619 6.804 2.487 695 3HD1 LEU 85 HD13 LEU 85 184.310 6.627 4.215 696 1HD2 LEU 85 HD21 LEU 85 187.082 6.219 1.758 697 2HD2 LEU 85 HD22 LEU 85 188.163 7.299 2.638 698 3HD2 LEU 85 HD23 LEU 85 186.678 7.927 1.923 699 H ASN 86 HN ASN 86 186.524 9.932 7.139 700 HA ASN 86 HA ASN 86 188.372 11.804 6.188 701 1HB ASN 86 HB2 ASN 86 186.413 11.670 8.391 702 2HB ASN 86 HB1 ASN 86 187.733 12.810 8.637 703 1HD2 ASN 86 HD21 ASN 86 184.711 12.800 7.794 704 2HD2 ASN 86 HD22 ASN 86 184.679 14.007 6.556 705 H LYS 87 HN LYS 87 188.416 9.819 9.124 706 HA LYS 87 HA LYS 87 190.773 10.851 10.232 707 1HB LYS 87 HB2 LYS 87 189.584 9.573 11.736 708 2HB LYS 87 HB1 LYS 87 189.202 8.336 10.550 709 1HG LYS 87 HG2 LYS 87 190.720 7.556 12.331 710 2HG LYS 87 HG1 LYS 87 191.414 7.416 10.715 711 1HD LYS 87 HD2 LYS 87 192.467 9.718 11.204 712 2HD LYS 87 HD1 LYS 87 192.079 9.371 12.890 713 1HE LYS 87 HE2 LYS 87 193.259 7.068 12.274 714 2HE LYS 87 HE1 LYS 87 194.061 8.094 11.086 715 1HZ LYS 87 HZ1 LYS 87 194.444 9.620 13.128 716 2HZ LYS 87 HZ2 LYS 87 195.443 8.276 12.891 717 3HZ LYS 87 HZ3 LYS 87 194.185 8.206 14.021 718 H LEU 88 HN LEU 88 190.369 7.792 8.429 719 HA LEU 88 HA LEU 88 193.034 7.118 8.215 720 1HB LEU 88 HB2 LEU 88 192.228 5.393 7.066 721 2HB LEU 88 HB1 LEU 88 190.644 6.114 7.266 722 HG LEU 88 HG LEU 88 191.165 7.365 5.062 723 1HD1 LEU 88 HD11 LEU 88 193.514 5.692 5.352 724 2HD1 LEU 88 HD12 LEU 88 193.208 7.028 4.244 725 3HD1 LEU 88 HD13 LEU 88 192.675 5.399 3.828 726 1HD2 LEU 88 HD21 LEU 88 190.639 4.401 5.198 727 2HD2 LEU 88 HD22 LEU 88 190.427 5.377 3.743 728 3HD2 LEU 88 HD23 LEU 88 189.452 5.705 5.176 729 H GLN 89 HN GLN 89 191.301 9.596 6.531 730 HA GLN 89 HA GLN 89 193.359 9.906 4.505 731 1HB GLN 89 HB2 GLN 89 190.895 10.241 4.056 732 2HB GLN 89 HB1 GLN 89 190.995 11.708 5.019 733 1HG GLN 89 HG2 GLN 89 191.128 12.109 2.590 734 2HG GLN 89 HG1 GLN 89 192.535 12.694 3.476 735 1HE2 GLN 89 HE21 GLN 89 191.501 9.608 2.049 736 2HE2 GLN 89 HE22 GLN 89 192.976 9.312 1.198 737 H HIS 90 HN HIS 90 192.216 11.532 7.413 738 HA HIS 90 HA HIS 90 193.800 13.857 7.155 739 1HB HIS 90 HB2 HIS 90 191.986 12.738 9.087 740 2HB HIS 90 HB1 HIS 90 193.419 13.351 9.907 741 HD1 HIS 90 HD1 HIS 90 193.807 15.749 7.797 742 HD2 HIS 90 HD2 HIS 90 190.371 14.835 9.950 743 HE1 HIS 90 HE1 HIS 90 192.494 17.890 7.909 744 HE2 HIS 90 HE2 HIS 90 190.459 17.333 9.287 745 H LYS 91 HN LYS 91 194.255 11.095 9.374 746 HA LYS 91 HA LYS 91 197.085 11.796 9.586 747 1HB LYS 91 HB2 LYS 91 195.157 10.279 11.251 748 2HB LYS 91 HB1 LYS 91 196.825 9.726 11.285 749 1HG LYS 91 HG2 LYS 91 197.485 12.091 11.829 750 2HG LYS 91 HG1 LYS 91 195.767 12.432 12.046 751 1HD LYS 91 HD2 LYS 91 196.352 10.073 13.500 752 2HD LYS 91 HD1 LYS 91 197.607 11.254 13.884 753 1HE LYS 91 HE2 LYS 91 195.929 12.885 14.503 754 2HE LYS 91 HE1 LYS 91 194.640 11.783 14.019 755 1HZ LYS 91 HZ1 LYS 91 196.580 11.305 16.219 756 2HZ LYS 91 HZ2 LYS 91 195.328 10.264 15.763 757 3HZ LYS 91 HZ3 LYS 91 194.968 11.782 16.415 758 H GLY 92 HN GLY 92 195.864 10.484 7.192 759 1HA GLY 92 HA2 GLY 92 196.781 7.767 7.190 760 2HA GLY 92 HA1 GLY 92 196.230 8.683 5.794 761 H GLU 93 HN GLU 93 197.816 10.474 5.122 762 HA GLU 93 HA GLU 93 199.853 11.091 4.325 763 1HB GLU 93 HB2 GLU 93 200.390 10.736 6.867 764 2HB GLU 93 HB1 GLU 93 201.249 9.313 6.292 765 1HG GLU 93 HG2 GLU 93 202.796 11.122 6.500 766 2HG GLU 93 HG1 GLU 93 202.565 10.765 4.788 767 H ALA 94 HN ALA 94 200.485 7.753 5.421 768 HA ALA 94 HA ALA 94 201.242 5.914 4.315 769 1HB ALA 94 HB1 ALA 94 199.297 5.571 3.192 770 2HB ALA 94 HB2 ALA 94 200.354 5.873 1.812 771 3HB ALA 94 HB3 ALA 94 199.324 7.164 2.434 772 H ARG 95 HN ARG 95 203.440 6.471 4.389 773 HA ARG 95 HA ARG 95 204.568 7.129 1.770 774 1HB ARG 95 HB2 ARG 95 206.177 8.680 2.729 775 2HB ARG 95 HB1 ARG 95 204.540 9.225 3.067 776 1HG ARG 95 HG2 ARG 95 204.932 7.882 5.306 777 2HG ARG 95 HG1 ARG 95 206.622 8.206 4.917 778 1HD ARG 95 HD2 ARG 95 204.478 10.317 5.036 779 2HD ARG 95 HD1 ARG 95 205.549 9.925 6.379 780 HE ARG 95 HE ARG 95 207.371 10.483 4.626 781 1HH1 ARG 95 HH11 ARG 95 204.297 12.112 4.975 782 2HH1 ARG 95 HH12 ARG 95 204.885 13.612 4.346 783 1HH2 ARG 95 HH21 ARG 95 208.136 12.460 3.804 784 2HH2 ARG 95 HH22 ARG 95 207.061 13.811 3.683 785 H ARG 96 HN ARG 96 204.298 4.628 3.093 786 HA ARG 96 HA ARG 96 206.926 3.987 4.154 787 1HB ARG 96 HB2 ARG 96 204.589 2.138 3.655 788 2HB ARG 96 HB1 ARG 96 206.009 1.803 4.636 789 1HG ARG 96 HG2 ARG 96 205.335 3.274 6.325 790 2HG ARG 96 HG1 ARG 96 204.159 4.070 5.279 791 1HD ARG 96 HD2 ARG 96 203.487 1.323 5.375 792 2HD ARG 96 HD1 ARG 96 203.793 1.847 7.028 793 HE ARG 96 HE ARG 96 201.990 3.322 6.883 794 1HH1 ARG 96 HH11 ARG 96 202.473 1.626 3.864 795 2HH1 ARG 96 HH12 ARG 96 200.914 2.047 3.242 796 1HH2 ARG 96 HH21 ARG 96 199.948 3.874 6.056 797 2HH2 ARG 96 HH22 ARG 96 199.482 3.324 4.482 798 H ALA 97 HN ALA 97 208.505 3.720 2.727 799 HA ALA 97 HA ALA 97 208.046 2.912 0.021 800 1HB ALA 97 HB1 ALA 97 210.196 3.537 -0.364 801 2HB ALA 97 HB2 ALA 97 210.786 2.844 1.146 802 3HB ALA 97 HB3 ALA 97 209.947 4.395 1.156 803 H ALA 98 HN ALA 98 210.529 1.289 -0.140 804 HA ALA 98 HA ALA 98 211.294 -0.856 0.121 805 1HB ALA 98 HB1 ALA 98 210.619 -2.233 1.863 806 2HB ALA 98 HB2 ALA 98 208.985 -1.571 1.888 807 3HB ALA 98 HB3 ALA 98 210.333 -0.615 2.504 808 H THR 99 HN THR 99 207.744 -1.157 0.361 809 HA THR 99 HA THR 99 207.695 -3.211 -1.630 810 HB THR 99 HB THR 99 206.080 -3.132 0.239 811 HG1 THR 99 HG1 THR 99 205.405 -4.276 -1.530 812 1HG2 THR 99 HG21 THR 99 204.727 -0.875 -1.207 813 2HG2 THR 99 HG22 THR 99 205.753 -0.646 0.210 814 3HG2 THR 99 HG23 THR 99 204.280 -1.609 0.332 815 H SER 100 HN SER 100 207.741 -2.929 -3.751 816 HA SER 100 HA SER 100 207.330 -0.298 -4.888 817 1HB SER 100 HB2 SER 100 207.930 -1.522 -7.048 818 2HB SER 100 HB1 SER 100 209.179 -1.474 -5.803 819 HG SER 100 HG SER 100 207.417 -3.631 -6.358 820 H VAL 101 HN VAL 101 205.063 -0.101 -4.427 821 HA VAL 101 HA VAL 101 203.207 -1.922 -5.676 822 HB VAL 101 HB VAL 101 202.632 -0.861 -3.546 823 1HG1 VAL 101 HG11 VAL 101 201.820 1.671 -4.017 824 2HG1 VAL 101 HG12 VAL 101 203.239 1.587 -5.060 825 3HG1 VAL 101 HG13 VAL 101 203.390 1.247 -3.337 826 1HG2 VAL 101 HG21 VAL 101 200.466 -0.967 -4.070 827 2HG2 VAL 101 HG22 VAL 101 200.984 -1.185 -5.742 828 3HG2 VAL 101 HG23 VAL 101 200.579 0.426 -5.147 829 H LYS 102 HN LYS 102 204.926 0.863 -6.634 830 HA LYS 102 HA LYS 102 202.999 1.734 -8.605 831 1HB LYS 102 HB2 LYS 102 205.326 2.825 -7.360 832 2HB LYS 102 HB1 LYS 102 205.565 2.858 -9.102 833 1HG LYS 102 HG2 LYS 102 203.169 3.877 -9.132 834 2HG LYS 102 HG1 LYS 102 203.517 4.252 -7.443 835 1HD LYS 102 HD2 LYS 102 205.183 5.073 -9.823 836 2HD LYS 102 HD1 LYS 102 204.100 6.123 -8.905 837 1HE LYS 102 HE2 LYS 102 205.943 6.642 -7.735 838 2HE LYS 102 HE1 LYS 102 205.661 5.100 -6.927 839 1HZ LYS 102 HZ1 LYS 102 207.191 4.035 -8.413 840 2HZ LYS 102 HZ2 LYS 102 207.958 5.375 -7.725 841 3HZ LYS 102 HZ3 LYS 102 207.389 5.453 -9.316 842 H ASP 103 HN ASP 103 204.854 -0.919 -8.512 843 HA ASP 103 HA ASP 103 205.789 -0.762 -11.276 844 1HB ASP 103 HB2 ASP 103 207.052 -2.767 -10.810 845 2HB ASP 103 HB1 ASP 103 207.328 -1.611 -9.511 846 H ALA 104 HN ALA 104 202.926 -0.992 -10.497 847 HA ALA 104 HA ALA 104 202.200 -3.676 -11.341 848 1HB ALA 104 HB1 ALA 104 199.884 -2.916 -10.929 849 2HB ALA 104 HB2 ALA 104 200.512 -1.318 -10.523 850 3HB ALA 104 HB3 ALA 104 200.941 -2.714 -9.533 851 H ASN 105 HN ASN 105 203.315 -1.249 -13.077 852 HA ASN 105 HA ASN 105 201.232 -1.290 -15.135 853 1HB ASN 105 HB2 ASN 105 202.424 0.589 -16.141 854 2HB ASN 105 HB1 ASN 105 202.067 0.912 -14.448 855 1HD2 ASN 105 HD21 ASN 105 203.675 1.512 -13.170 856 2HD2 ASN 105 HD22 ASN 105 205.355 1.433 -13.566 857 H PHE 106 HN PHE 106 204.699 -1.935 -14.708 858 HA PHE 106 HA PHE 106 205.353 -2.572 -17.320 859 1HB PHE 106 HB2 PHE 106 207.320 -3.487 -16.499 860 2HB PHE 106 HB1 PHE 106 206.844 -2.412 -15.193 861 HD1 PHE 106 HD1 PHE 106 208.364 -5.343 -15.669 862 HD2 PHE 106 HD2 PHE 106 204.936 -3.835 -13.653 863 HE1 PHE 106 HE1 PHE 106 208.468 -7.230 -14.094 864 HE2 PHE 106 HE2 PHE 106 205.032 -5.718 -12.070 865 HZ PHE 106 HZ PHE 106 206.800 -7.418 -12.290 866 H VAL 107 HN VAL 107 204.869 -4.164 -18.671 867 HA VAL 107 HA VAL 107 203.364 -6.462 -17.620 868 HB VAL 107 HB VAL 107 203.490 -5.834 -20.541 869 1HG1 VAL 107 HG11 VAL 107 201.009 -6.587 -20.158 870 2HG1 VAL 107 HG12 VAL 107 201.667 -7.256 -18.666 871 3HG1 VAL 107 HG13 VAL 107 202.312 -7.775 -20.222 872 1HG2 VAL 107 HG21 VAL 107 202.939 -3.682 -19.749 873 2HG2 VAL 107 HG22 VAL 107 201.886 -4.327 -18.491 874 3HG2 VAL 107 HG23 VAL 107 201.401 -4.431 -20.183 875 H GLU 108 HN GLU 108 203.654 -8.519 -18.901 876 HA GLU 108 HA GLU 108 204.942 -10.231 -19.665 877 1HB GLU 108 HB2 GLU 108 207.038 -8.275 -20.559 878 2HB GLU 108 HB1 GLU 108 206.604 -9.823 -21.270 879 1HG GLU 108 HG2 GLU 108 204.278 -8.403 -21.500 880 2HG GLU 108 HG1 GLU 108 205.507 -7.163 -21.742 881 H GLU 109 HN GLU 109 206.591 -11.554 -18.938 882 HA GLU 109 HA GLU 109 207.904 -10.624 -16.508 883 1HB GLU 109 HB2 GLU 109 208.278 -12.947 -16.006 884 2HB GLU 109 HB1 GLU 109 206.614 -12.762 -16.539 885 1HG GLU 109 HG2 GLU 109 208.462 -13.390 -18.707 886 2HG GLU 109 HG1 GLU 109 208.390 -14.628 -17.452 887 H VAL 110 HN VAL 110 210.068 -12.526 -16.577 888 HA VAL 110 HA VAL 110 211.975 -10.969 -18.022 889 HB VAL 110 HB VAL 110 213.642 -12.558 -17.183 890 1HG1 VAL 110 HG11 VAL 110 213.231 -10.854 -15.659 891 2HG1 VAL 110 HG12 VAL 110 213.016 -12.313 -14.690 892 3HG1 VAL 110 HG13 VAL 110 211.608 -11.439 -15.293 893 1HG2 VAL 110 HG21 VAL 110 211.279 -14.229 -16.821 894 2HG2 VAL 110 HG22 VAL 110 212.329 -14.190 -15.405 895 3HG2 VAL 110 HG23 VAL 110 212.976 -14.683 -16.971 896 H GLU 111 HN GLU 111 213.779 -12.454 -19.173 897 HA GLU 111 HA GLU 111 212.370 -13.668 -21.428 898 1HB GLU 111 HB2 GLU 111 214.037 -11.852 -21.815 899 2HB GLU 111 HB1 GLU 111 215.288 -12.916 -21.190 900 1HG GLU 111 HG2 GLU 111 215.085 -12.745 -23.699 901 2HG GLU 111 HG1 GLU 111 215.123 -14.369 -23.021 902 H GLU 112 HN GLU 112 212.679 -15.090 -18.898 903 HA GLU 112 HA GLU 112 213.196 -17.166 -18.124 904 1HB GLU 112 HB2 GLU 112 212.114 -17.860 -20.223 905 2HB GLU 112 HB1 GLU 112 213.658 -17.746 -21.057 906 1HG GLU 112 HG2 GLU 112 214.436 -19.682 -20.182 907 2HG GLU 112 HG1 GLU 112 213.550 -19.487 -18.670 908 H GLU 113 HN GLU 113 215.056 -16.365 -17.033 909 HA GLU 113 HA GLU 113 217.612 -16.151 -18.166 910 1HB GLU 113 HB2 GLU 113 216.962 -15.204 -15.969 911 2HB GLU 113 HB1 GLU 113 216.906 -16.831 -15.305 912 1HG GLU 113 HG2 GLU 113 219.415 -16.690 -16.431 913 2HG GLU 113 HG1 GLU 113 219.173 -15.078 -15.763 Start of MODEL 21 1 1H MET 1 HT1 MET 1 186.063 -1.219 -6.068 2 2H MET 1 HT2 MET 1 184.378 -1.465 -6.284 3 3H MET 1 HT3 MET 1 185.012 0.127 -6.208 4 HA MET 1 HA MET 1 184.978 0.068 -8.376 5 1HB MET 1 HB2 MET 1 187.320 -1.695 -7.678 6 2HB MET 1 HB1 MET 1 187.001 -1.190 -9.332 7 1HG MET 1 HG2 MET 1 186.888 1.177 -7.958 8 2HG MET 1 HG1 MET 1 188.152 0.293 -7.106 9 1HE MET 1 HE1 MET 1 189.894 1.720 -7.464 10 2HE MET 1 HE2 MET 1 190.807 1.968 -8.954 11 3HE MET 1 HE3 MET 1 190.810 0.388 -8.173 12 H THR 2 HN THR 2 184.980 -3.178 -7.034 13 HA THR 2 HA THR 2 184.029 -4.341 -9.519 14 HB THR 2 HB THR 2 185.607 -5.609 -8.153 15 HG1 THR 2 HG1 THR 2 184.171 -6.846 -9.337 16 1HG2 THR 2 HG21 THR 2 185.384 -5.272 -5.936 17 2HG2 THR 2 HG22 THR 2 184.387 -6.721 -6.072 18 3HG2 THR 2 HG23 THR 2 183.627 -5.130 -6.019 19 H MET 3 HN MET 3 182.695 -3.014 -6.642 20 HA MET 3 HA MET 3 180.558 -2.752 -5.905 21 1HB MET 3 HB2 MET 3 180.089 -3.443 -8.791 22 2HB MET 3 HB1 MET 3 178.737 -3.209 -7.692 23 1HG MET 3 HG2 MET 3 180.315 -1.004 -7.226 24 2HG MET 3 HG1 MET 3 180.471 -1.258 -8.961 25 1HE MET 3 HE1 MET 3 177.477 0.192 -6.275 26 2HE MET 3 HE2 MET 3 178.197 -1.407 -6.083 27 3HE MET 3 HE3 MET 3 176.572 -1.246 -6.749 28 H ASN 4 HN ASN 4 180.758 -4.441 -4.388 29 HA ASN 4 HA ASN 4 179.636 -7.034 -5.187 30 1HB ASN 4 HB2 ASN 4 181.028 -6.373 -2.588 31 2HB ASN 4 HB1 ASN 4 180.675 -7.971 -3.240 32 1HD2 ASN 4 HD21 ASN 4 183.091 -5.923 -2.691 33 2HD2 ASN 4 HD22 ASN 4 184.169 -6.346 -3.973 34 H ILE 5 HN ILE 5 177.500 -7.117 -4.939 35 HA ILE 5 HA ILE 5 176.330 -5.961 -2.489 36 HB ILE 5 HB ILE 5 175.116 -6.250 -5.241 37 1HG1 ILE 5 HG12 ILE 5 174.804 -3.795 -5.007 38 2HG1 ILE 5 HG11 ILE 5 175.658 -3.858 -3.470 39 1HG2 ILE 5 HG21 ILE 5 173.269 -6.769 -3.990 40 2HG2 ILE 5 HG22 ILE 5 173.168 -5.008 -3.981 41 3HG2 ILE 5 HG23 ILE 5 173.828 -5.860 -2.585 42 1HD1 ILE 5 HD11 ILE 5 176.825 -3.270 -5.809 43 2HD1 ILE 5 HD12 ILE 5 177.081 -5.015 -5.767 44 3HD1 ILE 5 HD13 ILE 5 177.673 -4.005 -4.449 45 H THR 6 HN THR 6 175.608 -7.422 -1.094 46 HA THR 6 HA THR 6 174.375 -9.881 -2.088 47 HB THR 6 HB THR 6 175.718 -10.795 0.132 48 HG1 THR 6 HG1 THR 6 177.134 -9.172 0.352 49 1HG2 THR 6 HG21 THR 6 175.865 -11.206 -2.715 50 2HG2 THR 6 HG22 THR 6 176.087 -12.353 -1.393 51 3HG2 THR 6 HG23 THR 6 177.446 -11.378 -1.955 52 H SER 7 HN SER 7 172.381 -9.068 -1.456 53 HA SER 7 HA SER 7 171.988 -8.357 1.349 54 1HB SER 7 HB2 SER 7 170.312 -8.118 -1.132 55 2HB SER 7 HB1 SER 7 169.574 -7.985 0.469 56 HG SER 7 HG SER 7 171.483 -6.319 -0.765 57 H LYS 8 HN LYS 8 169.899 -9.196 2.343 58 HA LYS 8 HA LYS 8 170.001 -12.078 2.298 59 1HB LYS 8 HB2 LYS 8 169.369 -10.132 4.204 60 2HB LYS 8 HB1 LYS 8 167.848 -10.950 3.895 61 1HG LYS 8 HG2 LYS 8 170.135 -12.744 4.248 62 2HG LYS 8 HG1 LYS 8 169.739 -11.771 5.664 63 1HD LYS 8 HD2 LYS 8 168.289 -13.444 6.086 64 2HD LYS 8 HD1 LYS 8 167.273 -12.588 4.925 65 1HE LYS 8 HE2 LYS 8 167.415 -15.003 4.457 66 2HE LYS 8 HE1 LYS 8 168.048 -14.020 3.137 67 1HZ LYS 8 HZ1 LYS 8 170.145 -14.749 3.475 68 2HZ LYS 8 HZ2 LYS 8 169.344 -16.096 4.112 69 3HZ LYS 8 HZ3 LYS 8 169.959 -14.910 5.150 70 H GLN 9 HN GLN 9 167.083 -12.284 2.989 71 HA GLN 9 HA GLN 9 166.070 -13.140 0.587 72 1HB GLN 9 HB2 GLN 9 163.890 -13.155 1.620 73 2HB GLN 9 HB1 GLN 9 165.090 -13.637 2.810 74 1HG GLN 9 HG2 GLN 9 164.278 -10.777 2.666 75 2HG GLN 9 HG1 GLN 9 163.190 -11.945 3.414 76 1HE2 GLN 9 HE21 GLN 9 165.611 -9.811 4.001 77 2HE2 GLN 9 HE22 GLN 9 166.210 -10.452 5.490 78 H MET 10 HN MET 10 166.155 -9.895 1.862 79 HA MET 10 HA MET 10 164.344 -8.866 -0.149 80 1HB MET 10 HB2 MET 10 164.315 -7.854 2.061 81 2HB MET 10 HB1 MET 10 166.025 -7.466 1.939 82 1HG MET 10 HG2 MET 10 164.694 -5.494 1.555 83 2HG MET 10 HG1 MET 10 165.540 -5.950 0.078 84 1HE MET 10 HE1 MET 10 161.756 -4.397 -0.504 85 2HE MET 10 HE2 MET 10 163.431 -3.895 -0.274 86 3HE MET 10 HE3 MET 10 162.452 -4.364 1.117 87 H GLU 11 HN GLU 11 165.047 -8.689 -2.170 88 HA GLU 11 HA GLU 11 167.790 -8.532 -2.887 89 1HB GLU 11 HB2 GLU 11 167.023 -8.370 -5.154 90 2HB GLU 11 HB1 GLU 11 165.977 -9.506 -4.316 91 1HG GLU 11 HG2 GLU 11 164.400 -7.533 -3.972 92 2HG GLU 11 HG1 GLU 11 165.375 -6.701 -5.182 93 H ILE 12 HN ILE 12 167.892 -6.633 -4.904 94 HA ILE 12 HA ILE 12 167.971 -4.168 -3.315 95 HB ILE 12 HB ILE 12 169.231 -4.422 -6.021 96 1HG1 ILE 12 HG12 ILE 12 170.102 -6.367 -4.946 97 2HG1 ILE 12 HG11 ILE 12 171.342 -5.126 -4.812 98 1HG2 ILE 12 HG21 ILE 12 170.539 -3.026 -3.781 99 2HG2 ILE 12 HG22 ILE 12 169.013 -2.339 -4.336 100 3HG2 ILE 12 HG23 ILE 12 170.350 -2.546 -5.468 101 1HD1 ILE 12 HD11 ILE 12 171.407 -5.533 -2.641 102 2HD1 ILE 12 HD12 ILE 12 170.009 -6.602 -2.751 103 3HD1 ILE 12 HD13 ILE 12 169.779 -4.869 -2.514 104 H THR 13 HN THR 13 166.225 -2.936 -3.527 105 HA THR 13 HA THR 13 164.541 -3.030 -5.846 106 HB THR 13 HB THR 13 163.190 -1.364 -4.687 107 HG1 THR 13 HG1 THR 13 165.474 -1.140 -3.055 108 1HG2 THR 13 HG21 THR 13 164.236 -3.519 -2.878 109 2HG2 THR 13 HG22 THR 13 162.773 -3.540 -3.862 110 3HG2 THR 13 HG23 THR 13 162.881 -2.471 -2.464 111 HA PRO 14 HA PRO 14 166.135 0.089 -8.495 112 1HB PRO 14 HB2 PRO 14 163.900 1.775 -8.700 113 2HB PRO 14 HB1 PRO 14 164.269 0.396 -9.739 114 1HG PRO 14 HG2 PRO 14 162.439 0.568 -7.394 115 2HG PRO 14 HG1 PRO 14 162.272 -0.372 -8.887 116 1HD PRO 14 HD2 PRO 14 162.972 -1.539 -6.586 117 2HD PRO 14 HD1 PRO 14 163.683 -2.056 -8.129 118 H ALA 15 HN ALA 15 164.144 1.400 -5.855 119 HA ALA 15 HA ALA 15 165.295 3.962 -5.808 120 1HB ALA 15 HB1 ALA 15 163.157 2.981 -4.644 121 2HB ALA 15 HB2 ALA 15 164.015 4.357 -3.950 122 3HB ALA 15 HB3 ALA 15 164.268 2.738 -3.297 123 H ILE 16 HN ILE 16 166.090 1.020 -3.988 124 HA ILE 16 HA ILE 16 168.118 2.224 -2.412 125 HB ILE 16 HB ILE 16 167.680 -0.683 -3.109 126 1HG1 ILE 16 HG12 ILE 16 166.999 0.827 -0.578 127 2HG1 ILE 16 HG11 ILE 16 165.846 0.503 -1.868 128 1HG2 ILE 16 HG21 ILE 16 169.891 0.583 -1.817 129 2HG2 ILE 16 HG22 ILE 16 169.616 -1.133 -2.118 130 3HG2 ILE 16 HG23 ILE 16 169.017 -0.391 -0.636 131 1HD1 ILE 16 HD11 ILE 16 167.158 -1.922 -1.065 132 2HD1 ILE 16 HD12 ILE 16 165.440 -1.518 -1.071 133 3HD1 ILE 16 HD13 ILE 16 166.439 -1.107 0.325 134 H ARG 17 HN ARG 17 168.259 0.200 -5.347 135 HA ARG 17 HA ARG 17 171.033 0.138 -5.608 136 1HB ARG 17 HB2 ARG 17 170.697 -0.579 -7.849 137 2HB ARG 17 HB1 ARG 17 169.355 -1.220 -6.912 138 1HG ARG 17 HG2 ARG 17 167.838 -0.082 -8.081 139 2HG ARG 17 HG1 ARG 17 168.811 1.388 -8.121 140 1HD ARG 17 HD2 ARG 17 168.890 0.866 -10.328 141 2HD ARG 17 HD1 ARG 17 170.264 -0.091 -9.778 142 HE ARG 17 HE ARG 17 167.572 -1.240 -10.129 143 1HH1 ARG 17 HH11 ARG 17 171.037 -1.384 -10.606 144 2HH1 ARG 17 HH12 ARG 17 170.989 -2.949 -11.338 145 1HH2 ARG 17 HH21 ARG 17 167.524 -3.294 -11.092 146 2HH2 ARG 17 HH22 ARG 17 169.000 -4.033 -11.614 147 H GLN 18 HN GLN 18 168.775 2.683 -6.275 148 HA GLN 18 HA GLN 18 170.534 4.207 -7.951 149 1HB GLN 18 HB2 GLN 18 167.852 4.272 -7.486 150 2HB GLN 18 HB1 GLN 18 168.390 5.637 -6.518 151 1HG GLN 18 HG2 GLN 18 169.084 5.264 -9.419 152 2HG GLN 18 HG1 GLN 18 167.705 6.200 -8.846 153 1HE2 GLN 18 HE21 GLN 18 170.331 6.821 -10.266 154 2HE2 GLN 18 HE22 GLN 18 170.965 8.164 -9.383 155 H HIS 19 HN HIS 19 169.499 4.417 -4.556 156 HA HIS 19 HA HIS 19 170.975 6.699 -3.885 157 1HB HIS 19 HB2 HIS 19 169.429 4.705 -2.498 158 2HB HIS 19 HB1 HIS 19 170.896 5.061 -1.591 159 HD1 HIS 19 HD1 HIS 19 168.527 7.350 -3.509 160 HD2 HIS 19 HD2 HIS 19 170.192 6.884 0.270 161 HE1 HIS 19 HE1 HIS 19 167.703 9.309 -2.162 162 HE2 HIS 19 HE2 HIS 19 168.683 8.980 0.132 163 H VAL 20 HN VAL 20 171.805 3.263 -3.389 164 HA VAL 20 HA VAL 20 174.369 3.680 -2.358 165 HB VAL 20 HB VAL 20 173.372 1.339 -3.993 166 1HG1 VAL 20 HG11 VAL 20 175.915 1.857 -2.553 167 2HG1 VAL 20 HG12 VAL 20 175.608 0.910 -4.009 168 3HG1 VAL 20 HG13 VAL 20 175.218 0.242 -2.424 169 1HG2 VAL 20 HG21 VAL 20 173.672 1.192 -1.052 170 2HG2 VAL 20 HG22 VAL 20 172.474 0.446 -2.111 171 3HG2 VAL 20 HG23 VAL 20 172.325 2.148 -1.670 172 H ALA 21 HN ALA 21 173.258 3.315 -5.698 173 HA ALA 21 HA ALA 21 175.716 3.177 -6.989 174 1HB ALA 21 HB1 ALA 21 174.261 4.533 -8.804 175 2HB ALA 21 HB2 ALA 21 172.973 3.945 -7.752 176 3HB ALA 21 HB3 ALA 21 174.085 2.804 -8.505 177 H ASP 22 HN ASP 22 173.954 5.959 -5.759 178 HA ASP 22 HA ASP 22 175.673 7.905 -6.963 179 1HB ASP 22 HB2 ASP 22 173.234 7.908 -5.472 180 2HB ASP 22 HB1 ASP 22 174.365 9.006 -4.688 181 H ARG 23 HN ARG 23 175.332 6.566 -3.690 182 HA ARG 23 HA ARG 23 177.382 8.080 -2.500 183 1HB ARG 23 HB2 ARG 23 175.879 5.613 -1.812 184 2HB ARG 23 HB1 ARG 23 177.400 5.877 -0.970 185 1HG ARG 23 HG2 ARG 23 175.848 6.853 0.435 186 2HG ARG 23 HG1 ARG 23 176.465 8.229 -0.480 187 1HD ARG 23 HD2 ARG 23 174.335 7.225 -1.986 188 2HD ARG 23 HD1 ARG 23 173.783 7.187 -0.313 189 HE ARG 23 HE ARG 23 174.275 9.513 -1.926 190 1HH1 ARG 23 HH11 ARG 23 174.080 8.286 1.335 191 2HH1 ARG 23 HH12 ARG 23 173.719 9.831 2.028 192 1HH2 ARG 23 HH21 ARG 23 173.800 11.546 -1.017 193 2HH2 ARG 23 HH22 ARG 23 173.558 11.682 0.691 194 H LEU 24 HN LEU 24 177.406 4.849 -3.972 195 HA LEU 24 HA LEU 24 180.077 4.212 -3.430 196 1HB LEU 24 HB2 LEU 24 177.941 3.034 -4.791 197 2HB LEU 24 HB1 LEU 24 179.197 3.203 -6.003 198 HG LEU 24 HG LEU 24 179.410 1.035 -5.032 199 1HD1 LEU 24 HD11 LEU 24 181.475 2.571 -5.362 200 2HD1 LEU 24 HD12 LEU 24 181.657 1.040 -4.506 201 3HD1 LEU 24 HD13 LEU 24 181.550 2.549 -3.600 202 1HD2 LEU 24 HD21 LEU 24 178.982 2.508 -2.495 203 2HD2 LEU 24 HD22 LEU 24 180.039 1.097 -2.451 204 3HD2 LEU 24 HD23 LEU 24 178.374 0.935 -3.012 205 H ALA 25 HN ALA 25 178.613 5.852 -6.213 206 HA ALA 25 HA ALA 25 180.968 6.130 -7.727 207 1HB ALA 25 HB1 ALA 25 179.566 8.215 -8.603 208 2HB ALA 25 HB2 ALA 25 178.278 7.373 -7.740 209 3HB ALA 25 HB3 ALA 25 179.158 6.555 -9.033 210 H LYS 26 HN LYS 26 179.483 8.185 -5.267 211 HA LYS 26 HA LYS 26 181.207 10.394 -5.563 212 1HB LYS 26 HB2 LYS 26 179.088 9.593 -3.808 213 2HB LYS 26 HB1 LYS 26 180.425 10.202 -2.842 214 1HG LYS 26 HG2 LYS 26 180.049 12.311 -3.452 215 2HG LYS 26 HG1 LYS 26 179.837 11.877 -5.150 216 1HD LYS 26 HD2 LYS 26 177.664 11.062 -3.326 217 2HD LYS 26 HD1 LYS 26 177.850 12.800 -3.576 218 1HE LYS 26 HE2 LYS 26 177.998 12.076 -6.105 219 2HE LYS 26 HE1 LYS 26 177.122 10.662 -5.519 220 1HZ LYS 26 HZ1 LYS 26 176.250 13.446 -5.704 221 2HZ LYS 26 HZ2 LYS 26 175.660 12.531 -4.408 222 3HZ LYS 26 HZ3 LYS 26 175.386 12.020 -5.996 223 H LEU 27 HN LEU 27 181.445 7.417 -3.713 224 HA LEU 27 HA LEU 27 183.691 8.149 -2.159 225 1HB LEU 27 HB2 LEU 27 181.996 5.948 -2.347 226 2HB LEU 27 HB1 LEU 27 183.571 5.315 -2.786 227 HG LEU 27 HG LEU 27 183.326 4.978 -0.452 228 1HD1 LEU 27 HD11 LEU 27 185.424 6.342 -1.487 229 2HD1 LEU 27 HD12 LEU 27 185.336 5.756 0.173 230 3HD1 LEU 27 HD13 LEU 27 184.919 7.430 -0.193 231 1HD2 LEU 27 HD21 LEU 27 182.111 7.666 -0.535 232 2HD2 LEU 27 HD22 LEU 27 183.053 7.276 0.903 233 3HD2 LEU 27 HD23 LEU 27 181.690 6.257 0.437 234 H GLU 28 HN GLU 28 183.326 7.075 -5.435 235 HA GLU 28 HA GLU 28 185.871 6.031 -5.926 236 1HB GLU 28 HB2 GLU 28 183.588 6.652 -7.439 237 2HB GLU 28 HB1 GLU 28 184.901 7.551 -8.187 238 1HG GLU 28 HG2 GLU 28 184.634 5.377 -9.222 239 2HG GLU 28 HG1 GLU 28 186.193 5.498 -8.407 240 H LYS 29 HN LYS 29 184.788 9.293 -5.485 241 HA LYS 29 HA LYS 29 187.430 10.304 -6.288 242 1HB LYS 29 HB2 LYS 29 186.294 12.552 -6.303 243 2HB LYS 29 HB1 LYS 29 185.726 11.420 -7.523 244 1HG LYS 29 HG2 LYS 29 183.815 10.870 -6.017 245 2HG LYS 29 HG1 LYS 29 184.352 12.171 -4.954 246 1HD LYS 29 HD2 LYS 29 183.926 13.816 -6.591 247 2HD LYS 29 HD1 LYS 29 183.772 12.613 -7.872 248 1HE LYS 29 HE2 LYS 29 181.643 12.062 -7.288 249 2HE LYS 29 HE1 LYS 29 181.909 12.399 -5.578 250 1HZ LYS 29 HZ1 LYS 29 181.355 14.561 -5.825 251 2HZ LYS 29 HZ2 LYS 29 180.471 13.967 -7.140 252 3HZ LYS 29 HZ3 LYS 29 181.985 14.679 -7.391 253 H TRP 30 HN TRP 30 186.661 8.995 -3.720 254 HA TRP 30 HA TRP 30 187.030 11.209 -1.831 255 1HB TRP 30 HB2 TRP 30 185.695 8.628 -1.725 256 2HB TRP 30 HB1 TRP 30 186.797 8.841 -0.369 257 HD1 TRP 30 HD1 TRP 30 183.501 10.080 -1.773 258 HE1 TRP 30 HE1 TRP 30 182.355 11.588 -0.032 259 HE3 TRP 30 HE3 TRP 30 187.342 10.523 1.573 260 HZ2 TRP 30 HZ2 TRP 30 182.990 12.803 2.436 261 HZ3 TRP 30 HZ3 TRP 30 186.989 11.877 3.598 262 HH2 TRP 30 HH2 TRP 30 184.858 12.994 4.017 263 H GLN 31 HN GLN 31 189.139 10.158 -3.613 264 HA GLN 31 HA GLN 31 191.307 9.458 -3.583 265 1HB GLN 31 HB2 GLN 31 191.063 10.855 -0.924 266 2HB GLN 31 HB1 GLN 31 192.599 10.286 -1.563 267 1HG GLN 31 HG2 GLN 31 191.782 11.682 -3.674 268 2HG GLN 31 HG1 GLN 31 190.909 12.557 -2.417 269 1HE2 GLN 31 HE21 GLN 31 192.204 14.385 -2.894 270 2HE2 GLN 31 HE22 GLN 31 193.821 14.505 -2.295 271 H THR 32 HN THR 32 189.182 7.665 -2.180 272 HA THR 32 HA THR 32 190.751 6.186 -0.272 273 HB THR 32 HB THR 32 188.068 5.621 -1.546 274 HG1 THR 32 HG1 THR 32 187.439 6.970 -0.093 275 1HG2 THR 32 HG21 THR 32 187.694 3.906 0.037 276 2HG2 THR 32 HG22 THR 32 189.210 4.252 0.867 277 3HG2 THR 32 HG23 THR 32 189.232 3.553 -0.751 278 H HIS 33 HN HIS 33 189.020 4.913 -3.078 279 HA HIS 33 HA HIS 33 190.106 3.977 -5.011 280 1HB HIS 33 HB2 HIS 33 192.153 3.136 -2.972 281 2HB HIS 33 HB1 HIS 33 192.017 2.321 -4.518 282 HD1 HIS 33 HD1 HIS 33 193.478 3.228 -6.272 283 HD2 HIS 33 HD2 HIS 33 192.518 6.111 -3.439 284 HE1 HIS 33 HE1 HIS 33 194.748 5.289 -6.952 285 HE2 HIS 33 HE2 HIS 33 194.278 6.962 -5.131 286 H LEU 34 HN LEU 34 188.414 3.083 -2.443 287 HA LEU 34 HA LEU 34 188.118 0.634 -1.783 288 1HB LEU 34 HB2 LEU 34 185.654 0.646 -2.703 289 2HB LEU 34 HB1 LEU 34 186.157 1.692 -1.394 290 HG LEU 34 HG LEU 34 184.683 2.705 -3.200 291 1HD1 LEU 34 HD11 LEU 34 185.426 4.716 -2.580 292 2HD1 LEU 34 HD12 LEU 34 187.072 4.396 -3.127 293 3HD1 LEU 34 HD13 LEU 34 186.531 3.799 -1.557 294 1HD2 LEU 34 HD21 LEU 34 187.267 2.570 -4.745 295 2HD2 LEU 34 HD22 LEU 34 185.877 3.558 -5.187 296 3HD2 LEU 34 HD23 LEU 34 185.737 1.801 -5.164 297 H ILE 35 HN ILE 35 188.664 -1.262 -2.560 298 HA ILE 35 HA ILE 35 188.530 -1.762 -5.432 299 HB ILE 35 HB ILE 35 189.509 -3.893 -3.623 300 1HG1 ILE 35 HG12 ILE 35 190.453 -1.909 -2.533 301 2HG1 ILE 35 HG11 ILE 35 191.710 -2.833 -3.345 302 1HG2 ILE 35 HG21 ILE 35 190.844 -2.744 -6.049 303 2HG2 ILE 35 HG22 ILE 35 189.481 -3.856 -6.178 304 3HG2 ILE 35 HG23 ILE 35 190.967 -4.373 -5.382 305 1HD1 ILE 35 HD11 ILE 35 190.590 -0.795 -5.064 306 2HD1 ILE 35 HD12 ILE 35 192.268 -1.110 -4.620 307 3HD1 ILE 35 HD13 ILE 35 191.249 -0.126 -3.570 308 H ASN 36 HN ASN 36 187.643 -3.528 -2.460 309 HA ASN 36 HA ASN 36 185.512 -4.856 -3.992 310 1HB ASN 36 HB2 ASN 36 187.413 -5.783 -1.980 311 2HB ASN 36 HB1 ASN 36 185.753 -6.229 -1.596 312 1HD2 ASN 36 HD21 ASN 36 188.129 -7.786 -2.502 313 2HD2 ASN 36 HD22 ASN 36 187.576 -8.677 -3.874 314 HA PRO 37 HA PRO 37 183.282 -2.036 -1.072 315 1HB PRO 37 HB2 PRO 37 181.451 -1.149 -2.836 316 2HB PRO 37 HB1 PRO 37 183.074 -0.448 -2.742 317 1HG PRO 37 HG2 PRO 37 182.002 -2.491 -4.656 318 2HG PRO 37 HG1 PRO 37 182.998 -1.062 -4.990 319 1HD PRO 37 HD2 PRO 37 184.034 -3.566 -4.801 320 2HD PRO 37 HD1 PRO 37 184.943 -2.113 -4.340 321 H HIS 38 HN HIS 38 182.406 -3.696 0.152 322 HA HIS 38 HA HIS 38 180.353 -5.401 -0.984 323 1HB HIS 38 HB2 HIS 38 182.213 -5.695 1.078 324 2HB HIS 38 HB1 HIS 38 180.657 -5.605 1.897 325 HD1 HIS 38 HD1 HIS 38 182.489 -8.197 1.619 326 HD2 HIS 38 HD2 HIS 38 179.100 -7.318 -0.618 327 HE1 HIS 38 HE1 HIS 38 181.641 -10.411 0.782 328 HE2 HIS 38 HE2 HIS 38 179.638 -9.847 -0.638 329 H ILE 39 HN ILE 39 178.222 -5.140 -0.774 330 HA ILE 39 HA ILE 39 177.228 -3.192 1.194 331 HB ILE 39 HB ILE 39 176.489 -3.355 -1.728 332 1HG1 ILE 39 HG12 ILE 39 176.961 -0.860 -1.535 333 2HG1 ILE 39 HG11 ILE 39 177.629 -1.203 0.058 334 1HG2 ILE 39 HG21 ILE 39 174.984 -2.173 0.572 335 2HG2 ILE 39 HG22 ILE 39 174.384 -3.116 -0.792 336 3HG2 ILE 39 HG23 ILE 39 174.881 -1.441 -1.029 337 1HD1 ILE 39 HD11 ILE 39 178.767 -2.966 -1.894 338 2HD1 ILE 39 HD12 ILE 39 179.558 -1.807 -0.825 339 3HD1 ILE 39 HD13 ILE 39 178.945 -1.285 -2.395 340 H ILE 40 HN ILE 40 176.204 -4.497 2.591 341 HA ILE 40 HA ILE 40 174.325 -6.489 1.504 342 HB ILE 40 HB ILE 40 175.674 -6.449 4.210 343 1HG1 ILE 40 HG12 ILE 40 176.685 -8.612 3.279 344 2HG1 ILE 40 HG11 ILE 40 176.131 -8.062 1.701 345 1HG2 ILE 40 HG21 ILE 40 173.275 -7.704 3.398 346 2HG2 ILE 40 HG22 ILE 40 174.148 -7.894 4.918 347 3HG2 ILE 40 HG23 ILE 40 174.498 -8.964 3.562 348 1HD1 ILE 40 HD11 ILE 40 177.557 -5.947 2.970 349 2HD1 ILE 40 HD12 ILE 40 177.939 -6.814 1.483 350 3HD1 ILE 40 HD13 ILE 40 178.523 -7.421 3.033 351 H LEU 41 HN LEU 41 172.555 -5.132 1.289 352 HA LEU 41 HA LEU 41 171.527 -3.907 3.761 353 1HB LEU 41 HB2 LEU 41 171.580 -2.136 2.333 354 2HB LEU 41 HB1 LEU 41 171.450 -3.142 0.905 355 HG LEU 41 HG LEU 41 169.013 -2.975 2.572 356 1HD1 LEU 41 HD11 LEU 41 169.741 -0.683 2.738 357 2HD1 LEU 41 HD12 LEU 41 168.394 -0.792 1.605 358 3HD1 LEU 41 HD13 LEU 41 170.042 -0.619 1.001 359 1HD2 LEU 41 HD21 LEU 41 169.618 -3.960 0.115 360 2HD2 LEU 41 HD22 LEU 41 168.975 -2.369 -0.302 361 3HD2 LEU 41 HD23 LEU 41 167.997 -3.499 0.638 362 H SER 42 HN SER 42 170.168 -5.278 4.740 363 HA SER 42 HA SER 42 168.268 -6.775 3.062 364 1HB SER 42 HB2 SER 42 169.040 -7.486 5.887 365 2HB SER 42 HB1 SER 42 168.254 -8.503 4.681 366 HG SER 42 HG SER 42 170.866 -8.173 5.140 367 H LYS 43 HN LYS 43 166.160 -7.237 4.086 368 HA LYS 43 HA LYS 43 165.181 -4.850 5.477 369 1HB LYS 43 HB2 LYS 43 163.987 -5.272 3.452 370 2HB LYS 43 HB1 LYS 43 163.796 -6.974 3.843 371 1HG LYS 43 HG2 LYS 43 162.629 -5.394 5.920 372 2HG LYS 43 HG1 LYS 43 162.014 -4.858 4.356 373 1HD LYS 43 HD2 LYS 43 161.969 -7.669 5.452 374 2HD LYS 43 HD1 LYS 43 160.584 -6.598 5.230 375 1HE LYS 43 HE2 LYS 43 161.694 -6.631 2.732 376 2HE LYS 43 HE1 LYS 43 162.008 -8.272 3.294 377 1HZ LYS 43 HZ1 LYS 43 159.331 -7.325 3.819 378 2HZ LYS 43 HZ2 LYS 43 159.850 -8.802 3.177 379 3HZ LYS 43 HZ3 LYS 43 159.708 -7.450 2.173 380 H GLU 44 HN GLU 44 165.129 -5.046 7.617 381 HA GLU 44 HA GLU 44 164.425 -7.658 8.768 382 1HB GLU 44 HB2 GLU 44 166.463 -5.719 9.412 383 2HB GLU 44 HB1 GLU 44 165.436 -6.010 10.806 384 1HG GLU 44 HG2 GLU 44 167.423 -7.470 10.716 385 2HG GLU 44 HG1 GLU 44 165.900 -8.357 10.742 386 HA PRO 45 HA PRO 45 160.411 -6.459 10.163 387 1HB PRO 45 HB2 PRO 45 161.237 -7.195 12.878 388 2HB PRO 45 HB1 PRO 45 159.987 -7.900 11.860 389 1HG PRO 45 HG2 PRO 45 162.657 -8.852 12.340 390 2HG PRO 45 HG1 PRO 45 161.374 -9.614 11.392 391 1HD PRO 45 HD2 PRO 45 163.711 -8.586 10.346 392 2HD PRO 45 HD1 PRO 45 162.215 -8.829 9.424 393 H GLN 46 HN GLN 46 162.923 -5.777 12.600 394 HA GLN 46 HA GLN 46 161.571 -3.288 13.272 395 1HB GLN 46 HB2 GLN 46 162.651 -5.158 14.850 396 2HB GLN 46 HB1 GLN 46 164.054 -4.107 14.672 397 1HG GLN 46 HG2 GLN 46 162.732 -3.581 16.667 398 2HG GLN 46 HG1 GLN 46 162.811 -2.230 15.538 399 1HE2 GLN 46 HE21 GLN 46 160.790 -5.129 15.492 400 2HE2 GLN 46 HE22 GLN 46 159.280 -4.295 15.544 401 H GLY 47 HN GLY 47 162.747 -3.175 10.742 402 1HA GLY 47 HA2 GLY 47 163.762 -1.037 10.050 403 2HA GLY 47 HA1 GLY 47 164.986 -1.317 11.273 404 H PHE 48 HN PHE 48 165.678 -0.700 8.716 405 HA PHE 48 HA PHE 48 166.298 -3.087 7.213 406 1HB PHE 48 HB2 PHE 48 166.684 -0.154 6.854 407 2HB PHE 48 HB1 PHE 48 167.796 -1.218 6.007 408 HD1 PHE 48 HD1 PHE 48 164.915 -3.085 6.145 409 HD2 PHE 48 HD2 PHE 48 166.454 0.420 4.284 410 HE1 PHE 48 HE1 PHE 48 163.279 -3.335 4.326 411 HE2 PHE 48 HE2 PHE 48 164.818 0.176 2.467 412 HZ PHE 48 HZ PHE 48 163.227 -1.700 2.486 413 H VAL 49 HN VAL 49 168.298 -4.030 6.968 414 HA VAL 49 HA VAL 49 170.323 -3.231 8.950 415 HB VAL 49 HB VAL 49 170.077 -5.935 7.626 416 1HG1 VAL 49 HG11 VAL 49 171.499 -6.632 9.543 417 2HG1 VAL 49 HG12 VAL 49 171.645 -4.934 10.000 418 3HG1 VAL 49 HG13 VAL 49 172.288 -5.489 8.455 419 1HG2 VAL 49 HG21 VAL 49 168.570 -4.769 9.837 420 2HG2 VAL 49 HG22 VAL 49 169.371 -6.282 10.257 421 3HG2 VAL 49 HG23 VAL 49 168.256 -6.224 8.892 422 H ALA 50 HN ALA 50 171.293 -1.684 7.575 423 HA ALA 50 HA ALA 50 172.413 -2.602 5.050 424 1HB ALA 50 HB1 ALA 50 173.181 -0.227 4.849 425 2HB ALA 50 HB2 ALA 50 172.359 0.100 6.374 426 3HB ALA 50 HB3 ALA 50 171.433 -0.434 4.971 427 H ASP 51 HN ASP 51 174.118 -3.922 5.431 428 HA ASP 51 HA ASP 51 176.249 -2.933 7.203 429 1HB ASP 51 HB2 ASP 51 175.948 -5.753 6.168 430 2HB ASP 51 HB1 ASP 51 176.972 -5.192 7.485 431 H ALA 52 HN ALA 52 177.185 -1.544 5.664 432 HA ALA 52 HA ALA 52 178.166 -2.718 3.181 433 1HB ALA 52 HB1 ALA 52 177.137 -0.284 3.656 434 2HB ALA 52 HB2 ALA 52 178.261 -0.624 2.339 435 3HB ALA 52 HB3 ALA 52 178.854 0.073 3.848 436 H THR 53 HN THR 53 180.228 -3.238 2.788 437 HA THR 53 HA THR 53 182.296 -2.392 4.692 438 HB THR 53 HB THR 53 182.707 -5.100 3.662 439 HG1 THR 53 HG1 THR 53 180.457 -5.213 3.942 440 1HG2 THR 53 HG21 THR 53 184.106 -4.350 5.415 441 2HG2 THR 53 HG22 THR 53 183.040 -5.582 6.090 442 3HG2 THR 53 HG23 THR 53 182.725 -3.874 6.403 443 H ILE 54 HN ILE 54 183.383 -1.033 3.361 444 HA ILE 54 HA ILE 54 184.075 -1.963 0.671 445 HB ILE 54 HB ILE 54 184.979 0.729 1.402 446 1HG1 ILE 54 HG12 ILE 54 182.034 0.043 1.446 447 2HG1 ILE 54 HG11 ILE 54 182.967 0.842 2.706 448 1HG2 ILE 54 HG21 ILE 54 183.145 -0.084 -0.829 449 2HG2 ILE 54 HG22 ILE 54 184.877 -0.412 -0.878 450 3HG2 ILE 54 HG23 ILE 54 184.296 1.250 -0.776 451 1HD1 ILE 54 HD11 ILE 54 183.263 2.780 1.239 452 2HD1 ILE 54 HD12 ILE 54 181.562 2.426 1.541 453 3HD1 ILE 54 HD13 ILE 54 182.295 1.977 0.003 454 H ASN 55 HN ASN 55 186.074 -2.547 0.116 455 HA ASN 55 HA ASN 55 188.121 -2.534 2.186 456 1HB ASN 55 HB2 ASN 55 187.567 -4.611 0.897 457 2HB ASN 55 HB1 ASN 55 188.220 -3.832 -0.540 458 1HD2 ASN 55 HD21 ASN 55 188.907 -5.662 2.199 459 2HD2 ASN 55 HD22 ASN 55 190.632 -5.626 2.100 460 H THR 56 HN THR 56 189.111 -0.595 2.278 461 HA THR 56 HA THR 56 189.949 0.737 -0.181 462 HB THR 56 HB THR 56 190.341 2.659 1.134 463 HG1 THR 56 HG1 THR 56 190.794 2.621 3.241 464 1HG2 THR 56 HG21 THR 56 187.914 1.929 1.033 465 2HG2 THR 56 HG22 THR 56 188.354 3.096 2.279 466 3HG2 THR 56 HG23 THR 56 188.123 1.399 2.702 467 HA PRO 57 HA PRO 57 194.161 -0.550 -0.187 468 1HB PRO 57 HB2 PRO 57 195.506 1.872 -0.311 469 2HB PRO 57 HB1 PRO 57 194.830 1.012 -1.698 470 1HG PRO 57 HG2 PRO 57 193.668 3.271 -0.118 471 2HG PRO 57 HG1 PRO 57 193.662 3.010 -1.871 472 1HD PRO 57 HD2 PRO 57 191.485 2.508 -0.420 473 2HD PRO 57 HD1 PRO 57 191.951 1.423 -1.748 474 H ASN 58 HN ASN 58 193.106 1.783 2.172 475 HA ASN 58 HA ASN 58 195.391 1.073 3.886 476 1HB ASN 58 HB2 ASN 58 193.984 3.585 3.388 477 2HB ASN 58 HB1 ASN 58 194.166 3.229 5.102 478 1HD2 ASN 58 HD21 ASN 58 195.978 3.864 6.012 479 2HD2 ASN 58 HD22 ASN 58 197.465 4.200 5.198 480 H GLY 59 HN GLY 59 193.055 -0.610 3.570 481 1HA GLY 59 HA2 GLY 59 192.464 -1.869 5.680 482 2HA GLY 59 HA1 GLY 59 191.838 -0.328 6.248 483 H VAL 60 HN VAL 60 189.716 -0.827 6.465 484 HA VAL 60 HA VAL 60 188.210 -1.188 4.004 485 HB VAL 60 HB VAL 60 187.779 -3.066 6.328 486 1HG1 VAL 60 HG11 VAL 60 185.874 -2.371 4.715 487 2HG1 VAL 60 HG12 VAL 60 186.114 -4.081 5.078 488 3HG1 VAL 60 HG13 VAL 60 186.704 -3.411 3.558 489 1HG2 VAL 60 HG21 VAL 60 188.605 -4.790 4.627 490 2HG2 VAL 60 HG22 VAL 60 189.814 -3.778 5.414 491 3HG2 VAL 60 HG23 VAL 60 189.301 -3.418 3.766 492 H LEU 61 HN LEU 61 186.694 0.328 4.046 493 HA LEU 61 HA LEU 61 185.847 1.526 6.531 494 1HB LEU 61 HB2 LEU 61 184.977 2.046 3.686 495 2HB LEU 61 HB1 LEU 61 184.509 3.009 5.076 496 HG LEU 61 HG LEU 61 187.387 2.650 4.268 497 1HD1 LEU 61 HD11 LEU 61 185.594 4.947 3.509 498 2HD1 LEU 61 HD12 LEU 61 186.037 3.636 2.416 499 3HD1 LEU 61 HD13 LEU 61 187.283 4.707 3.060 500 1HD2 LEU 61 HD21 LEU 61 187.702 4.680 5.584 501 2HD2 LEU 61 HD22 LEU 61 186.977 3.399 6.555 502 3HD2 LEU 61 HD23 LEU 61 185.976 4.718 5.948 503 H VAL 62 HN VAL 62 184.545 0.215 7.703 504 HA VAL 62 HA VAL 62 182.371 -1.213 6.390 505 HB VAL 62 HB VAL 62 183.712 -2.435 8.029 506 1HG1 VAL 62 HG11 VAL 62 182.597 -1.129 10.391 507 2HG1 VAL 62 HG12 VAL 62 183.716 -0.118 9.481 508 3HG1 VAL 62 HG13 VAL 62 184.235 -1.694 10.073 509 1HG2 VAL 62 HG21 VAL 62 181.192 -2.276 9.519 510 2HG2 VAL 62 HG22 VAL 62 181.946 -3.646 8.705 511 3HG2 VAL 62 HG23 VAL 62 181.003 -2.479 7.777 512 H ALA 63 HN ALA 63 180.673 0.086 5.965 513 HA ALA 63 HA ALA 63 179.804 2.044 7.948 514 1HB ALA 63 HB1 ALA 63 179.952 2.330 5.327 515 2HB ALA 63 HB2 ALA 63 178.693 3.126 6.269 516 3HB ALA 63 HB3 ALA 63 178.333 1.637 5.397 517 H SER 64 HN SER 64 178.784 0.971 9.577 518 HA SER 64 HA SER 64 176.653 -0.919 8.871 519 1HB SER 64 HB2 SER 64 177.360 -0.566 11.718 520 2HB SER 64 HB1 SER 64 177.095 -2.045 10.794 521 HG SER 64 HG SER 64 179.433 -0.513 11.078 522 H GLY 65 HN GLY 65 174.689 -0.064 8.723 523 1HA GLY 65 HA2 GLY 65 173.786 1.746 10.843 524 2HA GLY 65 HA1 GLY 65 173.653 2.299 9.182 525 H LYS 66 HN LYS 66 171.626 1.655 11.302 526 HA LYS 66 HA LYS 66 169.955 -0.082 9.623 527 1HB LYS 66 HB2 LYS 66 168.954 -0.852 11.912 528 2HB LYS 66 HB1 LYS 66 170.423 -1.604 11.305 529 1HG LYS 66 HG2 LYS 66 170.718 0.761 13.069 530 2HG LYS 66 HG1 LYS 66 170.198 -0.758 13.799 531 1HD LYS 66 HD2 LYS 66 172.160 -1.876 13.101 532 2HD LYS 66 HD1 LYS 66 172.601 -0.568 12.002 533 1HE LYS 66 HE2 LYS 66 172.462 -0.293 14.999 534 2HE LYS 66 HE1 LYS 66 173.941 -0.640 14.106 535 1HZ LYS 66 HZ1 LYS 66 174.167 1.490 13.573 536 2HZ LYS 66 HZ2 LYS 66 172.941 1.837 14.686 537 3HZ LYS 66 HZ3 LYS 66 172.562 1.626 13.051 538 H HIS 67 HN HIS 67 167.740 0.395 9.627 539 HA HIS 67 HA HIS 67 166.472 2.217 11.336 540 1HB HIS 67 HB2 HIS 67 168.209 3.562 9.677 541 2HB HIS 67 HB1 HIS 67 166.680 3.694 8.812 542 HD1 HIS 67 HD1 HIS 67 168.314 4.647 12.064 543 HD2 HIS 67 HD2 HIS 67 164.826 5.413 9.941 544 HE1 HIS 67 HE1 HIS 67 167.187 6.537 13.282 545 HE2 HIS 67 HE2 HIS 67 165.045 6.938 12.018 546 H GLU 68 HN GLU 68 164.288 2.573 10.809 547 HA GLU 68 HA GLU 68 163.062 0.528 9.315 548 1HB GLU 68 HB2 GLU 68 162.146 2.020 11.259 549 2HB GLU 68 HB1 GLU 68 161.639 3.085 9.956 550 1HG GLU 68 HG2 GLU 68 160.924 0.199 9.820 551 2HG GLU 68 HG1 GLU 68 160.033 1.254 10.914 552 H ASP 69 HN ASP 69 163.664 3.937 8.585 553 HA ASP 69 HA ASP 69 162.355 3.793 6.035 554 1HB ASP 69 HB2 ASP 69 163.277 5.850 7.730 555 2HB ASP 69 HB1 ASP 69 164.173 6.015 6.223 556 H MET 70 HN MET 70 163.259 3.682 4.016 557 HA MET 70 HA MET 70 165.648 2.190 3.757 558 1HB MET 70 HB2 MET 70 163.796 2.027 2.149 559 2HB MET 70 HB1 MET 70 164.071 3.689 1.654 560 1HG MET 70 HG2 MET 70 166.527 2.612 1.270 561 2HG MET 70 HG1 MET 70 165.484 1.238 0.909 562 1HE MET 70 HE1 MET 70 163.086 2.150 0.019 563 2HE MET 70 HE2 MET 70 163.447 1.730 -1.656 564 3HE MET 70 HE3 MET 70 162.921 3.363 -1.250 565 H TYR 71 HN TYR 71 164.927 5.418 2.429 566 HA TYR 71 HA TYR 71 167.586 6.050 1.831 567 1HB TYR 71 HB2 TYR 71 165.081 7.659 2.136 568 2HB TYR 71 HB1 TYR 71 166.622 8.485 1.943 569 HD1 TYR 71 HD1 TYR 71 164.990 9.256 -0.065 570 HD2 TYR 71 HD2 TYR 71 166.968 5.495 0.196 571 HE1 TYR 71 HE1 TYR 71 164.835 9.007 -2.504 572 HE2 TYR 71 HE2 TYR 71 166.819 5.238 -2.237 573 HH TYR 71 HH TYR 71 166.490 7.390 -4.296 574 H THR 72 HN THR 72 165.653 6.779 4.719 575 HA THR 72 HA THR 72 167.493 8.453 5.992 576 HB THR 72 HB THR 72 165.754 6.460 7.432 577 HG1 THR 72 HG1 THR 72 164.960 9.009 6.488 578 1HG2 THR 72 HG21 THR 72 167.398 8.106 8.614 579 2HG2 THR 72 HG22 THR 72 165.767 7.858 9.235 580 3HG2 THR 72 HG23 THR 72 166.134 9.286 8.266 581 H ALA 73 HN ALA 73 167.285 4.949 5.816 582 HA ALA 73 HA ALA 73 169.224 4.320 7.750 583 1HB ALA 73 HB1 ALA 73 169.467 2.288 5.958 584 2HB ALA 73 HB2 ALA 73 167.871 2.919 5.551 585 3HB ALA 73 HB3 ALA 73 168.214 2.386 7.197 586 H ILE 74 HN ILE 74 169.638 4.106 4.220 587 HA ILE 74 HA ILE 74 172.364 3.910 4.094 588 HB ILE 74 HB ILE 74 171.746 5.711 2.000 589 1HG1 ILE 74 HG12 ILE 74 169.323 5.136 2.748 590 2HG1 ILE 74 HG11 ILE 74 169.733 5.054 1.040 591 1HG2 ILE 74 HG21 ILE 74 173.192 4.078 1.401 592 2HG2 ILE 74 HG22 ILE 74 171.711 3.386 0.740 593 3HG2 ILE 74 HG23 ILE 74 172.330 2.825 2.293 594 1HD1 ILE 74 HD11 ILE 74 169.562 2.711 2.924 595 2HD1 ILE 74 HD12 ILE 74 169.971 2.633 1.210 596 3HD1 ILE 74 HD13 ILE 74 168.366 3.167 1.709 597 H ASN 75 HN ASN 75 170.474 6.898 4.281 598 HA ASN 75 HA ASN 75 172.548 8.739 4.119 599 1HB ASN 75 HB2 ASN 75 169.807 8.739 5.262 600 2HB ASN 75 HB1 ASN 75 170.891 10.007 5.826 601 1HD2 ASN 75 HD21 ASN 75 169.072 8.763 3.179 602 2HD2 ASN 75 HD22 ASN 75 169.315 10.096 2.107 603 H GLU 76 HN GLU 76 171.250 7.023 6.937 604 HA GLU 76 HA GLU 76 172.893 8.297 8.848 605 1HB GLU 76 HB2 GLU 76 171.183 5.874 8.778 606 2HB GLU 76 HB1 GLU 76 172.412 5.934 10.035 607 1HG GLU 76 HG2 GLU 76 171.495 8.209 10.640 608 2HG GLU 76 HG1 GLU 76 170.141 7.841 9.572 609 H LEU 77 HN LEU 77 173.196 5.060 7.378 610 HA LEU 77 HA LEU 77 175.697 4.489 8.494 611 1HB LEU 77 HB2 LEU 77 175.806 3.000 6.255 612 2HB LEU 77 HB1 LEU 77 174.945 2.537 7.707 613 HG LEU 77 HG LEU 77 173.404 4.108 5.726 614 1HD1 LEU 77 HD11 LEU 77 174.296 2.784 4.075 615 2HD1 LEU 77 HD12 LEU 77 172.946 1.783 4.612 616 3HD1 LEU 77 HD13 LEU 77 174.582 1.429 5.166 617 1HD2 LEU 77 HD21 LEU 77 172.343 3.334 7.749 618 2HD2 LEU 77 HD22 LEU 77 172.860 1.682 7.432 619 3HD2 LEU 77 HD23 LEU 77 171.678 2.453 6.375 620 H ILE 78 HN ILE 78 174.879 6.589 5.901 621 HA ILE 78 HA ILE 78 177.426 6.451 4.591 622 HB ILE 78 HB ILE 78 175.002 7.460 3.831 623 1HG1 ILE 78 HG12 ILE 78 176.732 6.666 2.330 624 2HG1 ILE 78 HG11 ILE 78 176.204 8.268 1.822 625 1HG2 ILE 78 HG21 ILE 78 175.390 9.492 5.215 626 2HG2 ILE 78 HG22 ILE 78 175.159 9.827 3.502 627 3HG2 ILE 78 HG23 ILE 78 176.778 9.864 4.197 628 1HD1 ILE 78 HD11 ILE 78 178.255 8.980 3.364 629 2HD1 ILE 78 HD12 ILE 78 178.430 8.582 1.655 630 3HD1 ILE 78 HD13 ILE 78 178.806 7.376 2.884 631 H ASN 79 HN ASN 79 175.930 8.643 6.946 632 HA ASN 79 HA ASN 79 178.092 10.466 7.042 633 1HB ASN 79 HB2 ASN 79 177.059 11.364 9.024 634 2HB ASN 79 HB1 ASN 79 175.787 10.949 7.881 635 1HD2 ASN 79 HD21 ASN 79 174.090 10.226 8.920 636 2HD2 ASN 79 HD22 ASN 79 174.098 9.139 10.264 637 H LYS 80 HN LYS 80 177.424 7.439 8.661 638 HA LYS 80 HA LYS 80 179.478 7.688 10.629 639 1HB LYS 80 HB2 LYS 80 177.449 6.146 10.709 640 2HB LYS 80 HB1 LYS 80 178.316 5.107 9.588 641 1HG LYS 80 HG2 LYS 80 178.638 4.254 11.786 642 2HG LYS 80 HG1 LYS 80 180.164 4.964 11.252 643 1HD LYS 80 HD2 LYS 80 179.850 5.666 13.493 644 2HD LYS 80 HD1 LYS 80 179.474 7.061 12.481 645 1HE LYS 80 HE2 LYS 80 177.750 7.030 14.050 646 2HE LYS 80 HE1 LYS 80 177.040 6.265 12.630 647 1HZ LYS 80 HZ1 LYS 80 176.561 4.538 13.907 648 2HZ LYS 80 HZ2 LYS 80 177.375 5.211 15.226 649 3HZ LYS 80 HZ3 LYS 80 178.214 4.243 14.121 650 H LEU 81 HN LEU 81 179.275 6.258 7.415 651 HA LEU 81 HA LEU 81 181.815 5.006 7.432 652 1HB LEU 81 HB2 LEU 81 179.788 4.713 5.827 653 2HB LEU 81 HB1 LEU 81 180.504 6.047 4.943 654 HG LEU 81 HG LEU 81 181.795 3.374 5.495 655 1HD1 LEU 81 HD11 LEU 81 179.937 4.000 3.594 656 2HD1 LEU 81 HD12 LEU 81 181.135 2.711 3.468 657 3HD1 LEU 81 HD13 LEU 81 181.454 4.285 2.742 658 1HD2 LEU 81 HD21 LEU 81 182.844 5.917 4.315 659 2HD2 LEU 81 HD22 LEU 81 183.482 4.356 3.801 660 3HD2 LEU 81 HD23 LEU 81 183.592 4.839 5.494 661 H GLU 82 HN GLU 82 180.710 8.086 6.018 662 HA GLU 82 HA GLU 82 183.136 8.957 4.994 663 1HB GLU 82 HB2 GLU 82 181.054 10.076 4.465 664 2HB GLU 82 HB1 GLU 82 180.852 10.572 6.138 665 1HG GLU 82 HG2 GLU 82 183.365 11.528 5.307 666 2HG GLU 82 HG1 GLU 82 182.219 11.894 4.017 667 H ARG 83 HN ARG 83 181.803 9.394 8.253 668 HA ARG 83 HA ARG 83 183.744 11.097 9.288 669 1HB ARG 83 HB2 ARG 83 181.714 9.283 10.366 670 2HB ARG 83 HB1 ARG 83 183.103 9.480 11.427 671 1HG ARG 83 HG2 ARG 83 181.440 11.724 10.302 672 2HG ARG 83 HG1 ARG 83 181.311 11.067 11.934 673 1HD ARG 83 HD2 ARG 83 182.831 12.573 12.551 674 2HD ARG 83 HD1 ARG 83 184.011 11.639 11.632 675 HE ARG 83 HE ARG 83 182.882 13.239 9.762 676 1HH1 ARG 83 HH11 ARG 83 184.361 13.852 12.862 677 2HH1 ARG 83 HH12 ARG 83 184.929 15.426 12.420 678 1HH2 ARG 83 HH21 ARG 83 183.627 15.310 9.178 679 2HH2 ARG 83 HH22 ARG 83 184.513 16.255 10.329 680 H GLN 84 HN GLN 84 183.612 7.558 9.790 681 HA GLN 84 HA GLN 84 186.191 7.311 10.838 682 1HB GLN 84 HB2 GLN 84 184.447 5.555 10.973 683 2HB GLN 84 HB1 GLN 84 184.647 5.250 9.251 684 1HG GLN 84 HG2 GLN 84 187.168 4.911 9.978 685 2HG GLN 84 HG1 GLN 84 186.409 4.540 11.526 686 1HE2 GLN 84 HE21 GLN 84 185.582 3.878 8.138 687 2HE2 GLN 84 HE22 GLN 84 185.399 2.173 8.338 688 H LEU 85 HN LEU 85 185.047 7.501 7.559 689 HA LEU 85 HA LEU 85 187.399 6.574 6.273 690 1HB LEU 85 HB2 LEU 85 185.643 6.506 4.823 691 2HB LEU 85 HB1 LEU 85 184.888 7.935 5.496 692 HG LEU 85 HG LEU 85 186.703 9.276 4.289 693 1HD1 LEU 85 HD11 LEU 85 187.125 7.534 2.145 694 2HD1 LEU 85 HD12 LEU 85 187.502 6.603 3.595 695 3HD1 LEU 85 HD13 LEU 85 188.322 8.134 3.293 696 1HD2 LEU 85 HD21 LEU 85 184.365 7.878 3.147 697 2HD2 LEU 85 HD22 LEU 85 185.461 8.652 2.003 698 3HD2 LEU 85 HD23 LEU 85 184.706 9.603 3.281 699 H ASN 86 HN ASN 86 186.235 9.767 7.239 700 HA ASN 86 HA ASN 86 188.197 11.332 6.016 701 1HB ASN 86 HB2 ASN 86 186.495 11.715 8.464 702 2HB ASN 86 HB1 ASN 86 187.696 12.919 8.004 703 1HD2 ASN 86 HD21 ASN 86 184.594 12.529 7.962 704 2HD2 ASN 86 HD22 ASN 86 184.161 13.219 6.440 705 H LYS 87 HN LYS 87 188.129 9.947 9.293 706 HA LYS 87 HA LYS 87 190.614 10.948 10.113 707 1HB LYS 87 HB2 LYS 87 189.932 10.037 12.031 708 2HB LYS 87 HB1 LYS 87 188.595 9.279 11.185 709 1HG LYS 87 HG2 LYS 87 189.699 7.571 12.371 710 2HG LYS 87 HG1 LYS 87 190.151 7.360 10.681 711 1HD LYS 87 HD2 LYS 87 192.186 8.875 11.367 712 2HD LYS 87 HD1 LYS 87 191.791 8.302 12.989 713 1HE LYS 87 HE2 LYS 87 192.757 6.768 10.615 714 2HE LYS 87 HE1 LYS 87 193.331 6.731 12.280 715 1HZ LYS 87 HZ1 LYS 87 191.070 5.716 12.799 716 2HZ LYS 87 HZ2 LYS 87 192.194 4.734 12.005 717 3HZ LYS 87 HZ3 LYS 87 190.930 5.445 11.135 718 H LEU 88 HN LEU 88 189.783 7.791 8.688 719 HA LEU 88 HA LEU 88 192.328 6.674 8.691 720 1HB LEU 88 HB2 LEU 88 190.069 5.618 8.071 721 2HB LEU 88 HB1 LEU 88 190.357 6.249 6.460 722 HG LEU 88 HG LEU 88 192.429 4.528 7.769 723 1HD1 LEU 88 HD11 LEU 88 189.786 3.675 6.699 724 2HD1 LEU 88 HD12 LEU 88 190.729 3.021 8.038 725 3HD1 LEU 88 HD13 LEU 88 191.198 2.673 6.374 726 1HD2 LEU 88 HD21 LEU 88 191.823 5.586 5.101 727 2HD2 LEU 88 HD22 LEU 88 192.296 3.887 5.130 728 3HD2 LEU 88 HD23 LEU 88 193.364 5.111 5.814 729 H GLN 89 HN GLN 89 190.988 9.160 6.697 730 HA GLN 89 HA GLN 89 193.086 8.950 4.700 731 1HB GLN 89 HB2 GLN 89 190.540 10.417 4.978 732 2HB GLN 89 HB1 GLN 89 191.810 11.279 4.119 733 1HG GLN 89 HG2 GLN 89 191.910 8.779 2.996 734 2HG GLN 89 HG1 GLN 89 190.187 9.013 3.285 735 1HE2 GLN 89 HE21 GLN 89 189.138 10.779 2.300 736 2HE2 GLN 89 HE22 GLN 89 189.790 11.535 0.889 737 H HIS 90 HN HIS 90 191.878 11.691 6.641 738 HA HIS 90 HA HIS 90 194.149 13.277 6.357 739 1HB HIS 90 HB2 HIS 90 192.165 13.238 8.640 740 2HB HIS 90 HB1 HIS 90 193.299 14.541 8.297 741 HD1 HIS 90 HD1 HIS 90 192.848 14.647 5.201 742 HD2 HIS 90 HD2 HIS 90 189.837 14.571 8.064 743 HE1 HIS 90 HE1 HIS 90 190.835 15.665 4.088 744 HE2 HIS 90 HE2 HIS 90 189.052 15.685 5.867 745 H LYS 91 HN LYS 91 196.121 12.483 6.797 746 HA LYS 91 HA LYS 91 197.092 12.335 9.394 747 1HB LYS 91 HB2 LYS 91 195.637 10.063 8.890 748 2HB LYS 91 HB1 LYS 91 197.267 9.552 8.468 749 1HG LYS 91 HG2 LYS 91 197.601 10.881 10.867 750 2HG LYS 91 HG1 LYS 91 196.074 10.019 11.069 751 1HD LYS 91 HD2 LYS 91 198.082 8.358 9.802 752 2HD LYS 91 HD1 LYS 91 198.634 8.972 11.361 753 1HE LYS 91 HE2 LYS 91 196.627 8.109 12.431 754 2HE LYS 91 HE1 LYS 91 196.018 7.548 10.874 755 1HZ LYS 91 HZ1 LYS 91 198.536 6.598 12.126 756 2HZ LYS 91 HZ2 LYS 91 197.814 5.994 10.722 757 3HZ LYS 91 HZ3 LYS 91 197.056 5.783 12.220 758 H GLY 92 HN GLY 92 197.646 10.249 6.550 759 1HA GLY 92 HA2 GLY 92 200.309 11.508 6.293 760 2HA GLY 92 HA1 GLY 92 200.075 9.775 6.122 761 H GLU 93 HN GLU 93 198.568 12.733 4.811 762 HA GLU 93 HA GLU 93 198.177 11.442 2.254 763 1HB GLU 93 HB2 GLU 93 196.593 13.127 3.399 764 2HB GLU 93 HB1 GLU 93 197.707 14.358 2.822 765 1HG GLU 93 HG2 GLU 93 197.302 13.756 0.547 766 2HG GLU 93 HG1 GLU 93 196.354 12.352 1.037 767 H ALA 94 HN ALA 94 199.407 11.652 0.483 768 HA ALA 94 HA ALA 94 201.011 13.861 -0.162 769 1HB ALA 94 HB1 ALA 94 203.082 13.434 0.628 770 2HB ALA 94 HB2 ALA 94 202.889 11.686 0.495 771 3HB ALA 94 HB3 ALA 94 202.194 12.548 1.869 772 H ARG 95 HN ARG 95 202.254 13.541 -2.110 773 HA ARG 95 HA ARG 95 201.403 11.145 -3.601 774 1HB ARG 95 HB2 ARG 95 202.282 13.455 -5.194 775 2HB ARG 95 HB1 ARG 95 200.892 12.402 -5.409 776 1HG ARG 95 HG2 ARG 95 200.965 14.528 -3.291 777 2HG ARG 95 HG1 ARG 95 200.444 14.857 -4.944 778 1HD ARG 95 HD2 ARG 95 199.208 12.507 -3.680 779 2HD ARG 95 HD1 ARG 95 198.800 14.054 -2.945 780 HE ARG 95 HE ARG 95 197.771 14.718 -4.946 781 1HH1 ARG 95 HH11 ARG 95 199.064 11.477 -5.171 782 2HH1 ARG 95 HH12 ARG 95 198.137 11.076 -6.575 783 1HH2 ARG 95 HH21 ARG 95 196.561 14.186 -6.795 784 2HH2 ARG 95 HH22 ARG 95 196.719 12.611 -7.498 785 H ARG 96 HN ARG 96 202.904 9.948 -4.659 786 HA ARG 96 HA ARG 96 205.575 10.030 -3.859 787 1HB ARG 96 HB2 ARG 96 204.230 8.100 -4.914 788 2HB ARG 96 HB1 ARG 96 204.691 8.801 -6.457 789 1HG ARG 96 HG2 ARG 96 206.901 8.383 -4.568 790 2HG ARG 96 HG1 ARG 96 206.111 6.916 -5.149 791 1HD ARG 96 HD2 ARG 96 206.371 7.919 -7.485 792 2HD ARG 96 HD1 ARG 96 207.489 9.060 -6.738 793 HE ARG 96 HE ARG 96 208.439 6.662 -5.936 794 1HH1 ARG 96 HH11 ARG 96 207.595 7.958 -9.064 795 2HH1 ARG 96 HH12 ARG 96 208.764 7.004 -9.914 796 1HH2 ARG 96 HH21 ARG 96 209.977 5.406 -7.052 797 2HH2 ARG 96 HH22 ARG 96 210.116 5.555 -8.771 798 H ALA 97 HN ALA 97 206.470 12.056 -4.154 799 HA ALA 97 HA ALA 97 206.772 12.977 -6.931 800 1HB ALA 97 HB1 ALA 97 207.721 14.898 -5.037 801 2HB ALA 97 HB2 ALA 97 206.112 14.351 -4.562 802 3HB ALA 97 HB3 ALA 97 206.375 15.022 -6.170 803 H ALA 98 HN ALA 98 208.364 10.919 -5.223 804 HA ALA 98 HA ALA 98 210.898 11.769 -4.620 805 1HB ALA 98 HB1 ALA 98 209.980 9.453 -4.329 806 2HB ALA 98 HB2 ALA 98 211.641 9.525 -4.917 807 3HB ALA 98 HB3 ALA 98 210.324 9.172 -6.036 808 H THR 99 HN THR 99 211.949 13.215 -5.855 809 HA THR 99 HA THR 99 212.062 12.890 -8.739 810 HB THR 99 HB THR 99 213.741 14.991 -7.598 811 HG1 THR 99 HG1 THR 99 212.306 16.005 -6.421 812 1HG2 THR 99 HG21 THR 99 211.511 14.855 -9.580 813 2HG2 THR 99 HG22 THR 99 213.200 15.297 -9.828 814 3HG2 THR 99 HG23 THR 99 212.114 16.402 -8.984 815 H SER 100 HN SER 100 214.120 12.503 -5.939 816 HA SER 100 HA SER 100 216.470 12.019 -7.583 817 1HB SER 100 HB2 SER 100 216.075 11.985 -4.581 818 2HB SER 100 HB1 SER 100 217.619 11.700 -5.387 819 HG SER 100 HG SER 100 216.054 14.052 -5.657 820 H VAL 101 HN VAL 101 214.655 10.205 -8.300 821 HA VAL 101 HA VAL 101 214.944 7.775 -6.750 822 HB VAL 101 HB VAL 101 213.573 6.738 -8.533 823 1HG1 VAL 101 HG11 VAL 101 211.512 8.034 -8.079 824 2HG1 VAL 101 HG12 VAL 101 212.506 9.303 -7.362 825 3HG1 VAL 101 HG13 VAL 101 212.458 7.700 -6.627 826 1HG2 VAL 101 HG21 VAL 101 212.655 8.048 -10.324 827 2HG2 VAL 101 HG22 VAL 101 214.411 8.193 -10.372 828 3HG2 VAL 101 HG23 VAL 101 213.435 9.507 -9.717 829 H LYS 102 HN LYS 102 216.357 9.257 -9.559 830 HA LYS 102 HA LYS 102 217.686 6.789 -10.356 831 1HB LYS 102 HB2 LYS 102 216.691 8.724 -11.884 832 2HB LYS 102 HB1 LYS 102 218.294 9.405 -11.647 833 1HG LYS 102 HG2 LYS 102 218.691 6.708 -12.302 834 2HG LYS 102 HG1 LYS 102 217.453 7.309 -13.406 835 1HD LYS 102 HD2 LYS 102 219.065 9.332 -13.688 836 2HD LYS 102 HD1 LYS 102 220.279 8.221 -13.047 837 1HE LYS 102 HE2 LYS 102 218.528 7.690 -15.445 838 2HE LYS 102 HE1 LYS 102 220.201 8.240 -15.515 839 1HZ LYS 102 HZ1 LYS 102 219.136 5.606 -14.888 840 2HZ LYS 102 HZ2 LYS 102 220.474 6.099 -13.979 841 3HZ LYS 102 HZ3 LYS 102 220.576 6.036 -15.666 842 H ASP 103 HN ASP 103 218.480 7.429 -7.864 843 HA ASP 103 HA ASP 103 221.053 8.811 -8.133 844 1HB ASP 103 HB2 ASP 103 221.066 8.887 -5.677 845 2HB ASP 103 HB1 ASP 103 219.596 9.606 -6.329 846 H ALA 104 HN ALA 104 222.977 7.858 -7.359 847 HA ALA 104 HA ALA 104 223.330 5.158 -8.014 848 1HB ALA 104 HB1 ALA 104 225.016 7.185 -6.604 849 2HB ALA 104 HB2 ALA 104 225.260 6.419 -8.174 850 3HB ALA 104 HB3 ALA 104 225.539 5.502 -6.694 851 H ASN 105 HN ASN 105 224.310 3.523 -6.480 852 HA ASN 105 HA ASN 105 222.525 3.252 -4.194 853 1HB ASN 105 HB2 ASN 105 223.528 0.923 -4.098 854 2HB ASN 105 HB1 ASN 105 222.620 1.306 -5.556 855 1HD2 ASN 105 HD21 ASN 105 225.743 0.668 -4.205 856 2HD2 ASN 105 HD22 ASN 105 226.585 0.492 -5.704 857 H PHE 106 HN PHE 106 224.139 5.228 -3.562 858 HA PHE 106 HA PHE 106 226.456 4.197 -2.144 859 1HB PHE 106 HB2 PHE 106 225.583 6.845 -3.097 860 2HB PHE 106 HB1 PHE 106 226.482 6.835 -1.582 861 HD1 PHE 106 HD1 PHE 106 226.631 6.248 -5.174 862 HD2 PHE 106 HD2 PHE 106 228.798 6.099 -1.514 863 HE1 PHE 106 HE1 PHE 106 228.739 6.072 -6.433 864 HE2 PHE 106 HE2 PHE 106 230.909 5.925 -2.767 865 HZ PHE 106 HZ PHE 106 230.881 5.913 -5.230 866 H VAL 107 HN VAL 107 224.559 6.858 -0.989 867 HA VAL 107 HA VAL 107 224.253 5.466 1.572 868 HB VAL 107 HB VAL 107 225.429 7.614 1.664 869 1HG1 VAL 107 HG11 VAL 107 224.624 9.606 0.895 870 2HG1 VAL 107 HG12 VAL 107 222.937 9.123 1.075 871 3HG1 VAL 107 HG13 VAL 107 223.888 8.516 -0.279 872 1HG2 VAL 107 HG21 VAL 107 224.231 6.939 3.632 873 2HG2 VAL 107 HG22 VAL 107 222.722 7.585 2.988 874 3HG2 VAL 107 HG23 VAL 107 224.035 8.679 3.426 875 H GLU 108 HN GLU 108 222.408 4.292 1.352 876 HA GLU 108 HA GLU 108 219.965 5.358 1.931 877 1HB GLU 108 HB2 GLU 108 220.591 5.738 -0.853 878 2HB GLU 108 HB1 GLU 108 219.185 4.697 -0.682 879 1HG GLU 108 HG2 GLU 108 219.540 7.490 0.368 880 2HG GLU 108 HG1 GLU 108 218.416 6.933 -0.871 881 H GLU 109 HN GLU 109 220.411 3.160 -0.733 882 HA GLU 109 HA GLU 109 218.857 1.107 0.407 883 1HB GLU 109 HB2 GLU 109 219.801 1.632 -2.090 884 2HB GLU 109 HB1 GLU 109 220.860 0.313 -1.613 885 1HG GLU 109 HG2 GLU 109 218.820 -0.379 -2.861 886 2HG GLU 109 HG1 GLU 109 219.022 -1.159 -1.293 887 H VAL 110 HN VAL 110 220.666 -1.149 -0.265 888 HA VAL 110 HA VAL 110 221.564 -1.869 2.213 889 HB VAL 110 HB VAL 110 221.439 -3.434 0.334 890 1HG1 VAL 110 HG11 VAL 110 223.182 -3.526 -1.357 891 2HG1 VAL 110 HG12 VAL 110 223.960 -2.106 -0.657 892 3HG1 VAL 110 HG13 VAL 110 222.365 -1.964 -1.398 893 1HG2 VAL 110 HG21 VAL 110 223.113 -4.837 1.069 894 2HG2 VAL 110 HG22 VAL 110 223.004 -3.694 2.406 895 3HG2 VAL 110 HG23 VAL 110 224.291 -3.533 1.212 896 H GLU 111 HN GLU 111 223.193 -1.327 3.515 897 HA GLU 111 HA GLU 111 225.161 0.605 2.561 898 1HB GLU 111 HB2 GLU 111 223.816 0.926 4.694 899 2HB GLU 111 HB1 GLU 111 224.780 -0.369 5.390 900 1HG GLU 111 HG2 GLU 111 226.787 0.904 5.154 901 2HG GLU 111 HG1 GLU 111 225.944 2.152 4.239 902 H GLU 112 HN GLU 112 225.571 -1.915 1.520 903 HA GLU 112 HA GLU 112 227.199 -3.461 1.178 904 1HB GLU 112 HB2 GLU 112 228.674 -1.454 2.858 905 2HB GLU 112 HB1 GLU 112 229.453 -2.944 2.345 906 1HG GLU 112 HG2 GLU 112 230.017 -1.173 0.826 907 2HG GLU 112 HG1 GLU 112 228.994 -2.349 0.003 908 H GLU 113 HN GLU 113 228.136 -2.656 4.504 909 HA GLU 113 HA GLU 113 228.355 -5.318 5.332 910 1HB GLU 113 HB2 GLU 113 228.610 -2.704 6.517 911 2HB GLU 113 HB1 GLU 113 227.766 -3.779 7.621 912 1HG GLU 113 HG2 GLU 113 230.149 -4.930 6.361 913 2HG GLU 113 HG1 GLU 113 230.454 -3.562 7.430 Start of MODEL 22 1 1H MET 1 HT1 MET 1 185.532 0.243 -5.540 2 2H MET 1 HT2 MET 1 185.635 -1.454 -5.768 3 3H MET 1 HT3 MET 1 184.110 -0.712 -5.507 4 HA MET 1 HA MET 1 184.670 0.625 -7.575 5 1HB MET 1 HB2 MET 1 186.990 -0.855 -7.322 6 2HB MET 1 HB1 MET 1 186.105 -1.728 -8.564 7 1HG MET 1 HG2 MET 1 185.800 0.815 -9.424 8 2HG MET 1 HG1 MET 1 187.380 0.911 -8.649 9 1HE MET 1 HE1 MET 1 188.402 1.626 -10.878 10 2HE MET 1 HE2 MET 1 189.229 0.377 -11.810 11 3HE MET 1 HE3 MET 1 189.508 0.512 -10.073 12 H THR 2 HN THR 2 184.649 -2.929 -7.215 13 HA THR 2 HA THR 2 182.735 -3.376 -9.235 14 HB THR 2 HB THR 2 182.439 -5.606 -7.924 15 HG1 THR 2 HG1 THR 2 183.754 -5.945 -6.272 16 1HG2 THR 2 HG21 THR 2 183.953 -5.206 -9.916 17 2HG2 THR 2 HG22 THR 2 184.367 -6.545 -8.845 18 3HG2 THR 2 HG23 THR 2 185.260 -5.027 -8.743 19 H MET 3 HN MET 3 180.847 -5.075 -7.849 20 HA MET 3 HA MET 3 179.462 -3.399 -5.951 21 1HB MET 3 HB2 MET 3 178.921 -2.725 -8.458 22 2HB MET 3 HB1 MET 3 177.846 -4.111 -8.357 23 1HG MET 3 HG2 MET 3 176.659 -2.071 -7.846 24 2HG MET 3 HG1 MET 3 176.738 -3.112 -6.425 25 1HE MET 3 HE1 MET 3 176.359 -0.582 -4.559 26 2HE MET 3 HE2 MET 3 175.730 -0.568 -6.206 27 3HE MET 3 HE3 MET 3 176.720 0.773 -5.628 28 H ASN 4 HN ASN 4 179.906 -5.346 -4.727 29 HA ASN 4 HA ASN 4 178.255 -7.659 -5.472 30 1HB ASN 4 HB2 ASN 4 180.300 -7.572 -3.253 31 2HB ASN 4 HB1 ASN 4 179.622 -8.988 -4.052 32 1HD2 ASN 4 HD21 ASN 4 181.089 -9.950 -5.243 33 2HD2 ASN 4 HD22 ASN 4 182.277 -9.175 -6.229 34 H ILE 5 HN ILE 5 176.253 -7.498 -4.683 35 HA ILE 5 HA ILE 5 175.940 -6.565 -1.907 36 HB ILE 5 HB ILE 5 173.732 -6.576 -3.952 37 1HG1 ILE 5 HG12 ILE 5 175.312 -4.120 -3.217 38 2HG1 ILE 5 HG11 ILE 5 175.803 -5.142 -4.565 39 1HG2 ILE 5 HG21 ILE 5 172.650 -5.051 -2.445 40 2HG2 ILE 5 HG22 ILE 5 174.086 -4.972 -1.425 41 3HG2 ILE 5 HG23 ILE 5 173.166 -6.472 -1.536 42 1HD1 ILE 5 HD11 ILE 5 173.363 -4.823 -5.366 43 2HD1 ILE 5 HD12 ILE 5 174.537 -3.527 -5.597 44 3HD1 ILE 5 HD13 ILE 5 173.376 -3.439 -4.272 45 H THR 6 HN THR 6 175.778 -8.287 -0.621 46 HA THR 6 HA THR 6 174.166 -10.576 -1.528 47 HB THR 6 HB THR 6 176.423 -11.229 -1.030 48 HG1 THR 6 HG1 THR 6 174.662 -12.556 -0.208 49 1HG2 THR 6 HG21 THR 6 177.117 -11.011 1.477 50 2HG2 THR 6 HG22 THR 6 176.059 -9.599 1.426 51 3HG2 THR 6 HG23 THR 6 177.439 -9.707 0.333 52 H SER 7 HN SER 7 172.287 -9.174 -0.904 53 HA SER 7 HA SER 7 171.823 -8.629 1.861 54 1HB SER 7 HB2 SER 7 170.015 -8.632 -0.561 55 2HB SER 7 HB1 SER 7 169.445 -8.222 1.059 56 HG SER 7 HG SER 7 171.658 -6.937 -0.152 57 H LYS 8 HN LYS 8 170.253 -9.652 3.231 58 HA LYS 8 HA LYS 8 170.258 -12.519 2.905 59 1HB LYS 8 HB2 LYS 8 170.593 -11.086 5.086 60 2HB LYS 8 HB1 LYS 8 168.839 -11.169 5.159 61 1HG LYS 8 HG2 LYS 8 169.147 -13.703 4.893 62 2HG LYS 8 HG1 LYS 8 170.830 -13.396 5.324 63 1HD LYS 8 HD2 LYS 8 168.746 -12.185 7.051 64 2HD LYS 8 HD1 LYS 8 168.952 -13.936 7.141 65 1HE LYS 8 HE2 LYS 8 171.537 -12.816 7.160 66 2HE LYS 8 HE1 LYS 8 170.567 -11.859 8.278 67 1HZ LYS 8 HZ1 LYS 8 169.835 -14.081 9.221 68 2HZ LYS 8 HZ2 LYS 8 171.423 -13.603 9.546 69 3HZ LYS 8 HZ3 LYS 8 171.119 -14.763 8.355 70 H GLN 9 HN GLN 9 167.552 -10.508 4.064 71 HA GLN 9 HA GLN 9 165.800 -12.071 2.284 72 1HB GLN 9 HB2 GLN 9 164.453 -10.797 4.541 73 2HB GLN 9 HB1 GLN 9 164.355 -12.452 3.962 74 1HG GLN 9 HG2 GLN 9 165.318 -12.950 5.912 75 2HG GLN 9 HG1 GLN 9 166.809 -12.456 5.116 76 1HE2 GLN 9 HE21 GLN 9 166.113 -9.640 5.068 77 2HE2 GLN 9 HE22 GLN 9 166.273 -9.069 6.689 78 H MET 10 HN MET 10 167.160 -9.522 1.706 79 HA MET 10 HA MET 10 164.820 -8.112 0.758 80 1HB MET 10 HB2 MET 10 165.880 -7.270 3.142 81 2HB MET 10 HB1 MET 10 166.701 -6.224 1.994 82 1HG MET 10 HG2 MET 10 163.753 -6.521 2.449 83 2HG MET 10 HG1 MET 10 164.752 -5.097 2.708 84 1HE MET 10 HE1 MET 10 162.340 -4.579 1.596 85 2HE MET 10 HE2 MET 10 162.206 -4.265 -0.134 86 3HE MET 10 HE3 MET 10 163.268 -3.272 0.864 87 H GLU 11 HN GLU 11 165.467 -8.530 -1.312 88 HA GLU 11 HA GLU 11 168.025 -8.321 -2.369 89 1HB GLU 11 HB2 GLU 11 165.380 -7.785 -3.735 90 2HB GLU 11 HB1 GLU 11 166.909 -8.046 -4.564 91 1HG GLU 11 HG2 GLU 11 166.141 -10.154 -4.688 92 2HG GLU 11 HG1 GLU 11 166.844 -10.264 -3.074 93 H ILE 12 HN ILE 12 168.324 -6.611 -4.325 94 HA ILE 12 HA ILE 12 168.274 -4.001 -2.982 95 HB ILE 12 HB ILE 12 169.858 -3.895 -5.357 96 1HG1 ILE 12 HG12 ILE 12 170.073 -6.345 -5.160 97 2HG1 ILE 12 HG11 ILE 12 171.599 -5.536 -4.826 98 1HG2 ILE 12 HG21 ILE 12 170.948 -3.974 -2.572 99 2HG2 ILE 12 HG22 ILE 12 169.943 -2.631 -3.115 100 3HG2 ILE 12 HG23 ILE 12 171.457 -2.991 -3.945 101 1HD1 ILE 12 HD11 ILE 12 169.907 -7.169 -3.078 102 2HD1 ILE 12 HD12 ILE 12 170.598 -5.727 -2.333 103 3HD1 ILE 12 HD13 ILE 12 171.655 -6.928 -3.078 104 H THR 13 HN THR 13 166.305 -3.172 -3.509 105 HA THR 13 HA THR 13 165.095 -3.352 -6.052 106 HB THR 13 HB THR 13 163.444 -1.900 -5.223 107 HG1 THR 13 HG1 THR 13 163.872 -0.196 -4.068 108 1HG2 THR 13 HG21 THR 13 164.046 -3.986 -3.705 109 2HG2 THR 13 HG22 THR 13 162.771 -2.844 -3.283 110 3HG2 THR 13 HG23 THR 13 164.361 -2.708 -2.533 111 HA PRO 14 HA PRO 14 167.028 -0.373 -8.645 112 1HB PRO 14 HB2 PRO 14 164.814 1.197 -9.347 113 2HB PRO 14 HB1 PRO 14 165.377 -0.244 -10.193 114 1HG PRO 14 HG2 PRO 14 163.193 0.045 -8.186 115 2HG PRO 14 HG1 PRO 14 163.281 -1.007 -9.611 116 1HD PRO 14 HD2 PRO 14 163.636 -1.984 -7.147 117 2HD PRO 14 HD1 PRO 14 164.596 -2.583 -8.516 118 H ALA 15 HN ALA 15 164.744 0.850 -6.250 119 HA ALA 15 HA ALA 15 165.754 3.517 -6.247 120 1HB ALA 15 HB1 ALA 15 163.653 3.569 -5.410 121 2HB ALA 15 HB2 ALA 15 164.507 3.365 -3.882 122 3HB ALA 15 HB3 ALA 15 163.786 1.969 -4.681 123 H ILE 16 HN ILE 16 166.100 0.783 -3.990 124 HA ILE 16 HA ILE 16 167.849 2.050 -2.202 125 HB ILE 16 HB ILE 16 167.623 -0.899 -2.834 126 1HG1 ILE 16 HG12 ILE 16 166.267 0.830 -0.755 127 2HG1 ILE 16 HG11 ILE 16 165.494 0.056 -2.133 128 1HG2 ILE 16 HG21 ILE 16 168.724 0.420 -0.353 129 2HG2 ILE 16 HG22 ILE 16 169.711 -0.263 -1.645 130 3HG2 ILE 16 HG23 ILE 16 168.653 -1.308 -0.700 131 1HD1 ILE 16 HD11 ILE 16 166.353 -1.083 0.452 132 2HD1 ILE 16 HD12 ILE 16 166.520 -2.107 -0.974 133 3HD1 ILE 16 HD13 ILE 16 164.942 -1.447 -0.543 134 H ARG 17 HN ARG 17 168.621 -0.265 -4.815 135 HA ARG 17 HA ARG 17 171.380 -0.192 -4.572 136 1HB ARG 17 HB2 ARG 17 170.134 -1.796 -5.979 137 2HB ARG 17 HB1 ARG 17 169.796 -0.508 -7.127 138 1HG ARG 17 HG2 ARG 17 172.633 -1.008 -6.434 139 2HG ARG 17 HG1 ARG 17 171.809 -2.206 -7.434 140 1HD ARG 17 HD2 ARG 17 171.485 -0.724 -9.173 141 2HD ARG 17 HD1 ARG 17 171.576 0.688 -8.126 142 HE ARG 17 HE ARG 17 173.912 0.581 -8.205 143 1HH1 ARG 17 HH11 ARG 17 172.454 -1.991 -10.070 144 2HH1 ARG 17 HH12 ARG 17 173.911 -2.352 -10.933 145 1HH2 ARG 17 HH21 ARG 17 175.822 0.097 -9.336 146 2HH2 ARG 17 HH22 ARG 17 175.821 -1.172 -10.515 147 H GLN 18 HN GLN 18 169.264 1.939 -6.466 148 HA GLN 18 HA GLN 18 171.268 3.394 -7.774 149 1HB GLN 18 HB2 GLN 18 168.405 3.751 -7.201 150 2HB GLN 18 HB1 GLN 18 169.289 5.253 -7.417 151 1HG GLN 18 HG2 GLN 18 168.169 4.098 -9.450 152 2HG GLN 18 HG1 GLN 18 169.764 4.826 -9.617 153 1HE2 GLN 18 HE21 GLN 18 168.008 1.817 -9.295 154 2HE2 GLN 18 HE22 GLN 18 169.253 0.799 -9.924 155 H HIS 19 HN HIS 19 169.539 4.167 -4.757 156 HA HIS 19 HA HIS 19 170.806 6.527 -4.101 157 1HB HIS 19 HB2 HIS 19 169.168 4.591 -2.767 158 2HB HIS 19 HB1 HIS 19 170.465 5.080 -1.685 159 HD1 HIS 19 HD1 HIS 19 168.093 6.942 -4.023 160 HD2 HIS 19 HD2 HIS 19 169.667 7.165 -0.184 161 HE1 HIS 19 HE1 HIS 19 167.063 8.992 -2.993 162 HE2 HIS 19 HE2 HIS 19 167.966 9.060 -0.642 163 H VAL 20 HN VAL 20 171.789 3.231 -3.191 164 HA VAL 20 HA VAL 20 174.113 3.962 -1.793 165 HB VAL 20 HB VAL 20 172.880 1.499 -2.702 166 1HG1 VAL 20 HG11 VAL 20 174.837 1.253 -4.119 167 2HG1 VAL 20 HG12 VAL 20 174.900 0.111 -2.778 168 3HG1 VAL 20 HG13 VAL 20 175.895 1.566 -2.743 169 1HG2 VAL 20 HG21 VAL 20 174.611 2.375 -0.421 170 2HG2 VAL 20 HG22 VAL 20 174.179 0.680 -0.638 171 3HG2 VAL 20 HG23 VAL 20 172.916 1.889 -0.410 172 H ALA 21 HN ALA 21 173.602 3.090 -5.190 173 HA ALA 21 HA ALA 21 176.250 3.030 -6.036 174 1HB ALA 21 HB1 ALA 21 174.226 2.352 -7.355 175 2HB ALA 21 HB2 ALA 21 175.428 3.277 -8.253 176 3HB ALA 21 HB3 ALA 21 173.954 4.063 -7.687 177 H ASP 22 HN ASP 22 173.992 5.787 -6.050 178 HA ASP 22 HA ASP 22 175.727 7.694 -7.099 179 1HB ASP 22 HB2 ASP 22 173.225 7.738 -5.527 180 2HB ASP 22 HB1 ASP 22 174.199 9.201 -5.433 181 H ARG 23 HN ARG 23 175.289 6.600 -3.775 182 HA ARG 23 HA ARG 23 177.033 8.550 -2.635 183 1HB ARG 23 HB2 ARG 23 175.313 6.468 -1.694 184 2HB ARG 23 HB1 ARG 23 176.896 6.263 -0.956 185 1HG ARG 23 HG2 ARG 23 175.393 7.636 0.407 186 2HG ARG 23 HG1 ARG 23 176.834 8.519 -0.100 187 1HD ARG 23 HD2 ARG 23 175.599 9.656 -1.818 188 2HD ARG 23 HD1 ARG 23 174.170 8.672 -1.501 189 HE ARG 23 HE ARG 23 175.050 10.980 -0.032 190 1HH1 ARG 23 HH11 ARG 23 173.180 8.037 0.117 191 2HH1 ARG 23 HH12 ARG 23 172.172 8.596 1.410 192 1HH2 ARG 23 HH21 ARG 23 173.727 11.716 1.670 193 2HH2 ARG 23 HH22 ARG 23 172.483 10.684 2.292 194 H LEU 24 HN LEU 24 177.382 5.087 -3.363 195 HA LEU 24 HA LEU 24 180.023 4.782 -2.531 196 1HB LEU 24 HB2 LEU 24 178.594 2.890 -3.043 197 2HB LEU 24 HB1 LEU 24 178.517 3.368 -4.729 198 HG LEU 24 HG LEU 24 181.257 3.073 -4.129 199 1HD1 LEU 24 HD11 LEU 24 180.862 0.462 -3.594 200 2HD1 LEU 24 HD12 LEU 24 179.553 1.182 -2.653 201 3HD1 LEU 24 HD13 LEU 24 181.221 1.677 -2.367 202 1HD2 LEU 24 HD21 LEU 24 180.355 2.648 -6.293 203 2HD2 LEU 24 HD22 LEU 24 179.288 1.392 -5.667 204 3HD2 LEU 24 HD23 LEU 24 181.033 1.133 -5.697 205 H ALA 25 HN ALA 25 178.738 6.324 -5.342 206 HA ALA 25 HA ALA 25 181.179 6.201 -6.865 207 1HB ALA 25 HB1 ALA 25 179.278 6.304 -8.206 208 2HB ALA 25 HB2 ALA 25 179.927 7.942 -8.282 209 3HB ALA 25 HB3 ALA 25 178.548 7.588 -7.242 210 H LYS 26 HN LYS 26 179.440 8.728 -5.054 211 HA LYS 26 HA LYS 26 181.298 10.781 -5.554 212 1HB LYS 26 HB2 LYS 26 180.191 12.019 -3.830 213 2HB LYS 26 HB1 LYS 26 178.970 11.110 -4.710 214 1HG LYS 26 HG2 LYS 26 178.367 9.944 -2.904 215 2HG LYS 26 HG1 LYS 26 180.033 9.700 -2.382 216 1HD LYS 26 HD2 LYS 26 179.627 11.167 -0.753 217 2HD LYS 26 HD1 LYS 26 179.576 12.416 -1.998 218 1HE LYS 26 HE2 LYS 26 177.069 11.327 -2.158 219 2HE LYS 26 HE1 LYS 26 177.410 11.228 -0.431 220 1HZ LYS 26 HZ1 LYS 26 176.529 13.314 -0.589 221 2HZ LYS 26 HZ2 LYS 26 177.144 13.598 -2.137 222 3HZ LYS 26 HZ3 LYS 26 178.168 13.682 -0.795 223 H LEU 27 HN LEU 27 181.318 8.131 -3.323 224 HA LEU 27 HA LEU 27 182.997 9.039 -1.320 225 1HB LEU 27 HB2 LEU 27 181.823 6.718 -1.749 226 2HB LEU 27 HB1 LEU 27 183.385 6.288 -2.419 227 HG LEU 27 HG LEU 27 183.087 7.410 0.360 228 1HD1 LEU 27 HD11 LEU 27 183.001 4.533 -0.532 229 2HD1 LEU 27 HD12 LEU 27 181.743 5.427 0.325 230 3HD1 LEU 27 HD13 LEU 27 183.268 5.052 1.132 231 1HD2 LEU 27 HD21 LEU 27 185.306 7.410 0.248 232 2HD2 LEU 27 HD22 LEU 27 185.288 6.606 -1.322 233 3HD2 LEU 27 HD23 LEU 27 185.245 5.649 0.161 234 H GLU 28 HN GLU 28 183.731 8.277 -4.626 235 HA GLU 28 HA GLU 28 186.447 7.761 -4.535 236 1HB GLU 28 HB2 GLU 28 184.618 8.967 -6.548 237 2HB GLU 28 HB1 GLU 28 186.346 9.144 -6.816 238 1HG GLU 28 HG2 GLU 28 185.782 6.438 -6.109 239 2HG GLU 28 HG1 GLU 28 184.702 6.938 -7.411 240 H LYS 29 HN LYS 29 184.766 10.719 -3.935 241 HA LYS 29 HA LYS 29 186.942 12.502 -4.363 242 1HB LYS 29 HB2 LYS 29 184.901 13.579 -4.454 243 2HB LYS 29 HB1 LYS 29 184.236 12.665 -3.110 244 1HG LYS 29 HG2 LYS 29 184.481 14.931 -2.429 245 2HG LYS 29 HG1 LYS 29 185.696 13.979 -1.579 246 1HD LYS 29 HD2 LYS 29 187.357 14.678 -3.290 247 2HD LYS 29 HD1 LYS 29 186.125 15.718 -4.005 248 1HE LYS 29 HE2 LYS 29 187.765 16.813 -2.398 249 2HE LYS 29 HE1 LYS 29 186.049 17.113 -2.119 250 1HZ LYS 29 HZ1 LYS 29 187.318 16.590 -0.082 251 2HZ LYS 29 HZ2 LYS 29 187.628 15.044 -0.692 252 3HZ LYS 29 HZ3 LYS 29 186.038 15.517 -0.362 253 H TRP 30 HN TRP 30 186.430 10.181 -1.998 254 HA TRP 30 HA TRP 30 187.754 11.653 0.137 255 1HB TRP 30 HB2 TRP 30 186.295 9.066 -0.083 256 2HB TRP 30 HB1 TRP 30 187.494 9.216 1.194 257 HD1 TRP 30 HD1 TRP 30 183.958 9.996 0.411 258 HE1 TRP 30 HE1 TRP 30 182.924 11.447 2.264 259 HE3 TRP 30 HE3 TRP 30 188.231 11.299 2.899 260 HZ2 TRP 30 HZ2 TRP 30 183.803 12.947 4.492 261 HZ3 TRP 30 HZ3 TRP 30 188.047 12.743 4.882 262 HH2 TRP 30 HH2 TRP 30 185.878 13.552 5.659 263 H GLN 31 HN GLN 31 189.395 11.347 -2.093 264 HA GLN 31 HA GLN 31 191.392 10.507 -2.831 265 1HB GLN 31 HB2 GLN 31 191.622 10.698 0.138 266 2HB GLN 31 HB1 GLN 31 192.937 9.944 -0.754 267 1HG GLN 31 HG2 GLN 31 193.413 11.910 -1.934 268 2HG GLN 31 HG1 GLN 31 191.875 12.649 -1.491 269 1HE2 GLN 31 HE21 GLN 31 194.053 14.121 -1.113 270 2HE2 GLN 31 HE22 GLN 31 194.457 14.233 0.563 271 H THR 32 HN THR 32 189.171 8.505 -2.113 272 HA THR 32 HA THR 32 190.884 6.112 -2.101 273 HB THR 32 HB THR 32 188.602 5.110 -1.123 274 HG1 THR 32 HG1 THR 32 188.667 7.714 -0.027 275 1HG2 THR 32 HG21 THR 32 190.377 4.652 0.224 276 2HG2 THR 32 HG22 THR 32 189.529 5.829 1.227 277 3HG2 THR 32 HG23 THR 32 190.920 6.329 0.266 278 H HIS 33 HN HIS 33 190.029 4.281 -3.307 279 HA HIS 33 HA HIS 33 188.137 5.120 -5.406 280 1HB HIS 33 HB2 HIS 33 189.479 3.202 -6.698 281 2HB HIS 33 HB1 HIS 33 189.984 4.888 -6.709 282 HD1 HIS 33 HD1 HIS 33 192.455 4.837 -6.669 283 HD2 HIS 33 HD2 HIS 33 190.810 2.117 -3.991 284 HE1 HIS 33 HE1 HIS 33 194.408 3.843 -5.434 285 HE2 HIS 33 HE2 HIS 33 193.382 2.260 -3.764 286 H LEU 34 HN LEU 34 188.810 2.800 -2.983 287 HA LEU 34 HA LEU 34 187.680 0.952 -2.268 288 1HB LEU 34 HB2 LEU 34 185.572 1.902 -4.213 289 2HB LEU 34 HB1 LEU 34 185.342 0.652 -3.008 290 HG LEU 34 HG LEU 34 184.338 2.736 -2.273 291 1HD1 LEU 34 HD11 LEU 34 186.297 2.995 -0.296 292 2HD1 LEU 34 HD12 LEU 34 186.367 1.312 -0.821 293 3HD1 LEU 34 HD13 LEU 34 184.845 1.995 -0.250 294 1HD2 LEU 34 HD21 LEU 34 185.491 4.758 -2.015 295 2HD2 LEU 34 HD22 LEU 34 185.986 4.156 -3.597 296 3HD2 LEU 34 HD23 LEU 34 187.065 3.988 -2.212 297 H ILE 35 HN ILE 35 187.563 -1.225 -2.782 298 HA ILE 35 HA ILE 35 188.053 -1.894 -5.613 299 HB ILE 35 HB ILE 35 189.119 -3.510 -3.312 300 1HG1 ILE 35 HG12 ILE 35 190.672 -1.440 -4.875 301 2HG1 ILE 35 HG11 ILE 35 189.994 -1.140 -3.277 302 1HG2 ILE 35 HG21 ILE 35 190.145 -3.337 -6.129 303 2HG2 ILE 35 HG22 ILE 35 188.869 -4.457 -5.654 304 3HG2 ILE 35 HG23 ILE 35 190.466 -4.576 -4.914 305 1HD1 ILE 35 HD11 ILE 35 191.955 -1.838 -2.502 306 2HD1 ILE 35 HD12 ILE 35 192.409 -2.555 -4.048 307 3HD1 ILE 35 HD13 ILE 35 191.407 -3.462 -2.914 308 H ASN 36 HN ASN 36 187.244 -3.609 -2.591 309 HA ASN 36 HA ASN 36 185.198 -5.108 -4.083 310 1HB ASN 36 HB2 ASN 36 186.972 -6.499 -3.120 311 2HB ASN 36 HB1 ASN 36 186.646 -5.829 -1.525 312 1HD2 ASN 36 HD21 ASN 36 186.523 -8.301 -1.304 313 2HD2 ASN 36 HD22 ASN 36 184.935 -8.977 -1.415 314 HA PRO 37 HA PRO 37 182.578 -2.758 -1.208 315 1HB PRO 37 HB2 PRO 37 180.676 -2.071 -2.954 316 2HB PRO 37 HB1 PRO 37 182.245 -1.260 -2.943 317 1HG PRO 37 HG2 PRO 37 181.163 -3.252 -4.850 318 2HG PRO 37 HG1 PRO 37 182.336 -1.956 -5.119 319 1HD PRO 37 HD2 PRO 37 182.873 -4.719 -4.677 320 2HD PRO 37 HD1 PRO 37 184.050 -3.399 -4.819 321 H HIS 38 HN HIS 38 182.055 -4.709 -0.065 322 HA HIS 38 HA HIS 38 179.934 -6.377 -1.157 323 1HB HIS 38 HB2 HIS 38 182.077 -6.840 0.605 324 2HB HIS 38 HB1 HIS 38 180.616 -7.008 1.576 325 HD1 HIS 38 HD1 HIS 38 182.638 -9.318 0.515 326 HD2 HIS 38 HD2 HIS 38 178.818 -8.448 -0.868 327 HE1 HIS 38 HE1 HIS 38 181.814 -11.436 -0.564 328 HE2 HIS 38 HE2 HIS 38 179.536 -10.858 -1.470 329 H ILE 39 HN ILE 39 178.084 -5.191 -1.128 330 HA ILE 39 HA ILE 39 177.298 -3.820 1.321 331 HB ILE 39 HB ILE 39 175.795 -3.938 -1.288 332 1HG1 ILE 39 HG12 ILE 39 177.808 -1.894 -0.324 333 2HG1 ILE 39 HG11 ILE 39 178.038 -3.021 -1.656 334 1HG2 ILE 39 HG21 ILE 39 175.633 -2.091 1.087 335 2HG2 ILE 39 HG22 ILE 39 174.418 -3.255 0.560 336 3HG2 ILE 39 HG23 ILE 39 174.777 -1.844 -0.436 337 1HD1 ILE 39 HD11 ILE 39 176.281 -0.611 -1.509 338 2HD1 ILE 39 HD12 ILE 39 175.961 -1.896 -2.674 339 3HD1 ILE 39 HD13 ILE 39 177.500 -1.035 -2.710 340 H ILE 40 HN ILE 40 176.098 -4.768 2.799 341 HA ILE 40 HA ILE 40 174.358 -7.014 2.004 342 HB ILE 40 HB ILE 40 175.323 -6.540 4.813 343 1HG1 ILE 40 HG12 ILE 40 176.685 -8.272 2.740 344 2HG1 ILE 40 HG11 ILE 40 177.296 -6.720 3.303 345 1HG2 ILE 40 HG21 ILE 40 173.964 -8.724 3.326 346 2HG2 ILE 40 HG22 ILE 40 173.664 -8.100 4.949 347 3HG2 ILE 40 HG23 ILE 40 175.044 -9.158 4.652 348 1HD1 ILE 40 HD11 ILE 40 176.744 -8.915 5.249 349 2HD1 ILE 40 HD12 ILE 40 177.853 -7.551 5.383 350 3HD1 ILE 40 HD13 ILE 40 178.236 -8.899 4.311 351 H LEU 41 HN LEU 41 172.569 -5.676 1.521 352 HA LEU 41 HA LEU 41 171.495 -4.106 3.757 353 1HB LEU 41 HB2 LEU 41 171.525 -2.700 1.944 354 2HB LEU 41 HB1 LEU 41 171.230 -3.990 0.798 355 HG LEU 41 HG LEU 41 168.930 -3.557 2.523 356 1HD1 LEU 41 HD11 LEU 41 168.301 -1.381 1.488 357 2HD1 LEU 41 HD12 LEU 41 169.962 -1.232 0.913 358 3HD1 LEU 41 HD13 LEU 41 169.630 -1.275 2.643 359 1HD2 LEU 41 HD21 LEU 41 169.579 -3.891 -0.347 360 2HD2 LEU 41 HD22 LEU 41 168.064 -3.079 0.048 361 3HD2 LEU 41 HD23 LEU 41 168.373 -4.708 0.649 362 H SER 42 HN SER 42 170.415 -5.506 5.039 363 HA SER 42 HA SER 42 168.349 -7.196 3.779 364 1HB SER 42 HB2 SER 42 169.829 -7.565 6.388 365 2HB SER 42 HB1 SER 42 168.493 -8.576 5.840 366 HG SER 42 HG SER 42 171.031 -8.865 5.268 367 H LYS 43 HN LYS 43 166.341 -7.464 4.954 368 HA LYS 43 HA LYS 43 165.497 -4.973 6.196 369 1HB LYS 43 HB2 LYS 43 164.194 -6.414 4.417 370 2HB LYS 43 HB1 LYS 43 163.664 -7.312 5.832 371 1HG LYS 43 HG2 LYS 43 163.235 -4.710 6.577 372 2HG LYS 43 HG1 LYS 43 162.852 -4.691 4.855 373 1HD LYS 43 HD2 LYS 43 160.816 -5.275 5.761 374 2HD LYS 43 HD1 LYS 43 161.511 -6.863 5.435 375 1HE LYS 43 HE2 LYS 43 160.588 -6.938 7.624 376 2HE LYS 43 HE1 LYS 43 162.342 -6.878 7.800 377 1HZ LYS 43 HZ1 LYS 43 161.084 -5.387 9.325 378 2HZ LYS 43 HZ2 LYS 43 160.601 -4.485 7.978 379 3HZ LYS 43 HZ3 LYS 43 162.240 -4.594 8.376 380 H GLU 44 HN GLU 44 166.005 -4.799 8.286 381 HA GLU 44 HA GLU 44 165.774 -7.135 10.023 382 1HB GLU 44 HB2 GLU 44 167.488 -4.867 9.943 383 2HB GLU 44 HB1 GLU 44 166.600 -4.808 11.454 384 1HG GLU 44 HG2 GLU 44 168.780 -5.988 11.587 385 2HG GLU 44 HG1 GLU 44 167.398 -6.947 12.108 386 HA PRO 45 HA PRO 45 161.811 -6.402 11.790 387 1HB PRO 45 HB2 PRO 45 163.030 -6.278 14.440 388 2HB PRO 45 HB1 PRO 45 161.931 -7.481 13.781 389 1HG PRO 45 HG2 PRO 45 164.809 -7.602 14.057 390 2HG PRO 45 HG1 PRO 45 163.688 -8.886 13.582 391 1HD PRO 45 HD2 PRO 45 165.524 -7.735 11.901 392 2HD PRO 45 HD1 PRO 45 164.023 -8.509 11.355 393 H GLN 46 HN GLN 46 164.484 -4.657 13.342 394 HA GLN 46 HA GLN 46 162.714 -2.373 13.780 395 1HB GLN 46 HB2 GLN 46 164.454 -3.653 15.438 396 2HB GLN 46 HB1 GLN 46 165.422 -2.282 14.903 397 1HG GLN 46 HG2 GLN 46 164.375 -0.965 16.327 398 2HG GLN 46 HG1 GLN 46 162.832 -1.328 15.556 399 1HE2 GLN 46 HE21 GLN 46 162.646 -4.035 16.159 400 2HE2 GLN 46 HE22 GLN 46 162.431 -4.216 17.864 401 H GLY 47 HN GLY 47 163.710 -2.791 11.101 402 1HA GLY 47 HA2 GLY 47 164.136 -0.657 9.849 403 2HA GLY 47 HA1 GLY 47 165.535 -0.473 10.889 404 H PHE 48 HN PHE 48 166.123 -0.242 8.404 405 HA PHE 48 HA PHE 48 166.765 -2.756 7.114 406 1HB PHE 48 HB2 PHE 48 166.440 -0.046 6.298 407 2HB PHE 48 HB1 PHE 48 168.090 -0.523 5.906 408 HD1 PHE 48 HD1 PHE 48 165.371 0.037 4.253 409 HD2 PHE 48 HD2 PHE 48 167.724 -3.344 5.231 410 HE1 PHE 48 HE1 PHE 48 164.583 -1.088 2.210 411 HE2 PHE 48 HE2 PHE 48 166.946 -4.493 3.199 412 HZ PHE 48 HZ PHE 48 165.371 -3.360 1.684 413 H VAL 49 HN VAL 49 168.788 -3.648 6.909 414 HA VAL 49 HA VAL 49 170.928 -2.439 8.539 415 HB VAL 49 HB VAL 49 170.647 -5.335 7.719 416 1HG1 VAL 49 HG11 VAL 49 172.952 -4.231 8.254 417 2HG1 VAL 49 HG12 VAL 49 172.542 -5.797 8.951 418 3HG1 VAL 49 HG13 VAL 49 172.395 -4.334 9.925 419 1HG2 VAL 49 HG21 VAL 49 170.404 -5.216 10.456 420 2HG2 VAL 49 HG22 VAL 49 169.088 -5.434 9.306 421 3HG2 VAL 49 HG23 VAL 49 169.471 -3.823 9.910 422 H ALA 50 HN ALA 50 171.734 -1.111 6.838 423 HA ALA 50 HA ALA 50 172.629 -2.427 4.396 424 1HB ALA 50 HB1 ALA 50 172.806 0.483 5.162 425 2HB ALA 50 HB2 ALA 50 171.477 -0.252 4.266 426 3HB ALA 50 HB3 ALA 50 173.093 -0.207 3.564 427 H ASP 51 HN ASP 51 174.338 -3.708 5.175 428 HA ASP 51 HA ASP 51 176.601 -2.344 6.420 429 1HB ASP 51 HB2 ASP 51 175.630 -5.111 6.288 430 2HB ASP 51 HB1 ASP 51 177.373 -4.965 6.084 431 H ALA 52 HN ALA 52 177.615 -1.180 4.849 432 HA ALA 52 HA ALA 52 178.282 -2.490 2.324 433 1HB ALA 52 HB1 ALA 52 177.645 -0.450 1.638 434 2HB ALA 52 HB2 ALA 52 179.284 0.019 2.088 435 3HB ALA 52 HB3 ALA 52 177.950 0.284 3.211 436 H THR 53 HN THR 53 179.968 -3.851 2.771 437 HA THR 53 HA THR 53 182.299 -2.823 4.190 438 HB THR 53 HB THR 53 182.449 -5.521 3.023 439 HG1 THR 53 HG1 THR 53 180.458 -5.960 3.557 440 1HG2 THR 53 HG21 THR 53 183.667 -4.215 5.106 441 2HG2 THR 53 HG22 THR 53 183.715 -5.948 4.793 442 3HG2 THR 53 HG23 THR 53 182.522 -5.288 5.912 443 H ILE 54 HN ILE 54 183.417 -1.468 2.875 444 HA ILE 54 HA ILE 54 184.098 -2.431 0.179 445 HB ILE 54 HB ILE 54 184.795 0.347 0.878 446 1HG1 ILE 54 HG12 ILE 54 181.907 -0.515 0.581 447 2HG1 ILE 54 HG11 ILE 54 182.640 0.168 2.030 448 1HG2 ILE 54 HG21 ILE 54 183.476 -1.010 -1.463 449 2HG2 ILE 54 HG22 ILE 54 185.144 -0.449 -1.349 450 3HG2 ILE 54 HG23 ILE 54 183.821 0.718 -1.388 451 1HD1 ILE 54 HD11 ILE 54 181.418 1.896 0.999 452 2HD1 ILE 54 HD12 ILE 54 182.101 1.532 -0.586 453 3HD1 ILE 54 HD13 ILE 54 183.119 2.229 0.675 454 H ASN 55 HN ASN 55 186.182 -2.774 -0.411 455 HA ASN 55 HA ASN 55 188.178 -2.585 1.721 456 1HB ASN 55 HB2 ASN 55 187.557 -4.668 0.104 457 2HB ASN 55 HB1 ASN 55 188.891 -3.953 -0.794 458 1HD2 ASN 55 HD21 ASN 55 190.443 -2.999 1.270 459 2HD2 ASN 55 HD22 ASN 55 191.060 -4.331 2.180 460 H THR 56 HN THR 56 188.893 -0.477 1.627 461 HA THR 56 HA THR 56 189.865 0.578 -0.920 462 HB THR 56 HB THR 56 190.463 2.463 1.011 463 HG1 THR 56 HG1 THR 56 188.896 2.472 2.483 464 1HG2 THR 56 HG21 THR 56 188.170 2.097 -0.838 465 2HG2 THR 56 HG22 THR 56 189.437 3.319 -0.841 466 3HG2 THR 56 HG23 THR 56 188.130 3.407 0.340 467 HA PRO 57 HA PRO 57 194.178 -0.049 -0.213 468 1HB PRO 57 HB2 PRO 57 195.305 2.448 -0.387 469 2HB PRO 57 HB1 PRO 57 194.797 1.492 -1.783 470 1HG PRO 57 HG2 PRO 57 193.374 3.727 -0.395 471 2HG PRO 57 HG1 PRO 57 193.517 3.395 -2.132 472 1HD PRO 57 HD2 PRO 57 191.291 2.797 -0.746 473 2HD PRO 57 HD1 PRO 57 191.857 1.784 -2.088 474 H ASN 58 HN ASN 58 192.556 2.295 1.780 475 HA ASN 58 HA ASN 58 194.672 2.148 3.804 476 1HB ASN 58 HB2 ASN 58 193.300 3.968 4.923 477 2HB ASN 58 HB1 ASN 58 194.040 4.401 3.385 478 1HD2 ASN 58 HD21 ASN 58 191.354 4.775 5.121 479 2HD2 ASN 58 HD22 ASN 58 190.181 4.939 3.865 480 H GLY 59 HN GLY 59 192.845 -0.073 3.213 481 1HA GLY 59 HA2 GLY 59 192.218 -1.688 4.877 482 2HA GLY 59 HA1 GLY 59 191.732 -0.362 5.923 483 H VAL 60 HN VAL 60 189.904 -2.172 5.859 484 HA VAL 60 HA VAL 60 188.056 -1.739 3.649 485 HB VAL 60 HB VAL 60 187.424 -3.406 6.062 486 1HG1 VAL 60 HG11 VAL 60 186.749 -3.949 3.191 487 2HG1 VAL 60 HG12 VAL 60 185.784 -2.849 4.174 488 3HG1 VAL 60 HG13 VAL 60 185.950 -4.541 4.649 489 1HG2 VAL 60 HG21 VAL 60 189.404 -4.461 5.642 490 2HG2 VAL 60 HG22 VAL 60 189.434 -3.969 3.948 491 3HG2 VAL 60 HG23 VAL 60 188.387 -5.292 4.465 492 H LEU 61 HN LEU 61 186.248 -0.541 3.741 493 HA LEU 61 HA LEU 61 185.676 0.849 6.270 494 1HB LEU 61 HB2 LEU 61 184.881 1.712 3.496 495 2HB LEU 61 HB1 LEU 61 184.783 2.655 4.968 496 HG LEU 61 HG LEU 61 187.262 1.858 3.457 497 1HD1 LEU 61 HD11 LEU 61 185.989 3.820 2.660 498 2HD1 LEU 61 HD12 LEU 61 187.604 4.230 3.240 499 3HD1 LEU 61 HD13 LEU 61 186.194 4.562 4.247 500 1HD2 LEU 61 HD21 LEU 61 188.005 3.550 5.540 501 2HD2 LEU 61 HD22 LEU 61 188.376 1.833 5.381 502 3HD2 LEU 61 HD23 LEU 61 186.952 2.346 6.287 503 H VAL 62 HN VAL 62 183.996 0.010 7.311 504 HA VAL 62 HA VAL 62 181.873 -1.309 5.819 505 HB VAL 62 HB VAL 62 182.960 -1.534 8.510 506 1HG1 VAL 62 HG11 VAL 62 181.005 -0.496 9.353 507 2HG1 VAL 62 HG12 VAL 62 180.768 -2.233 9.544 508 3HG1 VAL 62 HG13 VAL 62 179.968 -1.374 8.228 509 1HG2 VAL 62 HG21 VAL 62 181.078 -3.558 7.566 510 2HG2 VAL 62 HG22 VAL 62 182.765 -3.711 8.057 511 3HG2 VAL 62 HG23 VAL 62 182.367 -3.185 6.422 512 H ALA 63 HN ALA 63 180.353 -0.013 5.032 513 HA ALA 63 HA ALA 63 179.556 2.384 6.491 514 1HB ALA 63 HB1 ALA 63 179.521 1.523 3.702 515 2HB ALA 63 HB2 ALA 63 179.610 3.144 4.388 516 3HB ALA 63 HB3 ALA 63 178.047 2.349 4.206 517 H SER 64 HN SER 64 178.436 1.325 8.207 518 HA SER 64 HA SER 64 176.188 -0.373 7.634 519 1HB SER 64 HB2 SER 64 176.413 0.855 10.318 520 2HB SER 64 HB1 SER 64 176.167 -0.830 9.863 521 HG SER 64 HG SER 64 178.449 0.439 10.522 522 H GLY 65 HN GLY 65 174.352 0.406 6.855 523 1HA GLY 65 HA2 GLY 65 173.478 3.087 7.733 524 2HA GLY 65 HA1 GLY 65 173.067 2.368 6.182 525 H LYS 66 HN LYS 66 172.568 2.086 9.667 526 HA LYS 66 HA LYS 66 170.245 0.391 9.218 527 1HB LYS 66 HB2 LYS 66 172.077 0.214 11.132 528 2HB LYS 66 HB1 LYS 66 170.990 1.335 11.940 529 1HG LYS 66 HG2 LYS 66 169.956 -1.204 10.743 530 2HG LYS 66 HG1 LYS 66 170.700 -1.188 12.342 531 1HD LYS 66 HD2 LYS 66 168.503 0.728 11.634 532 2HD LYS 66 HD1 LYS 66 168.143 -0.913 12.172 533 1HE LYS 66 HE2 LYS 66 169.778 1.119 13.689 534 2HE LYS 66 HE1 LYS 66 168.100 0.693 14.027 535 1HZ LYS 66 HZ1 LYS 66 170.540 -0.765 14.624 536 2HZ LYS 66 HZ2 LYS 66 169.237 -1.707 14.097 537 3HZ LYS 66 HZ3 LYS 66 169.070 -0.721 15.463 538 H HIS 67 HN HIS 67 168.217 1.128 9.168 539 HA HIS 67 HA HIS 67 167.273 3.258 10.766 540 1HB HIS 67 HB2 HIS 67 168.730 4.349 8.847 541 2HB HIS 67 HB1 HIS 67 167.258 4.119 7.910 542 HD1 HIS 67 HD1 HIS 67 168.639 6.053 10.803 543 HD2 HIS 67 HD2 HIS 67 165.140 5.805 8.578 544 HE1 HIS 67 HE1 HIS 67 167.279 8.061 11.466 545 HE2 HIS 67 HE2 HIS 67 165.131 7.847 10.166 546 H GLU 68 HN GLU 68 165.049 3.666 10.547 547 HA GLU 68 HA GLU 68 163.549 1.444 9.564 548 1HB GLU 68 HB2 GLU 68 162.987 2.717 11.627 549 2HB GLU 68 HB1 GLU 68 162.546 4.091 10.624 550 1HG GLU 68 HG2 GLU 68 160.597 2.814 11.360 551 2HG GLU 68 HG1 GLU 68 160.760 2.825 9.605 552 H ASP 69 HN ASP 69 164.597 2.079 7.299 553 HA ASP 69 HA ASP 69 162.594 2.553 5.502 554 1HB ASP 69 HB2 ASP 69 163.606 5.049 6.638 555 2HB ASP 69 HB1 ASP 69 163.720 5.004 4.882 556 H MET 70 HN MET 70 163.334 2.666 3.298 557 HA MET 70 HA MET 70 165.895 1.426 2.995 558 1HB MET 70 HB2 MET 70 165.217 0.836 0.896 559 2HB MET 70 HB1 MET 70 163.654 1.116 1.640 560 1HG MET 70 HG2 MET 70 163.505 3.292 0.614 561 2HG MET 70 HG1 MET 70 165.129 3.122 -0.050 562 1HE MET 70 HE1 MET 70 162.109 0.778 0.351 563 2HE MET 70 HE2 MET 70 161.555 0.505 -1.301 564 3HE MET 70 HE3 MET 70 161.290 2.068 -0.529 565 H TYR 71 HN TYR 71 164.535 4.481 1.757 566 HA TYR 71 HA TYR 71 167.029 5.380 0.735 567 1HB TYR 71 HB2 TYR 71 164.367 6.672 1.214 568 2HB TYR 71 HB1 TYR 71 165.761 7.672 0.820 569 HD1 TYR 71 HD1 TYR 71 163.078 7.027 -0.745 570 HD2 TYR 71 HD2 TYR 71 167.110 5.707 -1.081 571 HE1 TYR 71 HE1 TYR 71 162.726 6.565 -3.135 572 HE2 TYR 71 HE2 TYR 71 166.769 5.239 -3.462 573 HH TYR 71 HH TYR 71 163.893 6.240 -5.141 574 H THR 72 HN THR 72 165.272 5.961 3.744 575 HA THR 72 HA THR 72 167.030 7.914 4.771 576 HB THR 72 HB THR 72 165.679 6.028 6.642 577 HG1 THR 72 HG1 THR 72 164.349 7.703 4.797 578 1HG2 THR 72 HG21 THR 72 165.077 8.003 7.833 579 2HG2 THR 72 HG22 THR 72 165.618 9.029 6.504 580 3HG2 THR 72 HG23 THR 72 166.792 8.098 7.434 581 H ALA 73 HN ALA 73 167.102 4.418 4.710 582 HA ALA 73 HA ALA 73 169.126 4.005 6.626 583 1HB ALA 73 HB1 ALA 73 169.493 1.925 4.951 584 2HB ALA 73 HB2 ALA 73 167.873 2.428 4.472 585 3HB ALA 73 HB3 ALA 73 168.203 1.999 6.151 586 H ILE 74 HN ILE 74 169.287 4.339 3.082 587 HA ILE 74 HA ILE 74 172.027 4.039 2.751 588 HB ILE 74 HB ILE 74 171.017 6.203 1.069 589 1HG1 ILE 74 HG12 ILE 74 168.873 4.932 1.562 590 2HG1 ILE 74 HG11 ILE 74 169.320 5.055 -0.131 591 1HG2 ILE 74 HG21 ILE 74 171.834 3.479 0.152 592 2HG2 ILE 74 HG22 ILE 74 173.020 4.609 0.803 593 3HG2 ILE 74 HG23 ILE 74 172.080 5.044 -0.622 594 1HD1 ILE 74 HD11 ILE 74 168.600 2.864 0.130 595 2HD1 ILE 74 HD12 ILE 74 169.447 2.668 1.666 596 3HD1 ILE 74 HD13 ILE 74 170.359 2.743 0.158 597 H ASN 75 HN ASN 75 170.202 6.998 3.465 598 HA ASN 75 HA ASN 75 172.264 8.839 3.391 599 1HB ASN 75 HB2 ASN 75 169.741 8.688 5.016 600 2HB ASN 75 HB1 ASN 75 170.867 10.027 5.227 601 1HD2 ASN 75 HD21 ASN 75 168.666 8.443 3.046 602 2HD2 ASN 75 HD22 ASN 75 168.525 9.748 1.922 603 H GLU 76 HN GLU 76 171.030 7.297 6.368 604 HA GLU 76 HA GLU 76 173.008 8.184 8.085 605 1HB GLU 76 HB2 GLU 76 171.115 5.900 8.073 606 2HB GLU 76 HB1 GLU 76 172.459 5.804 9.201 607 1HG GLU 76 HG2 GLU 76 170.664 8.201 9.046 608 2HG GLU 76 HG1 GLU 76 170.302 6.808 10.061 609 H LEU 77 HN LEU 77 173.120 5.599 5.741 610 HA LEU 77 HA LEU 77 175.352 4.214 6.735 611 1HB LEU 77 HB2 LEU 77 174.499 2.922 5.118 612 2HB LEU 77 HB1 LEU 77 173.798 4.280 4.268 613 HG LEU 77 HG LEU 77 176.730 3.961 3.994 614 1HD1 LEU 77 HD11 LEU 77 174.881 2.121 2.501 615 2HD1 LEU 77 HD12 LEU 77 175.785 1.625 3.930 616 3HD1 LEU 77 HD13 LEU 77 176.645 2.148 2.482 617 1HD2 LEU 77 HD21 LEU 77 174.409 4.704 2.241 618 2HD2 LEU 77 HD22 LEU 77 176.012 4.389 1.579 619 3HD2 LEU 77 HD23 LEU 77 175.779 5.696 2.737 620 H ILE 78 HN ILE 78 175.129 6.934 4.446 621 HA ILE 78 HA ILE 78 177.906 7.055 3.929 622 HB ILE 78 HB ILE 78 175.935 8.191 2.654 623 1HG1 ILE 78 HG12 ILE 78 178.759 9.026 3.024 624 2HG1 ILE 78 HG11 ILE 78 177.936 8.448 1.581 625 1HG2 ILE 78 HG21 ILE 78 176.720 10.635 4.168 626 2HG2 ILE 78 HG22 ILE 78 175.479 9.579 4.836 627 3HG2 ILE 78 HG23 ILE 78 175.256 10.300 3.244 628 1HD1 ILE 78 HD11 ILE 78 178.574 10.697 1.198 629 2HD1 ILE 78 HD12 ILE 78 177.884 11.222 2.734 630 3HD1 ILE 78 HD13 ILE 78 176.826 10.685 1.429 631 H ASN 79 HN ASN 79 175.872 8.486 6.407 632 HA ASN 79 HA ASN 79 177.631 10.395 7.423 633 1HB ASN 79 HB2 ASN 79 175.675 8.700 8.990 634 2HB ASN 79 HB1 ASN 79 176.364 10.235 9.511 635 1HD2 ASN 79 HD21 ASN 79 173.712 10.034 9.517 636 2HD2 ASN 79 HD22 ASN 79 173.012 10.933 8.219 637 H LYS 80 HN LYS 80 177.153 7.066 8.619 638 HA LYS 80 HA LYS 80 179.274 7.097 10.450 639 1HB LYS 80 HB2 LYS 80 178.407 4.596 9.026 640 2HB LYS 80 HB1 LYS 80 178.967 4.778 10.681 641 1HG LYS 80 HG2 LYS 80 176.308 5.614 9.550 642 2HG LYS 80 HG1 LYS 80 176.628 4.339 10.722 643 1HD LYS 80 HD2 LYS 80 176.728 5.780 12.445 644 2HD LYS 80 HD1 LYS 80 177.610 6.990 11.511 645 1HE LYS 80 HE2 LYS 80 175.279 7.241 10.298 646 2HE LYS 80 HE1 LYS 80 174.678 6.586 11.821 647 1HZ LYS 80 HZ1 LYS 80 174.686 8.962 11.935 648 2HZ LYS 80 HZ2 LYS 80 176.309 9.041 11.467 649 3HZ LYS 80 HZ3 LYS 80 175.893 8.382 12.969 650 H LEU 81 HN LEU 81 179.152 6.093 7.063 651 HA LEU 81 HA LEU 81 181.658 4.965 6.788 652 1HB LEU 81 HB2 LEU 81 179.740 5.196 5.091 653 2HB LEU 81 HB1 LEU 81 180.453 6.743 4.685 654 HG LEU 81 HG LEU 81 181.043 4.749 3.207 655 1HD1 LEU 81 HD11 LEU 81 182.641 6.935 4.169 656 2HD1 LEU 81 HD12 LEU 81 182.542 6.241 2.553 657 3HD1 LEU 81 HD13 LEU 81 183.664 5.565 3.734 658 1HD2 LEU 81 HD21 LEU 81 183.177 4.073 5.150 659 2HD2 LEU 81 HD22 LEU 81 182.387 3.069 3.933 660 3HD2 LEU 81 HD23 LEU 81 181.565 3.423 5.455 661 H GLU 82 HN GLU 82 180.802 8.374 6.163 662 HA GLU 82 HA GLU 82 183.327 9.331 5.582 663 1HB GLU 82 HB2 GLU 82 180.795 10.501 6.526 664 2HB GLU 82 HB1 GLU 82 182.225 11.455 6.890 665 1HG GLU 82 HG2 GLU 82 181.621 12.299 4.849 666 2HG GLU 82 HG1 GLU 82 182.790 11.064 4.381 667 H ARG 83 HN ARG 83 181.749 9.172 8.770 668 HA ARG 83 HA ARG 83 183.772 10.323 10.287 669 1HB ARG 83 HB2 ARG 83 181.555 9.840 11.186 670 2HB ARG 83 HB1 ARG 83 181.856 8.113 11.056 671 1HG ARG 83 HG2 ARG 83 182.876 8.059 13.025 672 2HG ARG 83 HG1 ARG 83 183.919 9.417 12.598 673 1HD ARG 83 HD2 ARG 83 181.628 10.739 12.997 674 2HD ARG 83 HD1 ARG 83 181.354 9.372 14.075 675 HE ARG 83 HE ARG 83 182.839 10.309 15.519 676 1HH1 ARG 83 HH11 ARG 83 183.517 11.534 12.321 677 2HH1 ARG 83 HH12 ARG 83 184.762 12.610 12.861 678 1HH2 ARG 83 HH21 ARG 83 184.477 11.722 16.231 679 2HH2 ARG 83 HH22 ARG 83 185.308 12.717 15.082 680 H GLN 84 HN GLN 84 183.272 6.888 9.519 681 HA GLN 84 HA GLN 84 185.633 6.023 10.849 682 1HB GLN 84 HB2 GLN 84 184.157 4.287 10.683 683 2HB GLN 84 HB1 GLN 84 183.550 4.807 9.121 684 1HG GLN 84 HG2 GLN 84 186.314 3.841 9.063 685 2HG GLN 84 HG1 GLN 84 185.127 2.635 9.562 686 1HE2 GLN 84 HE21 GLN 84 183.418 2.116 8.143 687 2HE2 GLN 84 HE22 GLN 84 183.561 2.383 6.443 688 H LEU 85 HN LEU 85 184.919 7.110 7.604 689 HA LEU 85 HA LEU 85 187.330 6.140 6.428 690 1HB LEU 85 HB2 LEU 85 185.099 6.869 5.306 691 2HB LEU 85 HB1 LEU 85 185.796 8.479 5.357 692 HG LEU 85 HG LEU 85 187.314 6.206 4.121 693 1HD1 LEU 85 HD11 LEU 85 185.410 6.003 2.839 694 2HD1 LEU 85 HD12 LEU 85 186.331 7.204 1.933 695 3HD1 LEU 85 HD13 LEU 85 185.005 7.714 2.979 696 1HD2 LEU 85 HD21 LEU 85 188.343 8.004 2.843 697 2HD2 LEU 85 HD22 LEU 85 188.488 8.307 4.574 698 3HD2 LEU 85 HD23 LEU 85 187.286 9.181 3.623 699 H ASN 86 HN ASN 86 186.301 9.498 7.103 700 HA ASN 86 HA ASN 86 188.774 10.661 6.654 701 1HB ASN 86 HB2 ASN 86 187.904 12.637 7.514 702 2HB ASN 86 HB1 ASN 86 186.466 11.770 6.991 703 1HD2 ASN 86 HD21 ASN 86 185.973 10.048 8.951 704 2HD2 ASN 86 HD22 ASN 86 185.683 10.865 10.438 705 H LYS 87 HN LYS 87 187.591 9.060 9.550 706 HA LYS 87 HA LYS 87 189.640 10.059 11.253 707 1HB LYS 87 HB2 LYS 87 188.776 8.703 12.912 708 2HB LYS 87 HB1 LYS 87 187.376 8.936 11.880 709 1HG LYS 87 HG2 LYS 87 187.255 6.690 12.266 710 2HG LYS 87 HG1 LYS 87 188.202 6.703 10.780 711 1HD LYS 87 HD2 LYS 87 190.253 6.741 12.340 712 2HD LYS 87 HD1 LYS 87 189.121 6.242 13.597 713 1HE LYS 87 HE2 LYS 87 189.579 4.795 10.991 714 2HE LYS 87 HE1 LYS 87 190.281 4.338 12.543 715 1HZ LYS 87 HZ1 LYS 87 188.107 3.906 13.409 716 2HZ LYS 87 HZ2 LYS 87 188.272 3.063 11.954 717 3HZ LYS 87 HZ3 LYS 87 187.366 4.489 12.005 718 H LEU 88 HN LEU 88 189.304 7.081 9.346 719 HA LEU 88 HA LEU 88 191.810 6.011 10.227 720 1HB LEU 88 HB2 LEU 88 189.627 4.939 9.029 721 2HB LEU 88 HB1 LEU 88 190.701 5.088 7.651 722 HG LEU 88 HG LEU 88 191.067 3.432 10.133 723 1HD1 LEU 88 HD11 LEU 88 191.683 1.791 8.207 724 2HD1 LEU 88 HD12 LEU 88 190.806 2.943 7.200 725 3HD1 LEU 88 HD13 LEU 88 189.991 2.154 8.551 726 1HD2 LEU 88 HD21 LEU 88 193.171 4.579 9.842 727 2HD2 LEU 88 HD22 LEU 88 193.179 4.197 8.120 728 3HD2 LEU 88 HD23 LEU 88 193.338 2.906 9.309 729 H GLN 89 HN GLN 89 190.824 8.217 7.773 730 HA GLN 89 HA GLN 89 193.266 7.906 6.232 731 1HB GLN 89 HB2 GLN 89 190.727 8.655 5.550 732 2HB GLN 89 HB1 GLN 89 191.542 10.211 5.640 733 1HG GLN 89 HG2 GLN 89 193.192 9.483 4.038 734 2HG GLN 89 HG1 GLN 89 192.486 7.868 4.004 735 1HE2 GLN 89 HE21 GLN 89 192.023 7.906 1.837 736 2HE2 GLN 89 HE22 GLN 89 190.797 8.912 1.151 737 H HIS 90 HN HIS 90 191.781 10.268 8.399 738 HA HIS 90 HA HIS 90 193.820 12.229 8.091 739 1HB HIS 90 HB2 HIS 90 191.410 12.532 8.965 740 2HB HIS 90 HB1 HIS 90 192.051 11.993 10.513 741 HD1 HIS 90 HD1 HIS 90 194.009 14.229 8.216 742 HD2 HIS 90 HD2 HIS 90 191.812 14.475 11.734 743 HE1 HIS 90 HE1 HIS 90 194.468 16.524 9.137 744 HE2 HIS 90 HE2 HIS 90 193.057 16.682 11.218 745 H LYS 91 HN LYS 91 195.594 10.565 8.327 746 HA LYS 91 HA LYS 91 196.974 10.965 10.717 747 1HB LYS 91 HB2 LYS 91 195.069 8.817 10.850 748 2HB LYS 91 HB1 LYS 91 196.697 8.166 10.987 749 1HG LYS 91 HG2 LYS 91 197.147 9.752 12.816 750 2HG LYS 91 HG1 LYS 91 195.482 10.323 12.702 751 1HD LYS 91 HD2 LYS 91 194.829 8.678 14.047 752 2HD LYS 91 HD1 LYS 91 195.415 7.491 12.881 753 1HE LYS 91 HE2 LYS 91 196.990 6.888 14.323 754 2HE LYS 91 HE1 LYS 91 197.676 8.510 14.233 755 1HZ LYS 91 HZ1 LYS 91 195.602 7.559 16.133 756 2HZ LYS 91 HZ2 LYS 91 196.095 9.171 15.993 757 3HZ LYS 91 HZ3 LYS 91 197.197 7.991 16.502 758 H GLY 92 HN GLY 92 196.499 8.294 8.390 759 1HA GLY 92 HA2 GLY 92 199.413 8.333 7.931 760 2HA GLY 92 HA1 GLY 92 198.383 6.931 7.690 761 H GLU 93 HN GLU 93 197.771 6.492 5.681 762 HA GLU 93 HA GLU 93 197.348 6.690 3.456 763 1HB GLU 93 HB2 GLU 93 195.837 8.534 4.188 764 2HB GLU 93 HB1 GLU 93 197.168 9.663 3.971 765 1HG GLU 93 HG2 GLU 93 195.719 9.759 2.063 766 2HG GLU 93 HG1 GLU 93 197.265 9.054 1.588 767 H ALA 94 HN ALA 94 199.613 6.001 3.303 768 HA ALA 94 HA ALA 94 201.056 7.663 1.490 769 1HB ALA 94 HB1 ALA 94 201.588 8.570 3.848 770 2HB ALA 94 HB2 ALA 94 202.921 8.276 2.730 771 3HB ALA 94 HB3 ALA 94 202.573 7.118 4.013 772 H ARG 95 HN ARG 95 202.888 6.593 0.559 773 HA ARG 95 HA ARG 95 203.923 4.781 -0.345 774 1HB ARG 95 HB2 ARG 95 203.609 3.336 2.266 775 2HB ARG 95 HB1 ARG 95 204.946 3.282 1.127 776 1HG ARG 95 HG2 ARG 95 204.256 5.475 3.061 777 2HG ARG 95 HG1 ARG 95 205.705 4.470 3.023 778 1HD ARG 95 HD2 ARG 95 204.893 6.595 1.048 779 2HD ARG 95 HD1 ARG 95 206.262 6.634 2.158 780 HE ARG 95 HE ARG 95 206.105 5.257 -0.377 781 1HH1 ARG 95 HH11 ARG 95 207.774 5.512 2.679 782 2HH1 ARG 95 HH12 ARG 95 209.234 4.797 2.081 783 1HH2 ARG 95 HH21 ARG 95 208.025 4.317 -1.161 784 2HH2 ARG 95 HH22 ARG 95 209.377 4.119 -0.097 785 H ARG 96 HN ARG 96 202.146 4.341 -1.731 786 HA ARG 96 HA ARG 96 200.062 2.542 -0.945 787 1HB ARG 96 HB2 ARG 96 200.812 3.159 -3.791 788 2HB ARG 96 HB1 ARG 96 199.228 2.770 -3.135 789 1HG ARG 96 HG2 ARG 96 199.255 4.939 -1.928 790 2HG ARG 96 HG1 ARG 96 200.770 5.326 -2.745 791 1HD ARG 96 HD2 ARG 96 198.029 4.991 -3.918 792 2HD ARG 96 HD1 ARG 96 199.123 6.369 -4.041 793 HE ARG 96 HE ARG 96 199.045 4.090 -5.748 794 1HH1 ARG 96 HH11 ARG 96 201.196 6.461 -4.357 795 2HH1 ARG 96 HH12 ARG 96 202.360 6.338 -5.634 796 1HH2 ARG 96 HH21 ARG 96 200.574 3.926 -7.428 797 2HH2 ARG 96 HH22 ARG 96 202.006 4.900 -7.378 798 H ALA 97 HN ALA 97 199.636 0.522 -2.248 799 HA ALA 97 HA ALA 97 201.949 -1.190 -2.046 800 1HB ALA 97 HB1 ALA 97 199.571 -1.787 -1.352 801 2HB ALA 97 HB2 ALA 97 200.466 -2.997 -2.275 802 3HB ALA 97 HB3 ALA 97 199.244 -2.004 -3.072 803 H ALA 98 HN ALA 98 203.308 -0.440 -3.710 804 HA ALA 98 HA ALA 98 202.339 -0.954 -6.445 805 1HB ALA 98 HB1 ALA 98 204.745 0.468 -6.608 806 2HB ALA 98 HB2 ALA 98 203.824 1.227 -5.309 807 3HB ALA 98 HB3 ALA 98 203.116 1.070 -6.917 808 H THR 99 HN THR 99 203.585 -2.813 -4.364 809 HA THR 99 HA THR 99 206.170 -3.518 -5.264 810 HB THR 99 HB THR 99 205.459 -4.222 -3.083 811 HG1 THR 99 HG1 THR 99 205.556 -6.528 -4.724 812 1HG2 THR 99 HG21 THR 99 203.491 -5.087 -2.559 813 2HG2 THR 99 HG22 THR 99 203.622 -6.327 -3.806 814 3HG2 THR 99 HG23 THR 99 202.993 -4.731 -4.212 815 H SER 100 HN SER 100 203.012 -4.156 -6.488 816 HA SER 100 HA SER 100 203.598 -6.526 -7.935 817 1HB SER 100 HB2 SER 100 201.505 -4.572 -8.835 818 2HB SER 100 HB1 SER 100 201.459 -6.335 -8.837 819 HG SER 100 HG SER 100 201.515 -6.086 -6.448 820 H VAL 101 HN VAL 101 205.737 -5.703 -8.715 821 HA VAL 101 HA VAL 101 205.641 -3.833 -10.930 822 HB VAL 101 HB VAL 101 207.610 -3.529 -9.738 823 1HG1 VAL 101 HG11 VAL 101 207.717 -6.513 -9.502 824 2HG1 VAL 101 HG12 VAL 101 207.690 -5.294 -8.229 825 3HG1 VAL 101 HG13 VAL 101 209.143 -5.520 -9.203 826 1HG2 VAL 101 HG21 VAL 101 208.631 -5.479 -11.780 827 2HG2 VAL 101 HG22 VAL 101 209.377 -3.986 -11.210 828 3HG2 VAL 101 HG23 VAL 101 207.943 -3.920 -12.235 829 H LYS 102 HN LYS 102 206.255 -7.290 -10.436 830 HA LYS 102 HA LYS 102 206.388 -7.720 -13.315 831 1HB LYS 102 HB2 LYS 102 206.494 -9.911 -11.263 832 2HB LYS 102 HB1 LYS 102 207.228 -9.857 -12.859 833 1HG LYS 102 HG2 LYS 102 208.135 -7.935 -10.767 834 2HG LYS 102 HG1 LYS 102 208.692 -9.607 -10.721 835 1HD LYS 102 HD2 LYS 102 209.325 -9.267 -13.178 836 2HD LYS 102 HD1 LYS 102 209.121 -7.543 -12.859 837 1HE LYS 102 HE2 LYS 102 211.072 -9.452 -11.597 838 2HE LYS 102 HE1 LYS 102 211.421 -8.013 -12.554 839 1HZ LYS 102 HZ1 LYS 102 210.156 -8.032 -9.866 840 2HZ LYS 102 HZ2 LYS 102 210.506 -6.653 -10.783 841 3HZ LYS 102 HZ3 LYS 102 211.763 -7.620 -10.194 842 H ASP 103 HN ASP 103 204.000 -6.841 -13.084 843 HA ASP 103 HA ASP 103 202.236 -9.192 -12.878 844 1HB ASP 103 HB2 ASP 103 201.801 -7.578 -11.074 845 2HB ASP 103 HB1 ASP 103 201.539 -6.311 -12.268 846 H ALA 104 HN ALA 104 202.663 -6.032 -14.454 847 HA ALA 104 HA ALA 104 200.684 -6.128 -16.349 848 1HB ALA 104 HB1 ALA 104 201.740 -4.147 -16.536 849 2HB ALA 104 HB2 ALA 104 202.654 -4.978 -17.793 850 3HB ALA 104 HB3 ALA 104 203.321 -4.834 -16.168 851 H ASN 105 HN ASN 105 200.258 -7.259 -18.144 852 HA ASN 105 HA ASN 105 202.124 -9.381 -18.889 853 1HB ASN 105 HB2 ASN 105 200.212 -10.311 -20.157 854 2HB ASN 105 HB1 ASN 105 199.829 -10.065 -18.456 855 1HD2 ASN 105 HD21 ASN 105 198.303 -8.580 -17.876 856 2HD2 ASN 105 HD22 ASN 105 197.287 -7.770 -19.015 857 H PHE 106 HN PHE 106 202.957 -6.841 -19.643 858 HA PHE 106 HA PHE 106 202.254 -6.464 -22.429 859 1HB PHE 106 HB2 PHE 106 204.397 -4.989 -20.911 860 2HB PHE 106 HB1 PHE 106 203.530 -4.460 -22.347 861 HD1 PHE 106 HD1 PHE 106 200.758 -5.332 -21.326 862 HD2 PHE 106 HD2 PHE 106 203.919 -3.081 -19.578 863 HE1 PHE 106 HE1 PHE 106 199.129 -4.156 -19.906 864 HE2 PHE 106 HE2 PHE 106 202.296 -1.902 -18.154 865 HZ PHE 106 HZ PHE 106 199.898 -2.439 -18.316 866 H VAL 107 HN VAL 107 204.449 -8.317 -20.705 867 HA VAL 107 HA VAL 107 206.356 -8.414 -22.937 868 HB VAL 107 HB VAL 107 207.814 -9.686 -21.350 869 1HG1 VAL 107 HG11 VAL 107 208.580 -7.560 -21.408 870 2HG1 VAL 107 HG12 VAL 107 207.990 -7.540 -19.745 871 3HG1 VAL 107 HG13 VAL 107 207.002 -6.865 -21.042 872 1HG2 VAL 107 HG21 VAL 107 207.195 -10.241 -19.259 873 2HG2 VAL 107 HG22 VAL 107 205.559 -10.052 -19.888 874 3HG2 VAL 107 HG23 VAL 107 206.323 -8.729 -19.006 875 H GLU 108 HN GLU 108 204.263 -9.563 -23.820 876 HA GLU 108 HA GLU 108 203.069 -11.786 -23.508 877 1HB GLU 108 HB2 GLU 108 204.513 -12.459 -25.873 878 2HB GLU 108 HB1 GLU 108 202.890 -11.806 -25.724 879 1HG GLU 108 HG2 GLU 108 205.263 -9.992 -25.603 880 2HG GLU 108 HG1 GLU 108 204.640 -10.560 -27.151 881 H GLU 109 HN GLU 109 203.398 -13.553 -22.394 882 HA GLU 109 HA GLU 109 206.065 -14.713 -22.208 883 1HB GLU 109 HB2 GLU 109 205.088 -16.116 -20.428 884 2HB GLU 109 HB1 GLU 109 204.857 -14.399 -20.126 885 1HG GLU 109 HG2 GLU 109 202.686 -15.817 -21.548 886 2HG GLU 109 HG1 GLU 109 202.916 -16.195 -19.842 887 H VAL 110 HN VAL 110 205.283 -15.069 -24.708 888 HA VAL 110 HA VAL 110 205.070 -16.656 -26.327 889 HB VAL 110 HB VAL 110 205.001 -18.756 -24.167 890 1HG1 VAL 110 HG11 VAL 110 205.903 -18.762 -27.043 891 2HG1 VAL 110 HG12 VAL 110 204.500 -19.587 -26.365 892 3HG1 VAL 110 HG13 VAL 110 206.126 -20.105 -25.922 893 1HG2 VAL 110 HG21 VAL 110 207.359 -17.260 -25.288 894 2HG2 VAL 110 HG22 VAL 110 207.510 -18.845 -24.526 895 3HG2 VAL 110 HG23 VAL 110 206.902 -17.474 -23.597 896 H GLU 111 HN GLU 111 203.461 -17.879 -27.380 897 HA GLU 111 HA GLU 111 200.809 -17.443 -26.329 898 1HB GLU 111 HB2 GLU 111 201.408 -18.950 -28.858 899 2HB GLU 111 HB1 GLU 111 200.012 -17.954 -28.473 900 1HG GLU 111 HG2 GLU 111 202.097 -16.173 -28.318 901 2HG GLU 111 HG1 GLU 111 202.563 -17.222 -29.656 902 H GLU 112 HN GLU 112 201.651 -19.018 -24.510 903 HA GLU 112 HA GLU 112 201.450 -21.818 -25.141 904 1HB GLU 112 HB2 GLU 112 202.810 -20.658 -23.242 905 2HB GLU 112 HB1 GLU 112 201.292 -20.714 -22.355 906 1HG GLU 112 HG2 GLU 112 201.320 -22.991 -22.167 907 2HG GLU 112 HG1 GLU 112 202.287 -23.210 -23.626 908 H GLU 113 HN GLU 113 199.237 -21.190 -26.173 909 HA GLU 113 HA GLU 113 196.997 -20.769 -24.515 910 1HB GLU 113 HB2 GLU 113 197.308 -20.612 -27.129 911 2HB GLU 113 HB1 GLU 113 196.747 -22.277 -27.082 912 1HG GLU 113 HG2 GLU 113 194.640 -21.669 -26.730 913 2HG GLU 113 HG1 GLU 113 195.096 -20.506 -25.484 Start of MODEL 23 1 1H MET 1 HT1 MET 1 186.949 0.694 -6.042 2 2H MET 1 HT2 MET 1 186.205 -0.847 -6.183 3 3H MET 1 HT3 MET 1 185.256 0.538 -5.823 4 HA MET 1 HA MET 1 185.690 1.463 -7.933 5 1HB MET 1 HB2 MET 1 188.006 0.169 -7.872 6 2HB MET 1 HB1 MET 1 187.100 -1.028 -8.789 7 1HG MET 1 HG2 MET 1 187.991 0.228 -10.473 8 2HG MET 1 HG1 MET 1 186.431 1.020 -10.256 9 1HE MET 1 HE1 MET 1 190.087 0.930 -9.796 10 2HE MET 1 HE2 MET 1 190.037 1.592 -8.163 11 3HE MET 1 HE3 MET 1 190.599 2.592 -9.503 12 H THR 2 HN THR 2 185.444 -2.074 -7.518 13 HA THR 2 HA THR 2 183.535 -2.467 -9.550 14 HB THR 2 HB THR 2 183.422 -4.303 -7.239 15 HG1 THR 2 HG1 THR 2 185.476 -4.889 -7.272 16 1HG2 THR 2 HG21 THR 2 182.960 -4.475 -9.978 17 2HG2 THR 2 HG22 THR 2 182.946 -5.789 -8.801 18 3HG2 THR 2 HG23 THR 2 184.424 -5.414 -9.688 19 H MET 3 HN MET 3 181.468 -3.904 -8.381 20 HA MET 3 HA MET 3 180.123 -2.123 -6.510 21 1HB MET 3 HB2 MET 3 179.550 -1.193 -8.703 22 2HB MET 3 HB1 MET 3 178.987 -2.770 -9.238 23 1HG MET 3 HG2 MET 3 177.027 -1.687 -8.701 24 2HG MET 3 HG1 MET 3 177.365 -2.615 -7.241 25 1HE MET 3 HE1 MET 3 176.251 -1.785 -5.693 26 2HE MET 3 HE2 MET 3 175.587 -0.150 -5.719 27 3HE MET 3 HE3 MET 3 176.925 -0.542 -4.639 28 H ASN 4 HN ASN 4 180.610 -4.151 -5.308 29 HA ASN 4 HA ASN 4 178.817 -6.373 -5.958 30 1HB ASN 4 HB2 ASN 4 180.866 -6.308 -3.745 31 2HB ASN 4 HB1 ASN 4 180.122 -7.717 -4.492 32 1HD2 ASN 4 HD21 ASN 4 180.370 -7.152 -7.146 33 2HD2 ASN 4 HD22 ASN 4 182.042 -7.099 -7.581 34 H ILE 5 HN ILE 5 177.003 -6.755 -4.859 35 HA ILE 5 HA ILE 5 176.697 -5.757 -2.146 36 HB ILE 5 HB ILE 5 174.831 -4.421 -2.464 37 1HG1 ILE 5 HG12 ILE 5 173.527 -5.958 -3.852 38 2HG1 ILE 5 HG11 ILE 5 173.475 -4.327 -4.506 39 1HG2 ILE 5 HG21 ILE 5 176.346 -3.912 -5.015 40 2HG2 ILE 5 HG22 ILE 5 176.919 -3.441 -3.416 41 3HG2 ILE 5 HG23 ILE 5 175.430 -2.749 -4.057 42 1HD1 ILE 5 HD11 ILE 5 174.312 -6.748 -5.761 43 2HD1 ILE 5 HD12 ILE 5 175.646 -5.593 -5.743 44 3HD1 ILE 5 HD13 ILE 5 174.099 -5.142 -6.458 45 H THR 6 HN THR 6 175.832 -7.302 -0.937 46 HA THR 6 HA THR 6 173.970 -9.207 -2.181 47 HB THR 6 HB THR 6 176.444 -9.786 -0.579 48 HG1 THR 6 HG1 THR 6 176.285 -9.871 -2.958 49 1HG2 THR 6 HG21 THR 6 175.134 -11.181 0.662 50 2HG2 THR 6 HG22 THR 6 175.520 -12.229 -0.702 51 3HG2 THR 6 HG23 THR 6 173.959 -11.414 -0.631 52 H SER 7 HN SER 7 172.093 -8.732 -1.225 53 HA SER 7 HA SER 7 172.012 -8.060 1.615 54 1HB SER 7 HB2 SER 7 169.975 -7.928 -0.601 55 2HB SER 7 HB1 SER 7 169.548 -7.667 1.092 56 HG SER 7 HG SER 7 170.130 -5.684 0.668 57 H LYS 8 HN LYS 8 170.278 -9.014 2.955 58 HA LYS 8 HA LYS 8 170.420 -11.855 2.909 59 1HB LYS 8 HB2 LYS 8 169.782 -9.907 4.785 60 2HB LYS 8 HB1 LYS 8 168.260 -10.740 4.536 61 1HG LYS 8 HG2 LYS 8 169.017 -12.684 5.451 62 2HG LYS 8 HG1 LYS 8 170.688 -12.389 4.964 63 1HD LYS 8 HD2 LYS 8 171.067 -10.920 