NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
17998 | 2dba | 11122 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 10.730 -21.828 -13.671 2 HA2 GLY 1 1HA GLY 1 12.657 -20.279 -15.123 3 HA3 GLY 1 2HA GLY 1 11.018 -20.003 -15.695 4 H SER 2 H SER 2 12.816 -18.117 -14.422 5 HA SER 2 HA SER 2 10.980 -16.995 -12.548 6 HB2 SER 2 1HB SER 2 12.243 -17.112 -10.543 7 HB3 SER 2 2HB SER 2 12.251 -18.751 -11.192 8 HG SER 2 HG SER 2 14.324 -16.873 -11.053 9 H SER 3 H SER 3 11.880 -14.933 -11.591 10 HA SER 3 HA SER 3 14.080 -13.769 -13.107 11 HB2 SER 3 1HB SER 3 11.764 -13.416 -14.272 12 HB3 SER 3 2HB SER 3 11.509 -12.224 -12.997 13 HG SER 3 HG SER 3 13.917 -12.153 -14.415 14 H GLY 4 H GLY 4 14.502 -11.464 -12.328 15 HA2 GLY 4 1HA GLY 4 13.520 -10.521 -9.876 16 HA3 GLY 4 2HA GLY 4 14.933 -11.512 -9.548 17 H SER 5 H SER 5 15.680 -9.384 -8.680 18 HA SER 5 HA SER 5 17.512 -8.207 -10.506 19 HB2 SER 5 1HB SER 5 16.636 -5.899 -10.443 20 HB3 SER 5 2HB SER 5 15.517 -6.997 -11.252 21 HG SER 5 HG SER 5 14.331 -5.771 -9.836 22 H SER 6 H SER 6 19.063 -6.920 -9.477 23 HA SER 6 HA SER 6 18.754 -6.360 -6.638 24 HB2 SER 6 1HB SER 6 20.944 -8.154 -7.712 25 HB3 SER 6 2HB SER 6 20.894 -7.497 -6.076 26 HG SER 6 HG SER 6 18.620 -8.568 -6.234 27 H GLY 7 H GLY 7 20.049 -4.700 -5.901 28 HA2 GLY 7 1HA GLY 7 22.371 -3.698 -6.986 29 HA3 GLY 7 2HA GLY 7 21.079 -2.932 -7.898 30 H MET 8 H MET 8 19.659 -1.497 -6.842 31 HA MET 8 HA MET 8 19.429 0.386 -5.537 32 HB2 MET 8 1HB MET 8 18.759 -0.154 -3.275 33 HB3 MET 8 2HB MET 8 18.147 -1.384 -4.371 34 HG2 MET 8 1HG MET 8 19.924 -2.893 -3.717 35 HG3 MET 8 2HG MET 8 20.615 -1.654 -2.672 36 HE1 MET 8 1HE MET 8 20.645 -2.334 -0.462 37 HE2 MET 8 2HE MET 8 19.517 -1.003 -0.203 38 HE3 MET 8 3HE MET 8 19.237 -2.560 0.577 39 H THR 9 H THR 9 22.147 -0.044 -6.217 40 HA THR 9 HA THR 9 23.639 0.535 -3.770 41 HB THR 9 HB THR 9 25.642 0.467 -5.321 42 HG1 THR 9 1HG THR 9 24.106 0.735 -7.224 43 HG21 THR 9 1HG2 THR 9 24.167 -2.122 -5.535 44 HG22 THR 9 2HG2 THR 9 24.560 -1.483 -3.939 45 HG23 THR 9 3HG2 THR 9 25.848 -1.819 -5.096 46 H VAL 10 H VAL 10 21.730 2.431 -5.072 47 HA VAL 10 HA VAL 10 23.588 4.606 -5.765 48 HB VAL 10 HB VAL 10 20.609 4.457 -6.249 49 HG11 VAL 10 1HG1 VAL 10 21.334 6.739 -6.003 50 HG12 VAL 10 2HG1 VAL 10 22.685 6.469 -7.106 51 HG13 VAL 10 3HG1 VAL 10 21.029 6.417 -7.709 52 HG21 VAL 10 1HG2 VAL 10 21.049 3.281 -8.079 53 HG22 VAL 10 2HG2 VAL 10 22.122 4.558 -8.651 54 HG23 VAL 10 3HG2 VAL 10 22.761 3.251 -7.655 55 H SER 11 H SER 11 23.387 6.635 -4.782 56 HA SER 11 HA SER 11 21.721 6.719 -2.356 57 HB2 SER 11 1HB SER 11 24.553 7.767 -2.580 58 HB3 SER 11 2HB SER 11 23.529 7.819 -1.145 59 HG SER 11 HG SER 11 25.167 5.904 -1.845 60 H GLY 12 H GLY 12 20.492 8.483 -2.165 61 HA2 GLY 12 1HA GLY 12 21.121 11.097 -2.720 62 HA3 GLY 12 2HA GLY 12 20.502 10.460 -4.237 63 HA PRO 13 HA PRO 13 17.105 11.571 -1.000 64 HB2 PRO 13 1HB PRO 13 16.721 14.211 -1.503 65 HB3 PRO 13 2HB PRO 13 17.826 13.622 -0.256 66 HG2 PRO 13 1HG PRO 13 18.431 14.563 -3.032 67 HG3 PRO 13 2HG PRO 13 19.292 14.910 -1.521 68 HD2 PRO 13 1HD PRO 13 20.156 13.058 -3.298 69 HD3 PRO 13 2HD PRO 13 20.410 12.894 -1.548 70 H GLY 14 H GLY 14 17.576 13.168 -4.159 71 HA2 GLY 14 1HA GLY 14 16.165 12.166 -5.982 72 HA3 GLY 14 2HA GLY 14 14.825 12.347 -4.860 73 H THR 15 H THR 15 13.950 13.537 -6.769 74 HA THR 15 HA THR 15 14.034 16.320 -6.293 75 HB THR 15 HB THR 15 16.189 16.170 -7.476 76 HG1 THR 15 1HG THR 15 15.353 17.590 -9.360 77 HG21 THR 15 1HG2 THR 15 15.231 14.185 -8.923 78 HG22 THR 15 2HG2 THR 15 16.476 15.256 -9.566 79 HG23 THR 15 3HG2 THR 15 14.788 15.493 -10.020 80 HA PRO 16 HA PRO 16 10.122 15.830 -8.263 81 HB2 PRO 16 1HB PRO 16 9.516 18.451 -8.627 82 HB3 PRO 16 2HB PRO 16 9.455 17.662 -7.047 83 HG2 PRO 16 1HG PRO 16 11.601 19.387 -8.221 84 HG3 PRO 16 2HG PRO 16 10.934 19.394 -6.578 85 HD2 PRO 16 1HD PRO 16 13.287 18.202 -7.190 86 HD3 PRO 16 2HD PRO 16 12.210 17.592 -5.917 87 H GLU 17 H GLU 17 8.925 16.684 -10.238 88 HA GLU 17 HA GLU 17 10.476 17.749 -12.397 89 HB2 GLU 17 1HB GLU 17 10.243 15.758 -13.871 90 HB3 GLU 17 2HB GLU 17 11.337 15.504 -12.518 91 HG2 GLU 17 1HG GLU 17 9.915 14.045 -11.460 92 HG3 GLU 17 2HG GLU 17 8.482 14.699 -12.251 93 HA PRO 18 HA PRO 18 6.441 18.953 -13.664 94 HB2 PRO 18 1HB PRO 18 6.936 19.513 -16.274 95 HB3 PRO 18 2HB PRO 18 7.480 20.549 -14.949 96 HG2 PRO 18 1HG PRO 18 9.010 18.495 -16.498 97 HG3 PRO 18 2HG PRO 18 9.515 20.117 -15.987 98 HD2 PRO 18 1HD PRO 18 10.266 17.874 -14.668 99 HD3 PRO 18 2HD PRO 18 10.007 19.424 -13.844 100 H ARG 19 H ARG 19 4.739 18.444 -15.261 101 HA ARG 19 HA ARG 19 5.049 15.930 -16.698 102 HB2 ARG 19 1HB ARG 19 3.099 14.905 -15.658 103 HB3 ARG 19 2HB ARG 19 4.323 15.259 -14.447 104 HG2 ARG 19 1HG ARG 19 2.064 17.153 -14.973 105 HG3 ARG 19 2HG ARG 19 1.880 15.772 -13.890 106 HD2 ARG 19 1HD ARG 19 3.891 16.604 -12.644 107 HD3 ARG 19 2HD ARG 19 3.825 18.059 -13.637 108 HE ARG 19 HE ARG 19 1.327 17.879 -12.591 109 HH11 ARG 19 2HH1 ARG 19 4.529 17.884 -11.226 110 HH12 ARG 19 1HH1 ARG 19 4.035 18.621 -9.737 111 HH21 ARG 19 2HH2 ARG 19 0.664 18.850 -10.636 112 HH22 ARG 19 1HH2 ARG 19 1.836 19.169 -9.403 113 HA PRO 20 HA PRO 20 2.476 18.013 -19.597 114 HB2 PRO 20 1HB PRO 20 1.562 15.871 -20.991 115 HB3 PRO 20 2HB PRO 20 3.217 16.474 -21.135 116 HG2 PRO 20 1HG PRO 20 2.172 14.173 -19.530 117 HG3 PRO 20 2HG PRO 20 3.640 14.272 -20.519 118 HD2 PRO 20 1HD PRO 20 3.681 14.520 -17.823 119 HD3 PRO 20 2HD PRO 20 4.823 15.377 -18.878 120 H ALA 21 H ALA 21 0.267 18.281 -20.241 121 HA ALA 21 HA ALA 21 -1.660 17.058 -18.373 122 HB1 ALA 21 1HB ALA 21 -2.188 19.103 -17.700 123 HB2 ALA 21 2HB ALA 21 -1.074 19.813 -18.869 124 HB3 ALA 21 3HB ALA 21 -2.740 19.471 -19.334 125 H THR 22 H THR 22 -2.152 15.384 -19.842 126 HA THR 22 HA THR 22 -4.254 15.988 -21.657 127 HB THR 22 HB THR 22 -2.415 16.641 -23.129 128 HG1 THR 22 1HG THR 22 -3.190 15.519 -24.828 129 HG21 THR 22 1HG2 THR 22 -0.772 15.040 -21.974 130 HG22 THR 22 2HG2 THR 22 -0.630 15.241 -23.721 131 HG23 THR 22 3HG2 THR 22 -1.417 13.808 -23.058 132 HA PRO 23 HA PRO 23 -5.179 11.820 -20.567 133 HB2 PRO 23 1HB PRO 23 -7.089 11.320 -22.431 134 HB3 PRO 23 2HB PRO 23 -7.368 12.350 -21.022 135 HG2 PRO 23 1HG PRO 23 -6.731 13.128 -23.842 136 HG3 PRO 23 2HG PRO 23 -7.913 13.836 -22.726 137 HD2 PRO 23 1HD PRO 23 -5.492 14.957 -23.186 138 HD3 PRO 23 2HD PRO 23 -6.315 15.072 -21.617 139 H GLY 24 H GLY 24 -5.038 9.649 -21.363 140 HA2 GLY 24 1HA GLY 24 -4.503 8.020 -22.993 141 HA3 GLY 24 2HA GLY 24 -3.889 9.297 -24.032 142 H ALA 25 H ALA 25 -2.153 10.579 -22.277 143 HA ALA 25 HA ALA 25 0.198 9.171 -22.585 144 HB1 ALA 25 1HB ALA 25 -0.099 11.624 -22.027 145 HB2 ALA 25 2HB ALA 25 -0.245 11.123 -20.341 146 HB3 ALA 25 3HB ALA 25 1.242 10.797 -21.233 147 H SER 26 H SER 26 0.136 7.052 -21.917 148 HA SER 26 HA SER 26 -0.666 6.356 -19.234 149 HB2 SER 26 1HB SER 26 0.233 4.857 -21.655 150 HB3 SER 26 2HB SER 26 0.384 4.070 -20.085 151 HG SER 26 HG SER 26 -1.810 4.427 -21.583 152 H SER 27 H SER 27 1.274 8.166 -18.923 153 HA SER 27 HA SER 27 3.778 6.719 -18.459 154 HB2 SER 27 1HB SER 27 3.073 9.643 -18.589 155 HB3 SER 27 2HB SER 27 4.598 9.101 -17.890 156 HG SER 27 HG SER 27 4.644 7.841 -20.041 157 H VAL 28 H VAL 28 4.288 6.004 -16.505 158 HA VAL 28 HA VAL 28 2.787 5.845 -14.305 159 HB VAL 28 HB VAL 28 4.933 4.774 -14.347 160 HG11 VAL 28 1HG1 VAL 28 6.902 5.779 -14.748 161 HG12 VAL 28 2HG1 VAL 28 5.905 7.108 -15.344 162 HG13 VAL 28 3HG1 VAL 28 6.534 7.145 -13.696 163 HG21 VAL 28 1HG2 VAL 28 4.994 4.743 -12.126 164 HG22 VAL 28 2HG2 VAL 28 5.657 6.377 -12.072 165 HG23 VAL 28 3HG2 VAL 28 3.911 6.135 -12.123 166 H GLU 29 H GLU 29 4.742 8.660 -15.164 167 HA GLU 29 HA GLU 29 4.408 10.138 -12.818 168 HB2 GLU 29 1HB GLU 29 5.317 11.919 -13.965 169 HB3 GLU 29 2HB GLU 29 5.865 10.573 -14.954 170 HG2 GLU 29 1HG GLU 29 3.971 10.960 -16.481 171 HG3 GLU 29 2HG GLU 29 3.508 12.358 -15.512 172 H GLN 30 H GLN 30 2.442 10.081 -15.775 173 HA GLN 30 HA GLN 30 0.462 11.823 -14.544 174 HB2 GLN 30 1HB GLN 30 0.957 12.292 -16.844 175 HB3 GLN 30 2HB GLN 30 0.687 10.615 -17.300 176 HG2 GLN 30 1HG GLN 30 -1.690 10.870 -16.679 177 HG3 GLN 30 2HG GLN 30 -1.388 12.575 -16.348 178 HE21 GLN 30 1HE2 GLN 30 -2.716 10.637 -18.520 179 HE22 GLN 30 2HE2 GLN 30 -2.417 11.518 -19.976 180 H LEU 31 H LEU 31 0.181 8.782 -16.385 181 HA LEU 31 HA LEU 31 -2.268 7.936 -15.774 182 HB2 LEU 31 1HB LEU 31 -1.617 5.811 -16.277 183 HB3 LEU 31 2HB LEU 31 -0.235 6.714 -16.896 184 HG LEU 31 HG LEU 31 0.847 6.219 -14.615 185 HD11 LEU 31 1HD1 LEU 31 -0.330 5.072 -13.130 186 HD12 LEU 31 2HD1 LEU 31 -0.421 3.718 -14.255 187 HD13 LEU 31 3HD1 LEU 31 -1.678 4.955 -14.261 188 HD21 LEU 31 1HD2 LEU 31 1.976 4.518 -15.597 189 HD22 LEU 31 2HD2 LEU 31 1.086 5.072 -17.016 190 HD23 LEU 31 3HD2 LEU 31 0.506 3.682 -16.097 191 H ARG 32 H ARG 32 0.478 7.747 -13.548 192 HA ARG 32 HA ARG 32 -0.385 6.299 -11.471 193 HB2 ARG 32 1HB ARG 32 1.650 7.326 -11.080 194 HB3 ARG 32 2HB ARG 32 1.061 8.912 -11.559 195 HG2 ARG 32 1HG ARG 32 -0.292 8.960 -9.464 196 HG3 ARG 32 2HG ARG 32 0.516 7.468 -8.978 197 HD2 ARG 32 1HD ARG 32 2.680 8.597 -9.100 198 HD3 ARG 32 2HD ARG 32 1.879 10.085 -9.603 199 HE ARG 32 HE ARG 32 0.680 9.487 -7.248 200 HH11 ARG 32 2HH1 ARG 32 3.998 9.837 -8.242 201 HH12 ARG 32 1HH1 ARG 32 4.541 10.391 -6.693 202 HH21 ARG 32 2HH2 ARG 32 1.382 10.215 -5.203 203 HH22 ARG 32 1HH2 ARG 32 3.052 10.605 -4.965 204 H LYS 33 H LYS 33 -1.400 9.658 -12.055 205 HA LYS 33 HA LYS 33 -3.012 10.108 -9.896 206 HB2 LYS 33 1HB LYS 33 -3.083 11.007 -12.732 207 HB3 LYS 33 2HB LYS 33 -4.500 11.334 -11.743 208 HG2 LYS 33 1HG LYS 33 -3.319 13.244 -11.382 209 HG3 LYS 33 2HG LYS 33 -2.693 12.254 -10.061 210 HD2 LYS 33 1HD LYS 33 -1.303 12.121 -12.686 211 HD3 LYS 33 2HD LYS 33 -1.089 13.576 -11.709 212 HE2 LYS 33 1HE LYS 33 -0.710 10.821 -10.571 213 HE3 LYS 33 2HE LYS 33 0.594 11.676 -11.394 214 HZ1 LYS 33 1HZ LYS 33 0.314 13.499 -9.797 215 HZ2 LYS 33 2HZ LYS 33 0.731 12.047 -9.037 216 HZ3 LYS 33 3HZ LYS 33 -0.866 12.603 -8.980 217 H GLU 34 H GLU 34 -3.886 8.388 -12.872 218 HA GLU 34 HA GLU 34 -6.547 7.964 -12.568 219 HB2 GLU 34 1HB GLU 34 -5.426 7.061 -14.473 220 HB3 GLU 34 2HB GLU 34 -4.424 6.021 -13.470 221 HG2 GLU 34 1HG GLU 34 -6.090 4.493 -13.139 222 HG3 GLU 34 2HG GLU 34 -7.374 5.680 -13.363 223 H GLY 35 H GLY 35 -3.964 6.170 -10.924 224 HA2 GLY 35 1HA GLY 35 -5.542 4.282 -9.608 225 HA3 GLY 35 2HA GLY 35 -3.991 4.874 -9.031 226 H ASN 36 H ASN 36 -4.188 7.223 -8.109 227 HA ASN 36 HA ASN 36 -5.655 7.097 -5.761 228 HB2 ASN 36 1HB ASN 36 -4.739 9.610 -7.177 229 HB3 ASN 36 2HB ASN 36 -5.122 9.460 -5.465 230 HD21 ASN 36 1HD2 ASN 36 -2.891 8.512 -7.989 231 HD22 ASN 36 2HD2 ASN 36 -1.573 8.124 -6.942 232 H GLU 37 H GLU 37 -6.437 8.794 -8.782 233 HA GLU 37 HA GLU 37 -8.757 10.076 -8.031 234 HB2 GLU 37 1HB GLU 37 -7.895 8.853 -10.637 235 HB3 GLU 37 2HB GLU 37 -9.462 9.634 -10.482 236 HG2 GLU 37 1HG GLU 37 -8.067 11.616 -9.529 237 HG3 GLU 37 2HG GLU 37 -6.733 10.824 -10.366 238 H LEU 38 H LEU 38 -8.335 6.714 -9.039 239 HA LEU 38 HA LEU 38 -11.123 6.093 -8.950 240 HB2 LEU 38 1HB LEU 38 -8.623 4.439 -9.097 241 HB3 LEU 38 2HB LEU 38 -10.215 3.699 -8.946 242 HG LEU 38 HG LEU 38 -9.641 5.613 -11.177 243 HD11 LEU 38 1HD1 LEU 38 -9.267 3.304 -12.427 244 HD12 LEU 38 2HD1 LEU 38 -8.625 2.847 -10.849 245 HD13 LEU 38 3HD1 LEU 38 -7.933 4.216 -11.720 246 HD21 LEU 38 1HD2 LEU 38 -11.259 3.316 -11.775 247 HD22 LEU 38 2HD2 LEU 38 -11.676 5.028 -11.844 248 HD23 LEU 38 3HD2 LEU 38 -11.865 4.133 -10.335 249 H PHE 39 H PHE 39 -8.487 6.022 -6.667 250 HA PHE 39 HA PHE 39 -9.734 4.362 -4.731 251 HB2 PHE 39 1HB PHE 39 -7.246 5.008 -4.938 252 HB3 PHE 39 2HB PHE 39 -7.697 6.481 -4.085 253 HD1 PHE 39 1HD PHE 39 -7.690 2.787 -3.826 254 HD2 PHE 39 2HD PHE 39 -7.926 6.501 -1.758 255 HE1 PHE 39 1HE PHE 39 -7.478 1.602 -1.680 256 HE2 PHE 39 2HE PHE 39 -7.712 5.322 0.390 257 HZ PHE 39 HZ PHE 39 -7.487 2.870 0.432 258 H LYS 40 H LYS 40 -9.408 7.891 -5.023 259 HA LYS 40 HA LYS 40 -10.833 8.557 -2.700 260 HB2 LYS 40 1HB LYS 40 -11.144 10.781 -3.806 261 HB3 LYS 40 2HB LYS 40 -9.478 10.219 -3.771 262 HG2 LYS 40 1HG LYS 40 -9.905 9.346 -6.130 263 HG3 LYS 40 2HG LYS 40 -11.362 10.342 -6.100 264 HD2 LYS 40 1HD LYS 40 -9.662 11.649 -7.119 265 HD3 LYS 40 2HD LYS 40 -9.881 12.288 -5.488 266 HE2 LYS 40 1HE LYS 40 -7.931 11.054 -4.723 267 HE3 LYS 40 2HE LYS 40 -7.730 10.345 -6.324 268 HZ1 LYS 40 1HZ LYS 40 -6.364 12.429 -5.623 269 HZ2 LYS 40 2HZ LYS 40 -7.766 13.268 -6.060 270 HZ3 LYS 40 3HZ LYS 40 -6.970 12.301 -7.198 271 H CYS 41 H CYS 41 -11.923 7.072 -5.486 272 HA CYS 41 HA CYS 41 -14.656 8.102 -5.165 273 HB2 CYS 41 1HB CYS 41 -13.736 8.217 -7.441 274 HB3 CYS 41 2HB CYS 41 -13.451 6.481 -7.418 275 HG CYS 41 HG CYS 41 -15.621 6.389 -8.892 276 H GLY 42 H GLY 42 -12.659 5.349 -4.663 277 HA2 GLY 42 1HA GLY 42 -13.511 3.711 -3.052 278 HA3 GLY 42 2HA GLY 42 -15.052 3.797 -3.893 279 H ASP 43 H ASP 43 -13.721 3.816 -6.535 280 HA ASP 43 HA ASP 43 -13.830 1.086 -7.100 281 HB2 ASP 43 1HB ASP 43 -12.534 3.355 -8.619 282 HB3 ASP 43 2HB ASP 43 -12.705 1.725 -9.264 283 H TYR 44 H TYR 44 -12.535 -0.150 -5.782 284 HA TYR 44 HA TYR 44 -9.728 0.411 -5.477 285 HB2 TYR 44 1HB TYR 44 -11.206 -2.113 -4.717 286 HB3 TYR 44 2HB TYR 44 -9.660 -1.553 -4.089 287 HD1 TYR 44 1HD TYR 44 -10.042 1.164 -3.341 288 HD2 TYR 44 2HD TYR 44 -12.807 -2.057 -3.062 289 HE1 TYR 44 1HE TYR 44 -11.203 2.328 -1.511 290 HE2 TYR 44 2HE TYR 44 -13.977 -0.902 -1.232 291 HH TYR 44 HH TYR 44 -13.677 0.783 0.370 292 H GLY 45 H GLY 45 -11.671 -2.054 -7.146 293 HA2 GLY 45 1HA GLY 45 -9.694 -3.678 -8.150 294 HA3 GLY 45 2HA GLY 45 -11.188 -3.321 -9.004 295 H GLY 46 H GLY 46 -10.735 -0.539 -9.403 296 HA2 GLY 46 1HA GLY 46 -8.979 -0.723 -11.693 297 HA3 GLY 46 2HA GLY 46 -9.965 0.659 -11.239 298 H ALA 47 H ALA 47 -9.126 1.396 -8.828 299 HA ALA 47 HA ALA 47 -6.997 2.990 -9.115 300 HB1 ALA 47 1HB ALA 47 -8.537 2.339 -7.006 301 HB2 ALA 47 2HB ALA 47 -7.000 1.636 -6.498 302 HB3 ALA 47 3HB ALA 47 -7.097 3.352 -6.891 303 H LEU 48 H LEU 48 -6.756 -0.371 -7.963 304 HA LEU 48 HA LEU 48 -3.979 -0.453 -7.672 305 HB2 LEU 48 1HB LEU 48 -5.601 -2.149 -6.839 306 HB3 LEU 48 2HB LEU 48 -5.773 -2.731 -8.494 307 HG LEU 48 HG LEU 48 -4.209 -3.974 -6.826 308 HD11 LEU 48 1HD1 LEU 48 -2.536 -3.889 -9.053 309 HD12 LEU 48 2HD1 LEU 48 -4.148 -3.537 -9.672 310 HD13 LEU 48 3HD1 LEU 48 -3.861 -5.015 -8.755 311 HD21 LEU 48 1HD2 LEU 48 -3.031 -1.687 -6.398 312 HD22 LEU 48 2HD2 LEU 48 -2.158 -2.077 -7.880 313 HD23 LEU 48 3HD2 LEU 48 -2.077 -3.167 -6.495 314 H ALA 49 H ALA 49 -5.962 -1.552 -10.424 315 HA ALA 49 HA ALA 49 -4.094 -2.445 -12.163 316 HB1 ALA 49 1HB ALA 49 -5.575 -1.202 -13.953 317 HB2 ALA 49 2HB ALA 49 -6.203 -2.572 -13.036 318 HB3 ALA 49 3HB ALA 49 -6.620 -0.927 -12.559 319 H ALA 50 H ALA 50 -5.002 0.983 -11.800 320 HA ALA 50 HA ALA 50 -3.237 2.061 -13.654 321 HB1 ALA 50 1HB ALA 50 -3.930 4.065 -12.895 322 HB2 ALA 50 2HB ALA 50 -5.106 3.095 -12.007 323 HB3 ALA 50 3HB ALA 50 -3.636 3.649 -11.207 324 H TYR 51 H TYR 51 -2.746 1.702 -10.138 325 HA TYR 51 HA TYR 51 -0.158 2.667 -9.988 326 HB2 TYR 51 1HB TYR 51 -1.532 0.516 -8.374 327 HB3 TYR 51 2HB TYR 51 0.055 1.159 -7.967 328 HD1 TYR 51 1HD TYR 51 -0.204 4.006 -8.394 329 HD2 TYR 51 2HD TYR 51 -3.034 1.268 -6.783 330 HE1 TYR 51 1HE TYR 51 -1.265 5.843 -7.151 331 HE2 TYR 51 2HE TYR 51 -4.103 3.098 -5.536 332 HH TYR 51 HH TYR 51 -2.787 5.856 -4.830 333 H THR 52 H THR 52 -1.306 -0.505 -10.960 334 HA THR 52 HA THR 52 1.107 -1.912 -10.895 335 HB THR 52 HB THR 52 -1.146 -2.285 -12.878 336 HG1 THR 52 1HG THR 52 -1.730 -2.352 -10.584 337 HG21 THR 52 1HG2 THR 52 0.798 -3.520 -13.560 338 HG22 THR 52 2HG2 THR 52 -0.352 -4.654 -12.851 339 HG23 THR 52 3HG2 THR 52 1.048 -4.122 -11.922 340 H GLN 53 H GLN 53 -0.442 -0.384 -13.728 341 HA GLN 53 HA GLN 53 1.586 -0.772 -15.557 342 HB2 GLN 53 1HB GLN 53 0.025 1.793 -15.508 343 HB3 GLN 53 2HB GLN 53 0.558 0.854 -16.896 344 HG2 GLN 53 1HG GLN 53 -1.044 -0.958 -15.873 345 HG3 GLN 53 2HG GLN 53 -1.787 0.451 -15.118 346 HE21 GLN 53 1HE2 GLN 53 -2.162 2.304 -16.700 347 HE22 GLN 53 2HE2 GLN 53 -2.841 1.869 -18.228 348 H ALA 54 H ALA 54 1.113 2.062 -13.451 349 HA ALA 54 HA ALA 54 3.243 3.608 -14.200 350 HB1 ALA 54 1HB ALA 54 3.136 3.718 -11.370 351 HB2 ALA 54 2HB ALA 54 2.441 4.840 -12.540 352 HB3 ALA 54 3HB ALA 54 1.495 3.467 -11.965 353 H LEU 55 H LEU 55 3.283 0.961 -11.825 354 HA LEU 55 HA LEU 55 6.050 1.182 -11.242 355 HB2 LEU 55 1HB LEU 55 3.929 -0.854 -10.753 356 HB3 LEU 55 2HB LEU 55 5.615 -1.304 -10.505 357 HG LEU 55 HG LEU 55 4.343 1.059 -9.141 358 HD11 LEU 55 1HD1 LEU 55 4.064 -1.801 -8.589 359 HD12 LEU 55 2HD1 LEU 55 3.100 -0.435 -8.031 360 HD13 LEU 55 3HD1 LEU 55 4.608 -0.843 -7.212 361 HD21 LEU 55 1HD2 LEU 55 6.847 -0.546 -8.644 362 HD22 LEU 55 2HD2 LEU 55 6.221 0.697 -7.560 363 HD23 LEU 55 3HD2 LEU 55 6.746 1.129 -9.188 364 H GLY 56 H GLY 56 4.244 -0.409 -13.747 365 HA2 GLY 56 1HA GLY 56 6.456 -2.100 -14.554 366 HA3 GLY 56 2HA GLY 56 4.902 -1.955 -15.361 367 H LEU 57 H LEU 57 6.960 0.768 -14.543 368 HA LEU 57 HA LEU 57 7.741 1.036 -17.357 369 HB2 LEU 57 1HB LEU 57 6.492 3.209 -15.682 370 HB3 LEU 57 2HB LEU 57 7.206 3.444 -17.276 371 HG LEU 57 HG LEU 57 4.810 1.697 -16.718 372 HD11 LEU 57 1HD1 LEU 57 4.272 4.018 -16.263 373 HD12 LEU 57 2HD1 LEU 57 3.508 3.493 -17.763 374 HD13 LEU 57 3HD1 LEU 57 4.954 4.502 -17.816 375 HD21 LEU 57 1HD2 LEU 57 4.976 2.589 -19.396 376 HD22 LEU 57 2HD2 LEU 57 5.115 0.942 -18.780 377 HD23 LEU 57 3HD2 LEU 57 6.557 1.943 -18.955 378 H ASP 58 H ASP 58 9.209 3.176 -17.451 379 HA ASP 58 HA ASP 58 11.391 2.620 -15.613 380 HB2 ASP 58 1HB ASP 58 12.647 4.231 -17.096 381 HB3 ASP 58 2HB ASP 58 12.036 2.791 -17.906 382 H ALA 59 H ALA 59 9.691 3.589 -13.974 383 HA ALA 59 HA ALA 59 9.721 6.483 -13.862 384 HB1 ALA 59 1HB ALA 59 8.170 6.322 -12.146 385 HB2 ALA 59 2HB ALA 59 7.801 4.912 -13.140 386 HB3 ALA 59 3HB ALA 59 8.730 4.724 -11.653 387 H THR 60 H THR 60 10.338 7.552 -11.770 388 HA THR 60 HA THR 60 13.060 6.998 -11.192 389 HB THR 60 HB THR 60 12.466 8.693 -9.218 390 HG1 THR 60 1HG THR 60 10.565 9.618 -9.434 391 HG21 THR 60 1HG2 THR 60 12.867 9.176 -12.144 392 HG22 THR 60 2HG2 THR 60 13.982 9.440 -10.804 393 HG23 THR 60 3HG2 THR 60 12.625 10.539 -11.052 394 HA PRO 61 HA PRO 61 12.891 4.285 -7.747 395 HB2 PRO 61 1HB PRO 61 14.865 5.252 -6.154 396 HB3 PRO 61 2HB PRO 61 15.185 4.399 -7.669 397 HG2 PRO 61 1HG PRO 61 15.150 7.342 -7.122 398 HG3 PRO 61 2HG PRO 61 16.301 6.397 -8.084 399 HD2 PRO 61 1HD PRO 61 14.306 7.843 -9.207 400 HD3 PRO 61 2HD PRO 61 14.907 6.332 -9.919 401 H GLN 62 H GLN 62 12.459 7.683 -7.239 402 HA GLN 62 HA GLN 62 11.666 7.392 -4.468 403 HB2 GLN 62 1HB GLN 62 12.840 9.430 -5.560 404 HB3 GLN 62 2HB GLN 62 11.231 9.857 -6.128 405 HG2 GLN 62 1HG GLN 62 11.603 9.259 -3.241 406 HG3 GLN 62 2HG GLN 62 12.188 10.798 -3.872 407 HE21 GLN 62 1HE2 GLN 62 10.571 11.645 -2.364 408 HE22 GLN 62 2HE2 GLN 62 8.937 11.799 -2.905 409 H ASP 63 H ASP 63 10.195 7.370 -7.581 410 HA ASP 63 HA ASP 63 7.527 7.854 -6.514 411 HB2 ASP 63 1HB ASP 63 8.731 7.691 -9.230 412 HB3 ASP 63 2HB ASP 63 7.032 7.256 -9.071 413 H GLN 64 H GLN 64 9.515 5.237 -7.724 414 HA GLN 64 HA GLN 64 7.570 3.283 -8.115 415 HB2 GLN 64 1HB GLN 64 10.480 3.243 -7.467 416 HB3 GLN 64 2HB GLN 64 9.578 1.740 -7.323 417 HG2 GLN 64 1HG GLN 64 8.926 1.849 -9.632 418 HG3 GLN 64 2HG GLN 64 9.665 3.440 -9.803 419 HE21 GLN 64 1HE2 GLN 64 10.972 2.678 -11.485 420 HE22 GLN 64 2HE2 GLN 64 12.349 1.680 -11.183 421 H ALA 65 H ALA 65 9.117 4.405 -5.170 422 HA ALA 65 HA ALA 65 8.176 2.327 -3.482 423 HB1 ALA 65 1HB ALA 65 9.393 3.347 -1.915 424 HB2 ALA 65 2HB ALA 65 9.925 4.427 -3.204 425 HB3 ALA 65 3HB ALA 65 8.579 4.892 -2.164 426 H VAL 66 H VAL 66 7.029 5.656 -4.028 427 HA VAL 66 HA VAL 66 4.875 5.690 -2.310 428 HB VAL 66 HB VAL 66 5.115 6.967 -5.035 429 HG11 VAL 66 1HG1 VAL 66 2.914 6.942 -3.090 430 HG12 VAL 66 2HG1 VAL 66 3.389 8.543 -3.660 431 HG13 VAL 66 3HG1 VAL 66 2.902 7.303 -4.816 432 HG21 VAL 66 1HG2 VAL 66 5.286 8.947 -3.170 433 HG22 VAL 66 2HG2 VAL 66 6.096 7.612 -2.350 434 HG23 VAL 66 3HG2 VAL 66 6.666 8.154 -3.928 435 H LEU 67 H LEU 67 5.156 4.164 -5.450 436 HA LEU 67 HA LEU 67 2.369 3.615 -5.754 437 HB2 LEU 67 1HB LEU 67 4.719 2.261 -7.067 438 HB3 LEU 67 2HB LEU 67 3.041 2.200 -7.602 439 HG LEU 67 HG LEU 67 4.380 4.856 -7.435 440 HD11 LEU 67 1HD1 LEU 67 5.677 2.842 -8.747 441 HD12 LEU 67 2HD1 LEU 67 5.798 4.558 -9.136 442 HD13 LEU 67 3HD1 LEU 67 4.671 3.531 -10.022 443 HD21 LEU 67 1HD2 LEU 67 2.068 4.850 -8.007 444 HD22 LEU 67 2HD2 LEU 67 2.305 3.579 -9.207 445 HD23 LEU 67 3HD2 LEU 67 2.974 5.188 -9.482 446 H HIS 68 H HIS 68 5.158 1.789 -4.577 447 HA HIS 68 HA HIS 68 3.960 -0.705 -4.274 448 HB2 HIS 68 1HB HIS 68 6.217 0.675 -2.853 449 HB3 HIS 68 2HB HIS 68 5.672 -0.915 -2.325 450 HD1 HIS 68 1HD HIS 68 5.515 -2.664 -4.556 451 HD2 HIS 68 2HD HIS 68 8.239 0.472 -4.618 452 HE1 HIS 68 1HE HIS 68 7.238 -3.304 -6.273 453 HE2 HIS 68 2HE HIS 68 8.921 -1.431 -6.232 454 H ARG 69 H ARG 69 4.256 1.916 -1.879 455 HA ARG 69 HA ARG 69 2.794 0.621 0.150 456 HB2 ARG 69 1HB ARG 69 2.580 2.886 1.143 457 HB3 ARG 69 2HB ARG 69 4.228 2.492 0.674 458 HG2 ARG 69 1HG ARG 69 3.910 3.801 -1.398 459 HG3 ARG 69 2HG ARG 69 2.306 4.259 -0.824 460 HD2 ARG 69 1HD ARG 69 3.483 5.139 1.256 461 HD3 ARG 69 2HD ARG 69 4.983 4.964 0.346 462 HE ARG 69 HE ARG 69 3.133 6.434 -1.180 463 HH11 ARG 69 2HH1 ARG 69 5.113 6.727 1.669 464 HH12 ARG 69 1HH1 ARG 69 5.282 8.446 1.533 465 HH21 ARG 69 2HH2 ARG 69 3.348 8.697 -1.369 466 HH22 ARG 69 1HH2 ARG 69 4.277 9.565 -0.194 467 H ASN 70 H ASN 70 1.813 2.321 -2.693 468 HA ASN 70 HA ASN 70 -0.856 2.894 -1.818 469 HB2 ASN 70 1HB ASN 70 0.587 3.029 -4.446 470 HB3 ASN 70 2HB ASN 70 -1.166 3.184 -4.396 471 HD21 ASN 70 1HD2 ASN 70 0.668 5.170 -5.247 472 HD22 ASN 70 2HD2 ASN 70 0.510 6.519 -4.178 473 H ARG 71 H ARG 71 0.682 0.375 -3.763 474 HA ARG 71 HA ARG 71 -1.559 -0.950 -4.703 475 HB2 ARG 71 1HB ARG 71 1.234 -1.762 -4.065 476 HB3 ARG 71 2HB ARG 71 0.056 -3.040 -4.337 477 HG2 ARG 71 1HG ARG 71 -0.488 -1.592 -6.479 478 HG3 ARG 71 2HG ARG 71 1.173 -1.051 -6.231 479 HD2 ARG 71 1HD ARG 71 1.627 -3.630 -5.986 480 HD3 ARG 71 2HD ARG 71 0.133 -3.760 -6.913 481 HE ARG 71 HE ARG 71 1.759 -1.936 -8.231 482 HH11 ARG 71 2HH1 ARG 71 1.799 -5.312 -7.384 483 HH12 ARG 71 1HH1 ARG 71 2.754 -5.778 -8.753 484 HH21 ARG 71 2HH2 ARG 71 3.016 -2.537 -10.037 485 HH22 ARG 71 1HH2 ARG 71 3.446 -4.199 -10.261 486 H ALA 72 H ALA 72 0.092 -1.303 -1.588 487 HA ALA 72 HA ALA 72 -1.332 -3.462 -0.570 488 HB1 ALA 72 1HB ALA 72 0.062 -1.144 0.706 489 HB2 ALA 72 2HB ALA 72 -0.837 -2.297 1.693 490 HB3 ALA 72 3HB ALA 72 0.507 -2.851 0.694 491 H ALA 73 H ALA 73 -2.029 0.013 -0.191 492 HA ALA 73 HA ALA 73 -4.248 -0.033 1.376 493 HB1 ALA 73 1HB ALA 73 -3.056 1.939 0.182 494 HB2 ALA 73 2HB ALA 73 -4.281 1.692 -1.064 495 HB3 ALA 73 3HB ALA 73 -4.767 2.075 0.587 496 H CYS 74 H CYS 74 -4.232 -0.465 -2.159 497 HA CYS 74 HA CYS 74 -6.986 -0.837 -2.475 498 HB2 CYS 74 1HB CYS 74 -4.652 -1.857 -4.098 499 HB3 CYS 74 2HB CYS 74 -6.329 -2.041 -4.597 500 HG CYS 74 HG CYS 74 -4.333 0.458 -5.135 501 H HIS 75 H HIS 75 -4.396 -3.237 -2.052 502 HA HIS 75 HA HIS 75 -5.930 -5.543 -2.206 503 HB2 HIS 75 1HB HIS 75 -3.367 -4.845 -0.833 504 HB3 HIS 75 2HB HIS 75 -4.114 -6.404 -0.495 505 HD1 HIS 75 1HD HIS 75 -4.995 -7.383 -3.162 506 HD2 HIS 75 2HD HIS 75 -1.419 -5.335 -2.633 507 HE1 HIS 75 1HE HIS 75 -3.552 -8.034 -5.116 508 HE2 HIS 75 2HE HIS 75 -1.363 -6.849 -4.729 509 H LEU 76 H LEU 76 -4.923 -3.875 0.786 510 HA LEU 76 HA LEU 76 -6.193 -5.293 2.688 511 HB2 LEU 76 1HB LEU 76 -5.927 -2.321 2.383 512 HB3 LEU 76 2HB LEU 76 -6.685 -3.032 3.807 513 HG LEU 76 HG LEU 76 -3.904 -3.791 2.964 514 HD11 LEU 76 1HD1 LEU 76 -3.002 -1.908 3.739 515 HD12 LEU 76 2HD1 LEU 76 -4.069 -1.877 5.142 516 HD13 LEU 76 3HD1 LEU 76 -4.615 -1.207 3.605 517 HD21 LEU 76 1HD2 LEU 76 -4.275 -5.232 4.632 518 HD22 LEU 76 2HD2 LEU 76 -5.703 -4.360 5.191 519 HD23 LEU 76 3HD2 LEU 76 -4.096 -3.838 5.698 520 H LYS 77 H LYS 77 -7.749 -2.778 0.712 521 HA LYS 77 HA LYS 77 -10.323 -3.089 1.836 522 HB2 LYS 77 1HB LYS 77 -9.434 -1.983 -0.831 523 HB3 LYS 77 2HB LYS 77 -11.089 -1.900 -0.242 524 HG2 LYS 77 1HG LYS 77 -8.700 -0.687 1.132 525 HG3 LYS 77 2HG LYS 77 -9.850 0.187 0.117 526 HD2 LYS 77 1HD LYS 77 -11.599 -0.878 1.781 527 HD3 LYS 77 2HD LYS 77 -10.196 -0.947 2.850 528 HE2 LYS 77 1HE LYS 77 -9.837 1.468 2.473 529 HE3 LYS 77 2HE LYS 77 -11.299 1.509 1.488 530 HZ1 LYS 77 1HZ LYS 77 -11.031 1.155 4.395 531 HZ2 LYS 77 2HZ LYS 77 -12.376 0.505 3.602 532 HZ3 LYS 77 3HZ LYS 77 -12.075 2.168 3.530 533 H LEU 78 H LEU 78 -8.644 -4.699 -0.779 534 HA LEU 78 HA LEU 78 -11.053 -6.190 -1.501 535 HB2 LEU 78 1HB LEU 78 -8.305 -6.279 -2.735 536 HB3 LEU 78 2HB LEU 78 -9.766 -7.028 -3.375 537 HG LEU 78 HG LEU 78 -9.714 -4.071 -2.989 538 HD11 LEU 78 1HD1 LEU 78 -7.588 -4.665 -4.125 539 HD12 LEU 78 2HD1 LEU 78 -8.685 -3.714 -5.126 540 HD13 LEU 78 3HD1 LEU 78 -8.531 -5.451 -5.392 541 HD21 LEU 78 1HD2 LEU 78 -10.823 -5.394 -5.384 542 HD22 LEU 78 2HD2 LEU 78 -11.477 -4.081 -4.403 543 HD23 LEU 78 3HD2 LEU 78 -11.621 -5.750 -3.852 544 H GLU 79 H GLU 79 -10.237 -6.780 1.031 545 HA GLU 79 HA GLU 79 -9.341 -8.396 2.416 546 HB2 GLU 79 1HB GLU 79 -11.526 -9.245 1.209 547 HB3 GLU 79 2HB GLU 79 -10.417 -10.391 0.469 548 HG2 GLU 79 1HG GLU 79 -9.666 -10.881 2.885 549 HG3 GLU 79 2HG GLU 79 -11.174 -10.092 3.344 550 H ASP 80 H ASP 80 -7.277 -7.535 0.901 551 HA ASP 80 HA ASP 80 -5.877 -10.025 0.175 552 HB2 ASP 80 1HB ASP 80 -5.887 -7.335 -1.138 553 HB3 ASP 80 2HB ASP 80 -4.436 -8.330 -1.230 554 H TYR 81 H TYR 81 -5.924 -9.139 2.792 555 HA TYR 81 HA TYR 81 -3.912 -7.402 3.594 556 HB2 TYR 81 1HB TYR 81 -4.532 -9.903 5.140 557 HB3 TYR 81 2HB TYR 81 -4.156 -8.295 5.748 558 HD1 TYR 81 2HD TYR 81 -5.887 -6.451 5.376 559 HD2 TYR 81 1HD TYR 81 -6.756 -10.585 4.869 560 HE1 TYR 81 2HE TYR 81 -8.289 -5.967 5.592 561 HE2 TYR 81 1HE TYR 81 -9.160 -10.112 5.082 562 HH TYR 81 HH TYR 81 -10.358 -7.155 6.214 563 H ASP 82 H ASP 82 -3.737 -10.929 3.149 564 HA ASP 82 HA ASP 82 -1.209 -11.512 3.892 565 HB2 ASP 82 1HB ASP 82 -2.240 -12.483 1.232 566 HB3 ASP 82 2HB ASP 82 -1.233 -13.342 2.395 567 H LYS 83 H LYS 83 -2.048 -10.330 0.632 568 HA LYS 83 HA LYS 83 0.676 -9.969 -0.131 569 HB2 LYS 83 1HB LYS 83 -1.831 -8.817 -1.370 570 HB3 LYS 83 2HB LYS 83 -0.242 -8.873 -2.122 571 HG2 LYS 83 1HG LYS 83 -0.362 -11.123 -2.535 572 HG3 LYS 83 2HG LYS 83 -1.488 -11.417 -1.208 573 HD2 LYS 83 1HD LYS 83 -3.321 -10.739 -2.439 574 HD3 LYS 83 2HD LYS 83 -2.350 -9.749 -3.532 575 HE2 LYS 83 1HE LYS 83 -1.326 -11.990 -4.291 576 HE3 LYS 83 2HE LYS 83 -2.724 -12.724 -3.508 577 HZ1 LYS 83 1HZ LYS 83 -3.184 -12.381 -5.824 578 HZ2 LYS 83 2HZ LYS 83 -2.778 -10.742 -5.719 579 HZ3 LYS 83 3HZ LYS 83 -4.150 -11.326 -4.920 580 H ALA 84 H ALA 84 -1.933 -7.686 0.689 581 HA ALA 84 HA ALA 84 -0.808 -5.273 0.414 582 HB1 ALA 84 1HB ALA 84 -2.558 -4.612 1.608 583 HB2 ALA 84 2HB ALA 84 -2.892 -6.307 1.967 584 HB3 ALA 84 3HB ALA 84 -1.903 -5.350 3.070 585 H GLU 85 H GLU 85 -0.199 -7.389 3.213 586 HA GLU 85 HA GLU 85 1.525 -5.765 4.632 587 HB2 GLU 85 1HB GLU 85 0.743 -7.821 5.590 588 HB3 GLU 85 2HB GLU 85 1.510 -8.768 4.322 589 HG2 GLU 85 1HG GLU 85 3.175 -7.034 6.086 590 HG3 GLU 85 2HG GLU 85 2.604 -8.597 6.670 591 H THR 86 H THR 86 2.460 -8.271 2.270 592 HA THR 86 HA THR 86 5.186 -7.804 2.245 593 HB THR 86 HB THR 86 3.505 -8.598 -0.140 594 HG1 THR 86 1HG THR 86 3.120 -10.266 1.122 595 HG21 THR 86 1HG2 THR 86 5.438 -9.399 -1.146 596 HG22 THR 86 2HG2 THR 86 6.327 -9.457 0.376 597 HG23 THR 86 3HG2 THR 86 5.998 -7.906 -0.395 598 H GLU 87 H GLU 87 2.803 -6.488 -0.068 599 HA GLU 87 HA GLU 87 4.370 -4.885 -1.591 600 HB2 GLU 87 1HB GLU 87 1.647 -4.200 -0.472 601 HB3 GLU 87 2HB GLU 87 2.418 -3.353 -1.806 602 HG2 GLU 87 1HG GLU 87 1.859 -6.301 -1.867 603 HG3 GLU 87 2HG GLU 87 0.697 -5.094 -2.414 604 H ALA 88 H ALA 88 2.895 -3.889 1.497 605 HA ALA 88 HA ALA 88 3.846 -1.335 1.713 606 HB1 ALA 88 1HB ALA 88 2.846 -3.330 3.519 607 HB2 ALA 88 2HB ALA 88 4.141 -2.409 4.284 608 HB3 ALA 88 3HB ALA 88 2.737 -1.573 3.621 609 H SER 89 H SER 89 5.534 -4.268 2.838 610 HA SER 89 HA SER 89 7.837 -3.131 3.815 611 HB2 SER 89 1HB SER 89 7.286 -5.549 3.942 612 HB3 SER 89 2HB SER 89 7.682 -5.707 2.231 613 HG SER 89 HG SER 89 9.342 -6.045 4.118 614 H LYS 90 H LYS 90 7.145 -4.053 0.458 615 HA LYS 90 HA LYS 90 9.599 -3.462 -0.685 616 HB2 LYS 90 1HB LYS 90 6.839 -3.101 -1.866 617 HB3 LYS 90 2HB LYS 90 8.335 -3.098 -2.791 618 HG2 LYS 90 1HG LYS 90 8.756 -5.391 -2.229 619 HG3 LYS 90 2HG LYS 90 7.378 -5.417 -1.127 620 HD2 LYS 90 1HD LYS 90 5.850 -5.089 -2.978 621 HD3 LYS 90 2HD LYS 90 7.203 -4.940 -4.102 622 HE2 LYS 90 1HE LYS 90 7.877 -7.263 -3.461 623 HE3 LYS 90 2HE LYS 90 6.380 -7.382 -2.538 624 HZ1 LYS 90 1HZ LYS 90 6.310 -6.632 -5.386 625 HZ2 LYS 90 2HZ LYS 90 5.102 -7.348 -4.442 626 HZ3 LYS 90 3HZ LYS 90 6.437 -8.259 -4.939 627 H ALA 91 H ALA 91 6.986 -1.315 0.249 628 HA ALA 91 HA ALA 91 8.191 0.998 -0.992 629 HB1 ALA 91 1HB ALA 91 6.330 2.224 -0.187 630 HB2 ALA 91 2HB ALA 91 5.711 0.659 -0.715 631 HB3 ALA 91 3HB ALA 91 5.939 0.983 1.003 632 H ILE 92 H ILE 92 8.416 -0.643 2.011 633 HA ILE 92 HA ILE 92 9.362 1.648 3.502 634 HB ILE 92 HB ILE 92 9.287 -1.286 4.212 635 HG12 ILE 92 1HG1 ILE 92 7.629 0.963 5.349 636 HG13 ILE 92 2HG1 ILE 92 7.109 0.023 3.955 637 HG21 ILE 92 1HG2 ILE 92 9.869 -0.648 6.461 638 HG22 ILE 92 2HG2 ILE 92 11.111 -0.065 5.354 639 HG23 ILE 92 3HG2 ILE 92 9.915 1.055 6.004 640 HD11 ILE 92 1HD1 ILE 92 7.872 -1.327 6.510 641 HD12 ILE 92 2HD1 ILE 92 6.263 -0.639 6.285 642 HD13 ILE 92 3HD1 ILE 92 6.839 -1.908 5.204 643 H GLU 93 H GLU 93 10.727 -1.186 1.914 644 HA GLU 93 HA GLU 93 13.373 -0.856 2.869 645 HB2 GLU 93 1HB GLU 93 13.975 -2.327 0.917 646 HB3 GLU 93 2HB GLU 93 12.757 -2.987 2.000 647 HG2 GLU 93 1HG GLU 93 11.003 -2.407 0.456 648 HG3 GLU 93 2HG GLU 93 12.160 -1.605 -0.605 649 H LYS 94 H LYS 94 11.713 0.234 -0.060 650 HA LYS 94 HA LYS 94 13.759 1.243 -1.554 651 HB2 LYS 94 1HB LYS 94 10.937 2.104 -1.119 652 HB3 LYS 94 2HB LYS 94 11.998 3.179 -2.020 653 HG2 LYS 94 1HG LYS 94 11.902 0.312 -2.799 654 HG3 LYS 94 2HG LYS 94 10.542 1.353 -3.226 655 HD2 LYS 94 1HD LYS 94 12.154 2.925 -4.284 656 HD3 LYS 94 2HD LYS 94 13.440 1.759 -3.962 657 HE2 LYS 94 1HE LYS 94 11.003 0.847 -5.413 658 HE3 LYS 94 2HE LYS 94 12.190 1.818 -6.281 659 HZ1 LYS 94 1HZ LYS 94 13.028 -0.241 -6.660 660 HZ2 LYS 94 2HZ LYS 94 12.426 -0.894 -5.221 661 HZ3 LYS 94 3HZ LYS 94 13.814 0.073 -5.194 662 H ASP 95 H ASP 95 11.985 3.099 0.925 663 HA ASP 95 HA ASP 95 14.317 4.887 1.119 664 HB2 ASP 95 1HB ASP 95 12.149 5.926 0.408 665 HB3 ASP 95 2HB ASP 95 11.477 5.476 1.973 666 H GLY 96 H GLY 96 11.609 4.051 3.285 667 HA2 GLY 96 1HA GLY 96 12.275 2.555 5.215 668 HA3 GLY 96 2HA GLY 96 13.602 3.687 5.434 669 H GLY 97 H GLY 97 12.051 6.054 4.857 670 HA2 GLY 97 1HA GLY 97 10.748 6.293 7.460 671 HA3 GLY 97 2HA GLY 97 11.209 7.618 6.401 672 H ASP 98 H ASP 98 9.498 4.923 5.069 673 HA ASP 98 HA ASP 98 7.255 6.663 4.451 674 HB2 ASP 98 1HB ASP 98 8.217 4.006 3.476 675 HB3 ASP 98 2HB ASP 98 6.522 4.428 3.247 676 H VAL 99 H VAL 99 6.465 6.825 6.642 677 HA VAL 99 HA VAL 99 5.634 4.624 8.180 678 HB VAL 99 HB VAL 99 4.412 6.161 9.532 679 HG11 VAL 99 1HG1 VAL 99 7.078 6.778 8.600 680 HG12 VAL 99 2HG1 VAL 99 6.244 8.221 9.179 681 HG13 VAL 99 3HG1 VAL 99 6.420 6.819 10.235 682 HG21 VAL 99 1HG2 VAL 99 4.124 7.613 7.014 683 HG22 VAL 99 2HG2 VAL 99 3.079 7.588 8.435 684 HG23 VAL 99 3HG2 VAL 99 4.485 8.651 8.394 685 H LYS 100 H LYS 100 4.283 6.070 5.385 686 HA LYS 100 HA LYS 100 1.562 5.591 5.692 687 HB2 LYS 100 1HB LYS 100 3.305 5.497 3.229 688 HB3 LYS 100 2HB LYS 100 1.551 5.383 3.172 689 HG2 LYS 100 1HG LYS 100 2.856 7.688 4.552 690 HG3 LYS 100 2HG LYS 100 2.703 7.670 2.794 691 HD2 LYS 100 1HD LYS 100 0.417 7.832 2.855 692 HD3 LYS 100 2HD LYS 100 0.296 7.040 4.428 693 HE2 LYS 100 1HE LYS 100 -0.252 9.267 4.867 694 HE3 LYS 100 2HE LYS 100 1.436 9.137 5.358 695 HZ1 LYS 100 1HZ LYS 100 0.384 10.967 3.616 696 HZ2 LYS 100 2HZ LYS 100 1.185 9.866 2.613 697 HZ3 LYS 100 3HZ LYS 100 2.027 10.643 3.858 698 H ALA 101 H ALA 101 3.960 3.465 4.121 699 HA ALA 101 HA ALA 101 2.207 1.282 3.797 700 HB1 ALA 101 1HB ALA 101 4.541 0.029 3.758 701 HB2 ALA 101 2HB ALA 101 4.014 1.060 2.427 702 HB3 ALA 101 3HB ALA 101 5.144 1.681 3.630 703 H LEU 102 H LEU 102 4.091 2.389 6.492 704 HA LEU 102 HA LEU 102 4.170 -0.041 7.950 705 HB2 LEU 102 1HB LEU 102 4.482 2.846 8.688 706 HB3 LEU 102 2HB LEU 102 4.473 1.589 9.923 707 HG LEU 102 HG LEU 102 6.395 1.490 7.621 708 HD11 LEU 102 1HD1 LEU 102 7.732 2.457 9.893 709 HD12 LEU 102 2HD1 LEU 102 6.314 3.482 9.675 710 HD13 LEU 102 3HD1 LEU 102 7.468 3.284 8.357 711 HD21 LEU 102 1HD2 LEU 102 6.630 0.460 10.441 712 HD22 LEU 102 2HD2 LEU 102 7.665 0.084 9.063 713 HD23 LEU 102 3HD2 LEU 102 5.999 -0.495 9.099 714 H TYR 103 H TYR 103 2.051 2.810 8.197 715 HA TYR 103 HA TYR 103 0.397 1.823 10.230 716 HB2 TYR 103 1HB TYR 103 0.475 4.194 9.481 717 HB3 TYR 103 2HB TYR 103 -0.374 3.729 8.011 718 HD1 TYR 103 2HD TYR 103 -0.821 3.104 11.677 719 HD2 TYR 103 1HD TYR 103 -2.593 4.327 8.007 720 HE1 TYR 103 2HE TYR 103 -2.972 3.417 12.827 721 HE2 TYR 103 1HE TYR 103 -4.749 4.646 9.148 722 HH TYR 103 HH TYR 103 -5.423 3.428 12.177 723 H ARG 104 H ARG 104 0.447 1.227 6.802 724 HA ARG 104 HA ARG 104 -2.166 -0.019 6.780 725 HB2 ARG 104 1HB ARG 104 -0.067 0.584 4.750 726 HB3 ARG 104 2HB ARG 104 -1.208 -0.707 4.399 727 HG2 ARG 104 1HG ARG 104 -3.024 0.736 4.353 728 HG3 ARG 104 2HG ARG 104 -2.177 1.985 5.269 729 HD2 ARG 104 1HD ARG 104 -0.617 2.190 3.288 730 HD3 ARG 104 2HD ARG 104 -1.755 1.177 2.401 731 HE ARG 104 HE ARG 104 -3.356 3.117 3.295 732 HH11 ARG 104 2HH1 ARG 104 -0.239 3.247 1.750 733 HH12 ARG 104 1HH1 ARG 104 -0.531 4.779 0.997 734 HH21 ARG 104 2HH2 ARG 104 -3.753 5.134 2.308 735 HH22 ARG 104 1HH2 ARG 104 -2.530 5.853 1.315 736 H ARG 105 H ARG 105 1.222 -1.012 6.688 737 HA ARG 105 HA ARG 105 0.906 -3.719 6.161 738 HB2 ARG 105 1HB ARG 105 3.091 -2.645 6.204 739 HB3 ARG 105 2HB ARG 105 2.942 -2.360 7.933 740 HG2 ARG 105 1HG ARG 105 3.402 -4.523 8.474 741 HG3 ARG 105 2HG ARG 105 2.734 -5.157 6.968 742 HD2 ARG 105 1HD ARG 105 5.079 -5.473 6.854 743 HD3 ARG 105 2HD ARG 105 4.702 -4.119 5.790 744 HE ARG 105 HE ARG 105 5.322 -2.855 8.059 745 HH11 ARG 105 2HH1 ARG 105 6.920 -5.441 6.361 746 HH12 ARG 105 1HH1 ARG 105 8.505 -4.987 6.893 747 HH21 ARG 105 2HH2 ARG 105 7.404 -2.247 8.766 748 HH22 ARG 105 1HH2 ARG 105 8.779 -3.170 8.262 749 H SER 106 H SER 106 0.999 -2.083 9.322 750 HA SER 106 HA SER 106 0.711 -4.272 10.974 751 HB2 SER 106 1HB SER 106 -0.258 -2.728 12.624 752 HB3 SER 106 2HB SER 106 1.118 -1.992 11.803 753 HG SER 106 HG SER 106 -0.191 -0.454 11.268 754 H GLN 107 H GLN 107 -1.872 -2.326 9.494 755 HA GLN 107 HA GLN 107 -4.086 -3.551 10.552 756 HB2 GLN 107 1HB GLN 107 -3.766 -2.631 7.690 757 HB3 GLN 107 2HB GLN 107 -5.291 -2.864 8.536 758 HG2 GLN 107 1HG GLN 107 -3.212 -0.936 9.509 759 HG3 GLN 107 2HG GLN 107 -4.422 -0.488 8.308 760 HE21 GLN 107 1HE2 GLN 107 -5.992 0.626 9.200 761 HE22 GLN 107 2HE2 GLN 107 -6.708 0.330 10.744 762 H ALA 108 H ALA 108 -2.162 -4.603 7.770 763 HA ALA 108 HA ALA 108 -3.788 -6.826 7.108 764 HB1 ALA 108 1HB ALA 108 -0.848 -6.527 6.532 765 HB2 ALA 108 2HB ALA 108 -2.029 -7.492 5.646 766 HB3 ALA 108 3HB ALA 108 -2.116 -5.731 5.599 767 H LEU 109 H LEU 109 -0.709 -6.602 8.889 768 HA LEU 109 HA LEU 109 -0.334 -9.259 9.496 769 HB2 LEU 109 1HB LEU 109 0.254 -6.805 11.135 770 HB3 LEU 109 2HB LEU 109 0.803 -8.419 11.582 771 HG LEU 109 HG LEU 109 1.530 -7.162 8.950 772 HD11 LEU 109 1HD1 LEU 109 3.353 -6.098 9.832 773 HD12 LEU 109 2HD1 LEU 109 3.406 -7.130 11.261 774 HD13 LEU 109 3HD1 LEU 109 2.186 -5.862 11.134 775 HD21 LEU 109 1HD2 LEU 109 1.800 -9.602 9.227 776 HD22 LEU 109 2HD2 LEU 109 2.858 -9.305 10.606 777 HD23 LEU 109 3HD2 LEU 109 3.334 -8.764 8.995 778 H GLU 110 H GLU 110 -2.053 -6.870 11.513 779 HA GLU 110 HA GLU 110 -2.859 -8.362 13.613 780 HB2 GLU 110 1HB GLU 110 -4.586 -6.433 12.053 781 HB3 GLU 110 2HB GLU 110 -4.938 -7.006 13.677 782 HG2 GLU 110 1HG GLU 110 -3.311 -5.733 14.635 783 HG3 GLU 110 2HG GLU 110 -2.301 -5.738 13.191 784 H LYS 111 H LYS 111 -4.174 -8.511 10.354 785 HA LYS 111 HA LYS 111 -6.280 -10.336 11.050 786 HB2 LYS 111 1HB LYS 111 -5.226 -9.142 8.528 787 HB3 LYS 111 2HB LYS 111 -6.200 -10.601 8.410 788 HG2 LYS 111 1HG LYS 111 -7.836 -9.040 8.221 789 HG3 LYS 111 2HG LYS 111 -7.819 -9.223 9.976 790 HD2 LYS 111 1HD LYS 111 -6.692 -7.215 10.299 791 HD3 LYS 111 2HD LYS 111 -6.082 -7.178 8.643 792 HE2 LYS 111 1HE LYS 111 -8.367 -6.778 7.831 793 HE3 LYS 111 2HE LYS 111 -8.949 -6.779 9.495 794 HZ1 LYS 111 1HZ LYS 111 -8.663 -4.560 9.157 795 HZ2 LYS 111 2HZ LYS 111 -7.376 -4.756 8.078 796 HZ3 LYS 111 3HZ LYS 111 -7.121 -4.938 9.740 797 H LEU 112 H LEU 112 -3.066 -10.587 9.608 798 HA LEU 112 HA LEU 112 -3.196 -13.323 8.939 799 HB2 LEU 112 1HB LEU 112 -0.837 -11.565 9.589 800 HB3 LEU 112 2HB LEU 112 -0.709 -13.197 8.937 801 HG LEU 112 HG LEU 112 -2.172 -11.006 7.487 802 HD11 LEU 112 1HD1 LEU 112 0.732 -11.472 7.761 803 HD12 LEU 112 2HD1 LEU 112 -0.155 -9.989 7.407 804 HD13 LEU 112 3HD1 LEU 112 0.127 -11.174 6.131 805 HD21 LEU 112 1HD2 LEU 112 -2.756 -12.945 6.437 806 HD22 LEU 112 2HD2 LEU 112 -1.270 -13.776 6.897 807 HD23 LEU 112 3HD2 LEU 112 -1.251 -12.596 5.586 808 H GLY 113 H GLY 113 -2.738 -11.682 11.940 809 HA2 GLY 113 1HA GLY 113 -3.174 -12.975 13.960 810 HA3 GLY 113 2HA GLY 113 -2.260 -14.291 13.237 811 H ARG 114 H ARG 114 -0.516 -11.753 12.343 812 HA ARG 114 HA ARG 114 1.348 -12.092 14.550 813 HB2 ARG 114 1HB ARG 114 1.639 -10.623 11.922 814 HB3 ARG 114 2HB ARG 114 2.924 -10.857 13.100 815 HG2 ARG 114 1HG ARG 114 3.202 -13.056 12.574 816 HG3 ARG 114 2HG ARG 114 1.521 -13.263 12.077 817 HD2 ARG 114 1HD ARG 114 1.900 -12.265 9.989 818 HD3 ARG 114 2HD ARG 114 3.428 -11.557 10.510 819 HE ARG 114 HE ARG 114 3.761 -14.283 10.699 820 HH11 ARG 114 2HH1 ARG 114 2.990 -11.997 8.190 821 HH12 ARG 114 1HH1 ARG 114 3.719 -12.936 6.930 822 HH21 ARG 114 2HH2 ARG 114 4.724 -15.529 9.049 823 HH22 ARG 114 1HH2 ARG 114 4.704 -14.946 7.419 824 H LEU 115 H LEU 115 0.433 -10.910 16.222 825 HA LEU 115 HA LEU 115 -0.354 -8.166 15.851 826 HB2 LEU 115 1HB LEU 115 0.028 -9.774 18.372 827 HB3 LEU 115 2HB LEU 115 -0.712 -8.177 18.279 828 HG LEU 115 HG LEU 115 -1.801 -10.803 17.306 829 HD11 LEU 115 1HD1 LEU 115 -2.743 -8.686 19.226 830 HD12 LEU 115 2HD1 LEU 115 -2.306 -10.357 19.584 831 HD13 LEU 115 3HD1 LEU 115 -3.761 -10.007 18.651 832 HD21 LEU 115 1HD2 LEU 115 -2.380 -9.522 15.485 833 HD22 LEU 115 2HD2 LEU 115 -2.464 -8.031 16.422 834 HD23 LEU 115 3HD2 LEU 115 -3.749 -9.232 16.558 835 H ASP 116 H ASP 116 2.143 -9.726 17.869 836 HA ASP 116 HA ASP 116 3.520 -7.655 18.854 837 HB2 ASP 116 1HB ASP 116 4.922 -9.935 17.449 838 HB3 ASP 116 2HB ASP 116 5.531 -8.979 18.797 839 H GLN 117 H GLN 117 3.881 -8.836 15.522 840 HA GLN 117 HA GLN 117 5.829 -6.969 14.728 841 HB2 GLN 117 1HB GLN 117 3.749 -8.374 13.044 842 HB3 GLN 117 2HB GLN 117 5.181 -7.560 12.428 843 HG2 GLN 117 1HG GLN 117 5.533 -9.713 14.445 844 HG3 GLN 117 2HG GLN 117 5.123 -10.161 12.790 845 HE21 GLN 117 1HE2 GLN 117 7.054 -11.086 12.279 846 HE22 GLN 117 2HE2 GLN 117 8.533 -10.202 12.149 847 H ALA 118 H ALA 118 2.299 -6.957 14.242 848 HA ALA 118 HA ALA 118 1.959 -4.626 12.871 849 HB1 ALA 118 1HB ALA 118 0.073 -5.994 13.359 850 HB2 ALA 118 2HB ALA 118 0.272 -5.755 15.095 851 HB3 ALA 118 3HB ALA 118 -0.230 -4.409 14.072 852 H VAL 119 H VAL 119 2.671 -4.992 16.296 853 HA VAL 119 HA VAL 119 2.279 -2.246 16.964 854 HB VAL 119 HB VAL 119 3.637 -4.532 18.369 855 HG11 VAL 119 1HG1 VAL 119 4.960 -2.932 19.285 856 HG12 VAL 119 2HG1 VAL 119 3.817 -1.632 18.943 857 HG13 VAL 119 3HG1 VAL 119 3.546 -2.709 20.314 858 HG21 VAL 119 1HG2 VAL 119 1.698 -3.479 20.000 859 HG22 VAL 119 2HG2 VAL 119 1.005 -3.271 18.392 860 HG23 VAL 119 3HG2 VAL 119 1.499 -4.873 18.938 861 H LEU 120 H LEU 120 5.134 -4.225 16.244 862 HA LEU 120 HA LEU 120 7.129 -2.378 16.730 863 HB2 LEU 120 1HB LEU 120 6.870 -4.624 14.772 864 HB3 LEU 120 2HB LEU 120 8.302 -3.597 14.761 865 HG LEU 120 HG LEU 120 7.453 -4.922 17.302 866 HD11 LEU 120 1HD1 LEU 120 8.184 -6.304 14.888 867 HD12 LEU 120 2HD1 LEU 120 7.713 -6.956 16.457 868 HD13 LEU 120 3HD1 LEU 120 9.400 -6.552 16.141 869 HD21 LEU 120 1HD2 LEU 120 10.269 -4.793 16.557 870 HD22 LEU 120 2HD2 LEU 120 9.460 -4.271 18.035 871 HD23 LEU 120 3HD2 LEU 120 9.489 -3.212 16.624 872 H ASP 121 H ASP 121 5.482 -2.967 13.622 873 HA ASP 121 HA ASP 121 6.711 -0.978 12.136 874 HB2 ASP 121 1HB ASP 121 3.913 -2.101 11.959 875 HB3 ASP 121 2HB ASP 121 4.587 -0.999 10.762 876 H LEU 122 H LEU 122 3.691 -0.763 14.007 877 HA LEU 122 HA LEU 122 3.077 1.893 13.472 878 HB2 LEU 122 1HB LEU 122 2.532 0.112 15.819 879 HB3 LEU 122 2HB LEU 122 1.995 1.791 15.809 880 HG LEU 122 HG LEU 122 1.203 -0.250 13.734 881 HD11 LEU 122 1HD1 LEU 122 -0.646 -0.804 14.927 882 HD12 LEU 122 2HD1 LEU 122 -0.716 0.750 15.758 883 HD13 LEU 122 3HD1 LEU 122 0.447 -0.473 16.271 884 HD21 LEU 122 1HD2 LEU 122 1.019 1.945 12.852 885 HD22 LEU 122 2HD2 LEU 122 0.313 2.560 14.346 886 HD23 LEU 122 3HD2 LEU 122 -0.606 1.452 13.327 887 H GLN 123 H GLN 123 4.920 0.574 16.222 888 HA GLN 123 HA GLN 123 5.513 2.789 17.649 889 HB2 GLN 123 1HB GLN 123 7.252 0.450 16.914 890 HB3 GLN 123 2HB GLN 123 7.846 1.727 17.968 891 HG2 GLN 123 1HG GLN 123 5.582 1.219 19.241 892 HG3 GLN 123 2HG GLN 123 5.794 -0.351 18.467 893 HE21 GLN 123 1HE2 GLN 123 7.269 -1.740 19.253 894 HE22 GLN 123 2HE2 GLN 123 8.302 -1.414 20.598 895 H ARG 124 H ARG 124 6.813 1.950 14.506 896 HA ARG 124 HA ARG 124 8.820 3.986 14.483 897 HB2 ARG 124 1HB ARG 124 7.585 2.573 12.115 898 HB3 ARG 124 2HB ARG 124 9.134 3.405 12.162 899 HG2 ARG 124 1HG ARG 124 9.911 1.728 13.828 900 HG3 ARG 124 2HG ARG 124 8.397 0.856 13.579 901 HD2 ARG 124 1HD ARG 124 8.933 0.334 11.359 902 HD3 ARG 124 2HD ARG 124 10.197 1.560 11.285 903 HE ARG 124 HE ARG 124 10.983 -0.225 13.234 904 HH11 ARG 124 2HH1 ARG 124 10.259 -0.335 9.830 905 HH12 ARG 124 1HH1 ARG 124 11.353 -1.639 9.507 906 HH21 ARG 124 2HH2 ARG 124 12.427 -1.941 12.821 907 HH22 ARG 124 1HH2 ARG 124 12.585 -2.553 11.209 908 H CYS 125 H CYS 125 5.514 3.716 13.277 909 HA CYS 125 HA CYS 125 5.371 6.012 11.733 910 HB2 CYS 125 1HB CYS 125 3.190 4.891 13.505 911 HB3 CYS 125 2HB CYS 125 2.960 5.956 12.123 912 HG CYS 125 HG CYS 125 2.397 3.009 11.867 913 H VAL 126 H VAL 126 5.246 5.640 15.216 914 HA VAL 126 HA VAL 126 4.326 8.243 15.835 915 HB VAL 126 HB VAL 126 6.076 6.477 17.550 916 HG11 VAL 126 1HG1 VAL 126 4.932 7.675 19.405 917 HG12 VAL 126 2HG1 VAL 126 5.950 8.717 18.410 918 HG13 VAL 126 3HG1 VAL 126 4.198 8.741 18.209 919 HG21 VAL 126 1HG2 VAL 126 3.411 6.288 18.381 920 HG22 VAL 126 2HG2 VAL 126 3.377 6.098 16.628 921 HG23 VAL 126 3HG2 VAL 126 4.384 5.035 17.611 922 H SER 127 H SER 127 7.539 6.876 15.348 923 HA SER 127 HA SER 127 9.047 9.059 16.261 924 HB2 SER 127 1HB SER 127 9.816 6.670 15.612 925 HB3 SER 127 2HB SER 127 9.940 7.316 13.976 926 HG SER 127 HG SER 127 11.769 7.455 15.764 927 H LEU 128 H LEU 128 8.351 8.161 12.876 928 HA LEU 128 HA LEU 128 9.332 10.412 11.638 929 HB2 LEU 128 1HB LEU 128 7.080 8.559 10.962 930 HB3 LEU 128 2HB LEU 128 7.439 9.944 9.932 931 HG LEU 128 HG LEU 128 8.518 8.126 8.920 932 HD11 LEU 128 1HD1 LEU 128 10.901 8.971 10.420 933 HD12 LEU 128 2HD1 LEU 128 9.934 10.277 9.736 934 HD13 LEU 128 3HD1 LEU 128 10.571 9.011 8.688 935 HD21 LEU 128 1HD2 LEU 128 9.992 6.580 10.136 936 HD22 LEU 128 2HD2 LEU 128 8.333 6.527 10.733 937 HD23 LEU 128 3HD2 LEU 128 9.573 7.386 11.648 938 H GLU 129 H GLU 129 5.949 9.889 12.647 939 HA GLU 129 HA GLU 129 5.576 12.809 12.580 940 HB2 GLU 129 1HB GLU 129 3.624 10.540 12.220 941 HB3 GLU 129 2HB GLU 129 3.103 12.192 12.521 942 HG2 GLU 129 1HG GLU 129 4.547 11.092 10.140 943 HG3 GLU 129 2HG GLU 129 2.998 11.931 10.203 944 HA PRO 130 HA PRO 130 5.554 11.860 17.057 945 HB2 PRO 130 1HB PRO 130 6.488 14.304 17.786 946 HB3 PRO 130 2HB PRO 130 7.547 12.984 17.275 947 HG2 PRO 130 1HG PRO 130 6.548 15.327 15.703 948 HG3 PRO 130 2HG PRO 130 8.174 14.621 15.748 949 HD2 PRO 130 1HD PRO 130 6.421 14.116 13.747 950 HD3 PRO 130 2HD PRO 130 7.612 12.920 14.298 951 H LYS 131 H LYS 131 3.785 13.823 15.020 952 HA LYS 131 HA LYS 131 2.197 14.963 17.216 953 HB2 LYS 131 1HB LYS 131 2.539 15.739 14.331 954 HB3 LYS 131 2HB LYS 131 1.161 16.304 15.266 955 HG2 LYS 131 1HG LYS 131 3.875 16.686 16.408 956 HG3 LYS 131 2HG LYS 131 3.375 17.716 15.064 957 HD2 LYS 131 1HD LYS 131 2.614 18.977 16.809 958 HD3 LYS 131 2HD LYS 131 1.193 17.963 16.544 959 HE2 LYS 131 1HE LYS 131 1.742 16.556 18.362 960 HE3 LYS 131 2HE LYS 131 3.368 17.225 18.485 961 HZ1 LYS 131 1HZ LYS 131 1.634 19.355 18.780 962 HZ2 LYS 131 2HZ LYS 131 2.573 18.627 19.984 963 HZ3 LYS 131 3HZ LYS 131 0.983 18.111 19.724 964 H ASN 132 H ASN 132 1.936 13.157 14.179 965 HA ASN 132 HA ASN 132 -0.797 12.808 14.045 966 HB2 ASN 132 1HB ASN 132 1.532 11.141 13.172 967 HB3 ASN 132 2HB ASN 132 -0.095 10.480 13.036 968 HD21 ASN 132 1HD2 ASN 132 0.555 10.488 10.735 969 HD22 ASN 132 2HD2 ASN 132 0.245 11.916 9.814 970 H LYS 133 H LYS 133 -1.981 12.347 15.809 971 HA LYS 133 HA LYS 133 -1.145 10.544 17.850 972 HB2 LYS 133 1HB LYS 133 -3.596 12.118 17.248 973 HB3 LYS 133 2HB LYS 133 -3.767 10.747 18.336 974 HG2 LYS 133 1HG LYS 133 -2.534 11.719 19.984 975 HG3 LYS 133 2HG LYS 133 -1.556 12.658 18.853 976 HD2 LYS 133 1HD LYS 133 -2.846 14.322 19.759 977 HD3 LYS 133 2HD LYS 133 -3.852 13.860 18.384 978 HE2 LYS 133 1HE LYS 133 -5.384 12.749 19.713 979 HE3 LYS 133 2HE LYS 133 -4.229 12.510 21.023 980 HZ1 LYS 133 1HZ LYS 133 -5.988 14.735 20.507 981 HZ2 LYS 133 2HZ LYS 133 -4.407 15.192 20.897 982 HZ3 LYS 133 3HZ LYS 133 -5.293 14.219 21.960 983 H VAL 134 H VAL 134 -3.163 10.272 14.991 984 HA VAL 134 HA VAL 134 -4.630 8.058 15.268 985 HB VAL 134 HB VAL 134 -2.762 8.517 12.937 986 HG11 VAL 134 1HG1 VAL 134 -3.735 6.232 13.069 987 HG12 VAL 134 2HG1 VAL 134 -5.342 6.959 13.019 988 HG13 VAL 134 3HG1 VAL 134 -4.247 7.141 11.647 989 HG21 VAL 134 1HG2 VAL 134 -4.134 10.458 13.311 990 HG22 VAL 134 2HG2 VAL 134 -4.750 9.591 11.905 991 HG23 VAL 134 3HG2 VAL 134 -5.580 9.459 13.455 992 H PHE 135 H PHE 135 -1.134 8.135 15.227 993 HA PHE 135 HA PHE 135 -0.870 5.263 15.118 994 HB2 PHE 135 1HB PHE 135 1.214 7.366 15.741 995 HB3 PHE 135 2HB PHE 135 1.526 5.676 15.357 996 HD1 PHE 135 1HD PHE 135 -0.383 5.304 13.108 997 HD2 PHE 135 2HD PHE 135 2.288 8.493 14.008 998 HE1 PHE 135 1HE PHE 135 -0.260 5.870 10.717 999 HE2 PHE 135 2HE PHE 135 2.415 9.065 11.619 1000 HZ PHE 135 HZ PHE 135 1.139 7.754 9.970 1001 H GLN 136 H GLN 136 -0.233 7.782 17.553 1002 HA GLN 136 HA GLN 136 0.603 6.250 19.658 1003 HB2 GLN 136 1HB GLN 136 -1.248 8.637 19.748 1004 HB3 GLN 136 2HB GLN 136 -0.401 7.976 21.141 1005 HG2 GLN 136 1HG GLN 136 1.740 8.469 20.065 1006 HG3 GLN 136 2HG GLN 136 0.882 9.150 18.685 1007 HE21 GLN 136 1HE2 GLN 136 2.569 10.817 19.693 1008 HE22 GLN 136 2HE2 GLN 136 1.830 12.009 20.701 1009 H GLU 137 H GLU 137 -2.560 6.387 18.265 1010 HA GLU 137 HA GLU 137 -3.743 4.950 20.519 1011 HB2 GLU 137 1HB GLU 137 -5.282 5.584 18.043 1012 HB3 GLU 137 2HB GLU 137 -5.816 5.559 19.718 1013 HG2 GLU 137 1HG GLU 137 -3.903 7.637 18.728 1014 HG3 GLU 137 2HG GLU 137 -5.645 7.816 18.526 1015 H ALA 138 H ALA 138 -3.447 4.590 16.986 1016 HA ALA 138 HA ALA 138 -4.522 2.129 16.586 1017 HB1 ALA 138 1HB ALA 138 -2.438 3.703 15.276 1018 HB2 ALA 138 2HB ALA 138 -2.301 1.967 14.998 1019 HB3 ALA 138 3HB ALA 138 -3.793 2.811 14.584 1020 H LEU 139 H LEU 139 -1.560 2.861 18.255 1021 HA LEU 139 HA LEU 139 -0.430 0.260 18.191 1022 HB2 LEU 139 1HB LEU 139 0.567 2.607 18.854 1023 HB3 LEU 139 2HB LEU 139 0.066 2.113 20.470 1024 HG LEU 139 HG LEU 139 2.413 1.620 20.113 1025 HD11 LEU 139 1HD1 LEU 139 1.225 0.122 21.565 1026 HD12 LEU 139 2HD1 LEU 139 2.367 -0.811 20.598 1027 HD13 LEU 139 3HD1 LEU 139 0.651 -0.824 20.191 1028 HD21 LEU 139 1HD2 LEU 139 3.175 0.968 18.136 1029 HD22 LEU 139 2HD2 LEU 139 1.524 0.863 17.525 1030 HD23 LEU 139 3HD2 LEU 139 2.276 -0.543 18.280 1031 H ARG 140 H ARG 140 -2.038 1.997 20.864 1032 HA ARG 140 HA ARG 140 -2.244 -0.245 22.548 1033 HB2 ARG 140 1HB ARG 140 -3.822 2.327 22.453 1034 HB3 ARG 140 2HB ARG 140 -4.006 1.126 23.724 1035 HG2 ARG 140 1HG ARG 140 -2.524 2.542 24.716 1036 HG3 ARG 140 2HG ARG 140 -1.404 1.425 23.933 1037 HD2 ARG 140 1HD ARG 140 -1.004 2.939 22.151 1038 HD3 ARG 140 2HD ARG 140 -2.347 3.972 22.639 1039 HE ARG 140 HE ARG 140 -0.952 5.003 24.122 1040 HH11 ARG 140 2HH1 ARG 140 0.438 1.943 23.216 1041 HH12 ARG 140 1HH1 ARG 140 1.928 2.223 24.055 1042 HH21 ARG 140 2HH2 ARG 140 1.005 5.385 25.230 1043 HH22 ARG 140 1HH2 ARG 140 2.249 4.181 25.201 1044 H ASN 141 H ASN 141 -4.016 0.663 19.773 1045 HA ASN 141 HA ASN 141 -6.493 -0.577 20.379 1046 HB2 ASN 141 1HB ASN 141 -6.547 0.984 18.616 1047 HB3 ASN 141 2HB ASN 141 -5.159 0.257 17.813 1048 HD21 ASN 141 1HD2 ASN 141 -6.196 -0.012 15.870 1049 HD22 ASN 141 2HD2 ASN 141 -7.461 -1.165 15.633 1050 H ILE 142 H ILE 142 -3.469 -1.725 19.039 1051 HA ILE 142 HA ILE 142 -4.638 -4.396 18.669 1052 HB ILE 142 HB ILE 142 -2.927 -4.920 17.169 1053 HG12 ILE 142 1HG1 ILE 142 -1.427 -2.504 18.201 1054 HG13 ILE 142 2HG1 ILE 142 -1.034 -4.188 18.530 1055 HG21 ILE 142 1HG2 ILE 142 -3.139 -2.000 16.565 1056 HG22 ILE 142 2HG2 ILE 142 -3.194 -3.377 15.466 1057 HG23 ILE 142 3HG2 ILE 142 -4.572 -3.026 16.509 1058 HD11 ILE 142 1HD1 ILE 142 0.119 -4.371 16.645 1059 HD12 ILE 142 2HD1 ILE 142 -1.176 -3.643 15.693 1060 HD13 ILE 142 3HD1 ILE 142 -0.001 -2.616 16.515 1061 H SER 143 H SER 143 -2.431 -2.567 20.582 1062 HA SER 143 HA SER 143 -0.864 -4.726 21.566 1063 HB2 SER 143 1HB SER 143 -0.297 -2.232 21.642 1064 HB3 SER 143 2HB SER 143 -1.377 -2.139 23.032 1065 HG SER 143 HG SER 143 1.038 -3.578 22.765 1066 H GLY 144 H GLY 144 -3.931 -3.321 22.471 1067 HA2 GLY 144 1HA GLY 144 -5.447 -3.853 24.117 1068 HA3 GLY 144 2HA GLY 144 -4.907 -5.501 23.833 1069 HA PRO 145 HA PRO 145 -3.999 -4.542 28.246 1070 HB2 PRO 145 1HB PRO 145 -4.735 -6.991 29.155 1071 HB3 PRO 145 2HB PRO 145 -5.886 -5.673 28.908 1072 HG2 PRO 145 1HG PRO 145 -5.268 -8.006 27.136 1073 HG3 PRO 145 2HG PRO 145 -6.843 -7.305 27.555 1074 HD2 PRO 145 1HD PRO 145 -5.595 -6.785 25.209 1075 HD3 PRO 145 2HD PRO 145 -6.631 -5.595 26.024 1076 H SER 146 H SER 146 -2.470 -5.588 29.705 1077 HA SER 146 HA SER 146 -0.375 -6.985 28.204 1078 HB2 SER 146 1HB SER 146 0.297 -4.916 29.337 1079 HB3 SER 146 2HB SER 146 -0.253 -5.570 30.880 1080 HG SER 146 HG SER 146 1.676 -6.368 31.036 1081 H SER 147 H SER 147 0.270 -9.006 28.680 1082 HA SER 147 HA SER 147 -0.793 -10.275 31.110 1083 HB2 SER 147 1HB SER 147 -0.880 -11.363 28.292 1084 HB3 SER 147 2HB SER 147 -1.112 -12.371 29.721 1085 HG SER 147 HG SER 147 -2.797 -10.706 30.255 1086 H GLY 148 H GLY 148 0.338 -12.389 31.573 1087 HA2 GLY 148 1HA GLY 148 2.258 -13.724 31.621 1088 HA3 GLY 148 2HA GLY 148 3.024 -12.623 30.485 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -47.326 48.649 -22.223 2 HA2 GLY 1 1HA GLY 1 -46.310 47.393 -24.157 3 HA3 GLY 1 2HA GLY 1 -45.277 47.450 -22.736 4 H SER 2 H SER 2 -45.165 45.461 -24.754 5 HA SER 2 HA SER 2 -45.336 43.122 -23.100 6 HB2 SER 2 1HB SER 2 -47.176 43.427 -25.476 7 HB3 SER 2 2HB SER 2 -46.751 41.858 -24.792 8 HG SER 2 HG SER 2 -48.728 42.834 -23.967 9 H SER 3 H SER 3 -43.831 41.656 -23.675 10 HA SER 3 HA SER 3 -42.827 41.500 -26.379 11 HB2 SER 3 1HB SER 3 -41.032 42.438 -24.128 12 HB3 SER 3 2HB SER 3 -40.474 41.959 -25.730 13 HG SER 3 HG SER 3 -40.742 44.225 -25.555 14 H GLY 4 H GLY 4 -40.993 39.849 -26.494 15 HA2 GLY 4 1HA GLY 4 -40.538 38.012 -24.415 16 HA3 GLY 4 2HA GLY 4 -41.877 37.425 -25.391 17 H SER 5 H SER 5 -41.016 38.303 -27.912 18 HA SER 5 HA SER 5 -39.686 36.252 -28.985 19 HB2 SER 5 1HB SER 5 -39.277 39.157 -29.730 20 HB3 SER 5 2HB SER 5 -38.814 37.790 -30.743 21 HG SER 5 HG SER 5 -41.404 38.617 -29.973 22 H SER 6 H SER 6 -37.576 35.601 -29.404 23 HA SER 6 HA SER 6 -35.311 37.070 -28.450 24 HB2 SER 6 1HB SER 6 -36.261 36.096 -26.334 25 HB3 SER 6 2HB SER 6 -35.958 34.493 -27.003 26 HG SER 6 HG SER 6 -33.929 34.704 -26.515 27 H GLY 7 H GLY 7 -33.270 35.703 -28.643 28 HA2 GLY 7 1HA GLY 7 -32.652 33.421 -29.696 29 HA3 GLY 7 2HA GLY 7 -33.536 34.065 -31.072 30 H MET 8 H MET 8 -30.671 33.292 -30.697 31 HA MET 8 HA MET 8 -29.528 35.369 -32.239 32 HB2 MET 8 1HB MET 8 -27.866 36.213 -30.685 33 HB3 MET 8 2HB MET 8 -29.479 36.505 -30.047 34 HG2 MET 8 1HG MET 8 -28.440 35.743 -28.175 35 HG3 MET 8 2HG MET 8 -29.057 34.225 -28.821 36 HE1 MET 8 1HE MET 8 -26.405 34.180 -26.675 37 HE2 MET 8 2HE MET 8 -27.598 33.034 -27.287 38 HE3 MET 8 3HE MET 8 -25.877 32.725 -27.521 39 H THR 9 H THR 9 -27.778 34.632 -33.327 40 HA THR 9 HA THR 9 -26.449 32.202 -32.344 41 HB THR 9 HB THR 9 -26.423 31.268 -34.625 42 HG1 THR 9 1HG THR 9 -26.787 33.396 -35.643 43 HG21 THR 9 1HG2 THR 9 -28.498 30.284 -34.474 44 HG22 THR 9 2HG2 THR 9 -29.305 31.798 -34.065 45 HG23 THR 9 3HG2 THR 9 -28.342 30.956 -32.851 46 H VAL 10 H VAL 10 -24.345 31.809 -33.320 47 HA VAL 10 HA VAL 10 -23.069 34.310 -34.218 48 HB VAL 10 HB VAL 10 -22.301 33.557 -32.000 49 HG11 VAL 10 1HG1 VAL 10 -22.661 31.105 -32.538 50 HG12 VAL 10 2HG1 VAL 10 -21.105 31.162 -33.369 51 HG13 VAL 10 3HG1 VAL 10 -21.197 31.505 -31.641 52 HG21 VAL 10 1HG2 VAL 10 -20.069 33.119 -33.958 53 HG22 VAL 10 2HG2 VAL 10 -20.818 34.701 -33.748 54 HG23 VAL 10 3HG2 VAL 10 -20.019 33.916 -32.386 55 H SER 11 H SER 11 -21.696 34.271 -35.955 56 HA SER 11 HA SER 11 -20.761 31.860 -37.158 57 HB2 SER 11 1HB SER 11 -23.259 32.028 -37.806 58 HB3 SER 11 2HB SER 11 -22.753 33.356 -38.850 59 HG SER 11 HG SER 11 -21.082 31.623 -39.513 60 H GLY 12 H GLY 12 -19.105 32.245 -38.567 61 HA2 GLY 12 1HA GLY 12 -18.732 34.651 -40.005 62 HA3 GLY 12 2HA GLY 12 -17.806 34.712 -38.513 63 HA PRO 13 HA PRO 13 -15.708 32.194 -42.016 64 HB2 PRO 13 1HB PRO 13 -14.127 34.117 -43.100 65 HB3 PRO 13 2HB PRO 13 -15.747 33.751 -43.706 66 HG2 PRO 13 1HG PRO 13 -14.860 35.950 -41.878 67 HG3 PRO 13 2HG PRO 13 -15.989 36.017 -43.243 68 HD2 PRO 13 1HD PRO 13 -16.821 35.902 -40.669 69 HD3 PRO 13 2HD PRO 13 -17.737 35.170 -42.002 70 H GLY 14 H GLY 14 -13.760 31.250 -41.614 71 HA2 GLY 14 1HA GLY 14 -11.611 30.995 -40.766 72 HA3 GLY 14 2HA GLY 14 -11.682 32.646 -40.167 73 H THR 15 H THR 15 -12.937 29.384 -39.553 74 HA THR 15 HA THR 15 -12.874 30.014 -36.674 75 HB THR 15 HB THR 15 -14.896 28.254 -38.075 76 HG1 THR 15 1HG THR 15 -15.515 30.583 -36.612 77 HG21 THR 15 1HG2 THR 15 -14.122 27.641 -35.700 78 HG22 THR 15 2HG2 THR 15 -15.854 27.806 -35.986 79 HG23 THR 15 3HG2 THR 15 -14.963 29.106 -35.196 80 HA PRO 16 HA PRO 16 -10.150 26.553 -36.384 81 HB2 PRO 16 1HB PRO 16 -10.338 26.139 -33.708 82 HB3 PRO 16 2HB PRO 16 -9.433 27.485 -34.411 83 HG2 PRO 16 1HG PRO 16 -12.191 27.459 -33.245 84 HG3 PRO 16 2HG PRO 16 -10.898 28.655 -33.035 85 HD2 PRO 16 1HD PRO 16 -12.969 29.032 -34.739 86 HD3 PRO 16 2HD PRO 16 -11.345 29.678 -35.052 87 H GLU 17 H GLU 17 -10.149 24.297 -35.892 88 HA GLU 17 HA GLU 17 -12.857 23.154 -35.739 89 HB2 GLU 17 1HB GLU 17 -10.363 22.309 -37.160 90 HB3 GLU 17 2HB GLU 17 -11.535 21.087 -36.686 91 HG2 GLU 17 1HG GLU 17 -11.927 21.762 -38.961 92 HG3 GLU 17 2HG GLU 17 -13.270 22.282 -37.943 93 HA PRO 18 HA PRO 18 -11.884 21.325 -31.857 94 HB2 PRO 18 1HB PRO 18 -13.643 19.257 -31.896 95 HB3 PRO 18 2HB PRO 18 -14.139 20.935 -31.646 96 HG2 PRO 18 1HG PRO 18 -14.221 19.288 -34.145 97 HG3 PRO 18 2HG PRO 18 -15.442 20.399 -33.496 98 HD2 PRO 18 1HD PRO 18 -13.755 21.096 -35.496 99 HD3 PRO 18 2HD PRO 18 -14.355 22.265 -34.303 100 H ARG 19 H ARG 19 -10.606 19.733 -31.011 101 HA ARG 19 HA ARG 19 -9.495 17.810 -32.928 102 HB2 ARG 19 1HB ARG 19 -8.438 19.157 -30.481 103 HB3 ARG 19 2HB ARG 19 -7.783 17.587 -30.927 104 HG2 ARG 19 1HG ARG 19 -6.922 18.390 -32.947 105 HG3 ARG 19 2HG ARG 19 -7.919 19.846 -32.892 106 HD2 ARG 19 1HD ARG 19 -5.875 20.681 -32.251 107 HD3 ARG 19 2HD ARG 19 -6.598 20.311 -30.686 108 HE ARG 19 HE ARG 19 -4.352 18.979 -31.931 109 HH11 ARG 19 2HH1 ARG 19 -6.819 18.857 -29.478 110 HH12 ARG 19 1HH1 ARG 19 -5.972 17.707 -28.498 111 HH21 ARG 19 2HH2 ARG 19 -3.226 17.465 -30.650 112 HH22 ARG 19 1HH2 ARG 19 -3.928 16.916 -29.165 113 HA PRO 20 HA PRO 20 -11.446 14.422 -30.906 114 HB2 PRO 20 1HB PRO 20 -9.739 12.440 -31.633 115 HB3 PRO 20 2HB PRO 20 -10.880 13.185 -32.758 116 HG2 PRO 20 1HG PRO 20 -7.959 13.725 -32.388 117 HG3 PRO 20 2HG PRO 20 -8.886 13.566 -33.892 118 HD2 PRO 20 1HD PRO 20 -8.190 15.969 -32.856 119 HD3 PRO 20 2HD PRO 20 -9.691 15.723 -33.770 120 H ALA 21 H ALA 21 -10.510 12.291 -29.689 121 HA ALA 21 HA ALA 