6.749 64 2HD LYS 8 HD1 LYS 8 169.344 -10.698 7.048 65 1HE LYS 8 HE2 LYS 8 169.185 -13.024 7.805 66 2HE LYS 8 HE1 LYS 8 170.913 -13.231 7.519 67 1HZ LYS 8 HZ1 LYS 8 170.045 -12.659 9.880 68 2HZ LYS 8 HZ2 LYS 8 169.997 -11.074 9.293 69 3HZ LYS 8 HZ3 LYS 8 171.459 -11.927 9.307 70 H GLN 9 HN GLN 9 167.506 -12.128 3.738 71 HA GLN 9 HA GLN 9 166.463 -13.175 1.422 72 1HB GLN 9 HB2 GLN 9 164.346 -13.270 2.525 73 2HB GLN 9 HB1 GLN 9 165.584 -13.518 3.749 74 1HG GLN 9 HG2 GLN 9 164.163 -10.916 3.225 75 2HG GLN 9 HG1 GLN 9 163.763 -12.057 4.507 76 1HE2 GLN 9 HE21 GLN 9 165.129 -9.218 4.055 77 2HE2 GLN 9 HE22 GLN 9 166.356 -9.233 5.270 78 H MET 10 HN MET 10 166.537 -9.861 2.460 79 HA MET 10 HA MET 10 164.539 -8.928 0.628 80 1HB MET 10 HB2 MET 10 164.919 -7.645 2.620 81 2HB MET 10 HB1 MET 10 166.636 -7.507 2.274 82 1HG MET 10 HG2 MET 10 166.218 -5.551 1.333 83 2HG MET 10 HG1 MET 10 165.364 -6.404 0.052 84 1HE MET 10 HE1 MET 10 161.902 -6.258 0.550 85 2HE MET 10 HE2 MET 10 162.221 -7.093 2.071 86 3HE MET 10 HE3 MET 10 163.168 -7.484 0.635 87 H GLU 11 HN GLU 11 164.791 -8.001 -1.357 88 HA GLU 11 HA GLU 11 167.408 -8.387 -2.631 89 1HB GLU 11 HB2 GLU 11 164.846 -7.795 -4.090 90 2HB GLU 11 HB1 GLU 11 166.295 -8.582 -4.696 91 1HG GLU 11 HG2 GLU 11 165.806 -10.587 -3.581 92 2HG GLU 11 HG1 GLU 11 164.595 -9.816 -2.557 93 H ILE 12 HN ILE 12 168.412 -6.739 -3.780 94 HA ILE 12 HA ILE 12 168.045 -4.117 -2.808 95 HB ILE 12 HB ILE 12 169.530 -4.888 -5.321 96 1HG1 ILE 12 HG12 ILE 12 170.296 -6.278 -3.462 97 2HG1 ILE 12 HG11 ILE 12 171.521 -5.085 -3.876 98 1HG2 ILE 12 HG21 ILE 12 169.032 -2.447 -4.793 99 2HG2 ILE 12 HG22 ILE 12 170.717 -2.878 -5.085 100 3HG2 ILE 12 HG23 ILE 12 170.142 -2.634 -3.435 101 1HD1 ILE 12 HD11 ILE 12 169.698 -5.138 -1.501 102 2HD1 ILE 12 HD12 ILE 12 170.559 -3.679 -1.994 103 3HD1 ILE 12 HD13 ILE 12 171.461 -5.126 -1.543 104 H THR 13 HN THR 13 166.211 -3.044 -3.215 105 HA THR 13 HA THR 13 164.742 -3.292 -5.648 106 HB THR 13 HB THR 13 163.236 -1.702 -4.722 107 HG1 THR 13 HG1 THR 13 165.445 -0.906 -3.164 108 1HG2 THR 13 HG21 THR 13 163.479 -3.891 -3.448 109 2HG2 THR 13 HG22 THR 13 162.674 -2.555 -2.626 110 3HG2 THR 13 HG23 THR 13 164.348 -2.947 -2.237 111 HA PRO 14 HA PRO 14 166.576 -0.388 -8.394 112 1HB PRO 14 HB2 PRO 14 164.351 1.196 -9.013 113 2HB PRO 14 HB1 PRO 14 164.837 -0.282 -9.848 114 1HG PRO 14 HG2 PRO 14 162.783 0.110 -7.723 115 2HG PRO 14 HG1 PRO 14 162.761 -0.979 -9.122 116 1HD PRO 14 HD2 PRO 14 163.246 -1.898 -6.657 117 2HD PRO 14 HD1 PRO 14 164.101 -2.559 -8.066 118 H ALA 15 HN ALA 15 164.422 0.934 -5.924 119 HA ALA 15 HA ALA 15 165.426 3.587 -6.036 120 1HB ALA 15 HB1 ALA 15 163.422 3.638 -4.986 121 2HB ALA 15 HB2 ALA 15 164.429 3.465 -3.549 122 3HB ALA 15 HB3 ALA 15 163.644 2.051 -4.250 123 H ILE 16 HN ILE 16 166.185 0.782 -4.011 124 HA ILE 16 HA ILE 16 168.068 2.143 -2.371 125 HB ILE 16 HB ILE 16 167.709 -0.812 -2.896 126 1HG1 ILE 16 HG12 ILE 16 166.928 0.804 -0.471 127 2HG1 ILE 16 HG11 ILE 16 165.824 0.491 -1.806 128 1HG2 ILE 16 HG21 ILE 16 168.907 -0.618 -0.454 129 2HG2 ILE 16 HG22 ILE 16 169.721 0.660 -1.358 130 3HG2 ILE 16 HG23 ILE 16 169.740 -0.998 -1.961 131 1HD1 ILE 16 HD11 ILE 16 165.320 -1.112 -0.176 132 2HD1 ILE 16 HD12 ILE 16 167.021 -1.465 0.123 133 3HD1 ILE 16 HD13 ILE 16 166.267 -1.971 -1.389 134 H ARG 17 HN ARG 17 168.495 -0.201 -5.039 135 HA ARG 17 HA ARG 17 171.265 -0.123 -5.148 136 1HB ARG 17 HB2 ARG 17 171.059 -1.421 -6.991 137 2HB ARG 17 HB1 ARG 17 169.377 -1.486 -6.501 138 1HG ARG 17 HG2 ARG 17 168.780 0.189 -8.107 139 2HG ARG 17 HG1 ARG 17 170.474 0.479 -8.503 140 1HD ARG 17 HD2 ARG 17 168.998 -1.035 -10.039 141 2HD ARG 17 HD1 ARG 17 170.671 -1.470 -9.700 142 HE ARG 17 HE ARG 17 168.278 -2.816 -8.737 143 1HH1 ARG 17 HH11 ARG 17 171.757 -2.507 -8.560 144 2HH1 ARG 17 HH12 ARG 17 171.980 -4.069 -7.851 145 1HH2 ARG 17 HH21 ARG 17 168.580 -4.868 -7.804 146 2HH2 ARG 17 HH22 ARG 17 170.181 -5.409 -7.420 147 H GLN 18 HN GLN 18 168.921 2.168 -6.328 148 HA GLN 18 HA GLN 18 170.754 3.623 -7.983 149 1HB GLN 18 HB2 GLN 18 167.939 3.912 -7.118 150 2HB GLN 18 HB1 GLN 18 168.776 5.406 -7.516 151 1HG GLN 18 HG2 GLN 18 169.091 3.217 -9.454 152 2HG GLN 18 HG1 GLN 18 167.466 3.882 -9.303 153 1HE2 GLN 18 HE21 GLN 18 170.562 5.530 -8.937 154 2HE2 GLN 18 HE22 GLN 18 170.337 6.631 -10.250 155 H HIS 19 HN HIS 19 169.574 3.877 -4.678 156 HA HIS 19 HA HIS 19 170.642 6.412 -4.080 157 1HB HIS 19 HB2 HIS 19 169.340 4.274 -2.658 158 2HB HIS 19 HB1 HIS 19 170.706 4.867 -1.717 159 HD1 HIS 19 HD1 HIS 19 168.085 6.700 -3.794 160 HD2 HIS 19 HD2 HIS 19 169.709 6.661 0.031 161 HE1 HIS 19 HE1 HIS 19 166.956 8.581 -2.566 162 HE2 HIS 19 HE2 HIS 19 167.887 8.479 -0.226 163 H VAL 20 HN VAL 20 171.909 3.188 -3.216 164 HA VAL 20 HA VAL 20 174.389 4.122 -2.270 165 HB VAL 20 HB VAL 20 173.880 1.389 -3.444 166 1HG1 VAL 20 HG11 VAL 20 176.121 1.407 -3.005 167 2HG1 VAL 20 HG12 VAL 20 175.515 0.921 -1.422 168 3HG1 VAL 20 HG13 VAL 20 175.973 2.599 -1.714 169 1HG2 VAL 20 HG21 VAL 20 173.558 1.031 -0.791 170 2HG2 VAL 20 HG22 VAL 20 172.224 1.297 -1.913 171 3HG2 VAL 20 HG23 VAL 20 172.870 2.643 -0.974 172 H ALA 21 HN ALA 21 173.276 3.185 -5.463 173 HA ALA 21 HA ALA 21 175.749 2.950 -6.753 174 1HB ALA 21 HB1 ALA 21 173.848 2.158 -7.899 175 2HB ALA 21 HB2 ALA 21 174.417 3.544 -8.828 176 3HB ALA 21 HB3 ALA 21 173.022 3.710 -7.762 177 H ASP 22 HN ASP 22 173.590 5.767 -6.471 178 HA ASP 22 HA ASP 22 175.204 7.578 -7.869 179 1HB ASP 22 HB2 ASP 22 172.837 7.998 -7.294 180 2HB ASP 22 HB1 ASP 22 173.290 8.165 -5.600 181 H ARG 23 HN ARG 23 175.062 6.786 -4.418 182 HA ARG 23 HA ARG 23 176.937 8.699 -3.553 183 1HB ARG 23 HB2 ARG 23 176.036 6.064 -2.397 184 2HB ARG 23 HB1 ARG 23 177.215 7.087 -1.586 185 1HG ARG 23 HG2 ARG 23 174.371 7.807 -2.263 186 2HG ARG 23 HG1 ARG 23 175.032 7.478 -0.661 187 1HD ARG 23 HD2 ARG 23 176.697 9.437 -1.501 188 2HD ARG 23 HD1 ARG 23 175.209 9.898 -2.328 189 HE ARG 23 HE ARG 23 175.750 10.080 0.474 190 1HH1 ARG 23 HH11 ARG 23 173.216 9.661 -1.888 191 2HH1 ARG 23 HH12 ARG 23 171.978 10.294 -0.856 192 1HH2 ARG 23 HH21 ARG 23 174.124 10.914 1.833 193 2HH2 ARG 23 HH22 ARG 23 172.493 11.007 1.256 194 H LEU 24 HN LEU 24 177.305 5.318 -4.550 195 HA LEU 24 HA LEU 24 180.031 5.042 -3.989 196 1HB LEU 24 HB2 LEU 24 178.294 3.269 -4.684 197 2HB LEU 24 HB1 LEU 24 178.692 3.720 -6.331 198 HG LEU 24 HG LEU 24 181.175 3.270 -5.273 199 1HD1 LEU 24 HD11 LEU 24 179.642 0.932 -4.270 200 2HD1 LEU 24 HD12 LEU 24 179.744 2.367 -3.252 201 3HD1 LEU 24 HD13 LEU 24 181.217 1.550 -3.775 202 1HD2 LEU 24 HD21 LEU 24 180.549 0.834 -6.308 203 2HD2 LEU 24 HD22 LEU 24 180.986 2.250 -7.263 204 3HD2 LEU 24 HD23 LEU 24 179.288 1.848 -7.008 205 H ALA 25 HN ALA 25 178.367 6.486 -6.708 206 HA ALA 25 HA ALA 25 180.653 6.671 -8.404 207 1HB ALA 25 HB1 ALA 25 178.673 6.776 -9.588 208 2HB ALA 25 HB2 ALA 25 179.150 8.473 -9.527 209 3HB ALA 25 HB3 ALA 25 177.914 7.865 -8.426 210 H LYS 26 HN LYS 26 178.945 9.016 -6.343 211 HA LYS 26 HA LYS 26 180.750 11.146 -6.830 212 1HB LYS 26 HB2 LYS 26 178.420 11.423 -5.986 213 2HB LYS 26 HB1 LYS 26 178.933 10.749 -4.445 214 1HG LYS 26 HG2 LYS 26 180.732 12.699 -4.649 215 2HG LYS 26 HG1 LYS 26 179.443 13.414 -5.619 216 1HD LYS 26 HD2 LYS 26 178.441 12.240 -3.160 217 2HD LYS 26 HD1 LYS 26 179.661 13.477 -2.855 218 1HE LYS 26 HE2 LYS 26 178.421 15.110 -4.063 219 2HE LYS 26 HE1 LYS 26 177.308 13.893 -4.688 220 1HZ LYS 26 HZ1 LYS 26 176.783 15.417 -2.578 221 2HZ LYS 26 HZ2 LYS 26 177.483 14.092 -1.795 222 3HZ LYS 26 HZ3 LYS 26 176.130 13.869 -2.786 223 H LEU 27 HN LEU 27 180.838 8.407 -4.730 224 HA LEU 27 HA LEU 27 182.617 9.419 -2.775 225 1HB LEU 27 HB2 LEU 27 181.274 6.986 -3.308 226 2HB LEU 27 HB1 LEU 27 182.977 6.602 -3.155 227 HG LEU 27 HG LEU 27 181.933 8.373 -1.049 228 1HD1 LEU 27 HD11 LEU 27 180.711 6.710 0.136 229 2HD1 LEU 27 HD12 LEU 27 181.096 5.481 -1.069 230 3HD1 LEU 27 HD13 LEU 27 180.019 6.817 -1.484 231 1HD2 LEU 27 HD21 LEU 27 184.116 7.620 -0.746 232 2HD2 LEU 27 HD22 LEU 27 183.723 5.977 -1.256 233 3HD2 LEU 27 HD23 LEU 27 183.164 6.573 0.307 234 H GLU 28 HN GLU 28 183.102 8.656 -6.039 235 HA GLU 28 HA GLU 28 185.707 7.604 -5.996 236 1HB GLU 28 HB2 GLU 28 185.829 8.220 -8.327 237 2HB GLU 28 HB1 GLU 28 184.218 7.606 -7.981 238 1HG GLU 28 HG2 GLU 28 183.471 9.419 -9.020 239 2HG GLU 28 HG1 GLU 28 183.939 10.304 -7.569 240 H LYS 29 HN LYS 29 184.553 10.745 -5.285 241 HA LYS 29 HA LYS 29 187.171 11.965 -5.748 242 1HB LYS 29 HB2 LYS 29 185.128 13.142 -6.531 243 2HB LYS 29 HB1 LYS 29 184.590 13.261 -4.861 244 1HG LYS 29 HG2 LYS 29 185.699 15.160 -4.658 245 2HG LYS 29 HG1 LYS 29 187.210 14.295 -4.947 246 1HD LYS 29 HD2 LYS 29 185.525 15.039 -7.288 247 2HD LYS 29 HD1 LYS 29 186.457 16.305 -6.485 248 1HE LYS 29 HE2 LYS 29 187.959 13.843 -7.001 249 2HE LYS 29 HE1 LYS 29 187.399 14.667 -8.455 250 1HZ LYS 29 HZ1 LYS 29 188.559 16.606 -7.872 251 2HZ LYS 29 HZ2 LYS 29 189.645 15.342 -7.582 252 3HZ LYS 29 HZ3 LYS 29 188.840 16.079 -6.290 253 H TRP 30 HN TRP 30 186.658 10.009 -3.584 254 HA TRP 30 HA TRP 30 187.077 11.725 -1.232 255 1HB TRP 30 HB2 TRP 30 185.669 9.221 -1.649 256 2HB TRP 30 HB1 TRP 30 186.833 9.092 -0.337 257 HD1 TRP 30 HD1 TRP 30 183.383 10.175 -1.003 258 HE1 TRP 30 HE1 TRP 30 182.442 11.503 0.990 259 HE3 TRP 30 HE3 TRP 30 187.738 11.014 1.537 260 HZ2 TRP 30 HZ2 TRP 30 183.420 12.743 3.331 261 HZ3 TRP 30 HZ3 TRP 30 187.650 12.278 3.643 262 HH2 TRP 30 HH2 TRP 30 185.534 13.126 4.522 263 H GLN 31 HN GLN 31 189.032 10.756 -3.407 264 HA GLN 31 HA GLN 31 191.186 10.076 -3.571 265 1HB GLN 31 HB2 GLN 31 192.596 11.067 -2.092 266 2HB GLN 31 HB1 GLN 31 191.114 11.893 -1.651 267 1HG GLN 31 HG2 GLN 31 191.118 9.653 -0.030 268 2HG GLN 31 HG1 GLN 31 192.809 10.144 -0.083 269 1HE2 GLN 31 HE21 GLN 31 192.791 10.782 2.067 270 2HE2 GLN 31 HE22 GLN 31 191.992 12.218 2.597 271 H THR 32 HN THR 32 189.024 8.237 -2.145 272 HA THR 32 HA THR 32 190.672 6.337 -0.764 273 HB THR 32 HB THR 32 187.904 5.771 -1.789 274 HG1 THR 32 HG1 THR 32 187.044 6.927 -0.155 275 1HG2 THR 32 HG21 THR 32 189.677 4.586 0.167 276 2HG2 THR 32 HG22 THR 32 188.214 3.942 -0.577 277 3HG2 THR 32 HG23 THR 32 188.096 4.984 0.841 278 H HIS 33 HN HIS 33 191.093 4.184 -1.428 279 HA HIS 33 HA HIS 33 191.210 3.880 -4.350 280 1HB HIS 33 HB2 HIS 33 192.950 2.578 -2.250 281 2HB HIS 33 HB1 HIS 33 193.117 2.386 -3.990 282 HD1 HIS 33 HD1 HIS 33 195.181 3.592 -4.621 283 HD2 HIS 33 HD2 HIS 33 192.905 5.744 -1.891 284 HE1 HIS 33 HE1 HIS 33 196.366 5.792 -4.346 285 HE2 HIS 33 HE2 HIS 33 195.017 7.044 -2.626 286 H LEU 34 HN LEU 34 189.292 2.946 -1.936 287 HA LEU 34 HA LEU 34 189.031 0.309 -1.653 288 1HB LEU 34 HB2 LEU 34 186.629 0.567 -1.547 289 2HB LEU 34 HB1 LEU 34 187.430 1.922 -0.783 290 HG LEU 34 HG LEU 34 185.795 1.858 -3.285 291 1HD1 LEU 34 HD11 LEU 34 184.569 3.503 -2.252 292 2HD1 LEU 34 HD12 LEU 34 185.934 4.053 -1.276 293 3HD1 LEU 34 HD13 LEU 34 185.108 2.551 -0.867 294 1HD2 LEU 34 HD21 LEU 34 187.913 2.862 -4.010 295 2HD2 LEU 34 HD22 LEU 34 187.840 3.989 -2.658 296 3HD2 LEU 34 HD23 LEU 34 186.624 4.060 -3.932 297 H ILE 35 HN ILE 35 188.780 -1.483 -2.826 298 HA ILE 35 HA ILE 35 188.114 -1.146 -5.682 299 HB ILE 35 HB ILE 35 189.372 -3.399 -5.898 300 1HG1 ILE 35 HG12 ILE 35 189.556 -3.511 -3.315 301 2HG1 ILE 35 HG11 ILE 35 190.956 -3.969 -4.278 302 1HG2 ILE 35 HG21 ILE 35 190.186 -1.476 -6.996 303 2HG2 ILE 35 HG22 ILE 35 191.551 -2.138 -6.099 304 3HG2 ILE 35 HG23 ILE 35 190.689 -0.730 -5.479 305 1HD1 ILE 35 HD11 ILE 35 191.080 -2.327 -2.175 306 2HD1 ILE 35 HD12 ILE 35 190.815 -1.143 -3.453 307 3HD1 ILE 35 HD13 ILE 35 192.193 -2.239 -3.538 308 H ASN 36 HN ASN 36 187.642 -3.196 -2.837 309 HA ASN 36 HA ASN 36 185.572 -4.662 -4.332 310 1HB ASN 36 HB2 ASN 36 187.559 -5.472 -2.332 311 2HB ASN 36 HB1 ASN 36 185.942 -6.098 -2.022 312 1HD2 ASN 36 HD21 ASN 36 186.361 -8.195 -2.512 313 2HD2 ASN 36 HD22 ASN 36 186.760 -8.747 -4.100 314 HA PRO 37 HA PRO 37 183.103 -2.256 -1.295 315 1HB PRO 37 HB2 PRO 37 181.265 -1.312 -2.986 316 2HB PRO 37 HB1 PRO 37 182.868 -0.577 -2.884 317 1HG PRO 37 HG2 PRO 37 181.784 -2.482 -4.916 318 2HG PRO 37 HG1 PRO 37 182.816 -1.059 -5.150 319 1HD PRO 37 HD2 PRO 37 183.728 -3.669 -5.063 320 2HD PRO 37 HD1 PRO 37 184.722 -2.239 -4.737 321 H HIS 38 HN HIS 38 182.034 -3.735 -0.124 322 HA HIS 38 HA HIS 38 180.061 -5.453 -1.479 323 1HB HIS 38 HB2 HIS 38 182.126 -6.166 0.218 324 2HB HIS 38 HB1 HIS 38 180.719 -6.176 1.276 325 HD1 HIS 38 HD1 HIS 38 182.502 -8.239 -1.083 326 HD2 HIS 38 HD2 HIS 38 178.555 -7.878 0.165 327 HE1 HIS 38 HE1 HIS 38 181.377 -10.381 -1.775 328 HE2 HIS 38 HE2 HIS 38 179.010 -10.170 -0.941 329 H ILE 39 HN ILE 39 178.103 -4.531 -1.360 330 HA ILE 39 HA ILE 39 177.324 -3.141 1.101 331 HB ILE 39 HB ILE 39 176.046 -3.184 -1.637 332 1HG1 ILE 39 HG12 ILE 39 176.619 -0.752 -1.582 333 2HG1 ILE 39 HG11 ILE 39 177.462 -1.018 -0.061 334 1HG2 ILE 39 HG21 ILE 39 175.136 -1.818 0.891 335 2HG2 ILE 39 HG22 ILE 39 174.275 -3.052 -0.029 336 3HG2 ILE 39 HG23 ILE 39 174.517 -1.445 -0.718 337 1HD1 ILE 39 HD11 ILE 39 179.269 -1.841 -1.079 338 2HD1 ILE 39 HD12 ILE 39 178.607 -1.071 -2.522 339 3HD1 ILE 39 HD13 ILE 39 178.318 -2.784 -2.223 340 H ILE 40 HN ILE 40 176.245 -4.263 2.580 341 HA ILE 40 HA ILE 40 174.512 -6.465 1.677 342 HB ILE 40 HB ILE 40 175.832 -6.162 4.377 343 1HG1 ILE 40 HG12 ILE 40 176.909 -8.401 3.366 344 2HG1 ILE 40 HG11 ILE 40 176.631 -7.532 1.862 345 1HG2 ILE 40 HG21 ILE 40 175.091 -8.536 4.656 346 2HG2 ILE 40 HG22 ILE 40 174.125 -8.342 3.194 347 3HG2 ILE 40 HG23 ILE 40 173.782 -7.355 4.615 348 1HD1 ILE 40 HD11 ILE 40 178.886 -7.193 2.758 349 2HD1 ILE 40 HD12 ILE 40 178.185 -6.468 4.206 350 3HD1 ILE 40 HD13 ILE 40 177.976 -5.688 2.638 351 H LEU 41 HN LEU 41 172.694 -5.105 1.385 352 HA LEU 41 HA LEU 41 171.677 -3.702 3.739 353 1HB LEU 41 HB2 LEU 41 171.556 -2.400 1.765 354 2HB LEU 41 HB1 LEU 41 170.884 -3.727 0.837 355 HG LEU 41 HG LEU 41 169.141 -3.067 3.043 356 1HD1 LEU 41 HD11 LEU 41 168.572 -0.839 1.575 357 2HD1 LEU 41 HD12 LEU 41 170.335 -0.821 1.601 358 3HD1 LEU 41 HD13 LEU 41 169.430 -0.851 3.114 359 1HD2 LEU 41 HD21 LEU 41 168.587 -4.326 0.968 360 2HD2 LEU 41 HD22 LEU 41 168.717 -2.814 0.071 361 3HD2 LEU 41 HD23 LEU 41 167.483 -2.996 1.318 362 H SER 42 HN SER 42 170.811 -5.169 5.114 363 HA SER 42 HA SER 42 168.842 -7.059 4.018 364 1HB SER 42 HB2 SER 42 170.325 -7.191 6.652 365 2HB SER 42 HB1 SER 42 169.226 -8.414 6.014 366 HG SER 42 HG SER 42 171.745 -8.404 5.652 367 H LYS 43 HN LYS 43 166.773 -6.970 4.629 368 HA LYS 43 HA LYS 43 165.900 -4.707 6.188 369 1HB LYS 43 HB2 LYS 43 164.774 -5.564 4.085 370 2HB LYS 43 HB1 LYS 43 164.189 -6.914 5.047 371 1HG LYS 43 HG2 LYS 43 163.647 -4.289 6.217 372 2HG LYS 43 HG1 LYS 43 162.867 -4.567 4.660 373 1HD LYS 43 HD2 LYS 43 162.723 -6.502 6.966 374 2HD LYS 43 HD1 LYS 43 161.519 -5.246 6.670 375 1HE LYS 43 HE2 LYS 43 161.198 -6.214 4.385 376 2HE LYS 43 HE1 LYS 43 162.245 -7.548 4.867 377 1HZ LYS 43 HZ1 LYS 43 159.995 -8.211 5.178 378 2HZ LYS 43 HZ2 LYS 43 159.626 -6.809 6.053 379 3HZ LYS 43 HZ3 LYS 43 160.664 -7.970 6.715 380 H GLU 44 HN GLU 44 166.214 -4.914 8.329 381 HA GLU 44 HA GLU 44 165.564 -7.434 9.650 382 1HB GLU 44 HB2 GLU 44 167.675 -6.323 10.234 383 2HB GLU 44 HB1 GLU 44 166.789 -4.894 10.747 384 1HG GLU 44 HG2 GLU 44 165.624 -6.408 12.420 385 2HG GLU 44 HG1 GLU 44 166.862 -7.602 12.031 386 HA PRO 45 HA PRO 45 161.444 -6.507 10.942 387 1HB PRO 45 HB2 PRO 45 162.599 -7.166 13.632 388 2HB PRO 45 HB1 PRO 45 161.064 -7.676 12.921 389 1HG PRO 45 HG2 PRO 45 163.145 -9.325 12.931 390 2HG PRO 45 HG1 PRO 45 162.076 -9.229 11.519 391 1HD PRO 45 HD2 PRO 45 164.841 -8.215 11.866 392 2HD PRO 45 HD1 PRO 45 164.001 -8.721 10.388 393 H GLN 46 HN GLN 46 164.074 -5.305 13.010 394 HA GLN 46 HA GLN 46 162.422 -3.003 13.740 395 1HB GLN 46 HB2 GLN 46 163.879 -4.573 15.329 396 2HB GLN 46 HB1 GLN 46 165.121 -3.399 14.912 397 1HG GLN 46 HG2 GLN 46 164.309 -1.966 16.383 398 2HG GLN 46 HG1 GLN 46 162.735 -2.001 15.589 399 1HE2 GLN 46 HE21 GLN 46 161.873 -4.516 16.039 400 2HE2 GLN 46 HE22 GLN 46 161.676 -4.796 17.733 401 H GLY 47 HN GLY 47 163.159 -2.810 11.147 402 1HA GLY 47 HA2 GLY 47 163.859 -0.767 10.079 403 2HA GLY 47 HA1 GLY 47 165.155 -0.646 11.256 404 H PHE 48 HN PHE 48 165.839 -0.266 8.727 405 HA PHE 48 HA PHE 48 166.686 -2.719 7.454 406 1HB PHE 48 HB2 PHE 48 166.547 0.127 6.760 407 2HB PHE 48 HB1 PHE 48 167.993 -0.672 6.151 408 HD1 PHE 48 HD1 PHE 48 167.405 -3.120 5.120 409 HD2 PHE 48 HD2 PHE 48 164.789 0.228 5.325 410 HE1 PHE 48 HE1 PHE 48 166.109 -4.021 3.232 411 HE2 PHE 48 HE2 PHE 48 163.489 -0.664 3.438 412 HZ PHE 48 HZ PHE 48 164.147 -2.790 2.388 413 H VAL 49 HN VAL 49 168.667 -3.620 7.517 414 HA VAL 49 HA VAL 49 170.711 -2.288 9.170 415 HB VAL 49 HB VAL 49 170.445 -5.238 8.570 416 1HG1 VAL 49 HG11 VAL 49 172.087 -5.409 10.478 417 2HG1 VAL 49 HG12 VAL 49 172.326 -3.669 10.320 418 3HG1 VAL 49 HG13 VAL 49 172.727 -4.739 8.978 419 1HG2 VAL 49 HG21 VAL 49 169.440 -5.552 10.631 420 2HG2 VAL 49 HG22 VAL 49 168.686 -4.061 10.068 421 3HG2 VAL 49 HG23 VAL 49 169.991 -3.996 11.251 422 H ALA 50 HN ALA 50 171.415 -1.080 7.305 423 HA ALA 50 HA ALA 50 172.504 -2.503 5.041 424 1HB ALA 50 HB1 ALA 50 171.409 -0.176 5.039 425 2HB ALA 50 HB2 ALA 50 172.853 -0.425 4.056 426 3HB ALA 50 HB3 ALA 50 172.976 0.399 5.610 427 H ASP 51 HN ASP 51 174.233 -3.735 5.609 428 HA ASP 51 HA ASP 51 176.456 -2.396 6.999 429 1HB ASP 51 HB2 ASP 51 175.291 -5.032 7.229 430 2HB ASP 51 HB1 ASP 51 177.008 -5.147 6.853 431 H ALA 52 HN ALA 52 177.546 -1.433 5.334 432 HA ALA 52 HA ALA 52 178.269 -3.059 3.013 433 1HB ALA 52 HB1 ALA 52 178.192 -1.169 1.845 434 2HB ALA 52 HB2 ALA 52 179.299 -0.361 2.956 435 3HB ALA 52 HB3 ALA 52 177.568 -0.380 3.294 436 H THR 53 HN THR 53 180.457 -3.153 2.272 437 HA THR 53 HA THR 53 182.542 -2.523 4.214 438 HB THR 53 HB THR 53 183.443 -4.720 4.270 439 HG1 THR 53 HG1 THR 53 183.118 -6.113 2.742 440 1HG2 THR 53 HG21 THR 53 181.943 -5.791 5.551 441 2HG2 THR 53 HG22 THR 53 180.647 -5.627 4.364 442 3HG2 THR 53 HG23 THR 53 181.064 -4.269 5.410 443 H ILE 54 HN ILE 54 183.778 -1.208 3.031 444 HA ILE 54 HA ILE 54 184.333 -1.932 0.236 445 HB ILE 54 HB ILE 54 185.390 0.643 0.806 446 1HG1 ILE 54 HG12 ILE 54 182.515 0.308 1.699 447 2HG1 ILE 54 HG11 ILE 54 183.872 0.763 2.724 448 1HG2 ILE 54 HG21 ILE 54 184.711 0.050 -1.375 449 2HG2 ILE 54 HG22 ILE 54 183.600 1.316 -0.849 450 3HG2 ILE 54 HG23 ILE 54 183.085 -0.370 -0.836 451 1HD1 ILE 54 HD11 ILE 54 183.147 2.422 0.349 452 2HD1 ILE 54 HD12 ILE 54 184.004 2.885 1.820 453 3HD1 ILE 54 HD13 ILE 54 182.266 2.584 1.869 454 H ASN 55 HN ASN 55 186.206 -2.872 -0.164 455 HA ASN 55 HA ASN 55 188.286 -3.062 1.754 456 1HB ASN 55 HB2 ASN 55 187.624 -4.583 -0.335 457 2HB ASN 55 HB1 ASN 55 188.856 -3.602 -1.123 458 1HD2 ASN 55 HD21 ASN 55 190.824 -3.290 0.509 459 2HD2 ASN 55 HD22 ASN 55 191.452 -4.779 1.116 460 H THR 56 HN THR 56 188.467 -0.690 2.092 461 HA THR 56 HA THR 56 189.965 0.723 0.027 462 HB THR 56 HB THR 56 188.561 2.315 0.801 463 HG1 THR 56 HG1 THR 56 189.517 3.558 2.466 464 1HG2 THR 56 HG21 THR 56 187.170 1.139 2.248 465 2HG2 THR 56 HG22 THR 56 187.816 2.455 3.226 466 3HG2 THR 56 HG23 THR 56 188.473 0.827 3.396 467 HA PRO 57 HA PRO 57 194.043 0.298 1.591 468 1HB PRO 57 HB2 PRO 57 194.773 2.985 1.867 469 2HB PRO 57 HB1 PRO 57 194.943 2.008 0.410 470 1HG PRO 57 HG2 PRO 57 192.811 3.953 1.151 471 2HG PRO 57 HG1 PRO 57 193.525 3.616 -0.437 472 1HD PRO 57 HD2 PRO 57 191.095 2.704 0.216 473 2HD PRO 57 HD1 PRO 57 192.211 1.725 -0.761 474 H ASN 58 HN ASN 58 191.842 2.421 3.290 475 HA ASN 58 HA ASN 58 193.471 2.287 5.712 476 1HB ASN 58 HB2 ASN 58 191.472 3.738 6.592 477 2HB ASN 58 HB1 ASN 58 192.687 4.455 5.543 478 1HD2 ASN 58 HD21 ASN 58 192.115 5.192 3.567 479 2HD2 ASN 58 HD22 ASN 58 190.494 5.196 2.971 480 H GLY 59 HN GLY 59 192.350 -0.145 4.785 481 1HA GLY 59 HA2 GLY 59 191.463 -1.994 5.864 482 2HA GLY 59 HA1 GLY 59 190.980 -0.945 7.192 483 H VAL 60 HN VAL 60 189.552 -3.090 5.647 484 HA VAL 60 HA VAL 60 187.618 -2.164 3.938 485 HB VAL 60 HB VAL 60 187.081 -4.180 6.117 486 1HG1 VAL 60 HG11 VAL 60 185.996 -4.267 3.334 487 2HG1 VAL 60 HG12 VAL 60 185.237 -3.238 4.548 488 3HG1 VAL 60 HG13 VAL 60 185.348 -4.978 4.813 489 1HG2 VAL 60 HG21 VAL 60 187.746 -5.699 4.010 490 2HG2 VAL 60 HG22 VAL 60 188.904 -5.198 5.243 491 3HG2 VAL 60 HG23 VAL 60 188.802 -4.317 3.719 492 H LEU 61 HN LEU 61 186.653 -0.226 4.297 493 HA LEU 61 HA LEU 61 185.734 0.650 6.839 494 1HB LEU 61 HB2 LEU 61 185.582 1.606 4.042 495 2HB LEU 61 HB1 LEU 61 184.312 2.171 5.108 496 HG LEU 61 HG LEU 61 186.415 3.629 4.820 497 1HD1 LEU 61 HD11 LEU 61 186.397 3.960 7.453 498 2HD1 LEU 61 HD12 LEU 61 184.966 2.938 7.307 499 3HD1 LEU 61 HD13 LEU 61 185.054 4.464 6.428 500 1HD2 LEU 61 HD21 LEU 61 188.197 3.098 6.477 501 2HD2 LEU 61 HD22 LEU 61 188.127 1.985 5.113 502 3HD2 LEU 61 HD23 LEU 61 187.472 1.505 6.677 503 H VAL 62 HN VAL 62 184.021 -0.038 7.916 504 HA VAL 62 HA VAL 62 181.973 -1.566 6.519 505 HB VAL 62 HB VAL 62 182.549 -1.193 9.455 506 1HG1 VAL 62 HG11 VAL 62 180.190 -2.361 8.080 507 2HG1 VAL 62 HG12 VAL 62 180.299 -1.522 9.626 508 3HG1 VAL 62 HG13 VAL 62 180.818 -3.203 9.497 509 1HG2 VAL 62 HG21 VAL 62 183.773 -2.803 7.630 510 2HG2 VAL 62 HG22 VAL 62 182.518 -3.869 8.261 511 3HG2 VAL 62 HG23 VAL 62 183.681 -3.129 9.361 512 H ALA 63 HN ALA 63 180.295 -0.498 5.730 513 HA ALA 63 HA ALA 63 179.386 1.963 7.003 514 1HB ALA 63 HB1 ALA 63 178.835 2.619 4.952 515 2HB ALA 63 HB2 ALA 63 177.865 1.172 4.681 516 3HB ALA 63 HB3 ALA 63 179.597 1.146 4.353 517 H SER 64 HN SER 64 178.191 1.432 8.774 518 HA SER 64 HA SER 64 176.066 -0.562 8.479 519 1HB SER 64 HB2 SER 64 176.390 0.710 11.110 520 2HB SER 64 HB1 SER 64 176.299 -0.998 10.685 521 HG SER 64 HG SER 64 178.466 -0.977 10.190 522 H GLY 65 HN GLY 65 174.111 0.118 7.934 523 1HA GLY 65 HA2 GLY 65 173.291 2.830 8.774 524 2HA GLY 65 HA1 GLY 65 172.819 2.112 7.242 525 H LYS 66 HN LYS 66 172.251 2.219 10.664 526 HA LYS 66 HA LYS 66 170.037 0.314 10.418 527 1HB LYS 66 HB2 LYS 66 171.493 -0.146 12.272 528 2HB LYS 66 HB1 LYS 66 171.412 1.522 12.820 529 1HG LYS 66 HG2 LYS 66 170.069 -0.025 14.192 530 2HG LYS 66 HG1 LYS 66 169.109 1.259 13.455 531 1HD LYS 66 HD2 LYS 66 167.841 -0.696 13.156 532 2HD LYS 66 HD1 LYS 66 168.610 -0.413 11.594 533 1HE LYS 66 HE2 LYS 66 168.658 -2.792 12.407 534 2HE LYS 66 HE1 LYS 66 170.225 -2.105 11.983 535 1HZ LYS 66 HZ1 LYS 66 169.855 -3.412 14.215 536 2HZ LYS 66 HZ2 LYS 66 169.349 -1.895 14.765 537 3HZ LYS 66 HZ3 LYS 66 170.906 -2.088 14.136 538 H HIS 67 HN HIS 67 168.168 1.202 9.813 539 HA HIS 67 HA HIS 67 167.080 3.393 11.345 540 1HB HIS 67 HB2 HIS 67 168.413 3.984 8.926 541 2HB HIS 67 HB1 HIS 67 166.690 4.130 8.592 542 HD1 HIS 67 HD1 HIS 67 166.076 5.152 11.599 543 HD2 HIS 67 HD2 HIS 67 168.782 6.756 8.884 544 HE1 HIS 67 HE1 HIS 67 166.398 7.544 12.305 545 HE2 HIS 67 HE2 HIS 67 167.973 8.517 10.596 546 H GLU 68 HN GLU 68 164.812 3.848 10.773 547 HA GLU 68 HA GLU 68 163.397 1.404 10.374 548 1HB GLU 68 HB2 GLU 68 162.175 4.157 10.400 549 2HB GLU 68 HB1 GLU 68 161.431 2.632 10.866 550 1HG GLU 68 HG2 GLU 68 163.277 2.574 12.681 551 2HG GLU 68 HG1 GLU 68 163.411 4.300 12.351 552 H ASP 69 HN ASP 69 163.856 4.334 8.426 553 HA ASP 69 HA ASP 69 162.259 3.180 6.280 554 1HB ASP 69 HB2 ASP 69 163.029 5.857 7.071 555 2HB ASP 69 HB1 ASP 69 163.366 5.582 5.364 556 H MET 70 HN MET 70 163.047 3.000 4.123 557 HA MET 70 HA MET 70 165.508 1.645 3.950 558 1HB MET 70 HB2 MET 70 163.813 1.020 2.433 559 2HB MET 70 HB1 MET 70 163.558 2.673 1.902 560 1HG MET 70 HG2 MET 70 166.248 1.987 1.323 561 2HG MET 70 HG1 MET 70 165.217 0.667 0.774 562 1HE MET 70 HE1 MET 70 163.238 1.632 -1.897 563 2HE MET 70 HE2 MET 70 162.429 2.640 -0.698 564 3HE MET 70 HE3 MET 70 163.058 1.058 -0.239 565 H TYR 71 HN TYR 71 164.603 4.653 2.243 566 HA TYR 71 HA TYR 71 167.129 5.310 1.346 567 1HB TYR 71 HB2 TYR 71 164.655 6.880 1.884 568 2HB TYR 71 HB1 TYR 71 166.141 7.768 1.573 569 HD1 TYR 71 HD1 TYR 71 164.045 8.291 -0.233 570 HD2 TYR 71 HD2 TYR 71 166.730 4.988 -0.280 571 HE1 TYR 71 HE1 TYR 71 163.687 8.034 -2.652 572 HE2 TYR 71 HE2 TYR 71 166.381 4.726 -2.688 573 HH TYR 71 HH TYR 71 165.284 6.912 -4.641 574 H THR 72 HN THR 72 165.661 6.154 4.464 575 HA THR 72 HA THR 72 167.742 7.851 5.318 576 HB THR 72 HB THR 72 166.764 6.671 7.634 577 HG1 THR 72 HG1 THR 72 165.275 5.504 6.317 578 1HG2 THR 72 HG21 THR 72 166.844 9.163 6.693 579 2HG2 THR 72 HG22 THR 72 165.862 8.686 8.078 580 3HG2 THR 72 HG23 THR 72 165.124 8.833 6.483 581 H ALA 73 HN ALA 73 167.344 4.378 5.339 582 HA ALA 73 HA ALA 73 169.405 3.710 7.128 583 1HB ALA 73 HB1 ALA 73 169.123 1.524 6.441 584 2HB ALA 73 HB2 ALA 73 168.759 1.983 4.777 585 3HB ALA 73 HB3 ALA 73 167.559 2.238 6.044 586 H ILE 74 HN ILE 74 169.492 3.582 3.555 587 HA ILE 74 HA ILE 74 172.245 3.162 3.347 588 HB ILE 74 HB ILE 74 171.853 4.452 1.034 589 1HG1 ILE 74 HG12 ILE 74 169.402 4.878 2.052 590 2HG1 ILE 74 HG11 ILE 74 169.702 4.692 0.331 591 1HG2 ILE 74 HG21 ILE 74 172.534 2.172 1.177 592 2HG2 ILE 74 HG22 ILE 74 171.151 2.264 0.086 593 3HG2 ILE 74 HG23 ILE 74 170.937 1.674 1.734 594 1HD1 ILE 74 HD11 ILE 74 168.911 2.475 0.336 595 2HD1 ILE 74 HD12 ILE 74 167.754 3.410 1.284 596 3HD1 ILE 74 HD13 ILE 74 168.940 2.388 2.096 597 H ASN 75 HN ASN 75 170.477 6.072 3.977 598 HA ASN 75 HA ASN 75 172.600 7.862 3.254 599 1HB ASN 75 HB2 ASN 75 169.940 8.110 4.577 600 2HB ASN 75 HB1 ASN 75 171.115 9.392 4.859 601 1HD2 ASN 75 HD21 ASN 75 169.506 7.563 2.307 602 2HD2 ASN 75 HD22 ASN 75 169.512 8.839 1.142 603 H GLU 76 HN GLU 76 171.590 6.151 6.120 604 HA GLU 76 HA GLU 76 173.241 7.592 7.946 605 1HB GLU 76 HB2 GLU 76 171.442 5.275 8.036 606 2HB GLU 76 HB1 GLU 76 172.802 5.163 9.143 607 1HG GLU 76 HG2 GLU 76 170.753 7.360 9.011 608 2HG GLU 76 HG1 GLU 76 170.936 6.146 10.276 609 H LEU 77 HN LEU 77 173.595 4.562 6.134 610 HA LEU 77 HA LEU 77 176.030 3.791 7.330 611 1HB LEU 77 HB2 LEU 77 176.218 2.149 5.652 612 2HB LEU 77 HB1 LEU 77 174.505 2.314 5.983 613 HG LEU 77 HG LEU 77 174.506 3.907 3.932 614 1HD1 LEU 77 HD11 LEU 77 176.371 4.130 2.752 615 2HD1 LEU 77 HD12 LEU 77 176.522 2.380 2.593 616 3HD1 LEU 77 HD13 LEU 77 177.226 3.204 3.983 617 1HD2 LEU 77 HD21 LEU 77 174.898 0.942 3.562 618 2HD2 LEU 77 HD22 LEU 77 174.056 2.038 2.465 619 3HD2 LEU 77 HD23 LEU 77 173.395 1.716 4.069 620 H ILE 78 HN ILE 78 175.310 5.671 4.410 621 HA ILE 78 HA ILE 78 177.981 5.940 3.548 622 HB ILE 78 HB ILE 78 176.026 6.414 2.114 623 1HG1 ILE 78 HG12 ILE 78 178.371 7.334 1.707 624 2HG1 ILE 78 HG11 ILE 78 177.053 8.128 0.853 625 1HG2 ILE 78 HG21 ILE 78 174.966 8.669 2.295 626 2HG2 ILE 78 HG22 ILE 78 175.738 8.838 3.871 627 3HG2 ILE 78 HG23 ILE 78 174.563 7.551 3.599 628 1HD1 ILE 78 HD11 ILE 78 177.351 9.529 3.257 629 2HD1 ILE 78 HD12 ILE 78 177.801 10.053 1.636 630 3HD1 ILE 78 HD13 ILE 78 178.982 9.232 2.657 631 H ASN 79 HN ASN 79 176.013 7.828 5.785 632 HA ASN 79 HA ASN 79 177.852 9.974 6.060 633 1HB ASN 79 HB2 ASN 79 176.058 10.840 7.077 634 2HB ASN 79 HB1 ASN 79 175.277 9.266 7.081 635 1HD2 ASN 79 HD21 ASN 79 175.089 8.165 8.950 636 2HD2 ASN 79 HD22 ASN 79 175.662 8.733 10.477 637 H LYS 80 HN LYS 80 177.150 7.182 8.162 638 HA LYS 80 HA LYS 80 179.022 7.644 10.135 639 1HB LYS 80 HB2 LYS 80 177.629 5.258 9.083 640 2HB LYS 80 HB1 LYS 80 179.084 4.941 10.018 641 1HG LYS 80 HG2 LYS 80 178.161 6.250 11.877 642 2HG LYS 80 HG1 LYS 80 176.689 6.516 10.941 643 1HD LYS 80 HD2 LYS 80 177.333 3.713 11.015 644 2HD LYS 80 HD1 LYS 80 177.268 4.368 12.652 645 1HE LYS 80 HE2 LYS 80 175.091 3.491 11.804 646 2HE LYS 80 HE1 LYS 80 175.047 5.179 12.317 647 1HZ LYS 80 HZ1 LYS 80 175.702 5.073 9.586 648 2HZ LYS 80 HZ2 LYS 80 174.331 5.741 10.315 649 3HZ LYS 80 HZ3 LYS 80 174.329 4.119 9.842 650 H LEU 81 HN LEU 81 179.480 5.859 7.087 651 HA LEU 81 HA LEU 81 182.163 5.156 7.537 652 1HB LEU 81 HB2 LEU 81 180.389 5.337 5.162 653 2HB LEU 81 HB1 LEU 81 182.114 5.311 4.858 654 HG LEU 81 HG LEU 81 180.374 3.173 6.012 655 1HD1 LEU 81 HD11 LEU 81 181.670 1.804 4.391 656 2HD1 LEU 81 HD12 LEU 81 182.465 3.283 3.852 657 3HD1 LEU 81 HD13 LEU 81 180.723 3.093 3.649 658 1HD2 LEU 81 HD21 LEU 81 182.771 2.044 6.313 659 2HD2 LEU 81 HD22 LEU 81 181.949 2.896 7.620 660 3HD2 LEU 81 HD23 LEU 81 183.200 3.712 6.687 661 H GLU 82 HN GLU 82 180.682 8.042 6.172 662 HA GLU 82 HA GLU 82 182.873 9.281 5.040 663 1HB GLU 82 HB2 GLU 82 180.533 10.131 4.973 664 2HB GLU 82 HB1 GLU 82 180.708 10.652 6.644 665 1HG GLU 82 HG2 GLU 82 182.814 11.904 5.627 666 2HG GLU 82 HG1 GLU 82 181.835 11.807 4.164 667 H ARG 83 HN ARG 83 181.715 9.701 8.389 668 HA ARG 83 HA ARG 83 183.881 11.255 9.260 669 1HB ARG 83 HB2 ARG 83 181.896 9.514 10.694 670 2HB ARG 83 HB1 ARG 83 183.187 10.321 11.573 671 1HG ARG 83 HG2 ARG 83 181.456 11.922 9.754 672 2HG ARG 83 HG1 ARG 83 180.831 11.428 11.328 673 1HD ARG 83 HD2 ARG 83 181.843 13.638 11.447 674 2HD ARG 83 HD1 ARG 83 182.744 12.481 12.422 675 HE ARG 83 HE ARG 83 183.616 13.706 9.912 676 1HH1 ARG 83 HH11 ARG 83 184.307 11.578 12.599 677 2HH1 ARG 83 HH12 ARG 83 186.007 11.538 12.284 678 1HH2 ARG 83 HH21 ARG 83 185.850 13.648 9.505 679 2HH2 ARG 83 HH22 ARG 83 186.883 12.711 10.531 680 H GLN 84 HN GLN 84 183.307 7.758 9.632 681 HA GLN 84 HA GLN 84 185.680 7.114 10.939 682 1HB GLN 84 HB2 GLN 84 184.085 5.447 8.985 683 2HB GLN 84 HB1 GLN 84 185.331 4.821 10.054 684 1HG GLN 84 HG2 GLN 84 183.955 5.703 11.974 685 2HG GLN 84 HG1 GLN 84 182.667 5.981 10.804 686 1HE2 GLN 84 HE21 GLN 84 183.210 3.677 9.199 687 2HE2 GLN 84 HE22 GLN 84 182.721 2.293 10.110 688 H LEU 85 HN LEU 85 184.982 7.338 7.481 689 HA LEU 85 HA LEU 85 187.303 6.317 6.410 690 1HB LEU 85 HB2 LEU 85 185.193 8.116 5.540 691 2HB LEU 85 HB1 LEU 85 186.732 8.517 4.805 692 HG LEU 85 HG LEU 85 186.189 5.658 4.704 693 1HD1 LEU 85 HD11 LEU 85 184.209 5.542 3.648 694 2HD1 LEU 85 HD12 LEU 85 184.452 7.070 2.802 695 3HD1 LEU 85 HD13 LEU 85 183.890 7.067 4.473 696 1HD2 LEU 85 HD21 LEU 85 186.564 6.219 2.221 697 2HD2 LEU 85 HD22 LEU 85 187.903 6.447 3.345 698 3HD2 LEU 85 HD23 LEU 85 186.965 7.837 2.800 699 H ASN 86 HN ASN 86 186.717 9.789 7.025 700 HA ASN 86 HA ASN 86 189.221 10.764 6.487 701 1HB ASN 86 HB2 ASN 86 187.405 11.669 8.731 702 2HB ASN 86 HB1 ASN 86 188.710 12.613 8.022 703 1HD2 ASN 86 HD21 ASN 86 185.448 11.838 7.885 704 2HD2 ASN 86 HD22 ASN 86 185.068 12.601 6.382 705 H LYS 87 HN LYS 87 188.073 9.690 9.689 706 HA LYS 87 HA LYS 87 190.514 10.027 11.018 707 1HB LYS 87 HB2 LYS 87 188.336 8.031 11.655 708 2HB LYS 87 HB1 LYS 87 189.580 8.601 12.760 709 1HG LYS 87 HG2 LYS 87 187.102 9.923 11.845 710 2HG LYS 87 HG1 LYS 87 187.894 9.960 13.419 711 1HD LYS 87 HD2 LYS 87 188.983 11.374 10.986 712 2HD LYS 87 HD1 LYS 87 187.894 12.140 12.148 713 1HE LYS 87 HE2 LYS 87 189.471 12.132 13.831 714 2HE LYS 87 HE1 LYS 87 190.367 10.786 13.128 715 1HZ LYS 87 HZ1 LYS 87 190.965 12.373 11.285 716 2HZ LYS 87 HZ2 LYS 87 191.673 12.690 12.788 717 3HZ LYS 87 HZ3 LYS 87 190.360 13.617 12.261 718 H LEU 88 HN LEU 88 189.163 7.183 9.382 719 HA LEU 88 HA LEU 88 191.424 5.542 10.002 720 1HB LEU 88 HB2 LEU 88 188.875 5.115 8.966 721 2HB LEU 88 HB1 LEU 88 189.942 4.743 7.627 722 HG LEU 88 HG LEU 88 189.668 2.684 8.653 723 1HD1 LEU 88 HD11 LEU 88 191.770 2.053 9.457 724 2HD1 LEU 88 HD12 LEU 88 192.065 3.632 10.185 725 3HD1 LEU 88 HD13 LEU 88 192.094 3.451 8.432 726 1HD2 LEU 88 HD21 LEU 88 190.232 3.618 11.417 727 2HD2 LEU 88 HD22 LEU 88 189.228 2.281 10.855 728 3HD2 LEU 88 HD23 LEU 88 188.639 3.938 10.730 729 H GLN 89 HN GLN 89 190.930 8.107 7.879 730 HA GLN 89 HA GLN 89 192.757 7.147 5.830 731 1HB GLN 89 HB2 GLN 89 190.656 8.616 5.476 732 2HB GLN 89 HB1 GLN 89 191.683 9.944 5.998 733 1HG GLN 89 HG2 GLN 89 191.881 10.020 3.706 734 2HG GLN 89 HG1 GLN 89 193.305 9.093 4.179 735 1HE2 GLN 89 HE21 GLN 89 193.663 7.641 2.661 736 2HE2 GLN 89 HE22 GLN 89 192.481 6.596 1.956 737 H HIS 90 HN HIS 90 192.865 9.030 8.716 738 HA HIS 90 HA HIS 90 195.058 10.689 8.157 739 1HB HIS 90 HB2 HIS 90 195.194 11.066 10.522 740 2HB HIS 90 HB1 HIS 90 193.496 10.929 10.095 741 HD1 HIS 90 HD1 HIS 90 194.448 7.571 10.085 742 HD2 HIS 90 HD2 HIS 90 193.929 10.360 13.122 743 HE1 HIS 90 HE1 HIS 90 194.110 6.227 12.182 744 HE2 HIS 90 HE2 HIS 90 193.869 7.935 14.017 745 H LYS 91 HN LYS 91 196.231 8.918 6.904 746 HA LYS 91 HA LYS 91 198.113 7.665 6.671 747 1HB LYS 91 HB2 LYS 91 199.160 9.339 8.130 748 2HB LYS 91 HB1 LYS 91 198.620 8.453 9.548 749 1HG LYS 91 HG2 LYS 91 200.985 8.068 9.044 750 2HG LYS 91 HG1 LYS 91 200.034 6.584 8.970 751 1HD LYS 91 HD2 LYS 91 199.976 6.697 6.554 752 2HD LYS 91 HD1 LYS 91 200.810 8.252 6.577 753 1HE LYS 91 HE2 LYS 91 202.829 7.307 7.189 754 2HE LYS 91 HE1 LYS 91 202.067 5.874 7.875 755 1HZ LYS 91 HZ1 LYS 91 203.163 6.155 5.345 756 2HZ LYS 91 HZ2 LYS 91 201.491 6.041 5.115 757 3HZ LYS 91 HZ3 LYS 91 202.314 4.825 5.956 758 H GLY 92 HN GLY 92 196.393 5.958 6.582 759 1HA GLY 92 HA2 GLY 92 195.805 4.294 8.769 760 2HA GLY 92 HA1 GLY 92 195.682 3.833 7.077 761 H GLU 93 HN GLU 93 197.422 2.781 6.074 762 HA GLU 93 HA GLU 93 199.314 1.582 7.975 763 1HB GLU 93 HB2 GLU 93 199.408 0.205 5.496 764 2HB GLU 93 HB1 GLU 93 198.799 -0.374 7.037 765 1HG GLU 93 HG2 GLU 93 197.014 -0.706 5.621 766 2HG GLU 93 HG1 GLU 93 196.620 0.837 6.376 767 H ALA 94 HN ALA 94 199.495 1.919 4.447 768 HA ALA 94 HA ALA 94 201.460 3.926 4.396 769 1HB ALA 94 HB1 ALA 94 202.862 2.264 5.496 770 2HB ALA 94 HB2 ALA 94 203.453 2.607 3.869 771 3HB ALA 94 HB3 ALA 94 202.553 1.122 4.188 772 H ARG 95 HN ARG 95 201.294 0.819 2.661 773 HA ARG 95 HA ARG 95 200.142 2.148 0.340 774 1HB ARG 95 HB2 ARG 95 202.656 0.534 -0.025 775 2HB ARG 95 HB1 ARG 95 201.868 1.607 -1.174 776 1HG ARG 95 HG2 ARG 95 202.428 3.481 0.473 777 2HG ARG 95 HG1 ARG 95 203.523 2.316 1.220 778 1HD ARG 95 HD2 ARG 95 203.571 3.137 -1.679 779 2HD ARG 95 HD1 ARG 95 204.643 3.768 -0.433 780 HE ARG 95 HE ARG 95 205.467 1.444 -0.182 781 1HH1 ARG 95 HH11 ARG 95 203.931 2.392 -3.182 782 2HH1 ARG 95 HH12 ARG 95 204.741 1.181 -4.113 783 1HH2 ARG 95 HH21 ARG 95 206.523 -0.140 -1.417 784 2HH2 ARG 95 HH22 ARG 95 206.207 -0.253 -3.117 785 H ARG 96 HN ARG 96 198.614 0.888 -0.480 786 HA ARG 96 HA ARG 96 198.519 -1.917 0.291 787 1HB ARG 96 HB2 ARG 96 196.237 -1.899 -0.372 788 2HB ARG 96 HB1 ARG 96 196.521 -0.391 0.483 789 1HG ARG 96 HG2 ARG 96 196.697 -0.500 -2.504 790 2HG ARG 96 HG1 ARG 96 195.137 -0.370 -1.692 791 1HD ARG 96 HD2 ARG 96 195.465 1.828 -1.629 792 2HD ARG 96 HD1 ARG 96 196.728 1.528 -0.436 793 HE ARG 96 HE ARG 96 198.237 2.192 -1.998 794 1HH1 ARG 96 HH11 ARG 96 195.405 1.026 -3.670 795 2HH1 ARG 96 HH12 ARG 96 196.021 1.409 -5.242 796 1HH2 ARG 96 HH21 ARG 96 199.050 2.699 -4.064 797 2HH2 ARG 96 HH22 ARG 96 198.090 2.360 -5.466 798 H ALA 97 HN ALA 97 198.257 -3.626 -1.202 799 HA ALA 97 HA ALA 97 199.659 -3.167 -3.711 800 1HB ALA 97 HB1 ALA 97 200.328 -5.308 -3.585 801 2HB ALA 97 HB2 ALA 97 198.732 -5.888 -3.112 802 3HB ALA 97 HB3 ALA 97 199.809 -5.186 -1.904 803 H ALA 98 HN ALA 98 198.834 -4.493 -5.637 804 HA ALA 98 HA ALA 98 196.016 -3.805 -6.017 805 1HB ALA 98 HB1 ALA 98 196.564 -4.260 -8.449 806 2HB ALA 98 HB2 ALA 98 198.247 -4.404 -7.942 807 3HB ALA 98 HB3 ALA 98 197.382 -2.885 -7.706 808 H THR 99 HN THR 99 194.953 -5.381 -7.736 809 HA THR 99 HA THR 99 194.697 -7.899 -6.396 810 HB THR 99 HB THR 99 192.763 -6.758 -7.407 811 HG1 THR 99 HG1 THR 99 192.167 -8.773 -7.375 812 1HG2 THR 99 HG21 THR 99 193.482 -5.740 -9.365 813 2HG2 THR 99 HG22 THR 99 192.497 -7.092 -9.926 814 3HG2 THR 99 HG23 THR 99 194.256 -7.210 -9.959 815 H SER 100 HN SER 100 194.296 -9.748 -8.350 816 HA SER 100 HA SER 100 196.949 -10.553 -8.961 817 1HB SER 100 HB2 SER 100 194.221 -11.645 -9.564 818 2HB SER 100 HB1 SER 100 195.634 -12.328 -10.366 819 HG SER 100 HG SER 100 196.512 -12.551 -8.167 820 H VAL 101 HN VAL 101 197.871 -8.971 -10.277 821 HA VAL 101 HA VAL 101 196.642 -8.508 -12.885 822 HB VAL 101 HB VAL 101 197.270 -6.440 -12.088 823 1HG1 VAL 101 HG11 VAL 101 199.251 -7.897 -10.575 824 2HG1 VAL 101 HG12 VAL 101 198.493 -6.343 -10.243 825 3HG1 VAL 101 HG13 VAL 101 199.921 -6.425 -11.273 826 1HG2 VAL 101 HG21 VAL 101 199.907 -6.885 -13.370 827 2HG2 VAL 101 HG22 VAL 101 198.706 -5.623 -13.646 828 3HG2 VAL 101 HG23 VAL 101 198.463 -7.232 -14.321 829 H LYS 102 HN LYS 102 200.085 -8.856 -11.969 830 HA LYS 102 HA LYS 102 200.517 -10.360 -14.423 831 1HB LYS 102 HB2 LYS 102 202.099 -8.603 -12.771 832 2HB LYS 102 HB1 LYS 102 202.944 -10.126 -13.016 833 1HG LYS 102 HG2 LYS 102 201.920 -8.261 -15.143 834 2HG LYS 102 HG1 LYS 102 203.603 -8.585 -14.724 835 1HD LYS 102 HD2 LYS 102 202.239 -11.047 -15.308 836 2HD LYS 102 HD1 LYS 102 202.019 -9.904 -16.635 837 1HE LYS 102 HE2 LYS 102 204.632 -10.813 -15.438 838 2HE LYS 102 HE1 LYS 102 203.999 -11.223 -17.030 839 1HZ LYS 102 HZ1 LYS 102 204.025 -8.461 -16.898 840 2HZ LYS 102 HZ2 LYS 102 205.059 -9.452 -17.797 841 3HZ LYS 102 HZ3 LYS 102 205.503 -8.959 -16.242 842 H ASP 103 HN ASP 103 200.226 -10.881 -11.028 843 HA ASP 103 HA ASP 103 201.750 -13.138 -10.583 844 1HB ASP 103 HB2 ASP 103 200.214 -11.778 -8.979 845 2HB ASP 103 HB1 ASP 103 198.974 -12.933 -9.456 846 H ALA 104 HN ALA 104 198.280 -13.169 -11.431 847 HA ALA 104 HA ALA 104 198.177 -15.936 -11.944 848 1HB ALA 104 HB1 ALA 104 196.391 -13.664 -12.780 849 2HB ALA 104 HB2 ALA 104 196.140 -14.829 -11.478 850 3HB ALA 104 HB3 ALA 104 196.039 -15.349 -13.161 851 H ASN 105 HN ASN 105 197.859 -17.015 -13.990 852 HA ASN 105 HA ASN 105 199.656 -15.975 -16.027 853 1HB ASN 105 HB2 ASN 105 198.412 -18.656 -15.490 854 2HB ASN 105 HB1 ASN 105 199.132 -18.304 -17.059 855 1HD2 ASN 105 HD21 ASN 105 199.807 -20.024 -14.596 856 2HD2 ASN 105 HD22 ASN 105 201.490 -19.716 -14.355 857 H PHE 106 HN PHE 106 198.360 -14.302 -16.875 858 HA PHE 106 HA PHE 106 195.759 -14.868 -17.964 859 1HB PHE 106 HB2 PHE 106 197.575 -12.465 -18.041 860 2HB PHE 106 HB1 PHE 106 196.073 -12.519 -18.955 861 HD1 PHE 106 HD1 PHE 106 195.929 -14.312 -15.854 862 HD2 PHE 106 HD2 PHE 106 195.563 -10.445 -17.597 863 HE1 PHE 106 HE1 PHE 106 194.697 -13.538 -13.871 864 HE2 PHE 106 HE2 PHE 106 194.331 -9.666 -15.616 865 HZ PHE 106 HZ PHE 106 193.897 -11.213 -13.750 866 H VAL 107 HN VAL 107 195.360 -15.759 -19.867 867 HA VAL 107 HA VAL 107 197.507 -16.139 -21.777 868 HB VAL 107 HB VAL 107 194.629 -17.025 -22.007 869 1HG1 VAL 107 HG11 VAL 107 195.604 -17.161 -24.132 870 2HG1 VAL 107 HG12 VAL 107 195.747 -18.791 -23.474 871 3HG1 VAL 107 HG13 VAL 107 197.147 -17.720 -23.485 872 1HG2 VAL 107 HG21 VAL 107 196.724 -18.965 -21.261 873 2HG2 VAL 107 HG22 VAL 107 195.039 -18.865 -20.756 874 3HG2 VAL 107 HG23 VAL 107 196.245 -17.816 -20.012 875 H GLU 108 HN GLU 108 197.211 -15.675 -24.072 876 HA GLU 108 HA GLU 108 196.500 -12.993 -24.527 877 1HB GLU 108 HB2 GLU 108 196.918 -15.191 -26.562 878 2HB GLU 108 HB1 GLU 108 196.966 -13.464 -26.884 879 1HG GLU 108 HG2 GLU 108 199.077 -13.289 -26.210 880 2HG GLU 108 HG1 GLU 108 198.785 -14.252 -24.762 881 H GLU 109 HN GLU 109 195.204 -14.409 -27.217 882 HA GLU 109 HA GLU 109 192.643 -13.382 -26.829 883 1HB GLU 109 HB2 GLU 109 193.914 -14.205 -28.990 884 2HB GLU 109 HB1 GLU 109 193.054 -15.704 -28.666 885 1HG GLU 109 HG2 GLU 109 191.773 -14.435 -30.216 886 2HG GLU 109 HG1 GLU 109 190.931 -14.414 -28.667 887 H VAL 110 HN VAL 110 190.655 -14.325 -26.357 888 HA VAL 110 HA VAL 110 190.516 -17.096 -25.576 889 HB VAL 110 HB VAL 110 191.416 -16.156 -23.548 890 1HG1 VAL 110 HG11 VAL 110 189.488 -14.531 -22.442 891 2HG1 VAL 110 HG12 VAL 110 189.565 -13.996 -24.122 892 3HG1 VAL 110 HG13 VAL 110 191.026 -14.009 -23.133 893 1HG2 VAL 110 HG21 VAL 110 188.814 -17.403 -23.698 894 2HG2 VAL 110 HG22 VAL 110 188.986 -16.439 -22.232 895 3HG2 VAL 110 HG23 VAL 110 190.153 -17.712 -22.589 896 H GLU 111 HN GLU 111 188.149 -15.376 -23.901 897 HA GLU 111 HA GLU 111 186.220 -15.984 -25.998 898 1HB GLU 111 HB2 GLU 111 186.192 -16.380 -23.252 899 2HB GLU 111 HB1 GLU 111 185.125 -15.001 -23.479 900 1HG GLU 111 HG2 GLU 111 183.569 -16.207 -24.614 901 2HG GLU 111 HG1 GLU 111 184.758 -17.333 -25.269 902 H GLU 112 HN GLU 112 187.830 -13.750 -26.479 903 HA GLU 112 HA GLU 112 186.032 -11.481 -25.972 904 1HB GLU 112 HB2 GLU 112 188.893 -11.763 -25.965 905 2HB GLU 112 HB1 GLU 112 188.424 -10.568 -27.166 906 1HG GLU 112 HG2 GLU 112 188.840 -9.454 -25.098 907 2HG GLU 112 HG1 GLU 112 187.108 -9.403 -25.424 908 H GLU 113 HN GLU 113 187.867 -13.115 -28.524 909 HA GLU 113 HA GLU 113 186.749 -11.477 -30.606 910 1HB GLU 113 HB2 GLU 113 187.889 -13.108 -32.122 911 2HB GLU 113 HB1 GLU 113 188.957 -12.346 -30.952 912 1HG GLU 113 HG2 GLU 113 189.251 -14.281 -29.752 913 2HG GLU 113 HG1 GLU 113 187.728 -14.979 -30.300 Start of MODEL 24 1 1H MET 1 HT1 MET 1 187.138 -0.606 -6.663 2 2H MET 1 HT2 MET 1 186.898 -0.790 -8.352 3 3H MET 1 HT3 MET 1 187.179 -2.167 -7.368 4 HA MET 1 HA MET 1 185.121 -1.494 -6.136 5 1HB MET 1 HB2 MET 1 185.323 0.529 -8.203 6 2HB MET 1 HB1 MET 1 183.789 -0.321 -8.307 7 1HG MET 1 HG2 MET 1 183.185 0.292 -6.116 8 2HG MET 1 HG1 MET 1 184.819 0.834 -5.737 9 1HE MET 1 HE1 MET 1 185.303 2.907 -8.653 10 2HE MET 1 HE2 MET 1 186.008 2.512 -7.085 11 3HE MET 1 HE3 MET 1 185.303 4.106 -7.359 12 H THR 2 HN THR 2 185.220 -3.773 -6.441 13 HA THR 2 HA THR 2 184.560 -4.913 -9.002 14 HB THR 2 HB THR 2 184.250 -6.785 -6.840 15 HG1 THR 2 HG1 THR 2 186.644 -5.265 -6.790 16 1HG2 THR 2 HG21 THR 2 185.115 -7.936 -8.532 17 2HG2 THR 2 HG22 THR 2 186.674 -7.326 -7.977 18 3HG2 THR 2 HG23 THR 2 185.815 -6.498 -9.275 19 H MET 3 HN MET 3 182.718 -3.391 -6.717 20 HA MET 3 HA MET 3 180.485 -3.251 -6.320 21 1HB MET 3 HB2 MET 3 180.633 -3.506 -8.949 22 2HB MET 3 HB1 MET 3 179.876 -5.058 -8.619 23 1HG MET 3 HG2 MET 3 177.951 -3.959 -8.748 24 2HG MET 3 HG1 MET 3 178.344 -3.343 -7.144 25 1HE MET 3 HE1 MET 3 178.198 -1.142 -6.565 26 2HE MET 3 HE2 MET 3 176.767 -1.022 -7.588 27 3HE MET 3 HE3 MET 3 177.992 0.245 -7.635 28 H ASN 4 HN ASN 4 180.859 -4.544 -4.408 29 HA ASN 4 HA ASN 4 179.969 -7.334 -4.626 30 1HB ASN 4 HB2 ASN 4 181.560 -5.845 -2.550 31 2HB ASN 4 HB1 ASN 4 180.818 -7.403 -2.192 32 1HD2 ASN 4 HD21 ASN 4 182.861 -5.837 -4.629 33 2HD2 ASN 4 HD22 ASN 4 183.890 -7.200 -4.890 34 H ILE 5 HN ILE 5 177.980 -7.853 -4.039 35 HA ILE 5 HA ILE 5 176.623 -6.272 -1.973 36 HB ILE 5 HB ILE 5 175.268 -7.130 -4.530 37 1HG1 ILE 5 HG12 ILE 5 175.221 -4.347 -4.375 38 2HG1 ILE 5 HG11 ILE 5 176.865 -4.776 -3.915 39 1HG2 ILE 5 HG21 ILE 5 173.512 -5.515 -3.654 40 2HG2 ILE 5 HG22 ILE 5 174.366 -5.593 -2.114 41 3HG2 ILE 5 HG23 ILE 5 173.669 -7.055 -2.809 42 1HD1 ILE 5 HD11 ILE 5 175.754 -6.101 -6.311 43 2HD1 ILE 5 HD12 ILE 5 177.389 -5.529 -5.980 44 3HD1 ILE 5 HD13 ILE 5 176.128 -4.382 -6.433 45 H THR 6 HN THR 6 175.097 -7.416 -0.744 46 HA THR 6 HA THR 6 174.409 -10.127 -1.361 47 HB THR 6 HB THR 6 176.306 -9.620 0.938 48 HG1 THR 6 HG1 THR 6 176.681 -11.181 -1.396 49 1HG2 THR 6 HG21 THR 6 174.463 -11.770 0.473 50 2HG2 THR 6 HG22 THR 6 175.530 -11.474 1.846 51 3HG2 THR 6 HG23 THR 6 176.129 -12.349 0.437 52 H SER 7 HN SER 7 172.336 -9.123 -1.085 53 HA SER 7 HA SER 7 171.611 -8.296 1.618 54 1HB SER 7 HB2 SER 7 170.089 -8.261 -0.996 55 2HB SER 7 HB1 SER 7 169.384 -7.784 0.548 56 HG SER 7 HG SER 7 171.565 -6.586 -0.807 57 H LYS 8 HN LYS 8 169.777 -9.245 2.719 58 HA LYS 8 HA LYS 8 169.824 -12.086 2.636 59 1HB LYS 8 HB2 LYS 8 168.434 -10.016 4.246 60 2HB LYS 8 HB1 LYS 8 167.696 -11.610 4.202 61 1HG LYS 8 HG2 LYS 8 170.554 -11.740 4.677 62 2HG LYS 8 HG1 LYS 8 169.710 -10.778 5.892 63 1HD LYS 8 HD2 LYS 8 169.835 -13.123 6.559 64 2HD LYS 8 HD1 LYS 8 168.163 -12.630 6.287 65 1HE LYS 8 HE2 LYS 8 167.897 -14.208 4.746 66 2HE LYS 8 HE1 LYS 8 169.293 -13.619 3.845 67 1HZ LYS 8 HZ1 LYS 8 169.995 -15.705 4.362 68 2HZ LYS 8 HZ2 LYS 8 169.125 -15.780 5.812 69 3HZ LYS 8 HZ3 LYS 8 170.565 -14.895 5.735 70 H GLN 9 HN GLN 9 166.714 -10.440 2.769 71 HA GLN 9 HA GLN 9 165.885 -12.005 0.417 72 1HB GLN 9 HB2 GLN 9 163.686 -12.170 1.341 73 2HB GLN 9 HB1 GLN 9 164.824 -12.638 2.596 74 1HG GLN 9 HG2 GLN 9 163.799 -9.833 2.444 75 2HG GLN 9 HG1 GLN 9 162.844 -11.107 3.197 76 1HE2 GLN 9 HE21 GLN 9 165.235 -8.818 3.654 77 2HE2 GLN 9 HE22 GLN 9 165.816 -9.348 5.191 78 H MET 10 HN MET 10 166.108 -8.866 1.821 79 HA MET 10 HA MET 10 164.189 -7.562 0.173 80 1HB MET 10 HB2 MET 10 164.794 -6.495 2.215 81 2HB MET 10 HB1 MET 10 166.507 -6.566 1.829 82 1HG MET 10 HG2 MET 10 165.512 -4.308 1.622 83 2HG MET 10 HG1 MET 10 166.269 -4.895 0.142 84 1HE MET 10 HE1 MET 10 161.717 -5.330 0.642 85 2HE MET 10 HE2 MET 10 162.745 -4.865 1.997 86 3HE MET 10 HE3 MET 10 162.932 -6.453 1.250 87 H GLU 11 HN GLU 11 164.658 -8.312 -1.935 88 HA GLU 11 HA GLU 11 167.103 -8.192 -3.244 89 1HB GLU 11 HB2 GLU 11 165.830 -8.229 -5.322 90 2HB GLU 11 HB1 GLU 11 165.118 -9.329 -4.150 91 1HG GLU 11 HG2 GLU 11 163.766 -6.973 -3.704 92 2HG GLU 11 HG1 GLU 11 163.982 -6.997 -5.454 93 H ILE 12 HN ILE 12 168.342 -6.586 -3.965 94 HA ILE 12 HA ILE 12 167.771 -3.889 -3.403 95 HB ILE 12 HB ILE 12 169.786 -4.781 -5.454 96 1HG1 ILE 12 HG12 ILE 12 171.192 -4.589 -3.107 97 2HG1 ILE 12 HG11 ILE 12 169.692 -5.339 -2.568 98 1HG2 ILE 12 HG21 ILE 12 170.829 -2.776 -5.105 99 2HG2 ILE 12 HG22 ILE 12 170.222 -2.621 -3.457 100 3HG2 ILE 12 HG23 ILE 12 169.152 -2.307 -4.823 101 1HD1 ILE 12 HD11 ILE 12 170.838 -7.211 -3.086 102 2HD1 ILE 12 HD12 ILE 12 171.833 -6.402 -4.297 103 3HD1 ILE 12 HD13 ILE 12 170.179 -6.873 -4.687 104 H THR 13 HN THR 13 165.788 -3.360 -4.349 105 HA THR 13 HA THR 13 165.123 -3.723 -7.052 106 HB THR 13 HB THR 13 163.278 -2.309 -6.654 107 HG1 THR 13 HG1 THR 13 163.894 -0.431 -5.913 108 1HG2 THR 13 HG21 THR 13 163.960 -4.161 -4.649 109 2HG2 THR 13 HG22 THR 13 162.360 -3.570 -5.098 110 3HG2 THR 13 HG23 THR 13 163.287 -2.743 -3.846 111 HA PRO 14 HA PRO 14 167.303 -0.809 -9.515 112 1HB PRO 14 HB2 PRO 14 165.135 0.688 -10.533 113 2HB PRO 14 HB1 PRO 14 165.893 -0.719 -11.280 114 1HG PRO 14 HG2 PRO 14 163.419 -0.548 -9.641 115 2HG PRO 14 HG1 PRO 14 163.806 -1.633 -10.989 116 1HD PRO 14 HD2 PRO 14 163.810 -2.504 -8.460 117 2HD PRO 14 HD1 PRO 14 165.011 -3.087 -9.632 118 H ALA 15 HN ALA 15 164.603 0.624 -7.689 119 HA ALA 15 HA ALA 15 165.685 3.245 -7.631 120 1HB ALA 15 HB1 ALA 15 163.367 3.065 -7.264 121 2HB ALA 15 HB2 ALA 15 164.047 3.541 -5.709 122 3HB ALA 15 HB3 ALA 15 163.578 1.865 -5.991 123 H ILE 16 HN ILE 16 165.792 0.532 -5.359 124 HA ILE 16 HA ILE 16 167.218 1.932 -3.336 125 HB ILE 16 HB ILE 16 167.078 -1.053 -3.778 126 1HG1 ILE 16 HG12 ILE 16 165.325 0.624 -1.983 127 2HG1 ILE 16 HG11 ILE 16 164.858 0.168 -3.616 128 1HG2 ILE 16 HG21 ILE 16 168.272 0.645 -1.722 129 2HG2 ILE 16 HG22 ILE 16 168.573 -1.048 -2.112 130 3HG2 ILE 16 HG23 ILE 16 167.209 -0.609 -1.083 131 1HD1 ILE 16 HD11 ILE 16 165.108 -1.506 -1.175 132 2HD1 ILE 16 HD12 ILE 16 165.378 -2.248 -2.752 133 3HD1 ILE 16 HD13 ILE 16 163.837 -1.468 -2.396 134 H ARG 17 HN ARG 17 168.223 -0.407 -5.826 135 HA ARG 17 HA ARG 17 170.944 -0.437 -5.160 136 1HB ARG 17 HB2 ARG 17 171.166 -1.850 -6.913 137 2HB ARG 17 HB1 ARG 17 169.410 -1.830 -6.900 138 1HG ARG 17 HG2 ARG 17 169.801 -1.450 -9.109 139 2HG ARG 17 HG1 ARG 17 169.754 0.215 -8.528 140 1HD ARG 17 HD2 ARG 17 172.301 -0.075 -8.204 141 2HD ARG 17 HD1 ARG 17 172.123 -1.461 -9.278 142 HE ARG 17 HE ARG 17 171.994 1.322 -9.994 143 1HH1 ARG 17 HH11 ARG 17 171.062 -1.917 -10.901 144 2HH1 ARG 17 HH12 ARG 17 170.898 -1.533 -12.582 145 1HH2 ARG 17 HH21 ARG 17 171.783 1.827 -12.205 146 2HH2 ARG 17 HH22 ARG 17 171.308 0.593 -13.323 147 H GLN 18 HN GLN 18 169.040 1.779 -7.065 148 HA GLN 18 HA GLN 18 171.186 3.110 -8.350 149 1HB GLN 18 HB2 GLN 18 168.295 3.610 -7.924 150 2HB GLN 18 HB1 GLN 18 169.287 5.022 -8.266 151 1HG GLN 18 HG2 GLN 18 169.181 2.551 -9.981 152 2HG GLN 18 HG1 GLN 18 168.256 4.024 -10.273 153 1HE2 GLN 18 HE21 GLN 18 169.391 5.944 -10.807 154 2HE2 GLN 18 HE22 GLN 18 170.964 5.872 -11.517 155 H HIS 19 HN HIS 19 169.383 3.761 -5.365 156 HA HIS 19 HA HIS 19 170.604 6.181 -4.689 157 1HB HIS 19 HB2 HIS 19 168.666 4.606 -3.566 158 2HB HIS 19 HB1 HIS 19 169.983 4.422 -2.413 159 HD1 HIS 19 HD1 HIS 19 168.121 7.256 -4.142 160 HD2 HIS 19 HD2 HIS 19 170.073 6.405 -0.574 161 HE1 HIS 19 HE1 HIS 19 167.792 9.287 -2.695 162 HE2 HIS 19 HE2 HIS 19 169.044 8.778 -0.570 163 H VAL 20 HN VAL 20 171.345 2.978 -3.291 164 HA VAL 20 HA VAL 20 173.631 3.646 -1.907 165 HB VAL 20 HB VAL 20 173.284 1.041 -3.392 166 1HG1 VAL 20 HG11 VAL 20 174.575 1.490 -0.719 167 2HG1 VAL 20 HG12 VAL 20 175.477 1.611 -2.230 168 3HG1 VAL 20 HG13 VAL 20 174.704 0.090 -1.781 169 1HG2 VAL 20 HG21 VAL 20 172.378 0.573 -0.862 170 2HG2 VAL 20 HG22 VAL 20 171.352 0.860 -2.267 171 3HG2 VAL 20 HG23 VAL 20 171.751 2.189 -1.179 172 H ALA 21 HN ALA 21 173.251 3.018 -5.338 173 HA ALA 21 HA ALA 21 175.999 2.807 -5.981 174 1HB ALA 21 HB1 ALA 21 174.632 1.986 -7.648 175 2HB ALA 21 HB2 ALA 21 175.085 3.558 -8.307 176 3HB ALA 21 HB3 ALA 21 173.510 3.344 -7.543 177 H ASP 22 HN ASP 22 173.787 5.519 -5.681 178 HA ASP 22 HA ASP 22 175.461 7.485 -6.834 179 1HB ASP 22 HB2 ASP 22 173.020 7.484 -5.134 180 2HB ASP 22 HB1 ASP 22 173.970 8.966 -5.173 181 H ARG 23 HN ARG 23 174.719 6.875 -3.398 182 HA ARG 23 HA ARG 23 176.500 8.604 -2.238 183 1HB ARG 23 HB2 ARG 23 176.703 6.383 -0.578 184 2HB ARG 23 HB1 ARG 23 175.532 7.679 -0.446 185 1HG ARG 23 HG2 ARG 23 174.911 5.407 -2.256 186 2HG ARG 23 HG1 ARG 23 174.823 5.143 -0.516 187 1HD ARG 23 HD2 ARG 23 173.212 7.002 -2.226 188 2HD ARG 23 HD1 ARG 23 172.659 5.782 -1.087 189 HE ARG 23 HE ARG 23 173.142 7.258 0.694 190 1HH1 ARG 23 HH11 ARG 23 173.706 8.707 -2.440 191 2HH1 ARG 23 HH12 ARG 23 173.647 10.327 -1.835 192 1HH2 ARG 23 HH21 ARG 23 173.069 9.391 1.480 193 2HH2 ARG 23 HH22 ARG 23 173.289 10.715 0.386 194 H LEU 24 HN LEU 24 177.191 5.202 -3.064 195 HA LEU 24 HA LEU 24 179.878 5.192 -2.332 196 1HB LEU 24 HB2 LEU 24 178.340 3.254 -3.071 197 2HB LEU 24 HB1 LEU 24 178.846 3.661 -4.700 198 HG LEU 24 HG LEU 24 181.256 3.400 -3.760 199 1HD1 LEU 24 HD11 LEU 24 181.530 1.981 -1.890 200 2HD1 LEU 24 HD12 LEU 24 179.802 1.639 -1.806 201 3HD1 LEU 24 HD13 LEU 24 180.404 3.243 -1.394 202 1HD2 LEU 24 HD21 LEU 24 179.291 1.395 -4.650 203 2HD2 LEU 24 HD22 