21 -8.562 13.237 -27.691 122 HB1 ALA 21 1HB ALA 21 -10.246 13.282 -26.227 123 HB2 ALA 21 2HB ALA 21 -11.323 12.396 -27.306 124 HB3 ALA 21 3HB ALA 21 -10.183 11.521 -26.285 125 H THR 22 H THR 22 -8.032 11.182 -26.206 126 HA THR 22 HA THR 22 -7.949 8.646 -27.465 127 HB THR 22 HB THR 22 -6.323 9.761 -28.936 128 HG1 THR 22 1HG THR 22 -4.831 8.054 -27.247 129 HG21 THR 22 1HG2 THR 22 -4.190 10.549 -28.066 130 HG22 THR 22 2HG2 THR 22 -4.701 10.170 -26.421 131 HG23 THR 22 3HG2 THR 22 -5.518 11.444 -27.326 132 HA PRO 23 HA PRO 23 -7.141 7.611 -23.258 133 HB2 PRO 23 1HB PRO 23 -6.438 5.012 -23.602 134 HB3 PRO 23 2HB PRO 23 -8.106 5.581 -23.733 135 HG2 PRO 23 1HG PRO 23 -6.126 5.001 -25.903 136 HG3 PRO 23 2HG PRO 23 -7.850 4.591 -25.822 137 HD2 PRO 23 1HD PRO 23 -6.918 6.697 -27.247 138 HD3 PRO 23 2HD PRO 23 -8.511 6.705 -26.463 139 H GLY 24 H GLY 24 -5.340 8.724 -22.588 140 HA2 GLY 24 1HA GLY 24 -2.727 7.512 -23.250 141 HA3 GLY 24 2HA GLY 24 -2.956 9.224 -22.928 142 H ALA 25 H ALA 25 -3.081 6.013 -21.459 143 HA ALA 25 HA ALA 25 -2.470 7.278 -18.867 144 HB1 ALA 25 1HB ALA 25 -3.764 4.625 -18.832 145 HB2 ALA 25 2HB ALA 25 -3.985 6.014 -17.767 146 HB3 ALA 25 3HB ALA 25 -4.770 5.980 -19.346 147 H SER 26 H SER 26 -0.421 6.636 -20.552 148 HA SER 26 HA SER 26 0.614 4.064 -19.578 149 HB2 SER 26 1HB SER 26 1.099 5.695 -22.025 150 HB3 SER 26 2HB SER 26 2.437 4.728 -21.407 151 HG SER 26 HG SER 26 0.404 3.910 -22.865 152 H SER 27 H SER 27 1.270 7.508 -19.709 153 HA SER 27 HA SER 27 3.889 7.438 -18.661 154 HB2 SER 27 1HB SER 27 1.779 9.522 -18.978 155 HB3 SER 27 2HB SER 27 3.115 9.864 -17.879 156 HG SER 27 HG SER 27 3.457 8.997 -20.557 157 H VAL 28 H VAL 28 4.502 6.742 -16.734 158 HA VAL 28 HA VAL 28 2.830 6.040 -14.633 159 HB VAL 28 HB VAL 28 5.041 5.147 -14.686 160 HG11 VAL 28 1HG1 VAL 28 6.755 6.370 -15.386 161 HG12 VAL 28 2HG1 VAL 28 5.782 7.838 -15.275 162 HG13 VAL 28 3HG1 VAL 28 6.704 7.282 -13.877 163 HG21 VAL 28 1HG2 VAL 28 5.361 5.108 -12.456 164 HG22 VAL 28 2HG2 VAL 28 5.450 6.865 -12.331 165 HG23 VAL 28 3HG2 VAL 28 3.880 6.066 -12.422 166 H GLU 29 H GLU 29 4.072 9.138 -15.523 167 HA GLU 29 HA GLU 29 3.668 10.369 -12.957 168 HB2 GLU 29 1HB GLU 29 5.349 11.267 -14.458 169 HB3 GLU 29 2HB GLU 29 4.135 11.555 -15.697 170 HG2 GLU 29 1HG GLU 29 3.144 13.300 -14.465 171 HG3 GLU 29 2HG GLU 29 4.024 12.866 -13.000 172 H GLN 30 H GLN 30 1.956 10.378 -16.068 173 HA GLN 30 HA GLN 30 -0.211 11.960 -15.001 174 HB2 GLN 30 1HB GLN 30 0.300 12.351 -17.287 175 HB3 GLN 30 2HB GLN 30 0.274 10.633 -17.662 176 HG2 GLN 30 1HG GLN 30 -1.720 11.395 -18.543 177 HG3 GLN 30 2HG GLN 30 -2.201 10.736 -16.980 178 HE21 GLN 30 1HE2 GLN 30 -2.339 12.311 -15.189 179 HE22 GLN 30 2HE2 GLN 30 -2.933 13.894 -15.545 180 H LEU 31 H LEU 31 -0.169 8.768 -16.597 181 HA LEU 31 HA LEU 31 -2.603 7.809 -16.070 182 HB2 LEU 31 1HB LEU 31 -1.785 5.692 -16.338 183 HB3 LEU 31 2HB LEU 31 -0.453 6.644 -16.990 184 HG LEU 31 HG LEU 31 0.570 6.438 -14.636 185 HD11 LEU 31 1HD1 LEU 31 -0.700 3.861 -14.256 186 HD12 LEU 31 2HD1 LEU 31 -1.843 5.195 -14.110 187 HD13 LEU 31 3HD1 LEU 31 -0.399 5.156 -13.098 188 HD21 LEU 31 1HD2 LEU 31 1.300 5.288 -16.759 189 HD22 LEU 31 2HD2 LEU 31 0.352 3.897 -16.233 190 HD23 LEU 31 3HD2 LEU 31 1.710 4.458 -15.257 191 H ARG 32 H ARG 32 -0.014 8.067 -13.682 192 HA ARG 32 HA ARG 32 -0.827 6.707 -11.538 193 HB2 ARG 32 1HB ARG 32 1.052 8.370 -11.612 194 HB3 ARG 32 2HB ARG 32 -0.135 9.642 -11.353 195 HG2 ARG 32 1HG ARG 32 -0.773 8.169 -9.271 196 HG3 ARG 32 2HG ARG 32 0.876 7.576 -9.472 197 HD2 ARG 32 1HD ARG 32 1.814 9.608 -8.972 198 HD3 ARG 32 2HD ARG 32 0.404 10.514 -9.520 199 HE ARG 32 HE ARG 32 -0.186 8.964 -7.210 200 HH11 ARG 32 2HH1 ARG 32 1.364 11.894 -8.273 201 HH12 ARG 32 1HH1 ARG 32 1.133 12.718 -6.767 202 HH21 ARG 32 2HH2 ARG 32 -0.498 10.038 -5.222 203 HH22 ARG 32 1HH2 ARG 32 0.074 11.661 -5.032 204 H LYS 33 H LYS 33 -2.166 9.916 -12.330 205 HA LYS 33 HA LYS 33 -3.987 10.294 -10.379 206 HB2 LYS 33 1HB LYS 33 -4.449 10.716 -13.337 207 HB3 LYS 33 2HB LYS 33 -5.438 11.415 -12.061 208 HG2 LYS 33 1HG LYS 33 -2.482 11.901 -12.235 209 HG3 LYS 33 2HG LYS 33 -3.658 12.897 -13.096 210 HD2 LYS 33 1HD LYS 33 -3.979 12.404 -10.164 211 HD3 LYS 33 2HD LYS 33 -2.831 13.618 -10.732 212 HE2 LYS 33 1HE LYS 33 -4.478 14.980 -11.565 213 HE3 LYS 33 2HE LYS 33 -5.596 13.644 -11.836 214 HZ1 LYS 33 1HZ LYS 33 -4.878 14.808 -9.200 215 HZ2 LYS 33 2HZ LYS 33 -5.919 13.496 -9.435 216 HZ3 LYS 33 3HZ LYS 33 -6.343 15.026 -10.018 217 H GLU 34 H GLU 34 -4.532 8.275 -13.258 218 HA GLU 34 HA GLU 34 -7.116 7.489 -12.888 219 HB2 GLU 34 1HB GLU 34 -5.848 6.756 -14.806 220 HB3 GLU 34 2HB GLU 34 -4.773 5.808 -13.787 221 HG2 GLU 34 1HG GLU 34 -6.282 4.126 -13.512 222 HG3 GLU 34 2HG GLU 34 -7.673 5.191 -13.701 223 H GLY 35 H GLY 35 -4.252 6.155 -11.279 224 HA2 GLY 35 1HA GLY 35 -5.522 4.077 -9.892 225 HA3 GLY 35 2HA GLY 35 -4.033 4.866 -9.394 226 H ASN 36 H ASN 36 -4.520 7.222 -8.536 227 HA ASN 36 HA ASN 36 -5.883 6.929 -6.115 228 HB2 ASN 36 1HB ASN 36 -5.498 9.634 -7.351 229 HB3 ASN 36 2HB ASN 36 -5.308 9.142 -5.671 230 HD21 ASN 36 1HD2 ASN 36 -3.505 10.578 -7.511 231 HD22 ASN 36 2HD2 ASN 36 -2.031 9.676 -7.505 232 H GLU 37 H GLU 37 -6.838 8.884 -8.945 233 HA GLU 37 HA GLU 37 -9.241 9.843 -8.202 234 HB2 GLU 37 1HB GLU 37 -8.463 8.620 -10.845 235 HB3 GLU 37 2HB GLU 37 -9.995 9.448 -10.602 236 HG2 GLU 37 1HG GLU 37 -7.485 10.854 -9.858 237 HG3 GLU 37 2HG GLU 37 -7.900 10.699 -11.564 238 H LEU 38 H LEU 38 -8.608 6.518 -9.224 239 HA LEU 38 HA LEU 38 -11.331 5.686 -9.071 240 HB2 LEU 38 1HB LEU 38 -8.729 4.182 -9.159 241 HB3 LEU 38 2HB LEU 38 -10.294 3.376 -9.087 242 HG LEU 38 HG LEU 38 -9.561 5.294 -11.287 243 HD11 LEU 38 1HD1 LEU 38 -9.195 2.302 -11.212 244 HD12 LEU 38 2HD1 LEU 38 -7.920 3.516 -11.315 245 HD13 LEU 38 3HD1 LEU 38 -9.053 3.313 -12.651 246 HD21 LEU 38 1HD2 LEU 38 -11.582 4.852 -12.110 247 HD22 LEU 38 2HD2 LEU 38 -11.963 4.138 -10.543 248 HD23 LEU 38 3HD2 LEU 38 -11.387 3.117 -11.862 249 H PHE 39 H PHE 39 -8.610 5.686 -6.849 250 HA PHE 39 HA PHE 39 -9.802 4.053 -4.862 251 HB2 PHE 39 1HB PHE 39 -7.328 4.677 -5.126 252 HB3 PHE 39 2HB PHE 39 -7.744 6.186 -4.322 253 HD1 PHE 39 1HD PHE 39 -7.717 2.509 -3.920 254 HD2 PHE 39 2HD PHE 39 -7.958 6.295 -1.990 255 HE1 PHE 39 1HE PHE 39 -7.460 1.408 -1.735 256 HE2 PHE 39 2HE PHE 39 -7.700 5.200 0.198 257 HZ PHE 39 HZ PHE 39 -7.449 2.753 0.328 258 H LYS 40 H LYS 40 -9.410 7.586 -5.090 259 HA LYS 40 HA LYS 40 -10.775 8.281 -2.772 260 HB2 LYS 40 1HB LYS 40 -11.206 10.469 -3.950 261 HB3 LYS 40 2HB LYS 40 -9.525 9.957 -3.909 262 HG2 LYS 40 1HG LYS 40 -9.865 9.030 -6.222 263 HG3 LYS 40 2HG LYS 40 -11.429 9.848 -6.231 264 HD2 LYS 40 1HD LYS 40 -10.054 11.406 -7.252 265 HD3 LYS 40 2HD LYS 40 -10.043 11.945 -5.571 266 HE2 LYS 40 1HE LYS 40 -7.955 10.094 -6.693 267 HE3 LYS 40 2HE LYS 40 -7.800 11.849 -6.764 268 HZ1 LYS 40 1HZ LYS 40 -6.819 11.583 -4.784 269 HZ2 LYS 40 2HZ LYS 40 -7.504 10.061 -4.513 270 HZ3 LYS 40 3HZ LYS 40 -8.395 11.460 -4.182 271 H CYS 41 H CYS 41 -11.985 6.832 -5.572 272 HA CYS 41 HA CYS 41 -14.719 7.756 -5.030 273 HB2 CYS 41 1HB CYS 41 -13.894 7.985 -7.356 274 HB3 CYS 41 2HB CYS 41 -13.659 6.242 -7.425 275 HG CYS 41 HG CYS 41 -16.193 7.757 -8.473 276 H GLY 42 H GLY 42 -12.625 5.011 -4.879 277 HA2 GLY 42 1HA GLY 42 -13.366 3.301 -3.243 278 HA3 GLY 42 2HA GLY 42 -14.924 3.347 -4.054 279 H ASP 43 H ASP 43 -13.648 3.533 -6.715 280 HA ASP 43 HA ASP 43 -13.659 0.843 -7.413 281 HB2 ASP 43 1HB ASP 43 -12.285 3.125 -8.849 282 HB3 ASP 43 2HB ASP 43 -12.681 1.561 -9.556 283 H TYR 44 H TYR 44 -12.339 -0.340 -6.018 284 HA TYR 44 HA TYR 44 -9.525 0.245 -5.802 285 HB2 TYR 44 1HB TYR 44 -10.949 -2.266 -4.913 286 HB3 TYR 44 2HB TYR 44 -9.411 -1.641 -4.328 287 HD1 TYR 44 1HD TYR 44 -9.793 1.049 -3.615 288 HD2 TYR 44 2HD TYR 44 -12.594 -2.139 -3.311 289 HE1 TYR 44 1HE TYR 44 -10.963 2.256 -1.819 290 HE2 TYR 44 2HE TYR 44 -13.772 -0.941 -1.515 291 HH TYR 44 HH TYR 44 -13.607 0.779 -0.033 292 H GLY 45 H GLY 45 -11.501 -2.303 -7.303 293 HA2 GLY 45 1HA GLY 45 -9.545 -3.948 -8.309 294 HA3 GLY 45 2HA GLY 45 -11.070 -3.639 -9.126 295 H GLY 46 H GLY 46 -10.588 -0.830 -9.580 296 HA2 GLY 46 1HA GLY 46 -8.892 -1.112 -11.926 297 HA3 GLY 46 2HA GLY 46 -9.928 0.255 -11.544 298 H ALA 47 H ALA 47 -9.084 1.097 -9.136 299 HA ALA 47 HA ALA 47 -6.997 2.757 -9.570 300 HB1 ALA 47 1HB ALA 47 -7.633 1.419 -6.944 301 HB2 ALA 47 2HB ALA 47 -6.684 2.892 -7.145 302 HB3 ALA 47 3HB ALA 47 -8.392 2.878 -7.581 303 H LEU 48 H LEU 48 -6.751 -0.559 -8.340 304 HA LEU 48 HA LEU 48 -3.979 -0.570 -7.893 305 HB2 LEU 48 1HB LEU 48 -5.632 -2.264 -7.084 306 HB3 LEU 48 2HB LEU 48 -5.677 -2.917 -8.720 307 HG LEU 48 HG LEU 48 -4.205 -4.061 -6.919 308 HD11 LEU 48 1HD1 LEU 48 -3.190 -5.104 -8.626 309 HD12 LEU 48 2HD1 LEU 48 -2.547 -3.605 -9.297 310 HD13 LEU 48 3HD1 LEU 48 -4.213 -4.076 -9.630 311 HD21 LEU 48 1HD2 LEU 48 -3.136 -1.724 -6.458 312 HD22 LEU 48 2HD2 LEU 48 -2.128 -2.129 -7.848 313 HD23 LEU 48 3HD2 LEU 48 -2.137 -3.177 -6.429 314 H ALA 49 H ALA 49 -5.852 -1.707 -10.700 315 HA ALA 49 HA ALA 49 -3.871 -2.640 -12.324 316 HB1 ALA 49 1HB ALA 49 -5.349 -1.491 -14.202 317 HB2 ALA 49 2HB ALA 49 -5.913 -2.897 -13.298 318 HB3 ALA 49 3HB ALA 49 -6.457 -1.282 -12.846 319 H ALA 50 H ALA 50 -4.914 0.756 -12.079 320 HA ALA 50 HA ALA 50 -3.185 1.873 -13.931 321 HB1 ALA 50 1HB ALA 50 -4.040 3.812 -13.229 322 HB2 ALA 50 2HB ALA 50 -5.036 2.838 -12.147 323 HB3 ALA 50 3HB ALA 50 -3.525 3.538 -11.564 324 H TYR 51 H TYR 51 -2.650 1.473 -10.429 325 HA TYR 51 HA TYR 51 -0.114 2.549 -10.252 326 HB2 TYR 51 1HB TYR 51 -1.350 0.250 -8.732 327 HB3 TYR 51 2HB TYR 51 0.196 0.973 -8.302 328 HD1 TYR 51 1HD TYR 51 -0.326 3.833 -8.699 329 HD2 TYR 51 2HD TYR 51 -2.802 0.816 -7.005 330 HE1 TYR 51 1HE TYR 51 -1.493 5.544 -7.370 331 HE2 TYR 51 2HE TYR 51 -3.976 2.518 -5.673 332 HH TYR 51 HH TYR 51 -3.258 4.961 -4.766 333 H THR 52 H THR 52 -1.049 -0.758 -11.107 334 HA THR 52 HA THR 52 1.370 -2.029 -11.182 335 HB THR 52 HB THR 52 -0.838 -2.306 -13.231 336 HG1 THR 52 1HG THR 52 -1.047 -2.713 -10.738 337 HG21 THR 52 1HG2 THR 52 0.082 -4.636 -13.443 338 HG22 THR 52 2HG2 THR 52 1.485 -4.094 -12.521 339 HG23 THR 52 3HG2 THR 52 1.123 -3.367 -14.086 340 H GLN 53 H GLN 53 -0.095 -0.366 -13.983 341 HA GLN 53 HA GLN 53 2.016 -0.576 -15.738 342 HB2 GLN 53 1HB GLN 53 0.425 1.962 -15.604 343 HB3 GLN 53 2HB GLN 53 0.993 1.085 -17.018 344 HG2 GLN 53 1HG GLN 53 -0.636 -0.769 -16.074 345 HG3 GLN 53 2HG GLN 53 -1.409 0.636 -15.341 346 HE21 GLN 53 1HE2 GLN 53 -2.416 2.144 -16.637 347 HE22 GLN 53 2HE2 GLN 53 -2.757 1.860 -18.307 348 H ALA 54 H ALA 54 1.325 2.337 -13.793 349 HA ALA 54 HA ALA 54 3.491 3.858 -14.257 350 HB1 ALA 54 1HB ALA 54 2.159 4.889 -12.746 351 HB2 ALA 54 2HB ALA 54 1.848 3.406 -11.842 352 HB3 ALA 54 3HB ALA 54 3.367 4.272 -11.618 353 H LEU 55 H LEU 55 3.427 1.112 -12.006 354 HA LEU 55 HA LEU 55 6.120 1.368 -11.172 355 HB2 LEU 55 1HB LEU 55 4.051 -0.774 -11.027 356 HB3 LEU 55 2HB LEU 55 5.724 -1.170 -10.639 357 HG LEU 55 HG LEU 55 4.237 1.055 -9.266 358 HD11 LEU 55 1HD1 LEU 55 4.360 -1.865 -8.549 359 HD12 LEU 55 2HD1 LEU 55 2.925 -0.882 -8.835 360 HD13 LEU 55 3HD1 LEU 55 3.921 -0.593 -7.409 361 HD21 LEU 55 1HD2 LEU 55 6.763 0.899 -9.214 362 HD22 LEU 55 2HD2 LEU 55 6.558 -0.594 -8.298 363 HD23 LEU 55 3HD2 LEU 55 5.950 0.929 -7.648 364 H GLY 56 H GLY 56 4.548 -0.567 -13.691 365 HA2 GLY 56 1HA GLY 56 6.611 -2.185 -14.507 366 HA3 GLY 56 2HA GLY 56 5.420 -1.501 -15.604 367 H LEU 57 H LEU 57 6.039 1.174 -15.521 368 HA LEU 57 HA LEU 57 8.231 1.311 -17.293 369 HB2 LEU 57 1HB LEU 57 6.863 3.531 -15.779 370 HB3 LEU 57 2HB LEU 57 7.936 3.739 -17.162 371 HG LEU 57 HG LEU 57 5.281 2.310 -17.250 372 HD11 LEU 57 1HD1 LEU 57 6.015 5.147 -17.498 373 HD12 LEU 57 2HD1 LEU 57 4.472 4.401 -17.082 374 HD13 LEU 57 3HD1 LEU 57 4.969 4.517 -18.771 375 HD21 LEU 57 1HD2 LEU 57 5.774 2.934 -19.775 376 HD22 LEU 57 2HD2 LEU 57 6.375 1.442 -19.051 377 HD23 LEU 57 3HD2 LEU 57 7.444 2.836 -19.216 378 H ASP 58 H ASP 58 10.184 2.602 -17.019 379 HA ASP 58 HA ASP 58 11.494 1.966 -14.532 380 HB2 ASP 58 1HB ASP 58 12.461 3.344 -17.042 381 HB3 ASP 58 2HB ASP 58 13.488 3.014 -15.650 382 H ALA 59 H ALA 59 9.460 3.684 -13.963 383 HA ALA 59 HA ALA 59 10.047 6.416 -13.995 384 HB1 ALA 59 1HB ALA 59 8.259 6.696 -12.558 385 HB2 ALA 59 2HB ALA 59 7.877 5.155 -13.327 386 HB3 ALA 59 3HB ALA 59 8.571 5.184 -11.706 387 H THR 60 H THR 60 10.635 7.790 -12.154 388 HA THR 60 HA THR 60 13.141 7.283 -11.147 389 HB THR 60 HB THR 60 12.317 8.946 -9.239 390 HG1 THR 60 1HG THR 60 10.461 9.570 -11.279 391 HG21 THR 60 1HG2 THR 60 13.908 9.722 -10.766 392 HG22 THR 60 2HG2 THR 60 12.542 10.811 -11.007 393 HG23 THR 60 3HG2 THR 60 12.833 9.496 -12.144 394 HA PRO 61 HA PRO 61 12.790 4.524 -7.751 395 HB2 PRO 61 1HB PRO 61 14.646 5.517 -6.036 396 HB3 PRO 61 2HB PRO 61 15.072 4.676 -7.531 397 HG2 PRO 61 1HG PRO 61 14.955 7.616 -6.978 398 HG3 PRO 61 2HG PRO 61 16.178 6.693 -7.870 399 HD2 PRO 61 1HD PRO 61 14.233 8.111 -9.110 400 HD3 PRO 61 2HD PRO 61 14.901 6.613 -9.788 401 H GLN 62 H GLN 62 12.236 7.903 -7.282 402 HA GLN 62 HA GLN 62 11.311 7.612 -4.554 403 HB2 GLN 62 1HB GLN 62 11.279 9.957 -6.459 404 HB3 GLN 62 2HB GLN 62 10.700 10.028 -4.800 405 HG2 GLN 62 1HG GLN 62 13.501 9.217 -5.517 406 HG3 GLN 62 2HG GLN 62 13.029 10.888 -5.211 407 HE21 GLN 62 1HE2 GLN 62 13.858 7.879 -3.841 408 HE22 GLN 62 2HE2 GLN 62 13.695 8.326 -2.181 409 H ASP 63 H ASP 63 9.966 7.781 -7.772 410 HA ASP 63 HA ASP 63 7.261 8.194 -6.927 411 HB2 ASP 63 1HB ASP 63 8.628 7.581 -9.508 412 HB3 ASP 63 2HB ASP 63 6.900 7.264 -9.387 413 H GLN 64 H GLN 64 9.235 5.397 -7.766 414 HA GLN 64 HA GLN 64 7.238 3.457 -7.885 415 HB2 GLN 64 1HB GLN 64 10.136 3.306 -7.075 416 HB3 GLN 64 2HB GLN 64 9.111 1.880 -7.155 417 HG2 GLN 64 1HG GLN 64 8.871 2.028 -9.464 418 HG3 GLN 64 2HG GLN 64 9.383 3.715 -9.501 419 HE21 GLN 64 1HE2 GLN 64 10.767 2.835 -11.238 420 HE22 GLN 64 2HE2 GLN 64 12.304 2.182 -10.799 421 H ALA 65 H ALA 65 9.288 4.327 -5.099 422 HA ALA 65 HA ALA 65 8.272 2.682 -3.178 423 HB1 ALA 65 1HB ALA 65 10.095 4.510 -3.029 424 HB2 ALA 65 2HB ALA 65 8.772 5.555 -2.509 425 HB3 ALA 65 3HB ALA 65 9.168 4.107 -1.584 426 H VAL 66 H VAL 66 6.859 5.713 -4.331 427 HA VAL 66 HA VAL 66 4.765 5.872 -2.457 428 HB VAL 66 HB VAL 66 4.830 6.917 -5.291 429 HG11 VAL 66 1HG1 VAL 66 2.891 8.006 -4.926 430 HG12 VAL 66 2HG1 VAL 66 2.628 6.723 -3.742 431 HG13 VAL 66 3HG1 VAL 66 3.249 8.291 -3.223 432 HG21 VAL 66 1HG2 VAL 66 6.458 8.228 -4.498 433 HG22 VAL 66 2HG2 VAL 66 5.189 9.041 -3.583 434 HG23 VAL 66 3HG2 VAL 66 6.139 7.761 -2.828 435 H LEU 67 H LEU 67 4.711 4.705 -5.828 436 HA LEU 67 HA LEU 67 2.083 3.831 -5.898 437 HB2 LEU 67 1HB LEU 67 4.417 2.504 -7.265 438 HB3 LEU 67 2HB LEU 67 2.724 2.431 -7.752 439 HG LEU 67 HG LEU 67 4.131 5.068 -7.665 440 HD11 LEU 67 1HD1 LEU 67 5.531 3.389 -8.934 441 HD12 LEU 67 2HD1 LEU 67 5.007 4.808 -9.839 442 HD13 LEU 67 3HD1 LEU 67 4.187 3.264 -10.069 443 HD21 LEU 67 1HD2 LEU 67 2.304 4.416 -9.845 444 HD22 LEU 67 2HD2 LEU 67 2.326 5.805 -8.758 445 HD23 LEU 67 3HD2 LEU 67 1.566 4.297 -8.247 446 H HIS 68 H HIS 68 4.898 2.330 -4.483 447 HA HIS 68 HA HIS 68 3.858 -0.279 -4.185 448 HB2 HIS 68 1HB HIS 68 6.104 1.268 -2.986 449 HB3 HIS 68 2HB HIS 68 5.587 -0.198 -2.159 450 HD1 HIS 68 1HD HIS 68 5.063 -2.052 -4.512 451 HD2 HIS 68 2HD HIS 68 8.354 0.473 -4.273 452 HE1 HIS 68 1HE HIS 68 6.799 -3.064 -6.025 453 HE2 HIS 68 2HE HIS 68 8.810 -1.566 -5.798 454 H ARG 69 H ARG 69 4.185 2.328 -1.768 455 HA ARG 69 HA ARG 69 2.692 1.036 0.232 456 HB2 ARG 69 1HB ARG 69 2.581 3.227 1.316 457 HB3 ARG 69 2HB ARG 69 4.198 2.908 0.704 458 HG2 ARG 69 1HG ARG 69 4.028 4.492 -0.960 459 HG3 ARG 69 2HG ARG 69 2.264 4.449 -0.964 460 HD2 ARG 69 1HD ARG 69 2.100 5.775 0.931 461 HD3 ARG 69 2HD ARG 69 3.741 5.399 1.456 462 HE ARG 69 HE ARG 69 4.101 6.740 -0.877 463 HH11 ARG 69 2HH1 ARG 69 2.372 7.419 2.068 464 HH12 ARG 69 1HH1 ARG 69 2.580 9.135 1.948 465 HH21 ARG 69 2HH2 ARG 69 4.381 8.998 -1.046 466 HH22 ARG 69 1HH2 ARG 69 3.722 10.032 0.176 467 H ASN 70 H ASN 70 1.729 2.713 -2.608 468 HA ASN 70 HA ASN 70 -0.926 3.353 -1.706 469 HB2 ASN 70 1HB ASN 70 0.524 3.514 -4.326 470 HB3 ASN 70 2HB ASN 70 -1.229 3.672 -4.288 471 HD21 ASN 70 1HD2 ASN 70 0.193 5.739 -5.214 472 HD22 ASN 70 2HD2 ASN 70 0.193 7.045 -4.082 473 H ARG 71 H ARG 71 0.393 1.047 -4.086 474 HA ARG 71 HA ARG 71 -1.859 -0.271 -4.848 475 HB2 ARG 71 1HB ARG 71 0.922 -1.283 -4.325 476 HB3 ARG 71 2HB ARG 71 -0.341 -2.370 -4.887 477 HG2 ARG 71 1HG ARG 71 -0.645 -0.477 -6.713 478 HG3 ARG 71 2HG ARG 71 1.046 -0.171 -6.308 479 HD2 ARG 71 1HD ARG 71 -0.084 -2.849 -7.114 480 HD3 ARG 71 2HD ARG 71 0.763 -1.745 -8.197 481 HE ARG 71 HE ARG 71 2.278 -2.420 -5.858 482 HH11 ARG 71 2HH1 ARG 71 1.407 -3.427 -9.075 483 HH12 ARG 71 1HH1 ARG 71 2.830 -4.389 -9.300 484 HH21 ARG 71 2HH2 ARG 71 4.156 -3.684 -6.142 485 HH22 ARG 71 1HH2 ARG 71 4.392 -4.535 -7.631 486 H ALA 72 H ALA 72 0.131 -1.170 -2.027 487 HA ALA 72 HA ALA 72 -1.147 -3.274 -0.981 488 HB1 ALA 72 1HB ALA 72 -0.850 -1.881 1.309 489 HB2 ALA 72 2HB ALA 72 0.479 -2.668 0.456 490 HB3 ALA 72 3HB ALA 72 0.184 -0.944 0.230 491 H ALA 73 H ALA 73 -2.323 0.061 -0.773 492 HA ALA 73 HA ALA 73 -4.479 -0.239 0.904 493 HB1 ALA 73 1HB ALA 73 -3.662 1.892 -0.130 494 HB2 ALA 73 2HB ALA 73 -4.531 1.439 -1.597 495 HB3 ALA 73 3HB ALA 73 -5.416 1.710 -0.095 496 H CYS 74 H CYS 74 -4.717 -0.356 -2.658 497 HA CYS 74 HA CYS 74 -7.287 -1.166 -2.960 498 HB2 CYS 74 1HB CYS 74 -4.890 -2.157 -4.517 499 HB3 CYS 74 2HB CYS 74 -6.562 -2.341 -5.034 500 HG CYS 74 HG CYS 74 -4.561 0.088 -5.690 501 H HIS 75 H HIS 75 -4.520 -3.314 -2.359 502 HA HIS 75 HA HIS 75 -5.899 -5.739 -2.410 503 HB2 HIS 75 1HB HIS 75 -3.405 -4.870 -0.958 504 HB3 HIS 75 2HB HIS 75 -4.011 -6.521 -0.868 505 HD1 HIS 75 1HD HIS 75 -4.769 -7.011 -3.782 506 HD2 HIS 75 2HD HIS 75 -1.261 -5.123 -2.602 507 HE1 HIS 75 1HE HIS 75 -3.170 -7.304 -5.701 508 HE2 HIS 75 2HE HIS 75 -1.027 -6.228 -4.929 509 H LEU 76 H LEU 76 -4.886 -3.928 0.495 510 HA LEU 76 HA LEU 76 -6.069 -5.341 2.463 511 HB2 LEU 76 1HB LEU 76 -5.931 -2.359 2.115 512 HB3 LEU 76 2HB LEU 76 -6.532 -3.110 3.591 513 HG LEU 76 HG LEU 76 -3.769 -3.585 2.486 514 HD11 LEU 76 1HD1 LEU 76 -4.140 -1.202 3.062 515 HD12 LEU 76 2HD1 LEU 76 -2.946 -1.998 4.088 516 HD13 LEU 76 3HD1 LEU 76 -4.575 -1.703 4.697 517 HD21 LEU 76 1HD2 LEU 76 -4.977 -4.102 5.202 518 HD22 LEU 76 2HD2 LEU 76 -3.313 -4.434 4.720 519 HD23 LEU 76 3HD2 LEU 76 -4.642 -5.324 3.975 520 H LYS 77 H LYS 77 -7.717 -3.008 0.365 521 HA LYS 77 HA LYS 77 -10.261 -3.295 1.604 522 HB2 LYS 77 1HB LYS 77 -9.522 -2.295 -1.153 523 HB3 LYS 77 2HB LYS 77 -11.115 -2.145 -0.424 524 HG2 LYS 77 1HG LYS 77 -8.597 -0.949 0.713 525 HG3 LYS 77 2HG LYS 77 -9.765 -0.082 -0.288 526 HD2 LYS 77 1HD LYS 77 -11.462 -0.975 1.522 527 HD3 LYS 77 2HD LYS 77 -10.007 -1.052 2.519 528 HE2 LYS 77 1HE LYS 77 -9.601 1.364 1.723 529 HE3 LYS 77 2HE LYS 77 -11.296 1.336 1.242 530 HZ1 LYS 77 1HZ LYS 77 -11.863 0.740 3.542 531 HZ2 LYS 77 2HZ LYS 77 -11.093 2.242 3.442 532 HZ3 LYS 77 3HZ LYS 77 -10.235 0.886 3.979 533 H LEU 78 H LEU 78 -8.642 -4.898 -1.071 534 HA LEU 78 HA LEU 78 -11.021 -6.467 -1.682 535 HB2 LEU 78 1HB LEU 78 -8.279 -6.533 -2.932 536 HB3 LEU 78 2HB LEU 78 -9.710 -7.374 -3.524 537 HG LEU 78 HG LEU 78 -9.790 -4.404 -3.278 538 HD11 LEU 78 1HD1 LEU 78 -8.835 -5.495 -5.848 539 HD12 LEU 78 2HD1 LEU 78 -7.658 -5.433 -4.536 540 HD13 LEU 78 3HD1 LEU 78 -8.475 -3.959 -5.058 541 HD21 LEU 78 1HD2 LEU 78 -11.679 -4.667 -4.414 542 HD22 LEU 78 2HD2 LEU 78 -11.479 -6.411 -4.252 543 HD23 LEU 78 3HD2 LEU 78 -10.853 -5.580 -5.677 544 H GLU 79 H GLU 79 -10.156 -6.953 0.867 545 HA GLU 79 HA GLU 79 -9.226 -8.514 2.293 546 HB2 GLU 79 1HB GLU 79 -10.983 -9.891 0.322 547 HB3 GLU 79 2HB GLU 79 -10.049 -10.894 1.423 548 HG2 GLU 79 1HG GLU 79 -11.045 -9.767 3.329 549 HG3 GLU 79 2HG GLU 79 -11.951 -8.711 2.246 550 H ASP 80 H ASP 80 -7.217 -7.701 0.643 551 HA ASP 80 HA ASP 80 -5.809 -10.217 0.030 552 HB2 ASP 80 1HB ASP 80 -5.889 -7.611 -1.442 553 HB3 ASP 80 2HB ASP 80 -4.433 -8.599 -1.522 554 H TYR 81 H TYR 81 -5.745 -9.270 2.585 555 HA TYR 81 HA TYR 81 -3.758 -7.432 3.238 556 HB2 TYR 81 1HB TYR 81 -4.430 -9.909 4.833 557 HB3 TYR 81 2HB TYR 81 -3.773 -8.394 5.442 558 HD1 TYR 81 2HD TYR 81 -5.200 -6.431 5.696 559 HD2 TYR 81 1HD TYR 81 -6.783 -10.126 4.303 560 HE1 TYR 81 2HE TYR 81 -7.478 -5.611 6.128 561 HE2 TYR 81 1HE TYR 81 -9.066 -9.317 4.730 562 HH TYR 81 HH TYR 81 -9.944 -6.350 4.998 563 H ASP 82 H ASP 82 -3.519 -10.948 2.802 564 HA ASP 82 HA ASP 82 -0.998 -11.537 3.515 565 HB2 ASP 82 1HB ASP 82 -2.758 -12.954 2.214 566 HB3 ASP 82 2HB ASP 82 -1.889 -12.406 0.783 567 H LYS 83 H LYS 83 -1.793 -10.244 0.286 568 HA LYS 83 HA LYS 83 0.922 -9.823 -0.437 569 HB2 LYS 83 1HB LYS 83 -1.538 -8.517 -1.612 570 HB3 LYS 83 2HB LYS 83 0.040 -8.661 -2.375 571 HG2 LYS 83 1HG LYS 83 -0.379 -11.228 -2.024 572 HG3 LYS 83 2HG LYS 83 -2.068 -10.719 -1.969 573 HD2 LYS 83 1HD LYS 83 -1.717 -11.190 -4.224 574 HD3 LYS 83 2HD LYS 83 -1.526 -9.437 -4.139 575 HE2 LYS 83 1HE LYS 83 0.861 -9.633 -4.166 576 HE3 LYS 83 2HE LYS 83 0.768 -11.387 -4.008 577 HZ1 LYS 83 1HZ LYS 83 0.566 -11.598 -6.192 578 HZ2 LYS 83 2HZ LYS 83 0.901 -9.947 -6.346 579 HZ3 LYS 83 3HZ LYS 83 -0.703 -10.482 -6.265 580 H ALA 84 H ALA 84 -1.635 -7.683 0.767 581 HA ALA 84 HA ALA 84 -0.628 -5.209 0.574 582 HB1 ALA 84 1HB ALA 84 -2.692 -5.934 1.835 583 HB2 ALA 84 2HB ALA 84 -1.639 -6.212 3.223 584 HB3 ALA 84 3HB ALA 84 -1.788 -4.593 2.541 585 H GLU 85 H GLU 85 0.262 -7.381 3.265 586 HA GLU 85 HA GLU 85 2.183 -5.782 4.447 587 HB2 GLU 85 1HB GLU 85 1.206 -8.117 5.126 588 HB3 GLU 85 2HB GLU 85 2.611 -8.740 4.272 589 HG2 GLU 85 1HG GLU 85 2.974 -6.631 6.344 590 HG3 GLU 85 2HG GLU 85 2.704 -8.301 6.837 591 H THR 86 H THR 86 2.645 -8.234 1.913 592 HA THR 86 HA THR 86 5.395 -8.031 1.619 593 HB THR 86 HB THR 86 3.405 -8.510 -0.607 594 HG1 THR 86 1HG THR 86 3.550 -10.669 -0.013 595 HG21 THR 86 1HG2 THR 86 5.529 -10.046 -1.201 596 HG22 THR 86 2HG2 THR 86 6.348 -8.716 -0.381 597 HG23 THR 86 3HG2 THR 86 5.338 -8.396 -1.791 598 H GLU 87 H GLU 87 2.888 -6.299 -0.237 599 HA GLU 87 HA GLU 87 4.592 -4.726 -1.774 600 HB2 GLU 87 1HB GLU 87 1.820 -4.100 -0.744 601 HB3 GLU 87 2HB GLU 87 2.650 -3.174 -1.987 602 HG2 GLU 87 1HG GLU 87 1.765 -6.043 -2.142 603 HG3 GLU 87 2HG GLU 87 1.115 -4.671 -3.037 604 H ALA 88 H ALA 88 3.157 -4.059 1.401 605 HA ALA 88 HA ALA 88 4.064 -1.456 1.752 606 HB1 ALA 88 1HB ALA 88 2.534 -3.015 3.224 607 HB2 ALA 88 2HB ALA 88 4.043 -3.289 4.095 608 HB3 ALA 88 3HB ALA 88 3.404 -1.653 3.932 609 H SER 89 H SER 89 5.636 -4.488 2.773 610 HA SER 89 HA SER 89 7.904 -3.461 3.941 611 HB2 SER 89 1HB SER 89 8.947 -5.587 3.553 612 HB3 SER 89 2HB SER 89 7.230 -5.890 3.818 613 HG SER 89 HG SER 89 8.736 -6.072 1.464 614 H LYS 90 H LYS 90 7.377 -4.178 0.504 615 HA LYS 90 HA LYS 90 9.941 -3.450 -0.390 616 HB2 LYS 90 1HB LYS 90 7.307 -3.356 -1.872 617 HB3 LYS 90 2HB LYS 90 8.897 -3.273 -2.620 618 HG2 LYS 90 1HG LYS 90 9.359 -5.532 -1.591 619 HG3 LYS 90 2HG LYS 90 7.641 -5.599 -1.192 620 HD2 LYS 90 1HD LYS 90 8.554 -5.026 -3.991 621 HD3 LYS 90 2HD LYS 90 8.447 -6.684 -3.393 622 HE2 LYS 90 1HE LYS 90 6.123 -6.505 -3.027 623 HE3 LYS 90 2HE LYS 90 6.153 -4.751 -3.196 624 HZ1 LYS 90 1HZ LYS 90 5.478 -5.201 -5.269 625 HZ2 LYS 90 2HZ LYS 90 6.032 -6.799 -5.234 626 HZ3 LYS 90 3HZ LYS 90 7.108 -5.538 -5.570 627 H ALA 91 H ALA 91 6.966 -1.580 0.002 628 HA ALA 91 HA ALA 91 7.864 0.804 -1.185 629 HB1 ALA 91 1HB ALA 91 5.555 -0.086 0.220 630 HB2 ALA 91 2HB ALA 91 6.071 1.455 0.904 631 HB3 ALA 91 3HB ALA 91 5.740 1.324 -0.823 632 H ILE 92 H ILE 92 8.056 -0.381 2.143 633 HA ILE 92 HA ILE 92 9.131 1.988 3.258 634 HB ILE 92 HB ILE 92 9.353 -0.867 4.218 635 HG12 ILE 92 1HG1 ILE 92 7.565 1.295 5.312 636 HG13 ILE 92 2HG1 ILE 92 7.052 0.268 3.978 637 HG21 ILE 92 1HG2 ILE 92 9.763 1.622 5.854 638 HG22 ILE 92 2HG2 ILE 92 10.098 -0.049 6.305 639 HG23 ILE 92 3HG2 ILE 92 11.092 0.752 5.088 640 HD11 ILE 92 1HD1 ILE 92 7.482 -1.705 5.442 641 HD12 ILE 92 2HD1 ILE 92 7.756 -0.579 6.772 642 HD13 ILE 92 3HD1 ILE 92 6.180 -0.647 5.985 643 H GLU 93 H GLU 93 10.790 -1.125 2.705 644 HA GLU 93 HA GLU 93 13.365 -0.396 3.136 645 HB2 GLU 93 1HB GLU 93 14.056 -2.161 1.623 646 HB3 GLU 93 2HB GLU 93 12.639 -2.677 2.527 647 HG2 GLU 93 1HG GLU 93 11.218 -2.302 0.639 648 HG3 GLU 93 2HG GLU 93 12.541 -1.573 -0.268 649 H LYS 94 H LYS 94 11.487 0.219 0.213 650 HA LYS 94 HA LYS 94 13.434 1.130 -1.504 651 HB2 LYS 94 1HB LYS 94 10.550 1.781 -1.120 652 HB3 LYS 94 2HB LYS 94 11.491 2.807 -2.195 653 HG2 LYS 94 1HG LYS 94 11.499 -0.173 -2.496 654 HG3 LYS 94 2HG LYS 94 10.224 0.823 -3.203 655 HD2 LYS 94 1HD LYS 94 11.982 2.142 -4.367 656 HD3 LYS 94 2HD LYS 94 13.187 1.012 -3.746 657 HE2 LYS 94 1HE LYS 94 12.733 0.218 -5.891 658 HE3 LYS 94 2HE LYS 94 11.751 -0.809 -4.848 659 HZ1 LYS 94 1HZ LYS 94 10.297 -0.214 -6.520 660 HZ2 LYS 94 2HZ LYS 94 10.891 1.365 -6.641 661 HZ3 LYS 94 3HZ LYS 94 9.929 0.923 -5.322 662 H ASP 95 H ASP 95 11.548 3.139 0.761 663 HA ASP 95 HA ASP 95 13.493 5.295 0.434 664 HB2 ASP 95 1HB ASP 95 10.842 5.226 1.892 665 HB3 ASP 95 2HB ASP 95 11.868 6.648 1.728 666 H GLY 96 H GLY 96 11.748 3.950 3.245 667 HA2 GLY 96 1HA GLY 96 13.174 2.850 4.975 668 HA3 GLY 96 2HA GLY 96 14.267 4.210 4.770 669 H GLY 97 H GLY 97 12.401 6.299 4.666 670 HA2 GLY 97 1HA GLY 97 11.401 6.227 7.443 671 HA3 GLY 97 2HA GLY 97 11.974 7.676 6.631 672 H ASP 98 H ASP 98 9.623 5.111 5.845 673 HA ASP 98 HA ASP 98 7.654 7.240 5.313 674 HB2 ASP 98 1HB ASP 98 8.257 4.710 3.813 675 HB3 ASP 98 2HB ASP 98 6.650 5.427 3.734 676 H VAL 99 H VAL 99 6.774 7.143 7.391 677 HA VAL 99 HA VAL 99 5.941 4.725 8.627 678 HB VAL 99 HB VAL 99 4.907 6.061 10.290 679 HG11 VAL 99 1HG1 VAL 99 6.651 7.810 10.748 680 HG12 VAL 99 2HG1 VAL 99 7.279 6.190 10.438 681 HG13 VAL 99 3HG1 VAL 99 7.352 7.423 9.178 682 HG21 VAL 99 1HG2 VAL 99 4.973 8.314 8.287 683 HG22 VAL 99 2HG2 VAL 99 3.544 7.489 8.910 684 HG23 VAL 99 3HG2 VAL 99 4.520 8.493 9.982 685 H LYS 100 H LYS 100 4.452 6.934 6.381 686 HA LYS 100 HA LYS 100 1.773 6.478 6.679 687 HB2 LYS 100 1HB LYS 100 3.275 6.612 4.057 688 HB3 LYS 100 2HB LYS 100 1.549 6.878 4.262 689 HG2 LYS 100 1HG LYS 100 3.421 8.550 5.850 690 HG3 LYS 100 2HG LYS 100 3.256 8.879 4.123 691 HD2 LYS 100 1HD LYS 100 0.891 9.222 4.357 692 HD3 LYS 100 2HD LYS 100 0.935 8.695 6.041 693 HE2 LYS 100 1HE LYS 100 0.817 11.095 5.979 694 HE3 LYS 100 2HE LYS 100 2.415 10.618 6.551 695 HZ1 LYS 100 1HZ LYS 100 1.711 11.563 3.827 696 HZ2 LYS 100 2HZ LYS 100 3.230 10.955 4.256 697 HZ3 LYS 100 3HZ LYS 100 2.654 12.375 4.973 698 H ALA 101 H ALA 101 4.117 4.400 5.026 699 HA ALA 101 HA ALA 101 2.165 2.462 4.234 700 HB1 ALA 101 1HB ALA 101 5.137 2.641 4.147 701 HB2 ALA 101 2HB ALA 101 4.369 1.068 3.931 702 HB3 ALA 101 3HB ALA 101 3.982 2.397 2.837 703 H LEU 102 H LEU 102 4.506 2.730 6.873 704 HA LEU 102 HA LEU 102 4.305 0.200 7.969 705 HB2 LEU 102 1HB LEU 102 4.887 2.902 9.067 706 HB3 LEU 102 2HB LEU 102 4.600 1.586 10.204 707 HG LEU 102 HG LEU 102 6.650 1.331 8.028 708 HD11 LEU 102 1HD1 LEU 102 6.751 3.027 10.422 709 HD12 LEU 102 2HD1 LEU 102 7.710 3.085 8.943 710 HD13 LEU 102 3HD1 LEU 102 8.123 1.937 10.217 711 HD21 LEU 102 1HD2 LEU 102 7.614 -0.024 10.099 712 HD22 LEU 102 2HD2 LEU 102 6.461 -0.732 8.967 713 HD23 LEU 102 3HD2 LEU 102 5.902 -0.099 10.516 714 H TYR 103 H TYR 103 2.205 3.005 8.468 715 HA TYR 103 HA TYR 103 0.583 1.942 10.480 716 HB2 TYR 103 1HB TYR 103 0.547 4.312 9.845 717 HB3 TYR 103 2HB TYR 103 -0.164 3.894 8.290 718 HD1 TYR 103 2HD TYR 103 -0.945 2.804 11.779 719 HD2 TYR 103 1HD TYR 103 -2.331 4.690 8.226 720 HE1 TYR 103 2HE TYR 103 -3.192 2.991 12.762 721 HE2 TYR 103 1HE TYR 103 -4.582 4.884 9.200 722 HH TYR 103 HH TYR 103 -5.680 3.184 11.645 723 H ARG 104 H ARG 104 0.627 1.393 7.043 724 HA ARG 104 HA ARG 104 -1.949 0.064 7.034 725 HB2 ARG 104 1HB ARG 104 0.073 0.830 4.991 726 HB3 ARG 104 2HB ARG 104 -0.970 -0.537 4.621 727 HG2 ARG 104 1HG ARG 104 -2.895 0.764 4.637 728 HG3 ARG 104 2HG ARG 104 -2.123 2.062 5.551 729 HD2 ARG 104 1HD ARG 104 -1.174 1.314 2.807 730 HD3 ARG 104 2HD ARG 104 -2.541 2.404 3.032 731 HE ARG 104 HE ARG 104 -0.288 3.220 4.567 732 HH11 ARG 104 2HH1 ARG 104 -1.614 3.217 1.348 733 HH12 ARG 104 1HH1 ARG 104 -0.752 4.636 0.851 734 HH21 ARG 104 2HH2 ARG 104 0.852 5.088 3.925 735 HH22 ARG 104 1HH2 ARG 104 0.651 5.699 2.318 736 H ARG 105 H ARG 105 1.468 -0.793 6.915 737 HA ARG 105 HA ARG 105 1.268 -3.492 6.298 738 HB2 ARG 105 1HB ARG 105 3.424 -2.476 6.349 739 HB3 ARG 105 2HB ARG 105 3.232 -1.997 8.030 740 HG2 ARG 105 1HG ARG 105 3.647 -4.118 8.824 741 HG3 ARG 105 2HG ARG 105 3.180 -4.890 7.307 742 HD2 ARG 105 1HD ARG 105 5.444 -5.108 7.154 743 HD3 ARG 105 2HD ARG 105 5.255 -3.528 6.396 744 HE ARG 105 HE ARG 105 5.636 -2.870 8.966 745 HH11 ARG 105 2HH1 ARG 105 7.347 -5.033 6.842 746 HH12 ARG 105 1HH1 ARG 105 8.876 -4.798 7.621 747 HH21 ARG 105 2HH2 ARG 105 7.644 -2.552 10.001 748 HH22 ARG 105 1HH2 ARG 105 9.044 -3.387 9.418 749 H SER 106 H SER 106 0.771 -1.831 9.351 750 HA SER 106 HA SER 106 0.680 -4.164 10.972 751 HB2 SER 106 1HB SER 106 -0.482 -2.612 12.612 752 HB3 SER 106 2HB SER 106 1.110 -2.088 12.066 753 HG SER 106 HG SER 106 -1.368 -1.202 10.999 754 H GLN 107 H GLN 107 -1.613 -2.550 8.938 755 HA GLN 107 HA GLN 107 -3.999 -3.529 10.070 756 HB2 GLN 107 1HB GLN 107 -3.470 -2.876 7.167 757 HB3 GLN 107 2HB GLN 107 -5.042 -2.956 7.951 758 HG2 GLN 107 1HG GLN 107 -2.982 -1.064 8.981 759 HG3 GLN 107 2HG GLN 107 -3.890 -0.662 7.525 760 HE21 GLN 107 1HE2 GLN 107 -3.870 0.533 10.230 761 HE22 GLN 107 2HE2 GLN 107 -5.519 0.522 10.746 762 H ALA 108 H ALA 108 -1.831 -4.845 7.609 763 HA ALA 108 HA ALA 108 -3.470 -7.107 7.021 764 HB1 ALA 108 1HB ALA 108 -1.145 -5.940 5.952 765 HB2 ALA 108 2HB ALA 108 -0.721 -7.593 6.396 766 HB3 ALA 108 3HB ALA 108 -2.075 -7.293 5.307 767 H LEU 109 H LEU 109 -0.506 -6.655 8.938 768 HA LEU 109 HA LEU 109 -0.004 -9.216 9.745 769 HB2 LEU 109 1HB LEU 109 0.199 -6.656 11.312 770 HB3 LEU 109 2HB LEU 109 0.834 -8.195 11.890 771 HG LEU 109 HG LEU 109 1.721 -6.917 9.311 772 HD11 LEU 109 1HD1 LEU 109 2.106 -5.609 11.544 773 HD12 LEU 109 2HD1 LEU 109 3.413 -5.789 10.374 774 HD13 LEU 109 3HD1 LEU 109 3.358 -6.825 11.800 775 HD21 LEU 109 1HD2 LEU 109 3.770 -8.400 10.048 776 HD22 LEU 109 2HD2 LEU 109 2.405 -9.095 9.173 777 HD23 LEU 109 3HD2 LEU 109 2.521 -9.287 10.923 778 H GLU 110 H GLU 110 -2.202 -6.921 11.354 779 HA GLU 110 HA GLU 110 -3.070 -8.489 13.441 780 HB2 GLU 110 1HB GLU 110 -4.590 -6.478 11.782 781 HB3 GLU 110 2HB GLU 110 -5.240 -7.202 13.246 782 HG2 GLU 110 1HG GLU 110 -3.499 -6.230 14.573 783 HG3 GLU 110 2HG GLU 110 -2.672 -5.641 13.133 784 H LYS 111 H LYS 111 -4.471 -8.318 10.174 785 HA LYS 111 HA LYS 111 -6.471 -10.249 10.583 786 HB2 LYS 111 1HB LYS 111 -5.165 -9.013 8.210 787 HB3 LYS 111 2HB LYS 111 -6.091 -10.486 7.953 788 HG2 LYS 111 1HG LYS 111 -7.709 -8.923 7.601 789 HG3 LYS 111 2HG LYS 111 -7.915 -9.193 9.333 790 HD2 LYS 111 1HD LYS 111 -6.427 -7.244 9.752 791 HD3 LYS 111 2HD LYS 111 -6.399 -6.943 8.013 792 HE2 LYS 111 1HE LYS 111 -8.043 -5.503 8.960 793 HE3 LYS 111 2HE LYS 111 -8.896 -6.778 8.092 794 HZ1 LYS 111 1HZ LYS 111 -8.472 -7.568 10.765 795 HZ2 LYS 111 2HZ LYS 111 -9.935 -7.340 9.948 796 HZ3 LYS 111 3HZ LYS 111 -9.203 -6.042 10.749 797 H LEU 112 H LEU 112 -3.092 -10.521 9.696 798 HA LEU 112 HA LEU 112 -3.299 -13.346 9.106 799 HB2 LEU 112 1HB LEU 112 -0.921 -11.510 9.337 800 HB3 LEU 112 2HB LEU 112 -0.831 -13.205 8.865 801 HG LEU 112 HG LEU 112 -2.356 -11.111 7.322 802 HD11 LEU 112 1HD1 LEU 112 -0.266 -10.344 6.899 803 HD12 LEU 112 2HD1 LEU 112 -0.289 -11.668 5.734 804 HD13 LEU 112 3HD1 LEU 112 0.502 -11.881 7.296 805 HD21 LEU 112 1HD2 LEU 112 -1.350 -13.661 6.175 806 HD22 LEU 112 2HD2 LEU 112 -2.781 -12.717 5.758 807 HD23 LEU 112 3HD2 LEU 112 -2.776 -13.718 7.211 808 H GLY 113 H GLY 113 -3.963 -12.245 11.814 809 HA2 GLY 113 1HA GLY 113 -3.691 -12.852 14.011 810 HA3 GLY 113 2HA GLY 113 -3.025 -14.350 13.378 811 H ARG 114 H ARG 114 -1.527 -11.301 12.640 812 HA ARG 114 HA ARG 114 0.762 -12.092 14.308 813 HB2 ARG 114 1HB ARG 114 0.679 -10.220 11.934 814 HB3 ARG 114 2HB ARG 114 2.121 -10.689 12.824 815 HG2 ARG 114 1HG ARG 114 1.661 -13.055 12.160 816 HG3 ARG 114 2HG ARG 114 0.375 -12.444 11.117 817 HD2 ARG 114 1HD ARG 114 1.978 -11.122 9.869 818 HD3 ARG 114 2HD ARG 114 3.274 -11.628 10.953 819 HE ARG 114 HE ARG 114 2.067 -13.904 9.831 820 HH11 ARG 114 2HH1 ARG 114 4.079 -11.209 8.930 821 HH12 ARG 114 1HH1 ARG 114 4.869 -12.061 7.645 822 HH21 ARG 114 2HH2 ARG 114 3.100 -15.036 8.142 823 HH22 ARG 114 1HH2 ARG 114 4.311 -14.237 7.197 824 H LEU 115 H LEU 115 -0.979 -11.040 15.907 825 HA LEU 115 HA LEU 115 -1.122 -8.222 16.036 826 HB2 LEU 115 1HB LEU 115 -1.330 -10.136 18.350 827 HB3 LEU 115 2HB LEU 115 -2.016 -8.517 18.234 828 HG LEU 115 HG LEU 115 -2.882 -10.873 16.560 829 HD11 LEU 115 1HD1 LEU 115 -4.512 -9.638 18.738 830 HD12 LEU 115 2HD1 LEU 115 -3.325 -10.885 19.117 831 HD13 LEU 115 3HD1 LEU 115 -4.646 -11.236 18.003 832 HD21 LEU 115 1HD2 LEU 115 -3.295 -8.073 16.298 833 HD22 LEU 115 2HD2 LEU 115 -4.824 -8.819 16.761 834 HD23 LEU 115 3HD2 LEU 115 -3.965 -9.383 15.326 835 H ASP 116 H ASP 116 1.184 -10.559 17.250 836 HA ASP 116 HA ASP 116 2.547 -8.910 19.073 837 HB2 ASP 116 1HB ASP 116 3.796 -11.109 17.422 838 HB3 ASP 116 2HB ASP 116 4.307 -10.532 19.006 839 H GLN 117 H GLN 117 2.771 -9.254 15.595 840 HA GLN 117 HA GLN 117 5.151 -7.617 15.418 841 HB2 GLN 117 1HB GLN 117 3.342 -8.848 13.342 842 HB3 GLN 117 2HB GLN 117 4.705 -7.816 12.929 843 HG2 GLN 117 1HG GLN 117 5.129 -10.283 12.811 844 HG3 GLN 117 2HG GLN 117 6.262 -9.359 13.796 845 HE21 GLN 117 1HE2 GLN 117 3.649 -11.653 13.817 846 HE22 GLN 117 2HE2 GLN 117 3.856 -12.179 15.449 847 H ALA 118 H ALA 118 1.690 -7.288 14.846 848 HA ALA 118 HA ALA 118 1.527 -4.902 13.519 849 HB1 ALA 118 1HB ALA 118 -0.198 -6.118 15.641 850 HB2 ALA 118 2HB ALA 118 -0.584 -4.535 14.965 851 HB3 ALA 118 3HB ALA 118 -0.505 -5.949 13.913 852 H VAL 119 H VAL 119 2.184 -5.411 16.947 853 HA VAL 119 HA VAL 119 2.028 -2.698 17.732 854 HB VAL 119 HB VAL 119 3.483 -5.038 18.963 855 HG11 VAL 119 1HG1 VAL 119 3.030 -3.036 20.889 856 HG12 VAL 119 2HG1 VAL 119 4.579 -3.622 20.276 857 HG13 VAL 119 3HG1 VAL 119 3.788 -2.245 19.508 858 HG21 VAL 119 1HG2 VAL 119 0.872 -4.782 18.810 859 HG22 VAL 119 2HG2 VAL 119 1.638 -5.352 20.293 860 HG23 VAL 119 3HG2 VAL 119 1.119 -3.672 20.158 861 H LEU 120 H LEU 120 4.815 -4.764 16.927 862 HA LEU 120 HA LEU 120 6.823 -2.875 17.286 863 HB2 LEU 120 1HB LEU 120 6.769 -5.049 15.201 864 HB3 LEU 120 2HB LEU 120 8.198 -4.261 15.866 865 HG LEU 120 HG LEU 120 6.371 -5.761 17.691 866 HD11 LEU 120 1HD1 LEU 120 8.612 -7.288 16.559 867 HD12 LEU 120 2HD1 LEU 120 7.255 -7.018 15.466 868 HD13 LEU 120 3HD1 LEU 120 6.992 -7.813 17.019 869 HD21 LEU 120 1HD2 LEU 120 7.975 -5.228 19.126 870 HD22 LEU 120 2HD2 LEU 120 8.910 -4.464 17.840 871 HD23 LEU 120 3HD2 LEU 120 9.118 -6.183 18.181 872 H ASP 121 H ASP 121 5.396 -3.849 14.162 873 HA ASP 121 HA ASP 121 6.535 -2.036 12.496 874 HB2 ASP 121 1HB ASP 121 5.118 -3.538 11.432 875 HB3 ASP 121 2HB ASP 121 3.792 -3.237 12.552 876 H LEU 122 H LEU 122 3.850 -1.446 14.706 877 HA LEU 122 HA LEU 122 3.410 1.240 13.811 878 HB2 LEU 122 1HB LEU 122 2.469 -0.350 16.177 879 HB3 LEU 122 2HB LEU 122 2.086 1.360 15.996 880 HG LEU 122 HG LEU 122 1.297 -0.821 14.065 881 HD11 LEU 122 1HD1 LEU 122 -0.929 -0.576 14.920 882 HD12 LEU 122 2HD1 LEU 122 -0.421 0.721 16.001 883 HD13 LEU 122 3HD1 LEU 122 0.155 -0.924 16.267 884 HD21 LEU 122 1HD2 LEU 122 1.392 1.075 12.756 885 HD22 LEU 122 2HD2 LEU 122 0.966 2.148 14.089 886 HD23 LEU 122 3HD2 LEU 122 -0.269 1.132 13.345 887 H GLN 123 H GLN 123 5.123 -0.272 16.507 888 HA GLN 123 HA GLN 123 5.742 1.890 18.068 889 HB2 GLN 123 1HB GLN 123 7.324 -0.564 17.360 890 HB3 GLN 123 2HB GLN 123 7.982 0.650 18.450 891 HG2 GLN 123 1HG GLN 123 5.684 0.327 19.676 892 HG3 GLN 123 2HG GLN 123 5.713 -1.228 18.846 893 HE21 GLN 123 1HE2 GLN 123 6.682 -2.826 19.860 894 HE22 GLN 123 2HE2 GLN 123 7.854 -2.672 21.120 895 H ARG 124 H ARG 124 6.766 1.275 14.854 896 HA ARG 124 HA ARG 124 9.032 3.082 14.983 897 HB2 ARG 124 1HB ARG 124 7.775 1.683 12.615 898 HB3 ARG 124 2HB ARG 124 9.288 2.580 12.590 899 HG2 ARG 124 1HG ARG 124 10.333 0.983 14.036 900 HG3 ARG 124 2HG ARG 124 8.801 0.144 14.287 901 HD2 ARG 124 1HD ARG 124 9.694 -1.198 12.678 902 HD3 ARG 124 2HD ARG 124 8.880 -0.022 11.647 903 HE ARG 124 HE ARG 124 10.925 0.691 10.911 904 HH11 ARG 124 2HH1 ARG 124 11.350 -1.173 13.820 905 HH12 ARG 124 1HH1 ARG 124 13.079 -1.193 13.711 906 HH21 ARG 124 2HH2 ARG 124 13.201 0.671 10.755 907 HH22 ARG 124 1HH2 ARG 124 14.131 -0.143 11.967 908 H CYS 125 H CYS 125 5.927 2.955 13.236 909 HA CYS 125 HA CYS 125 6.039 5.437 12.018 910 HB2 CYS 125 1HB CYS 125 3.628 5.314 11.824 911 HB3 CYS 125 2HB CYS 125 4.308 3.709 11.583 912 HG CYS 125 HG CYS 125 3.431 4.342 14.750 913 H VAL 126 H VAL 126 5.580 4.661 15.340 914 HA VAL 126 HA VAL 126 4.377 7.173 16.071 915 HB VAL 126 HB VAL 126 5.630 5.036 17.801 916 HG11 VAL 126 1HG1 VAL 126 3.934 6.307 19.440 917 HG12 VAL 126 2HG1 VAL 126 5.636 6.748 19.284 918 HG13 VAL 126 3HG1 VAL 126 4.405 7.657 18.407 919 HG21 VAL 126 1HG2 VAL 126 3.103 4.717 18.339 920 HG22 VAL 126 2HG2 VAL 126 2.859 5.506 16.780 921 HG23 VAL 126 3HG2 VAL 126 3.780 4.005 16.874 922 H SER 127 H SER 127 7.582 5.921 15.703 923 HA SER 127 HA SER 127 8.825 8.008 17.275 924 HB2 SER 127 1HB SER 127 9.895 5.836 17.251 925 HB3 SER 127 2HB SER 127 9.991 5.859 15.490 926 HG SER 127 HG SER 127 11.157 7.981 16.868 927 H LEU 128 H LEU 128 8.939 7.047 13.840 928 HA LEU 128 HA LEU 128 10.333 9.237 12.873 929 HB2 LEU 128 1HB LEU 128 8.435 7.279 11.712 930 HB3 LEU 128 2HB LEU 128 8.779 8.727 10.768 931 HG LEU 128 HG LEU 128 10.967 6.942 11.799 932 HD11 LEU 128 1HD1 LEU 128 10.917 5.644 9.862 933 HD12 LEU 128 2HD1 LEU 128 9.821 6.751 9.035 934 HD13 LEU 128 3HD1 LEU 128 9.226 5.743 10.354 935 HD21 LEU 128 1HD2 LEU 128 11.608 8.107 9.346 936 HD22 LEU 128 2HD2 LEU 128 12.222 8.560 10.936 937 HD23 LEU 128 3HD2 LEU 128 10.808 9.379 10.269 938 H GLU 129 H GLU 129 6.958 8.934 13.726 939 HA GLU 129 HA GLU 129 6.622 11.803 13.167 940 HB2 GLU 129 1HB GLU 129 4.624 9.601 12.633 941 HB3 GLU 129 2HB GLU 129 4.242 11.316 12.575 942 HG2 GLU 129 1HG GLU 129 5.933 9.693 10.728 943 HG3 GLU 129 2HG GLU 129 4.600 10.785 10.358 944 HA PRO 130 HA PRO 130 5.705 11.098 17.597 945 HB2 PRO 130 1HB PRO 130 6.562 13.553 18.375 946 HB3 PRO 130 2HB PRO 130 7.654 12.183 18.145 947 HG2 PRO 130 1HG PRO 130 7.060 14.461 16.297 948 HG3 PRO 130 2HG PRO 130 8.622 13.719 16.693 949 HD2 PRO 130 1HD PRO 130 7.274 13.149 14.414 950 HD3 PRO 130 2HD PRO 130 8.293 11.956 15.244 951 H LYS 131 H LYS 131 4.820 13.618 15.351 952 HA LYS 131 HA LYS 131 2.775 14.722 17.073 953 HB2 LYS 131 1HB LYS 131 3.574 15.254 14.213 954 HB3 LYS 131 2HB LYS 131 2.201 16.043 14.978 955 HG2 LYS 131 1HG LYS 131 4.986 16.168 16.097 956 HG3 LYS 131 2HG LYS 131 4.353 17.346 14.945 957 HD2 LYS 131 1HD LYS 131 2.444 17.710 16.562 958 HD3 LYS 131 2HD LYS 131 3.365 16.758 17.728 959 HE2 LYS 131 1HE LYS 131 3.923 18.972 18.226 960 HE3 LYS 131 2HE LYS 131 5.281 18.390 17.265 961 HZ1 LYS 131 1HZ LYS 131 4.085 19.398 15.302 962 HZ2 LYS 131 2HZ LYS 131 4.749 20.489 16.411 963 HZ3 LYS 131 3HZ LYS 131 3.085 20.184 16.419 964 H ASN 132 H ASN 132 2.963 12.618 14.246 965 HA ASN 132 HA ASN 132 0.292 12.445 13.560 966 HB2 ASN 132 1HB ASN 132 2.588 10.529 13.385 967 HB3 ASN 132 2HB ASN 132 0.970 9.977 12.960 968 HD21 ASN 132 1HD2 ASN 132 2.431 13.151 12.476 969 HD22 ASN 132 2HD2 ASN 132 2.327 13.134 10.751 970 H LYS 133 H LYS 133 -1.140 12.419 15.248 971 HA LYS 133 HA LYS 133 -0.911 10.661 17.477 972 HB2 LYS 133 1HB LYS 133 -2.249 12.909 17.176 973 HB3 LYS 133 2HB LYS 133 -3.533 11.833 16.638 974 HG2 LYS 133 1HG LYS 133 -3.906 12.189 18.929 975 HG3 LYS 133 2HG LYS 133 -3.209 10.573 18.805 976 HD2 LYS 133 1HD LYS 133 -1.201 11.223 19.729 977 HD3 LYS 133 2HD LYS 133 -1.402 12.908 19.241 978 HE2 LYS 133 1HE LYS 133 -1.674 12.862 21.589 979 HE3 LYS 133 2HE LYS 133 -3.291 13.036 20.910 980 HZ1 LYS 133 1HZ LYS 133 -2.176 10.886 22.464 981 HZ2 LYS 133 2HZ LYS 133 -3.007 10.359 21.088 982 HZ3 LYS 133 3HZ LYS 133 -3.793 11.327 22.231 983 H VAL 134 H VAL 134 -2.562 10.518 14.382 984 HA VAL 134 HA VAL 134 -4.368 8.501 14.708 985 HB VAL 134 HB VAL 134 -2.491 8.853 12.367 986 HG11 VAL 134 1HG1 VAL 134 -5.160 7.458 12.396 987 HG12 VAL 134 2HG1 VAL 134 -4.000 7.547 11.069 988 HG13 VAL 134 3HG1 VAL 134 -3.616 6.615 12.516 989 HG21 VAL 134 1HG2 VAL 134 -4.416 10.047 11.363 990 HG22 VAL 134 2HG2 VAL 134 -5.259 9.923 12.907 991 HG23 VAL 134 3HG2 VAL 134 -3.767 10.855 12.791 992 H PHE 135 H PHE 135 -0.887 8.245 14.674 993 HA PHE 135 HA PHE 135 -0.850 5.380 14.447 994 HB2 PHE 135 1HB PHE 135 1.352 7.262 15.321 995 HB3 PHE 135 2HB PHE 135 1.551 5.581 14.838 996 HD1 PHE 135 1HD PHE 135 -0.405 5.676 12.499 997 HD2 PHE 135 2HD PHE 135 2.770 8.244 13.702 998 HE1 PHE 135 1HE PHE 135 -0.097 6.384 10.163 999 HE2 PHE 135 2HE PHE 135 3.082 8.957 11.368 1000 HZ PHE 135 HZ PHE 135 1.648 8.027 9.595 1001 H GLN 136 H GLN 136 0.085 7.614 17.069 1002 HA GLN 136 HA GLN 136 0.477 5.767 19.072 1003 HB2 GLN 136 1HB GLN 136 -0.598 8.582 19.213 1004 HB3 GLN 136 2HB GLN 136 -0.205 7.637 20.644 1005 HG2 GLN 136 1HG GLN 136 2.065 7.669 20.204 1006 HG3 GLN 136 2HG GLN 136 1.830 8.034 18.495 1007 HE21 GLN 136 1HE2 GLN 136 2.579 9.968 18.044 1008 HE22 GLN 136 2HE2 GLN 136 2.408 11.384 19.019 1009 H GLU 137 H GLU 137 -2.554 7.197 17.968 1010 HA GLU 137 HA GLU 137 -4.177 6.097 20.016 1011 HB2 GLU 137 1HB GLU 137 -6.020 6.889 18.794 1012 HB3 GLU 137 2HB GLU 137 -4.730 8.025 18.426 1013 HG2 GLU 137 1HG GLU 137 -4.430 7.170 16.273 1014 HG3 GLU 137 2HG GLU 137 -5.318 5.692 16.642 1015 H ALA 138 H ALA 138 -3.069 4.922 16.910 1016 HA ALA 138 HA ALA 138 -4.839 2.671 16.826 1017 HB1 ALA 138 1HB ALA 138 -2.455 2.315 15.247 1018 HB2 ALA 138 2HB ALA 138 -4.129 2.516 14.726 1019 HB3 ALA 138 3HB ALA 138 -3.122 3.933 15.026 1020 H LEU 139 H LEU 139 -1.475 3.193 17.787 1021 HA LEU 139 HA LEU 139 -0.867 0.471 18.273 1022 HB2 LEU 139 1HB LEU 139 0.802 2.285 17.942 1023 HB3 LEU 139 2HB LEU 139 0.381 2.907 19.536 1024 HG LEU 139 HG LEU 139 1.173 0.776 20.526 1025 HD11 LEU 139 1HD1 LEU 139 2.745 -0.048 18.245 1026 HD12 LEU 139 2HD1 LEU 139 1.016 -0.158 17.918 1027 HD13 LEU 139 3HD1 LEU 139 1.706 -1.002 19.304 1028 HD21 LEU 139 1HD2 LEU 139 2.850 2.265 20.782 1029 HD22 LEU 139 2HD2 LEU 139 2.867 2.707 19.075 1030 HD23 LEU 139 3HD2 LEU 139 3.660 1.225 19.610 1031 H ARG 140 H ARG 140 -1.493 3.120 20.583 1032 HA ARG 140 HA ARG 140 -1.520 1.752 22.931 1033 HB2 ARG 140 1HB ARG 140 -3.060 4.099 21.933 1034 HB3 ARG 140 2HB ARG 140 -3.554 3.386 23.463 1035 HG2 ARG 140 1HG ARG 140 -0.721 4.209 22.911 1036 HG3 ARG 140 2HG ARG 140 -1.925 5.315 23.576 1037 HD2 ARG 140 1HD ARG 140 -1.496 2.649 24.852 1038 HD3 ARG 140 2HD ARG 140 -0.356 3.957 25.165 1039 HE ARG 140 HE ARG 140 -2.986 3.691 26.226 1040 HH11 ARG 140 2HH1 ARG 140 -0.621 6.022 25.178 1041 HH12 ARG 140 1HH1 ARG 140 -1.226 7.287 26.195 1042 HH21 ARG 140 2HH2 ARG 140 -3.791 5.348 27.570 1043 HH22 ARG 140 1HH2 ARG 140 -3.028 6.903 27.557 1044 H ASN 141 H ASN 141 -3.767 1.440 20.339 1045 HA ASN 141 HA ASN 141 -5.929 0.324 21.815 1046 HB2 ASN 141 1HB ASN 141 -5.256 -0.013 18.883 1047 HB3 ASN 141 2HB ASN 141 -6.813 -0.346 19.636 1048 HD21 ASN 141 1HD2 ASN 141 -6.407 1.411 17.481 1049 HD22 ASN 141 2HD2 ASN 141 -6.812 3.006 18.006 1050 H ILE 142 H ILE 142 -3.725 -1.268 19.502 1051 HA ILE 142 HA ILE 142 -4.356 -3.872 20.498 1052 HB ILE 142 HB ILE 142 -2.881 -4.733 18.887 1053 HG12 ILE 142 1HG1 ILE 142 -1.574 -2.006 18.857 1054 HG13 ILE 142 2HG1 ILE 142 -0.876 -3.505 19.461 1055 HG21 ILE 142 1HG2 ILE 142 -3.672 -2.169 17.555 1056 HG22 ILE 142 2HG2 ILE 142 -3.661 -3.805 16.900 1057 HG23 ILE 142 3HG2 ILE 142 -4.886 -3.337 18.079 1058 HD11 ILE 142 1HD1 ILE 142 -1.184 -4.358 17.055 1059 HD12 ILE 142 2HD1 ILE 142 -1.353 -2.652 16.640 1060 HD13 ILE 142 3HD1 ILE 142 0.129 -3.232 17.399 1061 H SER 143 H SER 143 -1.520 -1.747 20.739 1062 HA SER 143 HA SER 143 0.167 -3.430 22.158 1063 HB2 SER 143 1HB SER 143 0.758 -1.180 21.194 1064 HB3 SER 143 2HB SER 143 -0.048 -0.442 22.579 1065 HG SER 143 HG SER 143 1.812 -0.674 23.521 1066 H GLY 144 H GLY 144 -2.270 -1.160 23.397 1067 HA2 GLY 144 1HA GLY 144 -1.809 -1.484 26.121 1068 HA3 GLY 144 2HA GLY 144 -3.363 -1.073 25.413 1069 HA PRO 145 HA PRO 145 -3.061 -5.583 27.094 1070 HB2 PRO 145 1HB PRO 145 -3.714 -5.233 29.706 1071 HB3 PRO 145 2HB PRO 145 -2.044 -5.254 29.128 1072 HG2 PRO 145 1HG PRO 145 -3.796 -2.914 29.773 1073 HG3 PRO 145 2HG PRO 145 -2.087 -3.175 30.168 1074 HD2 PRO 145 1HD PRO 145 -2.884 -1.614 28.103 1075 HD3 PRO 145 2HD PRO 145 -1.376 -2.552 28.066 1076 H SER 146 H SER 146 -4.952 -5.535 25.709 1077 HA SER 146 HA SER 146 -7.211 -5.361 25.237 1078 HB2 SER 146 1HB SER 146 -6.712 -7.568 26.485 1079 HB3 SER 146 2HB SER 146 -7.520 -6.812 27.858 1080 HG SER 146 HG SER 146 -9.238 -7.590 26.908 1081 H SER 147 H SER 147 -6.473 -2.971 26.346 1082 HA SER 147 HA SER 147 -8.531 -2.373 28.354 1083 HB2 SER 147 1HB SER 147 -6.417 -1.605 29.105 1084 HB3 SER 147 2HB SER 147 -6.013 -0.932 27.525 1085 HG SER 147 HG SER 147 -7.038 0.364 29.509 1086 H GLY 148 H GLY 148 -10.317 -2.302 26.959 1087 HA2 GLY 148 1HA GLY 148 -11.157 0.108 26.011 1088 HA3 GLY 148 2HA GLY 148 -10.316 -0.598 24.638 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -30.155 -10.098 -46.549 2 HA2 GLY 1 1HA GLY 1 -28.018 -12.126 -46.344 3 HA3 GLY 1 2HA GLY 1 -28.303 -11.247 -47.839 4 H SER 2 H SER 2 -25.842 -11.042 -47.046 5 HA SER 2 HA SER 2 -25.440 -8.297 -46.568 6 HB2 SER 2 1HB SER 2 -26.085 -8.972 -44.253 7 HB3 SER 2 2HB SER 2 -24.702 -10.066 -44.225 8 HG SER 2 HG SER 2 -23.823 -8.304 -43.398 9 H SER 3 H SER 3 -23.128 -7.738 -46.409 10 HA SER 3 HA SER 3 -21.332 -9.902 -47.252 11 HB2 SER 3 1HB SER 3 -20.468 -8.648 -49.092 12 HB3 SER 3 2HB SER 3 -22.224 -8.604 -49.241 13 HG SER 3 HG SER 3 -20.541 -6.561 -49.067 14 H GLY 4 H GLY 4 -18.990 -9.041 -47.322 15 HA2 GLY 4 1HA GLY 4 -18.389 -6.841 -45.563 16 HA3 GLY 4 2HA GLY 4 -18.103 -8.412 -44.827 17 H SER 5 H SER 5 -15.911 -7.167 -44.833 18 HA SER 5 HA SER 5 -14.380 -8.250 -47.081 19 HB2 SER 5 1HB SER 5 -13.034 -6.162 -47.206 20 HB3 SER 5 2HB SER 5 -14.718 -5.913 -47.666 21 HG SER 5 HG SER 5 -13.314 -4.743 -45.699 22 H SER 6 H SER 6 -11.901 -7.755 -46.528 23 HA SER 6 HA SER 6 -11.394 -9.211 -44.120 24 HB2 SER 6 1HB SER 6 -8.982 -8.863 -44.753 25 HB3 SER 6 2HB SER 6 -9.962 -9.618 -46.009 26 HG SER 6 HG SER 6 -8.651 -7.225 -46.024 27 H GLY 7 H GLY 7 -10.062 -6.072 -45.183 28 HA2 GLY 7 1HA GLY 7 -10.555 -4.145 -43.657 29 HA3 GLY 7 2HA GLY 7 -10.116 -5.233 -42.349 30 H MET 8 H MET 8 -8.569 -3.561 -41.769 31 HA MET 8 HA MET 8 -5.987 -4.117 -42.915 32 HB2 MET 8 1HB MET 8 -7.025 -2.277 -44.345 33 HB3 MET 8 2HB MET 8 -6.893 -1.242 -42.929 34 HG2 MET 8 1HG MET 8 -5.013 -0.818 -44.308 35 HG3 MET 8 2HG MET 8 -4.448 -1.717 -42.902 36 HE1 MET 8 1HE MET 8 -5.766 -2.136 -46.555 37 HE2 MET 8 2HE MET 8 -4.162 -1.409 -46.648 38 HE3 MET 8 3HE MET 8 -4.430 -3.038 -47.271 39 H THR 9 H THR 9 -4.330 -3.726 -41.497 40 HA THR 9 HA THR 9 -5.096 -2.572 -38.894 41 HB THR 9 HB THR 9 -3.286 -4.050 -37.930 42 HG1 THR 9 1HG THR 9 -2.471 -4.470 -40.206 43 HG21 THR 9 1HG2 THR 9 -4.767 -5.772 -37.536 44 HG22 THR 9 2HG2 THR 9 -5.347 -5.797 -39.201 45 HG23 THR 9 3HG2 THR 9 -5.864 -4.516 -38.106 46 H VAL 10 H VAL 10 -3.557 -1.325 -37.784 47 HA VAL 10 HA VAL 10 -1.017 -0.726 -39.036 48 HB VAL 10 HB VAL 10 -3.113 1.431 -38.738 49 HG11 VAL 10 1HG1 VAL 10 -0.189 1.553 -39.436 50 HG12 VAL 10 2HG1 VAL 10 -1.321 2.854 -39.811 51 HG13 VAL 10 3HG1 VAL 10 -1.034 2.388 -38.134 52 HG21 VAL 10 1HG2 VAL 10 -2.723 1.674 -41.213 53 HG22 VAL 10 2HG2 VAL 10 -1.841 0.149 -41.149 54 HG23 VAL 10 3HG2 VAL 10 -3.551 0.197 -40.722 55 H SER 11 H SER 11 0.477 -0.197 -37.554 56 HA SER 11 HA SER 11 -0.470 0.440 -34.837 57 HB2 SER 11 1HB SER 11 2.072 -1.002 -35.630 58 HB3 SER 11 2HB SER 11 1.534 -0.676 -33.982 59 HG SER 11 HG SER 11 0.486 -2.469 -35.878 60 H GLY 12 H GLY 12 1.354 1.525 -33.509 61 HA2 GLY 12 1HA GLY 12 3.202 3.181 -34.945 62 HA3 GLY 12 2HA GLY 12 1.788 4.077 -34.409 63 HA PRO 13 HA PRO 13 4.250 2.513 -30.511 64 HB2 PRO 13 1HB PRO 13 6.878 2.020 -30.982 65 HB3 PRO 13 2HB PRO 13 5.634 0.768 -31.077 66 HG2 PRO 13 1HG PRO 13 6.920 2.332 -33.283 67 HG3 PRO 13 2HG PRO 13 6.541 0.601 -33.212 68 HD2 PRO 13 1HD PRO 13 4.989 2.379 -34.540 69 HD3 PRO 13 2HD PRO 13 4.324 0.936 -33.747 70 H GLY 14 H GLY 14 6.108 3.566 -29.256 71 HA2 GLY 14 1HA GLY 14 7.744 5.372 -29.219 72 HA3 GLY 14 2HA GLY 14 6.775 6.188 -30.438 73 H THR 15 H THR 15 7.694 6.657 -27.485 74 HA THR 15 HA THR 15 5.071 7.646 -26.575 75 HB THR 15 HB THR 15 5.718 7.281 -24.271 76 HG1 THR 15 1HG THR 15 7.765 5.964 -24.029 77 HG21 THR 15 1HG2 THR 15 4.623 5.409 -25.314 78 HG22 THR 15 2HG2 THR 15 5.900 4.792 -24.265 79 HG23 THR 15 3HG2 THR 15 6.144 4.852 -26.011 80 HA PRO 16 HA PRO 16 8.148 11.138 -27.039 81 HB2 PRO 16 1HB PRO 16 6.537 12.703 -28.564 82 HB3 PRO 16 2HB PRO 16 7.619 11.484 -29.248 83 HG2 PRO 16 1HG PRO 16 4.680 11.318 -28.705 84 HG3 PRO 16 2HG PRO 16 5.589 10.761 -30.122 85 HD2 PRO 16 1HD PRO 16 4.783 9.082 -28.157 86 HD3 PRO 16 2HD PRO 16 6.281 8.827 -29.076 87 H GLU 17 H GLU 17 7.250 13.651 -26.944 88 HA GLU 17 HA GLU 17 6.691 14.264 -24.396 89 HB2 GLU 17 1HB GLU 17 5.682 16.369 -25.158 90 HB3 GLU 17 2HB GLU 17 7.118 15.966 -26.089 91 HG2 GLU 17 1HG GLU 17 5.389 14.887 -27.726 92 HG3 GLU 17 2HG GLU 17 4.261 15.977 -26.921 93 HA PRO 18 HA PRO 18 2.696 12.756 -23.333 94 HB2 PRO 18 1HB PRO 18 2.145 14.414 -21.255 95 HB3 PRO 18 2HB PRO 18 3.316 13.094 -21.146 96 HG2 PRO 18 1HG PRO 18 3.791 16.016 -21.596 97 HG3 PRO 18 2HG PRO 18 4.670 14.888 -20.547 98 HD2 PRO 18 1HD PRO 18 5.592 15.635 -22.981 99 HD3 PRO 18 2HD PRO 18 5.902 14.027 -22.294 100 H ARG 19 H ARG 19 1.737 13.522 -25.355 101 HA ARG 19 HA ARG 19 0.248 16.043 -25.069 102 HB2 ARG 19 1HB ARG 19 1.318 16.316 -27.072 103 HB3 ARG 19 2HB ARG 19 1.392 14.589 -27.391 104 HG2 ARG 19 1HG ARG 19 -1.033 14.632 -27.909 105 HG3 ARG 19 2HG ARG 19 -0.998 16.386 -27.719 106 HD2 ARG 19 1HD ARG 19 0.970 16.210 -29.449 107 HD3 ARG 19 2HD ARG 19 0.198 14.676 -29.848 108 HE ARG 19 HE ARG 19 -1.861 16.412 -29.923 109 HH11 ARG 19 2HH1 ARG 19 1.305 16.438 -31.369 110 HH12 ARG 19 1HH1 ARG 19 0.807 17.346 -32.758 111 HH21 ARG 19 2HH2 ARG 19 -2.530 17.609 -31.746 112 HH22 ARG 19 1HH2 ARG 19 -1.375 18.013 -32.970 113 HA PRO 20 HA PRO 20 -3.489 13.756 -24.583 114 HB2 PRO 20 1HB PRO 20 -5.246 15.707 -25.271 115 HB3 PRO 20 2HB PRO 20 -4.380 15.695 -23.731 116 HG2 PRO 20 1HG PRO 20 -3.776 17.225 -26.232 117 HG3 PRO 20 2HG PRO 20 -3.729 17.773 -24.546 118 HD2 PRO 20 1HD PRO 20 -1.498 17.081 -25.917 119 HD3 PRO 20 2HD PRO 20 -1.660 16.831 -24.167 120 H ALA 21 H ALA 21 -5.670 13.554 -25.874 121 HA ALA 21 HA ALA 21 -6.713 12.724 -27.720 122 HB1 ALA 21 1HB ALA 21 -6.236 15.121 -28.433 123 HB2 ALA 21 2HB ALA 21 -4.907 14.455 -29.383 124 HB3 ALA 21 3HB ALA 21 -6.565 13.955 -29.714 125 H THR 22 H THR 22 -4.559 11.219 -26.715 126 HA THR 22 HA THR 22 -3.845 9.735 -29.122 127 HB THR 22 HB THR 22 -1.943 11.323 -28.560 128 HG1 THR 22 1HG THR 22 -1.434 9.570 -29.810 129 HG21 THR 22 1HG2 THR 22 -2.304 10.701 -26.014 130 HG22 THR 22 2HG2 THR 22 -0.707 11.111 -26.640 131 HG23 THR 22 3HG2 THR 22 -1.156 9.422 -26.407 132 HA PRO 23 HA PRO 23 -4.891 6.341 -26.509 133 HB2 PRO 23 1HB PRO 23 -3.766 4.347 -27.969 134 HB3 PRO 23 2HB PRO 23 -5.259 5.164 -28.448 135 HG2 PRO 23 1HG PRO 23 -2.459 5.616 -29.407 136 HG3 PRO 23 2HG PRO 23 -3.964 5.540 -30.343 137 HD2 PRO 23 1HD PRO 23 -2.785 7.882 -29.669 138 HD3 PRO 23 2HD PRO 23 -4.545 7.709 -29.823 139 H GLY 24 H GLY 24 -1.771 7.500 -26.979 140 HA2 GLY 24 1HA GLY 24 -0.497 5.406 -25.378 141 HA3 GLY 24 2HA GLY 24 0.324 6.722 -26.204 142 H ALA 25 H ALA 25 -2.165 6.358 -23.672 143 HA ALA 25 HA ALA 25 -0.922 8.588 -22.229 144 HB1 ALA 25 1HB ALA 25 -3.504 8.252 -22.810 145 HB2 ALA 25 2HB ALA 25 -3.457 7.406 -21.262 146 HB3 ALA 25 3HB ALA 25 -2.954 9.094 -21.360 147 H SER 26 H SER 26 0.636 6.411 -22.076 148 HA SER 26 HA SER 26 0.030 5.192 -19.465 149 HB2 SER 26 1HB SER 26 1.663 4.225 -21.806 150 HB3 SER 26 2HB SER 26 1.840 3.519 -20.200 151 HG SER 26 HG SER 26 0.203 2.337 -20.774 152 H SER 27 H SER 27 0.805 7.223 -18.504 153 HA SER 27 HA SER 27 3.747 7.258 -18.332 154 HB2 SER 27 1HB SER 27 1.821 9.587 -18.331 155 HB3 SER 27 2HB SER 27 3.505 9.727 -17.827 156 HG SER 27 HG SER 27 4.060 8.911 -19.938 157 H VAL 28 H VAL 28 4.483 6.762 -16.385 158 HA VAL 28 HA VAL 28 2.891 6.218 -14.170 159 HB VAL 28 HB VAL 28 5.082 5.270 -14.284 160 HG11 VAL 28 1HG1 VAL 28 5.879 7.683 -15.295 161 HG12 VAL 28 2HG1 VAL 28 6.621 7.683 -13.694 162 HG13 VAL 28 3HG1 VAL 28 6.956 6.370 -14.822 163 HG21 VAL 28 1HG2 VAL 28 5.516 7.156 -12.036 164 HG22 VAL 28 2HG2 VAL 28 4.036 6.198 -12.024 165 HG23 VAL 28 3HG2 VAL 28 5.606 5.395 -12.070 166 H GLU 29 H GLU 29 4.134 9.221 -15.324 167 HA GLU 29 HA GLU 29 3.870 10.614 -12.814 168 HB2 GLU 29 1HB GLU 29 4.620 11.353 -15.603 169 HB3 GLU 29 2HB GLU 29 4.060 12.630 -14.532 170 HG2 GLU 29 1HG GLU 29 5.811 11.724 -12.883 171 HG3 GLU 29 2HG GLU 29 6.488 10.902 -14.287 172 H GLN 30 H GLN 30 2.032 10.355 -15.825 173 HA GLN 30 HA GLN 30 -0.059 12.084 -14.770 174 HB2 GLN 30 1HB GLN 30 0.395 12.494 -17.050 175 HB3 GLN 30 2HB GLN 30 0.417 10.780 -17.440 176 HG2 GLN 30 1HG GLN 30 -1.884 10.610 -17.431 177 HG3 GLN 30 2HG GLN 30 -2.088 12.046 -16.430 178 HE21 GLN 30 1HE2 GLN 30 -3.454 13.146 -17.744 179 HE22 GLN 30 2HE2 GLN 30 -3.021 13.733 -19.310 180 H LEU 31 H LEU 31 -0.085 8.895 -16.372 181 HA LEU 31 HA LEU 31 -2.551 8.006 -15.768 182 HB2 LEU 31 1HB LEU 31 -1.817 5.883 -16.174 183 HB3 LEU 31 2HB LEU 31 -0.489 6.819 -16.856 184 HG LEU 31 HG LEU 31 0.533 6.473 -14.445 185 HD11 LEU 31 1HD1 LEU 31 -1.794 4.807 -14.401 186 HD12 LEU 31 2HD1 LEU 31 -0.613 5.110 -13.127 187 HD13 LEU 31 3HD1 LEU 31 -0.343 3.811 -14.288 188 HD21 LEU 31 1HD2 LEU 31 1.943 4.963 -15.405 189 HD22 LEU 31 2HD2 LEU 31 1.148 5.570 -16.857 190 HD23 LEU 31 3HD2 LEU 31 0.635 4.040 -16.144 191 H ARG 32 H ARG 32 0.131 8.270 -13.520 192 HA ARG 32 HA ARG 32 -0.565 6.795 -11.379 193 HB2 ARG 32 1HB ARG 32 1.344 8.132 -11.130 194 HB3 ARG 32 2HB ARG 32 0.474 9.608 -11.523 195 HG2 ARG 32 1HG ARG 32 -0.786 9.313 -9.367 196 HG3 ARG 32 2HG ARG 32 0.352 8.022 -8.974 197 HD2 ARG 32 1HD ARG 32 2.207 9.575 -9.117 198 HD3 ARG 32 2HD ARG 32 1.116 10.868 -9.616 199 HE ARG 32 HE ARG 32 0.102 10.087 -7.233 200 HH11 ARG 32 2HH1 ARG 32 3.282 11.032 -8.289 201 HH12 ARG 32 1HH1 ARG 32 3.738 11.692 -6.754 202 HH21 ARG 32 2HH2 ARG 32 0.691 10.953 -5.206 203 HH22 ARG 32 1HH2 ARG 32 2.264 11.646 -5.001 204 H LYS 33 H LYS 33 -2.073 9.864 -12.297 205 HA LYS 33 HA LYS 33 -3.793 10.088 -10.082 206 HB2 LYS 33 1HB LYS 33 -3.672 11.269 -12.811 207 HB3 LYS 33 2HB LYS 33 -5.195 11.398 -11.940 208 HG2 LYS 33 1HG LYS 33 -3.903 13.378 -11.559 209 HG3 LYS 33 2HG LYS 33 -3.984 12.451 -10.059 210 HD2 LYS 33 1HD LYS 33 -1.730 11.426 -11.004 211 HD3 LYS 33 2HD LYS 33 -1.673 12.970 -11.858 212 HE2 LYS 33 1HE LYS 33 -0.590 13.558 -9.937 213 HE3 LYS 33 2HE LYS 33 -2.249 13.911 -9.456 214 HZ1 LYS 33 1HZ LYS 33 -2.214 11.480 -8.630 215 HZ2 LYS 33 2HZ LYS 33 -1.470 12.677 -7.696 216 HZ3 LYS 33 3HZ LYS 33 -0.532 11.656 -8.664 217 H GLU 34 H GLU 34 -4.221 8.574 -13.255 218 HA GLU 34 HA GLU 34 -6.867 7.966 -13.291 219 HB2 GLU 34 1HB GLU 34 -5.189 7.325 -15.027 220 HB3 GLU 34 2HB GLU 34 -4.685 5.996 -13.992 221 HG2 GLU 34 1HG GLU 34 -6.136 4.884 -15.326 222 HG3 GLU 34 2HG GLU 34 -7.262 5.422 -14.082 223 H GLY 35 H GLY 35 -4.384 6.427 -11.327 224 HA2 GLY 35 1HA GLY 35 -6.133 4.365 -10.343 225 HA3 GLY 35 2HA GLY 35 -4.522 4.740 -9.749 226 H ASN 36 H ASN 36 -4.606 7.194 -8.794 227 HA ASN 36 HA ASN 36 -5.824 6.998 -6.324 228 HB2 ASN 36 1HB ASN 36 -4.766 9.304 -7.915 229 HB3 ASN 36 2HB ASN 36 -5.618 9.619 -6.406 230 HD21 ASN 36 1HD2 ASN 36 -2.730 8.518 -7.869 231 HD22 ASN 36 2HD2 ASN 36 -1.838 8.228 -6.418 232 H GLU 37 H GLU 37 -6.997 8.697 -9.215 233 HA GLU 37 HA GLU 37 -9.330 9.760 -8.098 234 HB2 GLU 37 1HB GLU 37 -9.893 10.392 -10.228 235 HB3 GLU 37 2HB GLU 37 -8.177 10.084 -10.455 236 HG2 GLU 37 1HG GLU 37 -8.852 7.738 -11.162 237 HG3 GLU 37 2HG GLU 37 -10.498 8.362 -11.249 238 H LEU 38 H LEU 38 -8.581 6.558 -9.230 239 HA LEU 38 HA LEU 38 -11.297 5.660 -9.389 240 HB2 LEU 38 1HB LEU 38 -8.609 4.394 -9.556 241 HB3 LEU 38 2HB LEU 38 -10.004 3.364 -9.240 242 HG LEU 38 HG LEU 38 -9.838 5.209 -11.613 243 HD11 LEU 38 