LEU 24 180.756 0.756 -3.906 204 3HD2 LEU 24 HD23 LEU 24 180.871 1.813 -5.313 205 H ALA 25 HN ALA 25 178.313 6.363 -5.236 206 HA ALA 25 HA ALA 25 180.645 6.629 -6.823 207 1HB ALA 25 HB1 ALA 25 179.171 7.182 -8.393 208 2HB ALA 25 HB2 ALA 25 178.639 8.592 -7.476 209 3HB ALA 25 HB3 ALA 25 177.902 7.018 -7.179 210 H LYS 26 HN LYS 26 178.747 9.093 -5.069 211 HA LYS 26 HA LYS 26 180.544 11.202 -5.481 212 1HB LYS 26 HB2 LYS 26 178.299 10.671 -3.600 213 2HB LYS 26 HB1 LYS 26 179.394 11.991 -3.208 214 1HG LYS 26 HG2 LYS 26 178.232 13.292 -4.567 215 2HG LYS 26 HG1 LYS 26 178.772 12.298 -5.922 216 1HD LYS 26 HD2 LYS 26 176.440 12.276 -6.095 217 2HD LYS 26 HD1 LYS 26 176.823 10.746 -5.304 218 1HE LYS 26 HE2 LYS 26 176.434 12.928 -3.417 219 2HE LYS 26 HE1 LYS 26 175.015 12.634 -4.419 220 1HZ LYS 26 HZ1 LYS 26 176.384 10.368 -3.139 221 2HZ LYS 26 HZ2 LYS 26 174.763 10.517 -3.598 222 3HZ LYS 26 HZ3 LYS 26 175.331 11.328 -2.226 223 H LEU 27 HN LEU 27 180.479 8.641 -3.108 224 HA LEU 27 HA LEU 27 182.330 9.798 -1.295 225 1HB LEU 27 HB2 LEU 27 180.723 7.549 -1.327 226 2HB LEU 27 HB1 LEU 27 182.344 6.884 -1.381 227 HG LEU 27 HG LEU 27 182.609 8.717 0.613 228 1HD1 LEU 27 HD11 LEU 27 179.934 8.784 0.245 229 2HD1 LEU 27 HD12 LEU 27 180.732 9.102 1.785 230 3HD1 LEU 27 HD13 LEU 27 180.068 7.503 1.450 231 1HD2 LEU 27 HD21 LEU 27 182.109 6.657 2.116 232 2HD2 LEU 27 HD22 LEU 27 183.465 6.605 0.989 233 3HD2 LEU 27 HD23 LEU 27 181.948 5.804 0.582 234 H GLU 28 HN GLU 28 182.735 8.473 -4.397 235 HA GLU 28 HA GLU 28 185.276 7.286 -4.132 236 1HB GLU 28 HB2 GLU 28 185.305 7.130 -6.441 237 2HB GLU 28 HB1 GLU 28 183.582 7.225 -6.113 238 1HG GLU 28 HG2 GLU 28 183.609 9.608 -6.664 239 2HG GLU 28 HG1 GLU 28 185.337 9.509 -6.990 240 H LYS 29 HN LYS 29 184.305 10.544 -3.972 241 HA LYS 29 HA LYS 29 186.823 11.653 -4.851 242 1HB LYS 29 HB2 LYS 29 184.198 12.705 -3.983 243 2HB LYS 29 HB1 LYS 29 185.585 13.727 -3.635 244 1HG LYS 29 HG2 LYS 29 185.650 14.426 -5.732 245 2HG LYS 29 HG1 LYS 29 185.777 12.767 -6.319 246 1HD LYS 29 HD2 LYS 29 183.093 13.606 -5.434 247 2HD LYS 29 HD1 LYS 29 183.709 14.415 -6.876 248 1HE LYS 29 HE2 LYS 29 184.316 11.995 -7.630 249 2HE LYS 29 HE1 LYS 29 183.118 11.519 -6.426 250 1HZ LYS 29 HZ1 LYS 29 182.039 11.714 -8.522 251 2HZ LYS 29 HZ2 LYS 29 182.682 13.255 -8.794 252 3HZ LYS 29 HZ3 LYS 29 181.531 13.021 -7.574 253 H TRP 30 HN TRP 30 186.194 9.912 -2.242 254 HA TRP 30 HA TRP 30 187.458 11.650 -0.267 255 1HB TRP 30 HB2 TRP 30 185.904 9.116 -0.184 256 2HB TRP 30 HB1 TRP 30 187.114 9.347 1.070 257 HD1 TRP 30 HD1 TRP 30 183.706 10.563 -0.057 258 HE1 TRP 30 HE1 TRP 30 182.719 12.097 1.760 259 HE3 TRP 30 HE3 TRP 30 187.834 11.060 2.920 260 HZ2 TRP 30 HZ2 TRP 30 183.574 13.348 4.142 261 HZ3 TRP 30 HZ3 TRP 30 187.666 12.442 4.947 262 HH2 TRP 30 HH2 TRP 30 185.581 13.565 5.543 263 H GLN 31 HN GLN 31 189.036 10.831 -2.509 264 HA GLN 31 HA GLN 31 191.032 9.893 -3.067 265 1HB GLN 31 HB2 GLN 31 191.262 11.088 -0.516 266 2HB GLN 31 HB1 GLN 31 192.189 9.595 -0.459 267 1HG GLN 31 HG2 GLN 31 192.536 11.912 -2.339 268 2HG GLN 31 HG1 GLN 31 193.667 11.315 -1.126 269 1HE2 GLN 31 HE21 GLN 31 192.903 11.319 -4.346 270 2HE2 GLN 31 HE22 GLN 31 193.818 9.945 -4.852 271 H THR 32 HN THR 32 188.772 8.077 -1.844 272 HA THR 32 HA THR 32 190.368 5.785 -1.033 273 HB THR 32 HB THR 32 187.379 5.832 -1.402 274 HG1 THR 32 HG1 THR 32 187.574 7.444 0.001 275 1HG2 THR 32 HG21 THR 32 187.417 3.822 -0.498 276 2HG2 THR 32 HG22 THR 32 188.271 4.445 0.913 277 3HG2 THR 32 HG23 THR 32 189.179 3.871 -0.485 278 H HIS 33 HN HIS 33 190.909 4.151 -2.336 279 HA HIS 33 HA HIS 33 190.165 4.291 -5.125 280 1HB HIS 33 HB2 HIS 33 192.055 2.520 -3.582 281 2HB HIS 33 HB1 HIS 33 191.733 2.297 -5.299 282 HD1 HIS 33 HD1 HIS 33 193.222 3.556 -6.827 283 HD2 HIS 33 HD2 HIS 33 193.108 5.245 -3.032 284 HE1 HIS 33 HE1 HIS 33 194.889 5.437 -6.879 285 HE2 HIS 33 HE2 HIS 33 194.876 6.378 -4.541 286 H LEU 34 HN LEU 34 188.632 3.056 -2.529 287 HA LEU 34 HA LEU 34 187.380 1.138 -2.099 288 1HB LEU 34 HB2 LEU 34 186.052 1.969 -4.649 289 2HB LEU 34 HB1 LEU 34 185.319 1.438 -3.146 290 HG LEU 34 HG LEU 34 186.855 3.867 -2.760 291 1HD1 LEU 34 HD11 LEU 34 184.955 5.190 -3.997 292 2HD1 LEU 34 HD12 LEU 34 184.944 3.759 -5.027 293 3HD1 LEU 34 HD13 LEU 34 186.426 4.694 -4.833 294 1HD2 LEU 34 HD21 LEU 34 185.374 3.497 -1.085 295 2HD2 LEU 34 HD22 LEU 34 184.162 2.792 -2.156 296 3HD2 LEU 34 HD23 LEU 34 184.385 4.541 -2.105 297 H ILE 35 HN ILE 35 188.547 -0.728 -2.351 298 HA ILE 35 HA ILE 35 188.895 -1.886 -4.991 299 HB ILE 35 HB ILE 35 189.590 -3.201 -2.376 300 1HG1 ILE 35 HG12 ILE 35 190.554 -0.899 -2.481 301 2HG1 ILE 35 HG11 ILE 35 191.773 -2.169 -2.466 302 1HG2 ILE 35 HG21 ILE 35 191.222 -4.398 -3.689 303 2HG2 ILE 35 HG22 ILE 35 190.812 -3.450 -5.119 304 3HG2 ILE 35 HG23 ILE 35 189.631 -4.564 -4.433 305 1HD1 ILE 35 HD11 ILE 35 192.355 -0.419 -4.036 306 2HD1 ILE 35 HD12 ILE 35 190.826 -0.654 -4.886 307 3HD1 ILE 35 HD13 ILE 35 192.040 -1.934 -4.882 308 H ASN 36 HN ASN 36 187.637 -3.184 -1.915 309 HA ASN 36 HA ASN 36 185.744 -4.807 -3.480 310 1HB ASN 36 HB2 ASN 36 187.208 -6.233 -2.248 311 2HB ASN 36 HB1 ASN 36 187.029 -5.271 -0.788 312 1HD2 ASN 36 HD21 ASN 36 186.320 -6.910 0.497 313 2HD2 ASN 36 HD22 ASN 36 184.789 -7.686 0.297 314 HA PRO 37 HA PRO 37 183.032 -1.847 -1.249 315 1HB PRO 37 HB2 PRO 37 181.350 -1.346 -3.275 316 2HB PRO 37 HB1 PRO 37 182.934 -0.566 -3.176 317 1HG PRO 37 HG2 PRO 37 182.075 -2.906 -4.830 318 2HG PRO 37 HG1 PRO 37 183.101 -1.532 -5.281 319 1HD PRO 37 HD2 PRO 37 184.062 -4.006 -4.563 320 2HD PRO 37 HD1 PRO 37 184.979 -2.494 -4.398 321 H HIS 38 HN HIS 38 182.266 -3.548 0.087 322 HA HIS 38 HA HIS 38 180.320 -5.412 -0.972 323 1HB HIS 38 HB2 HIS 38 182.053 -5.331 1.283 324 2HB HIS 38 HB1 HIS 38 180.404 -5.469 1.885 325 HD1 HIS 38 HD1 HIS 38 183.021 -7.602 1.307 326 HD2 HIS 38 HD2 HIS 38 179.098 -7.610 -0.064 327 HE1 HIS 38 HE1 HIS 38 182.547 -9.980 0.641 328 HE2 HIS 38 HE2 HIS 38 180.194 -9.944 -0.262 329 H ILE 39 HN ILE 39 178.144 -5.507 -0.421 330 HA ILE 39 HA ILE 39 177.020 -3.320 1.153 331 HB ILE 39 HB ILE 39 176.338 -3.847 -1.736 332 1HG1 ILE 39 HG12 ILE 39 178.167 -2.225 -1.108 333 2HG1 ILE 39 HG11 ILE 39 176.856 -1.537 -2.058 334 1HG2 ILE 39 HG21 ILE 39 174.634 -2.756 0.427 335 2HG2 ILE 39 HG22 ILE 39 174.188 -3.629 -1.039 336 3HG2 ILE 39 HG23 ILE 39 174.603 -1.917 -1.123 337 1HD1 ILE 39 HD11 ILE 39 176.024 -0.332 -0.266 338 2HD1 ILE 39 HD12 ILE 39 177.771 -0.215 -0.056 339 3HD1 ILE 39 HD13 ILE 39 176.838 -1.347 0.922 340 H ILE 40 HN ILE 40 176.092 -4.524 2.692 341 HA ILE 40 HA ILE 40 174.329 -6.737 1.864 342 HB ILE 40 HB ILE 40 175.703 -6.286 4.519 343 1HG1 ILE 40 HG12 ILE 40 176.566 -8.690 3.690 344 2HG1 ILE 40 HG11 ILE 40 176.293 -7.938 2.123 345 1HG2 ILE 40 HG21 ILE 40 174.815 -8.711 4.854 346 2HG2 ILE 40 HG22 ILE 40 173.624 -8.242 3.642 347 3HG2 ILE 40 HG23 ILE 40 173.749 -7.337 5.150 348 1HD1 ILE 40 HD11 ILE 40 177.744 -6.057 2.848 349 2HD1 ILE 40 HD12 ILE 40 178.570 -7.611 2.737 350 3HD1 ILE 40 HD13 ILE 40 178.107 -6.969 4.313 351 H LEU 41 HN LEU 41 172.434 -5.608 1.542 352 HA LEU 41 HA LEU 41 171.406 -4.070 3.834 353 1HB LEU 41 HB2 LEU 41 171.580 -2.738 1.835 354 2HB LEU 41 HB1 LEU 41 170.712 -3.943 0.904 355 HG LEU 41 HG LEU 41 169.155 -3.007 3.174 356 1HD1 LEU 41 HD11 LEU 41 169.361 -0.903 1.114 357 2HD1 LEU 41 HD12 LEU 41 170.688 -1.004 2.272 358 3HD1 LEU 41 HD13 LEU 41 169.035 -0.776 2.843 359 1HD2 LEU 41 HD21 LEU 41 167.425 -3.168 1.698 360 2HD2 LEU 41 HD22 LEU 41 168.582 -4.239 0.907 361 3HD2 LEU 41 HD23 LEU 41 168.382 -2.580 0.339 362 H SER 42 HN SER 42 170.330 -5.520 5.066 363 HA SER 42 HA SER 42 168.307 -7.195 3.735 364 1HB SER 42 HB2 SER 42 169.656 -7.614 6.412 365 2HB SER 42 HB1 SER 42 168.437 -8.670 5.700 366 HG SER 42 HG SER 42 170.894 -9.037 5.408 367 H LYS 43 HN LYS 43 166.240 -7.378 4.672 368 HA LYS 43 HA LYS 43 165.367 -4.975 6.039 369 1HB LYS 43 HB2 LYS 43 164.135 -6.002 4.094 370 2HB LYS 43 HB1 LYS 43 163.697 -7.331 5.157 371 1HG LYS 43 HG2 LYS 43 163.066 -4.751 6.319 372 2HG LYS 43 HG1 LYS 43 162.275 -5.000 4.761 373 1HD LYS 43 HD2 LYS 43 160.721 -6.103 5.945 374 2HD LYS 43 HD1 LYS 43 161.899 -7.417 5.986 375 1HE LYS 43 HE2 LYS 43 162.586 -6.902 8.145 376 2HE LYS 43 HE1 LYS 43 161.958 -5.256 8.057 377 1HZ LYS 43 HZ1 LYS 43 160.262 -6.098 9.219 378 2HZ LYS 43 HZ2 LYS 43 160.619 -7.699 8.807 379 3HZ LYS 43 HZ3 LYS 43 159.731 -6.732 7.742 380 H GLU 44 HN GLU 44 165.460 -4.877 8.188 381 HA GLU 44 HA GLU 44 165.054 -7.355 9.720 382 1HB GLU 44 HB2 GLU 44 167.031 -5.341 9.890 383 2HB GLU 44 HB1 GLU 44 166.051 -5.210 11.341 384 1HG GLU 44 HG2 GLU 44 166.598 -7.960 10.869 385 2HG GLU 44 HG1 GLU 44 168.109 -7.057 10.768 386 HA PRO 45 HA PRO 45 161.132 -6.324 11.422 387 1HB PRO 45 HB2 PRO 45 162.174 -6.435 14.130 388 2HB PRO 45 HB1 PRO 45 161.075 -7.545 13.324 389 1HG PRO 45 HG2 PRO 45 163.944 -7.783 13.761 390 2HG PRO 45 HG1 PRO 45 162.790 -9.019 13.241 391 1HD PRO 45 HD2 PRO 45 164.718 -7.976 11.618 392 2HD PRO 45 HD1 PRO 45 163.173 -8.612 11.017 393 H GLN 46 HN GLN 46 163.805 -4.938 13.326 394 HA GLN 46 HA GLN 46 162.238 -2.492 13.656 395 1HB GLN 46 HB2 GLN 46 163.385 -3.894 15.549 396 2HB GLN 46 HB1 GLN 46 164.821 -2.994 15.067 397 1HG GLN 46 HG2 GLN 46 164.116 -1.492 16.558 398 2HG GLN 46 HG1 GLN 46 163.007 -0.992 15.283 399 1HE2 GLN 46 HE21 GLN 46 161.173 -3.012 15.311 400 2HE2 GLN 46 HE22 GLN 46 160.331 -3.019 16.818 401 H GLY 47 HN GLY 47 163.195 -2.637 11.115 402 1HA GLY 47 HA2 GLY 47 164.074 -0.632 10.016 403 2HA GLY 47 HA1 GLY 47 165.380 -0.650 11.182 404 H PHE 48 HN PHE 48 165.832 -0.447 8.488 405 HA PHE 48 HA PHE 48 166.469 -2.982 7.308 406 1HB PHE 48 HB2 PHE 48 166.742 -0.118 6.581 407 2HB PHE 48 HB1 PHE 48 167.916 -1.211 5.858 408 HD1 PHE 48 HD1 PHE 48 166.454 -3.590 5.247 409 HD2 PHE 48 HD2 PHE 48 165.183 0.464 5.020 410 HE1 PHE 48 HE1 PHE 48 164.816 -4.203 3.514 411 HE2 PHE 48 HE2 PHE 48 163.546 -0.141 3.288 412 HZ PHE 48 HZ PHE 48 163.360 -2.474 2.532 413 H VAL 49 HN VAL 49 168.539 -3.849 6.960 414 HA VAL 49 HA VAL 49 170.592 -2.887 8.844 415 HB VAL 49 HB VAL 49 170.324 -5.657 7.669 416 1HG1 VAL 49 HG11 VAL 49 171.859 -5.991 9.824 417 2HG1 VAL 49 HG12 VAL 49 172.305 -4.332 9.425 418 3HG1 VAL 49 HG13 VAL 49 172.521 -5.615 8.234 419 1HG2 VAL 49 HG21 VAL 49 168.760 -6.055 9.195 420 2HG2 VAL 49 HG22 VAL 49 168.910 -4.417 9.829 421 3HG2 VAL 49 HG23 VAL 49 169.940 -5.702 10.457 422 H ALA 50 HN ALA 50 171.648 -1.433 7.485 423 HA ALA 50 HA ALA 50 172.636 -2.398 4.913 424 1HB ALA 50 HB1 ALA 50 172.802 0.336 6.177 425 2HB ALA 50 HB2 ALA 50 171.647 -0.182 4.950 426 3HB ALA 50 HB3 ALA 50 173.363 -0.078 4.556 427 H ASP 51 HN ASP 51 174.270 -3.820 5.410 428 HA ASP 51 HA ASP 51 176.508 -2.781 7.010 429 1HB ASP 51 HB2 ASP 51 175.178 -5.216 7.162 430 2HB ASP 51 HB1 ASP 51 176.666 -5.606 6.304 431 H ALA 52 HN ALA 52 177.543 -1.586 5.422 432 HA ALA 52 HA ALA 52 178.436 -3.011 3.018 433 1HB ALA 52 HB1 ALA 52 177.351 -0.580 3.167 434 2HB ALA 52 HB2 ALA 52 178.538 -1.018 1.939 435 3HB ALA 52 HB3 ALA 52 179.044 -0.136 3.379 436 H THR 53 HN THR 53 180.613 -3.159 2.463 437 HA THR 53 HA THR 53 182.581 -2.267 4.440 438 HB THR 53 HB THR 53 183.508 -4.773 3.595 439 HG1 THR 53 HG1 THR 53 180.802 -4.941 4.421 440 1HG2 THR 53 HG21 THR 53 183.198 -3.451 5.980 441 2HG2 THR 53 HG22 THR 53 183.860 -5.072 5.762 442 3HG2 THR 53 HG23 THR 53 182.154 -4.862 6.157 443 H ILE 54 HN ILE 54 183.794 -0.916 3.275 444 HA ILE 54 HA ILE 54 184.527 -1.679 0.531 445 HB ILE 54 HB ILE 54 185.135 1.035 1.607 446 1HG1 ILE 54 HG12 ILE 54 182.395 0.233 0.599 447 2HG1 ILE 54 HG11 ILE 54 182.783 0.570 2.284 448 1HG2 ILE 54 HG21 ILE 54 185.396 1.574 -0.552 449 2HG2 ILE 54 HG22 ILE 54 183.954 0.692 -1.051 450 3HG2 ILE 54 HG23 ILE 54 185.475 -0.169 -0.808 451 1HD1 ILE 54 HD11 ILE 54 181.758 2.504 1.387 452 2HD1 ILE 54 HD12 ILE 54 182.814 2.488 -0.026 453 3HD1 ILE 54 HD13 ILE 54 183.475 2.864 1.565 454 H ASN 55 HN ASN 55 186.439 -2.639 0.356 455 HA ASN 55 HA ASN 55 188.444 -2.425 2.390 456 1HB ASN 55 HB2 ASN 55 187.875 -4.386 0.693 457 2HB ASN 55 HB1 ASN 55 189.086 -3.568 -0.289 458 1HD2 ASN 55 HD21 ASN 55 191.139 -3.031 0.915 459 2HD2 ASN 55 HD22 ASN 55 191.758 -4.250 1.970 460 H THR 56 HN THR 56 189.055 -0.279 2.489 461 HA THR 56 HA THR 56 190.064 1.072 0.135 462 HB THR 56 HB THR 56 188.827 2.337 1.834 463 HG1 THR 56 HG1 THR 56 190.095 4.031 1.659 464 1HG2 THR 56 HG21 THR 56 189.287 2.437 4.023 465 2HG2 THR 56 HG22 THR 56 191.031 2.361 3.770 466 3HG2 THR 56 HG23 THR 56 190.068 0.884 3.726 467 HA PRO 57 HA PRO 57 194.328 -0.050 0.251 468 1HB PRO 57 HB2 PRO 57 195.410 2.560 0.291 469 2HB PRO 57 HB1 PRO 57 195.101 1.566 -1.133 470 1HG PRO 57 HG2 PRO 57 193.449 3.736 0.059 471 2HG PRO 57 HG1 PRO 57 193.650 3.277 -1.641 472 1HD PRO 57 HD2 PRO 57 191.419 2.667 -0.310 473 2HD PRO 57 HD1 PRO 57 192.125 1.526 -1.475 474 H ASN 58 HN ASN 58 193.038 2.261 2.537 475 HA ASN 58 HA ASN 58 195.289 1.862 4.355 476 1HB ASN 58 HB2 ASN 58 193.882 4.099 3.799 477 2HB ASN 58 HB1 ASN 58 192.982 3.516 5.195 478 1HD2 ASN 58 HD21 ASN 58 194.736 2.543 6.874 479 2HD2 ASN 58 HD22 ASN 58 195.926 3.710 7.327 480 H GLY 59 HN GLY 59 193.060 -0.151 3.683 481 1HA GLY 59 HA2 GLY 59 192.827 -1.897 5.490 482 2HA GLY 59 HA1 GLY 59 192.144 -0.597 6.456 483 H VAL 60 HN VAL 60 190.030 -0.866 6.663 484 HA VAL 60 HA VAL 60 188.398 -1.227 4.281 485 HB VAL 60 HB VAL 60 188.053 -3.076 6.643 486 1HG1 VAL 60 HG11 VAL 60 186.199 -3.878 5.643 487 2HG1 VAL 60 HG12 VAL 60 186.862 -3.686 4.019 488 3HG1 VAL 60 HG13 VAL 60 186.182 -2.296 4.864 489 1HG2 VAL 60 HG21 VAL 60 189.304 -3.605 3.950 490 2HG2 VAL 60 HG22 VAL 60 188.848 -4.856 5.108 491 3HG2 VAL 60 HG23 VAL 60 190.097 -3.682 5.524 492 H LEU 61 HN LEU 61 186.494 -0.166 4.405 493 HA LEU 61 HA LEU 61 185.848 1.105 6.981 494 1HB LEU 61 HB2 LEU 61 184.761 2.058 4.363 495 2HB LEU 61 HB1 LEU 61 185.020 2.953 5.845 496 HG LEU 61 HG LEU 61 187.553 2.036 4.886 497 1HD1 LEU 61 HD11 LEU 61 187.515 3.501 2.791 498 2HD1 LEU 61 HD12 LEU 61 185.763 3.300 2.840 499 3HD1 LEU 61 HD13 LEU 61 186.809 1.889 2.679 500 1HD2 LEU 61 HD21 LEU 61 188.172 4.105 5.497 501 2HD2 LEU 61 HD22 LEU 61 186.556 4.190 6.198 502 3HD2 LEU 61 HD23 LEU 61 186.861 4.873 4.601 503 H VAL 62 HN VAL 62 184.162 0.285 8.009 504 HA VAL 62 HA VAL 62 182.186 -1.278 6.545 505 HB VAL 62 HB VAL 62 182.554 -0.884 9.518 506 1HG1 VAL 62 HG11 VAL 62 180.512 -1.726 9.772 507 2HG1 VAL 62 HG12 VAL 62 181.057 -3.205 8.980 508 3HG1 VAL 62 HG13 VAL 62 180.330 -1.911 8.028 509 1HG2 VAL 62 HG21 VAL 62 183.058 -3.393 7.954 510 2HG2 VAL 62 HG22 VAL 62 183.608 -2.973 9.576 511 3HG2 VAL 62 HG23 VAL 62 184.308 -2.170 8.171 512 H ALA 63 HN ALA 63 180.595 -0.126 5.662 513 HA ALA 63 HA ALA 63 179.612 2.289 6.944 514 1HB ALA 63 HB1 ALA 63 178.116 1.498 4.612 515 2HB ALA 63 HB2 ALA 63 179.850 1.436 4.295 516 3HB ALA 63 HB3 ALA 63 179.113 2.929 4.875 517 H SER 64 HN SER 64 178.651 1.355 8.808 518 HA SER 64 HA SER 64 176.367 -0.414 8.379 519 1HB SER 64 HB2 SER 64 177.027 0.493 11.120 520 2HB SER 64 HB1 SER 64 176.637 -1.122 10.527 521 HG SER 64 HG SER 64 179.097 0.188 10.662 522 H GLY 65 HN GLY 65 174.341 0.282 8.355 523 1HA GLY 65 HA2 GLY 65 173.563 2.653 9.849 524 2HA GLY 65 HA1 GLY 65 173.419 2.776 8.102 525 H LYS 66 HN LYS 66 171.817 1.966 10.904 526 HA LYS 66 HA LYS 66 169.940 0.214 9.479 527 1HB LYS 66 HB2 LYS 66 169.230 -0.647 11.589 528 2HB LYS 66 HB1 LYS 66 170.986 -0.654 11.588 529 1HG LYS 66 HG2 LYS 66 169.733 1.764 12.707 530 2HG LYS 66 HG1 LYS 66 169.475 0.273 13.614 531 1HD LYS 66 HD2 LYS 66 171.870 -0.099 13.732 532 2HD LYS 66 HD1 LYS 66 172.164 1.334 12.745 533 1HE LYS 66 HE2 LYS 66 170.620 1.552 15.298 534 2HE LYS 66 HE1 LYS 66 172.381 1.482 15.333 535 1HZ LYS 66 HZ1 LYS 66 171.031 3.744 15.107 536 2HZ LYS 66 HZ2 LYS 66 171.196 3.373 13.465 537 3HZ LYS 66 HZ3 LYS 66 172.571 3.529 14.438 538 H HIS 67 HN HIS 67 167.736 0.648 9.457 539 HA HIS 67 HA HIS 67 166.420 2.626 10.909 540 1HB HIS 67 HB2 HIS 67 168.136 3.802 9.053 541 2HB HIS 67 HB1 HIS 67 166.545 3.904 8.305 542 HD1 HIS 67 HD1 HIS 67 168.318 4.895 11.501 543 HD2 HIS 67 HD2 HIS 67 164.943 5.886 9.290 544 HE1 HIS 67 HE1 HIS 67 167.360 6.938 12.614 545 HE2 HIS 67 HE2 HIS 67 165.370 7.569 11.206 546 H GLU 68 HN GLU 68 164.239 2.758 10.431 547 HA GLU 68 HA GLU 68 163.063 0.604 9.111 548 1HB GLU 68 HB2 GLU 68 161.948 1.958 10.857 549 2HB GLU 68 HB1 GLU 68 161.814 3.288 9.714 550 1HG GLU 68 HG2 GLU 68 160.098 2.342 8.598 551 2HG GLU 68 HG1 GLU 68 160.698 0.703 8.840 552 H ASP 69 HN ASP 69 163.561 3.937 8.018 553 HA ASP 69 HA ASP 69 162.363 3.427 5.452 554 1HB ASP 69 HB2 ASP 69 163.892 5.777 6.572 555 2HB ASP 69 HB1 ASP 69 163.277 5.730 4.923 556 H MET 70 HN MET 70 163.378 3.117 3.507 557 HA MET 70 HA MET 70 165.896 1.826 3.560 558 1HB MET 70 HB2 MET 70 164.213 1.203 1.933 559 2HB MET 70 HB1 MET 70 164.233 2.818 1.241 560 1HG MET 70 HG2 MET 70 165.446 1.176 -0.118 561 2HG MET 70 HG1 MET 70 166.473 2.498 0.432 562 1HE MET 70 HE1 MET 70 166.271 -1.659 2.261 563 2HE MET 70 HE2 MET 70 166.379 -1.631 0.502 564 3HE MET 70 HE3 MET 70 165.044 -0.815 1.317 565 H TYR 71 HN TYR 71 164.973 4.791 1.783 566 HA TYR 71 HA TYR 71 167.560 5.563 1.114 567 1HB TYR 71 HB2 TYR 71 164.965 7.027 1.371 568 2HB TYR 71 HB1 TYR 71 166.443 7.942 1.096 569 HD1 TYR 71 HD1 TYR 71 164.839 8.519 -0.960 570 HD2 TYR 71 HD2 TYR 71 166.861 4.811 -0.426 571 HE1 TYR 71 HE1 TYR 71 164.666 8.077 -3.373 572 HE2 TYR 71 HE2 TYR 71 166.697 4.362 -2.827 573 HH TYR 71 HH TYR 71 164.868 5.314 -4.758 574 H THR 72 HN THR 72 165.713 6.239 4.047 575 HA THR 72 HA THR 72 167.555 8.109 5.122 576 HB THR 72 HB THR 72 165.788 6.285 6.746 577 HG1 THR 72 HG1 THR 72 164.518 7.242 5.126 578 1HG2 THR 72 HG21 THR 72 167.279 8.733 7.289 579 2HG2 THR 72 HG22 THR 72 166.667 7.499 8.392 580 3HG2 THR 72 HG23 THR 72 165.596 8.774 7.814 581 H ALA 73 HN ALA 73 167.264 4.613 5.246 582 HA ALA 73 HA ALA 73 169.209 4.100 7.209 583 1HB ALA 73 HB1 ALA 73 167.738 2.338 6.589 584 2HB ALA 73 HB2 ALA 73 169.357 1.841 6.096 585 3HB ALA 73 HB3 ALA 73 168.216 2.447 4.896 586 H ILE 74 HN ILE 74 169.415 4.665 3.753 587 HA ILE 74 HA ILE 74 172.173 3.982 3.502 588 HB ILE 74 HB ILE 74 171.292 6.002 1.581 589 1HG1 ILE 74 HG12 ILE 74 169.082 4.914 2.113 590 2HG1 ILE 74 HG11 ILE 74 169.595 4.759 0.440 591 1HG2 ILE 74 HG21 ILE 74 171.952 4.129 0.007 592 2HG2 ILE 74 HG22 ILE 74 172.397 3.217 1.449 593 3HG2 ILE 74 HG23 ILE 74 173.203 4.742 1.086 594 1HD1 ILE 74 HD11 ILE 74 170.525 2.471 1.183 595 2HD1 ILE 74 HD12 ILE 74 168.789 2.662 0.935 596 3HD1 ILE 74 HD13 ILE 74 169.454 2.675 2.570 597 H ASN 75 HN ASN 75 170.407 6.993 4.053 598 HA ASN 75 HA ASN 75 172.598 8.743 3.889 599 1HB ASN 75 HB2 ASN 75 170.303 9.179 5.787 600 2HB ASN 75 HB1 ASN 75 171.218 10.375 4.879 601 1HD2 ASN 75 HD21 ASN 75 171.043 8.640 2.429 602 2HD2 ASN 75 HD22 ASN 75 169.443 8.897 1.835 603 H GLU 76 HN GLU 76 171.292 6.831 6.543 604 HA GLU 76 HA GLU 76 172.868 7.898 8.607 605 1HB GLU 76 HB2 GLU 76 170.901 6.487 9.004 606 2HB GLU 76 HB1 GLU 76 171.747 5.107 8.317 607 1HG GLU 76 HG2 GLU 76 171.705 5.090 10.775 608 2HG GLU 76 HG1 GLU 76 173.340 5.122 10.114 609 H LEU 77 HN LEU 77 173.437 5.194 6.388 610 HA LEU 77 HA LEU 77 175.872 4.381 7.583 611 1HB LEU 77 HB2 LEU 77 176.001 2.778 5.955 612 2HB LEU 77 HB1 LEU 77 174.281 3.106 5.981 613 HG LEU 77 HG LEU 77 174.912 4.789 4.041 614 1HD1 LEU 77 HD11 LEU 77 176.868 2.732 3.272 615 2HD1 LEU 77 HD12 LEU 77 177.394 3.884 4.500 616 3HD1 LEU 77 HD13 LEU 77 176.838 4.462 2.930 617 1HD2 LEU 77 HD21 LEU 77 174.913 1.895 3.307 618 2HD2 LEU 77 HD22 LEU 77 174.064 3.243 2.551 619 3HD2 LEU 77 HD23 LEU 77 173.503 2.602 4.095 620 H ILE 78 HN ILE 78 175.143 6.819 5.167 621 HA ILE 78 HA ILE 78 177.803 6.995 4.163 622 HB ILE 78 HB ILE 78 177.139 8.740 2.835 623 1HG1 ILE 78 HG12 ILE 78 175.130 9.526 4.953 624 2HG1 ILE 78 HG11 ILE 78 176.614 10.373 4.547 625 1HG2 ILE 78 HG21 ILE 78 175.420 6.645 3.030 626 2HG2 ILE 78 HG22 ILE 78 175.373 7.879 1.772 627 3HG2 ILE 78 HG23 ILE 78 174.327 8.019 3.184 628 1HD1 ILE 78 HD11 ILE 78 175.077 11.655 3.458 629 2HD1 ILE 78 HD12 ILE 78 174.023 10.287 3.101 630 3HD1 ILE 78 HD13 ILE 78 175.508 10.520 2.178 631 H ASN 79 HN ASN 79 176.019 8.857 6.626 632 HA ASN 79 HA ASN 79 178.116 10.675 7.152 633 1HB ASN 79 HB2 ASN 79 176.936 10.991 9.378 634 2HB ASN 79 HB1 ASN 79 175.961 11.276 7.941 635 1HD2 ASN 79 HD21 ASN 79 176.692 8.938 10.462 636 2HD2 ASN 79 HD22 ASN 79 175.168 8.128 10.405 637 H LYS 80 HN LYS 80 177.245 7.579 8.671 638 HA LYS 80 HA LYS 80 179.212 7.608 10.672 639 1HB LYS 80 HB2 LYS 80 177.194 5.904 9.982 640 2HB LYS 80 HB1 LYS 80 178.608 4.966 9.518 641 1HG LYS 80 HG2 LYS 80 179.500 5.468 11.852 642 2HG LYS 80 HG1 LYS 80 177.861 5.999 12.232 643 1HD LYS 80 HD2 LYS 80 176.986 3.879 12.046 644 2HD LYS 80 HD1 LYS 80 178.256 3.337 10.946 645 1HE LYS 80 HE2 LYS 80 179.850 3.526 12.898 646 2HE LYS 80 HE1 LYS 80 178.432 3.745 13.923 647 1HZ LYS 80 HZ1 LYS 80 179.105 1.371 12.277 648 2HZ LYS 80 HZ2 LYS 80 177.611 1.585 13.040 649 3HZ LYS 80 HZ3 LYS 80 179.022 1.459 13.965 650 H LEU 81 HN LEU 81 179.302 6.430 7.339 651 HA LEU 81 HA LEU 81 181.872 5.282 7.434 652 1HB LEU 81 HB2 LEU 81 179.854 5.719 5.493 653 2HB LEU 81 HB1 LEU 81 181.342 6.375 4.837 654 HG LEU 81 HG LEU 81 180.860 3.541 5.750 655 1HD1 LEU 81 HD11 LEU 81 180.940 2.932 3.523 656 2HD1 LEU 81 HD12 LEU 81 181.775 4.409 3.040 657 3HD1 LEU 81 HD13 LEU 81 180.062 4.460 3.460 658 1HD2 LEU 81 HD21 LEU 81 183.261 4.930 5.912 659 2HD2 LEU 81 HD22 LEU 81 183.373 4.030 4.400 660 3HD2 LEU 81 HD23 LEU 81 183.049 3.179 5.909 661 H GLU 82 HN GLU 82 180.764 8.546 6.599 662 HA GLU 82 HA GLU 82 183.116 9.660 5.678 663 1HB GLU 82 HB2 GLU 82 181.035 10.891 5.616 664 2HB GLU 82 HB1 GLU 82 180.948 10.914 7.370 665 1HG GLU 82 HG2 GLU 82 182.711 12.450 7.548 666 2HG GLU 82 HG1 GLU 82 183.208 12.195 5.877 667 H ARG 83 HN ARG 83 181.958 9.591 9.045 668 HA ARG 83 HA ARG 83 184.119 10.809 10.276 669 1HB ARG 83 HB2 ARG 83 182.199 10.396 11.585 670 2HB ARG 83 HB1 ARG 83 182.183 8.688 11.180 671 1HG ARG 83 HG2 ARG 83 184.592 8.984 12.480 672 2HG ARG 83 HG1 ARG 83 183.526 10.089 13.348 673 1HD ARG 83 HD2 ARG 83 182.192 8.415 14.120 674 2HD ARG 83 HD1 ARG 83 182.458 7.402 12.705 675 HE ARG 83 HE ARG 83 184.339 6.504 13.714 676 1HH1 ARG 83 HH11 ARG 83 183.072 9.123 15.646 677 2HH1 ARG 83 HH12 ARG 83 184.009 8.708 17.041 678 1HH2 ARG 83 HH21 ARG 83 185.569 5.963 15.547 679 2HH2 ARG 83 HH22 ARG 83 185.425 6.918 16.985 680 H GLN 84 HN GLN 84 183.607 7.315 9.797 681 HA GLN 84 HA GLN 84 186.106 6.487 10.765 682 1HB GLN 84 HB2 GLN 84 183.964 5.121 10.199 683 2HB GLN 84 HB1 GLN 84 184.655 5.016 8.585 684 1HG GLN 84 HG2 GLN 84 186.531 3.817 9.357 685 2HG GLN 84 HG1 GLN 84 186.165 4.185 11.043 686 1HE2 GLN 84 HE21 GLN 84 183.927 3.133 8.536 687 2HE2 GLN 84 HE22 GLN 84 183.500 1.638 9.287 688 H LEU 85 HN LEU 85 185.072 7.610 7.613 689 HA LEU 85 HA LEU 85 187.223 6.759 6.060 690 1HB LEU 85 HB2 LEU 85 185.056 8.673 5.828 691 2HB LEU 85 HB1 LEU 85 186.512 9.258 5.047 692 HG LEU 85 HG LEU 85 186.609 7.126 3.751 693 1HD1 LEU 85 HD11 LEU 85 183.775 6.619 4.529 694 2HD1 LEU 85 HD12 LEU 85 185.079 5.993 5.536 695 3HD1 LEU 85 HD13 LEU 85 184.969 5.519 3.841 696 1HD2 LEU 85 HD21 LEU 85 184.827 9.342 3.445 697 2HD2 LEU 85 HD22 LEU 85 184.063 7.887 2.803 698 3HD2 LEU 85 HD23 LEU 85 185.643 8.390 2.205 699 H ASN 86 HN ASN 86 186.780 9.956 7.588 700 HA ASN 86 HA ASN 86 189.252 11.032 6.950 701 1HB ASN 86 HB2 ASN 86 187.628 11.505 9.459 702 2HB ASN 86 HB1 ASN 86 188.920 12.547 8.868 703 1HD2 ASN 86 HD21 ASN 86 185.637 11.585 8.526 704 2HD2 ASN 86 HD22 ASN 86 185.191 12.756 7.336 705 H LYS 87 HN LYS 87 188.348 9.387 9.986 706 HA LYS 87 HA LYS 87 190.809 9.438 11.238 707 1HB LYS 87 HB2 LYS 87 188.569 8.588 12.129 708 2HB LYS 87 HB1 LYS 87 188.972 7.055 11.369 709 1HG LYS 87 HG2 LYS 87 190.741 8.415 13.383 710 2HG LYS 87 HG1 LYS 87 189.510 7.224 13.808 711 1HD LYS 87 HD2 LYS 87 190.879 5.968 11.789 712 2HD LYS 87 HD1 LYS 87 192.158 6.854 12.622 713 1HE LYS 87 HE2 LYS 87 190.225 5.391 14.318 714 2HE LYS 87 HE1 LYS 87 191.341 4.414 13.365 715 1HZ LYS 87 HZ1 LYS 87 191.912 5.412 15.772 716 2HZ LYS 87 HZ2 LYS 87 192.540 6.636 14.789 717 3HZ LYS 87 HZ3 LYS 87 193.084 5.045 14.609 718 H LEU 88 HN LEU 88 189.548 6.897 9.087 719 HA LEU 88 HA LEU 88 191.987 5.410 9.114 720 1HB LEU 88 HB2 LEU 88 189.334 5.043 8.175 721 2HB LEU 88 HB1 LEU 88 190.408 4.792 6.814 722 HG LEU 88 HG LEU 88 190.487 3.328 9.452 723 1HD1 LEU 88 HD11 LEU 88 188.692 2.516 8.137 724 2HD1 LEU 88 HD12 LEU 88 190.018 1.371 7.943 725 3HD1 LEU 88 HD13 LEU 88 189.667 2.537 6.668 726 1HD2 LEU 88 HD21 LEU 88 192.244 1.959 8.350 727 2HD2 LEU 88 HD22 LEU 88 192.741 3.619 8.678 728 3HD2 LEU 88 HD23 LEU 88 192.286 3.141 7.042 729 H GLN 89 HN GLN 89 191.099 8.253 7.559 730 HA GLN 89 HA GLN 89 192.619 7.817 5.140 731 1HB GLN 89 HB2 GLN 89 190.714 9.756 6.096 732 2HB GLN 89 HB1 GLN 89 192.135 10.574 5.464 733 1HG GLN 89 HG2 GLN 89 191.813 8.929 3.456 734 2HG GLN 89 HG1 GLN 89 190.159 8.847 4.063 735 1HE2 GLN 89 HE21 GLN 89 190.171 9.767 1.692 736 2HE2 GLN 89 HE22 GLN 89 190.061 11.490 1.604 737 H HIS 90 HN HIS 90 193.143 9.143 8.306 738 HA HIS 90 HA HIS 90 195.431 10.706 7.707 739 1HB HIS 90 HB2 HIS 90 194.195 11.090 9.748 740 2HB HIS 90 HB1 HIS 90 194.505 9.446 10.294 741 HD1 HIS 90 HD1 HIS 90 197.465 10.974 8.810 742 HD2 HIS 90 HD2 HIS 90 195.689 10.846 12.564 743 HE1 HIS 90 HE1 HIS 90 199.248 11.710 10.423 744 HE2 HIS 90 HE2 HIS 90 198.180 11.528 12.697 745 H LYS 91 HN LYS 91 196.255 8.859 6.229 746 HA LYS 91 HA LYS 91 198.670 7.926 7.192 747 1HB LYS 91 HB2 LYS 91 196.703 6.380 8.311 748 2HB LYS 91 HB1 LYS 91 197.121 5.444 6.884 749 1HG LYS 91 HG2 LYS 91 198.857 4.616 7.969 750 2HG LYS 91 HG1 LYS 91 199.553 6.235 8.047 751 1HD LYS 91 HD2 LYS 91 197.466 5.795 10.035 752 2HD LYS 91 HD1 LYS 91 198.821 4.678 10.201 753 1HE LYS 91 HE2 LYS 91 200.296 6.780 9.988 754 2HE LYS 91 HE1 LYS 91 198.817 7.674 10.339 755 1HZ LYS 91 HZ1 LYS 91 198.607 6.313 12.383 756 2HZ LYS 91 HZ2 LYS 91 199.979 7.302 12.371 757 3HZ LYS 91 HZ3 LYS 91 200.128 5.645 12.064 758 H GLY 92 HN GLY 92 198.268 9.125 4.942 759 1HA GLY 92 HA2 GLY 92 197.913 7.145 2.807 760 2HA GLY 92 HA1 GLY 92 197.946 8.890 2.601 761 H GLU 93 HN GLU 93 199.817 5.986 2.794 762 HA GLU 93 HA GLU 93 201.959 7.070 1.326 763 1HB GLU 93 HB2 GLU 93 202.447 8.194 3.473 764 2HB GLU 93 HB1 GLU 93 202.548 6.624 4.257 765 1HG GLU 93 HG2 GLU 93 204.760 7.141 3.882 766 2HG GLU 93 HG1 GLU 93 204.369 6.125 2.494 767 H ALA 94 HN ALA 94 201.470 5.158 0.179 768 HA ALA 94 HA ALA 94 202.849 2.812 1.239 769 1HB ALA 94 HB1 ALA 94 200.989 1.668 1.635 770 2HB ALA 94 HB2 ALA 94 200.581 1.783 -0.078 771 3HB ALA 94 HB3 ALA 94 200.000 3.007 1.052 772 H ARG 95 HN ARG 95 200.739 3.459 -1.557 773 HA ARG 95 HA ARG 95 202.787 3.771 -3.445 774 1HB ARG 95 HB2 ARG 95 202.540 1.558 -4.615 775 2HB ARG 95 HB1 ARG 95 203.402 1.496 -3.084 776 1HG ARG 95 HG2 ARG 95 201.970 0.014 -2.277 777 2HG ARG 95 HG1 ARG 95 200.603 1.070 -2.638 778 1HD ARG 95 HD2 ARG 95 201.117 0.186 -5.107 779 2HD ARG 95 HD1 ARG 95 201.729 -1.190 -4.188 780 HE ARG 95 HE ARG 95 198.984 -0.406 -4.518 781 1HH1 ARG 95 HH11 ARG 95 201.241 -2.128 -2.487 782 2HH1 ARG 95 HH12 ARG 95 200.026 -3.146 -1.789 783 1HH2 ARG 95 HH21 ARG 95 197.387 -1.745 -3.599 784 2HH2 ARG 95 HH22 ARG 95 197.839 -2.930 -2.420 785 H ARG 96 HN ARG 96 201.905 4.701 -5.178 786 HA ARG 96 HA ARG 96 199.178 5.241 -5.375 787 1HB ARG 96 HB2 ARG 96 199.780 5.831 -7.814 788 2HB ARG 96 HB1 ARG 96 200.561 6.731 -6.523 789 1HG ARG 96 HG2 ARG 96 202.597 5.593 -6.814 790 2HG ARG 96 HG1 ARG 96 201.844 4.338 -7.799 791 1HD ARG 96 HD2 ARG 96 203.133 5.888 -9.175 792 2HD ARG 96 HD1 ARG 96 201.415 5.967 -9.563 793 HE ARG 96 HE ARG 96 201.374 8.136 -8.819 794 1HH1 ARG 96 HH11 ARG 96 204.347 6.631 -7.782 795 2HH1 ARG 96 HH12 ARG 96 205.050 8.113 -7.229 796 1HH2 ARG 96 HH21 ARG 96 202.298 10.086 -8.092 797 2HH2 ARG 96 HH22 ARG 96 203.887 10.076 -7.403 798 H ALA 97 HN ALA 97 197.590 4.537 -6.885 799 HA ALA 97 HA ALA 97 197.257 1.795 -7.079 800 1HB ALA 97 HB1 ALA 97 195.499 2.348 -8.796 801 2HB ALA 97 HB2 ALA 97 196.011 4.030 -8.661 802 3HB ALA 97 HB3 ALA 97 195.352 3.194 -7.255 803 H ALA 98 HN ALA 98 198.239 0.307 -8.265 804 HA ALA 98 HA ALA 98 199.543 1.129 -10.771 805 1HB ALA 98 HB1 ALA 98 201.212 -0.391 -10.396 806 2HB ALA 98 HB2 ALA 98 200.172 -1.470 -9.465 807 3HB ALA 98 HB3 ALA 98 200.784 0.012 -8.732 808 H THR 99 HN THR 99 196.703 0.472 -10.489 809 HA THR 99 HA THR 99 196.410 -2.130 -11.740 810 HB THR 99 HB THR 99 194.175 -0.157 -11.409 811 HG1 THR 99 HG1 THR 99 193.963 -0.774 -9.277 812 1HG2 THR 99 HG21 THR 99 194.236 -3.131 -10.977 813 2HG2 THR 99 HG22 THR 99 193.744 -2.349 -12.479 814 3HG2 THR 99 HG23 THR 99 192.820 -2.079 -11.002 815 H SER 100 HN SER 100 196.977 -2.227 -13.822 816 HA SER 100 HA SER 100 196.988 -0.095 -15.634 817 1HB SER 100 HB2 SER 100 198.314 -2.080 -16.048 818 2HB SER 100 HB1 SER 100 196.861 -3.076 -16.140 819 HG SER 100 HG SER 100 197.979 -1.396 -18.022 820 H VAL 101 HN VAL 101 195.303 1.010 -16.366 821 HA VAL 101 HA VAL 101 192.645 -0.097 -16.334 822 HB VAL 101 HB VAL 101 193.549 2.557 -17.462 823 1HG1 VAL 101 HG11 VAL 101 191.198 1.422 -17.935 824 2HG1 VAL 101 HG12 VAL 101 191.362 3.156 -17.657 825 3HG1 VAL 101 HG13 VAL 101 190.840 2.099 -16.347 826 1HG2 VAL 101 HG21 VAL 101 192.915 3.517 -15.320 827 2HG2 VAL 101 HG22 VAL 101 194.187 2.314 -15.107 828 3HG2 VAL 101 HG23 VAL 101 192.518 1.914 -14.702 829 H LYS 102 HN LYS 102 194.169 1.701 -19.002 830 HA LYS 102 HA LYS 102 192.829 -0.069 -20.888 831 1HB LYS 102 HB2 LYS 102 194.161 2.611 -21.107 832 2HB LYS 102 HB1 LYS 102 193.865 1.652 -22.551 833 1HG LYS 102 HG2 LYS 102 191.639 2.192 -20.635 834 2HG LYS 102 HG1 LYS 102 192.130 3.421 -21.802 835 1HD LYS 102 HD2 LYS 102 191.487 0.597 -22.612 836 2HD LYS 102 HD1 LYS 102 190.250 1.850 -22.500 837 1HE LYS 102 HE2 LYS 102 192.749 2.145 -24.150 838 2HE LYS 102 HE1 LYS 102 191.246 1.481 -24.790 839 1HZ LYS 102 HZ1 LYS 102 190.226 3.494 -24.739 840 2HZ LYS 102 HZ2 LYS 102 191.814 4.028 -24.964 841 3HZ LYS 102 HZ3 LYS 102 191.122 4.062 -23.420 842 H ASP 103 HN ASP 103 195.941 1.517 -21.421 843 HA ASP 103 HA ASP 103 197.851 0.708 -22.390 844 1HB ASP 103 HB2 ASP 103 198.145 0.240 -19.964 845 2HB ASP 103 HB1 ASP 103 197.514 -1.382 -20.229 846 H ALA 104 HN ALA 104 196.502 0.084 -24.309 847 HA ALA 104 HA ALA 104 195.713 -2.603 -24.718 848 1HB ALA 104 HB1 ALA 104 194.833 -0.682 -26.004 849 2HB ALA 104 HB2 ALA 104 195.416 -1.993 -27.030 850 3HB ALA 104 HB3 ALA 104 196.396 -0.544 -26.811 851 H ASN 105 HN ASN 105 197.173 -4.197 -24.529 852 HA ASN 105 HA ASN 105 199.912 -4.006 -25.083 853 1HB ASN 105 HB2 ASN 105 198.499 -5.827 -23.798 854 2HB ASN 105 HB1 ASN 105 198.499 -6.628 -25.367 855 1HD2 ASN 105 HD21 ASN 105 200.318 -7.609 -26.082 856 2HD2 ASN 105 HD22 ASN 105 201.780 -7.720 -25.167 857 H PHE 106 HN PHE 106 197.194 -4.590 -27.158 858 HA PHE 106 HA PHE 106 198.516 -5.824 -29.314 859 1HB PHE 106 HB2 PHE 106 195.990 -4.213 -29.074 860 2HB PHE 106 HB1 PHE 106 196.572 -4.736 -30.650 861 HD1 PHE 106 HD1 PHE 106 196.497 -6.448 -27.338 862 HD2 PHE 106 HD2 PHE 106 195.204 -6.427 -31.393 863 HE1 PHE 106 HE1 PHE 106 195.421 -8.635 -27.003 864 HE2 PHE 106 HE2 PHE 106 194.126 -8.615 -31.065 865 HZ PHE 106 HZ PHE 106 194.234 -9.720 -28.866 866 H VAL 107 HN VAL 107 200.139 -5.032 -30.465 867 HA VAL 107 HA VAL 107 200.543 -2.151 -30.634 868 HB VAL 107 HB VAL 107 202.333 -4.251 -31.838 869 1HG1 VAL 107 HG11 VAL 107 202.785 -1.430 -30.881 870 2HG1 VAL 107 HG12 VAL 107 202.798 -2.002 -32.549 871 3HG1 VAL 107 HG13 VAL 107 204.060 -2.517 -31.428 872 1HG2 VAL 107 HG21 VAL 107 202.169 -4.964 -29.594 873 2HG2 VAL 107 HG22 VAL 107 202.199 -3.308 -28.985 874 3HG2 VAL 107 HG23 VAL 107 203.654 -4.017 -29.685 875 H GLU 108 HN GLU 108 198.658 -1.828 -32.023 876 HA GLU 108 HA GLU 108 197.801 -1.244 -34.031 877 1HB GLU 108 HB2 GLU 108 200.585 -1.452 -34.555 878 2HB GLU 108 HB1 GLU 108 199.740 -2.198 -35.898 879 1HG GLU 108 HG2 GLU 108 200.219 0.207 -36.219 880 2HG GLU 108 HG1 GLU 108 198.508 -0.201 -36.324 881 H GLU 109 HN GLU 109 197.160 -2.223 -36.151 882 HA GLU 109 HA GLU 109 196.345 -4.968 -35.654 883 1HB GLU 109 HB2 GLU 109 195.461 -3.330 -38.006 884 2HB GLU 109 HB1 GLU 109 194.614 -4.646 -37.205 885 1HG GLU 109 HG2 GLU 109 194.114 -3.270 -35.320 886 2HG GLU 109 HG1 GLU 109 195.141 -1.973 -35.931 887 H VAL 110 HN VAL 110 198.462 -3.187 -37.656 888 HA VAL 110 HA VAL 110 199.856 -3.731 -39.384 889 HB VAL 110 HB VAL 110 199.862 -6.482 -38.148 890 1HG1 VAL 110 HG11 VAL 110 201.698 -6.909 -39.367 891 2HG1 VAL 110 HG12 VAL 110 202.345 -5.284 -39.145 892 3HG1 VAL 110 HG13 VAL 110 201.127 -5.586 -40.385 893 1HG2 VAL 110 HG21 VAL 110 200.145 -4.642 -36.465 894 2HG2 VAL 110 HG22 VAL 110 201.594 -4.154 -37.342 895 3HG2 VAL 110 HG23 VAL 110 201.512 -5.750 -36.594 896 H GLU 111 HN GLU 111 198.723 -3.638 -41.260 897 HA GLU 111 HA GLU 111 196.860 -5.643 -42.056 898 1HB GLU 111 HB2 GLU 111 198.060 -3.253 -43.397 899 2HB GLU 111 HB1 GLU 111 197.098 -4.402 -44.317 900 1HG GLU 111 HG2 GLU 111 195.214 -4.023 -42.795 901 2HG GLU 111 HG1 GLU 111 196.179 -2.843 -41.913 902 H GLU 112 HN GLU 112 199.473 -4.589 -44.094 903 HA GLU 112 HA GLU 112 200.309 -7.389 -44.438 904 1HB GLU 112 HB2 GLU 112 199.342 -5.478 -46.419 905 2HB GLU 112 HB1 GLU 112 200.911 -6.147 -46.846 906 1HG GLU 112 HG2 GLU 112 198.408 -7.702 -46.241 907 2HG GLU 112 HG1 GLU 112 199.141 -7.459 -47.826 908 H GLU 113 HN GLU 113 201.507 -5.647 -42.622 909 HA GLU 113 HA GLU 113 203.806 -4.382 -43.753 910 1HB GLU 113 HB2 GLU 113 202.534 -4.123 -41.391 911 2HB GLU 113 HB1 GLU 113 203.849 -5.181 -40.900 912 1HG GLU 113 HG2 GLU 113 204.415 -2.850 -40.542 913 2HG GLU 113 HG1 GLU 113 205.473 -3.583 -41.746 Start of MODEL 25 1 1H MET 1 HT1 MET 1 185.931 -0.041 -6.929 2 2H MET 1 HT2 MET 1 185.813 -1.628 -6.287 3 3H MET 1 HT3 MET 1 184.399 -0.803 -6.801 4 HA MET 1 HA MET 1 185.435 -0.720 -9.048 5 1HB MET 1 HB2 MET 1 187.129 -2.879 -7.773 6 2HB MET 1 HB1 MET 1 187.151 -2.412 -9.468 7 1HG MET 1 HG2 MET 1 188.005 -0.732 -7.125 8 2HG MET 1 HG1 MET 1 189.051 -1.471 -8.336 9 1HE MET 1 HE1 MET 1 190.064 1.194 -9.947 10 2HE MET 1 HE2 MET 1 189.184 0.332 -11.209 11 3HE MET 1 HE3 MET 1 189.962 -0.566 -9.905 12 H THR 2 HN THR 2 185.104 -3.552 -6.906 13 HA THR 2 HA THR 2 183.221 -4.714 -8.840 14 HB THR 2 HB THR 2 184.586 -6.056 -6.500 15 HG1 THR 2 HG1 THR 2 185.980 -6.902 -8.035 16 1HG2 THR 2 HG21 THR 2 183.513 -7.510 -8.857 17 2HG2 THR 2 HG22 THR 2 182.410 -7.020 -7.571 18 3HG2 THR 2 HG23 THR 2 183.780 -8.070 -7.208 19 H MET 3 HN MET 3 181.282 -3.796 -8.360 20 HA MET 3 HA MET 3 180.320 -3.139 -5.826 21 1HB MET 3 HB2 MET 3 179.386 -2.982 -8.452 22 2HB MET 3 HB1 MET 3 178.194 -3.969 -7.619 23 1HG MET 3 HG2 MET 3 178.585 -1.938 -5.842 24 2HG MET 3 HG1 MET 3 178.770 -1.116 -7.391 25 1HE MET 3 HE1 MET 3 175.567 0.081 -6.302 26 2HE MET 3 HE2 MET 3 177.006 -0.346 -5.376 27 3HE MET 3 HE3 MET 3 175.490 -1.199 -5.090 28 H ASN 4 HN ASN 4 180.767 -4.839 -4.395 29 HA ASN 4 HA ASN 4 179.545 -7.431 -4.846 30 1HB ASN 4 HB2 ASN 4 180.981 -6.486 -2.362 31 2HB ASN 4 HB1 ASN 4 180.689 -8.147 -2.867 32 1HD2 ASN 4 HD21 ASN 4 182.856 -5.607 -2.865 33 2HD2 ASN 4 HD22 ASN 4 183.980 -6.219 -4.027 34 H ILE 5 HN ILE 5 177.460 -7.709 -4.430 35 HA ILE 5 HA ILE 5 176.287 -6.290 -2.126 36 HB ILE 5 HB ILE 5 174.776 -7.262 -4.548 37 1HG1 ILE 5 HG12 ILE 5 174.881 -4.397 -4.320 38 2HG1 ILE 5 HG11 ILE 5 176.521 -5.039 -4.366 39 1HG2 ILE 5 HG21 ILE 5 173.588 -6.982 -2.336 40 2HG2 ILE 5 HG22 ILE 5 172.930 -6.063 -3.690 41 3HG2 ILE 5 HG23 ILE 5 173.924 -5.256 -2.477 42 1HD1 ILE 5 HD11 ILE 5 176.377 -5.379 -6.543 43 2HD1 ILE 5 HD12 ILE 5 174.811 -4.571 -6.517 44 3HD1 ILE 5 HD13 ILE 5 174.901 -6.323 -6.351 45 H THR 6 HN THR 6 175.669 -7.534 -0.503 46 HA THR 6 HA THR 6 174.770 -10.274 -1.057 47 HB THR 6 HB THR 6 176.153 -10.083 1.491 48 HG1 THR 6 HG1 THR 6 177.439 -8.588 0.310 49 1HG2 THR 6 HG21 THR 6 176.759 -11.785 -0.912 50 2HG2 THR 6 HG22 THR 6 175.596 -12.194 0.349 51 3HG2 THR 6 HG23 THR 6 177.308 -12.046 0.745 52 H SER 7 HN SER 7 172.666 -9.280 -0.844 53 HA SER 7 HA SER 7 171.891 -8.170 1.703 54 1HB SER 7 HB2 SER 7 170.460 -8.762 -0.873 55 2HB SER 7 HB1 SER 7 169.552 -8.354 0.583 56 HG SER 7 HG SER 7 169.918 -6.416 -0.259 57 H LYS 8 HN LYS 8 171.120 -9.253 3.402 58 HA LYS 8 HA LYS 8 170.912 -12.110 3.317 59 1HB LYS 8 HB2 LYS 8 171.770 -10.982 5.308 60 2HB LYS 8 HB1 LYS 8 170.240 -10.145 5.515 61 1HG LYS 8 HG2 LYS 8 169.116 -12.263 5.930 62 2HG LYS 8 HG1 LYS 8 170.638 -13.122 5.693 63 1HD LYS 8 HD2 LYS 8 171.602 -11.859 7.591 64 2HD LYS 8 HD1 LYS 8 170.027 -11.106 7.854 65 1HE LYS 8 HE2 LYS 8 170.751 -14.018 8.118 66 2HE LYS 8 HE1 LYS 8 170.222 -12.918 9.389 67 1HZ LYS 8 HZ1 LYS 8 168.623 -14.094 7.200 68 2HZ LYS 8 HZ2 LYS 8 168.096 -12.723 8.035 69 3HZ LYS 8 HZ3 LYS 8 168.347 -14.172 8.868 70 H GLN 9 HN GLN 9 169.231 -12.974 2.278 71 HA GLN 9 HA GLN 9 167.103 -13.603 1.814 72 1HB GLN 9 HB2 GLN 9 166.372 -13.907 3.948 73 2HB GLN 9 HB1 GLN 9 166.829 -12.294 4.458 74 1HG GLN 9 HG2 GLN 9 164.757 -11.679 2.865 75 2HG GLN 9 HG1 GLN 9 164.275 -13.296 3.372 76 1HE2 GLN 9 HE21 GLN 9 165.748 -10.420 4.848 77 2HE2 GLN 9 HE22 GLN 9 164.731 -10.403 6.242 78 H MET 10 HN MET 10 166.819 -10.211 2.937 79 HA MET 10 HA MET 10 164.887 -9.454 1.077 80 1HB MET 10 HB2 MET 10 165.733 -8.202 3.163 81 2HB MET 10 HB1 MET 10 166.980 -7.554 2.108 82 1HG MET 10 HG2 MET 10 165.105 -6.020 2.347 83 2HG MET 10 HG1 MET 10 165.299 -6.559 0.681 84 1HE MET 10 HE1 MET 10 161.724 -5.820 0.850 85 2HE MET 10 HE2 MET 10 163.159 -5.038 1.513 86 3HE MET 10 HE3 MET 10 161.936 -5.700 2.597 87 H GLU 11 HN GLU 11 165.136 -7.910 -0.724 88 HA GLU 11 HA GLU 11 167.532 -8.542 -2.315 89 1HB GLU 11 HB2 GLU 11 166.055 -8.038 -4.306 90 2HB GLU 11 HB1 GLU 11 165.662 -9.498 -3.412 91 1HG GLU 11 HG2 GLU 11 163.574 -8.681 -3.616 92 2HG GLU 11 HG1 GLU 11 164.031 -7.801 -2.159 93 H ILE 12 HN ILE 12 167.761 -6.810 -4.174 94 HA ILE 12 HA ILE 12 167.957 -4.225 -2.807 95 HB ILE 12 HB ILE 12 169.159 -4.480 -5.487 96 1HG1 ILE 12 HG12 ILE 12 169.661 -6.718 -4.699 97 2HG1 ILE 12 HG11 ILE 12 171.124 -5.741 -4.622 98 1HG2 ILE 12 HG21 ILE 12 170.729 -3.704 -3.117 99 2HG2 ILE 12 HG22 ILE 12 169.335 -2.693 -3.497 100 3HG2 ILE 12 HG23 ILE 12 170.601 -2.937 -4.700 101 1HD1 ILE 12 HD11 ILE 12 171.234 -5.840 -2.373 102 2HD1 ILE 12 HD12 ILE 12 170.321 -7.325 -2.642 103 3HD1 ILE 12 HD13 ILE 12 169.482 -5.846 -2.175 104 H THR 13 HN THR 13 166.708 -2.554 -3.332 105 HA THR 13 HA THR 13 164.928 -2.815 -5.641 106 HB THR 13 HB THR 13 163.442 -1.394 -4.574 107 HG1 THR 13 HG1 THR 13 164.032 0.195 -3.153 108 1HG2 THR 13 HG21 THR 13 163.138 -2.041 -2.347 109 2HG2 THR 13 HG22 THR 13 164.861 -2.338 -2.109 110 3HG2 THR 13 HG23 THR 13 163.913 -3.419 -3.132 111 HA PRO 14 HA PRO 14 166.908 0.165 -8.198 112 1HB PRO 14 HB2 PRO 14 164.794 1.853 -8.828 113 2HB PRO 14 HB1 PRO 14 165.169 0.339 -9.653 114 1HG PRO 14 HG2 PRO 14 163.169 0.882 -7.501 115 2HG PRO 14 HG1 PRO 14 163.029 -0.162 -8.929 116 1HD PRO 14 HD2 PRO 14 163.473 -1.191 -6.501 117 2HD PRO 14 HD1 PRO 14 164.243 -1.882 -7.944 118 H ALA 15 HN ALA 15 164.690 1.541 -5.798 119 HA ALA 15 HA ALA 15 165.797 4.130 -5.762 120 1HB ALA 15 HB1 ALA 15 164.768 3.688 -3.216 121 2HB ALA 15 HB2 ALA 15 163.815 2.647 -4.274 122 3HB ALA 15 HB3 ALA 15 163.917 4.377 -4.599 123 H ILE 16 HN ILE 16 166.460 1.253 -3.795 124 HA ILE 16 HA ILE 16 168.355 2.533 -2.102 125 HB ILE 16 HB ILE 16 168.086 -0.418 -2.687 126 1HG1 ILE 16 HG12 ILE 16 166.786 1.281 -0.546 127 2HG1 ILE 16 HG11 ILE 16 165.965 0.544 -1.916 128 1HG2 ILE 16 HG21 ILE 16 170.061 0.914 -1.287 129 2HG2 ILE 16 HG22 ILE 16 169.655 -0.796 -1.145 130 3HG2 ILE 16 HG23 ILE 16 168.952 0.372 -0.028 131 1HD1 ILE 16 HD11 ILE 16 167.245 -1.573 -0.680 132 2HD1 ILE 16 HD12 ILE 16 165.532 -1.166 -0.574 133 3HD1 ILE 16 HD13 ILE 16 166.654 -0.578 0.651 134 H ARG 17 HN ARG 17 168.756 0.261 -4.832 135 HA ARG 17 HA ARG 17 171.513 0.165 -4.878 136 1HB ARG 17 HB2 ARG 17 171.361 -0.650 -7.100 137 2HB ARG 17 HB1 ARG 17 169.910 -1.195 -6.275 138 1HG ARG 17 HG2 ARG 17 168.708 -0.328 -7.907 139 2HG ARG 17 HG1 ARG 17 169.259 1.277 -7.432 140 1HD ARG 17 HD2 ARG 17 170.873 1.353 -9.063 141 2HD ARG 17 HD1 ARG 17 171.038 -0.402 -9.131 142 HE ARG 17 HE ARG 17 169.387 1.180 -10.772 143 1HH1 ARG 17 HH11 ARG 17 169.360 -1.839 -9.020 144 2HH1 ARG 17 HH12 ARG 17 168.213 -2.587 -10.080 145 1HH2 ARG 17 HH21 ARG 17 167.882 0.196 -12.170 146 2HH2 ARG 17 HH22 ARG 17 167.376 -1.434 -11.869 147 H GLN 18 HN GLN 18 169.394 2.699 -6.035 148 HA GLN 18 HA GLN 18 171.444 4.097 -7.478 149 1HB GLN 18 HB2 GLN 18 168.652 4.239 -7.307 150 2HB GLN 18 HB1 GLN 18 169.223 5.769 -6.658 151 1HG GLN 18 HG2 GLN 18 168.950 6.199 -8.915 152 2HG GLN 18 HG1 GLN 18 170.681 5.895 -8.761 153 1HE2 GLN 18 HE21 GLN 18 167.622 4.286 -9.516 154 2HE2 GLN 18 HE22 GLN 18 168.282 3.188 -10.676 155 H HIS 19 HN HIS 19 169.976 4.334 -4.286 156 HA HIS 19 HA HIS 19 171.188 6.737 -3.471 157 1HB HIS 19 HB2 HIS 19 169.499 4.754 -2.342 158 2HB HIS 19 HB1 HIS 19 170.843 4.981 -1.239 159 HD1 HIS 19 HD1 HIS 19 170.958 7.196 0.047 160 HD2 HIS 19 HD2 HIS 19 167.843 6.986 -2.677 161 HE1 HIS 19 HE1 HIS 19 169.460 9.144 0.589 162 HE2 HIS 19 HE2 HIS 19 167.533 8.945 -1.019 163 H VAL 20 HN VAL 20 172.056 3.425 -2.448 164 HA VAL 20 HA VAL 20 174.479 4.081 -1.252 165 HB VAL 20 HB VAL 20 173.333 1.899 -0.985 166 1HG1 VAL 20 HG11 VAL 20 173.566 0.156 -2.624 167 2HG1 VAL 20 HG12 VAL 20 174.522 1.208 -3.666 168 3HG1 VAL 20 HG13 VAL 20 172.816 1.558 -3.389 169 1HG2 VAL 20 HG21 VAL 20 175.782 2.339 -0.461 170 2HG2 VAL 20 HG22 VAL 20 176.144 1.460 -1.946 171 3HG2 VAL 20 HG23 VAL 20 175.295 0.652 -0.629 172 H ALA 21 HN ALA 21 173.836 3.031 -4.587 173 HA ALA 21 HA ALA 21 176.513 2.976 -5.441 174 1HB ALA 21 HB1 ALA 21 174.026 3.499 -7.065 175 2HB ALA 21 HB2 ALA 21 174.717 1.917 -6.704 176 3HB ALA 21 HB3 ALA 21 175.606 3.060 -7.713 177 H ASP 22 HN ASP 22 174.185 5.575 -5.154 178 HA ASP 22 HA ASP 22 175.442 7.512 -6.722 179 1HB ASP 22 HB2 ASP 22 173.358 7.446 -4.698 180 2HB ASP 22 HB1 ASP 22 174.329 8.911 -4.579 181 H ARG 23 HN ARG 23 175.702 7.021 -3.190 182 HA ARG 23 HA ARG 23 177.781 8.919 -2.879 183 1HB ARG 23 HB2 ARG 23 176.760 6.685 -1.142 184 2HB ARG 23 HB1 ARG 23 178.155 7.644 -0.668 185 1HG ARG 23 HG2 ARG 23 175.290 8.447 -0.890 186 2HG ARG 23 HG1 ARG 23 176.439 8.724 0.417 187 1HD ARG 23 HD2 ARG 23 177.674 10.203 -1.319 188 2HD ARG 23 HD1 ARG 23 176.131 10.187 -2.169 189 HE ARG 23 HE ARG 23 176.235 11.029 0.639 190 1HH1 ARG 23 HH11 ARG 23 175.651 11.801 -2.721 191 2HH1 ARG 23 HH12 ARG 23 174.881 13.308 -2.364 192 1HH2 ARG 23 HH21 ARG 23 175.229 13.016 1.098 193 2HH2 ARG 23 HH22 ARG 23 174.644 13.999 -0.203 194 H LEU 24 HN LEU 24 177.751 5.497 -3.616 195 HA LEU 24 HA LEU 24 180.405 4.851 -3.063 196 1HB LEU 24 HB2 LEU 24 178.798 3.146 -3.651 197 2HB LEU 24 HB1 LEU 24 178.583 3.841 -5.246 198 HG LEU 24 HG LEU 24 180.864 3.225 -5.855 199 1HD1 LEU 24 HD11 LEU 24 182.419 2.851 -4.325 200 2HD1 LEU 24 HD12 LEU 24 181.533 1.440 -3.749 201 3HD1 LEU 24 HD13 LEU 24 181.214 3.027 -3.050 202 1HD2 LEU 24 HD21 LEU 24 178.745 1.561 -5.689 203 2HD2 LEU 24 HD22 LEU 24 179.926 0.676 -4.725 204 3HD2 LEU 24 HD23 LEU 24 180.300 1.114 -6.392 205 H ALA 25 HN ALA 25 178.966 6.463 -5.837 206 HA ALA 25 HA ALA 25 181.369 6.503 -7.393 207 1HB ALA 25 HB1 ALA 25 178.773 8.015 -7.623 208 2HB ALA 25 HB2 ALA 25 179.300 6.623 -8.569 209 3HB ALA 25 HB3 ALA 25 180.103 8.180 -8.769 210 H LYS 26 HN LYS 26 179.693 8.782 -5.271 211 HA LYS 26 HA LYS 26 181.448 10.963 -5.701 212 1HB LYS 26 HB2 LYS 26 179.869 10.469 -3.181 213 2HB LYS 26 HB1 LYS 26 180.359 12.013 -3.866 214 1HG LYS 26 HG2 LYS 26 178.756 10.548 -5.749 215 2HG LYS 26 HG1 LYS 26 177.921 10.695 -4.202 216 1HD LYS 26 HD2 LYS 26 179.180 13.188 -4.924 217 2HD LYS 26 HD1 LYS 26 178.120 12.626 -6.218 218 1HE LYS 26 HE2 LYS 26 176.322 12.325 -4.520 219 2HE LYS 26 HE1 LYS 26 177.389 13.062 -3.325 220 1HZ LYS 26 HZ1 LYS 26 175.844 14.671 -4.252 221 2HZ LYS 26 HZ2 LYS 26 176.423 14.366 -5.813 222 3HZ LYS 26 HZ3 LYS 26 177.437 15.074 -4.659 223 H LEU 27 HN LEU 27 181.605 8.134 -3.697 224 HA LEU 27 HA LEU 27 183.407 8.970 -1.742 225 1HB LEU 27 HB2 LEU 27 182.774 6.326 -2.983 226 2HB LEU 27 HB1 LEU 27 184.125 6.458 -1.873 227 HG LEU 27 HG LEU 27 181.253 7.131 -1.233 228 1HD1 LEU 27 HD11 LEU 27 182.779 4.973 0.115 229 2HD1 LEU 27 HD12 LEU 27 182.154 4.662 -1.504 230 3HD1 LEU 27 HD13 LEU 27 181.051 5.109 -0.203 231 1HD2 LEU 27 HD21 LEU 27 183.770 7.258 0.410 232 2HD2 LEU 27 HD22 LEU 27 182.152 7.245 1.111 233 3HD2 LEU 27 HD23 LEU 27 182.643 8.565 0.051 234 H GLU 28 HN GLU 28 183.901 8.230 -5.094 235 HA GLU 28 HA GLU 28 186.630 7.643 -5.106 236 1HB GLU 28 HB2 GLU 28 185.167 7.379 -7.067 237 2HB GLU 28 HB1 GLU 28 185.022 9.128 -7.195 238 1HG GLU 28 HG2 GLU 28 187.259 9.375 -7.850 239 2HG GLU 28 HG1 GLU 28 187.676 7.740 -7.337 240 H LYS 29 HN LYS 29 184.989 10.606 -4.507 241 HA LYS 29 HA LYS 29 187.208 12.318 -5.147 242 1HB LYS 29 HB2 LYS 29 185.383 13.620 -5.368 243 2HB LYS 29 HB1 LYS 29 184.420 12.616 -4.301 244 1HG LYS 29 HG2 LYS 29 184.475 14.700 -3.268 245 2HG LYS 29 HG1 LYS 29 185.669 13.752 -2.383 246 1HD LYS 29 HD2 LYS 29 187.322 14.771 -4.149 247 2HD LYS 29 HD1 LYS 29 186.063 15.997 -4.311 248 1HE LYS 29 HE2 LYS 29 187.714 15.292 -1.910 249 2HE LYS 29 HE1 LYS 29 187.491 16.862 -2.678 250 1HZ LYS 29 HZ1 LYS 29 186.153 17.065 -0.853 251 2HZ LYS 29 HZ2 LYS 29 185.722 15.431 -0.826 252 3HZ LYS 29 HZ3 LYS 29 185.026 16.468 -1.966 253 H TRP 30 HN TRP 30 186.752 10.177 -2.678 254 HA TRP 30 HA TRP 30 187.895 11.849 -0.585 255 1HB TRP 30 HB2 TRP 30 186.657 9.141 -0.692 256 2HB TRP 30 HB1 TRP 30 187.813 9.465 0.595 257 HD1 TRP 30 HD1 TRP 30 184.271 10.202 -0.487 258 HE1 TRP 30 HE1 TRP 30 183.075 11.536 1.360 259 HE3 TRP 30 HE3 TRP 30 188.296 11.270 2.479 260 HZ2 TRP 30 HZ2 TRP 30 183.746 12.864 3.759 261 HZ3 TRP 30 HZ3 TRP 30 187.934 12.579 4.531 262 HH2 TRP 30 HH2 TRP 30 185.706 13.360 5.155 263 H GLN 31 HN GLN 31 189.411 11.064 -3.057 264 HA GLN 31 HA GLN 31 191.559 10.569 -3.594 265 1HB GLN 31 HB2 GLN 31 191.652 11.192 -0.757 266 2HB GLN 31 HB1 GLN 31 192.910 10.057 -1.223 267 1HG GLN 31 HG2 GLN 31 193.843 11.561 -2.765 268 2HG GLN 31 HG1 GLN 31 192.427 12.610 -2.722 269 1HE2 GLN 31 HE21 GLN 31 194.297 11.147 -0.096 270 2HE2 GLN 31 HE22 GLN 31 194.737 12.639 0.656 271 H THR 32 HN THR 32 189.543 8.395 -2.078 272 HA THR 32 HA THR 32 191.447 6.203 -2.014 273 HB THR 32 HB THR 32 189.789 6.299 -0.241 274 HG1 THR 32 HG1 THR 32 190.387 4.228 -0.912 275 1HG2 THR 32 HG21 THR 32 187.391 5.697 -0.876 276 2HG2 THR 32 HG22 THR 32 187.807 6.300 -2.480 277 3HG2 THR 32 HG23 THR 32 187.909 7.371 -1.083 278 H HIS 33 HN HIS 33 190.316 4.049 -2.942 279 HA HIS 33 HA HIS 33 189.436 4.657 -5.684 280 1HB HIS 33 HB2 HIS 33 190.846 2.206 -5.761 281 2HB HIS 33 HB1 HIS 33 191.280 3.730 -6.522 282 HD1 HIS 33 HD1 HIS 33 193.636 4.233 -6.026 283 HD2 HIS 33 HD2 HIS 33 191.724 2.501 -2.769 284 HE1 HIS 33 HE1 HIS 33 195.362 4.153 -4.198 285 HE2 HIS 33 HE2 HIS 33 194.155 3.189 -2.209 286 H LEU 34 HN LEU 34 188.941 2.841 -2.827 287 HA LEU 34 HA LEU 34 187.522 1.152 -2.255 288 1HB LEU 34 HB2 LEU 34 185.807 2.095 -4.540 289 2HB LEU 34 HB1 LEU 34 185.294 1.376 -3.025 290 HG LEU 34 HG LEU 34 184.744 3.656 -2.844 291 1HD1 LEU 34 HD11 LEU 34 187.422 3.639 -1.501 292 2HD1 LEU 34 HD12 LEU 34 186.112 2.600 -0.941 293 3HD1 LEU 34 HD13 LEU 34 185.906 4.352 -0.950 294 1HD2 LEU 34 HD21 LEU 34 187.500 4.596 -3.477 295 2HD2 LEU 34 HD22 LEU 34 185.959 5.439 -3.632 296 3HD2 LEU 34 HD23 LEU 34 186.402 4.188 -4.795 297 H ILE 35 HN ILE 35 188.686 -0.650 -2.763 298 HA ILE 35 HA ILE 35 188.754 -1.711 -5.437 299 HB ILE 35 HB ILE 35 189.594 -3.169 -2.941 300 1HG1 ILE 35 HG12 ILE 35 190.616 -0.902 -2.991 301 2HG1 ILE 35 HG11 ILE 35 191.801 -2.190 -3.171 302 1HG2 ILE 35 HG21 ILE 35 189.505 -3.950 -5.577 303 2HG2 ILE 35 HG22 ILE 35 190.482 -4.690 -4.309 304 3HG2 ILE 35 HG23 ILE 35 191.185 -3.461 -5.360 305 1HD1 ILE 35 HD11 ILE 35 191.188 -1.632 -5.763 306 2HD1 ILE 35 HD12 ILE 35 192.557 -0.967 -4.873 307 3HD1 ILE 35 HD13 ILE 35 191.059 -0.045 -5.003 308 H ASN 36 HN ASN 36 187.657 -3.176 -2.368 309 HA ASN 36 HA ASN 36 185.689 -4.709 -3.925 310 1HB ASN 36 HB2 ASN 36 187.348 -5.334 -1.543 311 2HB ASN 36 HB1 ASN 36 185.733 -6.034 -1.596 312 1HD2 ASN 36 HD21 ASN 36 188.369 -7.296 -1.763 313 2HD2 ASN 36 HD22 ASN 36 188.371 -8.186 -3.243 314 HA PRO 37 HA PRO 37 183.106 -1.814 -1.408 315 1HB PRO 37 HB2 PRO 37 181.280 -1.322 -3.337 316 2HB PRO 37 HB1 PRO 37 182.810 -0.443 -3.237 317 1HG PRO 37 HG2 PRO 37 182.064 -2.753 -4.991 318 2HG PRO 37 HG1 PRO 37 182.956 -1.277 -5.405 319 1HD PRO 37 HD2 PRO 37 184.179 -3.652 -4.912 320 2HD PRO 37 HD1 PRO 37 184.935 -2.087 -4.557 321 H HIS 38 HN HIS 38 182.101 -3.144 0.005 322 HA HIS 38 HA HIS 38 180.281 -5.203 -1.010 323 1HB HIS 38 HB2 HIS 38 182.110 -5.134 1.135 324 2HB HIS 38 HB1 HIS 38 180.508 -5.172 1.865 325 HD1 HIS 38 HD1 HIS 38 183.029 -7.310 0.361 326 HD2 HIS 38 HD2 HIS 38 178.915 -7.452 0.928 327 HE1 HIS 38 HE1 HIS 38 182.388 -9.720 0.040 328 HE2 HIS 38 HE2 HIS 38 179.885 -9.770 0.308 329 H ILE 39 HN ILE 39 178.118 -5.231 -0.560 330 HA ILE 39 HA ILE 39 177.009 -3.100 1.118 331 HB ILE 39 HB ILE 39 175.905 -3.686 -1.628 332 1HG1 ILE 39 HG12 ILE 39 178.178 -2.629 -1.702 333 2HG1 ILE 39 HG11 ILE 39 176.902 -1.642 -2.403 334 1HG2 ILE 39 HG21 ILE 39 175.126 -1.950 0.634 335 2HG2 ILE 39 HG22 ILE 39 174.127 -2.774 -0.563 336 3HG2 ILE 39 HG23 ILE 39 174.952 -1.273 -0.986 337 1HD1 ILE 39 HD11 ILE 39 177.110 -0.957 0.330 338 2HD1 ILE 39 HD12 ILE 39 177.482 0.027 -1.085 339 3HD1 ILE 39 HD13 ILE 39 178.735 -0.977 -0.355 340 H ILE 40 HN ILE 40 176.052 -4.299 2.652 341 HA ILE 40 HA ILE 40 174.455 -6.627 1.836 342 HB ILE 40 HB ILE 40 175.287 -5.883 4.639 343 1HG1 ILE 40 HG12 ILE 40 176.589 -7.833 2.725 344 2HG1 ILE 40 HG11 ILE 40 177.263 -6.283 3.219 345 1HG2 ILE 40 HG21 ILE 40 174.767 -8.682 3.982 346 2HG2 ILE 40 HG22 ILE 40 173.361 -7.633 3.789 347 3HG2 ILE 40 HG23 ILE 40 174.198 -7.708 5.339 348 1HD1 ILE 40 HD11 ILE 40 176.864 -7.428 5.624 349 2HD1 ILE 40 HD12 ILE 40 178.366 -7.547 4.706 350 3HD1 ILE 40 HD13 ILE 40 177.183 -8.852 4.635 351 H LEU 41 HN LEU 41 172.482 -5.852 1.292 352 HA LEU 41 HA LEU 41 171.126 -4.045 3.172 353 1HB LEU 41 HB2 LEU 41 171.151 -3.153 0.966 354 2HB LEU 41 HB1 LEU 41 170.668 -4.683 0.266 355 HG LEU 41 HG LEU 41 168.541 -4.134 1.903 356 1HD1 LEU 41 HD11 LEU 41 167.926 -1.810 1.520 357 2HD1 LEU 41 HD12 LEU 41 169.476 -1.520 0.731 358 3HD1 LEU 41 HD13 LEU 41 169.422 -1.924 2.446 359 1HD2 LEU 41 HD21 LEU 41 167.352 -3.615 -0.140 360 2HD2 LEU 41 HD22 LEU 41 168.502 -4.921 -0.427 361 3HD2 LEU 41 HD23 LEU 41 168.872 -3.286 -0.972 362 H SER 42 HN SER 42 170.222 -5.335 4.706 363 HA SER 42 HA SER 42 168.537 -7.562 3.768 364 1HB SER 42 HB2 SER 42 169.450 -7.242 6.614 365 2HB SER 42 HB1 SER 42 168.944 -8.706 5.771 366 HG SER 42 HG SER 42 171.349 -8.107 6.161 367 H LYS 43 HN LYS 43 166.601 -7.997 5.153 368 HA LYS 43 HA LYS 43 165.312 -5.448 5.844 369 1HB LYS 43 HB2 LYS 43 164.193 -6.554 4.029 370 2HB LYS 43 HB1 LYS 43 164.155 -8.075 4.908 371 1HG LYS 43 HG2 LYS 43 162.846 -5.895 6.331 372 2HG LYS 43 HG1 LYS 43 162.118 -6.249 4.764 373 1HD LYS 43 HD2 LYS 43 162.193 -8.706 5.511 374 2HD LYS 43 HD1 LYS 43 162.460 -8.062 7.132 375 1HE LYS 43 HE2 LYS 43 160.260 -7.831 7.338 376 2HE LYS 43 HE1 LYS 43 160.317 -6.599 6.077 377 1HZ LYS 43 HZ1 LYS 43 158.769 -8.168 5.343 378 2HZ LYS 43 HZ2 LYS 43 159.732 -9.484 5.789 379 3HZ LYS 43 HZ3 LYS 43 160.169 -8.528 4.464 380 H GLU 44 HN GLU 44 165.404 -5.102 7.969 381 HA GLU 44 HA GLU 44 165.040 -7.374 9.793 382 1HB GLU 44 HB2 GLU 44 166.641 -4.937 9.874 383 2HB GLU 44 HB1 GLU 44 165.728 -5.195 11.354 384 1HG GLU 44 HG2 GLU 44 166.686 -7.452 11.527 385 2HG GLU 44 HG1 GLU 44 167.645 -7.134 10.083 386 HA PRO 45 HA PRO 45 160.964 -6.480 11.177 387 1HB PRO 45 HB2 PRO 45 161.817 -6.064 13.910 388 2HB PRO 45 HB1 PRO 45 160.931 -7.420 13.231 389 1HG PRO 45 HG2 PRO 45 163.777 -7.182 13.838 390 2HG PRO 45 HG1 PRO 45 162.819 -8.636 13.525 391 1HD PRO 45 HD2 PRO 45 164.690 -7.684 11.799 392 2HD PRO 45 HD1 PRO 45 163.252 -8.582 11.269 393 H GLN 46 HN GLN 46 163.410 -4.556 12.900 394 HA GLN 46 HA GLN 46 161.603 -2.260 12.816 395 1HB GLN 46 HB2 GLN 46 162.817 -3.254 14.920 396 2HB GLN 46 HB1 GLN 46 164.165 -2.277 14.347 397 1HG GLN 46 HG2 GLN 46 162.795 -1.129 16.035 398 2HG GLN 46 HG1 GLN 46 162.849 -0.272 14.495 399 1HE2 GLN 46 HE21 GLN 46 160.916 -3.065 15.487 400 2HE2 GLN 46 HE22 GLN 46 159.381 -2.316 15.228 401 H GLY 47 HN GLY 47 162.656 -2.677 10.348 402 1HA GLY 47 HA2 GLY 47 163.386 -0.787 8.973 403 2HA GLY 47 HA1 GLY 47 164.642 -0.499 10.163 404 H PHE 48 HN PHE 48 165.434 -0.549 7.659 405 HA PHE 48 HA PHE 48 166.239 -3.176 6.781 406 1HB PHE 48 HB2 PHE 48 166.728 -0.376 5.790 407 2HB PHE 48 HB1 PHE 48 167.622 -1.735 5.124 408 HD1 PHE 48 HD1 PHE 48 165.005 -3.569 5.509 409 HD2 PHE 48 HD2 PHE 48 165.889 0.107 3.555 410 HE1 PHE 48 HE1 PHE 48 163.185 -3.986 3.911 411 HE2 PHE 48 HE2 PHE 48 164.069 -0.303 1.957 412 HZ PHE 48 HZ PHE 48 162.712 -2.346 2.132 413 H VAL 49 HN VAL 49 168.385 -3.917 6.607 414 HA VAL 49 HA VAL 49 170.231 -2.711 8.563 415 HB VAL 49 HB VAL 49 170.809 -5.454 7.652 416 1HG1 VAL 49 HG11 VAL 49 172.150 -4.485 9.371 417 2HG1 VAL 49 HG12 VAL 49 171.155 -5.736 10.117 418 3HG1 VAL 49 HG13 VAL 49 170.725 -4.036 10.308 419 1HG2 VAL 49 HG21 VAL 49 169.113 -6.525 8.956 420 2HG2 VAL 49 HG22 VAL 49 168.328 -5.450 7.801 421 3HG2 VAL 49 HG23 VAL 49 168.479 -4.969 9.489 422 H ALA 50 HN ALA 50 170.957 -1.245 6.908 423 HA ALA 50 HA ALA 50 172.244 -2.272 4.548 424 1HB ALA 50 HB1 ALA 50 172.918 0.096 4.199 425 2HB ALA 50 HB2 ALA 50 172.153 0.493 5.735 426 3HB ALA 50 HB3 ALA 50 171.182 -0.132 4.403 427 H ASP 51 HN ASP 51 173.919 -3.608 5.170 428 HA ASP 51 HA ASP 51 176.081 -2.368 6.737 429 1HB ASP 51 HB2 ASP 51 174.968 -5.089 6.634 430 2HB ASP 51 HB1 ASP 51 176.728 -5.021 6.634 431 H ALA 52 HN ALA 52 177.329 -1.376 5.212 432 HA ALA 52 HA ALA 52 178.114 -2.894 2.834 433 1HB ALA 52 HB1 ALA 52 177.326 -0.361 2.966 434 2HB ALA 52 HB2 ALA 52 178.502 -0.920 1.778 435 3HB ALA 52 HB3 ALA 52 179.049 -0.111 3.244 436 H THR 53 HN THR 53 180.484 -2.385 2.141 437 HA THR 53 HA THR 53 182.416 -2.088 4.225 438 HB THR 53 HB THR 53 182.869 -4.713 3.029 439 HG1 THR 53 HG1 THR 53 180.727 -4.532 4.864 440 1HG2 THR 53 HG21 THR 53 183.967 -3.615 5.088 441 2HG2 THR 53 HG22 THR 53 183.584 -5.336 5.130 442 3HG2 THR 53 HG23 THR 53 182.532 -4.179 5.945 443 H ILE 54 HN ILE 54 183.526 -0.633 3.008 444 HA ILE 54 HA ILE 54 184.308 -1.395 0.287 445 HB ILE 54 HB ILE 54 185.156 1.259 1.200 446 1HG1 ILE 54 HG12 ILE 54 182.202 0.607 1.022 447 2HG1 ILE 54 HG11 ILE 54 183.063 1.170 2.450 448 1HG2 ILE 54 HG21 ILE 54 185.323 0.573 -1.104 449 2HG2 ILE 54 HG22 ILE 54 184.170 1.899 -0.971 450 3HG2 ILE 54 HG23 ILE 54 183.591 0.244 -1.167 451 1HD1 ILE 54 HD11 ILE 54 183.538 3.287 1.288 452 2HD1 ILE 54 HD12 ILE 54 181.812 2.977 1.483 453 3HD1 ILE 54 HD13 ILE 54 182.584 2.719 -0.083 454 H ASN 55 HN ASN 55 186.288 -2.083 -0.153 455 HA ASN 55 HA ASN 55 188.274 -2.185 1.941 456 1HB ASN 55 HB2 ASN 55 187.657 -3.757 -0.288 457 2HB ASN 55 HB1 ASN 55 189.218 -3.037 -0.669 458 1HD2 ASN 55 HD21 ASN 55 190.602 -2.966 1.534 459 2HD2 ASN 55 HD22 ASN 55 190.771 -4.524 2.261 460 H THR 56 HN THR 56 189.081 -0.164 2.312 461 HA THR 56 HA THR 56 190.079 1.418 0.069 462 HB THR 56 HB THR 56 189.802 3.231 1.377 463 HG1 THR 56 HG1 THR 56 191.229 3.409 2.874 464 1HG2 THR 56 HG21 THR 56 187.738 2.012 1.932 465 2HG2 THR 56 HG22 THR 56 188.271 3.106 3.208 466 3HG2 THR 56 HG23 THR 56 188.537 1.370 3.368 467 HA PRO 57 HA PRO 57 194.372 0.547 0.520 468 1HB PRO 57 HB2 PRO 57 195.569 2.975 0.990 469 2HB PRO 57 HB1 PRO 57 195.036 2.420 -0.599 470 1HG PRO 57 HG2 PRO 57 193.677 4.266 1.318 471 2HG PRO 57 HG1 PRO 57 193.802 4.374 -0.447 472 1HD PRO 57 HD2 PRO 57 191.569 3.509 0.771 473 2HD PRO 57 HD1 PRO 57 192.099 2.846 -0.786 474 H ASN 58 HN ASN 58 192.787 2.187 3.125 475 HA ASN 58 HA ASN 58 195.003 1.660 4.956 476 1HB ASN 58 HB2 ASN 58 193.898 3.047 6.538 477 2HB ASN 58 HB1 ASN 58 193.732 3.858 4.986 478 1HD2 ASN 58 HD21 ASN 58 192.046 1.687 7.209 479 2HD2 ASN 58 HD22 ASN 58 190.458 2.242 6.823 480 H GLY 59 HN GLY 59 191.910 0.407 4.042 481 1HA GLY 59 HA2 GLY 59 192.179 -2.067 5.170 482 2HA GLY 59 HA1 GLY 59 191.463 -1.096 6.446 483 H VAL 60 HN VAL 60 189.358 -1.488 6.575 484 HA VAL 60 HA VAL 60 187.765 -1.394 4.119 485 HB VAL 60 HB VAL 60 187.048 -3.451 6.170 486 1HG1 VAL 60 HG11 VAL 60 185.774 -4.400 4.472 487 2HG1 VAL 60 HG12 VAL 60 186.714 -3.622 3.199 488 3HG1 VAL 60 HG13 VAL 60 185.605 -2.668 4.184 489 1HG2 VAL 60 HG21 VAL 60 188.289 -5.149 4.843 490 2HG2 VAL 60 HG22 VAL 60 189.338 -4.012 5.692 491 3HG2 VAL 60 HG23 VAL 60 189.063 -3.833 3.958 492 H LEU 61 HN LEU 61 186.083 -0.061 4.339 493 HA LEU 61 HA LEU 61 185.330 0.802 7.035 494 1HB LEU 61 HB2 LEU 61 184.143 2.075 4.628 495 2HB LEU 61 HB1 LEU 61 184.633 2.794 6.148 496 HG LEU 61 HG LEU 61 186.822 1.782 4.432 497 1HD1 LEU 61 HD11 LEU 61 185.934 2.754 2.601 498 2HD1 LEU 61 HD12 LEU 61 186.575 4.219 3.348 499 3HD1 LEU 61 HD13 LEU 61 184.871 3.805 3.538 500 1HD2 LEU 61 HD21 LEU 61 188.047 3.307 5.555 501 2HD2 LEU 61 HD22 LEU 61 186.715 3.217 6.707 502 3HD2 LEU 61 HD23 LEU 61 186.768 4.520 5.519 503 H VAL 62 HN VAL 62 183.717 -0.283 7.942 504 HA VAL 62 HA VAL 62 181.724 -1.613 6.312 505 HB VAL 62 HB VAL 62 181.990 -1.512 9.320 506 1HG1 VAL 62 HG11 VAL 62 179.886 -2.293 9.217 507 2HG1 VAL 62 HG12 VAL 62 180.654 -3.805 8.736 508 3HG1 VAL 62 HG13 VAL 62 180.016 -2.710 7.509 509 1HG2 VAL 62 HG21 VAL 62 183.462 -3.200 9.232 510 2HG2 VAL 62 HG22 VAL 62 183.707 -2.708 7.555 511 3HG2 VAL 62 HG23 VAL 62 182.587 -4.016 7.935 512 H ALA 63 HN ALA 63 180.275 -0.217 5.464 513 HA ALA 63 HA ALA 63 179.242 2.004 6.993 514 1HB ALA 63 HB1 ALA 63 178.390 2.795 5.037 515 2HB ALA 63 HB2 ALA 63 177.971 1.190 4.440 516 3HB ALA 63 HB3 ALA 63 179.646 1.741 4.385 517 H SER 64 HN SER 64 178.084 1.214 8.710 518 HA SER 64 HA SER 64 175.865 -0.614 8.135 519 1HB SER 64 HB2 SER 64 176.869 0.259 10.849 520 2HB SER 64 HB1 SER 64 175.798 -1.095 10.486 521 HG SER 64 HG SER 64 178.559 -0.865 10.166 522 H GLY 65 HN GLY 65 174.007 0.342 7.664 523 1HA GLY 65 HA2 GLY 65 173.190 2.660 9.297 524 2HA GLY 65 HA1 GLY 65 172.985 2.673 7.551 525 H LYS 66 HN LYS 66 171.727 1.590 10.566 526 HA LYS 66 HA LYS 66 169.619 0.074 9.204 527 1HB LYS 66 HB2 LYS 66 169.093 -0.865 11.404 528 2HB LYS 66 HB1 LYS 66 170.782 -1.123 10.989 529 1HG LYS 66 HG2 LYS 66 171.543 0.334 12.586 530 2HG LYS 66 HG1 LYS 66 170.045 1.266 12.605 531 1HD LYS 66 HD2 LYS 66 170.282 -0.016 14.660 532 2HD LYS 66 HD1 LYS 66 168.910 -0.607 13.719 533 1HE LYS 66 HE2 LYS 66 169.941 -2.574 14.342 534 2HE LYS 66 HE1 LYS 66 170.639 -2.287 12.749 535 1HZ LYS 66 HZ1 LYS 66 172.087 -2.814 14.912 536 2HZ LYS 66 HZ2 LYS 66 172.074 -1.124 14.989 537 3HZ LYS 66 HZ3 LYS 66 172.667 -1.902 13.610 538 H HIS 67 HN HIS 67 167.463 0.591 9.414 539 HA HIS 67 HA HIS 67 166.387 2.411 11.252 540 1HB HIS 67 HB2 HIS 67 167.743 3.655 9.024 541 2HB HIS 67 HB1 HIS 67 166.032 4.055 9.009 542 HD1 HIS 67 HD1 HIS 67 166.993 3.614 12.442 543 HD2 HIS 67 HD2 HIS 67 167.350 6.667 9.644 544 HE1 HIS 67 HE1 HIS 67 167.409 5.702 13.775 545 HE2 HIS 67 HE2 HIS 67 167.699 7.522 12.059 546 H GLU 68 HN GLU 68 164.161 2.995 10.804 547 HA GLU 68 HA GLU 68 162.722 0.869 9.652 548 1HB GLU 68 HB2 GLU 68 160.755 2.023 10.280 549 2HB GLU 68 HB1 GLU 68 161.949 2.394 11.513 550 1HG GLU 68 HG2 GLU 68 161.304 4.211 9.203 551 2HG GLU 68 HG1 GLU 68 160.542 4.319 10.788 552 H ASP 69 HN ASP 69 163.442 4.133 8.463 553 HA ASP 69 HA ASP 69 161.923 3.687 6.043 554 1HB ASP 69 HB2 ASP 69 162.970 5.961 7.413 555 2HB ASP 69 HB1 ASP 69 163.615 5.963 5.774 556 H MET 70 HN MET 70 162.741 3.486 3.967 557 HA MET 70 HA MET 70 165.127 1.966 3.748 558 1HB MET 70 HB2 MET 70 163.346 1.475 2.249 559 2HB MET 70 HB1 MET 70 163.244 3.140 1.709 560 1HG MET 70 HG2 MET 70 165.563 2.844 0.754 561 2HG MET 70 HG1 MET 70 165.378 1.123 1.083 562 1HE MET 70 HE1 MET 70 163.159 -0.208 0.200 563 2HE MET 70 HE2 MET 70 162.118 0.398 -1.087 564 3HE MET 70 HE3 MET 70 162.052 1.127 0.517 565 H TYR 71 HN TYR 71 164.318 5.054 2.125 566 HA TYR 71 HA TYR 71 166.873 5.619 1.234 567 1HB TYR 71 HB2 TYR 71 164.408 7.183 1.642 568 2HB TYR 71 HB1 TYR 71 165.891 8.121 1.558 569 HD1 TYR 71 HD1 TYR 71 164.541 9.049 -0.477 570 HD2 TYR 71 HD2 TYR 71 166.219 5.139 -0.343 571 HE1 TYR 71 HE1 TYR 71 164.479 8.938 -2.933 572 HE2 TYR 71 HE2 TYR 71 166.173 5.024 -2.788 573 HH TYR 71 HH TYR 71 166.165 6.715 -4.717 574 H THR 72 HN THR 72 165.549 6.156 4.446 575 HA THR 72 HA THR 72 167.661 7.904 5.252 576 HB THR 72 HB THR 72 165.283 7.423 6.345 577 HG1 THR 72 HG1 THR 72 165.991 8.830 7.720 578 1HG2 THR 72 HG21 THR 72 165.716 5.145 7.056 579 2HG2 THR 72 HG22 THR 72 165.494 6.209 8.445 580 3HG2 THR 72 HG23 THR 72 167.113 5.688 7.984 581 H ALA 73 HN ALA 73 167.084 4.434 5.356 582 HA ALA 73 HA ALA 73 169.226 3.649 6.965 583 1HB ALA 73 HB1 ALA 73 168.153 2.174 4.557 584 2HB ALA 73 HB2 ALA 73 167.428 2.140 6.165 585 3HB ALA 73 HB3 ALA 73 169.045 1.480 5.913 586 H ILE 74 HN ILE 74 169.070 4.182 3.464 587 HA ILE 74 HA ILE 74 171.802 3.603 2.960 588 HB ILE 74 HB ILE 74 171.013 5.498 1.022 589 1HG1 ILE 74 HG12 ILE 74 168.668 5.065 1.997 590 2HG1 ILE 74 HG11 ILE 74 168.873 4.903 0.260 591 1HG2 ILE 74 HG21 ILE 74 170.721 3.270 -0.325 592 2HG2 ILE 74 HG22 ILE 74 171.412 2.558 1.135 593 3HG2 ILE 74 HG23 ILE 74 172.305 3.794 0.246 594 1HD1 ILE 74 HD11 ILE 74 168.837 2.624 2.223 595 2HD1 ILE 74 HD12 ILE 74 168.974 2.493 0.470 596 3HD1 ILE 74 HD13 ILE 74 167.494 3.120 1.193 597 H ASN 75 HN ASN 75 170.050 6.466 3.919 598 HA ASN 75 HA ASN 75 172.155 8.329 3.492 599 1HB ASN 75 HB2 ASN 75 169.546 8.342 4.946 600 2HB ASN 75 HB1 ASN 75 170.708 9.614 5.304 601 1HD2 ASN 75 HD21 ASN 75 168.071 9.052 3.603 602 2HD2 ASN 75 HD22 ASN 75 168.342 10.051 2.221 603 H GLU 76 HN GLU 76 170.792 7.115 6.570 604 HA GLU 76 HA GLU 76 172.692 8.033 8.311 605 1HB GLU 76 HB2 GLU 76 170.537 6.482 8.601 606 2HB GLU 76 HB1 GLU 76 171.768 5.234 8.727 607 1HG GLU 76 HG2 GLU 76 172.832 6.892 10.454 608 2HG GLU 76 HG1 GLU 76 171.185 7.516 10.545 609 H LEU 77 HN LEU 77 172.943 5.370 6.073 610 HA LEU 77 HA LEU 77 175.288 4.192 7.166 611 1HB LEU 77 HB2 LEU 77 173.856 2.868 5.791 612 2HB LEU 77 HB1 LEU 77 173.969 4.010 4.466 613 HG LEU 77 HG LEU 77 176.441 2.621 5.425 614 1HD1 LEU 77 HD11 LEU 77 174.265 1.453 3.716 615 2HD1 LEU 77 HD12 LEU 77 175.035 0.757 5.141 616 3HD1 LEU 77 HD13 LEU 77 175.936 0.899 3.633 617 1HD2 LEU 77 HD21 LEU 77 176.596 2.762 2.750 618 2HD2 LEU 77 HD22 LEU 77 177.119 4.063 3.820 619 3HD2 LEU 77 HD23 LEU 77 175.530 4.133 3.059 620 H ILE 78 HN ILE 78 174.760 6.383 4.399 621 HA ILE 78 HA ILE 78 177.416 6.510 3.571 622 HB ILE 78 HB ILE 78 176.843 8.579 2.404 623 1HG1 ILE 78 HG12 ILE 78 174.052 8.428 3.471 624 2HG1 ILE 78 HG11 ILE 78 175.272 9.304 4.382 625 1HG2 ILE 78 HG21 ILE 78 176.246 6.761 1.141 626 2HG2 ILE 78 HG22 ILE 78 174.697 7.595 1.276 627 3HG2 ILE 78 HG23 ILE 78 175.044 6.207 2.308 628 1HD1 ILE 78 HD11 ILE 78 174.859 9.878 1.486 629 2HD1 ILE 78 HD12 ILE 78 175.515 10.916 2.751 630 3HD1 ILE 78 HD13 ILE 78 173.786 10.570 2.701 631 H ASN 79 HN ASN 79 175.753 8.444 6.042 632 HA ASN 79 HA ASN 79 177.920 10.258 6.378 633 1HB ASN 79 HB2 ASN 79 176.752 10.708 8.638 634 2HB ASN 79 HB1 ASN 79 175.901 11.118 7.155 635 1HD2 ASN 79 HD21 ASN 79 176.088 8.916 9.842 636 2HD2 ASN 79 HD22 ASN 79 174.515 8.231 9.644 637 H LYS 80 HN LYS 80 176.899 7.336 8.129 638 HA LYS 80 HA LYS 80 178.874 7.417 10.122 639 1HB LYS 80 HB2 LYS 80 176.939 5.933 10.265 640 2HB LYS 80 HB1 LYS 80 177.511 5.022 8.874 641 1HG LYS 80 HG2 LYS 80 178.578 3.671 10.264 642 2HG LYS 80 HG1 LYS 80 179.629 5.017 10.706 643 1HD LYS 80 HD2 LYS 80 178.752 4.233 12.741 644 2HD LYS 80 HD1 LYS 80 177.811 5.679 12.366 645 1HE LYS 80 HE2 LYS 80 176.327 3.938 13.127 646 2HE LYS 80 HE1 LYS 80 176.047 4.234 11.412 647 1HZ LYS 80 HZ1 LYS 80 177.264 2.280 10.852 648 2HZ LYS 80 HZ2 LYS 80 176.129 1.852 12.033 649 3HZ LYS 80 HZ3 LYS 80 177.756 2.044 12.455 650 H LEU 81 HN LEU 81 178.858 5.855 6.939 651 HA LEU 81 HA LEU 81 181.352 4.608 7.092 652 1HB LEU 81 HB2 LEU 81 179.489 4.404 5.319 653 2HB LEU 81 HB1 LEU 81 180.254 5.783 4.554 654 HG LEU 81 HG LEU 81 180.917 3.581 3.594 655 1HD1 LEU 81 HD11 LEU 81 182.963 4.367 3.061 656 2HD1 LEU 81 HD12 LEU 81 183.420 4.636 4.743 657 3HD1 LEU 81 HD13 LEU 81 182.389 5.801 3.912 658 1HD2 LEU 81 HD21 LEU 81 181.989 1.956 4.779 659 2HD2 LEU 81 HD22 LEU 81 180.985 2.624 6.064 660 3HD2 LEU 81 HD23 LEU 81 182.679 3.095 5.935 661 H GLU 82 HN GLU 82 180.494 7.830 5.843 662 HA GLU 82 HA GLU 82 182.958 8.652 4.926 663 1HB GLU 82 HB2 GLU 82 180.507 9.963 5.826 664 2HB GLU 82 HB1 GLU 82 181.941 10.947 6.078 665 1HG GLU 82 HG2 GLU 82 182.334 11.201 3.856 666 2HG GLU 82 HG1 GLU 82 181.620 9.644 3.438 667 H ARG 83 HN ARG 83 181.653 9.268 8.195 668 HA ARG 83 HA ARG 83 183.843 10.459 9.345 669 1HB ARG 83 HB2 ARG 83 181.466 9.780 10.296 670 2HB ARG 83 HB1 ARG 83 182.365 8.415 10.944 671 1HG ARG 83 HG2 ARG 83 182.669 9.787 12.694 672 2HG ARG 83 HG1 ARG 83 183.972 10.439 11.699 673 1HD ARG 83 HD2 ARG 83 181.249 11.548 11.307 674 2HD ARG 83 HD1 ARG 83 182.101 11.984 12.786 675 HE ARG 83 HE ARG 83 183.947 12.480 10.905 676 1HH1 ARG 83 HH11 ARG 83 180.588 13.392 11.169 677 2HH1 ARG 83 HH12 ARG 83 180.790 14.867 10.286 678 1HH2 ARG 83 HH21 ARG 83 184.215 14.421 9.747 679 2HH2 ARG 83 HH22 ARG 83 182.850 15.452 9.478 680 H GLN 84 HN GLN 84 183.222 7.002 8.937 681 HA GLN 84 HA GLN 84 185.451 6.045 10.354 682 1HB GLN 84 HB2 GLN 84 184.030 4.800 7.993 683 2HB GLN 84 HB1 GLN 84 185.120 3.961 9.084 684 1HG GLN 84 HG2 GLN 84 183.601 3.896 10.782 685 2HG GLN 84 HG1 GLN 84 182.769 5.353 10.243 686 1HE2 GLN 84 HE21 GLN 84 183.597 2.476 8.383 687 2HE2 GLN 84 HE22 GLN 84 181.972 2.023 8.015 688 H LEU 85 HN LEU 85 185.085 7.237 7.084 689 HA LEU 85 HA LEU 85 187.556 6.275 6.080 690 1HB LEU 85 HB2 LEU 85 185.353 7.489 5.000 691 2HB LEU 85 HB1 LEU 85 186.548 8.768 4.908 692 HG LEU 85 HG LEU 85 187.607 6.227 3.965 693 1HD1 LEU 85 HD11 LEU 85 185.368 7.401 2.337 694 2HD1 LEU 85 HD12 LEU 85 185.167 5.993 3.381 695 3HD1 LEU 85 HD13 LEU 85 186.291 5.933 2.022 696 1HD2 LEU 85 HD21 LEU 85 187.845 7.849 1.894 697 2HD2 LEU 85 HD22 LEU 85 188.874 8.011 3.317 698 3HD2 LEU 85 HD23 LEU 85 187.479 9.071 3.112 699 H ASN 86 HN ASN 86 186.667 9.670 6.736 700 HA ASN 86 HA ASN 86 189.157 10.781 6.640 701 1HB ASN 86 HB2 ASN 86 188.184 12.344 8.559 702 2HB ASN 86 HB1 ASN 86 187.592 12.421 6.904 703 1HD2 ASN 86 HD21 ASN 86 185.584 11.593 6.413 704 2HD2 ASN 86 HD22 ASN 86 184.416 11.227 7.626 705 H LYS 87 HN LYS 87 187.799 8.876 9.224 706 HA LYS 87 HA LYS 87 189.659 9.544 11.239 707 1HB LYS 87 HB2 LYS 87 187.442 8.327 11.510 708 2HB LYS 87 HB1 LYS 87 188.276 6.881 10.959 709 1HG LYS 87 HG2 LYS 87 189.224 8.492 13.309 710 2HG LYS 87 HG1 LYS 87 188.050 7.182 13.458 711 1HD LYS 87 HD2 LYS 87 190.113 6.108 11.927 712 2HD LYS 87 HD1 LYS 87 190.930 7.065 13.163 713 1HE LYS 87 HE2 LYS 87 190.375 5.632 14.791 714 2HE LYS 87 HE1 LYS 87 188.719 5.478 14.211 715 1HZ LYS 87 HZ1 LYS 87 189.276 3.749 12.815 716 2HZ LYS 87 HZ2 LYS 87 190.266 3.439 14.151 717 3HZ LYS 87 HZ3 LYS 87 190.917 4.157 12.765 718 H LEU 88 HN LEU 88 189.497 6.597 9.227 719 HA LEU 88 HA LEU 88 192.083 5.706 9.987 720 1HB LEU 88 HB2 LEU 88 190.683 4.886 7.461 721 2HB LEU 88 HB1 LEU 88 191.788 3.949 8.446 722 HG LEU 88 HG LEU 88 189.288 4.775 9.783 723 1HD1 LEU 88 HD11 LEU 88 188.979 3.896 7.225 724 2HD1 LEU 88 HD12 LEU 88 187.796 3.686 8.516 725 3HD1 LEU 88 HD13 LEU 88 188.924 2.386 8.133 726 1HD2 LEU 88 HD21 LEU 88 191.170 3.269 10.656 727 2HD2 LEU 88 HD22 LEU 88 190.498 2.039 9.584 728 3HD2 LEU 88 HD23 LEU 88 189.507 2.723 10.872 729 H GLN 89 HN GLN 89 191.014 8.028 7.718 730 HA GLN 89 HA GLN 89 193.376 7.822 6.043 731 1HB GLN 89 HB2 GLN 89 190.770 9.147 5.900 732 2HB GLN 89 HB1 GLN 89 192.091 10.153 5.323 733 1HG GLN 89 HG2 GLN 89 191.417 7.386 4.344 734 2HG GLN 89 HG1 GLN 89 191.059 8.899 3.512 735 1HE2 GLN 89 HE21 GLN 89 192.514 9.659 2.134 736 2HE2 GLN 89 HE22 GLN 89 194.141 9.100 1.977 737 H HIS 90 HN HIS 90 192.032 9.967 8.493 738 HA HIS 90 HA HIS 90 193.845 12.075 8.262 739 1HB HIS 90 HB2 HIS 90 191.973 11.090 10.321 740 2HB HIS 90 HB1 HIS 90 193.275 12.115 10.912 741 HD1 HIS 90 HD1 HIS 90 193.336 13.993 8.352 742 HD2 HIS 90 HD2 HIS 90 189.974 12.977 10.573 743 HE1 HIS 90 HE1 HIS 90 191.671 15.828 7.927 744 HE2 HIS 90 HE2 HIS 90 189.675 15.234 9.344 745 H LYS 91 HN LYS 91 193.922 9.973 11.117 746 HA LYS 91 HA LYS 91 196.671 10.431 11.573 747 1HB LYS 91 HB2 LYS 91 195.003 8.161 12.660 748 2HB LYS 91 HB1 LYS 91 196.483 8.809 13.352 749 1HG LYS 91 HG2 LYS 91 194.537 10.898 13.036 750 2HG LYS 91 HG1 LYS 91 193.853 9.548 13.943 751 1HD LYS 91 HD2 LYS 91 194.852 10.474 15.722 752 2HD LYS 91 HD1 LYS 91 196.341 9.797 15.060 753 1HE LYS 91 HE2 LYS 91 195.379 12.478 14.153 754 2HE LYS 91 HE1 LYS 91 196.231 12.321 15.689 755 1HZ LYS 91 HZ1 LYS 91 197.231 11.750 12.968 756 2HZ LYS 91 HZ2 LYS 91 197.990 11.107 14.336 757 3HZ LYS 91 HZ3 LYS 91 197.884 12.783 14.138 758 H GLY 92 HN GLY 92 194.918 7.833 9.969 759 1HA GLY 92 HA2 GLY 92 196.970 5.955 9.765 760 2HA GLY 92 HA1 GLY 92 195.639 6.115 8.631 761 H GLU 93 HN GLU 93 198.967 6.552 9.155 762 HA GLU 93 HA GLU 93 199.699 8.510 7.349 763 1HB GLU 93 HB2 GLU 93 201.116 6.999 8.957 764 2HB GLU 93 HB1 GLU 93 201.303 5.989 7.530 765 1HG GLU 93 HG2 GLU 93 202.569 7.540 6.425 766 2HG GLU 93 HG1 GLU 93 201.872 8.898 7.306 767 H ALA 94 HN ALA 94 200.048 8.619 5.172 768 HA ALA 94 HA ALA 94 198.624 6.718 3.543 769 1HB ALA 94 HB1 ALA 94 200.248 8.778 2.207 770 2HB ALA 94 HB2 ALA 94 199.025 9.378 3.326 771 3HB ALA 94 HB3 ALA 94 198.555 8.339 1.981 772 H ARG 95 HN ARG 95 199.559 5.733 1.614 773 HA ARG 95 HA ARG 95 202.321 5.510 1.161 774 1HB ARG 95 HB2 ARG 95 202.353 4.338 3.306 775 2HB ARG 95 HB1 ARG 95 201.108 3.232 2.737 776 1HG ARG 95 HG2 ARG 95 202.699 2.497 0.953 777 2HG ARG 95 HG1 ARG 95 203.940 3.464 1.751 778 1HD ARG 95 HD2 ARG 95 203.811 0.962 2.305 779 2HD ARG 95 HD1 ARG 95 203.956 2.100 3.641 780 HE ARG 95 HE ARG 95 201.641 0.475 2.960 781 1HH1 ARG 95 HH11 ARG 95 202.951 3.064 4.910 782 2HH1 ARG 95 HH12 ARG 95 201.713 2.948 6.113 783 1HH2 ARG 95 HH21 ARG 95 200.012 0.330 4.543 784 2HH2 ARG 95 HH22 ARG 95 200.046 1.398 5.906 785 H ARG 96 HN ARG 96 201.912 5.522 -0.990 786 HA ARG 96 HA ARG 96 199.841 4.015 -2.219 787 1HB ARG 96 HB2 ARG 96 201.330 6.119 -3.014 788 2HB ARG 96 HB1 ARG 96 202.170 4.826 -3.861 789 1HG ARG 96 HG2 ARG 96 199.647 4.197 -4.498 790 2HG ARG 96 HG1 ARG 96 199.474 5.941 -4.293 791 1HD ARG 96 HD2 ARG 96 199.988 5.413 -6.604 792 2HD ARG 96 HD1 ARG 96 201.324 6.298 -5.866 793 HE ARG 96 HE ARG 96 202.005 3.689 -5.532 794 1HH1 ARG 96 HH11 ARG 96 201.113 5.626 -8.294 795 2HH1 ARG 96 HH12 ARG 96 202.074 4.711 -9.405 796 1HH2 ARG 96 HH21 ARG 96 203.272 2.484 -6.993 797 2HH2 ARG 96 HH22 ARG 96 203.300 2.927 -8.668 798 H ALA 97 HN ALA 97 200.209 2.352 -3.894 799 HA ALA 97 HA ALA 97 202.446 0.573 -3.176 800 1HB ALA 97 HB1 ALA 97 199.853 0.023 -2.659 801 2HB ALA 97 HB2 ALA 97 201.082 -1.206 -2.958 802 3HB ALA 97 HB3 ALA 97 200.020 -0.686 -4.265 803 H ALA 98 HN ALA 98 202.531 -1.254 -5.000 804 HA ALA 98 HA ALA 98 203.073 0.204 -7.461 805 1HB ALA 98 HB1 ALA 98 203.657 -2.681 -7.337 806 2HB ALA 98 HB2 ALA 98 204.512 -1.672 -6.171 807 3HB ALA 98 HB3 ALA 98 204.657 -1.340 -7.896 808 H THR 99 HN THR 99 202.472 -0.717 -9.552 809 HA THR 99 HA THR 99 199.695 -1.456 -9.582 810 HB THR 99 HB THR 99 200.629 0.098 -11.245 811 HG1 THR 99 HG1 THR 99 198.812 -1.179 -11.811 812 1HG2 THR 99 HG21 THR 99 202.061 -2.268 -12.423 813 2HG2 THR 99 HG22 THR 99 202.845 -0.981 -11.507 814 3HG2 THR 99 HG23 THR 99 202.039 -0.613 -13.032 815 H SER 100 HN SER 100 199.277 -3.166 -11.560 816 HA SER 100 HA SER 100 200.336 -5.665 -10.494 817 1HB SER 100 HB2 SER 100 198.186 -5.322 -12.592 818 2HB SER 100 HB1 SER 100 198.516 -6.753 -11.616 819 HG SER 100 HG SER 100 197.504 -4.255 -10.734 820 H VAL 101 HN VAL 101 202.441 -4.825 -11.569 821 HA VAL 101 HA VAL 101 202.574 -5.359 -14.424 822 HB VAL 101 HB VAL 101 203.832 -3.456 -13.494 823 1HG1 VAL 101 HG11 VAL 101 205.934 -5.138 -12.317 824 2HG1 VAL 101 HG12 VAL 101 204.425 -5.075 -11.404 825 3HG1 VAL 101 HG13 VAL 101 205.288 -3.585 -11.786 826 1HG2 VAL 101 HG21 VAL 101 204.782 -4.082 -15.483 827 2HG2 VAL 101 HG22 VAL 101 205.210 -5.689 -14.901 828 3HG2 VAL 101 HG23 VAL 101 206.157 -4.290 -14.400 829 H LYS 102 HN LYS 102 203.483 -6.842 -11.389 830 HA LYS 102 HA LYS 102 205.274 -8.775 -12.355 831 1HB LYS 102 HB2 LYS 102 203.380 -9.021 -10.010 832 2HB LYS 102 HB1 LYS 102 204.826 -9.982 -10.282 833 1HG LYS 102 HG2 LYS 102 204.862 -6.997 -9.927 834 2HG LYS 102 HG1 LYS 102 205.063 -8.147 -8.603 835 1HD LYS 102 HD2 LYS 102 206.868 -9.079 -10.418 836 2HD LYS 102 HD1 LYS 102 206.943 -7.340 -10.707 837 1HE LYS 102 HE2 LYS 102 206.946 -7.496 -7.968 838 2HE LYS 102 HE1 LYS 102 207.888 -8.912 -8.434 839 1HZ LYS 102 HZ1 LYS 102 208.490 -6.351 -9.726 840 2HZ LYS 102 HZ2 LYS 102 209.522 -7.637 -9.351 841 3HZ LYS 102 HZ3 LYS 102 209.008 -6.584 -8.132 842 H ASP 103 HN ASP 103 201.757 -8.864 -11.926 843 HA ASP 103 HA ASP 103 201.572 -11.541 -12.996 844 1HB ASP 103 HB2 ASP 103 200.044 -10.510 -11.205 845 2HB ASP 103 HB1 ASP 103 199.260 -9.665 -12.536 846 H ALA 104 HN ALA 104 201.589 -11.975 -15.092 847 HA ALA 104 HA ALA 104 201.356 -9.923 -17.070 848 1HB ALA 104 HB1 ALA 104 202.606 -11.392 -18.166 849 2HB ALA 104 HB2 ALA 104 201.192 -12.433 -18.330 850 3HB ALA 104 HB3 ALA 104 202.279 -12.631 -16.955 851 H ASN 105 HN ASN 105 199.750 -9.607 -18.594 852 HA ASN 105 HA ASN 105 197.130 -10.685 -17.844 853 1HB ASN 105 HB2 ASN 105 196.649 -8.772 -19.785 854 2HB ASN 105 HB1 ASN 105 196.538 -8.529 -18.047 855 1HD2 ASN 105 HD21 ASN 105 198.661 -7.957 -16.988 856 2HD2 ASN 105 HD22 ASN 105 199.656 -6.815 -17.820 857 H PHE 106 HN PHE 106 199.283 -12.011 -19.527 858 HA PHE 106 HA PHE 106 198.216 -12.175 -22.177 859 1HB PHE 106 HB2 PHE 106 200.355 -13.615 -20.641 860 2HB PHE 106 HB1 PHE 106 199.809 -14.264 -22.181 861 HD1 PHE 106 HD1 PHE 106 200.507 -10.817 -20.939 862 HD2 PHE 106 HD2 PHE 106 201.317 -13.819 -23.845 863 HE1 PHE 106 HE1 PHE 106 201.998 -9.260 -22.125 864 HE2 PHE 106 HE2 PHE 106 202.812 -12.268 -25.035 865 HZ PHE 106 HZ PHE 106 203.153 -9.985 -24.176 866 H VAL 107 HN VAL 107 198.371 -15.065 -22.504 867 HA VAL 107 HA VAL 107 195.680 -15.714 -21.902 868 HB VAL 107 HB VAL 107 197.876 -17.605 -22.754 869 1HG1 VAL 107 HG11 VAL 107 195.629 -18.547 -23.890 870 2HG1 VAL 107 HG12 VAL 107 194.952 -17.839 -22.423 871 3HG1 VAL 107 HG13 VAL 107 196.213 -19.068 -22.309 872 1HG2 VAL 107 HG21 VAL 107 197.371 -15.467 -24.167 873 2HG2 VAL 107 HG22 VAL 107 195.933 -16.367 -24.653 874 3HG2 VAL 107 HG23 VAL 107 197.537 -17.033 -24.958 875 H GLU 108 HN GLU 108 196.305 -15.132 -19.480 876 HA GLU 108 HA GLU 108 196.643 -17.702 -18.109 877 1HB GLU 108 HB2 GLU 108 198.159 -15.202 -17.732 878 2HB GLU 108 HB1 GLU 108 197.612 -15.976 -16.252 879 1HG GLU 108 HG2 GLU 108 199.262 -17.435 -16.369 880 2HG GLU 108 HG1 GLU 108 198.717 -17.965 -17.960 881 H GLU 109 HN GLU 109 194.798 -14.919 -18.557 882 HA GLU 109 HA GLU 109 193.449 -15.142 -15.977 883 1HB GLU 109 HB2 GLU 109 192.150 -13.136 -16.884 884 2HB GLU 109 HB1 GLU 109 193.852 -12.889 -16.513 885 1HG GLU 109 HG2 GLU 109 194.430 -12.604 -18.689 886 2HG GLU 109 HG1 GLU 109 193.165 -13.677 -19.283 887 H VAL 110 HN VAL 110 191.333 -15.767 -15.747 888 HA VAL 110 HA VAL 110 189.359 -16.797 -16.225 889 HB VAL 110 HB VAL 110 189.791 -15.831 -19.055 890 1HG1 VAL 110 HG11 VAL 110 187.100 -15.830 -18.572 891 2HG1 VAL 110 HG12 VAL 110 187.634 -17.266 -17.700 892 3HG1 VAL 110 HG13 VAL 110 187.981 -17.099 -19.421 893 1HG2 VAL 110 HG21 VAL 110 189.887 -13.908 -17.677 894 2HG2 VAL 110 HG22 VAL 110 188.559 -14.478 -16.666 895 3HG2 VAL 110 HG23 VAL 110 188.248 -13.967 -18.324 896 H GLU 111 HN GLU 111 188.914 -18.898 -16.499 897 HA GLU 111 HA GLU 111 190.810 -20.508 -18.033 898 1HB GLU 111 HB2 GLU 111 189.488 -20.853 -15.560 899 2HB GLU 111 HB1 GLU 111 188.839 -22.077 -16.645 900 1HG GLU 111 HG2 GLU 111 191.397 -22.432 -17.194 901 2HG GLU 111 HG1 GLU 111 191.585 -21.742 -15.582 902 H GLU 112 HN GLU 112 189.062 -19.015 -19.582 903 HA GLU 112 HA GLU 112 187.679 -19.199 -21.375 904 1HB GLU 112 HB2 GLU 112 189.205 -21.247 -21.700 905 2HB GLU 112 HB1 GLU 112 187.842 -22.190 -21.109 906 1HG GLU 112 HG2 GLU 112 186.976 -22.205 -23.138 907 2HG GLU 112 HG1 GLU 112 186.850 -20.446 -23.093 908 H GLU 113 HN GLU 113 186.645 -19.361 -18.553 909 HA GLU 113 HA GLU 113 184.160 -20.857 -18.925 910 1HB GLU 113 HB2 GLU 113 185.065 -19.346 -16.478 911 2HB GLU 113 HB1 GLU 113 183.796 -20.561 -16.576 912 1HG GLU 113 HG2 GLU 113 185.247 -22.181 -16.190 913 2HG GLU 113 HG1 GLU 113 186.248 -21.659 -17.545 Start of MODEL 26 1 1H MET 1 HT1 MET 1 186.811 0.704 -6.682 2 2H MET 1 HT2 MET 1 186.525 -0.975 -6.886 3 3H MET 1 HT3 MET 1 185.282 0.040 -6.279 4 HA MET 1 HA MET 1 185.415 1.276 -8.403 5 1HB MET 1 HB2 MET 1 187.622 0.439 -9.052 6 2HB MET 1 HB1 MET 1 186.995 -1.202 -9.126 7 1HG MET 1 HG2 MET 1 187.246 -0.178 -11.339 8 2HG MET 1 HG1 MET 1 185.580 -0.630 -10.984 9 1HE MET 1 HE1 MET 1 187.148 1.122 -12.983 10 2HE MET 1 HE2 MET 1 187.471 2.780 -12.477 11 3HE MET 1 HE3 MET 1 185.994 2.399 -13.362 12 H THR 2 HN THR 2 185.008 -2.080 -7.439 13 HA THR 2 HA THR 2 182.902 -2.638 -9.289 14 HB THR 2 HB THR 2 183.034 -4.221 -6.798 15 HG1 THR 2 HG1 THR 2 185.212 -4.254 -8.609 16 1HG2 THR 2 HG21 THR 2 182.182 -4.660 -9.396 17 2HG2 THR 2 HG22 THR 2 182.340 -5.859 -8.113 18 3HG2 THR 2 HG23 THR 2 183.667 -5.600 -9.246 19 H MET 3 HN MET 3 181.072 -3.917 -7.448 20 HA MET 3 HA MET 3 180.052 -2.068 -5.566 21 1HB MET 3 HB2 MET 3 177.916 -1.572 -6.852 22 2HB MET 3 HB1 MET 3 179.355 -0.701 -7.363 23 1HG MET 3 HG2 MET 3 179.400 -1.685 -9.381 24 2HG MET 3 HG1 MET 3 178.852 -3.238 -8.756 25 1HE MET 3 HE1 MET 3 176.144 -0.181 -7.899 26 2HE MET 3 HE2 MET 3 176.293 0.421 -9.549 27 3HE MET 3 HE3 MET 3 177.725 0.281 -8.530 28 H ASN 4 HN ASN 4 180.538 -4.545 -5.060 29 HA ASN 4 HA ASN 4 178.500 -6.418 -5.702 30 1HB ASN 4 HB2 ASN 4 180.822 -6.336 -3.841 31 2HB ASN 4 HB1 ASN 4 179.564 -7.528 -3.524 32 1HD2 ASN 4 HD21 ASN 4 178.819 -8.591 -5.718 33 2HD2 ASN 4 HD22 ASN 4 180.119 -9.219 -6.665 34 H ILE 5 HN ILE 5 176.496 -6.468 -4.963 35 HA ILE 5 HA ILE 5 175.969 -5.519 -2.227 36 HB ILE 5 HB ILE 5 173.981 -5.166 -4.457 37 1HG1 ILE 5 HG12 ILE 5 175.355 -2.745 -3.502 38 2HG1 ILE 5 HG11 ILE 5 176.381 -3.831 -4.430 39 1HG2 ILE 5 HG21 ILE 5 172.675 -4.130 -2.941 40 2HG2 ILE 5 HG22 ILE 5 174.042 -3.390 -2.108 41 3HG2 ILE 5 HG23 ILE 5 173.625 -5.074 -1.794 42 1HD1 ILE 5 HD11 ILE 5 174.560 -3.808 -6.190 43 2HD1 ILE 5 HD12 ILE 5 175.488 -2.323 -5.979 44 3HD1 ILE 5 HD13 ILE 5 173.866 -2.455 -5.297 45 H THR 6 HN THR 6 175.696 -7.462 -1.231 46 HA THR 6 HA THR 6 173.663 -9.257 -2.380 47 HB THR 6 HB THR 6 176.070 -10.099 -2.300 48 HG1 THR 6 HG1 THR 6 175.013 -11.880 -2.459 49 1HG2 THR 6 HG21 THR 6 176.964 -10.953 -0.299 50 2HG2 THR 6 HG22 THR 6 175.493 -10.590 0.601 51 3HG2 THR 6 HG23 THR 6 176.523 -9.278 0.030 52 H SER 7 HN SER 7 171.837 -9.151 -1.288 53 HA SER 7 HA SER 7 171.850 -8.403 1.529 54 1HB SER 7 HB2 SER 7 169.631 -8.730 -0.494 55 2HB SER 7 HB1 SER 7 169.335 -8.389 1.210 56 HG SER 7 HG SER 7 169.403 -6.447 0.126 57 H LYS 8 HN LYS 8 170.658 -9.636 3.122 58 HA LYS 8 HA LYS 8 171.186 -12.442 2.890 59 1HB LYS 8 HB2 LYS 8 169.904 -10.782 5.058 60 2HB LYS 8 HB1 LYS 8 170.133 -12.520 5.190 61 1HG LYS 8 HG2 LYS 8 172.533 -12.247 5.009 62 2HG LYS 8 HG1 LYS 8 172.337 -10.508 4.785 63 1HD LYS 8 HD2 LYS 8 170.940 -11.262 7.146 64 2HD LYS 8 HD1 LYS 8 172.555 -11.973 7.211 65 1HE LYS 8 HE2 LYS 8 173.118 -9.470 6.325 66 2HE LYS 8 HE1 LYS 8 171.714 -9.159 7.346 67 1HZ LYS 8 HZ1 LYS 8 173.322 -9.051 8.913 68 2HZ LYS 8 HZ2 LYS 8 174.383 -10.074 8.082 69 3HZ LYS 8 HZ3 LYS 8 173.091 -10.726 8.956 70 H GLN 9 HN GLN 9 168.160 -11.154 4.205 71 HA GLN 9 HA GLN 9 166.713 -13.230 2.758 72 1HB GLN 9 HB2 GLN 9 165.510 -11.298 4.727 73 2HB GLN 9 HB1 GLN 9 164.941 -12.900 4.281 74 1HG GLN 9 HG2 GLN 9 166.067 -13.810 5.948 75 2HG GLN 9 HG1 GLN 9 167.574 -13.117 5.358 76 1HE2 GLN 9 HE21 GLN 9 167.018 -10.421 5.666 77 2HE2 GLN 9 HE22 GLN 9 166.890 -10.060 7.350 78 H MET 10 HN MET 10 166.506 -9.718 3.277 79 HA MET 10 HA MET 10 164.472 -9.345 1.310 80 1HB MET 10 HB2 MET 10 164.758 -7.807 3.198 81 2HB MET 10 HB1 MET 10 166.343 -7.347 2.595 82 1HG MET 10 HG2 MET 10 164.748 -5.646 2.041 83 2HG MET 10 HG1 MET 10 165.283 -6.447 0.565 84 1HE MET 10 HE1 MET 10 161.632 -5.781 2.627 85 2HE MET 10 HE2 MET 10 161.493 -5.079 1.016 86 3HE MET 10 HE3 MET 10 162.915 -4.743 2.005 87 H GLU 11 HN GLU 11 164.720 -8.060 -0.652 88 HA GLU 11 HA GLU 11 167.252 -8.681 -2.001 89 1HB GLU 11 HB2 GLU 11 165.865 -8.198 -4.094 90 2HB GLU 11 HB1 GLU 11 165.476 -9.659 -3.196 91 1HG GLU 11 HG2 GLU 11 163.429 -8.931 -2.631 92 2HG GLU 11 HG1 GLU 11 163.967 -7.266 -2.406 93 H ILE 12 HN ILE 12 167.528 -7.016 -3.972 94 HA ILE 12 HA ILE 12 167.699 -4.386 -2.683 95 HB ILE 12 HB ILE 12 169.048 -4.679 -5.273 96 1HG1 ILE 12 HG12 ILE 12 169.442 -6.947 -4.502 97 2HG1 ILE 12 HG11 ILE 12 170.927 -6.015 -4.345 98 1HG2 ILE 12 HG21 ILE 12 169.173 -2.960 -3.194 99 2HG2 ILE 12 HG22 ILE 12 170.455 -3.167 -4.388 100 3HG2 ILE 12 HG23 ILE 12 170.548 -4.004 -2.837 101 1HD1 ILE 12 HD11 ILE 12 169.677 -7.551 -2.394 102 2HD1 ILE 12 HD12 ILE 12 169.388 -5.876 -1.923 103 3HD1 ILE 12 HD13 ILE 12 171.037 -6.449 -2.181 104 H THR 13 HN THR 13 166.513 -2.722 -3.353 105 HA THR 13 HA THR 13 164.796 -3.096 -5.690 106 HB THR 13 HB THR 13 163.482 -1.253 -4.816 107 HG1 THR 13 HG1 THR 13 165.635 -0.974 -3.012 108 1HG2 THR 13 HG21 THR 13 163.618 -3.646 -3.586 109 2HG2 THR 13 HG22 THR 13 162.491 -2.362 -3.146 110 3HG2 THR 13 HG23 THR 13 163.994 -2.565 -2.244 111 HA PRO 14 HA PRO 14 166.891 -0.389 -8.449 112 1HB PRO 14 HB2 PRO 14 164.790 1.299 -9.185 113 2HB PRO 14 HB1 PRO 14 165.195 -0.239 -9.948 114 1HG PRO 14 HG2 PRO 14 163.126 0.370 -7.887 115 2HG PRO 14 HG1 PRO 14 163.055 -0.760 -9.252 116 1HD PRO 14 HD2 PRO 14 163.429 -1.628 -6.748 117 2HD PRO 14 HD1 PRO 14 164.262 -2.393 -8.119 118 H ALA 15 HN ALA 15 164.806 1.085 -6.019 119 HA ALA 15 HA ALA 15 165.870 3.702 -6.197 120 1HB ALA 15 HB1 ALA 15 163.700 2.841 -5.053 121 2HB ALA 15 HB2 ALA 15 164.562 4.215 -4.360 122 3HB ALA 15 HB3 ALA 15 164.745 2.610 -3.651 123 H ILE 16 HN ILE 16 166.545 1.009 -3.969 124 HA ILE 16 HA ILE 16 168.514 2.306 -2.454 125 HB ILE 16 HB ILE 16 168.217 -0.646 -3.031 126 1HG1 ILE 16 HG12 ILE 16 167.331 0.909 -0.598 127 2HG1 ILE 16 HG11 ILE 16 166.268 0.573 -1.961 128 1HG2 ILE 16 HG21 ILE 16 169.370 -0.230 -0.503 129 2HG2 ILE 16 HG22 ILE 16 170.260 0.797 -1.624 130 3HG2 ILE 16 HG23 ILE 16 170.128 -0.932 -1.932 131 1HD1 ILE 16 HD11 ILE 16 166.927 -1.078 0.271 132 2HD1 ILE 16 HD12 ILE 16 167.408 -1.882 -1.223 133 3HD1 ILE 16 HD13 ILE 16 165.741 -1.348 -1.006 134 H ARG 17 HN ARG 17 168.888 0.057 -5.204 135 HA ARG 17 HA ARG 17 171.652 0.089 -5.360 136 1HB ARG 17 HB2 ARG 17 171.436 -0.964 -7.394 137 2HB ARG 17 HB1 ARG 17 169.839 -1.247 -6.718 138 1HG ARG 17 HG2 ARG 17 169.290 -0.570 -8.828 139 2HG ARG 17 HG1 ARG 17 169.257 0.978 -7.982 140 1HD ARG 17 HD2 ARG 17 170.884 1.784 -9.265 141 2HD ARG 17 HD1 ARG 17 171.919 0.402 -8.904 142 HE ARG 17 HE ARG 17 171.396 -0.454 -10.950 143 1HH1 ARG 17 HH11 ARG 17 168.971 1.903 -10.095 144 2HH1 ARG 17 HH12 ARG 17 168.171 1.823 -11.629 145 1HH2 ARG 17 HH21 ARG 17 170.346 -0.561 -12.970 146 2HH2 ARG 17 HH22 ARG 17 168.952 0.424 -13.261 147 H GLN 18 HN GLN 18 169.322 2.431 -6.538 148 HA GLN 18 HA GLN 18 171.127 3.950 -8.113 149 1HB GLN 18 HB2 GLN 18 168.542 3.981 -8.102 150 2HB GLN 18 HB1 GLN 18 168.703 5.101 -6.756 151 1HG GLN 18 HG2 GLN 18 168.395 6.284 -8.850 152 2HG GLN 18 HG1 GLN 18 169.983 6.622 -8.159 153 1HE2 GLN 18 HE21 GLN 18 168.240 5.250 -10.786 154 2HE2 GLN 18 HE22 GLN 18 169.601 4.874 -11.782 155 H HIS 19 HN HIS 19 169.994 4.236 -4.768 156 HA HIS 19 HA HIS 19 171.313 6.627 -4.129 157 1HB HIS 19 HB2 HIS 19 169.857 4.566 -2.725 158 2HB HIS 19 HB1 HIS 19 171.269 5.051 -1.793 159 HD1 HIS 19 HD1 HIS 19 168.889 7.177 -3.866 160 HD2 HIS 19 HD2 HIS 19 170.295 6.801 0.025 161 HE1 HIS 19 HE1 HIS 19 167.873 9.095 -2.596 162 HE2 HIS 19 HE2 HIS 19 168.679 8.804 -0.226 163 H VAL 20 HN VAL 20 172.403 3.296 -4.192 164 HA VAL 20 HA VAL 20 174.883 3.796 -2.853 165 HB VAL 20 HB VAL 20 174.371 1.463 -4.684 166 1HG1 VAL 20 HG11 VAL 20 175.789 0.309 -2.976 167 2HG1 VAL 20 HG12 VAL 20 176.056 1.881 -2.221 168 3HG1 VAL 20 HG13 VAL 20 176.612 1.588 -3.870 169 1HG2 VAL 20 HG21 VAL 20 173.700 0.537 -2.204 170 2HG2 VAL 20 HG22 VAL 20 172.550 0.999 -3.459 171 3HG2 VAL 20 HG23 VAL 20 172.988 2.150 -2.197 172 H ALA 21 HN ALA 21 173.918 3.345 -6.242 173 HA ALA 21 HA ALA 21 176.456 3.511 -7.399 174 1HB ALA 21 HB1 ALA 21 175.362 3.846 -9.464 175 2HB ALA 21 HB2 ALA 21 173.946 4.554 -8.687 176 3HB ALA 21 HB3 ALA 21 174.282 2.833 -8.506 177 H ASP 22 HN ASP 22 174.183 6.036 -6.457 178 HA ASP 22 HA ASP 22 175.581 8.194 -7.641 179 1HB ASP 22 HB2 ASP 22 173.210 8.326 -6.958 180 2HB ASP 22 HB1 ASP 22 173.702 8.224 -5.269 181 H ARG 23 HN ARG 23 175.477 6.988 -4.293 182 HA ARG 23 HA ARG 23 177.389 8.808 -3.289 183 1HB ARG 23 HB2 ARG 23 175.903 6.513 -2.308 184 2HB ARG 23 HB1 ARG 23 177.547 6.532 -1.684 185 1HG ARG 23 HG2 ARG 23 176.585 7.800 -0.087 186 2HG ARG 23 HG1 ARG 23 176.913 9.085 -1.251 187 1HD ARG 23 HD2 ARG 23 174.679 9.065 -2.039 188 2HD ARG 23 HD1 ARG 23 174.321 7.559 -1.196 189 HE ARG 23 HE ARG 23 175.065 9.440 0.718 190 1HH1 ARG 23 HH11 ARG 23 172.495 8.931 -1.587 191 2HH1 ARG 23 HH12 ARG 23 171.314 9.778 -0.644 192 1HH2 ARG 23 HH21 ARG 23 173.513 10.554 1.959 193 2HH2 ARG 23 HH22 ARG 23 171.892 10.699 1.368 194 H LEU 24 HN LEU 24 177.668 5.431 -4.365 195 HA LEU 24 HA LEU 24 180.402 5.113 -3.861 196 1HB LEU 24 HB2 LEU 24 178.531 3.422 -4.615 197 2HB LEU 24 HB1 LEU 24 179.128 3.799 -6.220 198 HG LEU 24 HG LEU 24 181.425 3.238 -4.731 199 1HD1 LEU 24 HD11 LEU 24 181.055 1.177 -3.630 200 2HD1 LEU 24 HD12 LEU 24 179.395 1.078 -4.220 201 3HD1 LEU 24 HD13 LEU 24 179.835 2.295 -3.020 202 1HD2 LEU 24 HD21 LEU 24 179.818 1.817 -6.810 203 2HD2 LEU 24 HD22 LEU 24 181.227 1.032 -6.097 204 3HD2 LEU 24 HD23 LEU 24 181.407 2.570 -6.941 205 H ALA 25 HN ALA 25 178.697 6.573 -6.545 206 HA ALA 25 HA ALA 25 180.846 6.693 -8.369 207 1HB ALA 25 HB1 ALA 25 178.325 8.306 -8.089 208 2HB ALA 25 HB2 ALA 25 178.687 7.026 -9.248 209 3HB ALA 25 HB3 ALA 25 179.493 8.588 -9.380 210 H LYS 26 HN LYS 26 179.491 9.271 -6.302 211 HA LYS 26 HA LYS 26 181.567 11.108 -6.795 212 1HB LYS 26 HB2 LYS 26 180.660 12.388 -4.954 213 2HB LYS 26 HB1 LYS 26 179.340 11.732 -5.912 214 1HG LYS 26 HG2 LYS 26 178.506 10.633 -4.173 215 2HG LYS 26 HG1 LYS 26 180.078 9.946 -3.762 216 1HD LYS 26 HD2 LYS 26 179.812 11.213 -1.903 217 2HD LYS 26 HD1 LYS 26 180.467 12.475 -2.948 218 1HE LYS 26 HE2 LYS 26 177.518 11.943 -2.729 219 2HE LYS 26 HE1 LYS 26 178.359 13.030 -1.625 220 1HZ LYS 26 HZ1 LYS 26 177.699 14.487 -3.228 221 2HZ LYS 26 HZ2 LYS 26 177.791 13.356 -4.481 222 3HZ LYS 26 HZ3 LYS 26 179.205 14.052 -3.866 223 H LEU 27 HN LEU 27 181.371 8.363 -4.726 224 HA LEU 27 HA LEU 27 183.222 9.086 -2.745 225 1HB LEU 27 HB2 LEU 27 181.642 6.934 -3.180 226 2HB LEU 27 HB1 LEU 27 183.203 6.265 -3.619 227 HG LEU 27 HG LEU 27 182.795 7.675 -0.997 228 1HD1 LEU 27 HD11 LEU 27 181.364 6.072 -0.407 229 2HD1 LEU 27 HD12 LEU 27 182.760 4.995 -0.409 230 3HD1 LEU 27 HD13 LEU 27 181.725 5.100 -1.834 231 1HD2 LEU 27 HD21 LEU 27 184.975 6.375 -2.336 232 2HD2 LEU 27 HD22 LEU 27 184.603 5.534 -0.830 233 3HD2 LEU 27 HD23 LEU 27 184.968 7.260 -0.810 234 H GLU 28 HN GLU 28 183.676 8.421 -6.057 235 HA GLU 28 HA GLU 28 186.217 7.270 -6.094 236 1HB GLU 28 HB2 GLU 28 184.915 7.381 -8.105 237 2HB GLU 28 HB1 GLU 28 184.857 9.135 -8.039 238 1HG GLU 28 HG2 GLU 28 187.535 7.892 -8.171 239 2HG GLU 28 HG1 GLU 28 186.530 7.788 -9.615 240 H LYS 29 HN LYS 29 185.271 10.430 -5.139 241 HA LYS 29 HA LYS 29 187.996 11.446 -5.496 242 1HB LYS 29 HB2 LYS 29 187.114 13.645 -5.188 243 2HB LYS 29 HB1 LYS 29 186.060 12.804 -6.316 244 1HG LYS 29 HG2 LYS 29 184.344 13.381 -5.046 245 2HG LYS 29 HG1 LYS 29 184.975 12.320 -3.785 246 1HD LYS 29 HD2 LYS 29 184.999 14.219 -2.566 247 2HD LYS 29 HD1 LYS 29 186.524 14.502 -3.409 248 1HE LYS 29 HE2 LYS 29 185.699 16.288 -4.453 249 2HE LYS 29 HE1 LYS 29 184.281 15.391 -4.994 250 1HZ LYS 29 HZ1 LYS 29 183.074 16.017 -3.157 251 2HZ LYS 29 HZ2 LYS 29 183.998 17.408 -3.425 252 3HZ LYS 29 HZ3 LYS 29 184.441 16.321 -2.207 253 H TRP 30 HN TRP 30 187.111 9.508 -3.373 254 HA TRP 30 HA TRP 30 187.493 11.100 -0.953 255 1HB TRP 30 HB2 TRP 30 186.292 8.525 -1.563 256 2HB TRP 30 HB1 TRP 30 187.409 8.412 -0.210 257 HD1 TRP 30 HD1 TRP 30 183.920 9.318 -0.994 258 HE1 TRP 30 HE1 TRP 30 182.793 10.436 1.031 259 HE3 TRP 30 HE3 TRP 30 188.072 10.220 1.846 260 HZ2 TRP 30 HZ2 TRP 30 183.562 11.550 3.505 261 HZ3 TRP 30 HZ3 TRP 30 187.789 11.314 4.033 262 HH2 TRP 30 HH2 TRP 30 185.580 11.966 4.842 263 H GLN 31 HN GLN 31 189.534 10.176 -3.174 264 HA GLN 31 HA GLN 31 191.729 9.647 -3.299 265 1HB GLN 31 HB2 GLN 31 192.965 10.938 -1.954 266 2HB GLN 31 HB1 GLN 31 191.432 11.445 -1.271 267 1HG GLN 31 HG2 GLN 31 191.700 9.601 0.420 268 2HG GLN 31 HG1 GLN 31 193.340 9.392 -0.190 269 1HE2 GLN 31 HE21 GLN 31 191.323 12.218 0.550 270 2HE2 GLN 31 HE22 GLN 31 192.470 12.977 1.593 271 H THR 32 HN THR 32 189.670 7.728 -1.768 272 HA THR 32 HA THR 32 191.514 5.984 -0.403 273 HB THR 32 HB THR 32 189.287 6.118 0.484 274 HG1 THR 32 HG1 THR 32 190.290 4.067 0.553 275 1HG2 THR 32 HG21 THR 32 187.304 5.684 -0.602 276 2HG2 THR 32 HG22 THR 32 188.094 4.829 -1.925 277 3HG2 THR 32 HG23 THR 32 188.210 6.583 -1.816 278 H HIS 33 HN HIS 33 189.411 5.573 -3.248 279 HA HIS 33 HA HIS 33 189.900 4.685 -5.296 280 1HB HIS 33 HB2 HIS 33 192.048 4.568 -5.834 281 2HB HIS 33 HB1 HIS 33 192.502 4.632 -4.146 282 HD1 HIS 33 HD1 HIS 33 193.346 2.778 -6.898 283 HD2 HIS 33 HD2 HIS 33 191.979 1.663 -3.142 284 HE1 HIS 33 HE1 HIS 33 194.084 0.393 -6.597 285 HE2 HIS 33 HE2 HIS 33 193.322 -0.233 -4.279 286 H LEU 34 HN LEU 34 188.967 3.315 -2.582 287 HA LEU 34 HA LEU 34 188.961 0.788 -2.210 288 1HB LEU 34 HB2 LEU 34 186.536 0.651 -2.083 289 2HB LEU 34 HB1 LEU 34 187.141 2.149 -1.414 290 HG LEU 34 HG LEU 34 185.423 1.696 -3.799 291 1HD1 LEU 34 HD11 LEU 34 184.265 2.477 -1.950 292 2HD1 LEU 34 HD12 LEU 34 184.570 3.946 -2.879 293 3HD1 LEU 34 HD13 LEU 34 185.569 3.567 -1.475 294 1HD2 LEU 34 HD21 LEU 34 187.348 2.818 -4.805 295 2HD2 LEU 34 HD22 LEU 34 187.285 4.060 -3.558 296 3HD2 LEU 34 HD23 LEU 34 185.963 3.902 -4.712 297 H ILE 35 HN ILE 35 188.750 -1.189 -3.107 298 HA ILE 35 HA ILE 35 188.242 -1.259 -6.008 299 HB ILE 35 HB ILE 35 189.569 -3.562 -4.685 300 1HG1 ILE 35 HG12 ILE 35 191.686 -1.904 -5.460 301 2HG1 ILE 35 HG11 ILE 35 190.616 -0.856 -4.537 302 1HG2 ILE 35 HG21 ILE 35 189.491 -4.019 -6.887 303 2HG2 ILE 35 HG22 ILE 35 190.949 -3.028 -6.936 304 3HG2 ILE 35 HG23 ILE 35 189.386 -2.319 -7.346 305 1HD1 ILE 35 HD11 ILE 35 192.519 -2.259 -3.388 306 2HD1 ILE 35 HD12 ILE 35 191.275 -3.510 -3.399 307 3HD1 ILE 35 HD13 ILE 35 190.972 -1.972 -2.592 308 H ASN 36 HN ASN 36 187.761 -3.193 -3.051 309 HA ASN 36 HA ASN 36 185.604 -4.630 -4.436 310 1HB ASN 36 HB2 ASN 36 187.704 -5.435 -2.635 311 2HB ASN 36 HB1 ASN 36 186.134 -5.894 -1.981 312 1HD2 ASN 36 HD21 ASN 36 187.994 -7.769 -2.749 313 2HD2 ASN 36 HD22 ASN 36 187.415 -8.613 -4.140 314 HA PRO 37 HA PRO 37 183.257 -2.066 -1.393 315 1HB PRO 37 HB2 PRO 37 181.417 -1.106 -3.070 316 2HB PRO 37 HB1 PRO 37 183.043 -0.410 -3.009 317 1HG PRO 37 HG2 PRO 37 181.896 -2.371 -4.962 318 2HG PRO 37 HG1 PRO 37 182.895 -0.940 -5.271 319 1HD PRO 37 HD2 PRO 37 183.887 -3.492 -5.172 320 2HD PRO 37 HD1 PRO 37 184.838 -2.044 -4.793 321 H HIS 38 HN HIS 38 181.999 -3.299 -0.161 322 HA HIS 38 HA HIS 38 180.046 -5.086 -1.460 323 1HB HIS 38 HB2 HIS 38 181.926 -5.513 0.710 324 2HB HIS 38 HB1 HIS 38 180.282 -5.904 1.199 325 HD1 HIS 38 HD1 HIS 38 183.068 -7.583 0.028 326 HD2 HIS 38 HD2 HIS 38 179.103 -7.533 -1.213 327 HE1 HIS 38 HE1 HIS 38 182.741 -9.717 -1.261 328 HE2 HIS 38 HE2 HIS 38 180.309 -9.707 -1.923 329 H ILE 39 HN ILE 39 177.927 -5.076 -0.815 330 HA ILE 39 HA ILE 39 177.120 -3.250 1.337 331 HB ILE 39 HB ILE 39 175.980 -3.193 -1.463 332 1HG1 ILE 39 HG12 ILE 39 178.210 -1.949 -0.740 333 2HG1 ILE 39 HG11 ILE 39 177.041 -1.189 -1.806 334 1HG2 ILE 39 HG21 ILE 39 174.162 -2.939 0.049 335 2HG2 ILE 39 HG22 ILE 39 174.558 -1.335 -0.568 336 3HG2 ILE 39 HG23 ILE 39 175.072 -1.808 1.052 337 1HD1 ILE 39 HD11 ILE 39 178.087 -0.012 0.364 338 2HD1 ILE 39 HD12 ILE 39 176.629 -0.715 1.064 339 3HD1 ILE 39 HD13 ILE 39 176.505 0.389 -0.303 340 H ILE 40 HN ILE 40 175.891 -4.401 2.692 341 HA ILE 40 HA ILE 40 174.173 -6.519 1.568 342 HB ILE 40 HB ILE 40 175.219 -6.377 4.395 343 1HG1 ILE 40 HG12 ILE 40 176.200 -8.012 2.045 344 2HG1 ILE 40 HG11 ILE 40 177.069 -6.695 2.826 345 1HG2 ILE 40 HG21 ILE 40 174.176 -8.832 3.059 346 2HG2 ILE 40 HG22 ILE 40 173.044 -7.650 3.717 347 3HG2 ILE 40 HG23 ILE 40 174.227 -8.420 4.774 348 1HD1 ILE 40 HD11 ILE 40 176.508 -9.445 3.845 349 2HD1 ILE 40 HD12 ILE 40 176.885 -8.127 4.953 350 3HD1 ILE 40 HD13 ILE 40 178.047 -8.594 3.710 351 H LEU 41 HN LEU 41 172.130 -5.868 1.458 352 HA LEU 41 HA LEU 41 171.072 -4.142 3.595 353 1HB LEU 41 HB2 LEU 41 170.878 -2.992 1.556 354 2HB LEU 41 HB1 LEU 41 170.382 -4.432 0.689 355 HG LEU 41 HG LEU 41 168.428 -3.906 2.700 356 1HD1 LEU 41 HD11 LEU 41 168.974 -1.531 0.932 357 2HD1 LEU 41 HD12 LEU 41 169.315 -1.601 2.660 358 3HD1 LEU 41 HD13 LEU 41 167.652 -1.715 2.084 359 1HD2 LEU 41 HD21 LEU 41 166.983 -3.613 0.676 360 2HD2 LEU 41 HD22 LEU 41 167.921 -5.108 0.705 361 3HD2 LEU 41 HD23 LEU 41 168.440 -3.760 -0.308 362 H SER 42 HN SER 42 170.268 -5.540 5.087 363 HA SER 42 HA SER 42 168.378 -7.591 4.136 364 1HB SER 42 HB2 SER 42 169.907 -7.504 6.749 365 2HB SER 42 HB1 SER 42 168.820 -8.791 6.230 366 HG SER 42 HG SER 42 171.387 -8.154 5.338 367 H LYS 43 HN LYS 43 166.521 -8.033 5.558 368 HA LYS 43 HA LYS 43 165.448 -5.521 6.618 369 1HB LYS 43 HB2 LYS 43 164.241 -6.875 4.821 370 2HB LYS 43 HB1 LYS 43 163.896 -8.048 6.084 371 1HG LYS 43 HG2 LYS 43 163.075 -5.713 7.237 372 2HG LYS 43 HG1 LYS 43 162.673 -5.455 5.540 373 1HD LYS 43 HD2 LYS 43 160.804 -6.472 6.738 374 2HD LYS 43 HD1 LYS 43 161.439 -7.566 5.507 375 1HE LYS 43 HE2 LYS 43 161.742 -9.126 7.055 376 2HE LYS 43 HE1 LYS 43 162.858 -8.060 7.909 377 1HZ LYS 43 HZ1 LYS 43 160.555 -8.972 8.928 378 2HZ LYS 43 HZ2 LYS 43 160.058 -7.471 8.327 379 3HZ LYS 43 HZ3 LYS 43 161.325 -7.556 9.444 380 H GLU 44 HN GLU 44 165.586 -5.227 8.725 381 HA GLU 44 HA GLU 44 165.477 -7.573 10.495 382 1HB GLU 44 HB2 GLU 44 167.516 -6.577 10.949 383 2HB GLU 44 HB1 GLU 44 166.911 -4.954 10.657 384 1HG GLU 44 HG2 GLU 44 165.803 -4.915 12.772 385 2HG GLU 44 HG1 GLU 44 166.158 -6.618 13.047 386 HA PRO 45 HA PRO 45 161.467 -6.763 12.140 387 1HB PRO 45 HB2 PRO 45 162.866 -6.567 14.755 388 2HB PRO 45 HB1 PRO 45 161.485 -7.560 14.289 389 1HG PRO 45 HG2 PRO 45 164.129 -8.422 14.487 390 2HG PRO 45 HG1 PRO 45 162.813 -9.281 13.676 391 1HD PRO 45 HD2 PRO 45 165.121 -8.122 12.487 392 2HD PRO 45 HD1 PRO 45 163.741 -8.866 11.663 393 H GLN 46 HN GLN 46 164.091 -4.901 13.688 394 HA GLN 46 HA GLN 46 162.274 -2.620 13.930 395 1HB GLN 46 HB2 GLN 46 164.003 -3.720 15.730 396 2HB GLN 46 HB1 GLN 46 164.962 -2.390 15.096 397 1HG GLN 46 HG2 GLN 46 163.698 -1.776 17.105 398 2HG GLN 46 HG1 GLN 46 163.252 -0.806 15.703 399 1HE2 GLN 46 HE21 GLN 46 162.275 -4.077 16.631 400 2HE2 GLN 46 HE22 GLN 46 160.584 -3.736 16.717 401 H GLY 47 HN GLY 47 162.936 -2.884 11.334 402 1HA GLY 47 HA2 GLY 47 163.477 -1.034 9.880 403 2HA GLY 47 HA1 GLY 47 164.803 -0.634 10.956 404 H PHE 48 HN PHE 48 165.476 -0.628 8.456 405 HA PHE 48 HA PHE 48 166.315 -3.178 7.428 406 1HB PHE 48 HB2 PHE 48 166.627 -0.324 6.578 407 2HB PHE 48 HB1 PHE 48 167.659 -1.549 5.857 408 HD1 PHE 48 HD1 PHE 48 165.381 -3.721 5.974 409 HD2 PHE 48 HD2 PHE 48 165.624 0.259 4.496 410 HE1 PHE 48 HE1 PHE 48 163.624 -4.228 4.334 411 HE2 PHE 48 HE2 PHE 48 163.869 -0.238 2.852 412 HZ PHE 48 HZ PHE 48 162.862 -2.488 2.771 413 H VAL 49 HN VAL 49 168.409 -3.958 7.234 414 HA VAL 49 HA VAL 49 170.367 -2.758 9.081 415 HB VAL 49 HB VAL 49 170.313 -5.612 8.103 416 1HG1 VAL 49 HG11 VAL 49 172.037 -6.045 9.596 417 2HG1 VAL 49 HG12 VAL 49 171.726 -4.585 10.536 418 3HG1 VAL 49 HG13 VAL 49 172.472 -4.466 8.942 419 1HG2 VAL 49 HG21 VAL 49 169.698 -5.774 10.728 420 2HG2 VAL 49 HG22 VAL 49 168.503 -5.768 9.433 421 3HG2 VAL 49 HG23 VAL 49 168.874 -4.276 10.294 422 H ALA 50 HN ALA 50 171.223 -1.324 7.498 423 HA ALA 50 HA ALA 50 172.278 -2.364 5.025 424 1HB ALA 50 HB1 ALA 50 172.478 -0.214 4.379 425 2HB ALA 50 HB2 ALA 50 173.158 0.298 5.922 426 3HB ALA 50 HB3 ALA 50 171.414 0.087 5.751 427 H ASP 51 HN ASP 51 173.790 -3.922 5.668 428 HA ASP 51 HA ASP 51 176.122 -2.949 7.162 429 1HB ASP 51 HB2 ASP 51 174.842 -5.604 6.808 430 2HB ASP 51 HB1 ASP 51 176.599 -5.589 6.929 431 H ALA 52 HN ALA 52 177.251 -1.869 5.572 432 HA ALA 52 HA ALA 52 178.001 -3.383 3.171 433 1HB ALA 52 HB1 ALA 52 178.314 -1.408 2.075 434 2HB ALA 52 HB2 ALA 52 178.774 -0.538 3.536 435 3HB ALA 52 HB3 ALA 52 177.078 -0.915 3.234 436 H THR 53 HN THR 53 180.275 -3.077 2.416 437 HA THR 53 HA THR 53 182.276 -2.494 4.399 438 HB THR 53 HB THR 53 183.111 -5.033 3.626 439 HG1 THR 53 HG1 THR 53 181.435 -6.367 3.807 440 1HG2 THR 53 HG21 THR 53 181.822 -4.079 6.160 441 2HG2 THR 53 HG22 THR 53 183.539 -4.292 5.817 442 3HG2 THR 53 HG23 THR 53 182.489 -5.701 5.970 443 H ILE 54 HN ILE 54 183.290 -1.101 3.047 444 HA ILE 54 HA ILE 54 183.937 -1.963 0.333 445 HB ILE 54 HB ILE 54 184.703 0.709 1.452 446 1HG1 ILE 54 HG12 ILE 54 181.977 -0.004 0.344 447 2HG1 ILE 54 HG11 ILE 54 182.322 0.360 2.032 448 1HG2 ILE 54 HG21 ILE 54 185.158 1.226 -0.664 449 2HG2 ILE 54 HG22 ILE 54 183.633 0.558 -1.243 450 3HG2 ILE 54 HG23 ILE 54 185.024 -0.500 -1.003 451 1HD1 ILE 54 HD11 ILE 54 182.244 2.553 1.674 452 2HD1 ILE 54 HD12 ILE 54 181.495 2.148 0.129 453 3HD1 ILE 54 HD13 ILE 54 183.231 2.440 0.218 454 H ASN 55 HN ASN 55 185.943 -2.455 -0.352 455 HA ASN 55 HA ASN 55 187.991 -2.791 1.665 456 1HB ASN 55 HB2 ASN 55 187.295 -4.127 -0.709 457 2HB ASN 55 HB1 ASN 55 188.877 -3.417 -1.015 458 1HD2 ASN 55 HD21 ASN 55 189.890 -3.528 1.598 459 2HD2 ASN 55 HD22 ASN 55 190.151 -5.186 2.008 460 H THR 56 HN THR 56 188.366 -0.549 2.082 461 HA THR 56 HA THR 56 189.590 1.047 -0.019 462 HB THR 56 HB THR 56 189.798 2.736 1.885 463 HG1 THR 56 HG1 THR 56 188.004 1.013 3.222 464 1HG2 THR 56 HG21 THR 56 187.905 2.724 0.252 465 2HG2 THR 56 HG22 THR 56 187.541 3.431 1.826 466 3HG2 THR 56 HG23 THR 56 186.980 1.805 1.440 467 HA PRO 57 HA PRO 57 193.765 -0.185 0.728 468 1HB PRO 57 HB2 PRO 57 194.890 2.405 0.670 469 2HB PRO 57 HB1 PRO 57 194.760 1.271 -0.675 470 1HG PRO 57 HG2 PRO 57 193.042 3.585 0.024 471 2HG PRO 57 HG1 PRO 57 193.428 2.900 -1.564 472 1HD PRO 57 HD2 PRO 57 191.021 2.546 -0.423 473 2HD PRO 57 HD1 PRO 57 191.786 1.275 -1.402 474 H ASN 58 HN ASN 58 192.191 2.256 2.648 475 HA ASN 58 HA ASN 58 194.219 2.055 4.741 476 1HB ASN 58 HB2 ASN 58 192.724 3.801 5.868 477 2HB ASN 58 HB1 ASN 58 193.566 4.298 4.406 478 1HD2 ASN 58 HD21 ASN 58 190.489 2.904 5.474 479 2HD2 ASN 58 HD22 ASN 58 189.511 3.747 4.325 480 H GLY 59 HN GLY 59 192.527 -0.228 4.096 481 1HA GLY 59 HA2 GLY 59 192.011 -1.798 5.922 482 2HA GLY 59 HA1 GLY 59 191.129 -0.483 6.687 483 H VAL 60 HN VAL 60 189.031 -0.920 6.648 484 HA VAL 60 HA VAL 60 187.781 -1.592 4.095 