1HD1 LEU 38 -8.688 2.508 -11.185 244 HD12 LEU 38 2HD1 LEU 38 -8.113 3.841 -12.186 245 HD13 LEU 38 3HD1 LEU 38 -9.458 2.843 -12.736 246 HD21 LEU 38 1HD2 LEU 38 -11.857 4.437 -12.156 247 HD22 LEU 38 2HD2 LEU 38 -11.952 3.820 -10.507 248 HD23 LEU 38 3HD2 LEU 38 -11.399 2.769 -11.812 249 H PHE 39 H PHE 39 -8.841 5.799 -6.921 250 HA PHE 39 HA PHE 39 -10.113 3.976 -5.123 251 HB2 PHE 39 1HB PHE 39 -7.627 4.796 -5.206 252 HB3 PHE 39 2HB PHE 39 -8.225 6.117 -4.207 253 HD1 PHE 39 1HD PHE 39 -7.551 2.529 -4.366 254 HD2 PHE 39 2HD PHE 39 -8.960 5.731 -1.941 255 HE1 PHE 39 1HE PHE 39 -7.346 1.104 -2.371 256 HE2 PHE 39 2HE PHE 39 -8.756 4.311 0.058 257 HZ PHE 39 HZ PHE 39 -7.948 1.994 -0.155 258 H LYS 40 H LYS 40 -9.891 7.519 -5.300 259 HA LYS 40 HA LYS 40 -11.322 8.196 -3.044 260 HB2 LYS 40 1HB LYS 40 -12.043 10.239 -4.435 261 HB3 LYS 40 2HB LYS 40 -10.322 9.976 -4.185 262 HG2 LYS 40 1HG LYS 40 -10.109 9.030 -6.400 263 HG3 LYS 40 2HG LYS 40 -11.850 9.177 -6.654 264 HD2 LYS 40 1HD LYS 40 -10.845 11.021 -7.760 265 HD3 LYS 40 2HD LYS 40 -11.576 11.658 -6.284 266 HE2 LYS 40 1HE LYS 40 -9.180 11.180 -5.298 267 HE3 LYS 40 2HE LYS 40 -8.703 11.301 -6.991 268 HZ1 LYS 40 1HZ LYS 40 -8.762 13.491 -6.802 269 HZ2 LYS 40 2HZ LYS 40 -9.255 13.375 -5.189 270 HZ3 LYS 40 3HZ LYS 40 -10.410 13.437 -6.422 271 H CYS 41 H CYS 41 -12.437 6.581 -5.822 272 HA CYS 41 HA CYS 41 -15.237 7.224 -5.216 273 HB2 CYS 41 1HB CYS 41 -13.842 6.160 -7.648 274 HB3 CYS 41 2HB CYS 41 -15.563 5.868 -7.427 275 HG CYS 41 HG CYS 41 -13.959 8.804 -8.008 276 H GLY 42 H GLY 42 -12.876 4.701 -5.091 277 HA2 GLY 42 1HA GLY 42 -13.384 2.941 -3.428 278 HA3 GLY 42 2HA GLY 42 -14.976 2.838 -4.164 279 H ASP 43 H ASP 43 -13.838 3.115 -6.884 280 HA ASP 43 HA ASP 43 -13.706 0.474 -7.638 281 HB2 ASP 43 1HB ASP 43 -12.807 3.027 -8.883 282 HB3 ASP 43 2HB ASP 43 -12.255 1.522 -9.612 283 H TYR 44 H TYR 44 -12.400 -0.799 -6.361 284 HA TYR 44 HA TYR 44 -9.623 -0.154 -5.950 285 HB2 TYR 44 1HB TYR 44 -11.007 -2.776 -5.375 286 HB3 TYR 44 2HB TYR 44 -9.514 -2.175 -4.662 287 HD1 TYR 44 1HD TYR 44 -10.075 0.484 -3.797 288 HD2 TYR 44 2HD TYR 44 -12.650 -2.904 -3.763 289 HE1 TYR 44 1HE TYR 44 -11.356 1.483 -1.951 290 HE2 TYR 44 2HE TYR 44 -13.938 -1.913 -1.917 291 HH TYR 44 HH TYR 44 -13.120 1.289 -0.616 292 H GLY 45 H GLY 45 -11.409 -2.665 -7.735 293 HA2 GLY 45 1HA GLY 45 -9.337 -4.108 -8.804 294 HA3 GLY 45 2HA GLY 45 -10.847 -3.808 -9.652 295 H GLY 46 H GLY 46 -10.325 -0.874 -9.659 296 HA2 GLY 46 1HA GLY 46 -8.655 -0.880 -12.053 297 HA3 GLY 46 2HA GLY 46 -9.696 0.429 -11.513 298 H ALA 47 H ALA 47 -8.910 1.142 -9.123 299 HA ALA 47 HA ALA 47 -6.794 2.773 -9.334 300 HB1 ALA 47 1HB ALA 47 -7.455 3.199 -7.260 301 HB2 ALA 47 2HB ALA 47 -8.246 1.627 -7.144 302 HB3 ALA 47 3HB ALA 47 -6.543 1.790 -6.718 303 H LEU 48 H LEU 48 -6.604 -0.661 -8.519 304 HA LEU 48 HA LEU 48 -3.811 -0.697 -8.029 305 HB2 LEU 48 1HB LEU 48 -5.431 -2.416 -7.251 306 HB3 LEU 48 2HB LEU 48 -5.574 -2.975 -8.916 307 HG LEU 48 HG LEU 48 -4.054 -4.277 -7.301 308 HD11 LEU 48 1HD1 LEU 48 -3.799 -3.612 -10.100 309 HD12 LEU 48 2HD1 LEU 48 -3.593 -5.162 -9.285 310 HD13 LEU 48 3HD1 LEU 48 -2.241 -4.034 -9.389 311 HD21 LEU 48 1HD2 LEU 48 -2.946 -1.949 -6.707 312 HD22 LEU 48 2HD2 LEU 48 -1.925 -2.359 -8.085 313 HD23 LEU 48 3HD2 LEU 48 -2.016 -3.448 -6.701 314 H ALA 49 H ALA 49 -5.783 -1.385 -10.886 315 HA ALA 49 HA ALA 49 -3.830 -2.356 -12.592 316 HB1 ALA 49 1HB ALA 49 -6.364 -0.838 -13.040 317 HB2 ALA 49 2HB ALA 49 -5.298 -1.197 -14.399 318 HB3 ALA 49 3HB ALA 49 -5.973 -2.512 -13.436 319 H ALA 50 H ALA 50 -4.748 1.015 -11.961 320 HA ALA 50 HA ALA 50 -2.995 2.195 -13.819 321 HB1 ALA 50 1HB ALA 50 -4.964 3.133 -12.230 322 HB2 ALA 50 2HB ALA 50 -3.545 3.720 -11.362 323 HB3 ALA 50 3HB ALA 50 -3.788 4.159 -13.052 324 H TYR 51 H TYR 51 -2.637 1.725 -10.303 325 HA TYR 51 HA TYR 51 -0.096 2.787 -10.007 326 HB2 TYR 51 1HB TYR 51 -1.371 0.481 -8.524 327 HB3 TYR 51 2HB TYR 51 0.091 1.313 -8.005 328 HD1 TYR 51 1HD TYR 51 -0.685 4.129 -8.643 329 HD2 TYR 51 2HD TYR 51 -2.874 0.984 -6.794 330 HE1 TYR 51 1HE TYR 51 -2.051 5.790 -7.448 331 HE2 TYR 51 2HE TYR 51 -4.246 2.636 -5.595 332 HH TYR 51 HH TYR 51 -4.703 4.790 -5.309 333 H THR 52 H THR 52 -1.088 -0.320 -11.252 334 HA THR 52 HA THR 52 1.386 -1.656 -11.099 335 HB THR 52 HB THR 52 -0.807 -2.055 -13.144 336 HG1 THR 52 1HG THR 52 -1.493 -2.279 -10.934 337 HG21 THR 52 1HG2 THR 52 0.124 -4.408 -13.143 338 HG22 THR 52 2HG2 THR 52 1.520 -3.763 -12.279 339 HG23 THR 52 3HG2 THR 52 1.141 -3.183 -13.901 340 H GLN 53 H GLN 53 -0.147 -0.122 -13.938 341 HA GLN 53 HA GLN 53 1.924 -0.357 -15.726 342 HB2 GLN 53 1HB GLN 53 0.259 2.145 -15.561 343 HB3 GLN 53 2HB GLN 53 0.912 1.361 -16.993 344 HG2 GLN 53 1HG GLN 53 -0.633 -0.620 -16.159 345 HG3 GLN 53 2HG GLN 53 -1.505 0.715 -15.408 346 HE21 GLN 53 1HE2 GLN 53 -1.789 2.636 -16.975 347 HE22 GLN 53 2HE2 GLN 53 -2.359 2.222 -18.552 348 H ALA 54 H ALA 54 1.337 2.404 -13.548 349 HA ALA 54 HA ALA 54 3.442 4.020 -14.171 350 HB1 ALA 54 1HB ALA 54 2.331 5.074 -12.543 351 HB2 ALA 54 2HB ALA 54 1.817 3.564 -11.789 352 HB3 ALA 54 3HB ALA 54 3.414 4.224 -11.441 353 H LEU 55 H LEU 55 3.520 1.138 -12.121 354 HA LEU 55 HA LEU 55 6.228 1.415 -11.325 355 HB2 LEU 55 1HB LEU 55 4.216 -0.785 -11.284 356 HB3 LEU 55 2HB LEU 55 5.909 -1.168 -10.978 357 HG LEU 55 HG LEU 55 4.354 0.868 -9.392 358 HD11 LEU 55 1HD1 LEU 55 5.013 -1.755 -8.212 359 HD12 LEU 55 2HD1 LEU 55 3.700 -1.732 -9.389 360 HD13 LEU 55 3HD1 LEU 55 3.616 -0.708 -7.955 361 HD21 LEU 55 1HD2 LEU 55 7.024 -0.478 -9.052 362 HD22 LEU 55 2HD2 LEU 55 6.200 0.373 -7.745 363 HD23 LEU 55 3HD2 LEU 55 6.683 1.246 -9.200 364 H GLY 56 H GLY 56 4.644 -0.098 -14.067 365 HA2 GLY 56 1HA GLY 56 7.081 -1.373 -14.981 366 HA3 GLY 56 2HA GLY 56 5.528 -1.373 -15.804 367 H LEU 57 H LEU 57 7.291 1.471 -14.692 368 HA LEU 57 HA LEU 57 8.040 2.120 -17.441 369 HB2 LEU 57 1HB LEU 57 6.482 4.002 -15.676 370 HB3 LEU 57 2HB LEU 57 7.097 4.353 -17.289 371 HG LEU 57 HG LEU 57 5.055 2.207 -16.751 372 HD11 LEU 57 1HD1 LEU 57 3.319 3.687 -17.073 373 HD12 LEU 57 2HD1 LEU 57 4.348 4.895 -17.842 374 HD13 LEU 57 3HD1 LEU 57 4.432 4.648 -16.098 375 HD21 LEU 57 1HD2 LEU 57 5.646 1.730 -18.861 376 HD22 LEU 57 2HD2 LEU 57 6.428 3.292 -19.104 377 HD23 LEU 57 3HD2 LEU 57 4.679 3.145 -19.276 378 H ASP 58 H ASP 58 9.641 3.791 -17.602 379 HA ASP 58 HA ASP 58 11.658 3.621 -15.661 380 HB2 ASP 58 1HB ASP 58 11.206 5.464 -17.997 381 HB3 ASP 58 2HB ASP 58 12.600 5.657 -16.937 382 H ALA 59 H ALA 59 10.692 4.151 -13.661 383 HA ALA 59 HA ALA 59 10.221 7.037 -13.279 384 HB1 ALA 59 1HB ALA 59 8.154 6.233 -12.760 385 HB2 ALA 59 2HB ALA 59 8.771 4.666 -12.236 386 HB3 ALA 59 3HB ALA 59 8.924 6.071 -11.182 387 H THR 60 H THR 60 11.218 8.052 -11.586 388 HA THR 60 HA THR 60 13.673 7.204 -10.694 389 HB THR 60 HB THR 60 13.062 8.794 -8.639 390 HG1 THR 60 1HG THR 60 11.497 10.367 -9.711 391 HG21 THR 60 1HG2 THR 60 13.554 10.746 -10.189 392 HG22 THR 60 2HG2 THR 60 13.554 9.573 -11.506 393 HG23 THR 60 3HG2 THR 60 14.726 9.429 -10.197 394 HA PRO 61 HA PRO 61 13.122 4.273 -7.474 395 HB2 PRO 61 1HB PRO 61 15.054 4.990 -5.707 396 HB3 PRO 61 2HB PRO 61 15.409 4.225 -7.260 397 HG2 PRO 61 1HG PRO 61 15.529 7.119 -6.502 398 HG3 PRO 61 2HG PRO 61 16.674 6.166 -7.465 399 HD2 PRO 61 1HD PRO 61 14.847 7.820 -8.588 400 HD3 PRO 61 2HD PRO 61 15.392 6.324 -9.374 401 H GLN 62 H GLN 62 12.614 7.588 -6.901 402 HA GLN 62 HA GLN 62 11.721 7.184 -4.151 403 HB2 GLN 62 1HB GLN 62 12.326 9.556 -5.851 404 HB3 GLN 62 2HB GLN 62 11.168 9.754 -4.542 405 HG2 GLN 62 1HG GLN 62 13.145 10.348 -3.536 406 HG3 GLN 62 2HG GLN 62 12.998 8.650 -3.085 407 HE21 GLN 62 1HE2 GLN 62 14.467 10.810 -5.458 408 HE22 GLN 62 2HE2 GLN 62 15.870 9.841 -5.738 409 H ASP 63 H ASP 63 10.476 7.485 -7.353 410 HA ASP 63 HA ASP 63 7.800 8.189 -6.548 411 HB2 ASP 63 1HB ASP 63 9.148 7.532 -9.135 412 HB3 ASP 63 2HB ASP 63 7.392 7.436 -9.045 413 H GLN 64 H GLN 64 9.531 5.261 -7.464 414 HA GLN 64 HA GLN 64 7.377 3.516 -7.726 415 HB2 GLN 64 1HB GLN 64 10.257 3.183 -7.008 416 HB3 GLN 64 2HB GLN 64 9.175 1.810 -6.812 417 HG2 GLN 64 1HG GLN 64 9.875 1.423 -8.929 418 HG3 GLN 64 2HG GLN 64 8.488 2.454 -9.278 419 HE21 GLN 64 1HE2 GLN 64 11.966 2.293 -9.084 420 HE22 GLN 64 2HE2 GLN 64 12.282 3.716 -10.011 421 H ALA 65 H ALA 65 9.426 3.981 -4.841 422 HA ALA 65 HA ALA 65 8.203 2.399 -3.026 423 HB1 ALA 65 1HB ALA 65 9.022 5.230 -2.402 424 HB2 ALA 65 2HB ALA 65 8.969 3.859 -1.293 425 HB3 ALA 65 3HB ALA 65 10.154 3.892 -2.599 426 H VAL 66 H VAL 66 7.031 5.536 -4.144 427 HA VAL 66 HA VAL 66 4.882 5.773 -2.327 428 HB VAL 66 HB VAL 66 5.184 6.945 -5.095 429 HG11 VAL 66 1HG1 VAL 66 3.469 8.522 -4.476 430 HG12 VAL 66 2HG1 VAL 66 2.841 6.883 -4.292 431 HG13 VAL 66 3HG1 VAL 66 3.337 7.803 -2.871 432 HG21 VAL 66 1HG2 VAL 66 5.475 8.904 -3.113 433 HG22 VAL 66 2HG2 VAL 66 6.443 7.530 -2.579 434 HG23 VAL 66 3HG2 VAL 66 6.729 8.247 -4.165 435 H LEU 67 H LEU 67 4.896 4.767 -5.751 436 HA LEU 67 HA LEU 67 2.209 4.066 -5.930 437 HB2 LEU 67 1HB LEU 67 4.592 2.906 -7.364 438 HB3 LEU 67 2HB LEU 67 2.914 2.616 -7.819 439 HG LEU 67 HG LEU 67 3.922 5.423 -7.694 440 HD11 LEU 67 1HD1 LEU 67 4.575 5.208 -10.090 441 HD12 LEU 67 2HD1 LEU 67 4.472 3.457 -9.908 442 HD13 LEU 67 3HD1 LEU 67 5.649 4.373 -8.967 443 HD21 LEU 67 1HD2 LEU 67 1.496 4.497 -8.171 444 HD22 LEU 67 2HD2 LEU 67 2.145 4.303 -9.800 445 HD23 LEU 67 3HD2 LEU 67 2.136 5.894 -9.037 446 H HIS 68 H HIS 68 4.862 2.408 -4.450 447 HA HIS 68 HA HIS 68 3.696 -0.191 -4.405 448 HB2 HIS 68 1HB HIS 68 5.987 1.133 -3.003 449 HB3 HIS 68 2HB HIS 68 5.405 -0.424 -2.421 450 HD1 HIS 68 1HD HIS 68 5.179 -2.244 -4.578 451 HD2 HIS 68 2HD HIS 68 7.963 0.831 -4.807 452 HE1 HIS 68 1HE HIS 68 6.853 -2.980 -6.304 453 HE2 HIS 68 2HE HIS 68 8.574 -1.142 -6.363 454 H ARG 69 H ARG 69 4.038 2.333 -1.911 455 HA ARG 69 HA ARG 69 2.612 1.025 0.102 456 HB2 ARG 69 1HB ARG 69 2.354 3.237 1.127 457 HB3 ARG 69 2HB ARG 69 3.990 2.999 0.526 458 HG2 ARG 69 1HG ARG 69 3.746 4.541 -1.155 459 HG3 ARG 69 2HG ARG 69 1.992 4.356 -1.216 460 HD2 ARG 69 1HD ARG 69 1.673 5.671 0.694 461 HD3 ARG 69 2HD ARG 69 3.359 5.518 1.188 462 HE ARG 69 HE ARG 69 3.501 6.816 -1.192 463 HH11 ARG 69 2HH1 ARG 69 1.754 7.372 1.767 464 HH12 ARG 69 1HH1 ARG 69 1.740 9.095 1.589 465 HH21 ARG 69 2HH2 ARG 69 3.490 9.084 -1.438 466 HH22 ARG 69 1HH2 ARG 69 2.727 10.068 -0.236 467 H ASN 70 H ASN 70 1.522 2.710 -2.721 468 HA ASN 70 HA ASN 70 -1.151 3.179 -1.840 469 HB2 ASN 70 1HB ASN 70 0.221 3.228 -4.514 470 HB3 ASN 70 2HB ASN 70 -1.530 3.384 -4.401 471 HD21 ASN 70 1HD2 ASN 70 -1.888 5.450 -4.868 472 HD22 ASN 70 2HD2 ASN 70 -1.171 6.795 -4.055 473 H ARG 71 H ARG 71 0.266 0.796 -4.083 474 HA ARG 71 HA ARG 71 -1.919 -0.666 -4.767 475 HB2 ARG 71 1HB ARG 71 0.865 -1.613 -4.098 476 HB3 ARG 71 2HB ARG 71 -0.363 -2.679 -4.765 477 HG2 ARG 71 1HG ARG 71 -0.555 -1.107 -6.701 478 HG3 ARG 71 2HG ARG 71 0.841 -0.245 -6.054 479 HD2 ARG 71 1HD ARG 71 1.586 -1.786 -7.744 480 HD3 ARG 71 2HD ARG 71 2.138 -2.351 -6.167 481 HE ARG 71 HE ARG 71 -0.145 -3.712 -6.463 482 HH11 ARG 71 2HH1 ARG 71 2.531 -3.197 -8.629 483 HH12 ARG 71 1HH1 ARG 71 2.335 -4.715 -9.441 484 HH21 ARG 71 2HH2 ARG 71 -0.415 -5.712 -7.525 485 HH22 ARG 71 1HH2 ARG 71 0.658 -6.144 -8.813 486 H ALA 72 H ALA 72 0.035 -1.170 -1.832 487 HA ALA 72 HA ALA 72 -1.120 -3.295 -0.659 488 HB1 ALA 72 1HB ALA 72 0.640 -2.099 0.443 489 HB2 ALA 72 2HB ALA 72 -0.399 -0.693 0.679 490 HB3 ALA 72 3HB ALA 72 -0.738 -2.195 1.539 491 H ALA 73 H ALA 73 -2.467 -0.005 -0.583 492 HA ALA 73 HA ALA 73 -4.690 -0.465 1.000 493 HB1 ALA 73 1HB ALA 73 -4.858 1.337 -1.385 494 HB2 ALA 73 2HB ALA 73 -5.529 1.557 0.232 495 HB3 ALA 73 3HB ALA 73 -3.794 1.727 -0.033 496 H CYS 74 H CYS 74 -4.555 -0.577 -2.565 497 HA CYS 74 HA CYS 74 -7.114 -1.338 -3.131 498 HB2 CYS 74 1HB CYS 74 -4.493 -2.019 -4.421 499 HB3 CYS 74 2HB CYS 74 -5.983 -2.723 -5.038 500 HG CYS 74 HG CYS 74 -4.794 0.382 -5.369 501 H HIS 75 H HIS 75 -4.416 -3.591 -2.525 502 HA HIS 75 HA HIS 75 -5.865 -5.956 -2.625 503 HB2 HIS 75 1HB HIS 75 -3.341 -5.144 -1.227 504 HB3 HIS 75 2HB HIS 75 -4.027 -6.738 -0.929 505 HD1 HIS 75 1HD HIS 75 -4.921 -7.447 -3.791 506 HD2 HIS 75 2HD HIS 75 -1.238 -5.777 -2.837 507 HE1 HIS 75 1HE HIS 75 -3.390 -8.067 -5.687 508 HE2 HIS 75 2HE HIS 75 -1.147 -7.118 -5.047 509 H LEU 76 H LEU 76 -5.102 -3.958 0.221 510 HA LEU 76 HA LEU 76 -6.281 -5.449 2.198 511 HB2 LEU 76 1HB LEU 76 -6.096 -2.477 1.819 512 HB3 LEU 76 2HB LEU 76 -6.812 -3.186 3.266 513 HG LEU 76 HG LEU 76 -3.987 -3.722 2.359 514 HD11 LEU 76 1HD1 LEU 76 -4.230 -1.358 2.858 515 HD12 LEU 76 2HD1 LEU 76 -3.307 -2.165 4.126 516 HD13 LEU 76 3HD1 LEU 76 -4.997 -1.744 4.399 517 HD21 LEU 76 1HD2 LEU 76 -3.817 -5.104 4.103 518 HD22 LEU 76 2HD2 LEU 76 -5.581 -5.092 4.134 519 HD23 LEU 76 3HD2 LEU 76 -4.673 -3.995 5.175 520 H LYS 77 H LYS 77 -7.876 -2.938 0.237 521 HA LYS 77 HA LYS 77 -10.447 -3.298 1.314 522 HB2 LYS 77 1HB LYS 77 -9.577 -2.248 -1.383 523 HB3 LYS 77 2HB LYS 77 -11.225 -2.156 -0.775 524 HG2 LYS 77 1HG LYS 77 -8.891 -0.968 0.694 525 HG3 LYS 77 2HG LYS 77 -9.809 -0.081 -0.526 526 HD2 LYS 77 1HD LYS 77 -11.877 -0.746 0.862 527 HD3 LYS 77 2HD LYS 77 -10.718 -1.108 2.143 528 HE2 LYS 77 1HE LYS 77 -9.873 1.175 2.038 529 HE3 LYS 77 2HE LYS 77 -10.989 1.541 0.723 530 HZ1 LYS 77 1HZ LYS 77 -12.833 1.065 2.246 531 HZ2 LYS 77 2HZ LYS 77 -11.871 2.343 2.795 532 HZ3 LYS 77 3HZ LYS 77 -11.732 0.814 3.505 533 H LEU 78 H LEU 78 -8.733 -4.927 -1.271 534 HA LEU 78 HA LEU 78 -11.102 -6.433 -2.043 535 HB2 LEU 78 1HB LEU 78 -8.268 -6.570 -3.062 536 HB3 LEU 78 2HB LEU 78 -9.646 -7.430 -3.745 537 HG LEU 78 HG LEU 78 -9.752 -4.456 -3.590 538 HD11 LEU 78 1HD1 LEU 78 -8.058 -6.054 -5.482 539 HD12 LEU 78 2HD1 LEU 78 -7.614 -4.638 -4.531 540 HD13 LEU 78 3HD1 LEU 78 -8.701 -4.468 -5.909 541 HD21 LEU 78 1HD2 LEU 78 -10.899 -4.890 -5.815 542 HD22 LEU 78 2HD2 LEU 78 -11.727 -5.468 -4.369 543 HD23 LEU 78 3HD2 LEU 78 -10.842 -6.601 -5.390 544 H GLU 79 H GLU 79 -10.470 -6.917 0.573 545 HA GLU 79 HA GLU 79 -9.669 -8.485 2.080 546 HB2 GLU 79 1HB GLU 79 -11.868 -9.275 0.813 547 HB3 GLU 79 2HB GLU 79 -10.798 -10.555 0.258 548 HG2 GLU 79 1HG GLU 79 -10.840 -9.954 3.160 549 HG3 GLU 79 2HG GLU 79 -12.236 -10.774 2.464 550 H ASP 80 H ASP 80 -7.504 -7.851 0.643 551 HA ASP 80 HA ASP 80 -6.221 -10.459 0.180 552 HB2 ASP 80 1HB ASP 80 -6.103 -7.979 -1.509 553 HB3 ASP 80 2HB ASP 80 -4.753 -9.110 -1.496 554 H TYR 81 H TYR 81 -6.125 -9.399 2.640 555 HA TYR 81 HA TYR 81 -4.089 -7.549 3.172 556 HB2 TYR 81 1HB TYR 81 -4.933 -9.834 4.960 557 HB3 TYR 81 2HB TYR 81 -4.185 -8.320 5.455 558 HD1 TYR 81 1HD TYR 81 -7.281 -9.866 4.189 559 HD2 TYR 81 2HD TYR 81 -5.485 -6.326 5.721 560 HE1 TYR 81 1HE TYR 81 -9.511 -8.874 4.495 561 HE2 TYR 81 2HE TYR 81 -7.710 -5.325 6.032 562 HH TYR 81 HH TYR 81 -9.954 -5.829 6.158 563 H ASP 82 H ASP 82 -4.012 -11.038 2.729 564 HA ASP 82 HA ASP 82 -1.516 -11.691 3.660 565 HB2 ASP 82 1HB ASP 82 -2.817 -12.701 1.121 566 HB3 ASP 82 2HB ASP 82 -1.493 -13.490 1.974 567 H LYS 83 H LYS 83 -2.283 -10.558 0.369 568 HA LYS 83 HA LYS 83 0.442 -10.380 -0.429 569 HB2 LYS 83 1HB LYS 83 -2.019 -9.082 -1.615 570 HB3 LYS 83 2HB LYS 83 -0.443 -9.167 -2.391 571 HG2 LYS 83 1HG LYS 83 -0.615 -11.650 -2.314 572 HG3 LYS 83 2HG LYS 83 -2.265 -11.465 -1.715 573 HD2 LYS 83 1HD LYS 83 -2.989 -10.462 -3.724 574 HD3 LYS 83 2HD LYS 83 -1.334 -10.192 -4.275 575 HE2 LYS 83 1HE LYS 83 -0.997 -12.541 -4.608 576 HE3 LYS 83 2HE LYS 83 -2.544 -12.919 -3.853 577 HZ1 LYS 83 1HZ LYS 83 -2.301 -11.301 -6.324 578 HZ2 LYS 83 2HZ LYS 83 -3.706 -11.972 -5.664 579 HZ3 LYS 83 3HZ LYS 83 -2.524 -12.978 -6.336 580 H ALA 84 H ALA 84 -1.975 -7.885 0.378 581 HA ALA 84 HA ALA 84 -0.629 -5.583 0.104 582 HB1 ALA 84 1HB ALA 84 -1.746 -5.361 2.679 583 HB2 ALA 84 2HB ALA 84 -2.453 -4.864 1.141 584 HB3 ALA 84 3HB ALA 84 -2.768 -6.479 1.775 585 H GLU 85 H GLU 85 -0.197 -7.827 2.820 586 HA GLU 85 HA GLU 85 1.532 -6.392 4.400 587 HB2 GLU 85 1HB GLU 85 0.554 -8.774 4.706 588 HB3 GLU 85 2HB GLU 85 2.010 -9.311 3.879 589 HG2 GLU 85 1HG GLU 85 2.547 -9.491 6.127 590 HG3 GLU 85 2HG GLU 85 3.284 -7.965 5.641 591 H THR 86 H THR 86 2.378 -8.466 1.640 592 HA THR 86 HA THR 86 5.145 -8.159 1.746 593 HB THR 86 HB THR 86 3.444 -8.493 -0.733 594 HG1 THR 86 1HG THR 86 3.140 -10.447 -0.004 595 HG21 THR 86 1HG2 THR 86 5.914 -7.805 -0.961 596 HG22 THR 86 2HG2 THR 86 5.365 -9.220 -1.860 597 HG23 THR 86 3HG2 THR 86 6.275 -9.424 -0.364 598 H GLU 87 H GLU 87 2.822 -6.351 -0.273 599 HA GLU 87 HA GLU 87 4.549 -4.577 -1.463 600 HB2 GLU 87 1HB GLU 87 1.745 -4.027 -0.476 601 HB3 GLU 87 2HB GLU 87 2.624 -3.024 -1.622 602 HG2 GLU 87 1HG GLU 87 1.948 -5.918 -2.083 603 HG3 GLU 87 2HG GLU 87 0.976 -4.565 -2.656 604 H ALA 88 H ALA 88 2.640 -3.830 1.459 605 HA ALA 88 HA ALA 88 3.560 -1.448 2.220 606 HB1 ALA 88 1HB ALA 88 3.439 -3.756 4.155 607 HB2 ALA 88 2HB ALA 88 3.223 -2.043 4.518 608 HB3 ALA 88 3HB ALA 88 2.027 -2.895 3.542 609 H SER 89 H SER 89 5.283 -4.434 3.155 610 HA SER 89 HA SER 89 7.513 -3.242 4.284 611 HB2 SER 89 1HB SER 89 6.902 -5.701 4.316 612 HB3 SER 89 2HB SER 89 7.592 -5.813 2.697 613 HG SER 89 HG SER 89 9.551 -4.921 3.676 614 H LYS 90 H LYS 90 7.114 -4.369 0.929 615 HA LYS 90 HA LYS 90 9.571 -3.698 -0.098 616 HB2 LYS 90 1HB LYS 90 6.872 -3.431 -1.436 617 HB3 LYS 90 2HB LYS 90 8.415 -3.407 -2.280 618 HG2 LYS 90 1HG LYS 90 8.796 -5.707 -1.169 619 HG3 LYS 90 2HG LYS 90 7.049 -5.686 -0.912 620 HD2 LYS 90 1HD LYS 90 8.345 -5.252 -3.599 621 HD3 LYS 90 2HD LYS 90 7.811 -6.831 -3.017 622 HE2 LYS 90 1HE LYS 90 5.544 -6.127 -2.936 623 HE3 LYS 90 2HE LYS 90 5.991 -4.439 -3.178 624 HZ1 LYS 90 1HZ LYS 90 5.897 -6.633 -5.131 625 HZ2 LYS 90 2HZ LYS 90 6.971 -5.352 -5.385 626 HZ3 LYS 90 3HZ LYS 90 5.310 -5.052 -5.265 627 H ALA 91 H ALA 91 6.723 -1.587 0.180 628 HA ALA 91 HA ALA 91 7.879 0.701 -0.960 629 HB1 ALA 91 1HB ALA 91 5.545 0.706 -0.759 630 HB2 ALA 91 2HB ALA 91 5.604 0.315 0.961 631 HB3 ALA 91 3HB ALA 91 6.094 1.914 0.403 632 H ILE 92 H ILE 92 8.341 -0.778 2.105 633 HA ILE 92 HA ILE 92 9.350 1.617 3.386 634 HB ILE 92 HB ILE 92 9.301 -1.259 4.301 635 HG12 ILE 92 1HG1 ILE 92 7.720 1.127 5.276 636 HG13 ILE 92 2HG1 ILE 92 7.109 -0.054 4.122 637 HG21 ILE 92 1HG2 ILE 92 10.846 -0.693 5.795 638 HG22 ILE 92 2HG2 ILE 92 10.802 0.994 5.286 639 HG23 ILE 92 3HG2 ILE 92 9.667 0.411 6.503 640 HD11 ILE 92 1HD1 ILE 92 7.901 -1.675 6.131 641 HD12 ILE 92 2HD1 ILE 92 7.417 -0.236 7.029 642 HD13 ILE 92 3HD1 ILE 92 6.270 -1.030 5.950 643 H GLU 93 H GLU 93 10.748 -1.584 2.641 644 HA GLU 93 HA GLU 93 13.398 -0.946 3.154 645 HB2 GLU 93 1HB GLU 93 13.924 -2.824 1.539 646 HB3 GLU 93 2HB GLU 93 12.842 -3.230 2.864 647 HG2 GLU 93 1HG GLU 93 10.924 -3.005 1.370 648 HG3 GLU 93 2HG GLU 93 12.009 -2.599 0.041 649 H LYS 94 H LYS 94 11.395 0.161 0.653 650 HA LYS 94 HA LYS 94 13.353 0.575 -1.369 651 HB2 LYS 94 1HB LYS 94 10.559 1.479 -0.875 652 HB3 LYS 94 2HB LYS 94 11.522 2.399 -2.025 653 HG2 LYS 94 1HG LYS 94 11.347 -0.574 -2.257 654 HG3 LYS 94 2HG LYS 94 10.042 0.449 -2.862 655 HD2 LYS 94 1HD LYS 94 11.628 1.648 -4.278 656 HD3 LYS 94 2HD LYS 94 12.948 0.656 -3.654 657 HE2 LYS 94 1HE LYS 94 10.563 -0.628 -4.925 658 HE3 LYS 94 2HE LYS 94 11.845 0.050 -5.928 659 HZ1 LYS 94 1HZ LYS 94 13.286 -1.561 -5.334 660 HZ2 LYS 94 2HZ LYS 94 11.872 -2.441 -5.040 661 HZ3 LYS 94 3HZ LYS 94 12.686 -1.697 -3.758 662 H ASP 95 H ASP 95 11.726 2.898 0.799 663 HA ASP 95 HA ASP 95 14.034 4.691 0.466 664 HB2 ASP 95 1HB ASP 95 12.545 6.505 1.159 665 HB3 ASP 95 2HB ASP 95 11.867 5.638 -0.216 666 H GLY 96 H GLY 96 11.926 3.167 2.845 667 HA2 GLY 96 1HA GLY 96 12.759 2.398 4.943 668 HA3 GLY 96 2HA GLY 96 14.003 3.637 4.868 669 H GLY 97 H GLY 97 12.739 5.944 4.525 670 HA2 GLY 97 1HA GLY 97 11.309 6.241 7.040 671 HA3 GLY 97 2HA GLY 97 11.903 7.541 6.017 672 H ASP 98 H ASP 98 9.578 4.849 5.718 673 HA ASP 98 HA ASP 98 7.637 6.797 4.658 674 HB2 ASP 98 1HB ASP 98 8.671 5.026 3.041 675 HB3 ASP 98 2HB ASP 98 7.582 3.907 3.855 676 H VAL 99 H VAL 99 6.985 6.980 6.924 677 HA VAL 99 HA VAL 99 6.020 4.874 8.478 678 HB VAL 99 HB VAL 99 4.826 6.520 9.781 679 HG11 VAL 99 1HG1 VAL 99 7.145 6.524 10.222 680 HG12 VAL 99 2HG1 VAL 99 7.502 7.423 8.746 681 HG13 VAL 99 3HG1 VAL 99 6.680 8.220 10.088 682 HG21 VAL 99 1HG2 VAL 99 4.943 8.056 7.260 683 HG22 VAL 99 2HG2 VAL 99 3.682 7.990 8.492 684 HG23 VAL 99 3HG2 VAL 99 5.119 8.979 8.753 685 H LYS 100 H LYS 100 4.623 6.485 5.755 686 HA LYS 100 HA LYS 100 1.910 6.039 6.136 687 HB2 LYS 100 1HB LYS 100 3.630 6.181 3.678 688 HB3 LYS 100 2HB LYS 100 1.912 5.832 3.546 689 HG2 LYS 100 1HG LYS 100 2.730 8.190 5.151 690 HG3 LYS 100 2HG LYS 100 2.858 8.291 3.393 691 HD2 LYS 100 1HD LYS 100 0.712 9.086 3.822 692 HD3 LYS 100 2HD LYS 100 0.438 7.397 3.388 693 HE2 LYS 100 1HE LYS 100 0.876 8.054 6.253 694 HE3 LYS 100 2HE LYS 100 -0.670 8.497 5.530 695 HZ1 LYS 100 1HZ LYS 100 -0.189 6.118 6.595 696 HZ2 LYS 100 2HZ LYS 100 0.267 5.797 4.998 697 HZ3 LYS 100 3HZ LYS 100 -1.294 6.356 5.336 698 H ALA 101 H ALA 101 4.205 3.943 4.382 699 HA ALA 101 HA ALA 101 2.395 1.818 4.002 700 HB1 ALA 101 1HB ALA 101 5.208 1.043 4.209 701 HB2 ALA 101 2HB ALA 101 4.074 0.860 2.871 702 HB3 ALA 101 3HB ALA 101 4.910 2.394 3.115 703 H LEU 102 H LEU 102 4.511 2.670 6.651 704 HA LEU 102 HA LEU 102 4.599 0.228 8.004 705 HB2 LEU 102 1HB LEU 102 4.906 3.080 8.771 706 HB3 LEU 102 2HB LEU 102 4.688 1.901 10.063 707 HG LEU 102 HG LEU 102 6.816 1.491 7.998 708 HD11 LEU 102 1HD1 LEU 102 8.171 2.616 10.059 709 HD12 LEU 102 2HD1 LEU 102 6.711 3.604 10.031 710 HD13 LEU 102 3HD1 LEU 102 7.708 3.464 8.584 711 HD21 LEU 102 1HD2 LEU 102 6.212 -0.299 9.603 712 HD22 LEU 102 2HD2 LEU 102 6.660 0.780 10.925 713 HD23 LEU 102 3HD2 LEU 102 7.880 0.252 9.764 714 H TYR 103 H TYR 103 2.332 2.945 8.402 715 HA TYR 103 HA TYR 103 0.738 1.777 10.382 716 HB2 TYR 103 1HB TYR 103 0.651 4.169 9.773 717 HB3 TYR 103 2HB TYR 103 -0.102 3.744 8.240 718 HD1 TYR 103 2HD TYR 103 -0.796 2.362 11.625 719 HD2 TYR 103 1HD TYR 103 -2.224 4.712 8.378 720 HE1 TYR 103 2HE TYR 103 -3.011 2.472 12.687 721 HE2 TYR 103 1HE TYR 103 -4.444 4.830 9.432 722 HH TYR 103 HH TYR 103 -5.064 3.308 12.582 723 H ARG 104 H ARG 104 0.631 1.529 6.873 724 HA ARG 104 HA ARG 104 -1.857 0.168 6.728 725 HB2 ARG 104 1HB ARG 104 0.450 0.186 4.772 726 HB3 ARG 104 2HB ARG 104 -1.177 -0.386 4.426 727 HG2 ARG 104 1HG ARG 104 -0.821 2.397 5.415 728 HG3 ARG 104 2HG ARG 104 -0.409 2.023 3.740 729 HD2 ARG 104 1HD ARG 104 -2.617 2.596 3.512 730 HD3 ARG 104 2HD ARG 104 -2.758 0.856 3.756 731 HE ARG 104 HE ARG 104 -2.888 2.103 6.254 732 HH11 ARG 104 2HH1 ARG 104 -4.738 1.864 3.314 733 HH12 ARG 104 1HH1 ARG 104 -6.263 2.105 4.101 734 HH21 ARG 104 2HH2 ARG 104 -4.890 2.420 7.301 735 HH22 ARG 104 1HH2 ARG 104 -6.348 2.422 6.368 736 H ARG 105 H ARG 105 1.514 -0.963 6.635 737 HA ARG 105 HA ARG 105 1.127 -3.654 6.259 738 HB2 ARG 105 1HB ARG 105 3.313 -2.293 6.566 739 HB3 ARG 105 2HB ARG 105 3.127 -2.673 8.273 740 HG2 ARG 105 1HG ARG 105 3.349 -4.987 7.888 741 HG3 ARG 105 2HG ARG 105 3.150 -4.790 6.145 742 HD2 ARG 105 1HD ARG 105 5.292 -4.053 5.845 743 HD3 ARG 105 2HD ARG 105 5.394 -3.358 7.463 744 HE ARG 105 HE ARG 105 5.232 -6.146 7.690 745 HH11 ARG 105 2HH1 ARG 105 7.421 -3.684 6.565 746 HH12 ARG 105 1HH1 ARG 105 8.845 -4.617 6.891 747 HH21 ARG 105 2HH2 ARG 105 7.099 -7.384 8.125 748 HH22 ARG 105 1HH2 ARG 105 8.660 -6.721 7.778 749 H SER 106 H SER 106 0.888 -1.832 9.281 750 HA SER 106 HA SER 106 0.619 -3.917 11.081 751 HB2 SER 106 1HB SER 106 -0.366 -2.350 12.580 752 HB3 SER 106 2HB SER 106 0.757 -1.426 11.583 753 HG SER 106 HG SER 106 -1.104 -0.270 11.583 754 H GLN 107 H GLN 107 -1.862 -2.370 9.083 755 HA GLN 107 HA GLN 107 -4.114 -3.633 10.098 756 HB2 GLN 107 1HB GLN 107 -3.620 -2.942 7.198 757 HB3 GLN 107 2HB GLN 107 -5.184 -3.142 7.977 758 HG2 GLN 107 1HG GLN 107 -4.344 -1.226 9.527 759 HG3 GLN 107 2HG GLN 107 -3.230 -0.904 8.199 760 HE21 GLN 107 1HE2 GLN 107 -6.429 -0.626 9.353 761 HE22 GLN 107 2HE2 GLN 107 -7.104 0.166 7.974 762 H ALA 108 H ALA 108 -1.938 -4.709 7.505 763 HA ALA 108 HA ALA 108 -3.323 -7.095 6.912 764 HB1 ALA 108 1HB ALA 108 -0.440 -6.331 6.482 765 HB2 ALA 108 2HB ALA 108 -1.190 -7.788 5.830 766 HB3 ALA 108 3HB ALA 108 -1.766 -6.199 5.327 767 H LEU 109 H LEU 109 -0.728 -6.343 9.182 768 HA LEU 109 HA LEU 109 -0.153 -9.004 9.937 769 HB2 LEU 109 1HB LEU 109 0.199 -6.431 11.467 770 HB3 LEU 109 2HB LEU 109 0.899 -7.982 11.924 771 HG LEU 109 HG LEU 109 1.527 -6.646 9.304 772 HD11 LEU 109 1HD1 LEU 109 2.053 -5.307 11.484 773 HD12 LEU 109 2HD1 LEU 109 3.269 -5.460 10.217 774 HD13 LEU 109 3HD1 LEU 109 3.357 -6.482 11.652 775 HD21 LEU 109 1HD2 LEU 109 3.693 -8.066 9.970 776 HD22 LEU 109 2HD2 LEU 109 2.343 -8.743 9.059 777 HD23 LEU 109 3HD2 LEU 109 2.462 -9.020 10.797 778 H GLU 110 H GLU 110 -1.984 -6.496 11.701 779 HA GLU 110 HA GLU 110 -2.933 -8.066 13.761 780 HB2 GLU 110 1HB GLU 110 -4.200 -5.711 12.365 781 HB3 GLU 110 2HB GLU 110 -4.883 -6.442 13.810 782 HG2 GLU 110 1HG GLU 110 -3.007 -5.836 15.117 783 HG3 GLU 110 2HG GLU 110 -2.077 -5.381 13.691 784 H LYS 111 H LYS 111 -3.974 -7.932 10.447 785 HA LYS 111 HA LYS 111 -6.457 -9.310 10.879 786 HB2 LYS 111 1HB LYS 111 -6.424 -7.919 8.978 787 HB3 LYS 111 2HB LYS 111 -4.875 -8.550 8.436 788 HG2 LYS 111 1HG LYS 111 -6.653 -9.360 7.018 789 HG3 LYS 111 2HG LYS 111 -5.940 -10.698 7.921 790 HD2 LYS 111 1HD LYS 111 -8.255 -11.055 8.056 791 HD3 LYS 111 2HD LYS 111 -7.825 -10.332 9.608 792 HE2 LYS 111 1HE LYS 111 -8.422 -8.094 8.454 793 HE3 LYS 111 2HE LYS 111 -9.261 -9.108 7.282 794 HZ1 LYS 111 1HZ LYS 111 -10.624 -8.254 9.201 795 HZ2 LYS 111 2HZ LYS 111 -9.755 -9.311 10.194 796 HZ3 LYS 111 3HZ LYS 111 -10.699 -9.922 8.931 797 H LEU 112 H LEU 112 -3.322 -10.214 9.449 798 HA LEU 112 HA LEU 112 -3.950 -12.912 8.992 799 HB2 LEU 112 1HB LEU 112 -1.329 -11.503 9.431 800 HB3 LEU 112 2HB LEU 112 -1.438 -13.217 9.035 801 HG LEU 112 HG LEU 112 -2.593 -11.073 7.267 802 HD11 LEU 112 1HD1 LEU 112 0.190 -12.205 7.330 803 HD12 LEU 112 2HD1 LEU 112 -0.304 -10.513 7.363 804 HD13 LEU 112 3HD1 LEU 112 -0.509 -11.463 5.891 805 HD21 LEU 112 1HD2 LEU 112 -1.968 -13.071 5.638 806 HD22 LEU 112 2HD2 LEU 112 -3.503 -13.014 6.504 807 HD23 LEU 112 3HD2 LEU 112 -2.180 -14.007 7.118 808 H GLY 113 H GLY 113 -3.146 -11.209 11.878 809 HA2 GLY 113 1HA GLY 113 -3.685 -12.209 14.003 810 HA3 GLY 113 2HA GLY 113 -3.200 -13.765 13.344 811 H ARG 114 H ARG 114 -1.385 -10.776 12.974 812 HA ARG 114 HA ARG 114 0.718 -11.933 14.684 813 HB2 ARG 114 1HB ARG 114 0.993 -10.242 12.195 814 HB3 ARG 114 2HB ARG 114 2.332 -10.669 13.252 815 HG2 ARG 114 1HG ARG 114 2.012 -13.017 12.762 816 HG3 ARG 114 2HG ARG 114 0.601 -12.639 11.771 817 HD2 ARG 114 1HD ARG 114 2.269 -12.868 10.186 818 HD3 ARG 114 2HD ARG 114 2.245 -11.126 10.457 819 HE ARG 114 HE ARG 114 4.389 -11.286 11.204 820 HH11 ARG 114 2HH1 ARG 114 2.877 -14.406 11.525 821 HH12 ARG 114 1HH1 ARG 114 4.322 -15.195 12.065 822 HH21 ARG 114 2HH2 ARG 114 6.297 -12.314 11.914 823 HH22 ARG 114 1HH2 ARG 114 6.266 -14.005 12.287 824 H LEU 115 H LEU 115 -0.893 -10.609 16.174 825 HA LEU 115 HA LEU 115 -0.774 -7.813 16.233 826 HB2 LEU 115 1HB LEU 115 -1.003 -9.591 18.649 827 HB3 LEU 115 2HB LEU 115 -1.620 -7.951 18.453 828 HG LEU 115 HG LEU 115 -2.646 -10.303 16.873 829 HD11 LEU 115 1HD1 LEU 115 -4.024 -10.904 18.523 830 HD12 LEU 115 2HD1 LEU 115 -4.363 -9.234 18.974 831 HD13 LEU 115 3HD1 LEU 115 -2.916 -10.035 19.585 832 HD21 LEU 115 1HD2 LEU 115 -4.607 -8.372 17.151 833 HD22 LEU 115 2HD2 LEU 115 -3.626 -8.671 15.716 834 HD23 LEU 115 3HD2 LEU 115 -3.131 -7.444 16.883 835 H ASP 116 H ASP 116 1.512 -10.217 17.210 836 HA ASP 116 HA ASP 116 3.030 -8.691 19.033 837 HB2 ASP 116 1HB ASP 116 3.830 -10.992 17.242 838 HB3 ASP 116 2HB ASP 116 4.855 -10.322 18.508 839 H GLN 117 H GLN 117 3.158 -9.031 15.526 840 HA GLN 117 HA GLN 117 5.511 -7.381 15.285 841 HB2 GLN 117 1HB GLN 117 3.617 -8.587 13.274 842 HB3 GLN 117 2HB GLN 117 4.941 -7.529 12.807 843 HG2 GLN 117 1HG GLN 117 5.443 -9.949 12.604 844 HG3 GLN 117 2HG GLN 117 6.561 -9.060 13.638 845 HE21 GLN 117 1HE2 GLN 117 4.309 -11.610 13.428 846 HE22 GLN 117 2HE2 GLN 117 4.401 -12.137 15.070 847 H ALA 118 H ALA 118 2.044 -7.032 14.637 848 HA ALA 118 HA ALA 118 1.875 -4.614 13.430 849 HB1 ALA 118 1HB ALA 118 -0.112 -5.832 13.925 850 HB2 ALA 118 2HB ALA 118 0.159 -5.682 15.662 851 HB3 ALA 118 3HB ALA 118 -0.249 -4.257 14.706 852 H VAL 119 