485 HB VAL 60 HB VAL 60 187.162 -3.163 6.599 486 1HG1 VAL 60 HG11 VAL 60 185.275 -2.937 5.092 487 2HG1 VAL 60 HG12 VAL 60 185.885 -4.591 5.056 488 3HG1 VAL 60 HG13 VAL 60 186.262 -3.483 3.737 489 1HG2 VAL 60 HG21 VAL 60 189.235 -4.012 6.040 490 2HG2 VAL 60 HG22 VAL 60 189.006 -3.727 4.315 491 3HG2 VAL 60 HG23 VAL 60 188.159 -5.055 5.110 492 H LEU 61 HN LEU 61 186.350 -0.010 3.817 493 HA LEU 61 HA LEU 61 185.223 1.458 5.999 494 1HB LEU 61 HB2 LEU 61 185.167 1.581 3.056 495 2HB LEU 61 HB1 LEU 61 183.725 2.182 3.841 496 HG LEU 61 HG LEU 61 186.298 3.449 3.491 497 1HD1 LEU 61 HD11 LEU 61 184.846 5.406 4.337 498 2HD1 LEU 61 HD12 LEU 61 183.522 4.247 4.253 499 3HD1 LEU 61 HD13 LEU 61 184.443 4.640 2.801 500 1HD2 LEU 61 HD21 LEU 61 185.214 3.414 6.307 501 2HD2 LEU 61 HD22 LEU 61 186.470 4.493 5.703 502 3HD2 LEU 61 HD23 LEU 61 186.762 2.755 5.776 503 H VAL 62 HN VAL 62 183.843 0.367 7.280 504 HA VAL 62 HA VAL 62 181.804 -1.347 6.094 505 HB VAL 62 HB VAL 62 182.266 -0.797 9.023 506 1HG1 VAL 62 HG11 VAL 62 180.086 -1.751 8.453 507 2HG1 VAL 62 HG12 VAL 62 181.080 -2.903 9.345 508 3HG1 VAL 62 HG13 VAL 62 180.885 -3.070 7.599 509 1HG2 VAL 62 HG21 VAL 62 183.657 -2.732 9.126 510 2HG2 VAL 62 HG22 VAL 62 184.291 -1.695 7.849 511 3HG2 VAL 62 HG23 VAL 62 183.340 -3.121 7.435 512 H ALA 63 HN ALA 63 179.995 -0.381 5.418 513 HA ALA 63 HA ALA 63 179.052 2.039 6.745 514 1HB ALA 63 HB1 ALA 63 177.469 0.999 4.511 515 2HB ALA 63 HB2 ALA 63 179.148 1.364 4.114 516 3HB ALA 63 HB3 ALA 63 178.110 2.616 4.795 517 H SER 64 HN SER 64 177.853 1.724 8.494 518 HA SER 64 HA SER 64 175.915 -0.485 8.502 519 1HB SER 64 HB2 SER 64 176.614 1.061 10.970 520 2HB SER 64 HB1 SER 64 176.120 -0.624 10.808 521 HG SER 64 HG SER 64 178.144 -1.146 10.091 522 H GLY 65 HN GLY 65 174.012 0.218 7.756 523 1HA GLY 65 HA2 GLY 65 172.986 2.776 8.827 524 2HA GLY 65 HA1 GLY 65 172.645 2.213 7.198 525 H LYS 66 HN LYS 66 171.412 2.474 10.249 526 HA LYS 66 HA LYS 66 169.562 0.224 9.815 527 1HB LYS 66 HB2 LYS 66 169.161 0.333 12.292 528 2HB LYS 66 HB1 LYS 66 170.775 -0.185 11.828 529 1HG LYS 66 HG2 LYS 66 170.241 2.689 12.448 530 2HG LYS 66 HG1 LYS 66 170.478 1.522 13.750 531 1HD LYS 66 HD2 LYS 66 172.684 1.408 13.388 532 2HD LYS 66 HD1 LYS 66 172.477 1.299 11.639 533 1HE LYS 66 HE2 LYS 66 171.941 3.811 11.758 534 2HE LYS 66 HE1 LYS 66 172.660 3.745 13.367 535 1HZ LYS 66 HZ1 LYS 66 174.344 4.373 11.838 536 2HZ LYS 66 HZ2 LYS 66 173.975 3.102 10.786 537 3HZ LYS 66 HZ3 LYS 66 174.669 2.777 12.293 538 H HIS 67 HN HIS 67 167.532 0.763 9.333 539 HA HIS 67 HA HIS 67 166.046 2.736 10.655 540 1HB HIS 67 HB2 HIS 67 167.772 3.841 8.726 541 2HB HIS 67 HB1 HIS 67 166.164 3.883 8.011 542 HD1 HIS 67 HD1 HIS 67 164.846 4.309 10.979 543 HD2 HIS 67 HD2 HIS 67 167.710 6.635 9.071 544 HE1 HIS 67 HE1 HIS 67 164.695 6.577 12.055 545 HE2 HIS 67 HE2 HIS 67 166.385 7.988 10.832 546 H GLU 68 HN GLU 68 163.884 2.882 9.945 547 HA GLU 68 HA GLU 68 162.838 0.538 8.828 548 1HB GLU 68 HB2 GLU 68 161.793 3.115 9.765 549 2HB GLU 68 HB1 GLU 68 160.822 2.376 8.499 550 1HG GLU 68 HG2 GLU 68 161.615 1.076 11.095 551 2HG GLU 68 HG1 GLU 68 160.034 1.760 10.718 552 H ASP 69 HN ASP 69 163.322 3.755 7.404 553 HA ASP 69 HA ASP 69 162.376 2.834 4.822 554 1HB ASP 69 HB2 ASP 69 162.878 5.407 6.084 555 2HB ASP 69 HB1 ASP 69 163.530 5.339 4.449 556 H MET 70 HN MET 70 163.640 2.745 2.932 557 HA MET 70 HA MET 70 166.242 1.695 3.345 558 1HB MET 70 HB2 MET 70 166.297 1.271 1.012 559 2HB MET 70 HB1 MET 70 164.651 0.988 1.546 560 1HG MET 70 HG2 MET 70 164.229 3.415 0.772 561 2HG MET 70 HG1 MET 70 165.731 3.210 -0.124 562 1HE MET 70 HE1 MET 70 161.839 1.282 -0.153 563 2HE MET 70 HE2 MET 70 161.749 2.552 -1.372 564 3HE MET 70 HE3 MET 70 162.289 2.936 0.263 565 H TYR 71 HN TYR 71 165.134 4.692 1.736 566 HA TYR 71 HA TYR 71 167.710 5.648 1.153 567 1HB TYR 71 HB2 TYR 71 165.006 6.904 1.367 568 2HB TYR 71 HB1 TYR 71 166.419 7.946 1.255 569 HD1 TYR 71 HD1 TYR 71 164.754 8.478 -0.827 570 HD2 TYR 71 HD2 TYR 71 167.305 5.087 -0.494 571 HE1 TYR 71 HE1 TYR 71 164.742 8.229 -3.274 572 HE2 TYR 71 HE2 TYR 71 167.296 4.827 -2.926 573 HH TYR 71 HH TYR 71 165.157 6.624 -4.967 574 H THR 72 HN THR 72 165.780 5.787 4.057 575 HA THR 72 HA THR 72 167.384 7.768 5.353 576 HB THR 72 HB THR 72 165.930 5.794 7.017 577 HG1 THR 72 HG1 THR 72 164.626 7.488 5.159 578 1HG2 THR 72 HG21 THR 72 166.897 8.090 7.714 579 2HG2 THR 72 HG22 THR 72 165.308 7.597 8.301 580 3HG2 THR 72 HG23 THR 72 165.439 8.734 6.958 581 H ALA 73 HN ALA 73 167.473 4.302 5.007 582 HA ALA 73 HA ALA 73 169.382 3.794 7.058 583 1HB ALA 73 HB1 ALA 73 168.425 2.204 4.694 584 2HB ALA 73 HB2 ALA 73 168.062 1.960 6.401 585 3HB ALA 73 HB3 ALA 73 169.676 1.611 5.786 586 H ILE 74 HN ILE 74 169.578 4.735 3.700 587 HA ILE 74 HA ILE 74 172.364 4.110 3.410 588 HB ILE 74 HB ILE 74 171.369 6.210 1.619 589 1HG1 ILE 74 HG12 ILE 74 169.254 4.933 2.022 590 2HG1 ILE 74 HG11 ILE 74 169.814 4.881 0.359 591 1HG2 ILE 74 HG21 ILE 74 172.409 4.883 -0.054 592 2HG2 ILE 74 HG22 ILE 74 172.437 3.468 0.998 593 3HG2 ILE 74 HG23 ILE 74 173.452 4.862 1.368 594 1HD1 ILE 74 HD11 ILE 74 170.885 2.641 1.007 595 2HD1 ILE 74 HD12 ILE 74 169.136 2.712 0.778 596 3HD1 ILE 74 HD13 ILE 74 169.814 2.706 2.408 597 H ASN 75 HN ASN 75 170.485 6.965 4.249 598 HA ASN 75 HA ASN 75 172.645 8.805 4.180 599 1HB ASN 75 HB2 ASN 75 170.285 9.152 6.005 600 2HB ASN 75 HB1 ASN 75 171.178 10.374 5.109 601 1HD2 ASN 75 HD21 ASN 75 171.109 8.736 2.636 602 2HD2 ASN 75 HD22 ASN 75 169.502 8.906 2.028 603 H GLU 76 HN GLU 76 171.362 6.640 6.611 604 HA GLU 76 HA GLU 76 172.846 7.707 8.794 605 1HB GLU 76 HB2 GLU 76 170.738 6.099 8.699 606 2HB GLU 76 HB1 GLU 76 171.980 4.856 8.773 607 1HG GLU 76 HG2 GLU 76 171.078 5.437 10.979 608 2HG GLU 76 HG1 GLU 76 172.811 5.739 10.849 609 H LEU 77 HN LEU 77 173.390 5.076 6.491 610 HA LEU 77 HA LEU 77 175.782 4.184 7.778 611 1HB LEU 77 HB2 LEU 77 176.085 2.761 5.806 612 2HB LEU 77 HB1 LEU 77 174.486 2.609 6.506 613 HG LEU 77 HG LEU 77 173.746 4.287 4.704 614 1HD1 LEU 77 HD11 LEU 77 176.543 3.991 4.060 615 2HD1 LEU 77 HD12 LEU 77 175.353 5.124 3.419 616 3HD1 LEU 77 HD13 LEU 77 175.521 3.524 2.701 617 1HD2 LEU 77 HD21 LEU 77 174.613 1.488 4.005 618 2HD2 LEU 77 HD22 LEU 77 173.507 2.469 3.044 619 3HD2 LEU 77 HD23 LEU 77 173.059 1.980 4.678 620 H ILE 78 HN ILE 78 175.057 6.407 5.152 621 HA ILE 78 HA ILE 78 177.703 6.593 4.160 622 HB ILE 78 HB ILE 78 175.682 7.339 2.908 623 1HG1 ILE 78 HG12 ILE 78 178.058 8.031 2.369 624 2HG1 ILE 78 HG11 ILE 78 176.796 9.075 1.728 625 1HG2 ILE 78 HG21 ILE 78 174.831 9.618 3.321 626 2HG2 ILE 78 HG22 ILE 78 175.785 9.678 4.800 627 3HG2 ILE 78 HG23 ILE 78 174.488 8.496 4.633 628 1HD1 ILE 78 HD11 ILE 78 177.433 10.177 4.198 629 2HD1 ILE 78 HD12 ILE 78 177.906 10.774 2.608 630 3HD1 ILE 78 HD13 ILE 78 178.978 9.694 3.499 631 H ASN 79 HN ASN 79 175.921 8.477 6.594 632 HA ASN 79 HA ASN 79 178.012 10.354 7.010 633 1HB ASN 79 HB2 ASN 79 176.712 11.236 8.733 634 2HB ASN 79 HB1 ASN 79 175.507 10.517 7.672 635 1HD2 ASN 79 HD21 ASN 79 174.034 9.318 8.615 636 2HD2 ASN 79 HD22 ASN 79 174.184 8.529 10.145 637 H LYS 80 HN LYS 80 177.064 7.377 8.695 638 HA LYS 80 HA LYS 80 178.912 7.447 10.770 639 1HB LYS 80 HB2 LYS 80 176.985 5.708 9.995 640 2HB LYS 80 HB1 LYS 80 178.422 4.795 9.555 641 1HG LYS 80 HG2 LYS 80 178.598 5.968 12.212 642 2HG LYS 80 HG1 LYS 80 177.237 4.860 12.032 643 1HD LYS 80 HD2 LYS 80 179.371 3.578 10.778 644 2HD LYS 80 HD1 LYS 80 180.068 4.294 12.231 645 1HE LYS 80 HE2 LYS 80 177.809 2.328 12.014 646 2HE LYS 80 HE1 LYS 80 179.335 2.153 12.876 647 1HZ LYS 80 HZ1 LYS 80 176.911 3.587 13.660 648 2HZ LYS 80 HZ2 LYS 80 178.395 4.225 14.162 649 3HZ LYS 80 HZ3 LYS 80 177.961 2.650 14.597 650 H LEU 81 HN LEU 81 179.245 5.925 7.567 651 HA LEU 81 HA LEU 81 181.918 5.096 7.938 652 1HB LEU 81 HB2 LEU 81 179.981 5.178 5.760 653 2HB LEU 81 HB1 LEU 81 181.623 5.450 5.209 654 HG LEU 81 HG LEU 81 180.597 3.047 6.712 655 1HD1 LEU 81 HD11 LEU 81 181.021 1.829 4.727 656 2HD1 LEU 81 HD12 LEU 81 181.849 3.195 3.983 657 3HD1 LEU 81 HD13 LEU 81 180.108 3.262 4.252 658 1HD2 LEU 81 HD21 LEU 81 182.658 2.712 7.454 659 2HD2 LEU 81 HD22 LEU 81 183.240 4.150 6.617 660 3HD2 LEU 81 HD23 LEU 81 183.207 2.598 5.783 661 H GLU 82 HN GLU 82 180.479 8.092 6.844 662 HA GLU 82 HA GLU 82 182.618 9.305 5.578 663 1HB GLU 82 HB2 GLU 82 180.105 10.102 6.506 664 2HB GLU 82 HB1 GLU 82 181.237 11.174 7.320 665 1HG GLU 82 HG2 GLU 82 182.163 11.871 5.206 666 2HG GLU 82 HG1 GLU 82 181.144 10.718 4.348 667 H ARG 83 HN ARG 83 181.814 9.360 9.043 668 HA ARG 83 HA ARG 83 184.163 10.779 9.799 669 1HB ARG 83 HB2 ARG 83 182.612 8.964 11.631 670 2HB ARG 83 HB1 ARG 83 183.489 10.433 12.033 671 1HG ARG 83 HG2 ARG 83 181.796 11.707 10.704 672 2HG ARG 83 HG1 ARG 83 180.877 10.207 10.559 673 1HD ARG 83 HD2 ARG 83 181.505 11.795 13.028 674 2HD ARG 83 HD1 ARG 83 179.929 11.329 12.391 675 HE ARG 83 HE ARG 83 181.047 8.950 12.924 676 1HH1 ARG 83 HH11 ARG 83 180.736 11.855 14.836 677 2HH1 ARG 83 HH12 ARG 83 180.694 11.008 16.343 678 1HH2 ARG 83 HH21 ARG 83 180.993 7.835 14.909 679 2HH2 ARG 83 HH22 ARG 83 180.840 8.726 16.387 680 H GLN 84 HN GLN 84 183.355 7.400 9.405 681 HA GLN 84 HA GLN 84 185.431 6.204 10.817 682 1HB GLN 84 HB2 GLN 84 183.377 5.231 9.437 683 2HB GLN 84 HB1 GLN 84 184.616 5.022 8.207 684 1HG GLN 84 HG2 GLN 84 185.454 3.244 9.228 685 2HG GLN 84 HG1 GLN 84 185.517 4.076 10.782 686 1HE2 GLN 84 HE21 GLN 84 184.039 1.658 8.990 687 2HE2 GLN 84 HE22 GLN 84 182.725 1.312 10.057 688 H LEU 85 HN LEU 85 185.368 6.842 7.297 689 HA LEU 85 HA LEU 85 188.057 6.197 6.852 690 1HB LEU 85 HB2 LEU 85 186.080 6.638 5.196 691 2HB LEU 85 HB1 LEU 85 186.672 8.288 5.221 692 HG LEU 85 HG LEU 85 188.897 6.554 4.781 693 1HD1 LEU 85 HD11 LEU 85 186.438 5.902 3.221 694 2HD1 LEU 85 HD12 LEU 85 187.671 4.827 3.878 695 3HD1 LEU 85 HD13 LEU 85 188.023 5.804 2.452 696 1HD2 LEU 85 HD21 LEU 85 188.145 9.017 4.027 697 2HD2 LEU 85 HD22 LEU 85 187.767 8.124 2.552 698 3HD2 LEU 85 HD23 LEU 85 189.405 8.094 3.209 699 H ASN 86 HN ASN 86 186.511 9.287 7.616 700 HA ASN 86 HA ASN 86 188.664 10.995 7.262 701 1HB ASN 86 HB2 ASN 86 186.314 11.054 9.135 702 2HB ASN 86 HB1 ASN 86 187.534 12.324 9.179 703 1HD2 ASN 86 HD21 ASN 86 184.623 12.122 8.317 704 2HD2 ASN 86 HD22 ASN 86 184.599 12.892 6.771 705 H LYS 87 HN LYS 87 187.630 9.648 10.404 706 HA LYS 87 HA LYS 87 189.945 10.427 11.786 707 1HB LYS 87 HB2 LYS 87 189.185 8.967 13.567 708 2HB LYS 87 HB1 LYS 87 187.815 9.832 12.883 709 1HG LYS 87 HG2 LYS 87 186.902 7.768 12.990 710 2HG LYS 87 HG1 LYS 87 187.659 7.638 11.401 711 1HD LYS 87 HD2 LYS 87 189.490 6.414 12.271 712 2HD LYS 87 HD1 LYS 87 189.050 6.803 13.936 713 1HE LYS 87 HE2 LYS 87 187.334 5.162 12.081 714 2HE LYS 87 HE1 LYS 87 188.491 4.470 13.216 715 1HZ LYS 87 HZ1 LYS 87 186.645 6.364 14.382 716 2HZ LYS 87 HZ2 LYS 87 187.137 4.845 14.943 717 3HZ LYS 87 HZ3 LYS 87 185.915 4.961 13.780 718 H LEU 88 HN LEU 88 189.194 7.524 9.954 719 HA LEU 88 HA LEU 88 191.396 5.986 10.867 720 1HB LEU 88 HB2 LEU 88 189.273 5.218 9.622 721 2HB LEU 88 HB1 LEU 88 190.131 5.672 8.162 722 HG LEU 88 HG LEU 88 191.129 3.651 10.171 723 1HD1 LEU 88 HD11 LEU 88 190.244 2.880 7.449 724 2HD1 LEU 88 HD12 LEU 88 188.998 3.211 8.653 725 3HD1 LEU 88 HD13 LEU 88 190.209 1.966 8.957 726 1HD2 LEU 88 HD21 LEU 88 192.561 3.064 8.101 727 2HD2 LEU 88 HD22 LEU 88 193.016 4.451 9.088 728 3HD2 LEU 88 HD23 LEU 88 192.164 4.696 7.564 729 H GLN 89 HN GLN 89 190.897 7.925 7.926 730 HA GLN 89 HA GLN 89 193.465 7.491 6.851 731 1HB GLN 89 HB2 GLN 89 191.194 9.281 6.315 732 2HB GLN 89 HB1 GLN 89 192.759 9.945 5.865 733 1HG GLN 89 HG2 GLN 89 192.093 7.172 5.027 734 2HG GLN 89 HG1 GLN 89 191.340 8.524 4.180 735 1HE2 GLN 89 HE21 GLN 89 193.509 6.445 3.566 736 2HE2 GLN 89 HE22 GLN 89 194.778 7.385 2.865 737 H HIS 90 HN HIS 90 192.176 9.954 9.023 738 HA HIS 90 HA HIS 90 194.442 11.625 9.065 739 1HB HIS 90 HB2 HIS 90 191.910 11.585 10.279 740 2HB HIS 90 HB1 HIS 90 193.061 11.579 11.612 741 HD1 HIS 90 HD1 HIS 90 192.577 13.543 8.379 742 HD2 HIS 90 HD2 HIS 90 193.803 14.076 12.314 743 HE1 HIS 90 HE1 HIS 90 193.052 16.002 8.609 744 HE2 HIS 90 HE2 HIS 90 193.872 16.287 10.974 745 H LYS 91 HN LYS 91 195.025 11.814 11.851 746 HA LYS 91 HA LYS 91 196.447 10.988 13.423 747 1HB LYS 91 HB2 LYS 91 194.794 9.257 13.773 748 2HB LYS 91 HB1 LYS 91 195.385 8.351 12.392 749 1HG LYS 91 HG2 LYS 91 197.376 7.753 13.515 750 2HG LYS 91 HG1 LYS 91 197.073 8.912 14.813 751 1HD LYS 91 HD2 LYS 91 194.830 7.428 14.964 752 2HD LYS 91 HD1 LYS 91 195.963 6.214 14.368 753 1HE LYS 91 HE2 LYS 91 196.616 5.940 16.478 754 2HE LYS 91 HE1 LYS 91 197.362 7.534 16.367 755 1HZ LYS 91 HZ1 LYS 91 194.654 6.885 17.389 756 2HZ LYS 91 HZ2 LYS 91 195.183 8.464 17.089 757 3HZ LYS 91 HZ3 LYS 91 195.959 7.521 18.261 758 H GLY 92 HN GLY 92 197.118 11.135 10.362 759 1HA GLY 92 HA2 GLY 92 199.124 9.296 9.764 760 2HA GLY 92 HA1 GLY 92 199.026 10.924 9.109 761 H GLU 93 HN GLU 93 200.449 8.882 11.538 762 HA GLU 93 HA GLU 93 202.258 11.087 12.283 763 1HB GLU 93 HB2 GLU 93 200.667 9.503 13.942 764 2HB GLU 93 HB1 GLU 93 202.287 8.848 14.129 765 1HG GLU 93 HG2 GLU 93 203.125 11.060 14.710 766 2HG GLU 93 HG1 GLU 93 201.508 11.731 14.503 767 H ALA 94 HN ALA 94 202.345 7.530 12.531 768 HA ALA 94 HA ALA 94 204.469 7.256 10.653 769 1HB ALA 94 HB1 ALA 94 205.766 8.251 12.456 770 2HB ALA 94 HB2 ALA 94 206.232 6.566 12.212 771 3HB ALA 94 HB3 ALA 94 205.196 7.009 13.570 772 H ARG 95 HN ARG 95 205.594 4.946 11.198 773 HA ARG 95 HA ARG 95 203.378 3.094 11.785 774 1HB ARG 95 HB2 ARG 95 204.608 3.438 9.336 775 2HB ARG 95 HB1 ARG 95 205.451 2.047 10.002 776 1HG ARG 95 HG2 ARG 95 202.915 1.339 10.535 777 2HG ARG 95 HG1 ARG 95 202.664 2.319 9.089 778 1HD ARG 95 HD2 ARG 95 204.798 0.830 8.333 779 2HD ARG 95 HD1 ARG 95 203.972 -0.300 9.407 780 HE ARG 95 HE ARG 95 202.293 -0.498 7.860 781 1HH1 ARG 95 HH11 ARG 95 204.278 2.253 7.040 782 2HH1 ARG 95 HH12 ARG 95 203.517 2.502 5.504 783 1HH2 ARG 95 HH21 ARG 95 201.291 -0.171 5.840 784 2HH2 ARG 95 HH22 ARG 95 201.821 1.127 4.823 785 H ARG 96 HN ARG 96 206.928 3.291 11.543 786 HA ARG 96 HA ARG 96 207.196 1.126 13.473 787 1HB ARG 96 HB2 ARG 96 209.588 2.577 12.469 788 2HB ARG 96 HB1 ARG 96 209.345 0.856 12.726 789 1HG ARG 96 HG2 ARG 96 207.688 1.159 10.682 790 2HG ARG 96 HG1 ARG 96 208.756 2.524 10.349 791 1HD ARG 96 HD2 ARG 96 209.951 0.958 9.248 792 2HD ARG 96 HD1 ARG 96 210.587 0.627 10.858 793 HE ARG 96 HE ARG 96 209.649 -1.434 10.698 794 1HH1 ARG 96 HH11 ARG 96 207.823 0.731 8.657 795 2HH1 ARG 96 HH12 ARG 96 206.755 -0.507 8.087 796 1HH2 ARG 96 HH21 ARG 96 208.244 -3.063 9.947 797 2HH2 ARG 96 HH22 ARG 96 206.993 -2.660 8.820 798 H ALA 97 HN ALA 97 206.368 2.208 15.320 799 HA ALA 97 HA ALA 97 208.343 3.985 16.567 800 1HB ALA 97 HB1 ALA 97 206.858 5.643 16.060 801 2HB ALA 97 HB2 ALA 97 206.188 5.112 17.601 802 3HB ALA 97 HB3 ALA 97 205.467 4.561 16.090 803 H ALA 98 HN ALA 98 208.703 1.647 17.363 804 HA ALA 98 HA ALA 98 207.045 1.207 19.760 805 1HB ALA 98 HB1 ALA 98 206.616 -0.751 18.720 806 2HB ALA 98 HB2 ALA 98 208.177 -1.207 19.404 807 3HB ALA 98 HB3 ALA 98 208.072 -0.668 17.729 808 H THR 99 HN THR 99 210.310 0.908 18.405 809 HA THR 99 HA THR 99 211.460 0.612 21.055 810 HB THR 99 HB THR 99 212.392 -0.722 19.245 811 HG1 THR 99 HG1 THR 99 214.231 1.311 19.965 812 1HG2 THR 99 HG21 THR 99 212.060 1.501 17.647 813 2HG2 THR 99 HG22 THR 99 212.904 0.011 17.218 814 3HG2 THR 99 HG23 THR 99 213.809 1.383 17.859 815 H SER 100 HN SER 100 211.034 3.060 18.612 816 HA SER 100 HA SER 100 212.917 4.892 19.800 817 1HB SER 100 HB2 SER 100 211.951 4.669 17.290 818 2HB SER 100 HB1 SER 100 210.866 5.912 17.914 819 HG SER 100 HG SER 100 212.895 6.965 18.647 820 H VAL 101 HN VAL 101 211.568 4.374 21.903 821 HA VAL 101 HA VAL 101 209.172 5.943 22.213 822 HB VAL 101 HB VAL 101 210.835 4.649 24.378 823 1HG1 VAL 101 HG11 VAL 101 208.627 4.624 25.568 824 2HG1 VAL 101 HG12 VAL 101 207.998 5.656 24.284 825 3HG1 VAL 101 HG13 VAL 101 209.315 6.227 25.310 826 1HG2 VAL 101 HG21 VAL 101 209.411 2.719 24.195 827 2HG2 VAL 101 HG22 VAL 101 210.137 3.042 22.621 828 3HG2 VAL 101 HG23 VAL 101 208.459 3.491 22.926 829 H LYS 102 HN LYS 102 212.246 6.019 24.026 830 HA LYS 102 HA LYS 102 211.799 8.799 24.703 831 1HB LYS 102 HB2 LYS 102 213.783 8.578 26.096 832 2HB LYS 102 HB1 LYS 102 212.687 7.233 26.383 833 1HG LYS 102 HG2 LYS 102 214.093 5.889 24.787 834 2HG LYS 102 HG1 LYS 102 215.255 7.218 24.822 835 1HD LYS 102 HD2 LYS 102 214.315 6.146 27.426 836 2HD LYS 102 HD1 LYS 102 215.416 5.142 26.479 837 1HE LYS 102 HE2 LYS 102 216.832 6.408 27.837 838 2HE LYS 102 HE1 LYS 102 216.863 7.248 26.287 839 1HZ LYS 102 HZ1 LYS 102 215.016 8.037 28.459 840 2HZ LYS 102 HZ2 LYS 102 215.478 8.931 27.100 841 3HZ LYS 102 HZ3 LYS 102 216.586 8.661 28.347 842 H ASP 103 HN ASP 103 213.801 6.913 22.551 843 HA ASP 103 HA ASP 103 215.647 8.982 21.912 844 1HB ASP 103 HB2 ASP 103 215.634 6.324 21.476 845 2HB ASP 103 HB1 ASP 103 215.089 6.878 19.897 846 H ALA 104 HN ALA 104 214.775 10.858 21.209 847 HA ALA 104 HA ALA 104 212.561 10.957 19.394 848 1HB ALA 104 HB1 ALA 104 214.073 13.420 19.567 849 2HB ALA 104 HB2 ALA 104 213.749 12.736 21.159 850 3HB ALA 104 HB3 ALA 104 212.414 13.077 20.057 851 H ASN 105 HN ASN 105 212.853 10.258 17.369 852 HA ASN 105 HA ASN 105 215.356 10.848 15.980 853 1HB ASN 105 HB2 ASN 105 213.869 8.581 16.025 854 2HB ASN 105 HB1 ASN 105 213.226 9.349 14.576 855 1HD2 ASN 105 HD21 ASN 105 214.094 8.067 13.053 856 2HD2 ASN 105 HD22 ASN 105 215.790 7.871 12.790 857 H PHE 106 HN PHE 106 213.910 13.119 16.437 858 HA PHE 106 HA PHE 106 212.396 13.704 14.013 859 1HB PHE 106 HB2 PHE 106 212.920 15.371 16.480 860 2HB PHE 106 HB1 PHE 106 211.920 15.875 15.124 861 HD1 PHE 106 HD1 PHE 106 210.670 16.039 17.615 862 HD2 PHE 106 HD2 PHE 106 211.202 12.569 15.204 863 HE1 PHE 106 HE1 PHE 106 208.711 14.999 18.680 864 HE2 PHE 106 HE2 PHE 106 209.243 11.527 16.266 865 HZ PHE 106 HZ PHE 106 207.997 12.742 18.007 866 H VAL 107 HN VAL 107 215.414 13.328 14.166 867 HA VAL 107 HA VAL 107 216.271 15.973 13.224 868 HB VAL 107 HB VAL 107 218.036 13.592 13.791 869 1HG1 VAL 107 HG11 VAL 107 218.472 16.264 12.765 870 2HG1 VAL 107 HG12 VAL 107 219.569 14.885 12.821 871 3HG1 VAL 107 HG13 VAL 107 219.429 15.956 14.214 872 1HG2 VAL 107 HG21 VAL 107 216.716 14.335 15.791 873 2HG2 VAL 107 HG22 VAL 107 217.507 15.905 15.647 874 3HG2 VAL 107 HG23 VAL 107 218.466 14.461 15.968 875 H GLU 108 HN GLU 108 214.595 14.237 11.627 876 HA GLU 108 HA GLU 108 216.054 14.348 9.186 877 1HB GLU 108 HB2 GLU 108 215.512 11.776 8.807 878 2HB GLU 108 HB1 GLU 108 217.033 12.306 9.510 879 1HG GLU 108 HG2 GLU 108 216.488 11.563 11.603 880 2HG GLU 108 HG1 GLU 108 214.754 11.723 11.327 881 H GLU 109 HN GLU 109 214.627 12.951 7.481 882 HA GLU 109 HA GLU 109 212.020 14.189 7.618 883 1HB GLU 109 HB2 GLU 109 213.621 13.882 5.550 884 2HB GLU 109 HB1 GLU 109 212.817 12.323 5.422 885 1HG GLU 109 HG2 GLU 109 211.253 13.356 4.242 886 2HG GLU 109 HG1 GLU 109 210.738 14.111 5.748 887 H VAL 110 HN VAL 110 210.176 13.240 8.191 888 HA VAL 110 HA VAL 110 209.950 10.325 8.084 889 HB VAL 110 HB VAL 110 209.169 11.876 10.554 890 1HG1 VAL 110 HG11 VAL 110 208.459 9.900 11.461 891 2HG1 VAL 110 HG12 VAL 110 209.543 8.927 10.467 892 3HG1 VAL 110 HG13 VAL 110 208.078 9.610 9.763 893 1HG2 VAL 110 HG21 VAL 110 211.568 11.906 10.421 894 2HG2 VAL 110 HG22 VAL 110 211.611 10.185 10.036 895 3HG2 VAL 110 HG23 VAL 110 211.088 10.718 11.634 896 H GLU 111 HN GLU 111 208.526 10.696 6.336 897 HA GLU 111 HA GLU 111 206.076 12.184 6.874 898 1HB GLU 111 HB2 GLU 111 207.611 11.845 4.601 899 2HB GLU 111 HB1 GLU 111 206.236 10.788 4.308 900 1HG GLU 111 HG2 GLU 111 204.715 12.541 4.367 901 2HG GLU 111 HG1 GLU 111 205.835 13.610 5.209 902 H GLU 112 HN GLU 112 205.698 10.425 8.581 903 HA GLU 112 HA GLU 112 204.370 8.735 9.320 904 1HB GLU 112 HB2 GLU 112 203.155 9.620 6.870 905 2HB GLU 112 HB1 GLU 112 202.962 7.880 7.021 906 1HG GLU 112 HG2 GLU 112 202.382 9.418 9.454 907 2HG GLU 112 HG1 GLU 112 201.292 9.704 8.098 908 H GLU 113 HN GLU 113 204.648 7.595 5.973 909 HA GLU 113 HA GLU 113 205.583 5.028 6.888 910 1HB GLU 113 HB2 GLU 113 205.439 5.955 4.024 911 2HB GLU 113 HB1 GLU 113 205.359 4.309 4.636 912 1HG GLU 113 HG2 GLU 113 203.157 4.521 4.405 913 2HG GLU 113 HG1 GLU 113 203.232 5.483 5.881 Start of MODEL 27 1 1H MET 1 HT1 MET 1 186.829 -0.562 -6.929 2 2H MET 1 HT2 MET 1 186.572 -1.455 -8.369 3 3H MET 1 HT3 MET 1 186.130 -2.123 -6.853 4 HA MET 1 HA MET 1 184.473 -0.471 -6.554 5 1HB MET 1 HB2 MET 1 185.485 0.507 -9.232 6 2HB MET 1 HB1 MET 1 184.012 1.080 -8.464 7 1HG MET 1 HG2 MET 1 185.137 2.524 -7.223 8 2HG MET 1 HG1 MET 1 186.216 1.262 -6.636 9 1HE MET 1 HE1 MET 1 188.910 1.191 -9.502 10 2HE MET 1 HE2 MET 1 187.325 0.569 -9.960 11 3HE MET 1 HE3 MET 1 187.986 0.207 -8.365 12 H THR 2 HN THR 2 184.482 -3.131 -7.158 13 HA THR 2 HA THR 2 182.978 -3.591 -9.587 14 HB THR 2 HB THR 2 184.426 -5.354 -9.127 15 HG1 THR 2 HG1 THR 2 182.104 -6.368 -7.896 16 1HG2 THR 2 HG21 THR 2 185.196 -5.081 -6.959 17 2HG2 THR 2 HG22 THR 2 184.298 -6.596 -6.891 18 3HG2 THR 2 HG23 THR 2 183.572 -5.112 -6.273 19 H MET 3 HN MET 3 182.079 -2.305 -6.728 20 HA MET 3 HA MET 3 180.157 -2.212 -5.484 21 1HB MET 3 HB2 MET 3 179.024 -2.591 -8.259 22 2HB MET 3 HB1 MET 3 178.093 -2.053 -6.868 23 1HG MET 3 HG2 MET 3 180.401 -0.624 -8.161 24 2HG MET 3 HG1 MET 3 178.702 -0.159 -8.207 25 1HE MET 3 HE1 MET 3 178.188 0.503 -4.279 26 2HE MET 3 HE2 MET 3 178.000 -1.012 -5.162 27 3HE MET 3 HE3 MET 3 177.342 0.484 -5.827 28 H ASN 4 HN ASN 4 180.842 -4.374 -4.577 29 HA ASN 4 HA ASN 4 179.357 -6.685 -5.447 30 1HB ASN 4 HB2 ASN 4 181.215 -6.175 -3.125 31 2HB ASN 4 HB1 ASN 4 180.386 -7.710 -3.357 32 1HD2 ASN 4 HD21 ASN 4 183.240 -6.334 -3.716 33 2HD2 ASN 4 HD22 ASN 4 183.839 -7.165 -5.105 34 H ILE 5 HN ILE 5 177.548 -7.543 -4.565 35 HA ILE 5 HA ILE 5 176.393 -6.193 -2.213 36 HB ILE 5 HB ILE 5 174.623 -7.337 -4.341 37 1HG1 ILE 5 HG12 ILE 5 176.198 -5.745 -5.457 38 2HG1 ILE 5 HG11 ILE 5 174.518 -5.223 -5.502 39 1HG2 ILE 5 HG21 ILE 5 174.361 -5.306 -2.151 40 2HG2 ILE 5 HG22 ILE 5 173.452 -6.796 -2.394 41 3HG2 ILE 5 HG23 ILE 5 173.181 -5.415 -3.456 42 1HD1 ILE 5 HD11 ILE 5 176.775 -4.137 -3.865 43 2HD1 ILE 5 HD12 ILE 5 175.092 -3.826 -3.443 44 3HD1 ILE 5 HD13 ILE 5 175.722 -3.297 -5.003 45 H THR 6 HN THR 6 175.136 -7.510 -0.808 46 HA THR 6 HA THR 6 174.950 -10.348 -1.384 47 HB THR 6 HB THR 6 176.206 -9.808 1.237 48 HG1 THR 6 HG1 THR 6 177.728 -9.713 -1.149 49 1HG2 THR 6 HG21 THR 6 177.038 -11.899 1.062 50 2HG2 THR 6 HG22 THR 6 177.273 -11.780 -0.682 51 3HG2 THR 6 HG23 THR 6 175.662 -12.074 -0.028 52 H SER 7 HN SER 7 172.803 -8.759 -1.159 53 HA SER 7 HA SER 7 171.769 -8.412 1.444 54 1HB SER 7 HB2 SER 7 170.581 -8.507 -1.304 55 2HB SER 7 HB1 SER 7 169.508 -8.542 0.094 56 HG SER 7 HG SER 7 171.438 -6.556 -0.524 57 H LYS 8 HN LYS 8 170.721 -9.790 2.814 58 HA LYS 8 HA LYS 8 170.973 -12.583 2.361 59 1HB LYS 8 HB2 LYS 8 171.161 -11.675 4.603 60 2HB LYS 8 HB1 LYS 8 169.510 -11.076 4.537 61 1HG LYS 8 HG2 LYS 8 169.094 -13.697 4.045 62 2HG LYS 8 HG1 LYS 8 170.526 -13.782 5.074 63 1HD LYS 8 HD2 LYS 8 169.347 -12.340 6.725 64 2HD LYS 8 HD1 LYS 8 167.903 -12.437 5.718 65 1HE LYS 8 HE2 LYS 8 168.515 -15.059 5.967 66 2HE LYS 8 HE1 LYS 8 169.109 -14.441 7.507 67 1HZ LYS 8 HZ1 LYS 8 166.827 -15.119 7.723 68 2HZ LYS 8 HZ2 LYS 8 166.358 -14.136 6.429 69 3HZ LYS 8 HZ3 LYS 8 166.912 -13.435 7.866 70 H GLN 9 HN GLN 9 167.895 -11.534 3.656 71 HA GLN 9 HA GLN 9 166.564 -13.130 1.612 72 1HB GLN 9 HB2 GLN 9 164.568 -12.889 3.086 73 2HB GLN 9 HB1 GLN 9 165.945 -13.647 3.873 74 1HG GLN 9 HG2 GLN 9 165.758 -12.177 5.510 75 2HG GLN 9 HG1 GLN 9 166.201 -10.907 4.373 76 1HE2 GLN 9 HE21 GLN 9 164.907 -9.266 4.841 77 2HE2 GLN 9 HE22 GLN 9 163.185 -9.342 4.946 78 H MET 10 HN MET 10 166.741 -9.826 2.778 79 HA MET 10 HA MET 10 164.615 -8.941 1.019 80 1HB MET 10 HB2 MET 10 165.388 -8.008 3.390 81 2HB MET 10 HB1 MET 10 166.423 -7.006 2.382 82 1HG MET 10 HG2 MET 10 164.487 -5.743 2.755 83 2HG MET 10 HG1 MET 10 164.339 -6.361 1.110 84 1HE MET 10 HE1 MET 10 162.164 -6.404 0.478 85 2HE MET 10 HE2 MET 10 161.453 -5.514 1.824 86 3HE MET 10 HE3 MET 10 160.756 -7.054 1.317 87 H GLU 11 HN GLU 11 165.256 -9.215 -1.074 88 HA GLU 11 HA GLU 11 167.807 -8.726 -2.108 89 1HB GLU 11 HB2 GLU 11 166.680 -8.634 -4.315 90 2HB GLU 11 HB1 GLU 11 166.187 -10.020 -3.351 91 1HG GLU 11 HG2 GLU 11 164.188 -8.634 -2.643 92 2HG GLU 11 HG1 GLU 11 164.643 -7.513 -3.927 93 H ILE 12 HN ILE 12 168.486 -7.010 -3.567 94 HA ILE 12 HA ILE 12 167.778 -4.410 -2.491 95 HB ILE 12 HB ILE 12 169.714 -4.656 -4.737 96 1HG1 ILE 12 HG12 ILE 12 171.345 -5.069 -2.578 97 2HG1 ILE 12 HG11 ILE 12 169.964 -6.084 -2.173 98 1HG2 ILE 12 HG21 ILE 12 169.224 -2.914 -2.398 99 2HG2 ILE 12 HG22 ILE 12 169.707 -2.500 -4.042 100 3HG2 ILE 12 HG23 ILE 12 170.901 -3.122 -2.903 101 1HD1 ILE 12 HD11 ILE 12 170.209 -7.060 -4.506 102 2HD1 ILE 12 HD12 ILE 12 171.443 -7.478 -3.320 103 3HD1 ILE 12 HD13 ILE 12 171.778 -6.258 -4.549 104 H THR 13 HN THR 13 166.105 -3.350 -3.330 105 HA THR 13 HA THR 13 165.106 -3.890 -5.961 106 HB THR 13 HB THR 13 163.434 -2.186 -5.465 107 HG1 THR 13 HG1 THR 13 163.583 -0.932 -3.632 108 1HG2 THR 13 HG21 THR 13 162.549 -3.947 -4.397 109 2HG2 THR 13 HG22 THR 13 162.927 -2.997 -2.960 110 3HG2 THR 13 HG23 THR 13 164.023 -4.276 -3.487 111 HA PRO 14 HA PRO 14 167.246 -1.056 -8.544 112 1HB PRO 14 HB2 PRO 14 165.090 0.387 -9.613 113 2HB PRO 14 HB1 PRO 14 165.786 -1.094 -10.275 114 1HG PRO 14 HG2 PRO 14 163.375 -0.730 -8.562 115 2HG PRO 14 HG1 PRO 14 163.660 -1.887 -9.877 116 1HD PRO 14 HD2 PRO 14 163.747 -2.654 -7.317 117 2HD PRO 14 HD1 PRO 14 164.875 -3.325 -8.514 118 H ALA 15 HN ALA 15 164.612 0.366 -6.641 119 HA ALA 15 HA ALA 15 165.587 3.027 -6.736 120 1HB ALA 15 HB1 ALA 15 163.768 1.751 -4.697 121 2HB ALA 15 HB2 ALA 15 163.254 2.483 -6.216 122 3HB ALA 15 HB3 ALA 15 163.987 3.481 -4.961 123 H ILE 16 HN ILE 16 165.819 0.483 -4.261 124 HA ILE 16 HA ILE 16 167.294 1.969 -2.392 125 HB ILE 16 HB ILE 16 167.370 -1.022 -2.815 126 1HG1 ILE 16 HG12 ILE 16 165.647 0.436 -0.827 127 2HG1 ILE 16 HG11 ILE 16 165.084 0.144 -2.467 128 1HG2 ILE 16 HG21 ILE 16 167.631 0.003 -0.101 129 2HG2 ILE 16 HG22 ILE 16 168.944 0.511 -1.163 130 3HG2 ILE 16 HG23 ILE 16 168.590 -1.205 -0.955 131 1HD1 ILE 16 HD11 ILE 16 164.298 -1.777 -1.672 132 2HD1 ILE 16 HD12 ILE 16 165.263 -1.658 -0.201 133 3HD1 ILE 16 HD13 ILE 16 165.974 -2.327 -1.669 134 H ARG 17 HN ARG 17 168.349 -0.182 -5.013 135 HA ARG 17 HA ARG 17 171.106 -0.015 -4.426 136 1HB ARG 17 HB2 ARG 17 171.477 -1.152 -6.454 137 2HB ARG 17 HB1 ARG 17 169.921 -1.736 -5.885 138 1HG ARG 17 HG2 ARG 17 168.814 -0.899 -7.638 139 2HG ARG 17 HG1 ARG 17 169.782 0.570 -7.698 140 1HD ARG 17 HD2 ARG 17 170.813 -0.277 -9.476 141 2HD ARG 17 HD1 ARG 17 171.533 -1.481 -8.408 142 HE ARG 17 HE ARG 17 169.417 -1.891 -10.309 143 1HH1 ARG 17 HH11 ARG 17 170.894 -3.071 -7.376 144 2HH1 ARG 17 HH12 ARG 17 170.307 -4.687 -7.582 145 1HH2 ARG 17 HH21 ARG 17 168.644 -4.015 -10.582 146 2HH2 ARG 17 HH22 ARG 17 169.031 -5.224 -9.402 147 H GLN 18 HN GLN 18 168.937 2.069 -6.170 148 HA GLN 18 HA GLN 18 170.858 3.509 -7.657 149 1HB GLN 18 HB2 GLN 18 168.159 3.468 -7.623 150 2HB GLN 18 HB1 GLN 18 168.448 4.955 -6.732 151 1HG GLN 18 HG2 GLN 18 170.075 4.770 -9.126 152 2HG GLN 18 HG1 GLN 18 168.348 4.673 -9.471 153 1HE2 GLN 18 HE21 GLN 18 170.847 6.608 -7.944 154 2HE2 GLN 18 HE22 GLN 18 170.004 8.114 -8.042 155 H HIS 19 HN HIS 19 169.209 4.330 -4.604 156 HA HIS 19 HA HIS 19 170.578 6.696 -4.074 157 1HB HIS 19 HB2 HIS 19 168.668 5.123 -2.774 158 2HB HIS 19 HB1 HIS 19 170.011 5.218 -1.643 159 HD1 HIS 19 HD1 HIS 19 170.543 7.545 -0.630 160 HD2 HIS 19 HD2 HIS 19 167.315 7.520 -3.236 161 HE1 HIS 19 HE1 HIS 19 169.372 9.742 -0.272 162 HE2 HIS 19 HE2 HIS 19 167.482 9.746 -1.937 163 H VAL 20 HN VAL 20 171.364 3.374 -3.093 164 HA VAL 20 HA VAL 20 173.615 3.954 -1.539 165 HB VAL 20 HB VAL 20 173.135 1.483 -3.215 166 1HG1 VAL 20 HG11 VAL 20 174.850 1.828 -0.759 167 2HG1 VAL 20 HG12 VAL 20 175.460 1.756 -2.411 168 3HG1 VAL 20 HG13 VAL 20 174.645 0.358 -1.711 169 1HG2 VAL 20 HG21 VAL 20 171.971 0.547 -1.411 170 2HG2 VAL 20 HG22 VAL 20 171.339 2.188 -1.532 171 3HG2 VAL 20 HG23 VAL 20 172.526 1.792 -0.292 172 H ALA 21 HN ALA 21 173.232 3.613 -5.009 173 HA ALA 21 HA ALA 21 175.976 3.452 -5.673 174 1HB ALA 21 HB1 ALA 21 173.792 3.042 -7.094 175 2HB ALA 21 HB2 ALA 21 175.307 3.523 -7.858 176 3HB ALA 21 HB3 ALA 21 174.053 4.724 -7.551 177 H ASP 22 HN ASP 22 173.724 6.189 -5.471 178 HA ASP 22 HA ASP 22 175.526 8.170 -6.330 179 1HB ASP 22 HB2 ASP 22 172.929 8.243 -5.931 180 2HB ASP 22 HB1 ASP 22 173.392 8.785 -4.320 181 H ARG 23 HN ARG 23 174.643 7.081 -3.064 182 HA ARG 23 HA ARG 23 176.280 8.852 -1.641 183 1HB ARG 23 HB2 ARG 23 174.989 6.231 -1.058 184 2HB ARG 23 HB1 ARG 23 176.242 6.787 0.043 185 1HG ARG 23 HG2 ARG 23 173.983 7.408 0.778 186 2HG ARG 23 HG1 ARG 23 175.012 8.813 0.489 187 1HD ARG 23 HD2 ARG 23 173.979 9.060 -1.744 188 2HD ARG 23 HD1 ARG 23 172.903 7.716 -1.368 189 HE ARG 23 HE ARG 23 171.612 9.163 -0.172 190 1HH1 ARG 23 HH11 ARG 23 174.801 10.545 -0.480 191 2HH1 ARG 23 HH12 ARG 23 174.359 12.045 0.264 192 1HH2 ARG 23 HH21 ARG 23 171.028 11.134 0.805 193 2HH2 ARG 23 HH22 ARG 23 172.217 12.379 0.994 194 H LEU 24 HN LEU 24 176.910 5.484 -2.616 195 HA LEU 24 HA LEU 24 179.583 5.451 -1.695 196 1HB LEU 24 HB2 LEU 24 177.819 3.581 -2.654 197 2HB LEU 24 HB1 LEU 24 178.986 3.688 -3.959 198 HG LEU 24 HG LEU 24 180.023 3.374 -1.183 199 1HD1 LEU 24 HD11 LEU 24 179.830 0.787 -2.020 200 2HD1 LEU 24 HD12 LEU 24 178.281 1.454 -2.535 201 3HD1 LEU 24 HD13 LEU 24 178.765 1.556 -0.843 202 1HD2 LEU 24 HD21 LEU 24 181.897 2.611 -2.213 203 2HD2 LEU 24 HD22 LEU 24 181.260 3.593 -3.530 204 3HD2 LEU 24 HD23 LEU 24 181.001 1.849 -3.528 205 H ALA 25 HN ALA 25 178.095 6.621 -4.601 206 HA ALA 25 HA ALA 25 180.263 6.552 -6.366 207 1HB ALA 25 HB1 ALA 25 178.939 8.821 -7.104 208 2HB ALA 25 HB2 ALA 25 177.696 7.945 -6.211 209 3HB ALA 25 HB3 ALA 25 178.496 7.184 -7.585 210 H LYS 26 HN LYS 26 179.101 9.431 -4.590 211 HA LYS 26 HA LYS 26 181.388 10.977 -5.078 212 1HB LYS 26 HB2 LYS 26 179.148 11.110 -3.101 213 2HB LYS 26 HB1 LYS 26 180.541 12.157 -2.875 214 1HG LYS 26 HG2 LYS 26 180.201 13.077 -5.123 215 2HG LYS 26 HG1 LYS 26 178.781 12.047 -5.314 216 1HD LYS 26 HD2 LYS 26 178.172 13.244 -2.985 217 2HD LYS 26 HD1 LYS 26 179.140 14.515 -3.734 218 1HE LYS 26 HE2 LYS 26 177.587 14.948 -5.309 219 2HE LYS 26 HE1 LYS 26 177.155 13.249 -5.496 220 1HZ LYS 26 HZ1 LYS 26 176.198 15.155 -3.442 221 2HZ LYS 26 HZ2 LYS 26 175.994 13.482 -3.289 222 3HZ LYS 26 HZ3 LYS 26 175.284 14.305 -4.584 223 H LEU 27 HN LEU 27 180.643 8.623 -2.617 224 HA LEU 27 HA LEU 27 182.636 9.204 -0.746 225 1HB LEU 27 HB2 LEU 27 181.049 7.686 -0.014 226 2HB LEU 27 HB1 LEU 27 181.095 6.759 -1.499 227 HG LEU 27 HG LEU 27 182.014 5.653 0.603 228 1HD1 LEU 27 HD11 LEU 27 184.195 5.573 -1.363 229 2HD1 LEU 27 HD12 LEU 27 182.578 5.290 -2.011 230 3HD1 LEU 27 HD13 LEU 27 183.198 4.273 -0.710 231 1HD2 LEU 27 HD21 LEU 27 183.709 6.554 1.717 232 2HD2 LEU 27 HD22 LEU 27 183.563 7.981 0.694 233 3HD2 LEU 27 HD23 LEU 27 184.672 6.687 0.246 234 H GLU 28 HN GLU 28 182.749 7.380 -3.754 235 HA GLU 28 HA GLU 28 185.267 6.195 -3.437 236 1HB GLU 28 HB2 GLU 28 184.233 5.281 -5.244 237 2HB GLU 28 HB1 GLU 28 183.443 6.783 -5.688 238 1HG GLU 28 HG2 GLU 28 186.379 6.430 -6.119 239 2HG GLU 28 HG1 GLU 28 185.213 5.768 -7.262 240 H LYS 29 HN LYS 29 184.403 9.474 -3.937 241 HA LYS 29 HA LYS 29 187.035 10.185 -4.972 242 1HB LYS 29 HB2 LYS 29 184.670 11.965 -4.374 243 2HB LYS 29 HB1 LYS 29 186.121 12.418 -5.256 244 1HG LYS 29 HG2 LYS 29 185.517 10.655 -6.944 245 2HG LYS 29 HG1 LYS 29 183.968 10.504 -6.112 246 1HD LYS 29 HD2 LYS 29 185.072 13.022 -7.354 247 2HD LYS 29 HD1 LYS 29 183.800 12.003 -8.034 248 1HE LYS 29 HE2 LYS 29 182.583 13.676 -7.005 249 2HE LYS 29 HE1 LYS 29 182.610 12.422 -5.767 250 1HZ LYS 29 HZ1 LYS 29 184.873 14.045 -5.443 251 2HZ LYS 29 HZ2 LYS 29 183.565 13.846 -4.390 252 3HZ LYS 29 HZ3 LYS 29 183.521 15.054 -5.573 253 H TRP 30 HN TRP 30 186.626 9.178 -2.194 254 HA TRP 30 HA TRP 30 187.437 11.552 -0.663 255 1HB TRP 30 HB2 TRP 30 185.926 9.132 -0.009 256 2HB TRP 30 HB1 TRP 30 187.187 9.491 1.163 257 HD1 TRP 30 HD1 TRP 30 184.250 11.377 -0.543 258 HE1 TRP 30 HE1 TRP 30 183.248 12.999 1.186 259 HE3 TRP 30 HE3 TRP 30 187.471 10.523 3.338 260 HZ2 TRP 30 HZ2 TRP 30 183.755 13.809 3.840 261 HZ3 TRP 30 HZ3 TRP 30 187.141 11.765 5.437 262 HH2 TRP 30 HH2 TRP 30 185.322 13.373 5.681 263 H GLN 31 HN GLN 31 189.494 11.189 -2.024 264 HA GLN 31 HA GLN 31 191.668 10.521 -2.202 265 1HB GLN 31 HB2 GLN 31 191.105 10.742 0.704 266 2HB GLN 31 HB1 GLN 31 192.619 9.973 0.242 267 1HG GLN 31 HG2 GLN 31 193.514 11.981 0.030 268 2HG GLN 31 HG1 GLN 31 192.431 12.279 -1.328 269 1HE2 GLN 31 HE21 GLN 31 190.007 12.378 0.019 270 2HE2 GLN 31 HE22 GLN 31 189.982 13.782 1.026 271 H THR 32 HN THR 32 189.441 8.346 -1.970 272 HA THR 32 HA THR 32 191.317 6.097 -1.726 273 HB THR 32 HB THR 32 188.448 5.691 -1.021 274 HG1 THR 32 HG1 THR 32 188.891 7.416 0.278 275 1HG2 THR 32 HG21 THR 32 191.031 4.519 -0.032 276 2HG2 THR 32 HG22 THR 32 189.797 3.733 -1.018 277 3HG2 THR 32 HG23 THR 32 189.449 4.160 0.657 278 H HIS 33 HN HIS 33 190.597 4.156 -2.933 279 HA HIS 33 HA HIS 33 189.055 4.934 -5.319 280 1HB HIS 33 HB2 HIS 33 190.495 2.735 -6.123 281 2HB HIS 33 HB1 HIS 33 190.929 4.408 -6.442 282 HD1 HIS 33 HD1 HIS 33 192.515 1.498 -5.473 283 HD2 HIS 33 HD2 HIS 33 192.477 5.326 -3.855 284 HE1 HIS 33 HE1 HIS 33 194.616 1.671 -4.103 285 HE2 HIS 33 HE2 HIS 33 194.611 4.022 -3.199 286 H LEU 34 HN LEU 34 189.655 2.415 -2.946 287 HA LEU 34 HA LEU 34 188.416 0.633 -2.266 288 1HB LEU 34 HB2 LEU 34 186.183 1.981 -3.788 289 2HB LEU 34 HB1 LEU 34 185.996 0.717 -2.589 290 HG LEU 34 HG LEU 34 185.416 2.771 -1.541 291 1HD1 LEU 34 HD11 LEU 34 188.052 2.782 -0.351 292 2HD1 LEU 34 HD12 LEU 34 187.454 1.143 -0.601 293 3HD1 LEU 34 HD13 LEU 34 186.503 2.295 0.335 294 1HD2 LEU 34 HD21 LEU 34 188.094 3.962 -2.146 295 2HD2 LEU 34 HD22 LEU 34 186.601 4.763 -1.659 296 3HD2 LEU 34 HD23 LEU 34 186.760 4.112 -3.290 297 H ILE 35 HN ILE 35 188.113 -1.440 -2.959 298 HA ILE 35 HA ILE 35 187.952 -1.834 -5.879 299 HB ILE 35 HB ILE 35 189.204 -4.051 -5.324 300 1HG1 ILE 35 HG12 ILE 35 189.995 -2.283 -2.999 301 2HG1 ILE 35 HG11 ILE 35 189.207 -3.853 -2.906 302 1HG2 ILE 35 HG21 ILE 35 191.076 -1.782 -5.135 303 2HG2 ILE 35 HG22 ILE 35 189.927 -1.732 -6.472 304 3HG2 ILE 35 HG23 ILE 35 191.012 -3.113 -6.291 305 1HD1 ILE 35 HD11 ILE 35 191.195 -4.796 -2.753 306 2HD1 ILE 35 HD12 ILE 35 191.984 -3.236 -2.979 307 3HD1 ILE 35 HD13 ILE 35 191.570 -4.226 -4.379 308 H ASN 36 HN ASN 36 187.348 -3.427 -2.746 309 HA ASN 36 HA ASN 36 185.231 -4.991 -4.060 310 1HB ASN 36 HB2 ASN 36 187.198 -5.618 -1.954 311 2HB ASN 36 HB1 ASN 36 185.575 -6.237 -1.670 312 1HD2 ASN 36 HD21 ASN 36 186.575 -8.331 -1.868 313 2HD2 ASN 36 HD22 ASN 36 186.840 -9.006 -3.435 314 HA PRO 37 HA PRO 37 183.104 -2.025 -1.122 315 1HB PRO 37 HB2 PRO 37 181.348 -1.005 -2.900 316 2HB PRO 37 HB1 PRO 37 182.980 -0.353 -2.713 317 1HG PRO 37 HG2 PRO 37 181.932 -2.274 -4.762 318 2HG PRO 37 HG1 PRO 37 182.973 -0.856 -4.994 319 1HD PRO 37 HD2 PRO 37 183.950 -3.378 -4.903 320 2HD PRO 37 HD1 PRO 37 184.866 -1.979 -4.308 321 H HIS 38 HN HIS 38 182.298 -3.959 -0.137 322 HA HIS 38 HA HIS 38 180.139 -5.404 -1.389 323 1HB HIS 38 HB2 HIS 38 181.982 -5.912 0.697 324 2HB HIS 38 HB1 HIS 38 180.375 -6.002 1.408 325 HD1 HIS 38 HD1 HIS 38 182.405 -8.426 0.812 326 HD2 HIS 38 HD2 HIS 38 179.009 -7.410 -1.356 327 HE1 HIS 38 HE1 HIS 38 181.707 -10.532 -0.369 328 HE2 HIS 38 HE2 HIS 38 179.698 -9.872 -1.738 329 H ILE 39 HN ILE 39 178.000 -5.327 -0.916 330 HA ILE 39 HA ILE 39 177.104 -3.403 1.118 331 HB ILE 39 HB ILE 39 176.106 -3.598 -1.726 332 1HG1 ILE 39 HG12 ILE 39 176.542 -1.033 -1.453 333 2HG1 ILE 39 HG11 ILE 39 177.567 -1.537 -0.114 334 1HG2 ILE 39 HG21 ILE 39 174.167 -3.430 -0.322 335 2HG2 ILE 39 HG22 ILE 39 174.456 -1.860 -1.068 336 3HG2 ILE 39 HG23 ILE 39 174.903 -2.131 0.616 337 1HD1 ILE 39 HD11 ILE 39 178.386 -1.277 -2.675 338 2HD1 ILE 39 HD12 ILE 39 178.012 -2.999 -2.608 339 3HD1 ILE 39 HD13 ILE 39 179.166 -2.303 -1.471 340 H ILE 40 HN ILE 40 175.988 -4.520 2.569 341 HA ILE 40 HA ILE 40 174.326 -6.777 1.658 342 HB ILE 40 HB ILE 40 175.248 -6.303 4.488 343 1HG1 ILE 40 HG12 ILE 40 176.523 -8.208 2.523 344 2HG1 ILE 40 HG11 ILE 40 177.154 -6.593 2.827 345 1HG2 ILE 40 HG21 ILE 40 173.582 -7.823 4.706 346 2HG2 ILE 40 HG22 ILE 40 174.890 -8.936 4.303 347 3HG2 ILE 40 HG23 ILE 40 173.757 -8.418 3.054 348 1HD1 ILE 40 HD11 ILE 40 177.834 -8.886 4.172 349 2HD1 ILE 40 HD12 ILE 40 176.710 -8.089 5.271 350 3HD1 ILE 40 HD13 ILE 40 178.145 -7.234 4.706 351 H LEU 41 HN LEU 41 172.419 -5.707 1.202 352 HA LEU 41 HA LEU 41 171.259 -4.048 3.319 353 1HB LEU 41 HB2 LEU 41 171.256 -2.979 1.186 354 2HB LEU 41 HB1 LEU 41 170.576 -4.394 0.408 355 HG LEU 41 HG LEU 41 168.793 -3.503 2.476 356 1HD1 LEU 41 HD11 LEU 41 169.820 -1.405 0.598 357 2HD1 LEU 41 HD12 LEU 41 169.552 -1.305 2.338 358 3HD1 LEU 41 HD13 LEU 41 168.177 -1.347 1.235 359 1HD2 LEU 41 HD21 LEU 41 168.669 -3.781 -0.514 360 2HD2 LEU 41 HD22 LEU 41 167.293 -3.232 0.445 361 3HD2 LEU 41 HD23 LEU 41 167.977 -4.836 0.719 362 H SER 42 HN SER 42 170.359 -5.384 4.780 363 HA SER 42 HA SER 42 168.435 -7.388 3.802 364 1HB SER 42 HB2 SER 42 170.294 -7.337 6.141 365 2HB SER 42 HB1 SER 42 168.778 -8.227 6.287 366 HG SER 42 HG SER 42 169.484 -9.182 4.167 367 H LYS 43 HN LYS 43 166.644 -7.825 5.456 368 HA LYS 43 HA LYS 43 165.580 -5.228 6.333 369 1HB LYS 43 HB2 LYS 43 164.336 -6.716 4.639 370 2HB LYS 43 HB1 LYS 43 163.968 -7.746 6.015 371 1HG LYS 43 HG2 LYS 43 163.352 -5.014 6.638 372 2HG LYS 43 HG1 LYS 43 162.562 -5.494 5.136 373 1HD LYS 43 HD2 LYS 43 161.191 -6.960 6.175 374 2HD LYS 43 HD1 LYS 43 162.426 -7.455 7.333 375 1HE LYS 43 HE2 LYS 43 160.418 -6.211 8.266 376 2HE LYS 43 HE1 LYS 43 162.010 -5.608 8.728 377 1HZ LYS 43 HZ1 LYS 43 160.107 -4.025 7.846 378 2HZ LYS 43 HZ2 LYS 43 160.782 -4.440 6.351 379 3HZ LYS 43 HZ3 LYS 43 161.743 -3.717 7.540 380 H GLU 44 HN GLU 44 165.933 -4.860 8.428 381 HA GLU 44 HA GLU 44 165.929 -7.105 10.302 382 1HB GLU 44 HB2 GLU 44 167.406 -4.691 10.127 383 2HB GLU 44 HB1 GLU 44 166.441 -4.598 11.591 384 1HG GLU 44 HG2 GLU 44 167.600 -7.193 11.430 385 2HG GLU 44 HG1 GLU 44 168.859 -5.988 11.173 386 HA PRO 45 HA PRO 45 161.914 -6.672 12.037 387 1HB PRO 45 HB2 PRO 45 162.936 -6.134 14.689 388 2HB PRO 45 HB1 PRO 45 162.167 -7.594 14.085 389 1HG PRO 45 HG2 PRO 45 165.005 -7.007 14.452 390 2HG PRO 45 HG1 PRO 45 164.205 -8.569 14.226 391 1HD PRO 45 HD2 PRO 45 165.798 -7.423 12.343 392 2HD PRO 45 HD1 PRO 45 164.440 -8.496 11.941 393 H GLN 46 HN GLN 46 164.264 -4.467 13.542 394 HA GLN 46 HA GLN 46 162.214 -2.384 13.605 395 1HB GLN 46 HB2 GLN 46 163.778 -3.246 15.572 396 2HB GLN 46 HB1 GLN 46 164.857 -2.021 14.909 397 1HG GLN 46 HG2 GLN 46 163.773 -0.514 16.109 398 2HG GLN 46 HG1 GLN 46 162.365 -0.780 15.082 399 1HE2 GLN 46 HE21 GLN 46 161.320 -3.060 15.765 400 2HE2 GLN 46 HE22 GLN 46 160.917 -3.133 17.444 401 H GLY 47 HN GLY 47 163.404 -2.890 11.052 402 1HA GLY 47 HA2 GLY 47 163.708 -0.766 9.701 403 2HA GLY 47 HA1 GLY 47 165.091 -0.484 10.739 404 H PHE 48 HN PHE 48 165.578 -0.380 8.167 405 HA PHE 48 HA PHE 48 166.348 -2.915 7.035 406 1HB PHE 48 HB2 PHE 48 166.529 -0.047 6.198 407 2HB PHE 48 HB1 PHE 48 167.566 -1.222 5.404 408 HD1 PHE 48 HD1 PHE 48 165.160 -3.386 5.804 409 HD2 PHE 48 HD2 PHE 48 165.611 0.431 3.975 410 HE1 PHE 48 HE1 PHE 48 163.341 -3.923 4.240 411 HE2 PHE 48 HE2 PHE 48 163.796 -0.098 2.409 412 HZ PHE 48 HZ PHE 48 162.654 -2.279 2.539 413 H VAL 49 HN VAL 49 168.466 -3.614 6.621 414 HA VAL 49 HA VAL 49 170.504 -2.449 8.406 415 HB VAL 49 HB VAL 49 170.648 -5.222 7.253 416 1HG1 VAL 49 HG11 VAL 49 172.617 -3.990 8.346 417 2HG1 VAL 49 HG12 VAL 49 172.259 -5.629 8.888 418 3HG1 VAL 49 HG13 VAL 49 171.755 -4.249 9.863 419 1HG2 VAL 49 HG21 VAL 49 168.507 -4.983 8.459 420 2HG2 VAL 49 HG22 VAL 49 169.402 -4.477 9.893 421 3HG2 VAL 49 HG23 VAL 49 169.617 -6.104 9.247 422 H ALA 50 HN ALA 50 171.807 -1.150 7.260 423 HA ALA 50 HA ALA 50 172.582 -1.962 4.546 424 1HB ALA 50 HB1 ALA 50 173.564 0.635 5.178 425 2HB ALA 50 HB2 ALA 50 171.872 0.543 5.662 426 3HB ALA 50 HB3 ALA 50 172.335 0.175 4.002 427 H ASP 51 HN ASP 51 173.967 -3.605 5.630 428 HA ASP 51 HA ASP 51 176.384 -2.547 6.872 429 1HB ASP 51 HB2 ASP 51 175.036 -5.173 6.755 430 2HB ASP 51 HB1 ASP 51 176.796 -5.226 6.764 431 H ALA 52 HN ALA 52 177.413 -1.555 5.131 432 HA ALA 52 HA ALA 52 178.174 -3.270 2.875 433 1HB ALA 52 HB1 ALA 52 177.424 -1.379 1.874 434 2HB ALA 52 HB2 ALA 52 179.099 -0.885 2.125 435 3HB ALA 52 HB3 ALA 52 177.845 -0.351 3.244 436 H THR 53 HN THR 53 180.222 -3.946 2.588 437 HA THR 53 HA THR 53 182.297 -2.835 4.363 438 HB THR 53 HB THR 53 183.187 -5.359 3.645 439 HG1 THR 53 HG1 THR 53 181.376 -6.689 4.201 440 1HG2 THR 53 HG21 THR 53 182.721 -6.030 5.923 441 2HG2 THR 53 HG22 THR 53 181.643 -4.648 6.126 442 3HG2 THR 53 HG23 THR 53 183.370 -4.392 5.878 443 H ILE 54 HN ILE 54 183.594 -1.585 3.173 444 HA ILE 54 HA ILE 54 184.210 -2.407 0.421 445 HB ILE 54 HB ILE 54 184.802 0.270 1.675 446 1HG1 ILE 54 HG12 ILE 54 182.477 -0.324 -0.147 447 2HG1 ILE 54 HG11 ILE 54 182.326 -0.416 1.605 448 1HG2 ILE 54 HG21 ILE 54 186.111 -0.277 -0.307 449 2HG2 ILE 54 HG22 ILE 54 184.963 1.020 -0.644 450 3HG2 ILE 54 HG23 ILE 54 184.629 -0.620 -1.200 451 1HD1 ILE 54 HD11 ILE 54 181.653 1.752 0.400 452 2HD1 ILE 54 HD12 ILE 54 183.388 2.052 0.302 453 3HD1 ILE 54 HD13 ILE 54 182.613 1.861 1.874 454 H ASN 55 HN ASN 55 186.273 -2.746 -0.273 455 HA ASN 55 HA ASN 55 188.293 -3.024 1.825 456 1HB ASN 55 HB2 ASN 55 187.538 -4.766 -0.122 457 2HB ASN 55 HB1 ASN 55 188.921 -3.991 -0.890 458 1HD2 ASN 55 HD21 ASN 55 190.479 -3.497 1.356 459 2HD2 ASN 55 HD22 ASN 55 191.018 -5.007 2.001 460 H THR 56 HN THR 56 189.144 -1.010 2.079 461 HA THR 56 HA THR 56 190.097 0.457 -0.258 462 HB THR 56 HB THR 56 190.097 2.347 1.045 463 HG1 THR 56 HG1 THR 56 190.874 2.438 3.028 464 1HG2 THR 56 HG21 THR 56 187.885 0.818 1.458 465 2HG2 THR 56 HG22 THR 56 188.081 2.491 1.974 466 3HG2 THR 56 HG23 THR 56 188.399 1.177 3.107 467 HA PRO 57 HA PRO 57 194.360 -0.626 0.169 468 1HB PRO 57 HB2 PRO 57 195.647 1.775 -0.043 469 2HB PRO 57 HB1 PRO 57 194.945 0.919 -1.421 470 1HG PRO 57 HG2 PRO 57 193.812 3.184 0.179 471 2HG PRO 57 HG1 PRO 57 193.817 2.947 -1.578 472 1HD PRO 57 HD2 PRO 57 191.642 2.428 -0.095 473 2HD PRO 57 HD1 PRO 57 192.060 1.439 -1.509 474 H ASN 58 HN ASN 58 193.201 2.017 2.181 475 HA ASN 58 HA ASN 58 195.372 1.692 4.082 476 1HB ASN 58 HB2 ASN 58 194.059 3.893 3.359 477 2HB ASN 58 HB1 ASN 58 193.007 3.404 4.685 478 1HD2 ASN 58 HD21 ASN 58 195.356 5.432 4.027 479 2HD2 ASN 58 HD22 ASN 58 196.211 5.466 5.528 480 H GLY 59 HN GLY 59 192.337 0.299 3.538 481 1HA GLY 59 HA2 GLY 59 192.380 -1.549 5.522 482 2HA GLY 59 HA1 GLY 59 191.654 -0.153 6.304 483 H VAL 60 HN VAL 60 189.643 -1.058 6.594 484 HA VAL 60 HA VAL 60 188.129 -1.606 4.124 485 HB VAL 60 HB VAL 60 187.568 -2.815 6.834 486 1HG1 VAL 60 HG11 VAL 60 185.665 -2.536 5.222 487 2HG1 VAL 60 HG12 VAL 60 185.989 -4.198 5.712 488 3HG1 VAL 60 HG13 VAL 60 186.518 -3.627 4.131 489 1HG2 VAL 60 HG21 VAL 60 189.287 -3.726 4.586 490 2HG2 VAL 60 HG22 VAL 60 188.322 -4.932 5.439 491 3HG2 VAL 60 HG23 VAL 60 189.485 -3.948 6.324 492 H LEU 61 HN LEU 61 186.624 -0.126 3.730 493 HA LEU 61 HA LEU 61 185.697 1.604 5.885 494 1HB LEU 61 HB2 LEU 61 185.534 1.703 2.894 495 2HB LEU 61 HB1 LEU 61 184.475 2.704 3.869 496 HG LEU 61 HG LEU 61 187.491 2.767 3.997 497 1HD1 LEU 61 HD11 LEU 61 186.024 5.103 3.004 498 2HD1 LEU 61 HD12 LEU 61 185.986 3.697 1.940 499 3HD1 LEU 61 HD13 LEU 61 187.531 4.381 2.443 500 1HD2 LEU 61 HD21 LEU 61 185.386 4.522 5.256 501 2HD2 LEU 61 HD22 LEU 61 187.122 4.827 5.290 502 3HD2 LEU 61 HD23 LEU 61 186.462 3.406 6.095 503 H VAL 62 HN VAL 62 184.215 0.503 7.066 504 HA VAL 62 HA VAL 62 182.077 -0.931 5.707 505 HB VAL 62 HB VAL 62 183.162 -2.017 7.614 506 1HG1 VAL 62 HG11 VAL 62 183.183 0.464 8.766 507 2HG1 VAL 62 HG12 VAL 62 183.525 -1.052 9.599 508 3HG1 VAL 62 HG13 VAL 62 181.905 -0.357 9.663 509 1HG2 VAL 62 HG21 VAL 62 180.293 -1.268 8.172 510 2HG2 VAL 62 HG22 VAL 62 181.145 -2.669 8.821 511 3HG2 VAL 62 HG23 VAL 62 180.834 -2.551 7.089 512 H ALA 63 HN ALA 63 180.424 0.285 5.028 513 HA ALA 63 HA ALA 63 179.588 2.612 6.577 514 1HB ALA 63 HB1 ALA 63 179.369 3.401 4.500 515 2HB ALA 63 HB2 ALA 63 177.884 2.454 4.423 516 3HB ALA 63 HB3 ALA 63 179.389 1.787 3.791 517 H SER 64 HN SER 64 178.255 2.178 8.222 518 HA SER 64 HA SER 64 176.274 0.042 7.927 519 1HB SER 64 HB2 SER 64 176.043 0.943 10.519 520 2HB SER 64 HB1 SER 64 177.041 -0.415 9.998 521 HG SER 64 HG SER 64 177.823 2.268 10.439 522 H GLY 65 HN GLY 65 174.195 0.449 7.631 523 1HA GLY 65 HA2 GLY 65 173.150 3.103 8.361 524 2HA GLY 65 HA1 GLY 65 172.841 2.442 6.761 525 H LYS 66 HN LYS 66 171.550 2.834 9.766 526 HA LYS 66 HA LYS 66 169.761 0.520 9.398 527 1HB LYS 66 HB2 LYS 66 171.180 0.217 11.367 528 2HB LYS 66 HB1 LYS 66 170.665 1.777 11.995 529 1HG LYS 66 HG2 LYS 66 168.278 0.523 11.633 530 2HG LYS 66 HG1 LYS 66 169.330 -0.825 12.075 531 1HD LYS 66 HD2 LYS 66 169.629 -0.070 14.189 532 2HD LYS 66 HD1 LYS 66 169.608 1.626 13.697 533 1HE LYS 66 HE2 LYS 66 167.678 1.103 15.085 534 2HE LYS 66 HE1 LYS 66 167.178 1.524 13.447 535 1HZ LYS 66 HZ1 LYS 66 167.630 -1.302 13.976 536 2HZ LYS 66 HZ2 LYS 66 166.435 -0.552 13.043 537 3HZ LYS 66 HZ3 LYS 66 166.281 -0.609 14.727 538 H HIS 67 HN HIS 67 167.698 1.027 9.030 539 HA HIS 67 HA HIS 67 166.231 2.945 10.433 540 1HB HIS 67 HB2 HIS 67 167.883 4.273 8.758 541 2HB HIS 67 HB1 HIS 67 166.501 4.031 7.693 542 HD1 HIS 67 HD1 HIS 67 167.475 5.721 10.910 543 HD2 HIS 67 HD2 HIS 67 164.287 5.595 8.248 544 HE1 HIS 67 HE1 HIS 67 165.947 7.593 11.604 545 HE2 HIS 67 HE2 HIS 67 163.981 7.440 10.035 546 H GLU 68 HN GLU 68 164.043 3.020 9.820 547 HA GLU 68 HA GLU 68 163.069 0.684 8.584 548 1HB GLU 68 HB2 GLU 68 161.952 3.048 9.878 549 2HB GLU 68 HB1 GLU 68 160.951 2.477 8.551 550 1HG GLU 68 HG2 GLU 68 161.894 0.811 10.873 551 2HG GLU 68 HG1 GLU 68 160.287 1.513 10.694 552 H ASP 69 HN ASP 69 163.303 4.031 7.451 553 HA ASP 69 HA ASP 69 162.130 3.399 4.898 554 1HB ASP 69 HB2 ASP 69 162.734 5.775 6.354 555 2HB ASP 69 HB1 ASP 69 163.533 5.880 4.788 556 H MET 70 HN MET 70 163.167 3.390 2.894 557 HA MET 70 HA MET 70 165.719 2.160 2.893 558 1HB MET 70 HB2 MET 70 164.778 1.390 1.017 559 2HB MET 70 HB1 MET 70 163.582 2.670 1.016 560 1HG MET 70 HG2 MET 70 165.963 3.845 0.099 561 2HG MET 70 HG1 MET 70 165.852 2.281 -0.692 562 1HE MET 70 HE1 MET 70 163.977 1.794 -2.732 563 2HE MET 70 HE2 MET 70 162.373 2.453 -2.410 564 3HE MET 70 HE3 MET 70 163.209 1.518 -1.169 565 H TYR 71 HN TYR 71 164.651 5.325 1.616 566 HA TYR 71 HA TYR 71 167.174 6.237 0.864 567 1HB TYR 71 HB2 TYR 71 164.629 7.640 1.592 568 2HB TYR 71 HB1 TYR 71 166.086 8.568 1.267 569 HD1 TYR 71 HD1 TYR 71 164.373 9.477 -0.517 570 HD2 TYR 71 HD2 TYR 71 166.145 5.612 -0.652 571 HE1 TYR 71 HE1 TYR 71 163.911 9.351 -2.929 572 HE2 TYR 71 HE2 TYR 71 165.693 5.475 -3.055 573 HH TYR 71 HH TYR 71 163.804 6.702 -4.646 574 H THR 72 HN THR 72 165.647 6.188 4.014 575 HA THR 72 HA THR 72 167.442 8.004 5.263 576 HB THR 72 HB THR 72 166.655 6.651 7.372 577 HG1 THR 72 HG1 THR 72 165.815 4.924 6.033 578 1HG2 THR 72 HG21 THR 72 164.425 7.996 5.918 579 2HG2 THR 72 HG22 THR 72 165.813 8.922 6.488 580 3HG2 THR 72 HG23 THR 72 164.822 8.022 7.636 581 H ALA 73 HN ALA 73 167.376 4.492 4.880 582 HA ALA 73 HA ALA 73 169.599 3.880 6.483 583 1HB ALA 73 HB1 ALA 73 168.562 1.941 5.973 584 2HB ALA 73 HB2 ALA 73 169.692 1.927 4.620 585 3HB ALA 73 HB3 ALA 73 168.044 2.511 4.387 586 H ILE 74 HN ILE 74 169.323 5.018 3.189 587 HA ILE 74 HA ILE 74 171.989 4.465 2.384 588 HB ILE 74 HB ILE 74 170.753 6.853 1.172 589 1HG1 ILE 74 HG12 ILE 74 168.753 5.424 1.671 590 2HG1 ILE 74 HG11 ILE 74 169.026 5.712 -0.036 591 1HG2 ILE 74 HG21 ILE 74 171.668 4.330 -0.166 592 2HG2 ILE 74 HG22 ILE 74 172.796 5.560 0.401 593 3HG2 ILE 74 HG23 ILE 74 171.595 5.964 -0.823 594 1HD1 ILE 74 HD11 ILE 74 168.600 3.504 -0.134 595 2HD1 ILE 74 HD12 ILE 74 169.173 3.204 1.508 596 3HD1 ILE 74 HD13 ILE 74 170.330 3.406 0.193 597 H ASN 75 HN ASN 75 170.460 7.547 3.324 598 HA ASN 75 HA ASN 75 172.688 9.158 3.341 599 1HB ASN 75 HB2 ASN 75 170.203 9.193 5.040 600 2HB ASN 75 HB1 ASN 75 171.448 10.428 5.204 601 1HD2 ASN 75 HD21 ASN 75 169.117 8.987 3.026 602 2HD2 ASN 75 HD22 ASN 75 169.002 10.336 1.949 603 H GLU 76 HN GLU 76 171.533 7.018 5.908 604 HA GLU 76 HA GLU 76 173.378 7.790 7.882 605 1HB GLU 76 HB2 GLU 76 171.281 5.974 7.688 606 2HB GLU 76 HB1 GLU 76 172.688 4.962 7.980 607 1HG GLU 76 HG2 GLU 76 172.603 7.294 9.711 608 2HG GLU 76 HG1 GLU 76 171.188 6.256 9.884 609 H LEU 77 HN LEU 77 173.544 5.385 5.301 610 HA LEU 77 HA LEU 77 175.936 4.142 6.068 611 1HB LEU 77 HB2 LEU 77 175.024 2.898 4.429 612 2HB LEU 77 HB1 LEU 77 174.259 4.276 3.670 613 HG LEU 77 HG LEU 77 177.198 4.022 3.316 614 1HD1 LEU 77 HD11 LEU 77 176.038 1.707 3.054 615 2HD1 LEU 77 HD12 LEU 77 177.167 2.273 1.822 616 3HD1 LEU 77 HD13 LEU 77 175.429 2.394 1.548 617 1HD2 LEU 77 HD21 LEU 77 174.917 5.303 2.050 618 2HD2 LEU 77 HD22 LEU 77 175.950 4.466 0.892 619 3HD2 LEU 77 HD23 LEU 77 176.633 5.697 1.955 620 H ILE 78 HN ILE 78 175.435 6.786 3.718 621 HA ILE 78 HA ILE 78 178.136 7.221 3.142 622 HB ILE 78 HB ILE 78 176.392 8.173 1.755 623 1HG1 ILE 78 HG12 ILE 78 177.793 10.551 2.946 624 2HG1 ILE 78 HG11 ILE 78 178.707 9.304 2.103 625 1HG2 ILE 78 HG21 ILE 78 175.739 9.848 4.170 626 2HG2 ILE 78 HG22 ILE 78 174.703 8.672 3.362 627 3HG2 ILE 78 HG23 ILE 78 175.132 10.175 2.546 628 1HD1 ILE 78 HD11 ILE 78 176.379 10.735 0.862 629 2HD1 ILE 78 HD12 ILE 78 177.601 9.740 0.067 630 3HD1 ILE 78 HD13 ILE 78 178.043 11.309 0.742 631 H ASN 79 HN ASN 79 176.089 8.520 5.708 632 HA ASN 79 