H VAL 119 2.636 -5.201 16.816 853 HA VAL 119 HA VAL 119 2.478 -2.514 17.684 854 HB VAL 119 HB VAL 119 4.132 -4.771 18.824 855 HG11 VAL 119 1HG1 VAL 119 3.134 -2.586 20.539 856 HG12 VAL 119 2HG1 VAL 119 4.660 -3.471 20.597 857 HG13 VAL 119 3HG1 VAL 119 4.438 -2.169 19.427 858 HG21 VAL 119 1HG2 VAL 119 1.643 -3.929 20.147 859 HG22 VAL 119 2HG2 VAL 119 1.436 -4.737 18.594 860 HG23 VAL 119 3HG2 VAL 119 2.308 -5.544 19.897 861 H LEU 120 H LEU 120 5.321 -4.526 16.907 862 HA LEU 120 HA LEU 120 7.278 -2.598 17.183 863 HB2 LEU 120 1HB LEU 120 7.261 -4.739 15.066 864 HB3 LEU 120 2HB LEU 120 8.670 -3.960 15.785 865 HG LEU 120 HG LEU 120 6.826 -5.505 17.548 866 HD11 LEU 120 1HD1 LEU 120 7.893 -6.660 15.252 867 HD12 LEU 120 2HD1 LEU 120 7.259 -7.496 16.669 868 HD13 LEU 120 3HD1 LEU 120 8.983 -7.141 16.553 869 HD21 LEU 120 1HD2 LEU 120 9.704 -4.701 17.499 870 HD22 LEU 120 2HD2 LEU 120 9.190 -6.085 18.463 871 HD23 LEU 120 3HD2 LEU 120 8.502 -4.491 18.771 872 H ASP 121 H ASP 121 5.522 -3.474 14.210 873 HA ASP 121 HA ASP 121 6.703 -1.589 12.526 874 HB2 ASP 121 1HB ASP 121 4.103 -3.072 12.498 875 HB3 ASP 121 2HB ASP 121 4.368 -1.786 11.325 876 H LEU 122 H LEU 122 3.805 -1.340 14.553 877 HA LEU 122 HA LEU 122 3.119 1.288 13.742 878 HB2 LEU 122 1HB LEU 122 2.383 -0.450 16.066 879 HB3 LEU 122 2HB LEU 122 1.866 1.234 16.008 880 HG LEU 122 HG LEU 122 1.194 -0.854 13.936 881 HD11 LEU 122 1HD1 LEU 122 0.180 -0.720 16.463 882 HD12 LEU 122 2HD1 LEU 122 -0.667 -1.376 15.062 883 HD13 LEU 122 3HD1 LEU 122 -0.950 0.292 15.562 884 HD21 LEU 122 1HD2 LEU 122 0.931 2.042 14.047 885 HD22 LEU 122 2HD2 LEU 122 -0.605 1.223 13.759 886 HD23 LEU 122 3HD2 LEU 122 0.762 0.940 12.680 887 H GLN 123 H GLN 123 5.293 -0.002 16.141 888 HA GLN 123 HA GLN 123 5.598 2.288 17.743 889 HB2 GLN 123 1HB GLN 123 7.421 -0.037 17.154 890 HB3 GLN 123 2HB GLN 123 7.874 1.249 18.265 891 HG2 GLN 123 1HG GLN 123 5.269 -0.130 18.658 892 HG3 GLN 123 2HG GLN 123 6.755 -0.959 19.121 893 HE21 GLN 123 1HE2 GLN 123 6.654 -0.887 21.280 894 HE22 GLN 123 2HE2 GLN 123 6.557 0.560 22.217 895 H ARG 124 H ARG 124 6.613 1.623 14.554 896 HA ARG 124 HA ARG 124 8.799 3.526 14.574 897 HB2 ARG 124 1HB ARG 124 7.528 2.052 12.260 898 HB3 ARG 124 2HB ARG 124 9.022 2.976 12.198 899 HG2 ARG 124 1HG ARG 124 9.918 1.384 13.951 900 HG3 ARG 124 2HG ARG 124 8.499 0.388 13.623 901 HD2 ARG 124 1HD ARG 124 9.965 -0.557 12.155 902 HD3 ARG 124 2HD ARG 124 9.299 0.709 11.124 903 HE ARG 124 HE ARG 124 11.648 1.495 12.595 904 HH11 ARG 124 2HH1 ARG 124 10.428 0.036 9.679 905 HH12 ARG 124 1HH1 ARG 124 11.846 0.394 8.751 906 HH21 ARG 124 2HH2 ARG 124 13.521 1.973 11.384 907 HH22 ARG 124 1HH2 ARG 124 13.605 1.495 9.722 908 H CYS 125 H CYS 125 5.694 3.236 12.839 909 HA CYS 125 HA CYS 125 5.643 5.669 11.576 910 HB2 CYS 125 1HB CYS 125 3.217 5.488 11.549 911 HB3 CYS 125 2HB CYS 125 3.935 3.903 11.290 912 HG CYS 125 HG CYS 125 1.701 3.497 12.855 913 H VAL 126 H VAL 126 5.423 5.039 14.946 914 HA VAL 126 HA VAL 126 4.238 7.603 15.598 915 HB VAL 126 HB VAL 126 5.438 5.516 17.424 916 HG11 VAL 126 1HG1 VAL 126 5.448 7.454 18.688 917 HG12 VAL 126 2HG1 VAL 126 3.996 8.090 17.914 918 HG13 VAL 126 3HG1 VAL 126 3.870 6.766 19.072 919 HG21 VAL 126 1HG2 VAL 126 2.511 6.036 17.057 920 HG22 VAL 126 2HG2 VAL 126 3.374 4.933 15.985 921 HG23 VAL 126 3HG2 VAL 126 3.315 4.612 17.718 922 H SER 127 H SER 127 7.401 6.154 15.401 923 HA SER 127 HA SER 127 8.770 8.153 16.907 924 HB2 SER 127 1HB SER 127 9.612 5.810 16.445 925 HB3 SER 127 2HB SER 127 9.969 6.344 14.802 926 HG SER 127 HG SER 127 11.783 6.526 16.196 927 H LEU 128 H LEU 128 8.683 7.468 13.405 928 HA LEU 128 HA LEU 128 10.033 9.801 12.621 929 HB2 LEU 128 1HB LEU 128 8.350 7.761 11.290 930 HB3 LEU 128 2HB LEU 128 8.564 9.293 10.445 931 HG LEU 128 HG LEU 128 10.966 7.818 11.434 932 HD11 LEU 128 1HD1 LEU 128 9.085 6.611 9.755 933 HD12 LEU 128 2HD1 LEU 128 10.748 6.103 10.045 934 HD13 LEU 128 3HD1 LEU 128 10.377 7.176 8.695 935 HD21 LEU 128 1HD2 LEU 128 10.748 9.208 8.817 936 HD22 LEU 128 2HD2 LEU 128 12.109 9.101 9.934 937 HD23 LEU 128 3HD2 LEU 128 10.766 10.191 10.282 938 H GLU 129 H GLU 129 6.832 9.320 13.722 939 HA GLU 129 HA GLU 129 6.202 12.113 13.073 940 HB2 GLU 129 1HB GLU 129 4.202 9.857 12.877 941 HB3 GLU 129 2HB GLU 129 3.924 11.550 12.495 942 HG2 GLU 129 1HG GLU 129 5.878 11.155 10.790 943 HG3 GLU 129 2HG GLU 129 5.381 9.472 10.951 944 HA PRO 130 HA PRO 130 5.661 11.595 17.559 945 HB2 PRO 130 1HB PRO 130 6.075 14.220 18.116 946 HB3 PRO 130 2HB PRO 130 7.395 13.070 17.870 947 HG2 PRO 130 1HG PRO 130 6.226 15.052 15.954 948 HG3 PRO 130 2HG PRO 130 7.928 14.653 16.252 949 HD2 PRO 130 1HD PRO 130 6.550 13.671 14.138 950 HD3 PRO 130 2HD PRO 130 7.844 12.759 14.941 951 H LYS 131 H LYS 131 4.362 14.263 15.589 952 HA LYS 131 HA LYS 131 2.173 14.781 17.341 953 HB2 LYS 131 1HB LYS 131 2.646 15.560 14.459 954 HB3 LYS 131 2HB LYS 131 1.314 16.157 15.440 955 HG2 LYS 131 1HG LYS 131 2.842 17.248 16.943 956 HG3 LYS 131 2HG LYS 131 4.226 16.545 16.102 957 HD2 LYS 131 1HD LYS 131 4.091 18.724 15.263 958 HD3 LYS 131 2HD LYS 131 3.321 17.736 14.019 959 HE2 LYS 131 1HE LYS 131 1.157 18.293 15.436 960 HE3 LYS 131 2HE LYS 131 2.124 19.683 15.924 961 HZ1 LYS 131 1HZ LYS 131 2.433 20.215 13.567 962 HZ2 LYS 131 2HZ LYS 131 0.800 20.229 14.007 963 HZ3 LYS 131 3HZ LYS 131 1.430 18.921 13.139 964 H ASN 132 H ASN 132 2.599 12.872 14.407 965 HA ASN 132 HA ASN 132 0.024 12.293 13.696 966 HB2 ASN 132 1HB ASN 132 2.549 10.682 13.635 967 HB3 ASN 132 2HB ASN 132 1.029 9.919 13.174 968 HD21 ASN 132 1HD2 ASN 132 2.354 13.166 12.649 969 HD22 ASN 132 2HD2 ASN 132 2.206 13.133 10.928 970 H LYS 133 H LYS 133 -1.393 12.187 15.425 971 HA LYS 133 HA LYS 133 -1.012 10.389 17.616 972 HB2 LYS 133 1HB LYS 133 -2.475 12.589 17.379 973 HB3 LYS 133 2HB LYS 133 -3.716 11.434 16.911 974 HG2 LYS 133 1HG LYS 133 -2.883 10.222 19.119 975 HG3 LYS 133 2HG LYS 133 -2.421 11.874 19.538 976 HD2 LYS 133 1HD LYS 133 -5.144 11.400 18.432 977 HD3 LYS 133 2HD LYS 133 -4.822 10.928 20.102 978 HE2 LYS 133 1HE LYS 133 -4.118 13.179 20.638 979 HE3 LYS 133 2HE LYS 133 -4.300 13.668 18.954 980 HZ1 LYS 133 1HZ LYS 133 -6.418 12.965 20.894 981 HZ2 LYS 133 2HZ LYS 133 -6.710 12.982 19.228 982 HZ3 LYS 133 3HZ LYS 133 -6.229 14.400 20.017 983 H VAL 134 H VAL 134 -2.801 10.302 14.585 984 HA VAL 134 HA VAL 134 -4.509 8.232 14.829 985 HB VAL 134 HB VAL 134 -2.585 8.651 12.538 986 HG11 VAL 134 1HG1 VAL 134 -5.146 7.058 12.617 987 HG12 VAL 134 2HG1 VAL 134 -4.157 7.363 11.188 988 HG13 VAL 134 3HG1 VAL 134 -3.518 6.389 12.512 989 HG21 VAL 134 1HG2 VAL 134 -4.540 9.768 11.493 990 HG22 VAL 134 2HG2 VAL 134 -5.405 9.608 13.021 991 HG23 VAL 134 3HG2 VAL 134 -3.948 10.597 12.933 992 H PHE 135 H PHE 135 -1.031 8.029 14.911 993 HA PHE 135 HA PHE 135 -0.945 5.163 14.656 994 HB2 PHE 135 1HB PHE 135 1.206 7.075 15.591 995 HB3 PHE 135 2HB PHE 135 1.443 5.397 15.114 996 HD1 PHE 135 1HD PHE 135 -0.302 5.313 12.702 997 HD2 PHE 135 2HD PHE 135 2.501 8.226 14.031 998 HE1 PHE 135 1HE PHE 135 0.057 6.025 10.374 999 HE2 PHE 135 2HE PHE 135 2.864 8.944 11.706 1000 HZ PHE 135 HZ PHE 135 1.640 7.844 9.874 1001 H GLN 136 H GLN 136 -0.226 7.433 17.311 1002 HA GLN 136 HA GLN 136 0.219 5.618 19.331 1003 HB2 GLN 136 1HB GLN 136 -1.127 8.318 19.479 1004 HB3 GLN 136 2HB GLN 136 -0.588 7.410 20.885 1005 HG2 GLN 136 1HG GLN 136 1.655 7.697 20.370 1006 HG3 GLN 136 2HG GLN 136 1.319 8.083 18.684 1007 HE21 GLN 136 1HE2 GLN 136 2.376 10.012 18.634 1008 HE22 GLN 136 2HE2 GLN 136 1.867 11.404 19.521 1009 H GLU 137 H GLU 137 -2.889 6.968 18.275 1010 HA GLU 137 HA GLU 137 -4.491 5.699 20.198 1011 HB2 GLU 137 1HB GLU 137 -6.327 6.415 18.958 1012 HB3 GLU 137 2HB GLU 137 -5.084 7.578 18.521 1013 HG2 GLU 137 1HG GLU 137 -4.724 6.545 16.423 1014 HG3 GLU 137 2HG GLU 137 -5.689 5.140 16.875 1015 H ALA 138 H ALA 138 -3.206 4.600 17.132 1016 HA ALA 138 HA ALA 138 -4.801 2.204 17.063 1017 HB1 ALA 138 1HB ALA 138 -4.090 2.028 14.956 1018 HB2 ALA 138 2HB ALA 138 -3.369 3.621 15.188 1019 HB3 ALA 138 3HB ALA 138 -2.396 2.170 15.426 1020 H LEU 139 H LEU 139 -1.593 3.116 18.149 1021 HA LEU 139 HA LEU 139 -0.661 0.441 18.534 1022 HB2 LEU 139 1HB LEU 139 0.787 2.456 18.191 1023 HB3 LEU 139 2HB LEU 139 0.365 2.962 19.826 1024 HG LEU 139 HG LEU 139 1.344 0.704 20.564 1025 HD11 LEU 139 1HD1 LEU 139 2.367 -0.628 19.099 1026 HD12 LEU 139 2HD1 LEU 139 3.173 0.723 18.303 1027 HD13 LEU 139 3HD1 LEU 139 1.525 0.290 17.850 1028 HD21 LEU 139 1HD2 LEU 139 3.738 1.898 19.837 1029 HD22 LEU 139 2HD2 LEU 139 2.815 2.198 21.310 1030 HD23 LEU 139 3HD2 LEU 139 2.587 3.233 19.899 1031 H ARG 140 H ARG 140 -1.481 3.012 20.873 1032 HA ARG 140 HA ARG 140 -1.364 1.587 23.199 1033 HB2 ARG 140 1HB ARG 140 -3.409 3.684 22.449 1034 HB3 ARG 140 2HB ARG 140 -3.087 3.138 24.089 1035 HG2 ARG 140 1HG ARG 140 -0.616 3.832 23.440 1036 HG3 ARG 140 2HG ARG 140 -1.479 4.885 22.317 1037 HD2 ARG 140 1HD ARG 140 -1.053 6.052 24.398 1038 HD3 ARG 140 2HD ARG 140 -2.784 5.787 24.192 1039 HE ARG 140 HE ARG 140 -1.600 3.701 25.712 1040 HH11 ARG 140 2HH1 ARG 140 -2.681 7.004 25.909 1041 HH12 ARG 140 1HH1 ARG 140 -3.004 6.934 27.610 1042 HH21 ARG 140 2HH2 ARG 140 -2.021 3.596 27.952 1043 HH22 ARG 140 1HH2 ARG 140 -2.628 4.996 28.771 1044 H ASN 141 H ASN 141 -3.612 1.193 20.634 1045 HA ASN 141 HA ASN 141 -5.734 0.000 22.094 1046 HB2 ASN 141 1HB ASN 141 -4.944 -0.105 19.182 1047 HB3 ASN 141 2HB ASN 141 -6.371 -0.924 19.809 1048 HD21 ASN 141 1HD2 ASN 141 -6.912 0.782 17.934 1049 HD22 ASN 141 2HD2 ASN 141 -7.558 2.264 18.543 1050 H ILE 142 H ILE 142 -3.326 -1.503 19.927 1051 HA ILE 142 HA ILE 142 -3.886 -4.120 20.994 1052 HB ILE 142 HB ILE 142 -2.451 -4.985 19.366 1053 HG12 ILE 142 1HG1 ILE 142 -1.177 -2.245 19.227 1054 HG13 ILE 142 2HG1 ILE 142 -0.454 -3.709 19.885 1055 HG21 ILE 142 1HG2 ILE 142 -4.476 -3.740 18.507 1056 HG22 ILE 142 2HG2 ILE 142 -3.374 -2.441 18.056 1057 HG23 ILE 142 3HG2 ILE 142 -3.196 -4.039 17.332 1058 HD11 ILE 142 1HD1 ILE 142 -0.355 -4.701 17.707 1059 HD12 ILE 142 2HD1 ILE 142 -1.242 -3.346 17.006 1060 HD13 ILE 142 3HD1 ILE 142 0.383 -3.100 17.645 1061 H SER 143 H SER 143 -1.162 -1.846 21.090 1062 HA SER 143 HA SER 143 0.602 -3.431 22.573 1063 HB2 SER 143 1HB SER 143 1.269 -1.352 21.416 1064 HB3 SER 143 2HB SER 143 0.353 -0.413 22.594 1065 HG SER 143 HG SER 143 1.904 -0.665 23.999 1066 H GLY 144 H GLY 144 -2.024 -1.317 23.584 1067 HA2 GLY 144 1HA GLY 144 -1.399 -1.401 26.369 1068 HA3 GLY 144 2HA GLY 144 -2.918 -0.872 25.660 1069 HA PRO 145 HA PRO 145 -3.048 -5.289 27.570 1070 HB2 PRO 145 1HB PRO 145 -3.760 -4.722 30.127 1071 HB3 PRO 145 2HB PRO 145 -2.078 -4.910 29.618 1072 HG2 PRO 145 1HG PRO 145 -3.658 -2.404 30.049 1073 HG3 PRO 145 2HG PRO 145 -1.990 -2.771 30.526 1074 HD2 PRO 145 1HD PRO 145 -2.588 -1.289 28.340 1075 HD3 PRO 145 2HD PRO 145 -1.160 -2.341 28.420 1076 H SER 146 H SER 146 -4.888 -5.441 26.246 1077 HA SER 146 HA SER 146 -7.105 -5.258 25.646 1078 HB2 SER 146 1HB SER 146 -6.931 -7.109 27.372 1079 HB3 SER 146 2HB SER 146 -7.530 -5.949 28.557 1080 HG SER 146 HG SER 146 -9.345 -5.669 27.034 1081 H SER 147 H SER 147 -6.149 -2.727 26.149 1082 HA SER 147 HA SER 147 -8.426 -1.453 27.521 1083 HB2 SER 147 1HB SER 147 -6.026 -1.235 28.532 1084 HB3 SER 147 2HB SER 147 -5.773 -0.079 27.225 1085 HG SER 147 HG SER 147 -6.892 0.397 29.525 1086 H GLY 148 H GLY 148 -9.704 -1.113 25.740 1087 HA2 GLY 148 1HA GLY 148 -8.537 0.578 23.614 1088 HA3 GLY 148 2HA GLY 148 -9.814 -0.595 23.331 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -52.643 -15.036 -15.688 2 HA2 GLY 1 1HA GLY 1 -51.542 -15.543 -18.111 3 HA3 GLY 1 2HA GLY 1 -52.852 -14.441 -18.506 4 H SER 2 H SER 2 -50.159 -13.854 -18.987 5 HA SER 2 HA SER 2 -49.953 -11.330 -17.660 6 HB2 SER 2 1HB SER 2 -47.854 -11.661 -16.517 7 HB3 SER 2 2HB SER 2 -48.984 -12.891 -15.950 8 HG SER 2 HG SER 2 -47.747 -14.383 -16.765 9 H SER 3 H SER 3 -48.132 -10.045 -18.469 10 HA SER 3 HA SER 3 -46.790 -11.073 -20.841 11 HB2 SER 3 1HB SER 3 -48.830 -8.864 -20.871 12 HB3 SER 3 2HB SER 3 -47.518 -8.889 -22.049 13 HG SER 3 HG SER 3 -48.337 -11.241 -22.256 14 H GLY 4 H GLY 4 -45.406 -9.169 -21.808 15 HA2 GLY 4 1HA GLY 4 -44.344 -7.017 -21.060 16 HA3 GLY 4 2HA GLY 4 -44.133 -7.817 -19.510 17 H SER 5 H SER 5 -41.934 -7.796 -19.407 18 HA SER 5 HA SER 5 -39.802 -8.511 -19.756 19 HB2 SER 5 1HB SER 5 -41.063 -10.735 -19.997 20 HB3 SER 5 2HB SER 5 -40.873 -10.518 -21.736 21 HG SER 5 HG SER 5 -38.522 -10.162 -21.032 22 H SER 6 H SER 6 -40.610 -6.311 -21.193 23 HA SER 6 HA SER 6 -39.930 -6.580 -23.970 24 HB2 SER 6 1HB SER 6 -40.062 -4.073 -23.958 25 HB3 SER 6 2HB SER 6 -41.515 -4.870 -23.353 26 HG SER 6 HG SER 6 -41.195 -3.986 -21.474 27 H GLY 7 H GLY 7 -38.229 -5.030 -24.899 28 HA2 GLY 7 1HA GLY 7 -35.923 -4.565 -23.210 29 HA3 GLY 7 2HA GLY 7 -35.709 -5.841 -24.399 30 H MET 8 H MET 8 -34.173 -3.476 -24.310 31 HA MET 8 HA MET 8 -34.782 -2.434 -26.968 32 HB2 MET 8 1HB MET 8 -34.727 -0.842 -24.455 33 HB3 MET 8 2HB MET 8 -33.996 -0.124 -25.884 34 HG2 MET 8 1HG MET 8 -36.827 -1.117 -25.653 35 HG3 MET 8 2HG MET 8 -36.308 0.566 -25.632 36 HE1 MET 8 1HE MET 8 -37.675 1.299 -28.685 37 HE2 MET 8 2HE MET 8 -37.012 1.763 -27.118 38 HE3 MET 8 3HE MET 8 -36.017 1.890 -28.569 39 H THR 9 H THR 9 -33.021 -2.853 -28.116 40 HA THR 9 HA THR 9 -30.390 -2.387 -26.872 41 HB THR 9 HB THR 9 -29.536 -4.185 -28.458 42 HG1 THR 9 1HG THR 9 -32.267 -4.985 -28.485 43 HG21 THR 9 1HG2 THR 9 -29.508 -4.889 -26.269 44 HG22 THR 9 2HG2 THR 9 -30.646 -6.046 -26.959 45 HG23 THR 9 3HG2 THR 9 -31.242 -4.653 -26.057 46 H VAL 10 H VAL 10 -28.695 -1.722 -28.307 47 HA VAL 10 HA VAL 10 -29.625 -0.617 -30.872 48 HB VAL 10 HB VAL 10 -27.880 0.810 -28.860 49 HG11 VAL 10 1HG1 VAL 10 -26.978 1.603 -30.793 50 HG12 VAL 10 2HG1 VAL 10 -28.433 1.277 -31.737 51 HG13 VAL 10 3HG1 VAL 10 -28.365 2.685 -30.677 52 HG21 VAL 10 1HG2 VAL 10 -29.660 2.340 -28.571 53 HG22 VAL 10 2HG2 VAL 10 -30.559 1.667 -29.931 54 HG23 VAL 10 3HG2 VAL 10 -30.375 0.733 -28.446 55 H SER 11 H SER 11 -28.536 -1.671 -32.395 56 HA SER 11 HA SER 11 -25.645 -2.088 -32.005 57 HB2 SER 11 1HB SER 11 -25.847 -4.152 -33.357 58 HB3 SER 11 2HB SER 11 -26.800 -4.237 -31.876 59 HG SER 11 HG SER 11 -28.028 -3.286 -34.202 60 H GLY 12 H GLY 12 -24.454 -2.352 -34.105 61 HA2 GLY 12 1HA GLY 12 -25.565 -0.461 -36.082 62 HA3 GLY 12 2HA GLY 12 -23.851 -0.649 -35.743 63 HA PRO 13 HA PRO 13 -25.552 -3.604 -39.154 64 HB2 PRO 13 1HB PRO 13 -25.346 -2.049 -41.370 65 HB3 PRO 13 2HB PRO 13 -26.829 -2.170 -40.416 66 HG2 PRO 13 1HG PRO 13 -24.718 -0.047 -40.377 67 HG3 PRO 13 2HG PRO 13 -26.482 0.128 -40.339 68 HD2 PRO 13 1HD PRO 13 -24.952 0.315 -38.113 69 HD3 PRO 13 2HD PRO 13 -26.606 -0.330 -38.083 70 H GLY 14 H GLY 14 -24.288 -4.022 -41.346 71 HA2 GLY 14 1HA GLY 14 -21.447 -3.942 -40.613 72 HA3 GLY 14 2HA GLY 14 -22.184 -5.052 -41.760 73 H THR 15 H THR 15 -21.260 -1.674 -41.270 74 HA THR 15 HA THR 15 -21.143 -1.351 -44.196 75 HB THR 15 HB THR 15 -22.650 0.250 -43.151 76 HG1 THR 15 1HG THR 15 -20.183 1.416 -43.985 77 HG21 THR 15 1HG2 THR 15 -22.021 1.756 -41.447 78 HG22 THR 15 2HG2 THR 15 -20.310 1.366 -41.623 79 HG23 THR 15 3HG2 THR 15 -21.416 0.186 -40.921 80 HA PRO 16 HA PRO 16 -16.749 -1.135 -43.954 81 HB2 PRO 16 1HB PRO 16 -16.270 0.208 -46.264 82 HB3 PRO 16 2HB PRO 16 -16.760 -1.489 -46.224 83 HG2 PRO 16 1HG PRO 16 -18.421 0.950 -46.729 84 HG3 PRO 16 2HG PRO 16 -18.445 -0.613 -47.566 85 HD2 PRO 16 1HD PRO 16 -20.269 0.058 -45.681 86 HD3 PRO 16 2HD PRO 16 -19.722 -1.613 -45.929 87 H GLU 17 H GLU 17 -15.954 0.167 -42.399 88 HA GLU 17 HA GLU 17 -15.133 2.793 -42.990 89 HB2 GLU 17 1HB GLU 17 -16.546 4.135 -41.639 90 HB3 GLU 17 2HB GLU 17 -17.611 3.153 -42.634 91 HG2 GLU 17 1HG GLU 17 -18.148 1.732 -40.823 92 HG3 GLU 17 2HG GLU 17 -16.862 2.406 -39.824 93 HA PRO 18 HA PRO 18 -12.415 1.850 -39.672 94 HB2 PRO 18 1HB PRO 18 -11.618 4.346 -38.960 95 HB3 PRO 18 2HB PRO 18 -11.087 3.556 -40.450 96 HG2 PRO 18 1HG PRO 18 -13.244 5.593 -40.052 97 HG3 PRO 18 2HG PRO 18 -12.018 5.496 -41.330 98 HD2 PRO 18 1HD PRO 18 -14.575 4.684 -41.698 99 HD3 PRO 18 2HD PRO 18 -13.201 3.913 -42.517 100 H ARG 19 H ARG 19 -12.306 1.749 -37.438 101 HA ARG 19 HA ARG 19 -14.642 2.833 -36.025 102 HB2 ARG 19 1HB ARG 19 -14.236 1.091 -34.354 103 HB3 ARG 19 2HB ARG 19 -14.410 0.397 -35.961 104 HG2 ARG 19 1HG ARG 19 -12.605 -0.774 -35.240 105 HG3 ARG 19 2HG ARG 19 -11.777 0.614 -35.950 106 HD2 ARG 19 1HD ARG 19 -12.051 1.616 -33.545 107 HD3 ARG 19 2HD ARG 19 -12.219 -0.076 -33.080 108 HE ARG 19 HE ARG 19 -9.942 0.244 -34.711 109 HH11 ARG 19 2HH1 ARG 19 -11.109 0.961 -31.511 110 HH12 ARG 19 1HH1 ARG 19 -9.534 0.938 -30.790 111 HH21 ARG 19 2HH2 ARG 19 -7.863 0.211 -33.774 112 HH22 ARG 19 1HH2 ARG 19 -7.688 0.512 -32.078 113 HA PRO 20 HA PRO 20 -12.113 5.626 -33.750 114 HB2 PRO 20 1HB PRO 20 -13.685 5.950 -31.561 115 HB3 PRO 20 2HB PRO 20 -14.071 6.659 -33.133 116 HG2 PRO 20 1HG PRO 20 -15.140 4.166 -31.866 117 HG3 PRO 20 2HG PRO 20 -16.009 5.430 -32.757 118 HD2 PRO 20 1HD PRO 20 -15.314 3.069 -33.885 119 HD3 PRO 20 2HD PRO 20 -15.394 4.582 -34.810 120 H ALA 21 H ALA 21 -10.800 5.780 -31.877 121 HA ALA 21 HA ALA 21 -10.628 3.332 -30.252 122 HB1 ALA 21 1HB ALA 21 -8.426 4.754 -31.707 123 HB2 ALA 21 2HB ALA 21 -8.095 3.761 -30.287 124 HB3 ALA 21 3HB ALA 21 -8.836 3.039 -31.714 125 H THR 22 H THR 22 -8.960 3.801 -28.372 126 HA THR 22 HA THR 22 -9.759 6.374 -27.176 127 HB THR 22 HB THR 22 -10.645 4.311 -26.052 128 HG1 THR 22 1HG THR 22 -8.822 5.826 -24.468 129 HG21 THR 22 1HG2 THR 22 -7.721 3.886 -25.425 130 HG22 THR 22 2HG2 THR 22 -8.761 2.822 -26.372 131 HG23 THR 22 3HG2 THR 22 -9.054 3.034 -24.646 132 HA PRO 23 HA PRO 23 -5.500 7.506 -27.059 133 HB2 PRO 23 1HB PRO 23 -5.642 9.417 -25.136 134 HB3 PRO 23 2HB PRO 23 -6.242 9.662 -26.780 135 HG2 PRO 23 1HG PRO 23 -7.758 8.959 -24.297 136 HG3 PRO 23 2HG PRO 23 -8.175 10.119 -25.572 137 HD2 PRO 23 1HD PRO 23 -9.263 7.643 -25.442 138 HD3 PRO 23 2HD PRO 23 -8.967 8.476 -26.982 139 H GLY 24 H GLY 24 -3.703 6.864 -25.988 140 HA2 GLY 24 1HA GLY 24 -3.994 5.147 -23.713 141 HA3 GLY 24 2HA GLY 24 -2.484 5.597 -24.493 142 H ALA 25 H ALA 25 -1.787 7.916 -24.070 143 HA ALA 25 HA ALA 25 -0.845 9.231 -22.433 144 HB1 ALA 25 1HB ALA 25 -3.189 10.160 -23.102 145 HB2 ALA 25 2HB ALA 25 -3.622 9.710 -21.452 146 HB3 ALA 25 3HB ALA 25 -2.316 10.860 -21.738 147 H SER 26 H SER 26 -0.569 6.698 -21.565 148 HA SER 26 HA SER 26 -1.423 6.764 -18.746 149 HB2 SER 26 1HB SER 26 -1.030 4.535 -20.689 150 HB3 SER 26 2HB SER 26 -0.668 4.222 -18.992 151 HG SER 26 HG SER 26 -2.821 5.069 -18.556 152 H SER 27 H SER 27 0.325 8.124 -18.145 153 HA SER 27 HA SER 27 2.977 6.851 -18.272 154 HB2 SER 27 1HB SER 27 2.454 9.275 -19.199 155 HB3 SER 27 2HB SER 27 2.641 9.721 -17.503 156 HG SER 27 HG SER 27 4.714 9.443 -17.683 157 H VAL 28 H VAL 28 4.054 6.366 -16.437 158 HA VAL 28 HA VAL 28 2.840 5.829 -14.072 159 HB VAL 28 HB VAL 28 5.065 5.039 -14.452 160 HG11 VAL 28 1HG1 VAL 28 5.582 7.565 -15.413 161 HG12 VAL 28 2HG1 VAL 28 6.523 7.502 -13.922 162 HG13 VAL 28 3HG1 VAL 28 6.771 6.285 -15.175 163 HG21 VAL 28 1HG2 VAL 28 4.606 5.120 -12.150 164 HG22 VAL 28 2HG2 VAL 28 6.211 5.833 -12.316 165 HG23 VAL 28 3HG2 VAL 28 4.804 6.871 -12.085 166 H GLU 29 H GLU 29 4.102 8.931 -15.116 167 HA GLU 29 HA GLU 29 3.712 10.173 -12.541 168 HB2 GLU 29 1HB GLU 29 5.513 10.988 -13.918 169 HB3 GLU 29 2HB GLU 29 4.413 11.299 -15.254 170 HG2 GLU 29 1HG GLU 29 3.340 13.066 -14.022 171 HG3 GLU 29 2HG GLU 29 4.310 12.704 -12.596 172 H GLN 30 H GLN 30 2.088 10.160 -15.683 173 HA GLN 30 HA GLN 30 0.024 11.965 -14.770 174 HB2 GLN 30 1HB GLN 30 0.420 12.281 -17.026 175 HB3 GLN 30 2HB GLN 30 0.653 10.565 -17.334 176 HG2 GLN 30 1HG GLN 30 -1.612 10.143 -17.461 177 HG3 GLN 30 2HG GLN 30 -2.037 11.587 -16.544 178 HE21 GLN 30 1HE2 GLN 30 -3.566 11.673 -18.435 179 HE22 GLN 30 2HE2 GLN 30 -3.037 12.551 -19.825 180 H LEU 31 H LEU 31 -0.102 8.672 -16.141 181 HA LEU 31 HA LEU 31 -2.655 7.982 -15.545 182 HB2 LEU 31 1HB LEU 31 -2.049 5.771 -15.785 183 HB3 LEU 31 2HB LEU 31 -0.749 6.615 -16.623 184 HG LEU 31 HG LEU 31 0.467 6.402 -14.309 185 HD11 LEU 31 1HD1 LEU 31 -1.921 5.028 -13.773 186 HD12 LEU 31 2HD1 LEU 31 -0.480 5.129 -12.762 187 HD13 LEU 31 3HD1 LEU 31 -0.661 3.801 -13.909 188 HD21 LEU 31 1HD2 LEU 31 0.147 3.949 -16.023 189 HD22 LEU 31 2HD2 LEU 31 1.564 4.456 -15.102 190 HD23 LEU 31 3HD2 LEU 31 1.065 5.368 -16.527 191 H ARG 32 H ARG 32 -0.033 8.378 -13.296 192 HA ARG 32 HA ARG 32 -0.673 6.984 -11.089 193 HB2 ARG 32 1HB ARG 32 1.023 8.972 -11.487 194 HB3 ARG 32 2HB ARG 32 -0.232 9.910 -10.689 195 HG2 ARG 32 1HG ARG 32 0.006 8.764 -8.686 196 HG3 ARG 32 2HG ARG 32 0.802 7.390 -9.456 197 HD2 ARG 32 1HD ARG 32 2.615 8.400 -8.506 198 HD3 ARG 32 2HD ARG 32 2.600 9.223 -10.065 199 HE ARG 32 HE ARG 32 1.035 10.695 -8.272 200 HH11 ARG 32 2HH1 ARG 32 4.363 9.809 -8.783 201 HH12 ARG 32 1HH1 ARG 32 4.995 11.239 -8.036 202 HH21 ARG 32 2HH2 ARG 32 1.854 12.582 -7.286 203 HH22 ARG 32 1HH2 ARG 32 3.567 12.815 -7.184 204 H LYS 33 H LYS 33 -2.303 9.966 -12.113 205 HA LYS 33 HA LYS 33 -4.049 10.260 -9.973 206 HB2 LYS 33 1HB LYS 33 -4.555 10.900 -12.885 207 HB3 LYS 33 2HB LYS 33 -5.481 11.529 -11.529 208 HG2 LYS 33 1HG LYS 33 -2.525 11.972 -11.756 209 HG3 LYS 33 2HG LYS 33 -3.693 13.032 -12.548 210 HD2 LYS 33 1HD LYS 33 -4.557 13.794 -10.531 211 HD3 LYS 33 2HD LYS 33 -3.956 12.398 -9.633 212 HE2 LYS 33 1HE LYS 33 -2.457 13.993 -8.961 213 HE3 LYS 33 2HE LYS 33 -1.617 13.349 -10.371 214 HZ1 LYS 33 1HZ LYS 33 -1.831 15.874 -10.126 215 HZ2 LYS 33 2HZ LYS 33 -3.433 15.660 -10.623 216 HZ3 LYS 33 3HZ LYS 33 -2.163 15.193 -11.638 217 H GLU 34 H GLU 34 -4.374 8.299 -12.898 218 HA GLU 34 HA GLU 34 -6.985 7.496 -12.757 219 HB2 GLU 34 1HB GLU 34 -5.437 6.823 -14.544 220 HB3 GLU 34 2HB GLU 34 -4.609 5.750 -13.425 221 HG2 GLU 34 1HG GLU 34 -5.973 4.287 -14.538 222 HG3 GLU 34 2HG GLU 34 -6.960 4.680 -13.131 223 H GLY 35 H GLY 35 -4.266 6.321 -10.839 224 HA2 GLY 35 1HA GLY 35 -5.659 4.186 -9.590 225 HA3 GLY 35 2HA GLY 35 -4.173 4.926 -9.014 226 H ASN 36 H ASN 36 -4.601 7.269 -8.140 227 HA ASN 36 HA ASN 36 -6.061 7.041 -5.792 228 HB2 ASN 36 1HB ASN 36 -5.266 9.549 -7.288 229 HB3 ASN 36 2HB ASN 36 -5.831 9.512 -5.620 230 HD21 ASN 36 1HD2 ASN 36 -3.164 9.531 -7.563 231 HD22 ASN 36 2HD2 ASN 36 -1.993 8.939 -6.439 232 H GLU 37 H GLU 37 -6.958 8.812 -8.753 233 HA GLU 37 HA GLU 37 -9.401 9.798 -8.043 234 HB2 GLU 37 1HB GLU 37 -8.254 8.827 -10.610 235 HB3 GLU 37 2HB GLU 37 -9.987 9.121 -10.560 236 HG2 GLU 37 1HG GLU 37 -8.498 11.021 -11.345 237 HG3 GLU 37 2HG GLU 37 -9.710 11.395 -10.121 238 H LEU 38 H LEU 38 -8.645 6.494 -9.031 239 HA LEU 38 HA LEU 38 -11.363 5.610 -9.007 240 HB2 LEU 38 1HB LEU 38 -8.736 4.144 -9.014 241 HB3 LEU 38 2HB LEU 38 -10.296 3.325 -9.041 242 HG LEU 38 HG LEU 38 -9.498 5.310 -11.153 243 HD11 LEU 38 1HD1 LEU 38 -7.800 3.548 -11.075 244 HD12 LEU 38 2HD1 LEU 38 -8.786 3.442 -12.533 245 HD13 LEU 38 3HD1 LEU 38 -9.066 2.326 -11.196 246 HD21 LEU 38 1HD2 LEU 38 -11.119 3.452 -12.287 247 HD22 LEU 38 2HD2 LEU 38 -11.672 4.982 -11.606 248 HD23 LEU 38 3HD2 LEU 38 -11.756 3.506 -10.643 249 H PHE 39 H PHE 39 -8.744 5.702 -6.682 250 HA PHE 39 HA PHE 39 -9.923 3.980 -4.763 251 HB2 PHE 39 1HB PHE 39 -7.483 4.712 -4.901 252 HB3 PHE 39 2HB PHE 39 -7.998 6.219 -4.151 253 HD1 PHE 39 1HD PHE 39 -8.133 2.534 -3.645 254 HD2 PHE 39 2HD PHE 39 -8.023 6.392 -1.850 255 HE1 PHE 39 1HE PHE 39 -7.929 1.492 -1.425 256 HE2 PHE 39 2HE PHE 39 -7.817 5.356 0.372 257 HZ PHE 39 HZ PHE 39 -7.769 2.903 0.587 258 H LYS 40 H LYS 40 -9.766 7.527 -4.998 259 HA LYS 40 HA LYS 40 -11.291 8.083 -2.712 260 HB2 LYS 40 1HB LYS 40 -11.682 10.307 -3.793 261 HB3 LYS 40 2HB LYS 40 -9.991 9.828 -3.718 262 HG2 LYS 40 1HG LYS 40 -10.323 8.965 -6.103 263 HG3 LYS 40 2HG LYS 40 -11.810 9.916 -6.096 264 HD2 LYS 40 1HD LYS 40 -10.184 11.334 -7.029 265 HD3 LYS 40 2HD LYS 40 -10.360 11.878 -5.359 266 HE2 LYS 40 1HE LYS 40 -8.403 10.142 -4.970 267 HE3 LYS 40 2HE LYS 40 -8.100 10.460 -6.677 268 HZ1 LYS 40 1HZ LYS 40 -8.477 12.740 -4.873 269 HZ2 LYS 40 2HZ LYS 40 -7.534 12.619 -6.272 270 HZ3 LYS 40 3HZ LYS 40 -7.000 11.916 -4.829 271 H CYS 41 H CYS 41 -12.228 6.604 -5.560 272 HA CYS 41 HA CYS 41 -15.016 7.491 -5.299 273 HB2 CYS 41 1HB CYS 41 -13.869 7.612 -7.547 274 HB3 CYS 41 2HB CYS 41 -13.818 5.853 -7.537 275 HG CYS 41 HG CYS 41 -16.849 6.224 -6.974 276 H GLY 42 H GLY 42 -12.901 4.814 -4.817 277 HA2 GLY 42 1HA GLY 42 -13.706 3.109 -3.249 278 HA3 GLY 42 2HA GLY 42 -15.236 3.147 -4.112 279 H ASP 43 H ASP 43 -13.864 3.279 -6.731 280 HA ASP 43 HA ASP 43 -13.845 0.557 -7.350 281 HB2 ASP 43 1HB ASP 43 -14.033 2.654 -8.891 282 HB3 ASP 43 2HB ASP 43 -12.277 2.536 -8.971 283 H TYR 44 H TYR 44 -12.511 -0.623 -6.005 284 HA TYR 44 HA TYR 44 -9.733 0.053 -5.681 285 HB2 TYR 44 1HB TYR 44 -11.074 -2.550 -4.946 286 HB3 TYR 44 2HB TYR 44 -9.592 -1.878 -4.275 287 HD1 TYR 44 1HD TYR 44 -10.119 0.749 -3.459 288 HD2 TYR 44 2HD TYR 44 -12.798 -2.556 -3.425 289 HE1 TYR 44 1HE TYR 44 -11.415 1.825 -1.666 290 HE2 TYR 44 2HE TYR 44 -14.102 -1.489 -1.633 291 HH TYR 44 HH TYR 44 -13.376 1.774 -0.526 292 H GLY 45 H GLY 45 -11.551 -2.508 -7.349 293 HA2 GLY 45 1HA GLY 45 -9.518 -4.047 -8.348 294 HA3 GLY 45 2HA GLY 45 -11.007 -3.728 -9.225 295 H GLY 46 H GLY 46 -10.547 -0.883 -9.499 296 HA2 GLY 46 1HA GLY 46 -8.749 -1.017 -11.782 297 HA3 GLY 46 2HA GLY 46 -9.817 0.317 -11.370 298 H ALA 47 H ALA 47 -9.106 1.104 -8.937 299 HA ALA 47 HA ALA 47 -7.024 2.783 -9.169 300 HB1 ALA 47 1HB ALA 47 -7.393 3.242 -7.016 301 HB2 ALA 47 2HB ALA 47 -8.626 1.982 -7.083 302 HB3 ALA 47 3HB ALA 47 -7.003 1.598 -6.510 303 H LEU 48 H LEU 48 -6.737 -0.552 -7.958 304 HA LEU 48 HA LEU 48 -3.959 -0.504 -7.541 305 HB2 LEU 48 1HB LEU 48 -5.607 -2.205 -6.689 306 HB3 LEU 48 2HB LEU 48 -5.594 -2.914 -8.303 307 HG LEU 48 HG LEU 48 -4.110 -3.900 -6.381 308 HD11 LEU 48 1HD1 LEU 48 -3.333 -5.125 -8.059 309 HD12 LEU 48 2HD1 LEU 48 -2.384 -3.774 -8.676 310 HD13 LEU 48 3HD1 LEU 48 -4.064 -3.971 -9.175 311 HD21 LEU 48 1HD2 LEU 48 -3.035 -1.698 -5.917 312 HD22 LEU 48 2HD2 LEU 48 -2.266 -1.796 -7.502 313 HD23 LEU 48 3HD2 LEU 48 -1.897 -3.000 -6.266 314 H ALA 49 H ALA 49 -5.861 -1.690 -10.305 315 HA ALA 49 HA ALA 49 -3.885 -2.650 -11.931 316 HB1 ALA 49 1HB ALA 49 -6.067 -2.910 -12.709 317 HB2 ALA 49 2HB ALA 49 -6.422 -1.188 -12.572 318 HB3 ALA 49 3HB ALA 49 -5.351 -1.768 -13.846 319 H ALA 50 H ALA 50 -4.814 0.730 -11.460 320 HA ALA 50 HA ALA 50 -3.173 1.844 -13.455 321 HB1 ALA 50 1HB ALA 50 -3.467 3.577 -11.160 322 HB2 ALA 50 2HB ALA 50 -4.113 3.748 -12.792 323 HB3 ALA 50 3HB ALA 50 -4.993 2.803 -11.590 324 H TYR 51 H TYR 51 -2.609 1.417 -9.965 325 HA TYR 51 HA TYR 51 -0.066 2.530 -9.835 326 HB2 TYR 51 1HB TYR 51 -1.253 0.259 -8.229 327 HB3 TYR 51 2HB TYR 51 0.247 1.084 -7.818 328 HD1 TYR 51 1HD TYR 51 -0.456 3.894 -8.376 329 HD2 TYR 51 2HD TYR 51 -2.722 0.815 -6.507 330 HE1 TYR 51 1HE TYR 51 -1.727 5.593 -7.133 331 HE2 TYR 51 2HE TYR 51 -4.000 2.506 -5.259 332 HH TYR 51 HH TYR 51 -4.138 4.676 -4.711 333 H THR 52 H THR 52 -1.075 -0.716 -10.752 334 HA THR 52 HA THR 52 1.359 -2.033 -10.751 335 HB THR 52 HB THR 52 -0.930 -2.363 -12.699 336 HG1 THR 52 1HG THR 52 -1.091 -2.734 -10.251 337 HG21 THR 52 1HG2 THR 52 0.974 -3.401 -13.685 338 HG22 THR 52 2HG2 THR 52 0.022 -4.687 -12.942 339 HG23 THR 52 3HG2 THR 52 1.476 -4.091 -12.142 340 H GLN 53 H GLN 53 -0.149 -0.317 -13.493 341 HA GLN 53 HA GLN 53 1.943 -0.631 -15.304 342 HB2 GLN 53 1HB GLN 53 0.305 1.880 -15.253 343 HB3 GLN 53 2HB GLN 53 0.871 0.954 -16.637 344 HG2 GLN 53 1HG GLN 53 -0.705 -0.891 -15.723 345 HG3 GLN 53 2HG GLN 53 -1.455 0.438 -14.842 346 HE21 GLN 53 1HE2 GLN 53 -2.438 2.123 -16.014 347 HE22 GLN 53 2HE2 GLN 53 -2.947 1.899 -17.650 348 H ALA 54 H ALA 54 1.233 2.253 -13.323 349 HA ALA 54 HA ALA 54 3.318 3.863 -13.894 350 HB1 ALA 54 1HB ALA 54 3.032 3.725 -11.017 351 HB2 ALA 54 2HB ALA 54 2.604 5.023 -12.133 352 HB3 ALA 54 3HB ALA 54 1.468 3.707 -11.833 353 H LEU 55 H LEU 55 3.447 1.066 -11.720 354 HA LEU 55 HA LEU 55 6.196 1.437 -11.041 355 HB2 LEU 55 1HB LEU 55 4.205 -0.764 -10.663 356 HB3 LEU 55 2HB LEU 55 5.910 -1.034 -10.305 357 HG LEU 55 HG LEU 55 4.305 1.175 -9.036 358 HD11 LEU 55 1HD1 LEU 55 3.486 -1.261 -8.652 359 HD12 LEU 55 2HD1 LEU 55 3.705 -0.185 -7.273 360 HD13 LEU 55 3HD1 LEU 55 4.931 -1.395 -7.650 361 HD21 LEU 55 1HD2 LEU 55 6.963 0.912 -9.145 362 HD22 LEU 55 2HD2 