HA ASN 79 177.872 10.472 6.666 633 1HB ASN 79 HB2 ASN 79 175.734 8.896 8.114 634 2HB ASN 79 HB1 ASN 79 176.574 10.284 8.798 635 1HD2 ASN 79 HD21 ASN 79 173.748 9.946 8.265 636 2HD2 ASN 79 HD22 ASN 79 173.301 11.213 7.179 637 H LYS 80 HN LYS 80 177.255 7.187 7.912 638 HA LYS 80 HA LYS 80 179.278 7.140 9.825 639 1HB LYS 80 HB2 LYS 80 177.676 5.116 8.377 640 2HB LYS 80 HB1 LYS 80 179.177 4.537 9.086 641 1HG LYS 80 HG2 LYS 80 177.283 4.220 10.587 642 2HG LYS 80 HG1 LYS 80 178.477 5.323 11.272 643 1HD LYS 80 HD2 LYS 80 176.922 7.123 10.084 644 2HD LYS 80 HD1 LYS 80 175.716 5.856 10.319 645 1HE LYS 80 HE2 LYS 80 177.448 7.079 12.464 646 2HE LYS 80 HE1 LYS 80 175.739 7.422 12.194 647 1HZ LYS 80 HZ1 LYS 80 175.635 4.798 12.438 648 2HZ LYS 80 HZ2 LYS 80 175.528 5.836 13.769 649 3HZ LYS 80 HZ3 LYS 80 176.999 5.087 13.398 650 H LEU 81 HN LEU 81 179.391 6.651 6.374 651 HA LEU 81 HA LEU 81 181.923 5.430 6.193 652 1HB LEU 81 HB2 LEU 81 180.039 5.789 4.413 653 2HB LEU 81 HB1 LEU 81 180.891 7.284 4.082 654 HG LEU 81 HG LEU 81 181.898 5.963 2.534 655 1HD1 LEU 81 HD11 LEU 81 184.053 5.148 3.292 656 2HD1 LEU 81 HD12 LEU 81 183.498 5.182 4.966 657 3HD1 LEU 81 HD13 LEU 81 183.670 6.688 4.064 658 1HD2 LEU 81 HD21 LEU 81 180.551 3.998 3.012 659 2HD2 LEU 81 HD22 LEU 81 181.589 3.604 4.382 660 3HD2 LEU 81 HD23 LEU 81 182.235 3.553 2.743 661 H GLU 82 HN GLU 82 180.968 8.841 5.768 662 HA GLU 82 HA GLU 82 183.466 9.931 5.316 663 1HB GLU 82 HB2 GLU 82 180.942 10.984 6.519 664 2HB GLU 82 HB1 GLU 82 182.394 11.970 6.614 665 1HG GLU 82 HG2 GLU 82 182.231 12.582 4.489 666 2HG GLU 82 HG1 GLU 82 181.982 10.921 3.949 667 H ARG 83 HN ARG 83 181.889 9.203 8.395 668 HA ARG 83 HA ARG 83 183.856 10.338 10.063 669 1HB ARG 83 HB2 ARG 83 181.406 9.098 10.424 670 2HB ARG 83 HB1 ARG 83 182.536 7.989 11.188 671 1HG ARG 83 HG2 ARG 83 182.453 10.932 11.791 672 2HG ARG 83 HG1 ARG 83 181.533 9.725 12.691 673 1HD ARG 83 HD2 ARG 83 184.532 9.836 12.385 674 2HD ARG 83 HD1 ARG 83 183.613 10.234 13.837 675 HE ARG 83 HE ARG 83 182.878 7.679 13.285 676 1HH1 ARG 83 HH11 ARG 83 185.951 9.270 13.735 677 2HH1 ARG 83 HH12 ARG 83 186.729 7.860 14.368 678 1HH2 ARG 83 HH21 ARG 83 183.901 5.822 14.115 679 2HH2 ARG 83 HH22 ARG 83 185.567 5.901 14.583 680 H GLN 84 HN GLN 84 183.530 7.153 8.602 681 HA GLN 84 HA GLN 84 185.585 5.867 10.036 682 1HB GLN 84 HB2 GLN 84 184.390 5.346 7.316 683 2HB GLN 84 HB1 GLN 84 185.617 4.309 8.029 684 1HG GLN 84 HG2 GLN 84 184.173 3.352 9.448 685 2HG GLN 84 HG1 GLN 84 183.317 4.861 9.760 686 1HE2 GLN 84 HE21 GLN 84 183.909 3.267 6.671 687 2HE2 GLN 84 HE22 GLN 84 182.246 2.998 6.284 688 H LEU 85 HN LEU 85 185.631 7.258 6.750 689 HA LEU 85 HA LEU 85 188.355 6.901 6.268 690 1HB LEU 85 HB2 LEU 85 186.341 8.867 5.216 691 2HB LEU 85 HB1 LEU 85 188.014 8.912 4.691 692 HG LEU 85 HG LEU 85 186.321 6.434 4.449 693 1HD1 LEU 85 HD11 LEU 85 185.094 7.621 2.987 694 2HD1 LEU 85 HD12 LEU 85 186.479 7.377 1.923 695 3HD1 LEU 85 HD13 LEU 85 186.314 8.881 2.825 696 1HD2 LEU 85 HD21 LEU 85 188.427 5.686 4.083 697 2HD2 LEU 85 HD22 LEU 85 189.032 7.277 3.625 698 3HD2 LEU 85 HD23 LEU 85 188.112 6.318 2.467 699 H ASN 86 HN ASN 86 186.652 9.405 8.018 700 HA ASN 86 HA ASN 86 188.650 11.351 8.130 701 1HB ASN 86 HB2 ASN 86 186.332 10.646 9.893 702 2HB ASN 86 HB1 ASN 86 187.484 11.869 10.419 703 1HD2 ASN 86 HD21 ASN 86 184.693 12.195 9.785 704 2HD2 ASN 86 HD22 ASN 86 184.608 13.336 8.490 705 H LYS 87 HN LYS 87 187.872 8.884 10.603 706 HA LYS 87 HA LYS 87 190.207 9.428 12.128 707 1HB LYS 87 HB2 LYS 87 189.554 7.638 13.525 708 2HB LYS 87 HB1 LYS 87 188.058 8.372 12.965 709 1HG LYS 87 HG2 LYS 87 187.559 6.163 12.703 710 2HG LYS 87 HG1 LYS 87 188.219 6.525 11.108 711 1HD LYS 87 HD2 LYS 87 190.066 5.259 11.440 712 2HD LYS 87 HD1 LYS 87 190.176 5.684 13.148 713 1HE LYS 87 HE2 LYS 87 187.819 4.096 12.593 714 2HE LYS 87 HE1 LYS 87 189.292 3.275 12.077 715 1HZ LYS 87 HZ1 LYS 87 189.304 4.519 14.720 716 2HZ LYS 87 HZ2 LYS 87 190.041 3.091 14.194 717 3HZ LYS 87 HZ3 LYS 87 188.385 3.111 14.533 718 H LEU 88 HN LEU 88 189.437 7.080 9.621 719 HA LEU 88 HA LEU 88 191.732 5.469 9.923 720 1HB LEU 88 HB2 LEU 88 189.477 5.296 8.443 721 2HB LEU 88 HB1 LEU 88 190.617 5.790 7.206 722 HG LEU 88 HG LEU 88 191.399 3.524 8.967 723 1HD1 LEU 88 HD11 LEU 88 189.981 1.979 8.107 724 2HD1 LEU 88 HD12 LEU 88 189.772 2.850 6.588 725 3HD1 LEU 88 HD13 LEU 88 188.912 3.379 8.033 726 1HD2 LEU 88 HD21 LEU 88 192.965 4.301 7.318 727 2HD2 LEU 88 HD22 LEU 88 191.748 4.191 6.049 728 3HD2 LEU 88 HD23 LEU 88 192.353 2.725 6.820 729 H GLN 89 HN GLN 89 191.080 8.332 7.954 730 HA GLN 89 HA GLN 89 193.613 8.282 6.631 731 1HB GLN 89 HB2 GLN 89 191.389 10.284 6.850 732 2HB GLN 89 HB1 GLN 89 192.921 10.732 6.113 733 1HG GLN 89 HG2 GLN 89 191.438 8.303 5.195 734 2HG GLN 89 HG1 GLN 89 190.999 9.910 4.613 735 1HE2 GLN 89 HE21 GLN 89 191.616 9.561 2.518 736 2HE2 GLN 89 HE22 GLN 89 193.262 9.365 2.035 737 H HIS 90 HN HIS 90 192.307 9.891 9.472 738 HA HIS 90 HA HIS 90 194.418 11.689 9.908 739 1HB HIS 90 HB2 HIS 90 192.966 12.352 11.471 740 2HB HIS 90 HB1 HIS 90 192.031 10.880 11.258 741 HD1 HIS 90 HD1 HIS 90 194.767 12.343 13.389 742 HD2 HIS 90 HD2 HIS 90 192.266 9.026 13.296 743 HE1 HIS 90 HE1 HIS 90 195.059 11.219 15.619 744 HE2 HIS 90 HE2 HIS 90 193.605 9.165 15.505 745 H LYS 91 HN LYS 91 194.072 8.292 10.606 746 HA LYS 91 HA LYS 91 196.051 7.952 12.534 747 1HB LYS 91 HB2 LYS 91 195.156 6.103 10.318 748 2HB LYS 91 HB1 LYS 91 196.232 5.616 11.622 749 1HG LYS 91 HG2 LYS 91 194.079 6.761 12.929 750 2HG LYS 91 HG1 LYS 91 193.349 5.872 11.590 751 1HD LYS 91 HD2 LYS 91 195.447 4.578 13.284 752 2HD LYS 91 HD1 LYS 91 193.782 4.669 13.856 753 1HE LYS 91 HE2 LYS 91 193.636 3.795 11.195 754 2HE LYS 91 HE1 LYS 91 194.958 2.889 11.928 755 1HZ LYS 91 HZ1 LYS 91 193.566 1.784 13.284 756 2HZ LYS 91 HZ2 LYS 91 192.412 2.165 12.108 757 3HZ LYS 91 HZ3 LYS 91 192.531 3.103 13.511 758 H GLY 92 HN GLY 92 196.402 7.393 9.021 759 1HA GLY 92 HA2 GLY 92 198.412 8.740 8.138 760 2HA GLY 92 HA1 GLY 92 199.298 7.815 9.342 761 H GLU 93 HN GLU 93 200.529 6.433 8.242 762 HA GLU 93 HA GLU 93 199.347 4.278 6.820 763 1HB GLU 93 HB2 GLU 93 200.952 5.006 4.742 764 2HB GLU 93 HB1 GLU 93 199.217 5.270 4.801 765 1HG GLU 93 HG2 GLU 93 200.521 7.249 4.085 766 2HG GLU 93 HG1 GLU 93 199.512 7.531 5.502 767 H ALA 94 HN ALA 94 200.660 3.547 8.715 768 HA ALA 94 HA ALA 94 203.449 3.087 7.878 769 1HB ALA 94 HB1 ALA 94 203.870 2.882 10.417 770 2HB ALA 94 HB2 ALA 94 202.357 3.774 10.580 771 3HB ALA 94 HB3 ALA 94 203.713 4.490 9.710 772 H ARG 95 HN ARG 95 203.467 1.050 7.154 773 HA ARG 95 HA ARG 95 203.217 -1.132 8.892 774 1HB ARG 95 HB2 ARG 95 200.732 -0.315 8.251 775 2HB ARG 95 HB1 ARG 95 201.042 -1.390 6.894 776 1HG ARG 95 HG2 ARG 95 201.419 -2.236 9.751 777 2HG ARG 95 HG1 ARG 95 199.886 -2.403 8.893 778 1HD ARG 95 HD2 ARG 95 202.090 -3.431 7.328 779 2HD ARG 95 HD1 ARG 95 202.007 -4.208 8.909 780 HE ARG 95 HE ARG 95 199.439 -4.110 7.732 781 1HH1 ARG 95 HH11 ARG 95 202.498 -5.769 7.468 782 2HH1 ARG 95 HH12 ARG 95 201.802 -7.211 6.809 783 1HH2 ARG 95 HH21 ARG 95 198.521 -6.007 6.869 784 2HH2 ARG 95 HH22 ARG 95 199.545 -7.347 6.469 785 H ARG 96 HN ARG 96 202.259 -0.685 5.485 786 HA ARG 96 HA ARG 96 203.736 -2.909 4.566 787 1HB ARG 96 HB2 ARG 96 201.816 -1.990 3.344 788 2HB ARG 96 HB1 ARG 96 202.717 -0.513 3.028 789 1HG ARG 96 HG2 ARG 96 204.410 -1.963 1.830 790 2HG ARG 96 HG1 ARG 96 203.222 -3.264 1.936 791 1HD ARG 96 HD2 ARG 96 202.556 -0.578 0.766 792 2HD ARG 96 HD1 ARG 96 203.258 -1.871 -0.205 793 HE ARG 96 HE ARG 96 201.087 -2.989 1.062 794 1HH1 ARG 96 HH11 ARG 96 201.625 -0.330 -1.134 795 2HH1 ARG 96 HH12 ARG 96 200.063 -0.457 -1.868 796 1HH2 ARG 96 HH21 ARG 96 199.033 -3.158 0.097 797 2HH2 ARG 96 HH22 ARG 96 198.591 -2.063 -1.170 798 H ALA 97 HN ALA 97 205.674 -3.027 3.418 799 HA ALA 97 HA ALA 97 207.624 -1.021 4.164 800 1HB ALA 97 HB1 ALA 97 208.146 -3.474 2.507 801 2HB ALA 97 HB2 ALA 97 208.000 -3.530 4.264 802 3HB ALA 97 HB3 ALA 97 209.276 -2.570 3.515 803 H ALA 98 HN ALA 98 209.253 -0.312 2.508 804 HA ALA 98 HA ALA 98 208.559 -0.262 -0.247 805 1HB ALA 98 HB1 ALA 98 208.200 2.282 -0.273 806 2HB ALA 98 HB2 ALA 98 207.807 2.102 1.437 807 3HB ALA 98 HB3 ALA 98 206.852 1.256 0.219 808 H THR 99 HN THR 99 210.860 -0.787 1.399 809 HA THR 99 HA THR 99 212.661 1.445 0.846 810 HB THR 99 HB THR 99 212.736 0.357 3.064 811 HG1 THR 99 HG1 THR 99 215.035 0.113 1.432 812 1HG2 THR 99 HG21 THR 99 213.288 -1.816 3.463 813 2HG2 THR 99 HG22 THR 99 214.112 -2.008 1.914 814 3HG2 THR 99 HG23 THR 99 212.350 -1.997 1.980 815 H SER 100 HN SER 100 211.476 -0.721 -1.094 816 HA SER 100 HA SER 100 213.781 -2.078 -2.104 817 1HB SER 100 HB2 SER 100 212.352 -2.981 -3.742 818 2HB SER 100 HB1 SER 100 211.307 -2.764 -2.339 819 HG SER 100 HG SER 100 210.129 -1.524 -3.537 820 H VAL 101 HN VAL 101 212.592 1.093 -2.429 821 HA VAL 101 HA VAL 101 213.597 1.600 -5.070 822 HB VAL 101 HB VAL 101 212.858 3.607 -2.937 823 1HG1 VAL 101 HG11 VAL 101 212.255 4.734 -5.333 824 2HG1 VAL 101 HG12 VAL 101 213.692 3.796 -5.745 825 3HG1 VAL 101 HG13 VAL 101 213.762 4.997 -4.454 826 1HG2 VAL 101 HG21 VAL 101 210.941 2.257 -3.237 827 2HG2 VAL 101 HG22 VAL 101 211.175 2.183 -4.984 828 3HG2 VAL 101 HG23 VAL 101 210.678 3.695 -4.223 829 H LYS 102 HN LYS 102 214.515 3.060 -1.942 830 HA LYS 102 HA LYS 102 217.166 3.617 -2.993 831 1HB LYS 102 HB2 LYS 102 215.738 4.368 -0.450 832 2HB LYS 102 HB1 LYS 102 217.453 4.682 -0.678 833 1HG LYS 102 HG2 LYS 102 215.315 5.684 -2.542 834 2HG LYS 102 HG1 LYS 102 215.945 6.609 -1.176 835 1HD LYS 102 HD2 LYS 102 217.949 6.994 -2.188 836 2HD LYS 102 HD1 LYS 102 217.920 5.467 -3.073 837 1HE LYS 102 HE2 LYS 102 215.914 6.610 -4.329 838 2HE LYS 102 HE1 LYS 102 216.681 8.091 -3.758 839 1HZ LYS 102 HZ1 LYS 102 217.456 6.367 -5.887 840 2HZ LYS 102 HZ2 LYS 102 218.726 6.579 -4.790 841 3HZ LYS 102 HZ3 LYS 102 218.003 7.925 -5.515 842 H ASP 103 HN ASP 103 218.029 1.525 -3.156 843 HA ASP 103 HA ASP 103 219.399 0.611 -0.851 844 1HB ASP 103 HB2 ASP 103 218.370 -1.658 -0.738 845 2HB ASP 103 HB1 ASP 103 217.282 -0.372 -0.227 846 H ALA 104 HN ALA 104 219.969 1.386 -3.556 847 HA ALA 104 HA ALA 104 220.487 -0.860 -5.198 848 1HB ALA 104 HB1 ALA 104 221.949 1.768 -5.295 849 2HB ALA 104 HB2 ALA 104 220.327 1.535 -5.946 850 3HB ALA 104 HB3 ALA 104 221.683 0.624 -6.610 851 H ASN 105 HN ASN 105 221.734 -2.476 -4.494 852 HA ASN 105 HA ASN 105 224.031 -2.017 -2.816 853 1HB ASN 105 HB2 ASN 105 224.319 -4.508 -3.033 854 2HB ASN 105 HB1 ASN 105 222.759 -4.003 -2.389 855 1HD2 ASN 105 HD21 ASN 105 222.850 -6.465 -3.302 856 2HD2 ASN 105 HD22 ASN 105 222.065 -6.616 -4.833 857 H PHE 106 HN PHE 106 223.533 -1.755 -6.092 858 HA PHE 106 HA PHE 106 226.158 -2.763 -6.860 859 1HB PHE 106 HB2 PHE 106 225.398 -2.043 -9.175 860 2HB PHE 106 HB1 PHE 106 224.467 -3.333 -8.423 861 HD1 PHE 106 HD1 PHE 106 224.442 0.154 -9.512 862 HD2 PHE 106 HD2 PHE 106 222.191 -2.967 -7.694 863 HE1 PHE 106 HE1 PHE 106 222.380 1.448 -9.856 864 HE2 PHE 106 HE2 PHE 106 220.123 -1.679 -8.038 865 HZ PHE 106 HZ PHE 106 220.216 0.532 -9.119 866 H VAL 107 HN VAL 107 226.609 -0.806 -5.147 867 HA VAL 107 HA VAL 107 226.672 1.810 -6.193 868 HB VAL 107 HB VAL 107 228.431 2.211 -4.407 869 1HG1 VAL 107 HG11 VAL 107 226.472 2.861 -3.521 870 2HG1 VAL 107 HG12 VAL 107 226.588 1.367 -2.592 871 3HG1 VAL 107 HG13 VAL 107 225.628 1.413 -4.070 872 1HG2 VAL 107 HG21 VAL 107 227.710 -0.550 -3.467 873 2HG2 VAL 107 HG22 VAL 107 228.984 0.517 -2.881 874 3HG2 VAL 107 HG23 VAL 107 229.132 -0.246 -4.464 875 H GLU 108 HN GLU 108 228.737 -0.895 -6.575 876 HA GLU 108 HA GLU 108 230.081 0.025 -8.802 877 1HB GLU 108 HB2 GLU 108 231.136 1.707 -7.411 878 2HB GLU 108 HB1 GLU 108 231.649 0.488 -6.256 879 1HG GLU 108 HG2 GLU 108 232.559 0.214 -9.066 880 2HG GLU 108 HG1 GLU 108 233.277 1.485 -8.080 881 H GLU 109 HN GLU 109 231.712 -1.427 -9.550 882 HA GLU 109 HA GLU 109 231.327 -4.104 -8.556 883 1HB GLU 109 HB2 GLU 109 232.780 -4.760 -10.452 884 2HB GLU 109 HB1 GLU 109 231.419 -3.765 -10.949 885 1HG GLU 109 HG2 GLU 109 233.423 -1.930 -10.468 886 2HG GLU 109 HG1 GLU 109 234.266 -3.291 -11.206 887 H VAL 110 HN VAL 110 232.355 -4.605 -6.725 888 HA VAL 110 HA VAL 110 234.801 -3.483 -5.890 889 HB VAL 110 HB VAL 110 233.179 -4.436 -4.312 890 1HG1 VAL 110 HG11 VAL 110 232.328 -6.329 -5.408 891 2HG1 VAL 110 HG12 VAL 110 233.234 -6.964 -4.036 892 3HG1 VAL 110 HG13 VAL 110 233.934 -7.014 -5.654 893 1HG2 VAL 110 HG21 VAL 110 234.745 -5.100 -2.776 894 2HG2 VAL 110 HG22 VAL 110 235.788 -4.344 -3.982 895 3HG2 VAL 110 HG23 VAL 110 235.620 -6.100 -3.937 896 H GLU 111 HN GLU 111 234.124 -5.934 -8.116 897 HA GLU 111 HA GLU 111 236.755 -7.177 -7.843 898 1HB GLU 111 HB2 GLU 111 234.225 -7.903 -9.260 899 2HB GLU 111 HB1 GLU 111 235.746 -8.576 -9.831 900 1HG GLU 111 HG2 GLU 111 234.694 -8.825 -7.023 901 2HG GLU 111 HG1 GLU 111 234.556 -10.059 -8.272 902 H GLU 112 HN GLU 112 237.623 -4.982 -8.533 903 HA GLU 112 HA GLU 112 238.011 -5.044 -11.435 904 1HB GLU 112 HB2 GLU 112 237.771 -2.640 -11.631 905 2HB GLU 112 HB1 GLU 112 236.300 -3.333 -10.963 906 1HG GLU 112 HG2 GLU 112 236.475 -1.662 -9.489 907 2HG GLU 112 HG1 GLU 112 237.626 -2.733 -8.694 908 H GLU 113 HN GLU 113 239.132 -3.907 -8.285 909 HA GLU 113 HA GLU 113 241.572 -2.805 -9.100 910 1HB GLU 113 HB2 GLU 113 242.272 -3.035 -6.783 911 2HB GLU 113 HB1 GLU 113 240.605 -2.483 -6.856 912 1HG GLU 113 HG2 GLU 113 241.079 -5.400 -6.638 913 2HG GLU 113 HG1 GLU 113 241.390 -4.402 -5.218 Start of MODEL 28 1 1H MET 1 HT1 MET 1 186.651 0.360 -6.659 2 2H MET 1 HT2 MET 1 186.725 -0.922 -7.798 3 3H MET 1 HT3 MET 1 185.645 -1.013 -6.467 4 HA MET 1 HA MET 1 184.672 1.116 -7.400 5 1HB MET 1 HB2 MET 1 185.755 -0.033 -9.959 6 2HB MET 1 HB1 MET 1 185.041 1.549 -9.680 7 1HG MET 1 HG2 MET 1 187.146 2.277 -9.688 8 2HG MET 1 HG1 MET 1 187.211 1.642 -8.045 9 1HE MET 1 HE1 MET 1 189.892 0.109 -7.742 10 2HE MET 1 HE2 MET 1 189.490 1.780 -8.133 11 3HE MET 1 HE3 MET 1 190.632 0.889 -9.140 12 H THR 2 HN THR 2 185.043 -2.265 -7.800 13 HA THR 2 HA THR 2 182.749 -2.803 -9.372 14 HB THR 2 HB THR 2 183.660 -4.786 -7.349 15 HG1 THR 2 HG1 THR 2 185.645 -4.169 -7.881 16 1HG2 THR 2 HG21 THR 2 182.074 -5.529 -8.989 17 2HG2 THR 2 HG22 THR 2 183.634 -6.292 -9.297 18 3HG2 THR 2 HG23 THR 2 183.099 -4.942 -10.299 19 H MET 3 HN MET 3 181.027 -1.593 -8.545 20 HA MET 3 HA MET 3 180.182 -1.537 -5.882 21 1HB MET 3 HB2 MET 3 179.404 -0.099 -7.859 22 2HB MET 3 HB1 MET 3 178.295 -1.414 -8.227 23 1HG MET 3 HG2 MET 3 178.063 -0.785 -5.464 24 2HG MET 3 HG1 MET 3 177.970 0.710 -6.391 25 1HE MET 3 HE1 MET 3 176.962 0.474 -8.738 26 2HE MET 3 HE2 MET 3 175.211 0.625 -8.579 27 3HE MET 3 HE3 MET 3 175.914 -0.857 -9.229 28 H ASN 4 HN ASN 4 180.217 -3.557 -4.931 29 HA ASN 4 HA ASN 4 178.474 -5.627 -6.058 30 1HB ASN 4 HB2 ASN 4 180.425 -5.854 -3.759 31 2HB ASN 4 HB1 ASN 4 179.598 -7.178 -4.573 32 1HD2 ASN 4 HD21 ASN 4 179.946 -7.048 -7.069 33 2HD2 ASN 4 HD22 ASN 4 181.595 -6.866 -7.552 34 H ILE 5 HN ILE 5 176.783 -6.536 -4.919 35 HA ILE 5 HA ILE 5 176.128 -5.436 -2.290 36 HB ILE 5 HB ILE 5 174.002 -5.553 -4.413 37 1HG1 ILE 5 HG12 ILE 5 174.358 -2.930 -4.256 38 2HG1 ILE 5 HG11 ILE 5 176.007 -3.407 -3.868 39 1HG2 ILE 5 HG21 ILE 5 173.341 -5.545 -2.033 40 2HG2 ILE 5 HG22 ILE 5 172.778 -4.120 -2.907 41 3HG2 ILE 5 HG23 ILE 5 174.172 -4.003 -1.835 42 1HD1 ILE 5 HD11 ILE 5 175.509 -4.928 -6.060 43 2HD1 ILE 5 HD12 ILE 5 176.304 -3.354 -6.078 44 3HD1 ILE 5 HD13 ILE 5 174.575 -3.474 -6.412 45 H THR 6 HN THR 6 175.291 -6.928 -0.940 46 HA THR 6 HA THR 6 174.079 -9.346 -2.066 47 HB THR 6 HB THR 6 175.585 -10.228 0.142 48 HG1 THR 6 HG1 THR 6 177.193 -8.878 0.136 49 1HG2 THR 6 HG21 THR 6 175.128 -11.045 -2.451 50 2HG2 THR 6 HG22 THR 6 176.110 -11.873 -1.242 51 3HG2 THR 6 HG23 THR 6 176.869 -10.770 -2.390 52 H SER 7 HN SER 7 172.059 -8.879 -1.312 53 HA SER 7 HA SER 7 171.698 -8.223 1.508 54 1HB SER 7 HB2 SER 7 169.841 -8.263 -0.866 55 2HB SER 7 HB1 SER 7 169.250 -8.050 0.782 56 HG SER 7 HG SER 7 170.556 -6.202 0.947 57 H LYS 8 HN LYS 8 169.911 -9.385 2.702 58 HA LYS 8 HA LYS 8 170.326 -12.245 2.378 59 1HB LYS 8 HB2 LYS 8 169.732 -10.471 4.580 60 2HB LYS 8 HB1 LYS 8 168.616 -11.827 4.558 61 1HG LYS 8 HG2 LYS 8 171.151 -12.922 4.098 62 2HG LYS 8 HG1 LYS 8 171.361 -11.735 5.387 63 1HD LYS 8 HD2 LYS 8 169.333 -13.973 5.351 64 2HD LYS 8 HD1 LYS 8 170.827 -13.946 6.289 65 1HE LYS 8 HE2 LYS 8 169.963 -11.837 7.374 66 2HE LYS 8 HE1 LYS 8 168.417 -12.168 6.594 67 1HZ LYS 8 HZ1 LYS 8 168.716 -14.473 7.727 68 2HZ LYS 8 HZ2 LYS 8 168.135 -13.161 8.623 69 3HZ LYS 8 HZ3 LYS 8 169.753 -13.628 8.764 70 H GLN 9 HN GLN 9 167.341 -10.729 3.542 71 HA GLN 9 HA GLN 9 165.878 -12.353 1.572 72 1HB GLN 9 HB2 GLN 9 164.026 -12.410 3.119 73 2HB GLN 9 HB1 GLN 9 165.486 -12.933 3.947 74 1HG GLN 9 HG2 GLN 9 164.730 -10.069 4.129 75 2HG GLN 9 HG1 GLN 9 163.781 -11.243 5.037 76 1HE2 GLN 9 HE21 GLN 9 166.582 -9.381 4.965 77 2HE2 GLN 9 HE22 GLN 9 167.370 -10.057 6.346 78 H MET 10 HN MET 10 166.236 -9.142 2.912 79 HA MET 10 HA MET 10 163.946 -8.016 1.672 80 1HB MET 10 HB2 MET 10 165.403 -7.101 3.624 81 2HB MET 10 HB1 MET 10 166.393 -6.418 2.342 82 1HG MET 10 HG2 MET 10 164.832 -4.772 3.128 83 2HG MET 10 HG1 MET 10 164.419 -5.236 1.477 84 1HE MET 10 HE1 MET 10 161.924 -3.814 3.559 85 2HE MET 10 HE2 MET 10 160.910 -4.654 2.386 86 3HE MET 10 HE3 MET 10 162.432 -3.927 1.873 87 H GLU 11 HN GLU 11 166.846 -9.107 0.412 88 HA GLU 11 HA GLU 11 168.037 -8.757 -1.496 89 1HB GLU 11 HB2 GLU 11 166.361 -8.530 -3.535 90 2HB GLU 11 HB1 GLU 11 166.572 -10.037 -2.663 91 1HG GLU 11 HG2 GLU 11 164.338 -10.019 -2.631 92 2HG GLU 11 HG1 GLU 11 164.552 -8.956 -1.247 93 H ILE 12 HN ILE 12 168.141 -7.399 -3.636 94 HA ILE 12 HA ILE 12 168.013 -4.593 -2.772 95 HB ILE 12 HB ILE 12 169.593 -5.498 -5.146 96 1HG1 ILE 12 HG12 ILE 12 171.520 -5.577 -3.335 97 2HG1 ILE 12 HG11 ILE 12 170.195 -6.013 -2.263 98 1HG2 ILE 12 HG21 ILE 12 170.129 -3.347 -5.132 99 2HG2 ILE 12 HG22 ILE 12 170.955 -3.602 -3.593 100 3HG2 ILE 12 HG23 ILE 12 169.266 -3.094 -3.615 101 1HD1 ILE 12 HD11 ILE 12 171.645 -7.788 -3.642 102 2HD1 ILE 12 HD12 ILE 12 170.342 -7.501 -4.796 103 3HD1 ILE 12 HD13 ILE 12 169.968 -8.058 -3.165 104 H THR 13 HN THR 13 166.341 -3.487 -3.557 105 HA THR 13 HA THR 13 165.070 -4.284 -6.044 106 HB THR 13 HB THR 13 163.246 -3.042 -5.378 107 HG1 THR 13 HG1 THR 13 165.135 -1.290 -4.276 108 1HG2 THR 13 HG21 THR 13 162.765 -3.374 -3.145 109 2HG2 THR 13 HG22 THR 13 164.435 -3.113 -2.642 110 3HG2 THR 13 HG23 THR 13 163.988 -4.601 -3.475 111 HA PRO 14 HA PRO 14 166.848 -1.446 -8.894 112 1HB PRO 14 HB2 PRO 14 164.608 0.061 -9.664 113 2HB PRO 14 HB1 PRO 14 165.177 -1.428 -10.422 114 1HG PRO 14 HG2 PRO 14 163.017 -1.029 -8.409 115 2HG PRO 14 HG1 PRO 14 163.102 -2.177 -9.757 116 1HD PRO 14 HD2 PRO 14 163.497 -2.975 -7.239 117 2HD PRO 14 HD1 PRO 14 164.451 -3.655 -8.573 118 H ALA 15 HN ALA 15 164.371 0.185 -6.909 119 HA ALA 15 HA ALA 15 165.414 2.762 -7.050 120 1HB ALA 15 HB1 ALA 15 163.363 2.862 -6.116 121 2HB ALA 15 HB2 ALA 15 164.284 2.805 -4.613 122 3HB ALA 15 HB3 ALA 15 163.558 1.333 -5.258 123 H ILE 16 HN ILE 16 165.948 0.313 -4.513 124 HA ILE 16 HA ILE 16 167.748 1.837 -2.995 125 HB ILE 16 HB ILE 16 167.673 -1.176 -3.190 126 1HG1 ILE 16 HG12 ILE 16 165.973 0.801 -1.702 127 2HG1 ILE 16 HG11 ILE 16 165.466 -0.585 -2.650 128 1HG2 ILE 16 HG21 ILE 16 168.905 -1.267 -1.262 129 2HG2 ILE 16 HG22 ILE 16 168.374 0.322 -0.714 130 3HG2 ILE 16 HG23 ILE 16 169.584 0.188 -1.989 131 1HD1 ILE 16 HD11 ILE 16 165.118 -0.908 -0.250 132 2HD1 ILE 16 HD12 ILE 16 166.851 -0.727 0.016 133 3HD1 ILE 16 HD13 ILE 16 166.240 -2.089 -0.924 134 H ARG 17 HN ARG 17 168.460 -0.817 -5.290 135 HA ARG 17 HA ARG 17 171.194 -0.750 -5.214 136 1HB ARG 17 HB2 ARG 17 171.171 -2.033 -7.111 137 2HB ARG 17 HB1 ARG 17 169.493 -2.197 -6.619 138 1HG ARG 17 HG2 ARG 17 169.071 -1.673 -8.754 139 2HG ARG 17 HG1 ARG 17 169.335 -0.016 -8.212 140 1HD ARG 17 HD2 ARG 17 171.875 -0.778 -8.722 141 2HD ARG 17 HD1 ARG 17 171.007 -1.752 -9.909 142 HE ARG 17 HE ARG 17 170.005 0.810 -10.133 143 1HH1 ARG 17 HH11 ARG 17 173.106 -0.750 -10.493 144 2HH1 ARG 17 HH12 ARG 17 173.673 0.373 -11.683 145 1HH2 ARG 17 HH21 ARG 17 170.749 2.287 -11.700 146 2HH2 ARG 17 HH22 ARG 17 172.336 2.096 -12.368 147 H GLN 18 HN GLN 18 169.056 1.567 -6.691 148 HA GLN 18 HA GLN 18 171.078 2.873 -8.249 149 1HB GLN 18 HB2 GLN 18 168.508 2.884 -8.590 150 2HB GLN 18 HB1 GLN 18 168.506 4.162 -7.383 151 1HG GLN 18 HG2 GLN 18 168.703 5.493 -9.173 152 2HG GLN 18 HG1 GLN 18 170.412 5.084 -9.040 153 1HE2 GLN 18 HE21 GLN 18 170.456 5.614 -11.322 154 2HE2 GLN 18 HE22 GLN 18 170.006 4.412 -12.477 155 H HIS 19 HN HIS 19 169.401 3.633 -5.205 156 HA HIS 19 HA HIS 19 170.598 6.055 -4.612 157 1HB HIS 19 HB2 HIS 19 168.850 4.396 -3.330 158 2HB HIS 19 HB1 HIS 19 170.268 4.257 -2.300 159 HD1 HIS 19 HD1 HIS 19 171.045 6.443 -1.066 160 HD2 HIS 19 HD2 HIS 19 167.511 6.810 -3.202 161 HE1 HIS 19 HE1 HIS 19 169.971 8.558 -0.233 162 HE2 HIS 19 HE2 HIS 19 167.797 8.719 -1.488 163 H VAL 20 HN VAL 20 171.838 2.796 -4.182 164 HA VAL 20 HA VAL 20 174.134 3.575 -2.668 165 HB VAL 20 HB VAL 20 173.982 1.043 -4.276 166 1HG1 VAL 20 HG11 VAL 20 174.981 0.411 -1.841 167 2HG1 VAL 20 HG12 VAL 20 175.531 2.079 -2.004 168 3HG1 VAL 20 HG13 VAL 20 175.965 0.884 -3.226 169 1HG2 VAL 20 HG21 VAL 20 171.987 0.651 -3.300 170 2HG2 VAL 20 HG22 VAL 20 172.242 1.868 -2.049 171 3HG2 VAL 20 HG23 VAL 20 172.976 0.273 -1.889 172 H ALA 21 HN ALA 21 173.563 2.750 -6.074 173 HA ALA 21 HA ALA 21 176.201 2.915 -6.970 174 1HB ALA 21 HB1 ALA 21 173.934 2.217 -8.155 175 2HB ALA 21 HB2 ALA 21 175.353 2.723 -9.073 176 3HB ALA 21 HB3 ALA 21 174.045 3.866 -8.771 177 H ASP 22 HN ASP 22 173.708 5.429 -6.748 178 HA ASP 22 HA ASP 22 175.177 7.514 -7.906 179 1HB ASP 22 HB2 ASP 22 172.914 7.985 -7.693 180 2HB ASP 22 HB1 ASP 22 172.832 7.368 -6.047 181 H ARG 23 HN ARG 23 174.631 6.859 -4.441 182 HA ARG 23 HA ARG 23 176.451 8.785 -3.506 183 1HB ARG 23 HB2 ARG 23 175.041 6.443 -2.341 184 2HB ARG 23 HB1 ARG 23 176.421 7.074 -1.452 185 1HG ARG 23 HG2 ARG 23 174.667 9.201 -2.307 186 2HG ARG 23 HG1 ARG 23 173.801 7.989 -1.360 187 1HD ARG 23 HD2 ARG 23 175.168 8.299 0.506 188 2HD ARG 23 HD1 ARG 23 176.440 9.069 -0.441 189 HE ARG 23 HE ARG 23 175.414 11.065 -0.067 190 1HH1 ARG 23 HH11 ARG 23 173.045 8.539 0.354 191 2HH1 ARG 23 HH12 ARG 23 171.793 9.624 0.854 192 1HH2 ARG 23 HH21 ARG 23 173.773 12.493 0.601 193 2HH2 ARG 23 HH22 ARG 23 172.206 11.869 0.998 194 H LEU 24 HN LEU 24 176.829 5.287 -4.009 195 HA LEU 24 HA LEU 24 179.394 4.953 -3.046 196 1HB LEU 24 HB2 LEU 24 177.890 3.140 -3.816 197 2HB LEU 24 HB1 LEU 24 178.209 3.609 -5.475 198 HG LEU 24 HG LEU 24 180.710 3.167 -4.160 199 1HD1 LEU 24 HD11 LEU 24 180.460 0.757 -3.688 200 2HD1 LEU 24 HD12 LEU 24 178.716 0.926 -3.879 201 3HD1 LEU 24 HD13 LEU 24 179.547 1.776 -2.576 202 1HD2 LEU 24 HD21 LEU 24 180.444 1.136 -5.925 203 2HD2 LEU 24 HD22 LEU 24 180.901 2.780 -6.369 204 3HD2 LEU 24 HD23 LEU 24 179.224 2.257 -6.530 205 H ALA 25 HN ALA 25 178.377 6.052 -6.257 206 HA ALA 25 HA ALA 25 181.004 6.190 -7.335 207 1HB ALA 25 HB1 ALA 25 178.957 7.985 -8.463 208 2HB ALA 25 HB2 ALA 25 178.540 6.272 -8.425 209 3HB ALA 25 HB3 ALA 25 180.000 6.805 -9.258 210 H LYS 26 HN LYS 26 178.919 8.464 -5.649 211 HA LYS 26 HA LYS 26 180.496 10.773 -6.125 212 1HB LYS 26 HB2 LYS 26 178.492 10.146 -3.953 213 2HB LYS 26 HB1 LYS 26 179.212 11.730 -4.200 214 1HG LYS 26 HG2 LYS 26 178.140 10.820 -6.678 215 2HG LYS 26 HG1 LYS 26 176.915 10.637 -5.421 216 1HD LYS 26 HD2 LYS 26 178.473 13.179 -5.593 217 2HD LYS 26 HD1 LYS 26 177.151 12.894 -6.727 218 1HE LYS 26 HE2 LYS 26 175.564 13.106 -5.133 219 2HE LYS 26 HE1 LYS 26 176.554 12.332 -3.897 220 1HZ LYS 26 HZ1 LYS 26 176.183 14.653 -3.379 221 2HZ LYS 26 HZ2 LYS 26 176.851 15.126 -4.860 222 3HZ LYS 26 HZ3 LYS 26 177.824 14.386 -3.693 223 H LEU 27 HN LEU 27 180.505 8.294 -3.633 224 HA LEU 27 HA LEU 27 182.267 9.602 -1.850 225 1HB LEU 27 HB2 LEU 27 180.746 7.472 -1.569 226 2HB LEU 27 HB1 LEU 27 182.201 6.627 -2.061 227 HG LEU 27 HG LEU 27 183.256 8.156 -0.135 228 1HD1 LEU 27 HD11 LEU 27 181.367 7.808 1.729 229 2HD1 LEU 27 HD12 LEU 27 180.341 8.146 0.334 230 3HD1 LEU 27 HD13 LEU 27 181.569 9.310 0.827 231 1HD2 LEU 27 HD21 LEU 27 183.205 6.248 1.275 232 2HD2 LEU 27 HD22 LEU 27 183.256 5.656 -0.385 233 3HD2 LEU 27 HD23 LEU 27 181.737 5.640 0.510 234 H GLU 28 HN GLU 28 182.814 8.252 -4.907 235 HA GLU 28 HA GLU 28 185.357 7.136 -4.649 236 1HB GLU 28 HB2 GLU 28 184.027 6.907 -6.678 237 2HB GLU 28 HB1 GLU 28 184.161 8.633 -6.986 238 1HG GLU 28 HG2 GLU 28 186.250 8.465 -7.811 239 2HG GLU 28 HG1 GLU 28 186.707 7.182 -6.692 240 H LYS 29 HN LYS 29 184.362 10.408 -4.373 241 HA LYS 29 HA LYS 29 187.044 11.431 -4.906 242 1HB LYS 29 HB2 LYS 29 184.436 12.826 -4.301 243 2HB LYS 29 HB1 LYS 29 185.964 13.664 -4.528 244 1HG LYS 29 HG2 LYS 29 185.142 13.840 -6.631 245 2HG LYS 29 HG1 LYS 29 185.963 12.286 -6.788 246 1HD LYS 29 HD2 LYS 29 183.604 11.401 -5.927 247 2HD LYS 29 HD1 LYS 29 183.062 12.905 -6.675 248 1HE LYS 29 HE2 LYS 29 183.961 12.269 -8.787 249 2HE LYS 29 HE1 LYS 29 184.797 10.886 -8.081 250 1HZ LYS 29 HZ1 LYS 29 181.845 11.199 -8.185 251 2HZ LYS 29 HZ2 LYS 29 182.695 9.843 -7.636 252 3HZ LYS 29 HZ3 LYS 29 182.754 10.272 -9.272 253 H TRP 30 HN TRP 30 186.549 9.726 -2.582 254 HA TRP 30 HA TRP 30 186.937 11.630 -0.377 255 1HB TRP 30 HB2 TRP 30 185.617 9.064 -0.592 256 2HB TRP 30 HB1 TRP 30 186.829 9.031 0.680 257 HD1 TRP 30 HD1 TRP 30 183.348 10.132 -0.005 258 HE1 TRP 30 HE1 TRP 30 182.427 11.456 2.000 259 HE3 TRP 30 HE3 TRP 30 187.709 10.854 2.565 260 HZ2 TRP 30 HZ2 TRP 30 183.417 12.652 4.357 261 HZ3 TRP 30 HZ3 TRP 30 187.635 12.099 4.687 262 HH2 TRP 30 HH2 TRP 30 185.533 12.979 5.562 263 H GLN 31 HN GLN 31 188.980 10.964 -2.382 264 HA GLN 31 HA GLN 31 191.218 10.576 -2.466 265 1HB GLN 31 HB2 GLN 31 191.292 11.985 -0.468 266 2HB GLN 31 HB1 GLN 31 190.989 10.581 0.547 267 1HG GLN 31 HG2 GLN 31 193.113 9.837 0.397 268 2HG GLN 31 HG1 GLN 31 193.315 10.409 -1.258 269 1HE2 GLN 31 HE21 GLN 31 193.743 12.655 -1.591 270 2HE2 GLN 31 HE22 GLN 31 194.518 13.585 -0.359 271 H THR 32 HN THR 32 189.057 8.317 -1.442 272 HA THR 32 HA THR 32 190.987 6.240 -0.810 273 HB THR 32 HB THR 32 189.000 6.168 0.502 274 HG1 THR 32 HG1 THR 32 188.340 4.116 0.095 275 1HG2 THR 32 HG21 THR 32 187.402 7.399 -0.694 276 2HG2 THR 32 HG22 THR 32 186.768 5.755 -0.599 277 3HG2 THR 32 HG23 THR 32 187.508 6.329 -2.092 278 H HIS 33 HN HIS 33 190.259 4.010 -1.944 279 HA HIS 33 HA HIS 33 189.950 4.487 -4.822 280 1HB HIS 33 HB2 HIS 33 191.806 2.994 -5.338 281 2HB HIS 33 HB1 HIS 33 192.360 4.334 -4.338 282 HD1 HIS 33 HD1 HIS 33 194.316 2.322 -4.078 283 HD2 HIS 33 HD2 HIS 33 190.748 1.935 -1.982 284 HE1 HIS 33 HE1 HIS 33 194.800 0.694 -2.222 285 HE2 HIS 33 HE2 HIS 33 192.652 0.545 -0.914 286 H LEU 34 HN LEU 34 188.691 2.987 -2.254 287 HA LEU 34 HA LEU 34 188.127 0.616 -1.985 288 1HB LEU 34 HB2 LEU 34 185.681 0.793 -2.925 289 2HB LEU 34 HB1 LEU 34 186.199 1.695 -1.517 290 HG LEU 34 HG LEU 34 184.795 2.989 -3.106 291 1HD1 LEU 34 HD11 LEU 34 185.819 4.905 -2.543 292 2HD1 LEU 34 HD12 LEU 34 187.378 4.393 -3.187 293 3HD1 LEU 34 HD13 LEU 34 186.849 3.826 -1.603 294 1HD2 LEU 34 HD21 LEU 34 187.195 2.825 -4.918 295 2HD2 LEU 34 HD22 LEU 34 185.729 3.761 -5.196 296 3HD2 LEU 34 HD23 LEU 34 185.662 1.997 -5.181 297 H ILE 35 HN ILE 35 188.692 -1.198 -2.941 298 HA ILE 35 HA ILE 35 188.638 -1.415 -5.839 299 HB ILE 35 HB ILE 35 189.340 -3.737 -4.103 300 1HG1 ILE 35 HG12 ILE 35 190.501 -1.978 -2.943 301 2HG1 ILE 35 HG11 ILE 35 191.679 -2.836 -3.931 302 1HG2 ILE 35 HG21 ILE 35 189.328 -3.717 -6.643 303 2HG2 ILE 35 HG22 ILE 35 190.792 -4.309 -5.859 304 3HG2 ILE 35 HG23 ILE 35 190.750 -2.681 -6.535 305 1HD1 ILE 35 HD11 ILE 35 190.722 -0.763 -5.539 306 2HD1 ILE 35 HD12 ILE 35 192.297 -0.879 -4.754 307 3HD1 ILE 35 HD13 ILE 35 190.964 -0.061 -3.940 308 H ASN 36 HN ASN 36 187.510 -3.583 -3.234 309 HA ASN 36 HA ASN 36 185.300 -4.392 -5.001 310 1HB ASN 36 HB2 ASN 36 186.954 -5.867 -3.006 311 2HB ASN 36 HB1 ASN 36 185.284 -6.374 -3.242 312 1HD2 ASN 36 HD21 ASN 36 186.920 -8.253 -3.839 313 2HD2 ASN 36 HD22 ASN 36 187.191 -8.418 -5.538 314 HA PRO 37 HA PRO 37 183.265 -2.152 -1.494 315 1HB PRO 37 HB2 PRO 37 181.537 -0.736 -2.984 316 2HB PRO 37 HB1 PRO 37 183.217 -0.222 -2.780 317 1HG PRO 37 HG2 PRO 37 181.964 -1.715 -5.060 318 2HG PRO 37 HG1 PRO 37 183.059 -0.321 -5.110 319 1HD PRO 37 HD2 PRO 37 183.921 -2.863 -5.482 320 2HD PRO 37 HD1 PRO 37 184.928 -1.616 -4.723 321 H HIS 38 HN HIS 38 182.039 -3.668 -0.515 322 HA HIS 38 HA HIS 38 179.866 -4.930 -2.033 323 1HB HIS 38 HB2 HIS 38 181.740 -5.938 -0.164 324 2HB HIS 38 HB1 HIS 38 180.159 -6.026 0.603 325 HD1 HIS 38 HD1 HIS 38 182.263 -8.135 -1.145 326 HD2 HIS 38 HD2 HIS 38 178.257 -7.147 -1.634 327 HE1 HIS 38 HE1 HIS 38 181.261 -10.028 -2.459 328 HE2 HIS 38 HE2 HIS 38 178.813 -9.461 -2.647 329 H ILE 39 HN ILE 39 177.745 -4.932 -1.272 330 HA ILE 39 HA ILE 39 177.161 -3.190 1.019 331 HB ILE 39 HB ILE 39 175.851 -3.003 -1.694 332 1HG1 ILE 39 HG12 ILE 39 176.583 -0.501 -1.131 333 2HG1 ILE 39 HG11 ILE 39 177.789 -1.339 -0.160 334 1HG2 ILE 39 HG21 ILE 39 174.154 -2.820 0.025 335 2HG2 ILE 39 HG22 ILE 39 174.449 -1.238 -0.699 336 3HG2 ILE 39 HG23 ILE 39 175.121 -1.622 0.885 337 1HD1 ILE 39 HD11 ILE 39 178.302 -0.676 -2.619 338 2HD1 ILE 39 HD12 ILE 39 177.390 -2.137 -3.000 339 3HD1 ILE 39 HD13 ILE 39 178.834 -2.236 -1.992 340 H ILE 40 HN ILE 40 176.011 -4.292 2.445 341 HA ILE 40 HA ILE 40 174.149 -6.361 1.469 342 HB ILE 40 HB ILE 40 175.671 -6.205 4.075 343 1HG1 ILE 40 HG12 ILE 40 176.002 -8.702 2.867 344 2HG1 ILE 40 HG11 ILE 40 176.077 -7.554 1.535 345 1HG2 ILE 40 HG21 ILE 40 174.512 -8.599 4.236 346 2HG2 ILE 40 HG22 ILE 40 173.257 -7.752 3.332 347 3HG2 ILE 40 HG23 ILE 40 173.776 -7.142 4.903 348 1HD1 ILE 40 HD11 ILE 40 177.698 -7.170 4.022 349 2HD1 ILE 40 HD12 ILE 40 177.941 -6.477 2.418 350 3HD1 ILE 40 HD13 ILE 40 178.253 -8.190 2.693 351 H LEU 41 HN LEU 41 172.223 -5.312 1.350 352 HA LEU 41 HA LEU 41 171.361 -3.763 3.698 353 1HB LEU 41 HB2 LEU 41 171.077 -2.285 1.990 354 2HB LEU 41 HB1 LEU 41 170.868 -3.541 0.789 355 HG LEU 41 HG LEU 41 168.619 -3.366 2.655 356 1HD1 LEU 41 HD11 LEU 41 169.200 -1.017 0.860 357 2HD1 LEU 41 HD12 LEU 41 169.234 -1.001 2.623 358 3HD1 LEU 41 HD13 LEU 41 167.716 -1.290 1.772 359 1HD2 LEU 41 HD21 LEU 41 167.621 -2.992 0.181 360 2HD2 LEU 41 HD22 LEU 41 168.009 -4.575 0.849 361 3HD2 LEU 41 HD23 LEU 41 169.156 -3.764 -0.215 362 H SER 42 HN SER 42 170.474 -5.225 5.046 363 HA SER 42 HA SER 42 168.378 -6.989 3.967 364 1HB SER 42 HB2 SER 42 170.103 -7.324 6.428 365 2HB SER 42 HB1 SER 42 168.804 -8.418 5.951 366 HG SER 42 HG SER 42 171.137 -8.831 5.276 367 H LYS 43 HN LYS 43 166.687 -7.566 5.681 368 HA LYS 43 HA LYS 43 165.727 -5.064 6.850 369 1HB LYS 43 HB2 LYS 43 164.313 -6.531 5.303 370 2HB LYS 43 HB1 LYS 43 164.195 -7.652 6.652 371 1HG LYS 43 HG2 LYS 43 163.516 -4.851 7.257 372 2HG LYS 43 HG1 LYS 43 162.420 -5.696 6.162 373 1HD LYS 43 HD2 LYS 43 161.703 -7.133 7.769 374 2HD LYS 43 HD1 LYS 43 163.263 -7.153 8.595 375 1HE LYS 43 HE2 LYS 43 162.638 -5.545 10.010 376 2HE LYS 43 HE1 LYS 43 162.001 -4.544 8.708 377 1HZ LYS 43 HZ1 LYS 43 160.046 -4.989 9.674 378 2HZ LYS 43 HZ2 LYS 43 160.620 -6.356 10.487 379 3HZ LYS 43 HZ3 LYS 43 160.148 -6.473 8.868 380 H GLU 44 HN GLU 44 166.209 -4.699 8.908 381 HA GLU 44 HA GLU 44 166.470 -6.994 10.728 382 1HB GLU 44 HB2 GLU 44 168.463 -5.980 11.065 383 2HB GLU 44 HB1 GLU 44 167.898 -4.435 10.450 384 1HG GLU 44 HG2 GLU 44 166.846 -3.949 12.583 385 2HG GLU 44 HG1 GLU 44 167.344 -5.523 13.204 386 HA PRO 45 HA PRO 45 162.863 -6.341 13.156 387 1HB PRO 45 HB2 PRO 45 164.516 -5.707 15.486 388 2HB PRO 45 HB1 PRO 45 163.435 -7.070 15.227 389 1HG PRO 45 HG2 PRO 45 166.310 -6.959 14.957 390 2HG PRO 45 HG1 PRO 45 165.245 -8.369 14.864 391 1HD PRO 45 HD2 PRO 45 166.641 -7.343 12.735 392 2HD PRO 45 HD1 PRO 45 165.143 -8.285 12.582 393 H GLN 46 HN GLN 46 165.516 -4.132 14.023 394 HA GLN 46 HA GLN 46 163.566 -1.982 14.381 395 1HB GLN 46 HB2 GLN 46 165.509 -2.754 16.025 396 2HB GLN 46 HB1 GLN 46 166.435 -1.615 15.055 397 1HG GLN 46 HG2 GLN 46 165.695 -0.067 16.470 398 2HG GLN 46 HG1 GLN 46 164.163 -0.196 15.608 399 1HE2 GLN 46 HE21 GLN 46 162.763 -2.065 16.431 400 2HE2 GLN 46 HE22 GLN 46 162.630 -2.204 18.146 401 H GLY 47 HN GLY 47 164.034 -2.630 11.708 402 1HA GLY 47 HA2 GLY 47 164.098 -0.856 10.024 403 2HA GLY 47 HA1 GLY 47 165.524 -0.231 10.834 404 H PHE 48 HN PHE 48 166.003 -0.391 8.369 405 HA PHE 48 HA PHE 48 166.775 -2.965 7.369 406 1HB PHE 48 HB2 PHE 48 167.136 -0.134 6.416 407 2HB PHE 48 HB1 PHE 48 167.958 -1.463 5.614 408 HD1 PHE 48 HD1 PHE 48 165.255 -3.199 6.403 409 HD2 PHE 48 HD2 PHE 48 166.203 0.273 4.132 410 HE1 PHE 48 HE1 PHE 48 163.268 -3.574 5.003 411 HE2 PHE 48 HE2 PHE 48 164.217 -0.096 2.731 412 HZ PHE 48 HZ PHE 48 162.746 -2.018 3.164 413 H VAL 49 HN VAL 49 168.922 -3.629 6.865 414 HA VAL 49 HA VAL 49 170.945 -2.512 8.692 415 HB VAL 49 HB VAL 49 170.823 -5.290 7.509 416 1HG1 VAL 49 HG11 VAL 49 172.563 -5.541 9.495 417 2HG1 VAL 49 HG12 VAL 49 172.844 -3.838 9.128 418 3HG1 VAL 49 HG13 VAL 49 173.061 -5.058 7.874 419 1HG2 VAL 49 HG21 VAL 49 169.160 -5.358 9.091 420 2HG2 VAL 49 HG22 VAL 49 169.937 -4.150 10.118 421 3HG2 VAL 49 HG23 VAL 49 170.566 -5.798 10.061 422 H ALA 50 HN ALA 50 171.678 -0.916 7.207 423 HA ALA 50 HA ALA 50 172.628 -1.734 4.599 424 1HB ALA 50 HB1 ALA 50 173.002 0.532 4.158 425 2HB ALA 50 HB2 ALA 50 173.134 0.937 5.870 426 3HB ALA 50 HB3 ALA 50 171.566 0.519 5.180 427 H ASP 51 HN ASP 51 174.141 -3.341 5.500 428 HA ASP 51 HA ASP 51 176.570 -2.189 6.663 429 1HB ASP 51 HB2 ASP 51 175.291 -4.849 6.704 430 2HB ASP 51 HB1 ASP 51 177.049 -4.863 6.594 431 H ALA 52 HN ALA 52 177.467 -1.214 4.840 432 HA ALA 52 HA ALA 52 178.147 -2.967 2.585 433 1HB ALA 52 HB1 ALA 52 178.882 -0.715 1.568 434 2HB ALA 52 HB2 ALA 52 177.977 0.006 2.900 435 3HB ALA 52 HB3 ALA 52 177.158 -1.042 1.741 436 H THR 53 HN THR 53 180.073 -3.914 2.656 437 HA THR 53 HA THR 53 182.222 -2.689 4.214 438 HB THR 53 HB THR 53 181.673 -5.068 4.618 439 HG1 THR 53 HG1 THR 53 183.804 -5.782 4.534 440 1HG2 THR 53 HG21 THR 53 181.491 -6.616 3.047 441 2HG2 THR 53 HG22 THR 53 183.004 -6.125 2.285 442 3HG2 THR 53 HG23 THR 53 181.502 -5.299 1.875 443 H ILE 54 HN ILE 54 183.343 -1.237 3.083 444 HA ILE 54 HA ILE 54 183.921 -1.768 0.260 445 HB ILE 54 HB ILE 54 184.722 0.818 1.452 446 1HG1 ILE 54 HG12 ILE 54 181.893 -0.159 1.346 447 2HG1 ILE 54 HG11 ILE 54 182.675 0.866 2.542 448 1HG2 ILE 54 HG21 ILE 54 184.392 1.617 -0.669 449 2HG2 ILE 54 HG22 ILE 54 183.089 0.481 -1.012 450 3HG2 ILE 54 HG23 ILE 54 184.763 -0.071 -1.023 451 1HD1 ILE 54 HD11 ILE 54 181.756 1.668 -0.207 452 2HD1 ILE 54 HD12 ILE 54 182.671 2.709 0.883 453 3HD1 ILE 54 HD13 ILE 54 181.059 2.153 1.338 454 H ASN 55 HN ASN 55 185.911 -2.174 -0.475 455 HA ASN 55 HA ASN 55 188.022 -2.657 1.411 456 1HB ASN 55 HB2 ASN 55 187.492 -4.014 -0.705 457 2HB ASN 55 HB1 ASN 55 188.303 -2.724 -1.587 458 1HD2 ASN 55 HD21 ASN 55 188.885 -4.584 1.383 459 2HD2 ASN 55 HD22 ASN 55 190.529 -4.969 1.020 460 H THR 56 HN THR 56 188.017 -0.337 2.098 461 HA THR 56 HA THR 56 189.167 1.616 0.332 462 HB THR 56 HB THR 56 188.953 3.135 2.118 463 HG1 THR 56 HG1 THR 56 190.058 2.110 3.732 464 1HG2 THR 56 HG21 THR 56 186.781 2.926 2.947 465 2HG2 THR 56 HG22 THR 56 186.840 1.164 2.901 466 3HG2 THR 56 HG23 THR 56 186.760 2.082 1.398 467 HA PRO 57 HA PRO 57 193.479 1.003 0.998 468 1HB PRO 57 HB2 PRO 57 194.418 3.515 1.550 469 2HB PRO 57 HB1 PRO 57 193.987 2.959 -0.071 470 1HG PRO 57 HG2 PRO 57 192.396 4.607 1.853 471 2HG PRO 57 HG1 PRO 57 192.582 4.798 0.099 472 1HD PRO 57 HD2 PRO 57 190.390 3.679 1.189 473 2HD PRO 57 HD1 PRO 57 191.043 3.139 -0.369 474 H ASN 58 HN ASN 58 191.997 3.102 3.450 475 HA ASN 58 HA ASN 58 193.980 2.604 5.431 476 1HB ASN 58 HB2 ASN 58 192.428 3.705 6.973 477 2HB ASN 58 HB1 ASN 58 192.560 4.613 5.469 478 1HD2 ASN 58 HD21 ASN 58 190.689 5.444 4.928 479 2HD2 ASN 58 HD22 ASN 58 189.147 4.675 5.070 480 H GLY 59 HN GLY 59 191.482 0.700 4.199 481 1HA GLY 59 HA2 GLY 59 191.734 -1.650 5.163 482 2HA GLY 59 HA1 GLY 59 191.304 -0.877 6.683 483 H VAL 60 HN VAL 60 189.952 -2.998 5.083 484 HA VAL 60 HA VAL 60 187.709 -2.192 3.727 485 HB VAL 60 HB VAL 60 187.593 -4.424 5.748 486 1HG1 VAL 60 HG11 VAL 60 185.860 -5.257 4.533 487 2HG1 VAL 60 HG12 VAL 60 186.459 -4.595 3.013 488 3HG1 VAL 60 HG13 VAL 60 185.646 -3.545 4.173 489 1HG2 VAL 60 HG21 VAL 60 189.240 -4.186 3.306 490 2HG2 VAL 60 HG22 VAL 60 188.362 -5.701 3.515 491 3HG2 VAL 60 HG23 VAL 60 189.493 -5.158 4.756 492 H LEU 61 HN LEU 61 186.736 -0.338 4.466 493 HA LEU 61 HA LEU 61 185.837 -0.134 7.207 494 1HB LEU 61 HB2 LEU 61 186.434 1.673 5.123 495 2HB LEU 61 HB1 LEU 61 184.737 1.892 5.496 496 HG LEU 61 HG LEU 61 185.219 2.446 7.773 497 1HD1 LEU 61 HD11 LEU 61 187.793 1.168 7.167 498 2HD1 LEU 61 HD12 LEU 61 186.898 1.263 8.684 499 3HD1 LEU 61 HD13 LEU 61 187.894 2.620 8.161 500 1HD2 LEU 61 HD21 LEU 61 186.425 3.874 5.565 501 2HD2 LEU 61 HD22 LEU 61 187.287 4.164 7.074 502 3HD2 LEU 61 HD23 LEU 61 185.558 4.492 6.969 503 H VAL 62 HN VAL 62 183.878 -0.607 7.958 504 HA VAL 62 HA VAL 62 181.889 -1.634 6.089 505 HB VAL 62 HB VAL 62 181.842 -1.681 9.108 506 1HG1 VAL 62 HG11 VAL 62 179.850 -2.671 8.977 507 2HG1 VAL 62 HG12 VAL 62 180.398 -3.770 7.711 508 3HG1 VAL 62 HG13 VAL 62 179.805 -2.163 7.289 509 1HG2 VAL 62 HG21 VAL 62 183.702 -2.971 8.597 510 2HG2 VAL 62 HG22 VAL 62 183.000 -3.568 7.093 511 3HG2 VAL 62 HG23 VAL 62 182.404 -4.163 8.643 512 H ALA 63 HN ALA 63 180.690 -0.025 5.226 513 HA ALA 63 HA ALA 63 179.906 2.296 6.729 514 1HB ALA 63 HB1 ALA 63 178.947 3.090 4.745 515 2HB ALA 63 HB2 ALA 63 178.739 1.465 4.091 516 3HB ALA 63 HB3 ALA 63 180.351 2.165 4.214 517 H SER 64 HN SER 64 178.877 1.036 8.475 518 HA SER 64 HA SER 64 176.415 -0.337 7.905 519 1HB SER 64 HB2 SER 64 177.310 0.567 10.637 520 2HB SER 64 HB1 SER 64 176.319 -0.828 10.211 521 HG SER 64 HG SER 64 178.967 -0.694 10.479 522 H GLY 65 HN GLY 65 174.431 0.479 7.836 523 1HA GLY 65 HA2 GLY 65 173.804 2.963 9.228 524 2HA GLY 65 HA1 GLY 65 173.655 2.993 7.476 525 H LYS 66 HN LYS 66 172.241 1.980 10.445 526 HA LYS 66 HA LYS 66 170.199 0.411 9.095 527 1HB LYS 66 HB2 LYS 66 169.421 -0.199 11.300 528 2HB LYS 66 HB1 LYS 66 171.163 -0.409 11.219 529 1HG LYS 66 HG2 LYS 66 171.551 1.143 12.791 530 2HG LYS 66 HG1 LYS 66 170.289 2.219 12.190 531 1HD LYS 66 HD2 LYS 66 168.785 1.446 13.658 532 2HD LYS 66 HD1 LYS 66 169.235 -0.234 13.361 533 1HE LYS 66 HE2 LYS 66 169.716 0.219 15.641 534 2HE LYS 66 HE1 LYS 66 171.260 0.159 14.792 535 1HZ LYS 66 HZ1 LYS 66 171.640 2.104 15.781 536 2HZ LYS 66 HZ2 LYS 66 170.014 2.351 16.172 537 3HZ LYS 66 HZ3 LYS 66 170.587 2.773 14.639 538 H HIS 67 HN HIS 67 167.980 0.867 9.196 539 HA HIS 67 HA HIS 67 166.828 3.094 10.439 540 1HB HIS 67 HB2 HIS 67 168.385 3.880 8.276 541 2HB HIS 67 HB1 HIS 67 166.746 3.865 7.633 542 HD1 HIS 67 HD1 HIS 67 165.240 4.897 10.135 543 HD2 HIS 67 HD2 HIS 67 168.739 6.545 8.636 544 HE1 HIS 67 HE1 HIS 67 165.276 7.265 10.974 545 HE2 HIS 67 HE2 HIS 67 167.349 8.276 9.961 546 H GLU 68 HN GLU 68 164.622 3.169 10.163 547 HA GLU 68 HA GLU 68 163.369 0.831 9.192 548 1HB GLU 68 HB2 GLU 68 162.236 3.511 10.003 549 2HB GLU 68 HB1 GLU 68 161.244 2.118 9.597 550 1HG GLU 68 HG2 GLU 68 163.294 1.564 11.602 551 2HG GLU 68 HG1 GLU 68 162.108 2.772 12.096 552 H ASP 69 HN ASP 69 163.960 3.985 7.807 553 HA ASP 69 HA ASP 69 162.342 3.353 5.464 554 1HB ASP 69 HB2 ASP 69 163.248 5.784 6.747 555 2HB ASP 69 HB1 ASP 69 163.655 5.795 5.033 556 H MET 70 HN MET 70 163.159 3.146 3.410 557 HA MET 70 HA MET 70 165.605 1.850 3.107 558 1HB MET 70 HB2 MET 70 164.025 1.380 1.467 559 2HB MET 70 HB1 MET 70 163.632 3.069 1.212 560 1HG MET 70 HG2 MET 70 166.179 3.079 0.369 561 2HG MET 70 HG1 MET 70 165.753 1.408 0.017 562 1HE MET 70 HE1 MET 70 162.191 2.540 -1.019 563 2HE MET 70 HE2 MET 70 163.165 1.165 -0.499 564 3HE MET 70 HE3 MET 70 162.889 1.452 -2.217 565 H TYR 71 HN TYR 71 164.784 5.052 1.749 566 HA TYR 71 HA TYR 71 167.354 5.743 0.996 567 1HB TYR 71 HB2 TYR 71 164.924 7.360 1.648 568 2HB TYR 71 HB1 TYR 71 166.444 8.164 1.280 569 HD1 TYR 71 HD1 TYR 71 164.963 9.147 -0.595 570 HD2 TYR 71 HD2 TYR 71 166.136 5.059 -0.434 571 HE1 TYR 71 HE1 TYR 71 164.502 8.922 -2.999 572 HE2 TYR 71 HE2 TYR 71 165.687 4.825 -2.832 573 HH TYR 71 HH TYR 71 165.312 7.386 -4.895 574 H THR 72 HN THR 72 165.691 6.646 4.029 575 HA THR 72 HA THR 72 167.731 8.132 5.163 576 HB THR 72 HB THR 72 166.744 7.534 7.348 577 HG1 THR 72 HG1 THR 72 165.486 5.568 5.787 578 1HG2 THR 72 HG21 THR 72 164.350 8.138 6.825 579 2HG2 THR 72 HG22 THR 72 164.844 8.193 5.133 580 3HG2 THR 72 HG23 THR 72 165.592 9.277 6.305 581 H ALA 73 HN ALA 73 167.433 4.683 4.795 582 HA ALA 73 HA ALA 73 169.491 3.978 6.644 583 1HB ALA 73 HB1 ALA 73 167.614 2.607 5.025 584 2HB ALA 73 HB2 ALA 73 168.658 1.949 6.286 585 3HB ALA 73 HB3 ALA 73 169.218 1.996 4.614 586 H ILE 74 HN ILE 74 169.337 4.691 3.212 587 HA ILE 74 HA ILE 74 171.993 3.914 2.577 588 HB ILE 74 HB ILE 74 170.889 6.161 1.008 589 1HG1 ILE 74 HG12 ILE 74 168.839 4.812 1.672 590 2HG1 ILE 74 HG11 ILE 74 169.117 4.993 -0.051 591 1HG2 ILE 74 HG21 ILE 74 171.464 4.538 -0.848 592 2HG2 ILE 74 HG22 ILE 74 172.124 3.492 0.409 593 3HG2 ILE 74 HG23 ILE 74 172.800 5.102 0.156 594 1HD1 ILE 74 HD11 ILE 74 170.418 2.626 0.721 595 2HD1 ILE 74 HD12 ILE 74 168.962 2.808 -0.260 596 3HD1 ILE 74 HD13 ILE 74 168.830 2.616 1.489 597 H ASN 75 HN ASN 75 170.528 7.096 3.218 598 HA ASN 75 HA ASN 75 172.879 8.605 3.113 599 1HB ASN 75 HB2 ASN 75 170.471 9.118 4.876 600 2HB ASN 75 HB1 ASN 75 171.661 10.308 4.357 601 1HD2 ASN 75 HD21 ASN 75 168.816 8.592 3.556 602 2HD2 ASN 75 HD22 ASN 75 168.544 9.311 2.009 603 H GLU 76 HN GLU 76 171.358 6.848 5.767 604 HA GLU 76 HA GLU 76 173.007 7.708 7.850 605 1HB GLU 76 HB2 GLU 76 170.907 6.382 8.101 606 2HB GLU 76 HB1 GLU 76 171.781 4.965 7.536 607 1HG GLU 76 HG2 GLU 76 172.218 4.558 9.672 608 2HG GLU 76 HG1 GLU 76 173.367 5.894 9.578 609 H LEU 77 HN LEU 77 173.479 5.244 5.396 610 HA LEU 77 HA LEU 77 175.779 4.077 6.594 611 1HB LEU 77 HB2 LEU 77 175.751 2.605 4.879 612 2HB LEU 77 HB1 LEU 77 174.116 3.215 4.720 613 HG LEU 77 HG LEU 77 175.336 4.924 3.064 614 1HD1 LEU 77 HD11 LEU 77 177.550 3.853 3.559 615 2HD1 LEU 77 HD12 LEU 77 177.119 3.934 1.851 616 3HD1 LEU 77 HD13 LEU 77 176.959 2.413 2.730 617 1HD2 LEU 77 HD21 LEU 77 173.622 2.793 2.822 618 2HD2 LEU 77 HD22 LEU 77 174.940 2.361 1.734 619 3HD2 LEU 77 HD23 LEU 77 174.090 3.891 1.524 620 H ILE 78 HN ILE 78 175.326 6.675 4.243 621 HA ILE 78 HA ILE 78 178.030 6.815 3.436 622 HB ILE 78 HB ILE 78 175.881 7.918 2.392 623 1HG1 ILE 78 HG12 ILE 78 177.996 7.872 1.258 624 2HG1 ILE 78 HG11 ILE 78 177.387 9.523 1.188 625 1HG2 ILE 78 HG21 ILE 78 177.008 10.266 3.905 626 2HG2 ILE 78 HG22 ILE 78 175.534 9.416 4.364 627 3HG2 ILE 78 HG23 ILE 78 175.621 10.250 2.815 628 1HD1 ILE 78 HD11 ILE 78 179.616 9.810 1.693 629 2HD1 ILE 78 HD12 ILE 78 179.661 8.416 2.770 630 3HD1 ILE 78 HD13 ILE 78 178.851 9.897 3.280 631 H ASN 79 HN ASN 79 176.243 8.573 5.961 632 HA ASN 79 HA ASN 79 178.439 10.225 6.674 633 1HB ASN 79 HB2 ASN 79 177.135 10.817 8.650 634 2HB ASN 79 HB1 ASN 79 176.116 10.826 7.215 635 1HD2 ASN 79 HD21 ASN 79 177.071 8.845 9.974 636 2HD2 ASN 79 HD22 ASN 79 175.567 8.010 10.120 637 H LYS 80 HN LYS 80 177.241 7.122 7.888 638 HA LYS 80 HA LYS 80 178.890 6.912 10.137 639 1HB LYS 80 HB2 LYS 80 176.941 5.384 9.229 640 2HB LYS 80 HB1 LYS 80 178.269 4.483 8.510 641 1HG LYS 80 HG2 LYS 80 177.600 3.564 10.673 642 2HG LYS 80 HG1 LYS 80 179.264 4.151 10.696 643 1HD LYS 80 HD2 LYS 80 178.794 5.820 12.155 644 2HD LYS 80 HD1 LYS 80 177.180 6.088 11.494 645 1HE LYS 80 HE2 LYS 80 177.270 3.502 12.698 646 2HE LYS 80 HE1 LYS 80 177.909 4.684 13.840 647 1HZ LYS 80 HZ1 LYS 80 175.923 5.730 14.013 648 2HZ LYS 80 HZ2 LYS 80 175.340 4.189 13.627 649 3HZ LYS 80 HZ3 LYS 80 175.448 5.378 12.427 650 H LEU 81 HN LEU 81 179.417 5.533 6.887 651 HA LEU 81 HA LEU 81 181.988 4.549 7.329 652 1HB LEU 81 HB2 LEU 81 180.292 4.436 5.266 653 2HB LEU 81 HB1 LEU 81 181.352 5.693 4.661 654 HG LEU 81 HG LEU 81 182.015 2.828 5.270 655 1HD1 LEU 81 HD11 LEU 81 182.573 4.535 2.855 656 2HD1 LEU 81 HD12 LEU 81 181.160 3.494 3.030 657 3HD1 LEU 81 HD13 LEU 81 182.776 2.790 3.007 658 1HD2 LEU 81 HD21 LEU 81 183.863 3.784 6.265 659 2HD2 LEU 81 HD22 LEU 81 183.841 5.191 5.202 660 3HD2 LEU 81 HD23 LEU 81 184.397 3.633 4.591 661 H GLU 82 HN GLU 82 180.943 7.715 6.113 662 HA GLU 82 HA GLU 82 183.328 8.873 5.444 663 1HB GLU 82 HB2 GLU 82 181.629 10.324 5.017 664 2HB GLU 82 HB1 GLU 82 180.735 9.869 6.458 665 1HG GLU 82 HG2 GLU 82 181.956 11.343 7.815 666 2HG GLU 82 HG1 GLU 82 183.213 11.554 6.596 667 H ARG 83 HN ARG 83 181.836 9.311 8.660 668 HA ARG 83 HA ARG 83 183.949 10.484 9.954 669 1HB ARG 83 HB2 ARG 83 181.501 9.245 10.698 670 2HB ARG 83 HB1 ARG 83 182.752 8.646 11.779 671 1HG ARG 83 HG2 ARG 83 181.947 10.519 12.874 672 2HG ARG 83 HG1 ARG 83 183.393 11.123 12.061 673 1HD ARG 83 HD2 ARG 83 182.091 12.125 10.332 674 2HD ARG 83 HD1 ARG 83 180.623 11.334 10.900 675 HE ARG 83 HE ARG 83 181.810 13.738 11.934 676 1HH1 ARG 83 HH11 ARG 83 179.718 11.040 12.657 677 2HH1 ARG 83 HH12 ARG 83 178.870 11.874 13.914 678 1HH2 ARG 83 HH21 ARG 83 180.696 14.836 13.590 679 2HH2 ARG 83 HH22 ARG 83 179.425 14.029 14.445 680 H GLN 84 HN GLN 84 183.394 7.034 9.423 681 HA GLN 84 HA GLN 84 185.579 6.119 10.969 682 1HB GLN 84 HB2 GLN 84 183.858 4.930 8.829 683 2HB GLN 84 HB1 GLN 84 185.315 4.080 9.329 684 1HG GLN 84 HG2 GLN 84 184.529 3.828 11.538 685 2HG GLN 84 HG1 GLN 84 183.217 4.977 11.278 686 1HE2 GLN 84 HE21 GLN 84 181.597 4.346 9.639 687 2HE2 GLN 84 HE22 GLN 84 181.157 2.679 9.531 688 H LEU 85 HN LEU 85 185.301 7.329 7.713 689 HA LEU 85 HA LEU 85 187.775 6.329 6.742 690 1HB LEU 85 HB2 LEU 85 185.641 8.034 5.796 691 2HB LEU 85 HB1 LEU 85 187.205 8.691 5.350 692 HG LEU 85 HG LEU 85 186.906 5.813 4.823 693 1HD1 LEU 85 HD11 LEU 85 184.618 6.829 4.341 694 2HD1 LEU 85 HD12 LEU 85 185.403 5.945 3.031 695 3HD1 LEU 85 HD13 LEU 85 185.416 7.709 3.037 696 1HD2 LEU 85 HD21 LEU 85 188.165 8.209 3.642 697 2HD2 LEU 85 HD22 LEU 85 187.670 6.946 2.516 698 3HD2 LEU 85 HD23 LEU 85 188.789 6.570 3.827 699 H ASN 86 HN ASN 86 186.892 9.702 7.509 700 HA ASN 86 HA ASN 86 189.381 10.826 7.461 701 1HB ASN 86 HB2 ASN 86 188.375 12.276 9.474 702 2HB ASN 86 HB1 ASN 86 187.842 12.467 7.808 703 1HD2 ASN 86 HD21 ASN 86 185.838 11.715 7.200 704 2HD2 ASN 86 HD22 ASN 86 184.629 11.271 8.344 705 H LYS 87 HN LYS 87 187.896 9.086 10.151 706 HA LYS 87 HA LYS 87 189.934 9.570 12.036 707 1HB LYS 87 HB2 LYS 87 188.132 8.767 13.153 708 2HB LYS 87 HB1 LYS 87 187.598 7.790 11.796 709 1HG LYS 87 HG2 LYS 87 188.165 6.433 13.750 710 2HG LYS 87 HG1 LYS 87 189.200 6.064 12.369 711 1HD LYS 87 HD2 LYS 87 190.676 7.972 13.570 712 2HD LYS 87 HD1 LYS 87 189.871 7.274 14.977 713 1HE LYS 87 HE2 LYS 87 191.670 5.925 12.985 714 2HE LYS 87 HE1 LYS 87 191.875 6.062 14.730 715 1HZ LYS 87 HZ1 LYS 87 189.933 4.621 15.008 716 2HZ LYS 87 HZ2 LYS 87 191.162 3.850 14.141 717 3HZ LYS 87 HZ3 LYS 87 189.806 4.452 13.330 718 H LEU 88 HN LEU 88 189.347 6.787 9.895 719 HA LEU 88 HA LEU 88 191.537 5.247 10.647 720 1HB LEU 88 HB2 LEU 88 189.556 5.195 8.621 721 2HB LEU 88 HB1 LEU 88 191.106 4.963 7.834 722 HG LEU 88 HG LEU 88 190.219 2.808 8.341 723 1HD1 LEU 88 HD11 LEU 88 192.332 2.266 8.770 724 2HD1 LEU 88 HD12 LEU 88 191.937 2.401 10.482 725 3HD1 LEU 88 HD13 LEU 88 192.623 3.779 9.624 726 1HD2 LEU 88 HD21 LEU 88 188.778 3.868 10.260 727 2HD2 LEU 88 HD22 LEU 88 190.124 3.341 11.271 728 3HD2 LEU 88 HD23 LEU 88 189.231 2.165 10.307 729 H GLN 89 HN GLN 89 191.441 8.163 8.820 730 HA GLN 89 HA GLN 89 193.948 7.772 7.475 731 1HB GLN 89 HB2 GLN 89 192.043 10.062 7.794 732 2HB GLN 89 HB1 GLN 89 193.662 10.358 7.175 733 1HG GLN 89 HG2 GLN 89 192.144 8.164 5.913 734 2HG GLN 89 HG1 GLN 89 191.574 9.804 5.612 735 1HE2 GLN 89 HE21 GLN 89 192.445 8.354 3.522 736 2HE2 GLN 89 HE22 GLN 89 193.969 8.944 2.962 737 H HIS 90 HN HIS 90 192.964 10.184 9.919 738 HA HIS 90 HA HIS 90 195.615 10.863 10.614 739 1HB HIS 90 HB2 HIS 90 192.928 11.361 11.845 740 2HB HIS 90 HB1 HIS 90 194.386 11.778 12.738 741 HD1 HIS 90 HD1 HIS 90 196.102 12.954 10.502 742 HD2 HIS 90 HD2 HIS 90 192.060 13.790 10.991 743 HE1 HIS 90 HE1 HIS 90 195.728 15.160 9.353 744 HE2 HIS 90 HE2 HIS 90 193.292 15.684 9.732 745 H LYS 91 HN LYS 91 196.618 8.800 10.949 746 HA LYS 91 HA LYS 91 196.924 8.092 13.630 747 1HB LYS 91 HB2 LYS 91 194.563 7.094 12.850 748 2HB LYS 91 HB1 LYS 91 195.602 5.789 12.298 749 1HG LYS 91 HG2 LYS 91 195.539 4.965 14.350 750 2HG LYS 91 HG1 LYS 91 196.477 6.361 14.882 751 1HD LYS 91 HD2 LYS 91 193.647 6.968 14.587 752 2HD LYS 91 HD1 LYS 91 193.940 5.663 15.738 753 1HE LYS 91 HE2 LYS 91 195.869 7.452 16.440 754 2HE LYS 91 HE1 LYS 91 194.571 8.525 15.917 755 1HZ LYS 91 HZ1 LYS 91 193.529 6.462 17.548 756 2HZ LYS 91 HZ2 LYS 91 193.485 8.134 17.792 757 3HZ LYS 91 HZ3 LYS 91 194.802 7.233 18.351 758 H GLY 92 HN GLY 92 196.932 6.733 10.347 759 1HA GLY 92 HA2 GLY 92 199.004 4.890 10.683 760 2HA GLY 92 HA1 GLY 92 198.576 5.656 9.160 761 H GLU 93 HN GLU 93 199.784 7.346 8.393 762 HA GLU 93 HA GLU 93 201.567 8.732 8.134 763 1HB GLU 93 HB2 GLU 93 201.963 8.545 11.122 764 2HB GLU 93 HB1 GLU 93 202.534 9.814 10.047 765 1HG GLU 93 HG2 GLU 93 199.625 9.220 10.520 766 2HG GLU 93 HG1 GLU 93 200.548 10.402 11.447 767 H ALA 94 HN ALA 94 203.581 8.339 7.454 768 HA ALA 94 HA ALA 94 205.627 7.368 7.193 769 1HB ALA 94 HB1 ALA 94 205.901 5.627 9.402 770 2HB ALA 94 HB2 ALA 94 205.127 7.099 9.987 771 3HB ALA 94 HB3 ALA 94 206.671 7.192 9.141 772 H ARG 95 HN ARG 95 203.909 4.824 8.985 773 HA ARG 95 HA ARG 95 203.796 2.570 8.528 774 1HB ARG 95 HB2 ARG 95 202.103 2.111 6.894 775 2HB ARG 95 HB1 ARG 95 201.698 3.614 7.709 776 1HG ARG 95 HG2 ARG 95 201.441 4.528 5.712 777 2HG ARG 95 HG1 ARG 95 203.182 4.389 5.484 778 1HD ARG 95 HD2 ARG 95 202.872 2.153 4.528 779 2HD ARG 95 HD1 ARG 95 201.130 2.308 4.748 780 HE ARG 95 HE ARG 95 202.655 4.132 3.005 781 1HH1 ARG 95 HH11 ARG 95 199.949 1.975 3.538 782 2HH1 ARG 95 HH12 ARG 95 199.214 2.332 2.014 783 1HH2 ARG 95 HH21 ARG 95 201.680 4.588 1.005 784 2HH2 ARG 95 HH22 ARG 95 200.193 3.809 0.578 785 H ARG 96 HN ARG 96 205.753 1.668 8.160 786 HA ARG 96 HA ARG 96 207.456 2.024 6.023 787 1HB ARG 96 HB2 ARG 96 208.327 -0.263 6.569 788 2HB ARG 96 HB1 ARG 96 208.208 0.822 7.947 789 1HG ARG 96 HG2 ARG 96 205.863 -0.324 8.239 790 2HG ARG 96 HG1 ARG 96 206.624 -1.611 7.303 791 1HD ARG 96 HD2 ARG 96 208.324 -0.597 9.438 792 2HD ARG 96 HD1 ARG 96 206.804 -1.265 10.030 793 HE ARG 96 HE ARG 96 207.645 -3.173 8.338 794 1HH1 ARG 96 HH11 ARG 96 209.253 -1.479 10.934 795 2HH1 ARG 96 HH12 ARG 96 210.298 -2.804 11.319 796 1HH2 ARG 96 HH21 ARG 96 209.020 -4.916 8.845 797 2HH2 ARG 96 HH22 ARG 96 210.166 -4.755 10.133 798 H ALA 97 HN ALA 97 207.808 1.001 4.062 799 HA ALA 97 HA ALA 97 205.429 -0.262 2.910 800 1HB ALA 97 HB1 ALA 97 207.722 0.467 1.187 801 2HB ALA 97 HB2 ALA 97 206.838 1.790 1.948 802 3HB ALA 97 HB3 ALA 97 205.989 0.645 0.909 803 H ALA 98 HN ALA 98 205.375 -2.378 2.574 804 HA ALA 98 HA ALA 98 207.923 -3.857 2.518 805 1HB ALA 98 HB1 ALA 98 205.363 -5.265 3.045 806 2HB ALA 98 HB2 ALA 98 206.015 -4.229 4.317 807 3HB ALA 98 HB3 ALA 98 206.976 -5.568 3.689 808 H THR 99 HN THR 99 208.382 -5.198 0.846 809 HA THR 99 HA THR 99 207.037 -4.836 -1.610 810 HB THR 99 HB THR 99 208.720 -7.250 -1.318 811 HG1 THR 99 HG1 THR 99 209.819 -4.663 -0.950 812 1HG2 THR 99 HG21 THR 99 208.596 -6.785 -3.516 813 2HG2 THR 99 HG22 THR 99 209.969 -5.746 -3.129 814 3HG2 THR 99 HG23 THR 99 208.350 -5.058 -3.253 815 H SER 100 HN SER 100 205.097 -5.613 -2.088 816 HA SER 100 HA SER 100 204.190 -8.106 -0.864 817 1HB SER 100 HB2 SER 100 201.966 -7.448 -1.836 818 2HB SER 100 HB1 SER 100 202.629 -6.285 -0.688 819 HG SER 100 HG SER 100 202.908 -4.872 -2.253 820 H VAL 101 HN VAL 101 206.190 -8.048 -3.042 821 HA VAL 101 HA VAL 101 204.723 -9.223 -5.281 822 HB VAL 101 HB VAL 101 207.704 -8.795 -5.110 823 1HG1 VAL 101 HG11 VAL 101 206.597 -10.303 -6.869 824 2HG1 VAL 101 HG12 VAL 101 207.732 -9.074 -7.425 825 3HG1 VAL 101 HG13 VAL 101 205.995 -8.803 -7.573 826 1HG2 VAL 101 HG21 VAL 101 207.105 -6.728 -6.555 827 2HG2 VAL 101 HG22 VAL 101 206.956 -6.621 -4.800 828 3HG2 VAL 101 HG23 VAL 101 205.519 -6.866 -5.795 829 H LYS 102 HN LYS 102 206.996 -10.059 -2.745 830 HA LYS 102 HA LYS 102 207.519 -12.700 -3.719 831 1HB LYS 102 HB2 LYS 102 209.185 -11.658 -2.346 832 2HB LYS 102 HB1 LYS 102 208.024 -11.363 -1.061 833 1HG LYS 102 HG2 LYS 102 209.591 -13.221 -0.595 834 2HG LYS 102 HG1 LYS 102 207.893 -13.696 -0.551 835 1HD LYS 102 HD2 LYS 102 208.183 -14.449 -2.953 836 2HD LYS 102 HD1 LYS 102 209.919 -14.234 -2.714 837 1HE LYS 102 HE2 LYS 102 208.158 -15.998 -1.015 838 2HE LYS 102 HE1 LYS 102 209.139 -16.568 -2.366 839 1HZ LYS 102 HZ1 LYS 102 210.603 -16.922 -0.700 840 2HZ LYS 102 HZ2 LYS 102 209.960 -15.718 0.297 841 3HZ LYS 102 HZ3 LYS 102 210.988 -15.299 -0.978 842 H ASP 103 HN ASP 103 206.051 -11.772 -0.613 843 HA ASP 103 HA ASP 103 204.535 -12.865 0.702 844 1HB ASP 103 HB2 ASP 103 202.346 -13.059 -0.282 845 2HB ASP 103 HB1 ASP 103 203.131 -11.638 -0.961 846 H ALA 104 HN ALA 104 202.732 -14.894 0.290 847 HA ALA 104 HA ALA 104 204.286 -17.185 0.655 848 1HB ALA 104 HB1 ALA 104 201.751 -16.614 1.188 849 2HB ALA 104 HB2 ALA 104 202.328 -18.274 1.046 850 3HB ALA 104 HB3 ALA 104 201.501 -17.510 -0.310 851 H ASN 105 HN ASN 105 205.729 -17.465 -1.024 852 HA ASN 105 HA ASN 105 204.651 -17.979 -3.699 853 1HB ASN 105 HB2 ASN 105 207.006 -16.712 -2.756 854 2HB ASN 105 HB1 ASN 105 207.512 -18.176 -3.596 855 1HD2 ASN 105 HD21 ASN 105 205.460 -18.306 -5.494 856 2HD2 ASN 105 HD22 ASN 105 205.658 -16.993 -6.598 857 H PHE 106 HN PHE 106 203.760 -20.021 -3.209 858 HA PHE 106 HA PHE 106 205.592 -22.128 -2.381 859 1HB PHE 106 HB2 PHE 106 203.314 -23.479 -2.660 860 2HB PHE 106 HB1 PHE 106 203.684 -22.545 -1.219 861 HD1 PHE 106 HD1 PHE 106 202.849 -20.056 -1.246 862 HD2 PHE 106 HD2 PHE 106 201.314 -23.157 -3.735 863 HE1 PHE 106 HE1 PHE 106 200.761 -18.785 -1.548 864 HE2 PHE 106 HE2 PHE 106 199.232 -21.884 -4.044 865 HZ PHE 106 HZ PHE 106 198.954 -19.696 -2.950 866 H VAL 107 HN VAL 107 206.041 -20.993 -4.946 867 HA VAL 107 HA VAL 107 205.183 -23.129 -6.771 868 HB VAL 107 HB VAL 107 204.663 -20.866 -7.536 869 1HG1 VAL 107 HG11 VAL 107 207.369 -20.022 -8.150 870 2HG1 VAL 107 HG12 VAL 107 207.096 -20.174 -6.414 871 3HG1 VAL 107 HG13 VAL 107 206.053 -19.133 -7.384 872 1HG2 VAL 107 HG21 VAL 107 206.465 -21.097 -9.612 873 2HG2 VAL 107 HG22 VAL 107 204.895 -21.893 -9.502 874 3HG2 VAL 107 HG23 VAL 107 206.352 -22.740 -8.983 875 H GLU 108 HN GLU 108 206.657 -24.730 -6.250 876 HA GLU 108 HA GLU 108 209.501 -24.077 -6.561 877 1HB GLU 108 HB2 GLU 108 209.970 -26.101 -5.317 878 2HB GLU 108 HB1 GLU 108 208.810 -25.129 -4.426 879 1HG GLU 108 HG2 GLU 108 207.803 -27.259 -6.243 880 2HG GLU 108 HG1 GLU 108 208.492 -27.711 -4.685 881 H GLU 109 HN GLU 109 210.488 -26.587 -7.092 882 HA GLU 109 HA GLU 109 209.673 -26.927 -9.871 883 1HB GLU 109 HB2 GLU 109 212.136 -26.728 -8.782 884 2HB GLU 109 HB1 GLU 109 211.953 -28.475 -8.782 885 1HG GLU 109 HG2 GLU 109 213.044 -27.888 -10.794 886 2HG GLU 109 HG1 GLU 109 211.391 -28.327 -11.216 887 H VAL 110 HN VAL 110 210.850 -29.671 -9.914 888 HA VAL 110 HA VAL 110 210.345 -31.854 -9.405 889 HB VAL 110 HB VAL 110 209.295 -30.733 -7.179 890 1HG1 VAL 110 HG11 VAL 110 207.093 -30.513 -8.552 891 2HG1 VAL 110 HG12 VAL 110 207.032 -31.078 -6.883 892 3HG1 VAL 110 HG13 VAL 110 206.927 -32.235 -8.209 893 1HG2 VAL 110 HG21 VAL 110 209.176 -33.555 -8.191 894 2HG2 VAL 110 HG22 VAL 110 208.660 -33.129 -6.559 895 3HG2 VAL 110 HG23 VAL 110 210.323 -32.830 -7.064 896 H GLU 111 HN GLU 111 209.070 -29.859 -11.402 897 HA GLU 111 HA GLU 111 206.564 -31.071 -12.089 898 1HB GLU 111 HB2 GLU 111 208.268 -28.892 -13.149 899 2HB GLU 111 HB1 GLU 111 207.228 -29.696 -14.316 900 1HG GLU 111 HG2 GLU 111 205.874 -27.996 -13.614 901 2HG GLU 111 HG1 GLU 111 205.380 -29.290 -12.523 902 H GLU 112 HN GLU 112 207.853 -33.244 -11.974 903 HA GLU 112 HA GLU 112 208.613 -33.933 -14.733 904 1HB GLU 112 HB2 GLU 112 210.105 -34.292 -12.258 905 2HB GLU 112 HB1 GLU 112 209.875 -35.811 -13.113 906 1HG GLU 112 HG2 GLU 112 210.730 -33.549 -14.781 907 2HG GLU 112 HG1 GLU 112 211.897 -34.088 -13.575 908 H GLU 113 HN GLU 113 206.047 -34.101 -13.205 909 HA GLU 113 HA GLU 113 205.625 -36.932 -12.807 910 1HB GLU 113 HB2 GLU 113 203.236 -36.200 -12.418 911 2HB GLU 113 HB1 GLU 113 204.428 -35.521 -11.319 912 1HG GLU 113 HG2 GLU 113 204.353 -33.418 -12.378 913 2HG GLU 113 HG1 GLU 113 203.475 -34.064 -13.764 Start of MODEL 29 1 1H MET 1 HT1 MET 1 187.290 -0.522 -6.299 2 2H MET 1 HT2 MET 1 186.531 -2.062 -6.288 3 3H MET 1 HT3 MET 1 185.579 -0.633 -6.301 4 HA MET 1 HA MET 1 186.455 -0.068 -8.451 5 1HB MET 1 HB2 MET 1 188.604 -1.224 -8.185 6 2HB MET 1 HB1 MET 1 187.780 -2.777 -8.199 7 1HG MET 1 HG2 MET 1 187.083 -2.427 -10.486 8 2HG MET 1 HG1 MET 1 187.801 -0.818 -10.482 9 1HE MET 1 HE1 MET 1 190.210 -2.024 -12.833 10 2HE MET 1 HE2 MET 1 188.485 -1.712 -12.648 11 3HE MET 1 HE3 MET 1 189.069 -3.367 -12.821 12 H THR 2 HN THR 2 185.636 -3.397 -7.471 13 HA THR 2 HA THR 2 183.769 -3.676 -9.656 14 HB THR 2 HB THR 2 183.643 -5.908 -9.106 15 HG1 THR 2 HG1 THR 2 183.832 -5.036 -6.446 16 1HG2 THR 2 HG21 THR 2 185.739 -6.651 -8.942 17 2HG2 THR 2 HG22 THR 2 186.041 -5.780 -7.438 18 3HG2 THR 2 HG23 THR 2 186.166 -4.941 -8.984 19 H MET 3 HN MET 3 181.740 -5.167 -8.281 20 HA MET 3 HA MET 3 180.561 -3.371 -6.340 21 1HB MET 3 HB2 MET 3 179.966 -2.385 -8.554 22 2HB MET 3 HB1 MET 3 179.145 -3.886 -8.960 23 1HG MET 3 HG2 MET 3 177.353 -2.765 -8.199 24 2HG MET 3 HG1 MET 3 177.932 -3.350 -6.642 25 1HE MET 3 HE1 MET 3 176.973 -1.250 -4.959 26 2HE MET 3 HE2 MET 3 176.017 -1.383 -6.435 27 3HE MET 3 HE3 MET 3 176.555 0.199 -5.874 28 H ASN 4 HN ASN 4 180.547 -5.109 -4.932 29 HA ASN 4 HA ASN 4 178.953 -7.448 -5.718 30 1HB ASN 4 HB2 ASN 4 180.991 -7.011 -3.542 31 2HB ASN 4 HB1 ASN 4 179.922 -8.410 -3.547 32 1HD2 ASN 4 HD21 ASN 4 182.499 -6.768 -5.239 33 2HD2 ASN 4 HD22 ASN 4 183.022 -8.130 -6.164 34 H ILE 5 HN ILE 5 176.925 -7.581 -5.054 35 HA ILE 5 HA ILE 5 176.175 -6.304 -2.509 36 HB ILE 5 HB ILE 5 174.458 -6.338 -4.994 37 1HG1 ILE 5 HG12 ILE 5 176.284 -4.277 -3.813 38 2HG1 ILE 5 HG11 ILE 5 176.038 -4.712 -5.499 39 1HG2 ILE 5 HG21 ILE 5 172.935 -4.939 -3.720 40 2HG2 ILE 5 HG22 ILE 5 174.017 -4.997 -2.328 41 3HG2 ILE 5 HG23 ILE 5 173.212 -6.466 -2.879 42 1HD1 ILE 5 HD11 ILE 5 175.184 -2.490 -5.022 43 2HD1 ILE 5 HD12 ILE 5 174.119 -3.152 -3.783 44 3HD1 ILE 5 HD13 ILE 5 173.876 -3.581 -5.477 45 H THR 6 HN THR 6 175.507 -7.808 -1.132 46 HA THR 6 HA THR 6 173.920 -10.062 -2.168 47 HB THR 6 HB THR 6 175.006 -11.542 -0.539 48 HG1 THR 6 HG1 THR 6 175.891 -10.524 1.068 49 1HG2 THR 6 HG21 THR 6 176.003 -11.222 -2.835 50 2HG2 THR 6 HG22 THR 6 177.076 -11.865 -1.592 51 3HG2 THR 6 HG23 THR 6 177.191 -10.170 -2.065 52 H SER 7 HN SER 7 171.976 -9.141 -1.539 53 HA SER 7 HA SER 7 171.618 -8.390 1.258 54 1HB SER 7 HB2 SER 7 169.908 -8.114 -1.203 55 2HB SER 7 HB1 SER 7 169.249 -7.853 0.415 56 HG SER 7 HG SER 7 169.950 -5.884 -0.193 57 H LYS 8 HN LYS 8 169.770 -9.207 2.463 58 HA LYS 8 HA LYS 8 169.602 -12.062 2.278 59 1HB LYS 8 HB2 LYS 8 169.296 -10.155 4.293 60 2HB LYS 8 HB1 LYS 8 167.693 -10.839 4.104 61 1HG LYS 8 HG2 LYS 8 169.916 -12.770 4.215 62 2HG LYS 8 HG1 LYS 8 169.583 -11.874 5.699 63 1HD LYS 8 HD2 LYS 8 167.092 -12.549 5.120 64 2HD LYS 8 HD1 LYS 8 167.902 -13.855 4.251 65 1HE LYS 8 HE2 LYS 8 169.249 -14.018 6.533 66 2HE LYS 8 HE1 LYS 8 167.768 -13.302 7.165 67 1HZ LYS 8 HZ1 LYS 8 168.162 -15.922 5.889 68 2HZ LYS 8 HZ2 LYS 8 166.645 -15.179 5.810 69 3HZ LYS 8 HZ3 LYS 8 167.332 -15.539 7.313 70 H GLN 9 HN GLN 9 166.690 -11.907 3.269 71 HA GLN 9 HA GLN 9 165.422 -12.708 0.951 72 1HB GLN 9 HB2 GLN 9 163.333 -12.490 2.166 73 2HB GLN 9 HB1 GLN 9 164.574 -13.140 3.228 74 1HG GLN 9 HG2 GLN 9 164.183 -10.206 3.234 75 2HG GLN 9 HG1 GLN 9 162.925 -11.199 3.966 76 1HE2 GLN 9 HE21 GLN 9 165.735 -9.577 4.538 77 2HE2 GLN 9 HE22 GLN 9 166.234 -10.372 5.989 78 H MET 10 HN MET 10 165.961 -9.492 2.161 79 HA MET 10 HA MET 10 164.038 -8.272 0.383 80 1HB MET 10 HB2 MET 10 164.429 -7.244 2.543 81 2HB MET 10 HB1 MET 10 166.144 -7.081 2.192 82 1HG MET 10 HG2 MET 10 165.195 -4.950 1.887 83 2HG MET 10 HG1 MET 10 165.501 -5.590 0.275 84 1HE MET 10 HE1 MET 10 161.511 -4.486 2.150 85 2HE MET 10 HE2 MET 10 163.140 -4.042 2.662 86 3HE MET 10 HE3 MET 10 162.513 -5.654 3.010 87 H GLU 11 HN GLU 11 164.477 -8.243 -1.728 88 HA GLU 11 HA GLU 11 167.094 -8.362 -2.809 89 1HB GLU 11 HB2 GLU 11 164.350 -7.970 -3.908 90 2HB GLU 11 HB1 GLU 11 165.716 -7.541 -4.927 91 1HG GLU 11 HG2 GLU 11 166.405 -10.023 -3.951 92 2HG GLU 11 HG1 GLU 11 164.667 -10.149 -4.218 93 H ILE 12 HN ILE 12 167.509 -6.598 -4.693 94 HA ILE 12 HA ILE 12 167.733 -4.062 -3.243 95 HB ILE 12 HB ILE 12 169.093 -4.621 -5.856 96 1HG1 ILE 12 HG12 ILE 12 169.767 -6.530 -4.623 97 2HG1 ILE 12 HG11 ILE 12 171.074 -5.369 -4.426 98 1HG2 ILE 12 HG21 ILE 12 170.844 -3.189 -4.538 99 2HG2 ILE 12 HG22 ILE 12 169.436 -2.742 -3.573 100 3HG2 ILE 12 HG23 ILE 12 169.454 -2.427 -5.308 101 1HD1 ILE 12 HD11 ILE 12 169.421 -6.629 -2.441 102 2HD1 ILE 12 HD12 ILE 12 169.361 -4.873 -2.296 103 3HD1 ILE 12 HD13 ILE 12 170.913 -5.710 -2.250 104 H THR 13 HN THR 13 166.075 -2.736 -3.592 105 HA THR 13 HA THR 13 164.559 -2.761 -6.027 106 HB THR 13 HB THR 13 163.153 -1.167 -5.001 107 HG1 THR 13 HG1 THR 13 164.029 0.444 -4.021 108 1HG2 THR 13 HG21 THR 13 163.936 -2.161 -2.391 109 2HG2 THR 13 HG22 THR 13 163.777 -3.435 -3.601 110 3HG2 THR 13 HG23 THR 13 162.423 -2.353 -3.276 111 HA PRO 14 HA PRO 14 166.645 0.158 -8.567 112 1HB PRO 14 HB2 PRO 14 164.551 1.916 -9.152 113 2HB PRO 14 HB1 PRO 14 164.941 0.442 -10.043 114 1HG PRO 14 HG2 PRO 14 162.887 0.895 -7.928 115 2HG PRO 14 HG1 PRO 14 162.802 -0.120 -9.380 116 1HD PRO 14 HD2 PRO 14 163.180 -1.191 -6.956 117 2HD PRO 14 HD1 PRO 14 163.998 -1.849 -8.389 118 H ALA 15 HN ALA 15 164.621 1.380 -5.968 119 HA ALA 15 HA ALA 15 165.744 4.004 -5.931 120 1HB ALA 15 HB1 ALA 15 163.565 2.788 -4.754 121 2HB ALA 15 HB2 ALA 15 164.133 4.428 -4.445 122 3HB ALA 15 HB3 ALA 15 164.641 3.108 -3.393 123 H ILE 16 HN ILE 16 166.436 0.976 -4.272 124 HA ILE 16 HA ILE 16 168.336 2.092 -2.456 125 HB ILE 16 HB ILE 16 167.933 -0.775 -3.332 126 1HG1 ILE 16 HG12 ILE 16 167.066 0.643 -0.806 127 2HG1 ILE 16 HG11 ILE 16 166.008 0.293 -2.169 128 1HG2 ILE 16 HG21 ILE 16 169.669 0.431 -1.194 129 2HG2 ILE 16 HG22 ILE 16 170.132 -0.665 -2.496 130 3HG2 ILE 16 HG23 ILE 16 169.151 -1.255 -1.156 131 1HD1 ILE 16 HD11 ILE 16 167.324 -2.105 -1.345 132 2HD1 ILE 16 HD12 ILE 16 165.602 -1.728 -1.376 133 3HD1 ILE 16 HD13 ILE 16 166.567 -1.329 0.045 134 H ARG 17 HN ARG 17 168.646 0.144 -5.426 135 HA ARG 17 HA ARG 17 171.432 0.140 -5.559 136 1HB ARG 17 HB2 ARG 17 171.206 -0.608 -7.790 137 2HB ARG 17 HB1 ARG 17 169.800 -1.230 -6.941 138 1HG ARG 17 HG2 ARG 17 168.576 -0.381 -8.580 139 2HG ARG 17 HG1 ARG 17 168.951 1.213 -7.925 140 1HD ARG 17 HD2 ARG 17 171.166 0.402 -9.486 141 2HD ARG 17 HD1 ARG 17 169.714 0.071 -10.428 142 HE ARG 17 HE ARG 17 169.332 2.596 -9.488 143 1HH1 ARG 17 HH11 ARG 17 171.868 1.031 -11.306 144 2HH1 ARG 17 HH12 ARG 17 172.319 2.471 -12.153 145 1HH2 ARG 17 HH21 ARG 17 169.924 4.490 -10.606 146 2HH2 ARG 17 HH22 ARG 17 171.217 4.435 -11.756 147 H GLN 18 HN GLN 18 169.102 2.567 -6.490 148 HA GLN 18 HA GLN 18 170.949 4.178 -7.974 149 1HB GLN 18 HB2 GLN 18 168.413 4.146 -8.223 150 2HB GLN 18 HB1 GLN 18 168.352 5.097 -6.745 151 1HG GLN 18 HG2 GLN 18 169.820 5.915 -9.240 152 2HG GLN 18 HG1 GLN 18 168.192 6.440 -8.817 153 1HE2 GLN 18 HE21 GLN 18 168.351 6.987 -6.196 154 2HE2 GLN 18 HE22 GLN 18 169.484 8.257 -5.901 155 H HIS 19 HN HIS 19 169.741 4.109 -4.668 156 HA HIS 19 HA HIS 19 170.919 6.574 -3.878 157 1HB HIS 19 HB2 HIS 19 169.220 4.642 -2.712 158 2HB HIS 19 HB1 HIS 19 170.625 4.765 -1.658 159 HD1 HIS 19 HD1 HIS 19 168.505 7.355 -3.491 160 HD2 HIS 19 HD2 HIS 19 170.082 6.566 0.270 161 HE1 HIS 19 HE1 HIS 19 167.796 9.288 -2.047 162 HE2 HIS 19 HE2 HIS 19 168.694 8.748 0.244 163 H VAL 20 HN VAL 20 171.811 3.229 -2.981 164 HA VAL 20 HA VAL 20 174.244 3.834 -1.796 165 HB VAL 20 HB VAL 20 173.048 1.610 -1.745 166 1HG1 VAL 20 HG11 VAL 20 173.674 -0.046 -3.447 167 2HG1 VAL 20 HG12 VAL 20 174.469 1.226 -4.375 168 3HG1 VAL 20 HG13 VAL 20 172.724 1.277 -4.125 169 1HG2 VAL 20 HG21 VAL 20 174.972 0.472 -1.145 170 2HG2 VAL 20 HG22 VAL 20 175.473 2.157 -1.019 171 3HG2 VAL 20 HG23 VAL 20 175.929 1.205 -2.431 172 H ALA 21 HN ALA 21 173.506 3.191 -5.191 173 HA ALA 21 HA ALA 21 176.128 3.055 -6.163 174 1HB ALA 21 HB1 ALA 21 175.075 3.820 -8.342 175 2HB ALA 21 HB2 ALA 21 173.550 3.899 -7.458 176 3HB ALA 21 HB3 ALA 21 174.403 2.362 -7.610 177 H ASP 22 HN ASP 22 173.951 5.844 -5.824 178 HA ASP 22 HA ASP 22 175.671 7.771 -6.913 179 1HB ASP 22 HB2 ASP 22 173.193 8.013 -6.363 180 2HB ASP 22 HB1 ASP 22 173.690 8.302 -4.699 181 H ARG 23 HN ARG 23 175.399 6.450 -3.667 182 HA ARG 23 HA ARG 23 177.229 8.326 -2.500 183 1HB ARG 23 HB2 ARG 23 176.696 5.671 -1.242 184 2HB ARG 23 HB1 ARG 23 176.855 7.252 -0.490 185 1HG ARG 23 HG2 ARG 23 174.600 7.602 -1.950 186 2HG ARG 23 HG1 ARG 23 174.485 5.888 -1.548 187 1HD ARG 23 HD2 ARG 23 174.328 6.283 0.706 188 2HD ARG 23 HD1 ARG 23 175.195 7.815 0.606 189 HE ARG 23 HE ARG 23 172.364 7.399 0.316 190 1HH1 ARG 23 HH11 ARG 23 175.042 9.507 -0.435 191 2HH1 ARG 23 HH12 ARG 23 174.043 10.908 -0.637 192 1HH2 ARG 23 HH21 ARG 23 171.050 9.238 0.048 193 2HH2 ARG 23 HH22 ARG 23 171.778 10.756 -0.364 194 H LEU 24 HN LEU 24 177.418 4.871 -3.330 195 HA LEU 24 HA LEU 24 180.129 4.530 -2.695 196 1HB LEU 24 HB2 LEU 24 178.278 2.790 -3.216 197 2HB LEU 24 HB1 LEU 24 178.767 3.001 -4.886 198 HG LEU 24 HG LEU 24 181.009 2.232 -4.377 199 1HD1 LEU 24 HD11 LEU 24 181.545 2.942 -2.252 200 2HD1 LEU 24 HD12 LEU 24 181.282 1.217 -1.998 201 3HD1 LEU 24 HD13 LEU 24 180.024 2.375 -1.562 202 1HD2 LEU 24 HD21 LEU 24 178.917 0.403 -3.204 203 2HD2 LEU 24 HD22 LEU 24 180.509 -0.082 -3.790 204 3HD2 LEU 24 HD23 LEU 24 179.312 0.558 -4.917 205 H ALA 25 HN ALA 25 178.563 5.188 -5.822 206 HA ALA 25 HA ALA 25 180.850 5.221 -7.410 207 1HB ALA 25 HB1 ALA 25 178.267 6.744 -7.700 208 2HB ALA 25 HB2 ALA 25 178.687 5.193 -8.427 209 3HB ALA 25 HB3 ALA 25 179.512 6.662 -8.947 210 H LYS 26 HN LYS 26 179.186 8.001 -5.914 211 HA LYS 26 HA LYS 26 181.108 9.910 -6.680 212 1HB LYS 26 HB2 LYS 26 179.079 9.912 -4.446 213 2HB LYS 26 HB1 LYS 26 180.067 11.305 -4.858 214 1HG LYS 26 HG2 LYS 26 178.034 9.948 -6.614 215 2HG LYS 26 HG1 LYS 26 177.905 11.542 -5.867 216 1HD LYS 26 HD2 LYS 26 178.670 12.289 -7.844 217 2HD LYS 26 HD1 LYS 26 180.245 11.778 -7.234 218 1HE LYS 26 HE2 LYS 26 179.712 10.972 -9.539 219 2HE LYS 26 HE1 LYS 26 180.101 9.695 -8.387 220 1HZ LYS 26 HZ1 LYS 26 177.287 10.418 -8.706 221 2HZ LYS 26 HZ2 LYS 26 177.986 8.909 -8.403 222 3HZ LYS 26 HZ3 LYS 26 178.015 9.554 -9.966 223 H LEU 27 HN LEU 27 181.188 7.497 -4.262 224 HA LEU 27 HA LEU 27 182.872 8.774 -2.378 225 1HB LEU 27 HB2 LEU 27 181.499 6.465 -2.379 226 2HB LEU 27 HB1 LEU 27 183.098 5.844 -2.745 227 HG LEU 27 HG LEU 27 182.979 7.729 -0.482 228 1HD1 LEU 27 HD11 LEU 27 181.873 4.950 -0.152 229 2HD1 LEU 27 HD12 LEU 27 180.873 6.398 -0.252 230 3HD1 LEU 27 HD13 LEU 27 182.019 6.207 1.075 231 1HD2 LEU 27 HD21 LEU 27 184.131 5.040 -0.209 232 2HD2 LEU 27 HD22 LEU 27 184.819 6.618 0.176 233 3HD2 LEU 27 HD23 LEU 27 184.832 6.032 -1.488 234 H GLU 28 HN GLU 28 183.481 7.694 -5.530 235 HA GLU 28 HA GLU 28 186.117 6.759 -5.317 236 1HB GLU 28 HB2 GLU 28 184.360 7.737 -7.472 237 2HB GLU 28 HB1 GLU 28 186.081 7.920 -7.780 238 1HG GLU 28 HG2 GLU 28 185.334 5.296 -6.736 239 2HG GLU 28 HG1 GLU 28 184.615 5.687 -8.297 240 H LYS 29 HN LYS 29 184.832 9.906 -4.927 241 HA LYS 29 HA LYS 29 187.391 11.197 -5.478 242 1HB LYS 29 HB2 LYS 29 184.926 12.050 -6.044 243 2HB LYS 29 HB1 LYS 29 185.074 12.739 -4.433 244 1HG LYS 29 HG2 LYS 29 185.937 14.476 -5.569 245 2HG LYS 29 HG1 LYS 29 187.419 13.525 -5.469 246 1HD LYS 29 HD2 LYS 29 187.010 12.604 -7.676 247 2HD LYS 29 HD1 LYS 29 185.469 13.459 -7.772 248 1HE LYS 29 HE2 LYS 29 188.104 14.867 -7.410 249 2HE LYS 29 HE1 LYS 29 187.416 14.516 -8.995 250 1HZ LYS 29 HZ1 LYS 29 186.032 16.081 -6.887 251 2HZ LYS 29 HZ2 LYS 29 185.518 15.850 -8.481 252 3HZ LYS 29 HZ3 LYS 29 186.902 16.768 -8.164 253 H TRP 30 HN TRP 30 186.775 9.389 -3.107 254 HA TRP 30 HA TRP 30 187.239 11.281 -0.915 255 1HB TRP 30 HB2 TRP 30 186.001 8.632 -1.125 256 2HB TRP 30 HB1 TRP 30 187.100 8.780 0.238 257 HD1 TRP 30 HD1 TRP 30 183.734 10.001 -1.040 258 HE1 TRP 30 HE1 TRP 30 182.522 11.242 0.861 259 HE3 TRP 30 HE3 TRP 30 187.550 10.210 2.357 260 HZ2 TRP 30 HZ2 TRP 30 183.105 12.184 3.459 261 HZ3 TRP 30 HZ3 TRP 30 187.141 11.298 4.526 262 HH2 TRP 30 HH2 TRP 30 184.964 12.264 5.063 263 H GLN 31 HN GLN 31 189.291 10.759 -2.858 264 HA GLN 31 HA GLN 31 191.472 10.118 -3.069 265 1HB GLN 31 HB2 GLN 31 191.090 11.261 -0.396 266 2HB GLN 31 HB1 GLN 31 192.539 10.277 -0.546 267 1HG GLN 31 HG2 GLN 31 192.968 12.643 -0.991 268 2HG GLN 31 HG1 GLN 31 193.312 11.626 -2.390 269 1HE2 GLN 31 HE21 GLN 31 190.330 13.036 -1.088 270 2HE2 GLN 31 HE22 GLN 31 189.874 13.849 -2.543 271 H THR 32 HN THR 32 189.448 7.979 -2.144 272 HA THR 32 HA THR 32 191.210 6.123 -0.761 273 HB THR 32 HB THR 32 188.959 4.687 -1.280 274 HG1 THR 32 HG1 THR 32 187.845 6.319 -2.273 275 1HG2 THR 32 HG21 THR 32 189.331 6.644 0.973 276 2HG2 THR 32 HG22 THR 32 189.849 4.959 0.938 277 3HG2 THR 32 HG23 THR 32 188.130 5.353 0.932 278 H HIS 33 HN HIS 33 190.676 3.713 -1.688 279 HA HIS 33 HA HIS 33 191.092 3.728 -4.586 280 1HB HIS 33 HB2 HIS 33 192.939 2.448 -2.571 281 2HB HIS 33 HB1 HIS 33 192.964 2.073 -4.290 282 HD1 HIS 33 HD1 HIS 33 193.808 3.950 -5.900 283 HD2 HIS 33 HD2 HIS 33 194.133 4.855 -1.856 284 HE1 HIS 33 HE1 HIS 33 195.327 5.951 -5.778 285 HE2 HIS 33 HE2 HIS 33 195.461 6.518 -3.326 286 H LEU 34 HN LEU 34 189.263 2.616 -2.179 287 HA LEU 34 HA LEU 34 188.827 0.129 -1.805 288 1HB LEU 34 HB2 LEU 34 186.447 0.764 -3.250 289 2HB LEU 34 HB1 LEU 34 186.699 0.659 -1.523 290 HG LEU 34 HG LEU 34 187.704 3.135 -2.013 291 1HD1 LEU 34 HD11 LEU 34 186.710 2.606 -4.438 292 2HD1 LEU 34 HD12 LEU 34 186.733 4.223 -3.737 293 3HD1 LEU 34 HD13 LEU 34 185.263 3.252 -3.665 294 1HD2 LEU 34 HD21 LEU 34 185.711 2.054 -0.556 295 2HD2 LEU 34 HD22 LEU 34 184.790 3.054 -1.682 296 3HD2 LEU 34 HD23 LEU 34 186.034 3.784 -0.666 297 H ILE 35 HN ILE 35 188.595 -1.825 -2.704 298 HA ILE 35 HA ILE 35 188.519 -1.962 -5.650 299 HB ILE 35 HB ILE 35 189.892 -4.235 -4.479 300 1HG1 ILE 35 HG12 ILE 35 191.178 -1.515 -4.132 301 2HG1 ILE 35 HG11 ILE 35 190.642 -2.568 -2.826 302 1HG2 ILE 35 HG21 ILE 35 189.852 -3.683 -6.858 303 2HG2 ILE 35 HG22 ILE 35 191.502 -3.742 -6.238 304 3HG2 ILE 35 HG23 ILE 35 190.724 -2.186 -6.527 305 1HD1 ILE 35 HD11 ILE 35 193.165 -2.465 -3.881 306 2HD1 ILE 35 HD12 ILE 35 192.469 -3.883 -4.667 307 3HD1 ILE 35 HD13 ILE 35 192.506 -3.778 -2.907 308 H ASN 36 HN ASN 36 187.958 -3.807 -2.653 309 HA ASN 36 HA ASN 36 186.033 -5.465 -4.131 310 1HB ASN 36 HB2 ASN 36 187.336 -5.988 -1.453 311 2HB ASN 36 HB1 ASN 36 186.262 -7.088 -2.311 312 1HD2 ASN 36 HD21 ASN 36 189.100 -7.300 -1.444 313 2HD2 ASN 36 HD22 ASN 36 189.968 -7.741 -2.870 314 HA PRO 37 HA PRO 37 183.431 -2.657 -1.437 315 1HB PRO 37 HB2 PRO 37 181.611 -2.077 -3.364 316 2HB PRO 37 HB1 PRO 37 183.104 -1.155 -3.156 317 1HG PRO 37 HG2 PRO 37 182.508 -3.372 -5.084 318 2HG PRO 37 HG1 PRO 37 183.305 -1.817 -5.384 319 1HD PRO 37 HD2 PRO 37 184.718 -4.080 -5.062 320 2HD PRO 37 HD1 PRO 37 185.306 -2.518 -4.457 321 H HIS 38 HN HIS 38 181.845 -3.516 -0.252 322 HA HIS 38 HA HIS 38 180.185 -5.643 -1.429 323 1HB HIS 38 HB2 HIS 38 182.090 -5.960 0.631 324 2HB HIS 38 HB1 HIS 38 180.513 -6.039 1.406 325 HD1 HIS 38 HD1 HIS 38 182.818 -8.319 0.427 326 HD2 HIS 38 HD2 HIS 38 178.853 -7.808 -0.710 327 HE1 HIS 38 HE1 HIS 38 182.076 -10.557 -0.448 328 HE2 HIS 38 HE2 HIS 38 179.647 -10.247 -1.046 329 H ILE 39 HN ILE 39 178.067 -5.304 -1.237 330 HA ILE 39 HA ILE 39 177.129 -3.462 0.865 331 HB ILE 39 HB ILE 39 176.138 -3.639 -1.987 332 1HG1 ILE 39 HG12 ILE 39 176.762 -1.204 -1.988 333 2HG1 ILE 39 HG11 ILE 39 177.504 -1.448 -0.411 334 1HG2 ILE 39 HG21 ILE 39 174.902 -1.482 -0.746 335 2HG2 ILE 39 HG22 ILE 39 174.783 -2.796 0.424 336 3HG2 ILE 39 HG23 ILE 39 174.152 -3.009 -1.209 337 1HD1 ILE 39 HD11 ILE 39 178.752 -1.674 -2.838 338 2HD1 ILE 39 HD12 ILE 39 178.434 -3.351 -2.397 339 3HD1 ILE 39 HD13 ILE 39 179.345 -2.310 -1.304 340 H ILE 40 HN ILE 40 176.054 -4.646 2.297 341 HA ILE 40 HA ILE 40 174.281 -6.785 1.313 342 HB ILE 40 HB ILE 40 175.626 -6.537 4.008 343 1HG1 ILE 40 HG12 ILE 40 176.556 -8.833 3.110 344 2HG1 ILE 40 HG11 ILE 40 176.174 -8.137 1.538 345 1HG2 ILE 40 HG21 ILE 40 173.647 -7.605 4.532 346 2HG2 ILE 40 HG22 ILE 40 174.708 -8.965 4.165 347 3HG2 ILE 40 HG23 ILE 40 173.543 -8.407 2.963 348 1HD1 ILE 40 HD11 ILE 40 177.528 -6.095 2.666 349 2HD1 ILE 40 HD12 ILE 40 178.267 -7.352 1.673 350 3HD1 ILE 40 HD13 ILE 40 178.314 -7.477 3.432 351 H LEU 41 HN LEU 41 172.536 -5.339 0.984 352 HA LEU 41 HA LEU 41 171.477 -3.935 3.310 353 1HB LEU 41 HB2 LEU 41 171.446 -2.678 1.279 354 2HB LEU 41 HB1 LEU 41 170.686 -3.992 0.402 355 HG LEU 41 HG LEU 41 169.048 -3.136 2.639 356 1HD1 LEU 41 HD11 LEU 41 168.398 -0.966 1.473 357 2HD1 LEU 41 HD12 LEU 41 169.961 -1.069 0.665 358 3HD1 LEU 41 HD13 LEU 41 169.884 -0.959 2.423 359 1HD2 LEU 41 HD21 LEU 41 168.220 -4.500 0.821 360 2HD2 LEU 41 HD22 LEU 41 168.624 -3.239 -0.345 361 3HD2 LEU 41 HD23 LEU 41 167.359 -2.959 0.855 362 H SER 42 HN SER 42 170.561 -5.387 4.679 363 HA SER 42 HA SER 42 168.560 -7.223 3.540 364 1HB SER 42 HB2 SER 42 170.088 -7.466 6.141 365 2HB SER 42 HB1 SER 42 168.913 -8.629 5.522 366 HG SER 42 HG SER 42 171.212 -7.865 4.060 367 H LYS 43 HN LYS 43 166.578 -7.517 4.624 368 HA LYS 43 HA LYS 43 165.688 -5.134 6.055 369 1HB LYS 43 HB2 LYS 43 164.364 -5.863 4.137 370 2HB LYS 43 HB1 LYS 43 164.133 -7.442 4.876 371 1HG LYS 43 HG2 LYS 43 163.269 -5.480 6.731 372 2HG LYS 43 HG1 LYS 43 162.559 -5.102 5.159 373 1HD LYS 43 HD2 LYS 43 161.324 -7.019 5.103 374 2HD LYS 43 HD1 LYS 43 162.500 -7.933 6.048 375 1HE LYS 43 HE2 LYS 43 161.259 -5.741 7.526 376 2HE LYS 43 HE1 LYS 43 160.108 -6.958 6.974 377 1HZ LYS 43 HZ1 LYS 43 162.315 -7.215 8.881 378 2HZ LYS 43 HZ2 LYS 43 161.918 -8.564 7.942 379 3HZ LYS 43 HZ3 LYS 43 160.753 -7.861 8.946 380 H GLU 44 HN GLU 44 165.701 -5.137 8.199 381 HA GLU 44 HA GLU 44 165.378 -7.704 9.600 382 1HB GLU 44 HB2 GLU 44 167.141 -5.437 10.011 383 2HB GLU 44 HB1 GLU 44 166.229 -5.808 11.466 384 1HG GLU 44 HG2 GLU 44 166.985 -8.160 11.280 385 2HG GLU 44 HG1 GLU 44 168.000 -7.684 9.921 386 HA PRO 45 HA PRO 45 161.375 -6.903 11.224 387 1HB PRO 45 HB2 PRO 45 162.317 -7.125 13.957 388 2HB PRO 45 HB1 PRO 45 161.312 -8.242 13.043 389 1HG PRO 45 HG2 PRO 45 164.176 -8.349 13.584 390 2HG PRO 45 HG1 PRO 45 163.105 -9.622 12.979 391 1HD PRO 45 HD2 PRO 45 165.022 -8.424 11.461 392 2HD PRO 45 HD1 PRO 45 163.524 -9.094 10.784 393 H GLN 46 HN GLN 46 163.948 -5.518 13.263 394 HA GLN 46 HA GLN 46 162.274 -3.159 13.688 395 1HB GLN 46 HB2 GLN 46 163.504 -4.662 15.493 396 2HB GLN 46 HB1 GLN 46 164.828 -3.553 15.151 397 1HG GLN 46 HG2 GLN 46 163.924 -2.030 16.469 398 2HG GLN 46 HG1 GLN 46 162.456 -2.029 15.494 399 1HE2 GLN 46 HE21 GLN 46 161.384 -4.448 15.938 400 2HE2 GLN 46 HE22 GLN 46 160.985 -4.647 17.607 401 H GLY 47 HN GLY 47 163.375 -3.162 11.153 402 1HA GLY 47 HA2 GLY 47 164.184 -0.985 10.276 403 2HA GLY 47 HA1 GLY 47 165.493 -1.116 11.432 404 H PHE 48 HN PHE 48 165.949 -0.628 8.782 405 HA PHE 48 HA PHE 48 166.598 -3.016 7.332 406 1HB PHE 48 HB2 PHE 48 166.785 -0.104 6.900 407 2HB PHE 48 HB1 PHE 48 168.053 -1.041 6.126 408 HD1 PHE 48 HD1 PHE 48 166.466 -3.498 5.445 409 HD2 PHE 48 HD2 PHE 48 165.570 0.641 5.083 410 HE1 PHE 48 HE1 PHE 48 164.950 -3.993 3.569 411 HE2 PHE 48 HE2 PHE 48 164.059 0.157 3.203 412 HZ PHE 48 HZ PHE 48 163.746 -2.158 2.444 413 H VAL 49 HN VAL 49 168.641 -3.872 6.938 414 HA VAL 49 HA VAL 49 170.724 -3.065 8.859 415 HB VAL 49 HB VAL 49 170.600 -5.724 7.453 416 1HG1 VAL 49 HG11 VAL 49 172.110 -6.454 9.147 417 2HG1 VAL 49 HG12 VAL 49 171.905 -4.955 10.057 418 3HG1 VAL 49 HG13 VAL 49 172.736 -4.936 8.502 419 1HG2 VAL 49 HG21 VAL 49 169.621 -6.599 9.569 420 2HG2 VAL 49 HG22 VAL 49 168.539 -5.554 8.649 421 3HG2 VAL 49 HG23 VAL 49 169.361 -4.931 10.078 422 H ALA 50 HN ALA 50 171.290 -1.391 7.270 423 HA ALA 50 HA ALA 50 172.378 -2.166 4.731 424 1HB ALA 50 HB1 ALA 50 173.203 0.233 4.716 425 2HB ALA 50 HB2 ALA 50 172.383 0.419 6.265 426 3HB ALA 50 HB3 ALA 50 171.458 0.002 4.824 427 H ASP 51 HN ASP 51 174.044 -3.607 5.014 428 HA ASP 51 HA ASP 51 176.346 -2.683 6.599 429 1HB ASP 51 HB2 ASP 51 175.055 -5.057 6.819 430 2HB ASP 51 HB1 ASP 51 176.300 -5.482 5.649 431 H ALA 52 HN ALA 52 177.210 -1.350 4.974 432 HA ALA 52 HA ALA 52 178.085 -2.684 2.510 433 1HB ALA 52 HB1 ALA 52 177.297 0.033 3.188 434 2HB ALA 52 HB2 ALA 52 177.346 -0.775 1.620 435 3HB ALA 52 HB3 ALA 52 178.805 -0.034 2.276 436 H THR 53 HN THR 53 179.996 -3.662 2.750 437 HA THR 53 HA THR 53 182.103 -2.272 4.264 438 HB THR 53 HB THR 53 181.933 -5.213 3.584 439 HG1 THR 53 HG1 THR 53 181.398 -5.429 5.805 440 1HG2 THR 53 HG21 THR 53 183.663 -5.547 5.205 441 2HG2 THR 53 HG22 THR 53 183.690 -3.827 5.593 442 3HG2 THR 53 HG23 THR 53 184.220 -4.381 4.004 443 H ILE 54 HN ILE 54 183.598 -1.327 3.068 444 HA ILE 54 HA ILE 54 184.184 -2.435 0.399 445 HB ILE 54 HB ILE 54 185.118 0.299 0.891 446 1HG1 ILE 54 HG12 ILE 54 182.158 -0.324 0.947 447 2HG1 ILE 54 HG11 ILE 54 183.090 0.526 2.173 448 1HG2 ILE 54 HG21 ILE 54 184.566 0.608 -1.333 449 2HG2 ILE 54 HG22 ILE 54 183.265 -0.581 -1.282 450 3HG2 ILE 54 HG23 ILE 54 184.948 -1.113 -1.275 451 1HD1 ILE 54 HD11 ILE 54 183.376 1.890 -0.310 452 2HD1 ILE 54 HD12 ILE 54 182.650 2.452 1.196 453 3HD1 ILE 54 HD13 ILE 54 181.665 1.603 0.006 454 H ASN 55 HN ASN 55 186.262 -2.898 -0.156 455 HA ASN 55 HA ASN 55 188.182 -2.965 2.018 456 1HB ASN 55 HB2 ASN 55 187.627 -4.756 0.068 457 2HB ASN 55 HB1 ASN 55 189.002 -3.926 -0.654 458 1HD2 ASN 55 HD21 ASN 55 190.370 -3.315 1.741 459 2HD2 ASN 55 HD22 ASN 55 190.978 -4.792 2.397 460 H THR 56 HN THR 56 188.501 -0.664 2.124 461 HA THR 56 HA THR 56 189.942 0.568 -0.093 462 HB THR 56 HB THR 56 189.895 2.429 1.935 463 HG1 THR 56 HG1 THR 56 188.570 1.483 3.321 464 1HG2 THR 56 HG21 THR 56 187.881 3.364 0.808 465 2HG2 THR 56 HG22 THR 56 187.850 1.920 -0.202 466 3HG2 THR 56 HG23 THR 56 189.234 3.011 -0.266 467 HA PRO 57 HA PRO 57 193.959 0.108 1.671 468 1HB PRO 57 HB2 PRO 57 195.143 2.496 1.187 469 2HB PRO 57 HB1 PRO 57 194.793 1.327 -0.090 470 1HG PRO 57 HG2 PRO 57 193.251 3.765 0.720 471 2HG PRO 57 HG1 PRO 57 193.660 3.191 -0.906 472 1HD PRO 57 HD2 PRO 57 191.226 2.788 0.202 473 2HD PRO 57 HD1 PRO 57 191.965 1.627 -0.920 474 H ASN 58 HN ASN 58 191.789 2.388 2.966 475 HA ASN 58 HA ASN 58 193.520 3.435 5.001 476 1HB ASN 58 HB2 ASN 58 191.576 4.567 5.841 477 2HB ASN 58 HB1 ASN 58 191.535 4.659 4.083 478 1HD2 ASN 58 HD21 ASN 58 189.508 4.593 6.406 479 2HD2 ASN 58 HD22 ASN 58 188.303 3.493 5.839 480 H GLY 59 HN GLY 59 191.671 0.571 4.624 481 1HA GLY 59 HA2 GLY 59 192.338 -1.160 6.315 482 2HA GLY 59 HA1 GLY 59 191.904 0.041 7.513 483 H VAL 60 HN VAL 60 190.136 -0.510 4.601 484 HA VAL 60 HA VAL 60 188.129 -1.505 4.146 485 HB VAL 60 HB VAL 60 188.967 -2.963 6.384 486 1HG1 VAL 60 HG11 VAL 60 186.079 -2.173 6.735 487 2HG1 VAL 60 HG12 VAL 60 187.408 -1.670 7.779 488 3HG1 VAL 60 HG13 VAL 60 186.962 -3.374 7.677 489 1HG2 VAL 60 HG21 VAL 60 186.915 -4.418 5.559 490 2HG2 VAL 60 HG22 VAL 60 188.382 -4.235 4.598 491 3HG2 VAL 60 HG23 VAL 60 186.958 -3.263 4.226 492 H LEU 61 HN LEU 61 186.264 -0.476 3.913 493 HA LEU 61 HA LEU 61 185.530 1.545 5.925 494 1HB LEU 61 HB2 LEU 61 185.196 1.403 2.951 495 2HB LEU 61 HB1 LEU 61 184.118 2.403 3.904 496 HG LEU 61 HG LEU 61 187.115 2.692 3.990 497 1HD1 LEU 61 HD11 LEU 61 186.115 3.063 1.700 498 2HD1 LEU 61 HD12 LEU 61 186.984 4.430 2.398 499 3HD1 LEU 61 HD13 LEU 61 185.221 4.407 2.408 500 1HD2 LEU 61 HD21 LEU 61 186.751 4.650 5.175 501 2HD2 LEU 61 HD22 LEU 61 185.533 3.561 5.837 502 3HD2 LEU 61 HD23 LEU 61 185.074 4.777 4.648 503 H VAL 62 HN VAL 62 184.259 0.246 7.268 504 HA VAL 62 HA VAL 62 182.056 -1.236 6.066 505 HB VAL 62 HB VAL 62 183.407 -2.277 7.873 506 1HG1 VAL 62 HG11 VAL 62 181.977 -0.672 9.922 507 2HG1 VAL 62 HG12 VAL 62 183.402 0.034 9.159 508 3HG1 VAL 62 HG13 VAL 62 183.529 -1.505 10.013 509 1HG2 VAL 62 HG21 VAL 62 181.113 -2.606 9.333 510 2HG2 VAL 62 HG22 VAL 62 181.531 -3.486 7.863 511 3HG2 VAL 62 HG23 VAL 62 180.501 -2.057 7.772 512 H ALA 63 HN ALA 63 180.449 0.087 5.465 513 HA ALA 63 HA ALA 63 179.579 2.236 7.235 514 1HB ALA 63 HB1 ALA 63 178.063 1.829 4.769 515 2HB ALA 63 HB2 ALA 63 179.788 2.085 4.513 516 3HB ALA 63 HB3 ALA 63 178.843 3.280 5.398 517 H SER 64 HN SER 64 178.058 1.853 8.703 518 HA SER 64 HA SER 64 176.129 -0.312 8.207 519 1HB SER 64 HB2 SER 64 176.253 0.766 10.936 520 2HB SER 64 HB1 SER 64 176.284 -0.909 10.380 521 HG SER 64 HG SER 64 178.460 0.914 10.431 522 H GLY 65 HN GLY 65 174.104 0.241 7.760 523 1HA GLY 65 HA2 GLY 65 173.141 2.873 8.704 524 2HA GLY 65 HA1 GLY 65 172.767 2.253 7.105 525 H LYS 66 HN LYS 66 172.229 1.790 10.550 526 HA LYS 66 HA LYS 66 170.078 -0.100 10.052 527 1HB LYS 66 HB2 LYS 66 171.541 -0.530 11.944 528 2HB LYS 66 HB1 LYS 66 171.187 1.054 12.615 529 1HG LYS 66 HG2 LYS 66 168.750 -0.400 12.186 530 2HG LYS 66 HG1 LYS 66 169.880 -1.360 13.143 531 1HD LYS 66 HD2 LYS 66 169.436 1.516 13.820 532 2HD LYS 66 HD1 LYS 66 168.251 0.307 14.320 533 1HE LYS 66 HE2 LYS 66 169.549 0.032 16.120 534 2HE LYS 66 HE1 LYS 66 170.624 -0.857 15.042 535 1HZ LYS 66 HZ1 LYS 66 171.926 0.746 16.160 536 2HZ LYS 66 HZ2 LYS 66 170.822 1.989 15.845 537 3HZ LYS 66 HZ3 LYS 66 171.728 1.325 14.581 538 H HIS 67 HN HIS 67 168.060 0.568 9.645 539 HA HIS 67 HA HIS 67 166.733 2.517 11.203 540 1HB HIS 67 HB2 HIS 67 168.388 3.689 9.328 541 2HB HIS 67 HB1 HIS 67 166.821 3.699 8.531 542 HD1 HIS 67 HD1 HIS 67 165.597 4.018 11.675 543 HD2 HIS 67 HD2 HIS 67 167.996 6.556 9.424 544 HE1 HIS 67 HE1 HIS 67 165.270 6.306 12.666 545 HE2 HIS 67 HE2 HIS 67 166.793 7.811 11.339 546 H GLU 68 HN GLU 68 164.530 2.637 10.780 547 HA GLU 68 HA GLU 68 163.375 0.440 9.450 548 1HB GLU 68 HB2 GLU 68 162.108 3.017 10.386 549 2HB GLU 68 HB1 GLU 68 161.219 1.588 9.876 550 1HG GLU 68 HG2 GLU 68 163.033 0.711 11.820 551 2HG GLU 68 HG1 GLU 68 162.350 2.217 12.432 552 H ASP 69 HN ASP 69 163.768 3.826 8.514 553 HA ASP 69 HA ASP 69 162.326 3.499 6.053 554 1HB ASP 69 HB2 ASP 69 164.206 5.742 6.786 555 2HB ASP 69 HB1 ASP 69 162.914 5.780 5.593 556 H MET 70 HN MET 70 163.124 3.295 3.999 557 HA MET 70 HA MET 70 165.525 1.861 3.672 558 1HB MET 70 HB2 MET 70 163.446 1.800 2.209 559 2HB MET 70 HB1 MET 70 164.036 3.281 1.474 560 1HG MET 70 HG2 MET 70 165.744 2.237 0.392 561 2HG MET 70 HG1 MET 70 165.875 0.960 1.600 562 1HE MET 70 HE1 MET 70 162.991 1.122 -1.964 563 2HE MET 70 HE2 MET 70 164.281 2.263 -1.585 564 3HE MET 70 HE3 MET 70 162.787 2.278 -0.649 565 H TYR 71 HN TYR 71 164.722 5.043 2.261 566 HA TYR 71 HA TYR 71 167.346 5.642 1.508 567 1HB TYR 71 HB2 TYR 71 164.858 7.249 1.869 568 2HB TYR 71 HB1 TYR 71 166.382 8.096 1.641 569 HD1 TYR 71 HD1 TYR 71 164.853 8.889 -0.381 570 HD2 TYR 71 HD2 TYR 71 166.590 5.017 -0.045 571 HE1 TYR 71 HE1 TYR 71 164.659 8.591 -2.815 572 HE2 TYR 71 HE2 TYR 71 166.408 4.711 -2.467 573 HH TYR 71 HH TYR 71 164.492 6.544 -4.412 574 H THR 72 HN THR 72 165.588 6.526 4.476 575 HA THR 72 HA THR 72 167.579 8.167 5.566 576 HB THR 72 HB THR 72 165.928 6.382 7.317 577 HG1 THR 72 HG1 THR 72 164.176 7.806 6.983 578 1HG2 THR 72 HG21 THR 72 166.069 9.310 7.670 579 2HG2 THR 72 HG22 THR 72 167.529 8.382 8.011 580 3HG2 THR 72 HG23 THR 72 166.031 8.018 8.868 581 H ALA 73 HN ALA 73 167.268 4.700 5.384 582 HA ALA 73 HA ALA 73 169.210 4.018 7.323 583 1HB ALA 73 HB1 ALA 73 167.647 2.641 5.295 584 2HB ALA 73 HB2 ALA 73 168.207 2.076 6.869 585 3HB ALA 73 HB3 ALA 73 169.271 1.973 5.466 586 H ILE 74 HN ILE 74 169.391 4.438 3.799 587 HA ILE 74 HA ILE 74 172.169 3.884 3.611 588 HB ILE 74 HB ILE 74 171.427 5.749 1.552 589 1HG1 ILE 74 HG12 ILE 74 169.087 5.034 2.164 590 2HG1 ILE 74 HG11 ILE 74 169.560 4.692 0.506 591 1HG2 ILE 74 HG21 ILE 74 172.216 2.875 1.709 592 2HG2 ILE 74 HG22 ILE 74 173.099 4.250 1.045 593 3HG2 ILE 74 HG23 ILE 74 171.719 3.583 0.172 594 1HD1 ILE 74 HD11 ILE 74 168.406 2.796 1.243 595 2HD1 ILE 74 HD12 ILE 74 169.266 2.766 2.782 596 3HD1 ILE 74 HD13 ILE 74 170.113 2.353 1.291 597 H ASN 75 HN ASN 75 170.341 6.720 4.423 598 HA ASN 75 HA ASN 75 172.468 8.587 4.055 599 1HB ASN 75 HB2 ASN 75 169.801 8.667 5.439 600 2HB ASN 75 HB1 ASN 75 170.953 9.982 5.655 601 1HD2 ASN 75 HD21 ASN 75 168.290 9.363 4.107 602 2HD2 ASN 75 HD22 ASN 75 168.560 10.156 2.596 603 H GLU 76 HN GLU 76 171.398 6.496 6.631 604 HA GLU 76 HA GLU 76 172.944 7.718 8.696 605 1HB GLU 76 HB2 GLU 76 170.943 5.799 8.587 606 2HB GLU 76 HB1 GLU 76 172.359 4.892 9.100 607 1HG GLU 76 HG2 GLU 76 172.698 6.643 10.876 608 2HG GLU 76 HG1 GLU 76 171.107 7.268 10.443 609 H LEU 77 HN LEU 77 173.424 4.890 6.590 610 HA LEU 77 HA LEU 77 175.860 4.080 7.745 611 1HB LEU 77 HB2 LEU 77 176.113 2.605 5.942 612 2HB LEU 77 HB1 LEU 77 174.385 2.728 6.201 613 HG LEU 77 HG LEU 77 174.526 4.549 4.318 614 1HD1 LEU 77 HD11 LEU 77 176.584 2.959 3.032 615 2HD1 LEU 77 HD12 LEU 77 177.191 3.846 4.429 616 3HD1 LEU 77 HD13 LEU 77 176.392 4.710 3.117 617 1HD2 LEU 77 HD21 LEU 77 173.933 2.899 2.720 618 2HD2 LEU 77 HD22 LEU 77 173.366 2.318 4.285 619 3HD2 LEU 77 HD23 LEU 77 174.836 1.651 3.577 620 H ILE 78 HN ILE 78 175.097 6.385 5.210 621 HA ILE 78 HA ILE 78 177.748 6.755 4.293 622 HB ILE 78 HB ILE 78 175.279 7.623 3.460 623 1HG1 ILE 78 HG12 ILE 78 177.125 7.168 1.985 624 2HG1 ILE 78 HG11 ILE 78 176.545 8.799 1.666 625 1HG2 ILE 78 HG21 ILE 78 176.799 10.083 4.311 626 2HG2 ILE 78 HG22 ILE 78 175.314 9.490 5.057 627 3HG2 ILE 78 HG23 ILE 78 175.300 10.041 3.382 628 1HD1 ILE 78 HD11 ILE 78 178.802 8.427 3.564 629 2HD1 ILE 78 HD12 ILE 78 178.435 9.777 2.492 630 3HD1 ILE 78 HD13 ILE 78 179.098 8.282 1.833 631 H ASN 79 HN ASN 79 175.787 8.469 6.703 632 HA ASN 79 HA ASN 79 177.607 10.511 7.291 633 1HB ASN 79 HB2 ASN 79 175.594 9.200 9.129 634 2HB ASN 79 HB1 ASN 79 176.382 10.749 9.416 635 1HD2 ASN 79 HD21 ASN 79 173.535 9.960 9.029 636 2HD2 ASN 79 HD22 ASN 79 172.956 10.992 7.771 637 H LYS 80 HN LYS 80 177.061 7.469 9.076 638 HA LYS 80 HA LYS 80 179.114 7.754 10.923 639 1HB LYS 80 HB2 LYS 80 177.337 5.666 10.053 640 2HB LYS 80 HB1 LYS 80 178.940 5.000 10.332 641 1HG LYS 80 HG2 LYS 80 177.541 4.861 12.322 642 2HG LYS 80 HG1 LYS 80 178.945 5.899 12.587 643 1HD LYS 80 HD2 LYS 80 177.191 7.750 11.777 644 2HD LYS 80 HD1 LYS 80 176.066 6.583 12.473 645 1HE LYS 80 HE2 LYS 80 176.855 8.342 14.062 646 2HE LYS 80 HE1 LYS 80 177.153 6.687 14.592 647 1HZ LYS 80 HZ1 LYS 80 179.300 7.909 13.078 648 2HZ LYS 80 HZ2 LYS 80 179.363 6.962 14.478 649 3HZ LYS 80 HZ3 LYS 80 179.001 8.611 14.590 650 H LEU 81 HN LEU 81 179.217 5.861 7.897 651 HA LEU 81 HA LEU 81 181.918 5.181 8.020 652 1HB LEU 81 HB2 LEU 81 180.253 4.166 6.496 653 2HB LEU 81 HB1 LEU 81 180.251 5.639 5.545 654 HG LEU 81 HG LEU 81 181.632 3.683 4.670 655 1HD1 LEU 81 HD11 LEU 81 183.487 5.952 4.925 656 2HD1 LEU 81 HD12 LEU 81 181.874 6.346 4.332 657 3HD1 LEU 81 HD13 LEU 81 182.857 5.150 3.487 658 1HD2 LEU 81 HD21 LEU 81 182.636 3.481 7.123 659 2HD2 LEU 81 HD22 LEU 81 183.831 4.585 6.442 660 3HD2 LEU 81 HD23 LEU 81 183.550 3.016 5.689 661 H GLU 82 HN GLU 82 180.353 8.098 6.851 662 HA GLU 82 HA GLU 82 182.452 9.217 5.398 663 1HB GLU 82 HB2 GLU 82 180.200 10.155 5.380 664 2HB GLU 82 HB1 GLU 82 180.353 10.609 7.071 665 1HG GLU 82 HG2 GLU 82 182.527 11.822 5.916 666 2HG GLU 82 HG1 GLU 82 181.284 11.965 4.673 667 H ARG 83 HN ARG 83 181.669 9.605 8.849 668 HA ARG 83 HA ARG 83 183.847 11.282 9.459 669 1HB ARG 83 HB2 ARG 83 181.658 10.453 10.821 670 2HB ARG 83 HB1 ARG 83 182.895 9.464 11.586 671 1HG ARG 83 HG2 ARG 83 182.496 11.567 12.781 672 2HG ARG 83 HG1 ARG 83 184.155 11.431 12.191 673 1HD ARG 83 HD2 ARG 83 183.899 13.109 10.676 674 2HD ARG 83 HD1 ARG 83 182.191 12.758 10.412 675 HE ARG 83 HE ARG 83 181.659 14.227 12.090 676 1HH1 ARG 83 HH11 ARG 83 185.078 13.541 12.215 677 2HH1 ARG 83 HH12 ARG 83 185.408 14.766 13.393 678 1HH2 ARG 83 HH21 ARG 83 182.091 15.837 13.641 679 2HH2 ARG 83 HH22 ARG 83 183.712 16.068 14.204 680 H GLN 84 HN GLN 84 183.467 7.771 9.552 681 HA GLN 84 HA GLN 84 185.882 7.124 10.799 682 1HB GLN 84 HB2 GLN 84 183.927 5.588 10.253 683 2HB GLN 84 HB1 GLN 84 184.587 5.483 8.626 684 1HG GLN 84 HG2 GLN 84 186.766 4.764 9.805 685 2HG GLN 84 HG1 GLN 84 185.723 4.457 11.192 686 1HE2 GLN 84 HE21 GLN 84 185.381 3.957 7.699 687 2HE2 GLN 84 HE22 GLN 84 184.987 2.279 7.802 688 H LEU 85 HN LEU 85 185.134 7.354 7.323 689 HA LEU 85 HA LEU 85 187.749 6.817 6.427 690 1HB LEU 85 HB2 LEU 85 185.445 6.932 5.162 691 2HB LEU 85 HB1 LEU 85 185.915 8.597 4.879 692 HG LEU 85 HG LEU 85 187.580 6.206 4.090 693 1HD1 LEU 85 HD11 LEU 85 185.447 6.328 2.858 694 2HD1 LEU 85 HD12 LEU 85 186.850 6.613 1.828 695 3HD1 LEU 85 HD13 LEU 85 185.856 7.969 2.358 696 1HD2 LEU 85 HD21 LEU 85 188.420 8.246 2.554 697 2HD2 LEU 85 HD22 LEU 85 189.152 7.828 4.102 698 3HD2 LEU 85 HD23 LEU 85 187.966 9.129 4.010 699 H ASN 86 HN ASN 86 186.187 9.731 7.532 700 HA ASN 86 HA ASN 86 187.932 11.648 6.483 701 1HB ASN 86 HB2 ASN 86 185.936 11.530 8.642 702 2HB ASN 86 HB1 ASN 86 187.203 12.728 8.893 703 1HD2 ASN 86 HD21 ASN 86 184.209 12.501 7.881 704 2HD2 ASN 86 HD22 ASN 86 184.177 13.691 6.631 705 H LYS 87 HN LYS 87 187.982 10.107 9.700 706 HA LYS 87 HA LYS 87 190.351 11.269 10.603 707 1HB LYS 87 HB2 LYS 87 189.045 10.205 12.234 708 2HB LYS 87 HB1 LYS 87 188.909 8.726 11.296 709 1HG LYS 87 HG2 LYS 87 190.363 8.558 13.313 710 2HG LYS 87 HG1 LYS 87 191.149 8.103 11.801 711 1HD LYS 87 HD2 LYS 87 191.934 10.583 11.767 712 2HD LYS 87 HD1 LYS 87 191.553 10.543 13.490 713 1HE LYS 87 HE2 LYS 87 193.226 8.369 12.320 714 2HE LYS 87 HE1 LYS 87 193.958 9.943 12.623 715 1HZ LYS 87 HZ1 LYS 87 192.388 8.765 14.784 716 2HZ LYS 87 HZ2 LYS 87 193.803 9.689 14.854 717 3HZ LYS 87 HZ3 LYS 87 193.883 8.050 14.444 718 H LEU 88 HN LEU 88 189.849 8.146 8.974 719 HA LEU 88 HA LEU 88 192.595 7.451 8.908 720 1HB LEU 88 HB2 LEU 88 190.145 6.264 8.178 721 2HB LEU 88 HB1 LEU 88 191.135 6.273 6.731 722 HG LEU 88 HG LEU 88 191.355 4.183 8.015 723 1HD1 LEU 88 HD11 LEU 88 193.998 4.643 8.422 724 2HD1 LEU 88 HD12 LEU 88 193.583 5.966 7.333 725 3HD1 LEU 88 HD13 LEU 88 193.270 4.298 6.853 726 1HD2 LEU 88 HD21 LEU 88 191.314 5.811 10.228 727 2HD2 LEU 88 HD22 LEU 88 193.008 5.330 10.125 728 3HD2 LEU 88 HD23 LEU 88 191.747 4.101 10.213 729 H GLN 89 HN GLN 89 190.835 9.753 7.159 730 HA GLN 89 HA GLN 89 192.317 9.603 4.708 731 1HB GLN 89 HB2 GLN 89 190.028 11.004 5.679 732 2HB GLN 89 HB1 GLN 89 191.164 12.186 5.045 733 1HG GLN 89 HG2 GLN 89 190.890 9.906 3.285 734 2HG GLN 89 HG1 GLN 89 189.344 10.691 3.598 735 1HE2 GLN 89 HE21 GLN 89 192.269 10.818 1.899 736 2HE2 GLN 89 HE22 GLN 89 192.052 12.364 1.157 737 H HIS 90 HN HIS 90 192.212 12.018 7.336 738 HA HIS 90 HA HIS 90 194.457 13.468 6.439 739 1HB HIS 90 HB2 HIS 90 193.204 13.267 9.185 740 2HB HIS 90 HB1 HIS 90 194.463 14.422 8.759 741 HD1 HIS 90 HD1 HIS 90 193.628 16.629 8.027 742 HD2 HIS 90 HD2 HIS 90 190.813 13.634 7.418 743 HE1 HIS 90 HE1 HIS 90 191.577 17.800 7.162 744 HE2 HIS 90 HE2 HIS 90 189.858 15.979 6.886 745 H LYS 91 HN LYS 91 196.082 11.942 5.973 746 HA LYS 91 HA LYS 91 197.960 10.728 6.383 747 1HB LYS 91 HB2 LYS 91 198.167 12.801 8.015 748 2HB LYS 91 HB1 LYS 91 197.975 11.564 9.250 749 1HG LYS 91 HG2 LYS 91 199.872 10.403 7.757 750 2HG LYS 91 HG1 LYS 91 200.235 12.100 7.433 751 1HD LYS 91 HD2 LYS 91 201.500 11.784 9.311 752 2HD LYS 91 HD1 LYS 91 199.982 12.287 10.057 753 1HE LYS 91 HE2 LYS 91 200.449 9.391 9.527 754 2HE LYS 91 HE1 LYS 91 201.259 10.150 10.896 755 1HZ LYS 91 HZ1 LYS 91 199.257 9.319 11.735 756 2HZ LYS 91 HZ2 LYS 91 198.354 9.873 10.417 757 3HZ LYS 91 HZ3 LYS 91 198.972 10.976 11.541 758 H GLY 92 HN GLY 92 196.086 9.031 6.264 759 1HA GLY 92 HA2 GLY 92 195.325 7.656 8.617 760 2HA GLY 92 HA1 GLY 92 195.234 7.023 6.981 761 H GLU 93 HN GLU 93 197.435 7.542 9.700 762 HA GLU 93 HA GLU 93 199.233 6.370 10.450 763 1HB GLU 93 HB2 GLU 93 198.255 4.056 8.786 764 2HB GLU 93 HB1 GLU 93 199.178 4.003 10.282 765 1HG GLU 93 HG2 GLU 93 196.745 5.397 10.766 766 2HG GLU 93 HG1 GLU 93 196.378 3.887 9.933 767 H ALA 94 HN ALA 94 201.136 7.037 9.717 768 HA ALA 94 HA ALA 94 201.824 6.663 6.900 769 1HB ALA 94 HB1 ALA 94 203.544 8.277 7.228 770 2HB ALA 94 HB2 ALA 94 203.384 8.180 8.981 771 3HB ALA 94 HB3 ALA 94 202.091 8.891 8.016 772 H ARG 95 HN ARG 95 201.763 4.341 8.537 773 HA ARG 95 HA ARG 95 202.981 2.480 9.004 774 1HB ARG 95 HB2 ARG 95 205.243 3.645 7.401 775 2HB ARG 95 HB1 ARG 95 204.790 1.958 7.591 776 1HG ARG 95 HG2 ARG 95 203.542 2.045 5.767 777 2HG ARG 95 HG1 ARG 95 202.608 3.389 6.426 778 1HD ARG 95 HD2 ARG 95 203.812 4.953 5.300 779 2HD ARG 95 HD1 ARG 95 205.305 4.019 5.384 780 HE ARG 95 HE ARG 95 204.765 3.019 3.386 781 1HH1 ARG 95 HH11 ARG 95 201.986 4.755 4.594 782 2HH1 ARG 95 HH12 ARG 95 201.092 4.594 3.122 783 1HH2 ARG 95 HH21 ARG 95 203.586 2.809 1.449 784 2HH2 ARG 95 HH22 ARG 95 201.999 3.489 1.336 785 H ARG 96 HN ARG 96 203.296 2.743 11.188 786 HA ARG 96 HA ARG 96 205.266 4.457 12.305 787 1HB ARG 96 HB2 ARG 96 203.732 2.124 13.453 788 2HB ARG 96 HB1 ARG 96 204.835 3.111 14.399 789 1HG ARG 96 HG2 ARG 96 202.467 4.223 12.919 790 2HG ARG 96 HG1 ARG 96 202.419 3.711 14.607 791 1HD ARG 96 HD2 ARG 96 203.715 5.457 15.317 792 2HD ARG 96 HD1 ARG 96 204.554 5.604 13.772 793 HE ARG 96 HE ARG 96 202.271 7.050 14.587 794 1HH1 ARG 96 HH11 ARG 96 203.627 5.468 11.788 795 2HH1 ARG 96 HH12 ARG 96 202.809 6.492 10.656 796 1HH2 ARG 96 HH21 ARG 96 201.193 8.398 13.101 797 2HH2 ARG 96 HH22 ARG 96 201.428 8.157 11.401 798 H ALA 97 HN ALA 97 207.073 3.654 13.691 799 HA ALA 97 HA ALA 97 208.359 1.282 12.504 800 1HB ALA 97 HB1 ALA 97 209.852 2.696 11.629 801 2HB ALA 97 HB2 ALA 97 210.462 2.873 13.273 802 3HB ALA 97 HB3 ALA 97 209.302 4.038 12.631 803 H ALA 98 HN ALA 98 209.406 -0.089 13.875 804 HA ALA 98 HA ALA 98 209.489 0.646 16.725 805 1HB ALA 98 HB1 ALA 98 207.569 -0.877 16.147 806 2HB ALA 98 HB2 ALA 98 208.672 -1.482 17.383 807 3HB ALA 98 HB3 ALA 98 208.768 -2.104 15.737 808 H THR 99 HN THR 99 210.654 -1.589 17.754 809 HA THR 99 HA THR 99 213.370 -1.216 17.160 810 HB THR 99 HB THR 99 212.811 -2.027 19.319 811 HG1 THR 99 HG1 THR 99 214.696 -2.995 18.236 812 1HG2 THR 99 HG21 THR 99 211.958 -4.520 19.396 813 2HG2 THR 99 HG22 THR 99 211.214 -4.054 17.866 814 3HG2 THR 99 HG23 THR 99 210.843 -3.153 19.336 815 H SER 100 HN SER 100 214.821 -2.321 15.918 816 HA SER 100 HA SER 100 213.775 -3.807 13.705 817 1HB SER 100 HB2 SER 100 215.912 -2.211 13.936 818 2HB SER 100 HB1 SER 100 216.705 -3.759 14.229 819 HG SER 100 HG SER 100 216.332 -4.351 12.216 820 H VAL 101 HN VAL 101 212.829 -5.605 14.833 821 HA VAL 101 HA VAL 101 214.713 -7.482 16.043 822 HB VAL 101 HB VAL 101 212.772 -7.164 17.384 823 1HG1 VAL 101 HG11 VAL 101 211.395 -6.557 15.174 824 2HG1 VAL 101 HG12 VAL 101 210.628 -7.007 16.693 825 3HG1 VAL 101 HG13 VAL 101 210.830 -8.209 15.419 826 1HG2 VAL 101 HG21 VAL 101 213.635 -9.613 16.610 827 2HG2 VAL 101 HG22 VAL 101 211.911 -9.735 16.259 828 3HG2 VAL 101 HG23 VAL 101 212.453 -9.328 17.887 829 H LYS 102 HN LYS 102 212.006 -7.700 13.701 830 HA LYS 102 HA LYS 102 213.226 -10.091 12.572 831 1HB LYS 102 HB2 LYS 102 210.556 -8.756 12.160 832 2HB LYS 102 HB1 LYS 102 211.094 -10.124 11.197 833 1HG LYS 102 HG2 LYS 102 211.246 -11.503 13.184 834 2HG LYS 102 HG1 LYS 102 210.790 -10.128 14.192 835 1HD LYS 102 HD2 LYS 102 208.808 -11.359 13.921 836 2HD LYS 102 HD1 LYS 102 208.664 -10.018 12.783 837 1HE LYS 102 HE2 LYS 102 208.017 -11.801 11.476 838 2HE LYS 102 HE1 LYS 102 209.739 -11.699 11.104 839 1HZ LYS 102 HZ1 LYS 102 209.762 -13.351 13.197 840 2HZ LYS 102 HZ2 LYS 102 209.678 -13.877 11.592 841 3HZ LYS 102 HZ3 LYS 102 208.266 -13.759 12.515 842 H ASP 103 HN ASP 103 214.568 -7.574 12.144 843 HA ASP 103 HA ASP 103 214.363 -7.437 9.213 844 1HB ASP 103 HB2 ASP 103 213.668 -5.373 10.917 845 2HB ASP 103 HB1 ASP 103 215.317 -4.967 10.454 846 H ALA 104 HN ALA 104 216.159 -8.901 11.114 847 HA ALA 104 HA ALA 104 218.736 -7.619 10.718 848 1HB ALA 104 HB1 ALA 104 217.898 -8.998 12.786 849 2HB ALA 104 HB2 ALA 104 219.586 -9.069 12.274 850 3HB ALA 104 HB3 ALA 104 218.474 -10.366 11.834 851 H ASN 105 HN ASN 105 216.875 -9.107 8.612 852 HA ASN 105 HA ASN 105 218.810 -11.011 7.561 853 1HB ASN 105 HB2 ASN 105 216.185 -10.248 6.289 854 2HB ASN 105 HB1 ASN 105 217.109 -11.729 6.074 855 1HD2 ASN 105 HD21 ASN 105 216.947 -13.356 7.574 856 2HD2 ASN 105 HD22 ASN 105 215.764 -13.362 8.832 857 H PHE 106 HN PHE 106 218.849 -7.853 7.525 858 HA PHE 106 HA PHE 106 218.998 -7.255 4.724 859 1HB PHE 106 HB2 PHE 106 219.245 -5.788 7.273 860 2HB PHE 106 HB1 PHE 106 220.213 -5.140 5.958 861 HD1 PHE 106 HD1 PHE 106 216.808 -5.854 7.113 862 HD2 PHE 106 HD2 PHE 106 219.195 -4.092 4.062 863 HE1 PHE 106 HE1 PHE 106 214.815 -4.730 6.210 864 HE2 PHE 106 HE2 PHE 106 217.207 -2.963 3.153 865 HZ PHE 106 HZ PHE 106 215.013 -3.280 4.228 866 H VAL 107 HN VAL 107 221.467 -5.546 5.080 867 HA VAL 107 HA VAL 107 223.338 -7.385 4.050 868 HB VAL 107 HB VAL 107 224.031 -4.711 5.265 869 1HG1 VAL 107 HG11 VAL 107 225.592 -4.919 3.118 870 2HG1 VAL 107 HG12 VAL 107 225.363 -6.635 3.450 871 3HG1 VAL 107 HG13 VAL 107 226.047 -5.581 4.688 872 1HG2 VAL 107 HG21 VAL 107 222.574 -3.815 3.822 873 2HG2 VAL 107 HG22 VAL 107 222.392 -5.322 2.925 874 3HG2 VAL 107 HG23 VAL 107 223.749 -4.250 2.580 875 H GLU 108 HN GLU 108 225.403 -7.980 4.946 876 HA GLU 108 HA GLU 108 225.191 -9.123 7.499 877 1HB GLU 108 HB2 GLU 108 227.676 -8.618 5.853 878 2HB GLU 108 HB1 GLU 108 227.560 -9.721 7.218 879 1HG GLU 108 HG2 GLU 108 225.582 -10.183 5.109 880 2HG GLU 108 HG1 GLU 108 227.258 -10.423 4.617 881 H GLU 109 HN GLU 109 228.262 -7.933 7.682 882 HA GLU 109 HA GLU 109 227.595 -6.259 9.915 883 1HB GLU 109 HB2 GLU 109 229.677 -7.848 9.469 884 2HB GLU 109 HB1 GLU 109 230.363 -6.366 8.819 885 1HG GLU 109 HG2 GLU 109 229.366 -5.476 11.171 886 2HG GLU 109 HG1 GLU 109 229.799 -7.132 11.592 887 H VAL 110 HN VAL 110 227.523 -4.105 10.023 888 HA VAL 110 HA VAL 110 228.803 -2.429 8.052 889 HB VAL 110 HB VAL 110 225.794 -2.322 8.317 890 1HG1 VAL 110 HG11 VAL 110 227.820 -0.543 7.126 891 2HG1 VAL 110 HG12 VAL 110 226.213 -0.178 7.754 892 3HG1 VAL 110 HG13 VAL 110 226.393 -0.854 6.136 893 1HG2 VAL 110 HG21 VAL 110 227.541 -3.361 6.092 894 2HG2 VAL 110 HG22 VAL 110 225.824 -3.002 5.909 895 3HG2 VAL 110 HG23 VAL 110 226.348 -4.259 7.031 896 H GLU 111 HN GLU 111 229.884 -1.778 10.000 897 HA GLU 111 HA GLU 111 228.309 -0.414 12.022 898 1HB GLU 111 HB2 GLU 111 230.312 -1.903 12.523 899 2HB GLU 111 HB1 GLU 111 231.314 -0.602 11.895 900 1HG GLU 111 HG2 GLU 111 231.150 -0.587 14.343 901 2HG GLU 111 HG1 GLU 111 230.530 0.893 13.611 902 H GLU 112 HN GLU 112 229.743 0.392 9.105 903 HA GLU 112 HA GLU 112 229.519 3.233 9.744 904 1HB GLU 112 HB2 GLU 112 231.776 2.695 7.958 905 2HB GLU 112 HB1 GLU 112 231.660 3.791 9.324 906 1HG GLU 112 HG2 GLU 112 233.287 2.333 10.020 907 2HG GLU 112 HG1 GLU 112 231.845 1.625 10.745 908 H GLU 113 HN GLU 113 227.511 2.776 8.549 909 HA GLU 113 HA GLU 113 227.687 2.152 5.749 910 1HB GLU 113 HB2 GLU 113 225.724 1.734 7.427 911 2HB GLU 113 HB1 GLU 113 225.267 3.382 7.018 912 1HG GLU 113 HG2 GLU 113 225.544 2.460 4.556 913 2HG GLU 113 HG1 GLU 113 225.210 0.928 5.359
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