LEU 55 6.636 -0.112 -7.747 363 HD23 LEU 55 3HD2 LEU 55 6.122 1.576 -7.744 364 H GLY 56 H GLY 56 4.448 -0.545 -13.386 365 HA2 GLY 56 1HA GLY 56 6.466 -2.213 -14.268 366 HA3 GLY 56 2HA GLY 56 5.177 -1.599 -15.293 367 H LEU 57 H LEU 57 5.785 1.106 -15.326 368 HA LEU 57 HA LEU 57 7.813 1.182 -17.299 369 HB2 LEU 57 1HB LEU 57 6.603 3.488 -15.784 370 HB3 LEU 57 2HB LEU 57 7.462 3.576 -17.320 371 HG LEU 57 HG LEU 57 4.841 2.138 -16.923 372 HD11 LEU 57 1HD1 LEU 57 4.139 4.195 -18.418 373 HD12 LEU 57 2HD1 LEU 57 5.481 4.965 -17.573 374 HD13 LEU 57 3HD1 LEU 57 4.134 4.289 -16.657 375 HD21 LEU 57 1HD2 LEU 57 5.825 3.085 -19.554 376 HD22 LEU 57 2HD2 LEU 57 4.863 1.664 -19.146 377 HD23 LEU 57 3HD2 LEU 57 6.603 1.665 -18.855 378 H ASP 58 H ASP 58 9.748 2.545 -17.236 379 HA ASP 58 HA ASP 58 11.254 2.047 -14.819 380 HB2 ASP 58 1HB ASP 58 11.931 3.034 -17.571 381 HB3 ASP 58 2HB ASP 58 13.086 3.226 -16.255 382 H ALA 59 H ALA 59 10.117 3.478 -13.396 383 HA ALA 59 HA ALA 59 10.534 6.341 -13.892 384 HB1 ALA 59 1HB ALA 59 8.334 6.185 -13.323 385 HB2 ALA 59 2HB ALA 59 8.586 4.784 -12.281 386 HB3 ALA 59 3HB ALA 59 9.030 6.394 -11.715 387 H THR 60 H THR 60 10.996 7.637 -11.840 388 HA THR 60 HA THR 60 13.521 7.001 -10.874 389 HB THR 60 HB THR 60 12.797 8.656 -8.947 390 HG1 THR 60 1HG THR 60 10.504 8.352 -9.800 391 HG21 THR 60 1HG2 THR 60 13.079 9.407 -11.857 392 HG22 THR 60 2HG2 THR 60 14.367 9.273 -10.660 393 HG23 THR 60 3HG2 THR 60 13.166 10.557 -10.524 394 HA PRO 61 HA PRO 61 13.004 4.187 -7.546 395 HB2 PRO 61 1HB PRO 61 14.837 5.084 -5.755 396 HB3 PRO 61 2HB PRO 61 15.282 4.268 -7.258 397 HG2 PRO 61 1HG PRO 61 15.231 7.195 -6.635 398 HG3 PRO 61 2HG PRO 61 16.454 6.260 -7.515 399 HD2 PRO 61 1HD PRO 61 14.586 7.764 -8.773 400 HD3 PRO 61 2HD PRO 61 15.231 6.264 -9.469 401 H GLN 62 H GLN 62 12.418 7.534 -7.081 402 HA GLN 62 HA GLN 62 11.459 7.232 -4.359 403 HB2 GLN 62 1HB GLN 62 12.635 9.309 -5.455 404 HB3 GLN 62 2HB GLN 62 11.008 9.692 -6.001 405 HG2 GLN 62 1HG GLN 62 10.206 9.864 -3.779 406 HG3 GLN 62 2HG GLN 62 11.688 9.171 -3.122 407 HE21 GLN 62 1HE2 GLN 62 13.700 10.471 -3.995 408 HE22 GLN 62 2HE2 GLN 62 13.588 12.178 -3.755 409 H ASP 63 H ASP 63 10.174 7.580 -7.606 410 HA ASP 63 HA ASP 63 7.470 7.996 -6.849 411 HB2 ASP 63 1HB ASP 63 8.853 7.194 -9.385 412 HB3 ASP 63 2HB ASP 63 7.099 7.083 -9.275 413 H GLN 64 H GLN 64 9.304 5.107 -7.786 414 HA GLN 64 HA GLN 64 7.280 3.238 -7.833 415 HB2 GLN 64 1HB GLN 64 10.177 3.073 -7.078 416 HB3 GLN 64 2HB GLN 64 9.147 1.656 -6.925 417 HG2 GLN 64 1HG GLN 64 8.898 1.415 -9.178 418 HG3 GLN 64 2HG GLN 64 9.125 3.133 -9.499 419 HE21 GLN 64 1HE2 GLN 64 10.970 3.669 -10.405 420 HE22 GLN 64 2HE2 GLN 64 12.442 2.768 -10.335 421 H ALA 65 H ALA 65 9.303 4.072 -5.015 422 HA ALA 65 HA ALA 65 8.102 2.481 -3.118 423 HB1 ALA 65 1HB ALA 65 9.084 5.284 -2.611 424 HB2 ALA 65 2HB ALA 65 8.992 3.954 -1.456 425 HB3 ALA 65 3HB ALA 65 10.138 3.882 -2.794 426 H VAL 66 H VAL 66 7.145 5.751 -4.123 427 HA VAL 66 HA VAL 66 5.044 6.110 -2.314 428 HB VAL 66 HB VAL 66 5.279 7.196 -5.124 429 HG11 VAL 66 1HG1 VAL 66 3.530 8.590 -4.724 430 HG12 VAL 66 2HG1 VAL 66 3.029 7.244 -3.699 431 HG13 VAL 66 3HG1 VAL 66 3.827 8.647 -2.987 432 HG21 VAL 66 1HG2 VAL 66 6.704 7.771 -2.675 433 HG22 VAL 66 2HG2 VAL 66 7.008 8.345 -4.314 434 HG23 VAL 66 3HG2 VAL 66 5.860 9.196 -3.281 435 H LEU 67 H LEU 67 5.145 4.511 -5.450 436 HA LEU 67 HA LEU 67 2.320 4.124 -5.633 437 HB2 LEU 67 1HB LEU 67 4.592 2.745 -7.054 438 HB3 LEU 67 2HB LEU 67 2.888 2.577 -7.469 439 HG LEU 67 HG LEU 67 4.199 5.270 -7.503 440 HD11 LEU 67 1HD1 LEU 67 4.554 4.843 -9.971 441 HD12 LEU 67 2HD1 LEU 67 4.371 3.127 -9.605 442 HD13 LEU 67 3HD1 LEU 67 5.683 4.050 -8.871 443 HD21 LEU 67 1HD2 LEU 67 2.056 4.204 -9.308 444 HD22 LEU 67 2HD2 LEU 67 2.431 5.877 -8.894 445 HD23 LEU 67 3HD2 LEU 67 1.676 4.819 -7.700 446 H HIS 68 H HIS 68 5.005 2.303 -4.323 447 HA HIS 68 HA HIS 68 3.715 -0.188 -4.050 448 HB2 HIS 68 1HB HIS 68 6.059 1.101 -2.681 449 HB3 HIS 68 2HB HIS 68 5.458 -0.465 -2.145 450 HD1 HIS 68 1HD HIS 68 4.885 -1.747 -4.889 451 HD2 HIS 68 2HD HIS 68 8.344 0.360 -3.965 452 HE1 HIS 68 1HE HIS 68 6.625 -2.570 -6.507 453 HE2 HIS 68 2HE HIS 68 8.732 -1.344 -5.873 454 H ARG 69 H ARG 69 4.154 2.474 -1.726 455 HA ARG 69 HA ARG 69 2.764 1.307 0.403 456 HB2 ARG 69 1HB ARG 69 2.503 3.640 1.238 457 HB3 ARG 69 2HB ARG 69 4.151 3.238 0.772 458 HG2 ARG 69 1HG ARG 69 4.142 4.652 -1.018 459 HG3 ARG 69 2HG ARG 69 2.396 4.528 -1.247 460 HD2 ARG 69 1HD ARG 69 3.700 5.938 1.076 461 HD3 ARG 69 2HD ARG 69 3.187 6.747 -0.404 462 HE ARG 69 HE ARG 69 1.072 5.243 0.773 463 HH11 ARG 69 2HH1 ARG 69 2.838 8.235 0.995 464 HH12 ARG 69 1HH1 ARG 69 1.532 9.102 1.732 465 HH21 ARG 69 2HH2 ARG 69 -0.655 6.374 1.744 466 HH22 ARG 69 1HH2 ARG 69 -0.454 8.042 2.159 467 H ASN 70 H ASN 70 1.630 2.667 -2.536 468 HA ASN 70 HA ASN 70 -1.043 3.196 -1.565 469 HB2 ASN 70 1HB ASN 70 0.199 3.287 -4.318 470 HB3 ASN 70 2HB ASN 70 -1.505 3.619 -4.021 471 HD21 ASN 70 1HD2 ASN 70 -1.126 5.715 -4.883 472 HD22 ASN 70 2HD2 ASN 70 -0.407 6.947 -3.908 473 H ARG 71 H ARG 71 0.375 0.976 -3.972 474 HA ARG 71 HA ARG 71 -1.708 -0.521 -4.744 475 HB2 ARG 71 1HB ARG 71 1.063 -1.380 -3.963 476 HB3 ARG 71 2HB ARG 71 -0.109 -2.551 -4.553 477 HG2 ARG 71 1HG ARG 71 -0.371 -1.109 -6.592 478 HG3 ARG 71 2HG ARG 71 1.006 -0.170 -6.010 479 HD2 ARG 71 1HD ARG 71 1.782 -1.802 -7.599 480 HD3 ARG 71 2HD ARG 71 2.356 -2.245 -5.992 481 HE ARG 71 HE ARG 71 -0.043 -3.585 -6.415 482 HH11 ARG 71 2HH1 ARG 71 3.170 -3.508 -7.753 483 HH12 ARG 71 1HH1 ARG 71 3.143 -5.167 -8.252 484 HH21 ARG 71 2HH2 ARG 71 -0.091 -5.770 -7.067 485 HH22 ARG 71 1HH2 ARG 71 1.287 -6.452 -7.862 486 H ALA 72 H ALA 72 0.080 -1.155 -1.724 487 HA ALA 72 HA ALA 72 -1.251 -3.270 -0.695 488 HB1 ALA 72 1HB ALA 72 -0.229 -2.767 1.234 489 HB2 ALA 72 2HB ALA 72 0.506 -1.450 0.318 490 HB3 ALA 72 3HB ALA 72 -0.929 -1.149 1.298 491 H ALA 73 H ALA 73 -2.268 0.100 -0.089 492 HA ALA 73 HA ALA 73 -4.534 -0.183 1.307 493 HB1 ALA 73 1HB ALA 73 -3.580 1.939 0.304 494 HB2 ALA 73 2HB ALA 73 -4.519 1.562 -1.140 495 HB3 ALA 73 3HB ALA 73 -5.338 1.837 0.397 496 H CYS 74 H CYS 74 -4.381 -0.566 -2.231 497 HA CYS 74 HA CYS 74 -7.061 -1.193 -2.658 498 HB2 CYS 74 1HB CYS 74 -4.636 -2.183 -4.174 499 HB3 CYS 74 2HB CYS 74 -6.296 -2.253 -4.756 500 HG CYS 74 HG CYS 74 -4.122 0.214 -4.945 501 H HIS 75 H HIS 75 -4.311 -3.389 -2.123 502 HA HIS 75 HA HIS 75 -5.702 -5.795 -2.265 503 HB2 HIS 75 1HB HIS 75 -3.175 -4.925 -0.925 504 HB3 HIS 75 2HB HIS 75 -3.823 -6.520 -0.557 505 HD1 HIS 75 1HD HIS 75 -4.784 -7.323 -3.378 506 HD2 HIS 75 2HD HIS 75 -1.098 -5.590 -2.559 507 HE1 HIS 75 1HE HIS 75 -3.291 -7.982 -5.292 508 HE2 HIS 75 2HE HIS 75 -1.043 -6.993 -4.731 509 H LEU 76 H LEU 76 -4.925 -3.859 0.623 510 HA LEU 76 HA LEU 76 -6.080 -5.405 2.570 511 HB2 LEU 76 1HB LEU 76 -6.141 -2.399 2.357 512 HB3 LEU 76 2HB LEU 76 -6.456 -3.319 3.826 513 HG LEU 76 HG LEU 76 -3.829 -3.379 2.349 514 HD11 LEU 76 1HD1 LEU 76 -4.624 -1.120 3.355 515 HD12 LEU 76 2HD1 LEU 76 -2.996 -1.704 3.698 516 HD13 LEU 76 3HD1 LEU 76 -4.272 -1.891 4.901 517 HD21 LEU 76 1HD2 LEU 76 -4.800 -5.139 4.165 518 HD22 LEU 76 2HD2 LEU 76 -4.002 -3.974 5.221 519 HD23 LEU 76 3HD2 LEU 76 -3.088 -4.777 3.944 520 H LYS 77 H LYS 77 -7.699 -2.915 0.611 521 HA LYS 77 HA LYS 77 -10.262 -3.283 1.729 522 HB2 LYS 77 1HB LYS 77 -9.547 -2.268 -1.028 523 HB3 LYS 77 2HB LYS 77 -11.084 -2.033 -0.206 524 HG2 LYS 77 1HG LYS 77 -8.459 -1.009 0.847 525 HG3 LYS 77 2HG LYS 77 -9.549 -0.064 -0.170 526 HD2 LYS 77 1HD LYS 77 -10.498 -1.349 2.371 527 HD3 LYS 77 2HD LYS 77 -9.711 0.231 2.377 528 HE2 LYS 77 1HE LYS 77 -11.453 0.802 0.531 529 HE3 LYS 77 2HE LYS 77 -12.328 -0.584 1.178 530 HZ1 LYS 77 1HZ LYS 77 -13.167 0.882 2.614 531 HZ2 LYS 77 2HZ LYS 77 -11.984 2.046 2.287 532 HZ3 LYS 77 3HZ LYS 77 -11.670 0.810 3.399 533 H LEU 78 H LEU 78 -8.607 -4.794 -0.986 534 HA LEU 78 HA LEU 78 -10.956 -6.320 -1.734 535 HB2 LEU 78 1HB LEU 78 -8.120 -6.364 -2.752 536 HB3 LEU 78 2HB LEU 78 -9.433 -7.337 -3.412 537 HG LEU 78 HG LEU 78 -9.662 -4.353 -3.336 538 HD11 LEU 78 1HD1 LEU 78 -8.665 -5.532 -5.833 539 HD12 LEU 78 2HD1 LEU 78 -7.498 -5.480 -4.513 540 HD13 LEU 78 3HD1 LEU 78 -8.273 -3.995 -5.062 541 HD21 LEU 78 1HD2 LEU 78 -11.523 -6.057 -3.934 542 HD22 LEU 78 2HD2 LEU 78 -10.651 -6.215 -5.459 543 HD23 LEU 78 3HD2 LEU 78 -11.282 -4.644 -4.962 544 H GLU 79 H GLU 79 -10.136 -6.770 0.915 545 HA GLU 79 HA GLU 79 -9.372 -8.379 2.380 546 HB2 GLU 79 1HB GLU 79 -11.624 -9.124 1.236 547 HB3 GLU 79 2HB GLU 79 -10.614 -10.383 0.541 548 HG2 GLU 79 1HG GLU 79 -9.872 -10.821 2.967 549 HG3 GLU 79 2HG GLU 79 -11.304 -9.892 3.408 550 H ASP 80 H ASP 80 -7.313 -7.748 0.650 551 HA ASP 80 HA ASP 80 -6.067 -10.379 0.183 552 HB2 ASP 80 1HB ASP 80 -6.602 -8.729 -1.818 553 HB3 ASP 80 2HB ASP 80 -5.111 -7.958 -1.282 554 H TYR 81 H TYR 81 -5.958 -9.196 2.676 555 HA TYR 81 HA TYR 81 -3.837 -7.487 3.200 556 HB2 TYR 81 1HB TYR 81 -4.684 -9.789 4.966 557 HB3 TYR 81 2HB TYR 81 -3.909 -8.290 5.468 558 HD1 TYR 81 1HD TYR 81 -7.048 -9.793 4.264 559 HD2 TYR 81 2HD TYR 81 -5.181 -6.278 5.770 560 HE1 TYR 81 1HE TYR 81 -9.260 -8.782 4.630 561 HE2 TYR 81 2HE TYR 81 -7.388 -5.258 6.141 562 HH TYR 81 HH TYR 81 -9.605 -5.641 6.208 563 H ASP 82 H ASP 82 -3.843 -10.905 2.492 564 HA ASP 82 HA ASP 82 -1.361 -11.689 3.417 565 HB2 ASP 82 1HB ASP 82 -2.606 -12.542 0.796 566 HB3 ASP 82 2HB ASP 82 -1.421 -13.440 1.740 567 H LYS 83 H LYS 83 -2.025 -10.702 0.052 568 HA LYS 83 HA LYS 83 0.723 -10.360 -0.576 569 HB2 LYS 83 1HB LYS 83 -1.731 -9.311 -1.999 570 HB3 LYS 83 2HB LYS 83 -0.104 -9.344 -2.666 571 HG2 LYS 83 1HG LYS 83 -0.111 -11.801 -2.494 572 HG3 LYS 83 2HG LYS 83 -1.775 -11.732 -1.907 573 HD2 LYS 83 1HD LYS 83 -2.555 -10.854 -3.973 574 HD3 LYS 83 2HD LYS 83 -0.911 -10.557 -4.543 575 HE2 LYS 83 1HE LYS 83 -2.017 -13.294 -3.934 576 HE3 LYS 83 2HE LYS 83 -2.021 -12.567 -5.540 577 HZ1 LYS 83 1HZ LYS 83 0.563 -12.332 -4.570 578 HZ2 LYS 83 2HZ LYS 83 0.018 -13.351 -5.805 579 HZ3 LYS 83 3HZ LYS 83 0.077 -13.912 -4.210 580 H ALA 84 H ALA 84 -1.825 -8.187 0.490 581 HA ALA 84 HA ALA 84 -0.814 -5.711 -0.035 582 HB1 ALA 84 1HB ALA 84 -2.887 -6.584 1.413 583 HB2 ALA 84 2HB ALA 84 -1.820 -6.071 2.721 584 HB3 ALA 84 3HB ALA 84 -2.304 -4.921 1.474 585 H GLU 85 H GLU 85 -0.142 -7.504 2.981 586 HA GLU 85 HA GLU 85 1.686 -5.852 4.138 587 HB2 GLU 85 1HB GLU 85 0.790 -8.158 4.907 588 HB3 GLU 85 2HB GLU 85 2.194 -8.812 4.074 589 HG2 GLU 85 1HG GLU 85 2.615 -6.612 6.023 590 HG3 GLU 85 2HG GLU 85 2.250 -8.223 6.638 591 H THR 86 H THR 86 2.371 -8.307 1.667 592 HA THR 86 HA THR 86 5.111 -8.112 1.515 593 HB THR 86 HB THR 86 3.236 -8.427 -0.837 594 HG1 THR 86 1HG THR 86 2.862 -9.994 0.786 595 HG21 THR 86 1HG2 THR 86 5.685 -7.931 -1.304 596 HG22 THR 86 2HG2 THR 86 5.042 -9.416 -2.004 597 HG23 THR 86 3HG2 THR 86 6.040 -9.485 -0.553 598 H GLU 87 H GLU 87 2.767 -6.225 -0.403 599 HA GLU 87 HA GLU 87 4.566 -4.612 -1.755 600 HB2 GLU 87 1HB GLU 87 1.815 -3.862 -0.748 601 HB3 GLU 87 2HB GLU 87 2.713 -3.005 -1.993 602 HG2 GLU 87 1HG GLU 87 1.838 -5.876 -2.192 603 HG3 GLU 87 2HG GLU 87 0.965 -4.508 -2.880 604 H ALA 88 H ALA 88 2.911 -3.904 1.321 605 HA ALA 88 HA ALA 88 3.897 -1.435 1.907 606 HB1 ALA 88 1HB ALA 88 3.507 -1.888 4.201 607 HB2 ALA 88 2HB ALA 88 2.319 -2.824 3.293 608 HB3 ALA 88 3HB ALA 88 3.739 -3.622 3.968 609 H SER 89 H SER 89 5.498 -4.511 2.744 610 HA SER 89 HA SER 89 7.782 -3.488 3.917 611 HB2 SER 89 1HB SER 89 7.311 -5.859 3.987 612 HB3 SER 89 2HB SER 89 7.454 -5.982 2.233 613 HG SER 89 HG SER 89 9.495 -5.463 4.125 614 H LYS 90 H LYS 90 7.148 -4.111 0.488 615 HA LYS 90 HA LYS 90 9.667 -3.539 -0.538 616 HB2 LYS 90 1HB LYS 90 7.017 -2.887 -1.839 617 HB3 LYS 90 2HB LYS 90 8.557 -3.119 -2.657 618 HG2 LYS 90 1HG LYS 90 8.479 -5.475 -1.558 619 HG3 LYS 90 2HG LYS 90 6.752 -5.139 -1.408 620 HD2 LYS 90 1HD LYS 90 8.084 -4.678 -4.035 621 HD3 LYS 90 2HD LYS 90 7.724 -6.335 -3.543 622 HE2 LYS 90 1HE LYS 90 5.377 -5.744 -3.244 623 HE3 LYS 90 2HE LYS 90 5.729 -4.076 -3.693 624 HZ1 LYS 90 1HZ LYS 90 5.297 -6.356 -5.366 625 HZ2 LYS 90 2HZ LYS 90 6.726 -5.543 -5.760 626 HZ3 LYS 90 3HZ LYS 90 5.254 -4.710 -5.756 627 H ALA 91 H ALA 91 7.004 -1.359 0.268 628 HA ALA 91 HA ALA 91 8.227 0.991 -0.753 629 HB1 ALA 91 1HB ALA 91 6.487 2.196 0.369 630 HB2 ALA 91 2HB ALA 91 5.790 0.728 -0.317 631 HB3 ALA 91 3HB ALA 91 6.136 0.816 1.410 632 H ILE 92 H ILE 92 8.203 -0.566 2.413 633 HA ILE 92 HA ILE 92 9.516 1.534 3.799 634 HB ILE 92 HB ILE 92 9.317 -1.408 4.448 635 HG12 ILE 92 1HG1 ILE 92 7.855 0.898 5.730 636 HG13 ILE 92 2HG1 ILE 92 7.207 0.031 4.342 637 HG21 ILE 92 1HG2 ILE 92 11.015 0.551 5.571 638 HG22 ILE 92 2HG2 ILE 92 9.744 0.220 6.746 639 HG23 ILE 92 3HG2 ILE 92 10.735 -1.100 6.125 640 HD11 ILE 92 1HD1 ILE 92 8.053 -1.554 6.699 641 HD12 ILE 92 2HD1 ILE 92 6.565 -0.614 6.810 642 HD13 ILE 92 3HD1 ILE 92 6.745 -1.836 5.551 643 H GLU 93 H GLU 93 10.742 -1.647 2.736 644 HA GLU 93 HA GLU 93 13.413 -1.250 3.336 645 HB2 GLU 93 1HB GLU 93 13.897 -2.986 1.661 646 HB3 GLU 93 2HB GLU 93 12.534 -3.423 2.682 647 HG2 GLU 93 1HG GLU 93 11.117 -2.387 0.760 648 HG3 GLU 93 2HG GLU 93 12.573 -2.655 -0.197 649 H LYS 94 H LYS 94 11.701 -0.511 0.314 650 HA LYS 94 HA LYS 94 13.684 0.288 -1.342 651 HB2 LYS 94 1HB LYS 94 10.920 1.295 -0.879 652 HB3 LYS 94 2HB LYS 94 11.971 2.250 -1.916 653 HG2 LYS 94 1HG LYS 94 11.668 -0.683 -2.391 654 HG3 LYS 94 2HG LYS 94 10.432 0.444 -2.954 655 HD2 LYS 94 1HD LYS 94 12.067 1.650 -4.260 656 HD3 LYS 94 2HD LYS 94 13.369 0.646 -3.616 657 HE2 LYS 94 1HE LYS 94 11.048 -0.409 -5.225 658 HE3 LYS 94 2HE LYS 94 12.616 0.015 -5.911 659 HZ1 LYS 94 1HZ LYS 94 12.200 -2.013 -3.783 660 HZ2 LYS 94 2HZ LYS 94 13.659 -1.656 -4.560 661 HZ3 LYS 94 3HZ LYS 94 12.392 -2.368 -5.426 662 H ASP 95 H ASP 95 12.115 2.478 0.998 663 HA ASP 95 HA ASP 95 14.467 4.232 0.818 664 HB2 ASP 95 1HB ASP 95 12.151 5.159 0.353 665 HB3 ASP 95 2HB ASP 95 11.799 4.906 2.060 666 H GLY 96 H GLY 96 12.085 3.460 3.363 667 HA2 GLY 96 1HA GLY 96 13.066 2.121 5.277 668 HA3 GLY 96 2HA GLY 96 14.342 3.329 5.263 669 H GLY 97 H GLY 97 12.977 5.671 4.986 670 HA2 GLY 97 1HA GLY 97 11.616 5.815 7.576 671 HA3 GLY 97 2HA GLY 97 12.287 7.172 6.683 672 H ASP 98 H ASP 98 10.001 4.622 5.721 673 HA ASP 98 HA ASP 98 8.139 6.748 4.901 674 HB2 ASP 98 1HB ASP 98 8.810 4.071 3.784 675 HB3 ASP 98 2HB ASP 98 7.144 4.621 3.627 676 H VAL 99 H VAL 99 7.086 7.032 6.864 677 HA VAL 99 HA VAL 99 6.017 4.846 8.364 678 HB VAL 99 HB VAL 99 4.977 6.489 9.766 679 HG11 VAL 99 1HG1 VAL 99 7.068 8.198 9.812 680 HG12 VAL 99 2HG1 VAL 99 7.109 6.571 10.494 681 HG13 VAL 99 3HG1 VAL 99 7.759 6.869 8.882 682 HG21 VAL 99 1HG2 VAL 99 3.984 7.930 8.123 683 HG22 VAL 99 2HG2 VAL 99 5.021 8.904 9.164 684 HG23 VAL 99 3HG2 VAL 99 5.570 8.447 7.552 685 H LYS 100 H LYS 100 5.019 6.491 5.571 686 HA LYS 100 HA LYS 100 2.222 6.429 5.835 687 HB2 LYS 100 1HB LYS 100 4.028 6.341 3.422 688 HB3 LYS 100 2HB LYS 100 2.274 6.383 3.288 689 HG2 LYS 100 1HG LYS 100 3.852 8.461 4.779 690 HG3 LYS 100 2HG LYS 100 3.450 8.593 3.065 691 HD2 LYS 100 1HD LYS 100 1.095 8.556 3.563 692 HD3 LYS 100 2HD LYS 100 1.420 8.232 5.268 693 HE2 LYS 100 1HE LYS 100 2.120 10.386 5.681 694 HE3 LYS 100 2HE LYS 100 2.587 10.668 4.004 695 HZ1 LYS 100 1HZ LYS 100 0.468 11.192 3.404 696 HZ2 LYS 100 2HZ LYS 100 0.432 11.732 5.006 697 HZ3 LYS 100 3HZ LYS 100 -0.248 10.237 4.602 698 H ALA 101 H ALA 101 4.371 4.136 4.145 699 HA ALA 101 HA ALA 101 2.347 2.231 3.636 700 HB1 ALA 101 1HB ALA 101 5.210 2.452 3.238 701 HB2 ALA 101 2HB ALA 101 4.722 0.813 3.670 702 HB3 ALA 101 3HB ALA 101 3.996 1.610 2.274 703 H LEU 102 H LEU 102 4.449 2.803 6.361 704 HA LEU 102 HA LEU 102 4.286 0.321 7.635 705 HB2 LEU 102 1HB LEU 102 4.758 3.119 8.551 706 HB3 LEU 102 2HB LEU 102 4.499 1.858 9.754 707 HG LEU 102 HG LEU 102 6.601 1.537 7.643 708 HD11 LEU 102 1HD1 LEU 102 8.049 2.396 9.726 709 HD12 LEU 102 2HD1 LEU 102 6.610 3.393 9.939 710 HD13 LEU 102 3HD1 LEU 102 7.507 3.453 8.422 711 HD21 LEU 102 1HD2 LEU 102 7.651 0.220 9.489 712 HD22 LEU 102 2HD2 LEU 102 6.115 -0.427 8.911 713 HD23 LEU 102 3HD2 LEU 102 6.179 0.469 10.429 714 H TYR 103 H TYR 103 2.412 3.248 8.454 715 HA TYR 103 HA TYR 103 0.642 2.233 10.238 716 HB2 TYR 103 1HB TYR 103 0.653 4.586 9.592 717 HB3 TYR 103 2HB TYR 103 0.010 4.176 8.006 718 HD1 TYR 103 2HD TYR 103 -1.063 2.800 11.283 719 HD2 TYR 103 1HD TYR 103 -2.035 5.336 8.008 720 HE1 TYR 103 2HE TYR 103 -3.350 3.039 12.154 721 HE2 TYR 103 1HE TYR 103 -4.325 5.583 8.871 722 HH TYR 103 HH TYR 103 -5.316 5.265 11.574 723 H ARG 104 H ARG 104 0.609 1.759 6.763 724 HA ARG 104 HA ARG 104 -1.966 0.487 6.724 725 HB2 ARG 104 1HB ARG 104 0.241 0.789 4.698 726 HB3 ARG 104 2HB ARG 104 -1.185 -0.189 4.376 727 HG2 ARG 104 1HG ARG 104 -1.550 2.615 5.302 728 HG3 ARG 104 2HG ARG 104 -1.065 2.318 3.631 729 HD2 ARG 104 1HD ARG 104 -3.018 1.102 3.165 730 HD3 ARG 104 2HD ARG 104 -3.399 0.899 4.875 731 HE ARG 104 HE ARG 104 -3.385 3.643 4.188 732 HH11 ARG 104 2HH1 ARG 104 -5.267 0.737 3.817 733 HH12 ARG 104 1HH1 ARG 104 -6.775 1.576 3.673 734 HH21 ARG 104 2HH2 ARG 104 -5.365 4.759 4.000 735 HH22 ARG 104 1HH2 ARG 104 -6.830 3.864 3.776 736 H ARG 105 H ARG 105 1.384 -0.660 6.321 737 HA ARG 105 HA ARG 105 1.092 -3.304 5.928 738 HB2 ARG 105 1HB ARG 105 3.283 -2.344 6.164 739 HB3 ARG 105 2HB ARG 105 2.986 -1.953 7.852 740 HG2 ARG 105 1HG ARG 105 3.307 -4.104 8.555 741 HG3 ARG 105 2HG ARG 105 2.820 -4.797 7.007 742 HD2 ARG 105 1HD ARG 105 4.892 -4.527 6.078 743 HD3 ARG 105 2HD ARG 105 5.279 -3.131 7.084 744 HE ARG 105 HE ARG 105 5.218 -5.145 8.870 745 HH11 ARG 105 2HH1 ARG 105 6.818 -4.759 5.802 746 HH12 ARG 105 1HH1 ARG 105 8.161 -5.768 6.228 747 HH21 ARG 105 2HH2 ARG 105 6.980 -6.476 9.442 748 HH22 ARG 105 1HH2 ARG 105 8.251 -6.745 8.298 749 H SER 106 H SER 106 1.176 -1.897 9.209 750 HA SER 106 HA SER 106 0.668 -4.058 10.747 751 HB2 SER 106 1HB SER 106 -0.246 -2.614 12.396 752 HB3 SER 106 2HB SER 106 0.881 -1.619 11.474 753 HG SER 106 HG SER 106 -0.771 -0.355 11.204 754 H GLN 107 H GLN 107 -1.816 -2.160 9.054 755 HA GLN 107 HA GLN 107 -4.118 -3.331 9.866 756 HB2 GLN 107 1HB GLN 107 -3.435 -2.712 6.987 757 HB3 GLN 107 2HB GLN 107 -5.055 -2.865 7.654 758 HG2 GLN 107 1HG GLN 107 -3.046 -0.793 8.504 759 HG3 GLN 107 2HG GLN 107 -4.331 -0.528 7.327 760 HE21 GLN 107 1HE2 GLN 107 -3.634 0.432 10.172 761 HE22 GLN 107 2HE2 GLN 107 -5.147 0.327 11.000 762 H ALA 108 H ALA 108 -1.898 -4.639 7.427 763 HA ALA 108 HA ALA 108 -3.457 -6.966 6.908 764 HB1 ALA 108 1HB ALA 108 -0.848 -5.907 6.079 765 HB2 ALA 108 2HB ALA 108 -0.961 -7.667 6.108 766 HB3 ALA 108 3HB ALA 108 -2.095 -6.727 5.138 767 H LEU 109 H LEU 109 -0.327 -6.576 8.583 768 HA LEU 109 HA LEU 109 0.161 -9.042 9.517 769 HB2 LEU 109 1HB LEU 109 0.334 -6.473 11.079 770 HB3 LEU 109 2HB LEU 109 1.056 -7.993 11.603 771 HG LEU 109 HG LEU 109 1.781 -6.595 9.033 772 HD11 LEU 109 1HD1 LEU 109 3.193 -6.518 11.696 773 HD12 LEU 109 2HD1 LEU 109 2.333 -5.175 10.943 774 HD13 LEU 109 3HD1 LEU 109 3.785 -5.828 10.185 775 HD21 LEU 109 1HD2 LEU 109 3.553 -8.119 8.879 776 HD22 LEU 109 2HD2 LEU 109 2.163 -9.101 9.341 777 HD23 LEU 109 3HD2 LEU 109 3.363 -8.646 10.551 778 H GLU 110 H GLU 110 -1.965 -6.743 11.225 779 HA GLU 110 HA GLU 110 -2.795 -8.396 13.278 780 HB2 GLU 110 1HB GLU 110 -4.157 -6.137 11.836 781 HB3 GLU 110 2HB GLU 110 -4.965 -6.995 13.140 782 HG2 GLU 110 1HG GLU 110 -3.270 -6.355 14.701 783 HG3 GLU 110 2HG GLU 110 -2.286 -5.658 13.415 784 H LYS 111 H LYS 111 -4.019 -8.161 9.980 785 HA LYS 111 HA LYS 111 -6.193 -9.975 10.406 786 HB2 LYS 111 1HB LYS 111 -4.990 -8.572 8.075 787 HB3 LYS 111 2HB LYS 111 -5.943 -10.013 7.745 788 HG2 LYS 111 1HG LYS 111 -7.564 -8.423 7.603 789 HG3 LYS 111 2HG LYS 111 -7.681 -8.818 9.319 790 HD2 LYS 111 1HD LYS 111 -6.124 -6.916 9.779 791 HD3 LYS 111 2HD LYS 111 -6.243 -6.478 8.073 792 HE2 LYS 111 1HE LYS 111 -7.871 -5.131 8.952 793 HE3 LYS 111 2HE LYS 111 -8.825 -6.565 8.577 794 HZ1 LYS 111 1HZ LYS 111 -9.238 -6.927 10.723 795 HZ2 LYS 111 2HZ LYS 111 -8.708 -5.343 10.990 796 HZ3 LYS 111 3HZ LYS 111 -7.638 -6.638 11.192 797 H LEU 112 H LEU 112 -2.842 -10.284 9.618 798 HA LEU 112 HA LEU 112 -3.124 -13.010 8.657 799 HB2 LEU 112 1HB LEU 112 -0.697 -11.292 9.141 800 HB3 LEU 112 2HB LEU 112 -0.649 -12.926 8.484 801 HG LEU 112 HG LEU 112 -2.069 -10.623 7.155 802 HD11 LEU 112 1HD1 LEU 112 0.725 -11.124 7.367 803 HD12 LEU 112 2HD1 LEU 112 -0.109 -9.871 6.449 804 HD13 LEU 112 3HD1 LEU 112 0.217 -11.437 5.707 805 HD21 LEU 112 1HD2 LEU 112 -2.852 -12.903 6.596 806 HD22 LEU 112 2HD2 LEU 112 -1.214 -13.311 6.086 807 HD23 LEU 112 3HD2 LEU 112 -2.121 -12.066 5.226 808 H GLY 113 H GLY 113 -3.382 -11.749 11.590 809 HA2 GLY 113 1HA GLY 113 -3.401 -12.852 13.636 810 HA3 GLY 113 2HA GLY 113 -2.566 -14.203 12.884 811 H ARG 114 H ARG 114 -1.201 -11.091 12.395 812 HA ARG 114 HA ARG 114 0.968 -11.787 14.252 813 HB2 ARG 114 1HB ARG 114 0.924 -10.036 11.793 814 HB3 ARG 114 2HB ARG 114 2.296 -10.130 12.889 815 HG2 ARG 114 1HG ARG 114 2.632 -12.440 12.381 816 HG3 ARG 114 2HG ARG 114 1.134 -12.502 11.449 817 HD2 ARG 114 1HD ARG 114 2.029 -11.127 9.746 818 HD3 ARG 114 2HD ARG 114 3.411 -10.670 10.740 819 HE ARG 114 HE ARG 114 3.419 -13.456 10.360 820 HH11 ARG 114 2HH1 ARG 114 3.933 -10.497 8.600 821 HH12 ARG 114 1HH1 ARG 114 5.035 -11.208 7.468 822 HH21 ARG 114 2HH2 ARG 114 4.868 -14.404 8.876 823 HH22 ARG 114 1HH2 ARG 114 5.565 -13.431 7.625 824 H LEU 115 H LEU 115 -0.189 -10.943 16.077 825 HA LEU 115 HA LEU 115 -0.844 -8.128 16.135 826 HB2 LEU 115 1HB LEU 115 -0.903 -10.271 18.251 827 HB3 LEU 115 2HB LEU 115 -1.398 -8.602 18.527 828 HG LEU 115 HG LEU 115 -2.750 -10.729 16.904 829 HD11 LEU 115 1HD1 LEU 115 -4.489 -9.051 18.383 830 HD12 LEU 115 2HD1 LEU 115 -3.149 -9.506 19.435 831 HD13 LEU 115 3HD1 LEU 115 -4.114 -10.754 18.647 832 HD21 LEU 115 1HD2 LEU 115 -2.873 -9.053 15.326 833 HD22 LEU 115 2HD2 LEU 115 -2.869 -7.767 16.533 834 HD23 LEU 115 3HD2 LEU 115 -4.318 -8.743 16.288 835 H ASP 116 H ASP 116 1.746 -10.218 17.183 836 HA ASP 116 HA ASP 116 2.991 -8.416 18.977 837 HB2 ASP 116 1HB ASP 116 4.113 -10.733 17.390 838 HB3 ASP 116 2HB ASP 116 5.008 -9.862 18.633 839 H GLN 117 H GLN 117 3.668 -9.205 15.571 840 HA GLN 117 HA GLN 117 5.723 -7.278 15.275 841 HB2 GLN 117 1HB GLN 117 3.999 -8.716 13.258 842 HB3 GLN 117 2HB GLN 117 5.311 -7.635 12.806 843 HG2 GLN 117 1HG GLN 117 5.932 -10.024 12.770 844 HG3 GLN 117 2HG GLN 117 6.926 -9.051 13.853 845 HE21 GLN 117 1HE2 GLN 117 4.019 -11.075 13.851 846 HE22 GLN 117 2HE2 GLN 117 4.293 -11.773 15.407 847 H ALA 118 H ALA 118 2.295 -7.269 14.325 848 HA ALA 118 HA ALA 118 2.005 -4.933 13.018 849 HB1 ALA 118 1HB ALA 118 -0.126 -4.794 14.752 850 HB2 ALA 118 2HB ALA 118 -0.073 -5.714 13.248 851 HB3 ALA 118 3HB ALA 118 0.302 -6.504 14.779 852 H VAL 119 H VAL 119 2.488 -5.274 16.499 853 HA VAL 119 HA VAL 119 2.101 -2.550 17.158 854 HB VAL 119 HB VAL 119 3.503 -4.813 18.554 855 HG11 VAL 119 1HG1 VAL 119 4.756 -3.293 19.620 856 HG12 VAL 119 2HG1 VAL 119 3.768 -1.944 19.057 857 HG13 VAL 119 3HG1 VAL 119 3.267 -2.878 20.467 858 HG21 VAL 119 1HG2 VAL 119 1.669 -4.622 20.122 859 HG22 VAL 119 2HG2 VAL 119 1.053 -3.204 19.272 860 HG23 VAL 119 3HG2 VAL 119 1.036 -4.782 18.484 861 H LEU 120 H LEU 120 5.060 -4.452 16.609 862 HA LEU 120 HA LEU 120 6.924 -2.439 17.029 863 HB2 LEU 120 1HB LEU 120 7.160 -4.605 14.952 864 HB3 LEU 120 2HB LEU 120 8.471 -3.769 15.780 865 HG LEU 120 HG LEU 120 6.525 -5.412 17.349 866 HD11 LEU 120 1HD1 LEU 120 7.417 -7.406 16.777 867 HD12 LEU 120 2HD1 LEU 120 9.007 -6.724 16.435 868 HD13 LEU 120 3HD1 LEU 120 7.711 -6.576 15.249 869 HD21 LEU 120 1HD2 LEU 120 8.891 -3.933 17.872 870 HD22 LEU 120 2HD2 LEU 120 9.235 -5.639 18.156 871 HD23 LEU 120 3HD2 LEU 120 7.898 -4.857 18.999 872 H ASP 121 H ASP 121 5.382 -3.415 13.974 873 HA ASP 121 HA ASP 121 6.613 -1.630 12.263 874 HB2 ASP 121 1HB ASP 121 5.097 -3.430 11.524 875 HB3 ASP 121 2HB ASP 121 3.726 -2.532 12.171 876 H LEU 122 H LEU 122 3.559 -1.138 14.034 877 HA LEU 122 HA LEU 122 3.137 1.508 13.211 878 HB2 LEU 122 1HB LEU 122 2.222 -0.089 15.575 879 HB3 LEU 122 2HB LEU 122 1.800 1.615 15.415 880 HG LEU 122 HG LEU 122 1.105 -0.505 13.385 881 HD11 LEU 122 1HD1 LEU 122 -1.122 0.631 14.809 882 HD12 LEU 122 2HD1 LEU 122 0.000 -0.148 15.923 883 HD13 LEU 122 3HD1 LEU 122 -0.681 -1.061 14.577 884 HD21 LEU 122 1HD2 LEU 122 -0.430 1.215 12.539 885 HD22 LEU 122 2HD2 LEU 122 1.255 1.730 12.449 886 HD23 LEU 122 3HD2 LEU 122 0.208 2.356 13.724 887 H GLN 123 H GLN 123 4.574 0.270 16.228 888 HA GLN 123 HA GLN 123 5.137 2.453 17.651 889 HB2 GLN 123 1HB GLN 123 6.880 0.093 17.027 890 HB3 GLN 123 2HB GLN 123 7.478 1.382 18.062 891 HG2 GLN 123 1HG GLN 123 5.406 1.038 19.467 892 HG3 GLN 123 2HG GLN 123 5.133 -0.431 18.531 893 HE21 GLN 123 1HE2 GLN 123 5.696 -0.076 21.381 894 HE22 GLN 123 2HE2 GLN 123 7.109 -1.015 21.704 895 H ARG 124 H ARG 124 6.765 1.570 14.654 896 HA ARG 124 HA ARG 124 8.777 3.536 14.721 897 HB2 ARG 124 1HB ARG 124 7.479 1.965 12.516 898 HB3 ARG 124 2HB ARG 124 8.651 3.223 12.146 899 HG2 ARG 124 1HG ARG 124 10.347 2.083 13.422 900 HG3 ARG 124 2HG ARG 124 9.179 0.867 13.943 901 HD2 ARG 124 1HD ARG 124 10.279 -0.191 12.198 902 HD3 ARG 124 2HD ARG 124 8.835 0.453 11.417 903 HE ARG 124 HE ARG 124 10.909 2.335 11.211 904 HH11 ARG 124 2HH1 ARG 124 9.996 -0.798 9.997 905 HH12 ARG 124 1HH1 ARG 124 10.848 -0.611 8.501 906 HH21 ARG 124 2HH2 ARG 124 12.035 2.593 9.244 907 HH22 ARG 124 1HH2 ARG 124 12.009 1.318 8.074 908 H CYS 125 H CYS 125 5.610 3.531 13.089 909 HA CYS 125 HA CYS 125 5.647 5.978 11.881 910 HB2 CYS 125 1HB CYS 125 3.263 4.892 13.389 911 HB3 CYS 125 2HB CYS 125 3.237 5.991 12.016 912 HG CYS 125 HG CYS 125 3.347 4.214 10.136 913 H VAL 126 H VAL 126 5.485 5.303 15.279 914 HA VAL 126 HA VAL 126 4.589 7.907 16.073 915 HB VAL 126 HB VAL 126 6.041 5.882 17.776 916 HG11 VAL 126 1HG1 VAL 126 5.081 8.488 18.286 917 HG12 VAL 126 2HG1 VAL 126 4.013 7.364 19.128 918 HG13 VAL 126 3HG1 VAL 126 5.750 7.329 19.434 919 HG21 VAL 126 1HG2 VAL 126 3.106 6.030 17.916 920 HG22 VAL 126 2HG2 VAL 126 3.757 5.328 16.434 921 HG23 VAL 126 3HG2 VAL 126 4.179 4.632 17.999 922 H SER 127 H SER 127 7.718 6.292 15.794 923 HA SER 127 HA SER 127 9.272 8.309 16.998 924 HB2 SER 127 1HB SER 127 10.195 6.098 16.674 925 HB3 SER 127 2HB SER 127 10.003 6.227 14.926 926 HG SER 127 HG SER 127 11.530 8.155 16.268 927 H LEU 128 H LEU 128 8.964 7.553 13.522 928 HA LEU 128 HA LEU 128 10.251 9.789 12.533 929 HB2 LEU 128 1HB LEU 128 8.219 7.906 11.485 930 HB3 LEU 128 2HB LEU 128 8.449 9.411 10.596 931 HG LEU 128 HG LEU 128 10.995 8.663 10.743 932 HD11 LEU 128 1HD1 LEU 128 11.096 6.191 10.384 933 HD12 LEU 128 2HD1 LEU 128 9.431 6.099 10.958 934 HD13 LEU 128 3HD1 LEU 128 10.703 6.681 12.032 935 HD21 LEU 128 1HD2 LEU 128 10.630 8.726 8.557 936 HD22 LEU 128 2HD2 LEU 128 8.899 8.510 8.816 937 HD23 LEU 128 3HD2 LEU 128 9.947 7.102 8.634 938 H GLU 129 H GLU 129 6.803 9.386 13.280 939 HA GLU 129 HA GLU 129 6.533 12.319 13.167 940 HB2 GLU 129 1HB GLU 129 4.437 10.236 12.522 941 HB3 GLU 129 2HB GLU 129 4.168 11.973 12.546 942 HG2 GLU 129 1HG GLU 129 5.562 10.294 10.550 943 HG3 GLU 129 2HG GLU 129 4.496 11.680 10.324 944 HA PRO 130 HA PRO 130 5.745 11.218 17.526 945 HB2 PRO 130 1HB PRO 130 6.531 13.632 18.488 946 HB3 PRO 130 2HB PRO 130 7.668 12.333 18.107 947 HG2 PRO 130 1HG PRO 130 6.923 14.734 16.483 948 HG3 PRO 130 2HG PRO 130 8.525 14.027 16.765 949 HD2 PRO 130 1HD PRO 130 7.123 13.599 14.488 950 HD3 PRO 130 2HD PRO 130 8.216 12.383 15.179 951 H LYS 131 H LYS 131 4.824 14.094 15.699 952 HA LYS 131 HA LYS 131 2.769 14.900 17.517 953 HB2 LYS 131 1HB LYS 131 3.606 15.713 14.759 954 HB3 LYS 131 2HB LYS 131 2.050 16.247 15.382 955 HG2 LYS 131 1HG LYS 131 3.441 17.999 15.937 956 HG3 LYS 131 2HG LYS 131 3.414 17.052 17.427 957 HD2 LYS 131 1HD LYS 131 5.547 16.101 16.952 958 HD3 LYS 131 2HD LYS 131 5.541 16.757 15.313 959 HE2 LYS 131 1HE LYS 131 6.870 18.307 16.325 960 HE3 LYS 131 2HE LYS 131 5.296 19.043 16.624 961 HZ1 LYS 131 1HZ LYS 131 7.186 17.943 18.488 962 HZ2 LYS 131 2HZ LYS 131 5.608 17.387 18.740 963 HZ3 LYS 131 3HZ LYS 131 5.931 19.048 18.747 964 H ASN 132 H ASN 132 2.893 12.986 14.563 965 HA ASN 132 HA ASN 132 0.209 12.797 13.944 966 HB2 ASN 132 1HB ASN 132 2.569 11.025 13.553 967 HB3 ASN 132 2HB ASN 132 0.976 10.325 13.278 968 HD21 ASN 132 1HD2 ASN 132 2.447 13.489 12.623 969 HD22 ASN 132 2HD2 ASN 132 2.038 13.519 10.944 970 H LYS 133 H LYS 133 -1.370 12.420 15.362 971 HA LYS 133 HA LYS 133 -1.001 10.646 17.610 972 HB2 LYS 133 1HB LYS 133 -2.423 12.856 17.427 973 HB3 LYS 133 2HB LYS 133 -3.667 11.761 16.838 974 HG2 LYS 133 1HG LYS 133 -3.818 10.638 18.861 975 HG3 LYS 133 2HG LYS 133 -2.233 11.196 19.401 976 HD2 LYS 133 1HD LYS 133 -3.582 12.560 20.649 977 HD3 LYS 133 2HD LYS 133 -3.383 13.563 19.210 978 HE2 LYS 133 1HE LYS 133 -5.522 13.144 18.461 979 HE3 LYS 133 2HE LYS 133 -5.642 11.617 19.335 980 HZ1 LYS 133 1HZ LYS 133 -6.882 13.771 20.147 981 HZ2 LYS 133 2HZ LYS 133 -5.400 14.074 20.904 982 HZ3 LYS 133 3HZ LYS 133 -6.250 12.652 21.248 983 H VAL 134 H VAL 134 -2.514 10.558 14.467 984 HA VAL 134 HA VAL 134 -4.294 8.478 14.690 985 HB VAL 134 HB VAL 134 -2.443 9.186 12.420 986 HG11 VAL 134 1HG1 VAL 134 -2.835 7.107 11.658 987 HG12 VAL 134 2HG1 VAL 134 -4.203 6.856 12.745 988 HG13 VAL 134 3HG1 VAL 134 -4.423 7.754 11.243 989 HG21 VAL 134 1HG2 VAL 134 -4.400 10.672 13.247 990 HG22 VAL 134 2HG2 VAL 134 -4.227 10.361 11.519 991 HG23 VAL 134 3HG2 VAL 134 -5.422 9.469 12.461 992 H PHE 135 H PHE 135 -0.823 8.367 14.784 993 HA PHE 135 HA PHE 135 -0.675 5.509 14.399 994 HB2 PHE 135 1HB PHE 135 1.449 7.457 15.324 995 HB3 PHE 135 2HB PHE 135 1.723 5.789 14.831 996 HD1 PHE 135 1HD PHE 135 -0.114 5.716 12.459 997 HD2 PHE 135 2HD PHE 135 2.731 8.610 13.741 998 HE1 PHE 135 1HE PHE 135 0.181 6.452 10.130 999 HE2 PHE 135 2HE PHE 135 3.030 9.352 11.414 1000 HZ PHE 135 HZ PHE 135 1.754 8.273 9.605 1001 H GLN 136 H GLN 136 -0.411 7.781 17.096 1002 HA GLN 136 HA GLN 136 0.237 5.848 19.060 1003 HB2 GLN 136 1HB GLN 136 -1.039 8.573 19.339 1004 HB3 GLN 136 2HB GLN 136 -0.439 7.608 20.682 1005 HG2 GLN 136 1HG GLN 136 1.793 7.832 19.987 1006 HG3 GLN 136 2HG GLN 136 1.320 8.427 18.396 1007 HE21 GLN 136 1HE2 GLN 136 1.678 10.499 18.143 1008 HE22 GLN 136 2HE2 GLN 136 1.575 11.715 19.365 1009 H GLU 137 H GLU 137 -2.808 7.160 17.870 1010 HA GLU 137 HA GLU 137 -4.477 6.017 19.839 1011 HB2 GLU 137 1HB GLU 137 -6.296 6.376 18.167 1012 HB3 GLU 137 2HB GLU 137 -5.320 7.804 18.479 1013 HG2 GLU 137 1HG GLU 137 -5.417 7.909 16.218 1014 HG3 GLU 137 2HG GLU 137 -3.976 6.909 16.392 1015 H ALA 138 H ALA 138 -3.358 4.863 16.691 1016 HA ALA 138 HA ALA 138 -4.932 2.526 16.593 1017 HB1 ALA 138 1HB ALA 138 -4.057 2.494 14.557 1018 HB2 ALA 138 2HB ALA 138 -2.897 3.741 15.014 1019 HB3 ALA 138 3HB ALA 138 -2.497 2.039 15.243 1020 H LEU 139 H LEU 139 -1.411 2.677 17.147 1021 HA LEU 139 HA LEU 139 -0.804 0.218 17.943 1022 HB2 LEU 139 1HB LEU 139 0.631 2.322 18.043 1023 HB3 LEU 139 2HB LEU 139 0.015 2.528 19.681 1024 HG LEU 139 HG LEU 139 0.930 0.032 19.905 1025 HD11 LEU 139 1HD1 LEU 139 3.237 0.891 18.401 1026 HD12 LEU 139 2HD1 LEU 139 1.823 0.720 17.362 1027 HD13 LEU 139 3HD1 LEU 139 2.361 -0.639 18.347 1028 HD21 LEU 139 1HD2 LEU 139 3.236 1.423 20.353 1029 HD22 LEU 139 2HD2 LEU 139 1.886 1.303 21.482 1030 HD23 LEU 139 3HD2 LEU 139 2.020 2.699 20.412 1031 H ARG 140 H ARG 140 -1.796 2.570 20.437 1032 HA ARG 140 HA ARG 140 -2.120 1.034 22.597 1033 HB2 ARG 140 1HB ARG 140 -3.925 3.199 21.548 1034 HB3 ARG 140 2HB ARG 140 -4.247 2.414 23.088 1035 HG2 ARG 140 1HG ARG 140 -1.586 3.656 22.489 1036 HG3 ARG 140 2HG ARG 140 -2.939 4.605 23.108 1037 HD2 ARG 140 1HD ARG 140 -1.939 2.104 24.450 1038 HD3 ARG 140 2HD ARG 140 -1.318 3.709 24.832 1039 HE ARG 140 HE ARG 140 -4.118 3.745 25.022 1040 HH11 ARG 140 2HH1 ARG 140 -1.341 2.408 26.640 1041 HH12 ARG 140 1HH1 ARG 140 -2.105 2.362 28.194 1042 HH21 ARG 140 2HH2 ARG 140 -5.136 3.689 27.062 1043 HH22 ARG 140 1HH2 ARG 140 -4.264 3.090 28.433 1044 H ASN 141 H ASN 141 -4.403 1.148 19.894 1045 HA ASN 141 HA ASN 141 -6.478 -0.357 20.846 1046 HB2 ASN 141 1HB ASN 141 -5.283 -0.607 18.077 1047 HB3 ASN 141 2HB ASN 141 -6.933 -1.010 18.543 1048 HD21 ASN 141 1HD2 ASN 141 -6.697 0.650 16.513 1049 HD22 ASN 141 2HD2 ASN 141 -7.070 2.275 16.964 1050 H ILE 142 H ILE 142 -3.827 -1.771 18.921 1051 HA ILE 142 HA ILE 142 -4.450 -4.420 19.825 1052 HB ILE 142 HB ILE 142 -2.683 -5.185 18.443 1053 HG12 ILE 142 1HG1 ILE 142 -1.693 -2.329 18.479 1054 HG13 ILE 142 2HG1 ILE 142 -0.889 -3.742 19.153 1055 HG21 ILE 142 1HG2 ILE 142 -3.657 -2.755 16.974 1056 HG22 ILE 142 2HG2 ILE 142 -3.315 -4.364 16.341 1057 HG23 ILE 142 3HG2 ILE 142 -4.727 -4.102 17.364 1058 HD11 ILE 142 1HD1 ILE 142 -1.353 -3.145 16.242 1059 HD12 ILE 142 2HD1 ILE 142 0.184 -3.117 17.107 1060 HD13 ILE 142 3HD1 ILE 142 -0.663 -4.644 16.863 1061 H SER 143 H SER 143 -1.753 -2.166 20.364 1062 HA SER 143 HA SER 143 -0.090 -3.656 21.924 1063 HB2 SER 143 1HB SER 143 0.348 -1.312 21.266 1064 HB3 SER 143 2HB SER 143 -0.845 -0.770 22.446 1065 HG SER 143 HG SER 143 1.196 -0.650 23.364 1066 H GLY 144 H GLY 144 -2.968 -1.889 23.035 1067 HA2 GLY 144 1HA GLY 144 -4.431 -2.828 24.689 1068 HA3 GLY 144 2HA GLY 144 -3.055 -3.689 25.361 1069 HA PRO 145 HA PRO 145 -3.967 0.267 27.759 1070 HB2 PRO 145 1HB PRO 145 -4.622 -0.928 30.107 1071 HB3 PRO 145 2HB PRO 145 -5.811 -0.561 28.851 1072 HG2 PRO 145 1HG PRO 145 -4.445 -3.153 29.466 1073 HG3 PRO 145 2HG PRO 145 -6.147 -2.852 29.070 1074 HD2 PRO 145 1HD PRO 145 -4.370 -3.780 27.250 1075 HD3 PRO 145 2HD PRO 145 -5.729 -2.727 26.807 1076 H SER 146 H SER 146 -1.937 -2.435 27.870 1077 HA SER 146 HA SER 146 -0.477 -2.355 30.139 1078 HB2 SER 146 1HB SER 146 1.411 -3.159 28.902 1079 HB3 SER 146 2HB SER 146 -0.031 -3.776 28.097 1080 HG SER 146 HG SER 146 0.291 -2.430 26.442 1081 H SER 147 H SER 147 0.025 -0.582 31.265 1082 HA SER 147 HA SER 147 1.899 1.306 30.122 1083 HB2 SER 147 1HB SER 147 0.475 3.262 30.948 1084 HB3 SER 147 2HB SER 147 -0.066 2.465 29.471 1085 HG SER 147 HG SER 147 -1.324 2.702 31.860 1086 H GLY 148 H GLY 148 3.444 1.534 31.589 1087 HA2 GLY 148 1HA GLY 148 3.970 2.475 33.809 1088 HA3 GLY 148 2HA GLY 148 2.676 1.467 34.442 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -21.630 -13.446 -3.829 2 HA2 GLY 1 1HA GLY 1 -22.667 -12.462 -5.752 3 HA3 GLY 1 2HA GLY 1 -21.067 -12.109 -6.388 4 H SER 2 H SER 2 -20.443 -13.346 -8.017 5 HA SER 2 HA SER 2 -21.379 -16.134 -8.111 6 HB2 SER 2 1HB SER 2 -21.744 -15.955 -10.516 7 HB3 SER 2 2HB SER 2 -22.716 -14.748 -9.674 8 HG SER 2 HG SER 2 -21.547 -13.961 -11.547 9 H SER 3 H SER 3 -19.702 -17.459 -8.088 10 HA SER 3 HA SER 3 -17.073 -16.497 -8.884 11 HB2 SER 3 1HB SER 3 -18.101 -18.796 -7.286 12 HB3 SER 3 2HB SER 3 -16.535 -18.977 -8.076 13 HG SER 3 HG SER 3 -16.728 -17.988 -5.826 14 H GLY 4 H GLY 4 -17.157 -16.425 -11.120 15 HA2 GLY 4 1HA GLY 4 -16.964 -19.034 -12.419 16 HA3 GLY 4 2HA GLY 4 -18.202 -17.940 -13.018 17 H SER 5 H SER 5 -16.801 -18.396 -14.997 18 HA SER 5 HA SER 5 -14.242 -17.207 -15.212 19 HB2 SER 5 1HB SER 5 -14.560 -17.469 -17.651 20 HB3 SER 5 2HB SER 5 -14.983 -18.938 -16.772 21 HG SER 5 HG SER 5 -17.088 -18.586 -17.159 22 H SER 6 H SER 6 -13.759 -15.405 -16.767 23 HA SER 6 HA SER 6 -15.795 -13.390 -17.110 24 HB2 SER 6 1HB SER 6 -14.736 -11.669 -15.776 25 HB3 SER 6 2HB SER 6 -15.052 -13.064 -14.745 26 HG SER 6 HG SER 6 -12.816 -11.905 -14.890 27 H GLY 7 H GLY 7 -14.984 -11.497 -18.298 28 HA2 GLY 7 1HA GLY 7 -13.600 -12.102 -20.572 29 HA3 GLY 7 2HA GLY 7 -13.686 -10.478 -19.906 30 H MET 8 H MET 8 -11.667 -13.068 -20.675 31 HA MET 8 HA MET 8 -9.557 -12.429 -18.816 32 HB2 MET 8 1HB MET 8 -10.132 -14.701 -20.048 33 HB3 MET 8 2HB MET 8 -9.068 -14.039 -21.281 34 HG2 MET 8 1HG MET 8 -7.341 -13.736 -19.493 35 HG3 MET 8 2HG MET 8 -8.401 -14.640 -18.415 36 HE1 MET 8 1HE MET 8 -9.348 -16.878 -18.944 37 HE2 MET 8 2HE MET 8 -8.370 -18.179 -19.624 38 HE3 MET 8 3HE MET 8 -7.851 -17.365 -18.147 39 H THR 9 H THR 9 -9.931 -12.198 -22.356 40 HA THR 9 HA THR 9 -8.428 -9.718 -22.365 41 HB THR 9 HB THR 9 -6.954 -10.639 -24.267 42 HG1 THR 9 1HG THR 9 -7.808 -12.655 -24.590 43 HG21 THR 9 1HG2 THR 9 -5.214 -11.037 -22.777 44 HG22 THR 9 2HG2 THR 9 -6.265 -11.837 -21.608 45 HG23 THR 9 3HG2 THR 9 -6.337 -10.086 -21.806 46 H VAL 10 H VAL 10 -8.227 -8.895 -24.703 47 HA VAL 10 HA VAL 10 -10.843 -9.233 -25.955 48 HB VAL 10 HB VAL 10 -10.029 -6.946 -25.462 49 HG11 VAL 10 1HG1 VAL 10 -7.604 -7.746 -26.198 50 HG12 VAL 10 2HG1 VAL 10 -8.127 -7.056 -27.735 51 HG13 VAL 10 3HG1 VAL 10 -8.102 -6.057 -26.281 52 HG21 VAL 10 1HG2 VAL 10 -11.557 -7.631 -27.436 53 HG22 VAL 10 2HG2 VAL 10 -10.888 -5.999 -27.400 54 HG23 VAL 10 3HG2 VAL 10 -10.164 -7.226 -28.440 55 H SER 11 H SER 11 -11.136 -9.773 -28.111 56 HA SER 11 HA SER 11 -8.798 -11.006 -29.413 57 HB2 SER 11 1HB SER 11 -11.726 -11.753 -29.542 58 HB3 SER 11 2HB SER 11 -10.492 -12.448 -30.594 59 HG SER 11 HG SER 11 -11.155 -13.370 -28.305 60 H GLY 12 H GLY 12 -8.911 -11.068 -31.818 61 HA2 GLY 12 1HA GLY 12 -9.731 -10.143 -33.870 62 HA3 GLY 12 2HA GLY 12 -10.398 -8.799 -32.955 63 HA PRO 13 HA PRO 13 -6.218 -7.726 -34.883 64 HB2 PRO 13 1HB PRO 13 -7.128 -5.865 -36.638 65 HB3 PRO 13 2HB PRO 13 -6.982 -7.579 -37.045 66 HG2 PRO 13 1HG PRO 13 -9.406 -6.027 -36.221 67 HG3 PRO 13 2HG PRO 13 -9.238 -7.245 -37.500 68 HD2 PRO 13 1HD PRO 13 -10.311 -7.812 -35.079 69 HD3 PRO 13 2HD PRO 13 -9.389 -9.004 -36.018 70 H GLY 14 H GLY 14 -9.028 -5.738 -34.032 71 HA2 GLY 14 1HA GLY 14 -9.104 -4.045 -32.427 72 HA3 GLY 14 2HA GLY 14 -7.353 -4.117 -32.303 73 H THR 15 H THR 15 -9.895 -3.182 -34.616 74 HA THR 15 HA THR 15 -8.277 -0.811 -35.273 75 HB THR 15 HB THR 15 -9.837 -2.492 -37.246 76 HG1 THR 15 1HG THR 15 -7.606 -3.122 -36.442 77 HG21 THR 15 1HG2 THR 15 -8.481 0.173 -37.463 78 HG22 THR 15 2HG2 THR 15 -10.067 -0.321 -38.053 79 HG23 THR 15 3HG2 THR 15 -8.608 -0.885 -38.867 80 HA PRO 16 HA PRO 16 -12.496 0.492 -33.921 81 HB2 PRO 16 1HB PRO 16 -11.619 2.652 -32.530 82 HB3 PRO 16 2HB PRO 16 -11.695 1.029 -31.835 83 HG2 PRO 16 1HG PRO 16 -9.345 2.495 -32.971 84 HG3 PRO 16 2HG PRO 16 -9.444 1.507 -31.502 85 HD2 PRO 16 1HD PRO 16 -8.400 0.572 -33.819 86 HD3 PRO 16 2HD PRO 16 -9.260 -0.472 -32.669 87 H GLU 17 H GLU 17 -13.342 2.892 -33.992 88 HA GLU 17 HA GLU 17 -13.209 3.743 -36.662 89 HB2 GLU 17 1HB GLU 17 -14.334 4.908 -34.146 90 HB3 GLU 17 2HB GLU 17 -14.260 5.903 -35.593 91 HG2 GLU 17 1HG GLU 17 -16.427 4.865 -35.402 92 HG3 GLU 17 2HG GLU 17 -15.571 4.227 -36.804 93 HA PRO 18 HA PRO 18 -9.661 6.322 -36.862 94 HB2 PRO 18 1HB PRO 18 -10.471 8.150 -38.699 95 HB3 PRO 18 2HB PRO 18 -10.064 6.481 -39.119 96 HG2 PRO 18 1HG PRO 18 -12.753 7.723 -38.684 97 HG3 PRO 18 2HG PRO 18 -12.235 6.589 -39.945 98 HD2 PRO 18 1HD PRO 18 -13.626 5.801 -37.759 99 HD3 PRO 18 2HD PRO 18 -12.429 4.760 -38.555 100 H ARG 19 H ARG 19 -9.405 7.371 -34.928 101 HA ARG 19 HA ARG 19 -10.958 9.835 -34.508 102 HB2 ARG 19 1HB ARG 19 -9.496 8.049 -32.562 103 HB3 ARG 19 2HB ARG 19 -10.141 9.625 -32.126 104 HG2 ARG 19 1HG ARG 19 -12.310 8.917 -32.204 105 HG3 ARG 19 2HG ARG 19 -11.971 7.659 -33.395 106 HD2 ARG 19 1HD ARG 19 -11.293 6.153 -31.813 107 HD3 ARG 19 2HD ARG 19 -10.734 7.406 -30.705 108 HE ARG 19 HE ARG 19 -13.259 6.159 -30.677 109 HH11 ARG 19 2HH1 ARG 19 -11.786 9.293 -30.315 110 HH12 ARG 19 1HH1 ARG 19 -13.029 9.902 -29.274 111 HH21 ARG 19 2HH2 ARG 19 -14.903 6.950 -29.307 112 HH22 ARG 19 1HH2 ARG 19 -14.801 8.568 -28.701 113 HA PRO 20 HA PRO 20 -7.410 12.357 -35.070 114 HB2 PRO 20 1HB PRO 20 -7.895 14.355 -33.297 115 HB3 PRO 20 2HB PRO 20 -8.801 14.166 -34.803 116 HG2 PRO 20 1HG PRO 20 -9.553 13.344 -32.025 117 HG3 PRO 20 2HG PRO 20 -10.549 14.120 -33.270 118 HD2 PRO 20 1HD PRO 20 -10.670 11.465 -32.752 119 HD3 PRO 20 2HD PRO 20 -10.937 12.134 -34.375 120 H ALA 21 H ALA 21 -5.742 13.656 -33.671 121 HA ALA 21 HA ALA 21 -4.322 11.784 -32.109 122 HB1 ALA 21 1HB ALA 21 -3.949 14.558 -32.982 123 HB2 ALA 21 2HB ALA 21 -3.165 14.156 -31.453 124 HB3 ALA 21 3HB ALA 21 -2.797 13.224 -32.904 125 H THR 22 H THR 22 -3.631 12.073 -29.863 126 HA THR 22 HA THR 22 -4.992 13.764 -28.057 127 HB THR 22 HB THR 22 -6.921 12.340 -28.553 128 HG1 THR 22 1HG THR 22 -7.428 11.966 -26.427 129 HG21 THR 22 1HG2 THR 22 -5.845 10.300 -29.234 130 HG22 THR 22 2HG2 THR 22 -6.863 9.950 -27.837 131 HG23 THR 22 3HG2 THR 22 -5.117 10.099 -27.641 132 HA PRO 23 HA PRO 23 -1.521 12.465 -25.673 133 HB2 PRO 23 1HB PRO 23 -2.283 13.452 -23.262 134 HB3 PRO 23 2HB PRO 23 -1.712 14.478 -24.583 135 HG2 PRO 23 1HG PRO 23 -4.517 13.893 -23.717 136 HG3 PRO 23 2HG PRO 23 -3.793 15.439 -24.194 137 HD2 PRO 23 1HD PRO 23 -5.328 13.970 -25.872 138 HD3 PRO 23 2HD PRO 23 -3.983 14.978 -26.445 139 H GLY 24 H GLY 24 -1.438 10.281 -25.442 140 HA2 GLY 24 1HA GLY 24 -3.426 8.704 -24.199 141 HA3 GLY 24 2HA GLY 24 -1.781 8.193 -24.549 142 H ALA 25 H ALA 25 -3.142 7.373 -22.265 143 HA ALA 25 HA ALA 25 -1.865 8.926 -20.115 144 HB1 ALA 25 1HB ALA 25 -4.012 8.846 -19.400 145 HB2 ALA 25 2HB ALA 25 -4.367 7.358 -20.280 146 HB3 ALA 25 3HB ALA 25 -3.484 7.291 -18.756 147 H SER 26 H SER 26 -0.105 7.419 -21.476 148 HA SER 26 HA SER 26 0.163 4.830 -20.179 149 HB2 SER 26 1HB SER 26 0.683 5.285 -22.648 150 HB3 SER 26 2HB SER 26 2.146 6.086 -22.075 151 HG SER 26 HG SER 26 1.581 3.427 -22.272 152 H SER 27 H SER 27 2.100 7.803 -20.506 153 HA SER 27 HA SER 27 4.244 7.245 -18.939 154 HB2 SER 27 1HB SER 27 2.738 9.861 -18.760 155 HB3 SER 27 2HB SER 27 4.464 9.601 -18.503 156 HG SER 27 HG SER 27 4.235 8.723 -20.829 157 H VAL 28 H VAL 28 4.506 6.516 -16.945 158 HA VAL 28 HA VAL 28 2.525 5.974 -15.122 159 HB VAL 28 HB VAL 28 4.533 4.911 -14.663 160 HG11 VAL 28 1HG1 VAL 28 6.467 6.852 -14.079 161 HG12 VAL 28 2HG1 VAL 28 6.412 5.774 -15.476 162 HG13 VAL 28 3HG1 VAL 28 5.688 7.380 -15.570 163 HG21 VAL 28 1HG2 VAL 28 5.079 6.918 -12.594 164 HG22 VAL 28 2HG2 VAL 28 3.397 6.394 -12.686 165 HG23 VAL 28 3HG2 VAL 28 4.678 5.207 -12.440 166 H GLU 29 H GLU 29 4.552 8.878 -15.309 167 HA GLU 29 HA GLU 29 3.677 10.150 -12.992 168 HB2 GLU 29 1HB GLU 29 5.590 10.902 -14.370 169 HB3 GLU 29 2HB GLU 29 4.466 11.446 -15.607 170 HG2 GLU 29 1HG GLU 29 4.831 13.412 -14.539 171 HG3 GLU 29 2HG GLU 29 3.459 12.824 -13.601 172 H GLN 30 H GLN 30 2.093 9.696 -16.033 173 HA GLN 30 HA GLN 30 0.070 11.710 -15.462 174 HB2 GLN 30 1HB GLN 30 0.736 11.611 -17.749 175 HB3 GLN 30 2HB GLN 30 0.535 9.865 -17.801 176 HG2 GLN 30 1HG GLN 30 -1.843 10.069 -17.662 177 HG3 GLN 30 2HG GLN 30 -1.724 11.806 -17.385 178 HE21 GLN 30 1HE2 GLN 30 -3.258 11.726 -19.244 179 HE22 GLN 30 2HE2 GLN 30 -2.583 11.772 -20.834 180 H LEU 31 H LEU 31 -0.108 8.291 -16.466 181 HA LEU 31 HA LEU 31 -2.685 7.749 -15.765 182 HB2 LEU 31 1HB LEU 31 -2.171 5.527 -15.936 183 HB3 LEU 31 2HB LEU 31 -0.804 6.252 -16.780 184 HG LEU 31 HG LEU 31 0.333 6.086 -14.415 185 HD11 LEU 31 1HD1 LEU 31 -1.050 3.564 -14.034 186 HD12 LEU 31 2HD1 LEU 31 -2.113 4.954 -13.818 187 HD13 LEU 31 3HD1 LEU 31 -0.636 4.817 -12.864 188 HD21 LEU 31 1HD2 LEU 31 1.439 4.184 -15.155 189 HD22 LEU 31 2HD2 LEU 31 0.818 4.887 -16.649 190 HD23 LEU 31 3HD2 LEU 31 -0.007 3.514 -15.910 191 H ARG 32 H ARG 32 0.007 8.261 -13.642 192 HA ARG 32 HA ARG 32 -0.573 7.032 -11.319 193 HB2 ARG 32 1HB ARG 32 1.164 8.909 -11.885 194 HB3 ARG 32 2HB ARG 32 -0.054 9.980 -11.206 195 HG2 ARG 32 1HG ARG 32 0.214 9.172 -9.086 196 HG3 ARG 32 2HG ARG 32 0.759 7.588 -9.641 197 HD2 ARG 32 1HD ARG 32 2.741 8.441 -8.891 198 HD3 ARG 32 2HD ARG 32 2.789 8.993 -10.565 199 HE ARG 32 HE ARG 32 2.784 11.121 -9.767 200 HH11 ARG 32 2HH1 ARG 32 1.293 9.062 -7.388 201 HH12 ARG 32 1HH1 ARG 32 1.068 10.337 -6.236 202 HH21 ARG 32 2HH2 ARG 32 2.493 12.807 -8.259 203 HH22 ARG 32 1HH2 ARG 32 1.749 12.467 -6.733 204 H LYS 33 H LYS 33 -2.297 9.810 -12.642 205 HA LYS 33 HA LYS 33 -3.966 10.249 -10.393 206 HB2 LYS 33 1HB LYS 33 -4.367 10.963 -13.304 207 HB3 LYS 33 2HB LYS 33 -5.363 11.558 -11.982 208 HG2 LYS 33 1HG LYS 33 -2.411 11.979 -11.910 209 HG3 LYS 33 2HG LYS 33 -3.425 13.014 -12.917 210 HD2 LYS 33 1HD LYS 33 -4.645 13.799 -11.053 211 HD3 LYS 33 2HD LYS 33 -4.006 12.530 -10.005 212 HE2 LYS 33 1HE LYS 33 -2.951 14.682 -9.538 213 HE3 LYS 33 2HE LYS 33 -1.780 13.518 -10.155 214 HZ1 LYS 33 1HZ LYS 33 -1.262 14.964 -11.728 215 HZ2 LYS 33 2HZ LYS 33 -2.439 16.048 -11.183 216 HZ3 LYS 33 3HZ LYS 33 -2.837 14.881 -12.341 217 H GLU 34 H GLU 34 -4.293 8.292 -13.310 218 HA GLU 34 HA GLU 34 -6.937 7.597 -13.257 219 HB2 GLU 34 1HB GLU 34 -5.072 6.837 -14.859 220 HB3 GLU 34 2HB GLU 34 -4.802 5.527 -13.718 221 HG2 GLU 34 1HG GLU 34 -6.209 4.603 -15.314 222 HG3 GLU 34 2HG GLU 34 -7.291 5.020 -13.987 223 H GLY 35 H GLY 35 -4.315 6.059 -11.405 224 HA2 GLY 35 1HA GLY 35 -5.955 4.161 -10.101 225 HA3 GLY 35 2HA GLY 35 -4.364 4.684 -9.567 226 H ASN 36 H ASN 36 -4.531 7.162 -8.793 227 HA ASN 36 HA ASN 36 -5.718 7.161 -6.321 228 HB2 ASN 36 1HB ASN 36 -5.102 9.503 -8.130 229 HB3 ASN 36 2HB ASN 36 -5.568 9.674 -6.440 230 HD21 ASN 36 1HD2 ASN 36 -3.059 8.920 -8.641 231 HD22 ASN 36 2HD2 ASN 36 -1.805 8.678 -7.477 232 H GLU 37 H GLU 37 -6.996 8.968 -9.123 233 HA GLU 37 HA GLU 37 -9.356 9.855 -8.171 234 HB2 GLU 37 1HB GLU 37 -8.823 8.613 -10.871 235 HB3 GLU 37 2HB GLU 37 -10.304 9.476 -10.480 236 HG2 GLU 37 1HG GLU 37 -8.752 11.417 -9.828 237 HG3 GLU 37 2HG GLU 37 -7.520 10.539 -10.732 238 H LEU 38 H LEU 38 -8.656 6.540 -9.144 239 HA LEU 38 HA LEU 38 -11.334 5.605 -8.802 240 HB2 LEU 38 1HB LEU 38 -8.683 4.202 -9.032 241 HB3 LEU 38 2HB LEU 38 -10.207 3.339 -8.839 242 HG LEU 38 HG LEU 38 -9.653 5.216 -11.129 243 HD11 LEU 38 1HD1 LEU 38 -8.027 3.392 -11.164 244 HD12 LEU 38 2HD1 LEU 38 -9.197 3.238 -12.475 245 HD13 LEU 38 3HD1 LEU 38 -9.338 2.218 -11.044 246 HD21 LEU 38 1HD2 LEU 38 -11.649 4.561 -11.992 247 HD22 LEU 38 2HD2 LEU 38 -12.027 4.366 -10.280 248 HD23 LEU 38 3HD2 LEU 38 -11.575 2.963 -11.250 249 H PHE 39 H PHE 39 -8.446 5.698 -6.786 250 HA PHE 39 HA PHE 39 -9.483 4.108 -4.679 251 HB2 PHE 39 1HB PHE 39 -7.032 4.747 -5.163 252 HB3 PHE 39 2HB PHE 39 -7.395 6.246 -4.314 253 HD1 PHE 39 1HD PHE 39 -7.423 2.556 -3.931 254 HD2 PHE 39 2HD PHE 39 -7.309 6.343 -1.990 255 HE1 PHE 39 1HE PHE 39 -6.985 1.439 -1.783 256 HE2 PHE 39 2HE PHE 39 -6.869 5.231 0.160 257 HZ PHE 39 HZ PHE 39 -6.706 2.776 0.266 258 H LYS 40 H LYS 40 -9.104 7.635 -5.017 259 HA LYS 40 HA LYS 40 -10.450 8.258 -2.604 260 HB2 LYS 40 1HB LYS 40 -10.543 10.566 -3.527 261 HB3 LYS 40 2HB LYS 40 -8.934 9.858 -3.580 262 HG2 LYS 40 1HG LYS 40 -9.544 9.202 -5.996 263 HG3 LYS 40 2HG LYS 40 -10.828 10.401 -5.830 264 HD2 LYS 40 1HD LYS 40 -8.012 11.108 -5.108 265 HD3 LYS 40 2HD LYS 40 -8.518 11.108 -6.799 266 HE2 LYS 40 1HE LYS 40 -10.436 12.598 -6.078 267 HE3 LYS 40 2HE LYS 40 -9.608 12.759 -4.530 268 HZ1 LYS 40 1HZ LYS 40 -8.344 13.417 -7.131 269 HZ2 LYS 40 2HZ LYS 40 -7.760 13.773 -5.584 270 HZ3 LYS 40 3HZ LYS 40 -9.140 14.559 -6.168 271 H CYS 41 H CYS 41 -11.639 6.917 -5.365 272 HA CYS 41 HA CYS 41 -14.275 8.189 -5.062 273 HB2 CYS 41 1HB CYS 41 -13.261 8.317 -7.324 274 HB3 CYS 41 2HB CYS 41 -13.229 6.559 -7.386 275 HG CYS 41 HG CYS 41 -15.572 6.302 -8.383 276 H GLY 42 H GLY 42 -12.533 5.412 -4.341 277 HA2 GLY 42 1HA GLY 42 -13.542 3.743 -2.928 278 HA3 GLY 42 2HA GLY 42 -15.041 3.957 -3.821 279 H ASP 43 H ASP 43 -13.692 3.936 -6.422 280 HA ASP 43 HA ASP 43 -13.913 1.218 -7.027 281 HB2 ASP 43 1HB ASP 43 -12.879 3.621 -8.447 282 HB3 ASP 43 2HB ASP 43 -12.441 2.044 -9.098 283 H TYR 44 H TYR 44 -12.671 -0.153 -5.835 284 HA TYR 44 HA TYR 44 -9.823 0.314 -5.545 285 HB2 TYR 44 1HB TYR 44 -11.420 -2.095 -4.660 286 HB3 TYR 44 2HB TYR 44 -9.822 -1.613 -4.100 287 HD1 TYR 44 1HD TYR 44 -9.864 1.003 -3.244 288 HD2 TYR 44 2HD TYR 44 -13.106 -1.751 -3.138 289 HE1 TYR 44 1HE TYR 44 -10.889 2.289 -1.415 290 HE2 TYR 44 2HE TYR 44 -14.140 -0.472 -1.309 291 HH TYR 44 HH TYR 44 -14.100 1.757 -0.369 292 H GLY 45 H GLY 45 -11.933 -2.144 -7.022 293 HA2 GLY 45 1HA GLY 45 -10.091 -3.888 -8.046 294 HA3 GLY 45 2HA GLY 45 -11.586 -3.473 -8.872 295 H GLY 46 H GLY 46 -10.911 -0.699 -9.302 296 HA2 GLY 46 1HA GLY 46 -9.242 -1.075 -11.650 297 HA3 GLY 46 2HA GLY 46 -10.158 0.368 -11.239 298 H ALA 47 H ALA 47 -9.260 1.207 -8.907 299 HA ALA 47 HA ALA 47 -7.036 2.651 -9.304 300 HB1 ALA 47 1HB ALA 47 -7.527 3.289 -7.239 301 HB2 ALA 47 2HB ALA 47 -8.533 1.857 -7.019 302 HB3 ALA 47 3HB ALA 47 -6.817 1.801 -6.613 303 H LEU 48 H LEU 48 -7.000 -0.611 -7.869 304 HA LEU 48 HA LEU 48 -4.253 -0.858 -7.531 305 HB2 LEU 48 1HB LEU 48 -5.801 -2.436 -6.571 306 HB3 LEU 48 2HB LEU 48 -6.315 -2.960 -8.173 307 HG LEU 48 HG LEU 48 -4.838 -4.579 -7.021 308 HD11 LEU 48 1HD1 LEU 48 -3.182 -3.697 -9.287 309 HD12 LEU 48 2HD1 LEU 48 -4.897 -3.916 -9.632 310 HD13 LEU 48 3HD1 LEU 48 -3.953 -5.253 -8.976 311 HD21 LEU 48 1HD2 LEU 48 -3.411 -2.393 -6.232 312 HD22 LEU 48 2HD2 LEU 48 -2.412 -3.027 -7.540 313 HD23 LEU 48 3HD2 LEU 48 -2.832 -4.058 -6.172 314 H ALA 49 H ALA 49 -6.237 -1.911 -10.296 315 HA ALA 49 HA ALA 49 -4.260 -2.960 -11.904 316 HB1 ALA 49 1HB ALA 49 -6.402 -3.283 -12.705 317 HB2 ALA 49 2HB ALA 49 -6.845 -1.587 -12.507 318 HB3 ALA 49 3HB ALA 49 -5.772 -2.071 -13.820 319 H ALA 50 H ALA 50 -5.401 0.417 -11.852 320 HA ALA 50 HA ALA 50 -3.688 1.447 -13.779 321 HB1 ALA 50 1HB ALA 50 -4.789 3.310 -13.295 322 HB2 ALA 50 2HB ALA 50 -5.548 2.475 -11.940 323 HB3 ALA 50 3HB ALA 50 -4.052 3.375 -11.695 324 H TYR 51 H TYR 51 -3.198 1.215 -10.263 325 HA TYR 51 HA TYR 51 -0.714 2.450 -10.113 326 HB2 TYR 51 1HB TYR 51 -1.963 0.265 -8.455 327 HB3 TYR 51 2HB TYR 51 -0.390 0.952 -8.066 328 HD1 TYR 51 1HD TYR 51 -0.791 3.799 -8.624 329 HD2 TYR 51 2HD TYR 51 -3.401 0.990 -6.780 330 HE1 TYR 51 1HE TYR 51 -1.890 5.631 -7.404 331 HE2 TYR 51 2HE TYR 51 -4.508 2.814 -5.556 332 HH TYR 51 HH TYR 51 -4.740 5.057 -5.406 333 H THR 52 H THR 52 -1.514 -0.936 -10.762 334 HA THR 52 HA THR 52 1.024 -2.042 -10.730 335 HB THR 52 HB THR 52 -1.320 -2.745 -12.503 336 HG1 THR 52 1HG THR 52 -1.186 -2.955 -9.998 337 HG21 THR 52 1HG2 THR 52 0.739 -3.600 -13.490 338 HG22 THR 52 2HG2 THR 52 -0.212 -4.921 -12.808 339 HG23 THR 52 3HG2 THR 52 1.200 -4.313 -11.944 340 H GLN 53 H GLN 53 -0.654 -0.406 -13.389 341 HA GLN 53 HA GLN 53 1.182 -0.854 -15.420 342 HB2 GLN 53 1HB GLN 53 -0.322 1.734 -15.053 343 HB3 GLN 53 2HB GLN 53 0.202 0.997 -16.562 344 HG2 GLN 53 1HG GLN 53 -1.361 -0.881 -16.118 345 HG3 GLN 53 2HG GLN 53 -1.953 0.005 -14.713 346 HE21 GLN 53 1HE2 GLN 53 -1.077 1.075 -17.973 347 HE22 GLN 53 2HE2 GLN 53 -2.614 1.770 -18.346 348 H ALA 54 H ALA 54 1.042 1.892 -13.156 349 HA ALA 54 HA ALA 54 3.193 3.356 -14.021 350 HB1 ALA 54 1HB ALA 54 2.741 4.566 -12.214 351 HB2 ALA 54 2HB ALA 54 1.558 3.338 -11.762 352 HB3 ALA 54 3HB ALA 54 3.206 3.245 -11.142 353 H LEU 55 H LEU 55 3.383 0.973 -11.367 354 HA LEU 55 HA LEU 55 6.117 0.913 -11.073 355 HB2 LEU 55 1HB LEU 55 4.069 -1.262 -10.742 356 HB3 LEU 55 2HB LEU 55 5.764 -1.483 -10.312 357 HG LEU 55 HG LEU 55 4.102 0.716 -9.116 358 HD11 LEU 55 1HD1 LEU 55 3.763 -2.098 -8.731 359 HD12 LEU 55 2HD1 LEU 55 2.907 -0.757 -7.971 360 HD13 LEU 55 3HD1 LEU 55 4.397 -1.370 -7.255 361 HD21 LEU 55 1HD2 LEU 55 6.633 -0.702 -8.294 362 HD22 LEU 55 2HD2 LEU 55 5.777 0.478 -7.300 363 HD23 LEU 55 3HD2 LEU 55 6.477 0.967 -8.844 364 H GLY 56 H GLY 56 4.125 -0.874 -13.384 365 HA2 GLY 56 1HA GLY 56 6.023 -2.610 -14.423 366 HA3 GLY 56 2HA GLY 56 4.681 -1.941 -15.339 367 H LEU 57 H LEU 57 5.401 0.765 -15.309 368 HA LEU 57 HA LEU 57 7.385 0.761 -17.384 369 HB2 LEU 57 1HB LEU 57 6.076 3.117 -16.038 370 HB3 LEU 57 2HB LEU 57 6.919 3.117 -17.585 371 HG LEU 57 HG LEU 57 4.318 1.701 -17.007 372 HD11 LEU 57 1HD1 LEU 57 3.765 3.957 -17.047 373 HD12 LEU 57 2HD1 LEU 57 3.523 3.452 -18.719 374 HD13 LEU 57 3HD1 LEU 57 4.981 4.336 -18.267 375 HD21 LEU 57 1HD2 LEU 57 5.011 0.458 -18.751 376 HD22 LEU 57 2HD2 LEU 57 6.215 1.644 -19.256 377 HD23 LEU 57 3HD2 LEU 57 4.521 1.864 -19.696 378 H ASP 58 H ASP 58 9.455 1.491 -17.322 379 HA ASP 58 HA ASP 58 10.851 1.446 -14.882 380 HB2 ASP 58 1HB ASP 58 11.947 0.904 -16.987 381 HB3 ASP 58 2HB ASP 58 11.688 2.545 -17.573 382 H ALA 59 H ALA 59 9.620 2.962 -13.600 383 HA ALA 59 HA ALA 59 9.935 5.786 -14.268 384 HB1 ALA 59 1HB ALA 59 7.762 4.784 -13.418 385 HB2 ALA 59 2HB ALA 59 8.549 4.679 -11.843 386 HB3 ALA 59 3HB ALA 59 8.327 6.249 -12.615 387 H THR 60 H THR 60 10.325 7.175 -12.155 388 HA THR 60 HA THR 60 13.013 6.691 -11.391 389 HB THR 60 HB THR 60 12.431 8.589 -9.672 390 HG1 THR 60 1HG THR 60 10.595 9.762 -10.281 391 HG21 THR 60 1HG2 THR 60 12.641 8.778 -12.654 392 HG22 THR 60 2HG2 THR 60 13.833 9.192 -11.422 393 HG23 THR 60 3HG2 THR 60 12.437 10.237 -11.686 394 HA PRO 61 HA PRO 61 12.649 4.303 -7.726 395 HB2 PRO 61 1HB PRO 61 14.626 5.348 -6.188 396 HB3 PRO 61 2HB PRO 61 14.943 4.339 -7.604 397 HG2 PRO 61 1HG PRO 61 15.012 7.321 -7.349 398 HG3 PRO 61 2HG PRO 61 16.144 6.243 -8.186 399 HD2 PRO 61 1HD PRO 61 14.231 7.645 -9.493 400 HD3 PRO 61 2HD PRO 61 14.786 6.050 -10.039 401 H GLN 62 H GLN 62 12.209 7.708 -7.631 402 HA GLN 62 HA GLN 62 11.434 7.774 -4.838 403 HB2 GLN 62 1HB GLN 62 12.580 9.659 -6.254 404 HB3 GLN 62 2HB GLN 62 10.932 10.022 -6.751 405 HG2 GLN 62 1HG GLN 62 11.899 9.930 -3.903 406 HG3 GLN 62 2HG GLN 62 11.691 11.395 -4.862 407 HE21 GLN 62 1HE2 GLN 62 9.558 11.963 -5.536 408 HE22 GLN 62 2HE2 GLN 62 8.187 11.446 -4.621 409 H ASP 63 H ASP 63 9.930 7.676 -7.996 410 HA ASP 63 HA ASP 63 7.284 8.231 -7.028 411 HB2 ASP 63 1HB ASP 63 8.493 7.466 -9.645 412 HB3 ASP 63 2HB ASP 63 6.771 7.174 -9.415 413 H GLN 64 H GLN 64 9.124 5.342 -7.881 414 HA GLN 64 HA GLN 64 7.085 3.454 -7.762 415 HB2 GLN 64 1HB GLN 64 10.019 3.241 -7.094 416 HB3 GLN 64 2HB GLN 64 8.943 1.850 -7.113 417 HG2 GLN 64 1HG GLN 64 8.522 2.109 -9.440 418 HG3 GLN 64 2HG GLN 64 9.350 3.666 -9.473 419 HE21 GLN 64 1HE2 GLN 64 11.250 3.559 -10.403 420 HE22 GLN 64 2HE2 GLN 64 12.350 2.228 -10.340 421 H ALA 65 H ALA 65 9.299 4.465 -5.158 422 HA ALA 65 HA ALA 65 8.417 2.925 -3.090 423 HB1 ALA 65 1HB ALA 65 9.083 5.856 -2.856 424 HB2 ALA 65 2HB ALA 65 9.184 4.641 -1.581 425 HB3 ALA 65 3HB ALA 65 10.272 4.557 -2.967 426 H VAL 66 H VAL 66 6.993 6.010 -4.144 427 HA VAL 66 HA VAL 66 4.962 6.126 -2.209 428 HB VAL 66 HB VAL 66 4.804 7.234 -5.012 429 HG11 VAL 66 1HG1 VAL 66 2.930 8.250 -4.376 430 HG12 VAL 66 2HG1 VAL 66 2.950 7.230 -2.937 431 HG13 VAL 66 3HG1 VAL 66 3.677 8.836 -2.890 432 HG21 VAL 66 1HG2 VAL 66 6.536 7.937 -2.777 433 HG22 VAL 66 2HG2 VAL 66 6.629 8.410 -4.473 434 HG23 VAL 66 3HG2 VAL 66 5.580 9.296 -3.367 435 H LEU 67 H LEU 67 5.145 4.510 -5.320 436 HA LEU 67 HA LEU 67 2.369 3.840 -5.444 437 HB2 LEU 67 1HB LEU 67 4.758 2.702 -6.885 438 HB3 LEU 67 2HB LEU 67 3.083 2.293 -7.248 439 HG LEU 67 HG LEU 67 3.942 5.149 -7.371 440 HD11 LEU 67 1HD1 LEU 67 5.602 4.511 -8.772 441 HD12 LEU 67 2HD1 LEU 67 4.270 4.453 -9.926 442 HD13 LEU 67 3HD1 LEU 67 4.837 2.970 -9.160 443 HD21 LEU 67 1HD2 LEU 67 2.198 5.306 -8.995 444 HD22 LEU 67 2HD2 LEU 67 1.564 4.422 -7.606 445 HD23 LEU 67 3HD2 LEU 67 2.032 3.552 -9.068 446 H HIS 68 H HIS 68 5.256 2.304 -4.183 447 HA HIS 68 HA HIS 68 4.248 -0.292 -3.836 448 HB2 HIS 68 1HB HIS 68 6.472 1.290 -2.630 449 HB3 HIS 68 2HB HIS 68 5.998 -0.212 -1.842 450 HD1 HIS 68 1HD HIS 68 5.774 -2.269 -3.812 451 HD2 HIS 68 2HD HIS 68 8.461 0.847 -4.388 452 HE1 HIS 68 1HE HIS 68 7.454 -3.128 -5.474 453 HE2 HIS 68 2HE HIS 68 9.118 -1.256 -5.742 454 H ARG 69 H ARG 69 4.039 2.590 -1.824 455 HA ARG 69 HA ARG 69 2.767 1.191 0.354 456 HB2 ARG 69 1HB ARG 69 2.457 3.507 1.276 457 HB3 ARG 69 2HB ARG 69 4.126 3.065 0.942 458 HG2 ARG 69 1HG ARG 69 4.170 4.398 -1.026 459 HG3 ARG 69 2HG ARG 69 2.428 4.666 -0.953 460 HD2 ARG 69 1HD ARG 69 2.959 5.693 1.379 461 HD3 ARG 69 2HD ARG 69 4.599 5.823 0.745 462 HE ARG 69 HE ARG 69 2.650 6.902 -1.043 463 HH11 ARG 69 2HH1 ARG 69 4.534 7.567 1.808 464 HH12 ARG 69 1HH1 ARG 69 4.509 9.285 1.583 465 HH21 ARG 69 2HH2 ARG 69 2.609 9.162 -1.350 466 HH22 ARG 69 1HH2 ARG 69 3.412 10.191 -0.213 467 H ASN 70 H ASN 70 1.787 2.830 -2.521 468 HA ASN 70 HA ASN 70 -0.909 3.346 -1.673 469 HB2 ASN 70 1HB ASN 70 0.412 3.401 -4.391 470 HB3 ASN 70 2HB ASN 70 -1.272 3.837 -4.117 471 HD21 ASN 70 1HD2 ASN 70 0.360 5.652 -5.242 472 HD22 ASN 70 2HD2 ASN 70 0.709 6.928 -4.131 473 H ARG 71 H ARG 71 0.630 1.006 -3.868 474 HA ARG 71 HA ARG 71 -1.576 -0.391 -4.718 475 HB2 ARG 71 1HB ARG 71 1.244 -1.241 -4.141 476 HB3 ARG 71 2HB ARG 71 0.052 -2.422 -4.666 477 HG2 ARG 71 1HG ARG 71 0.395 0.080 -6.243 478 HG3 ARG 71 2HG ARG 71 1.591 -1.208 -6.394 479 HD2 ARG 71 1HD ARG 71 -1.378 -1.444 -6.864 480 HD3 ARG 71 2HD ARG 71 -0.118 -1.447 -8.097 481 HE ARG 71 HE ARG 71 -0.912 -3.644 -6.421 482 HH11 ARG 71 2HH1 ARG 71 1.657 -2.282 -8.335 483 HH12 ARG 71 1HH1 ARG 71 2.432 -3.806 -8.616 484 HH21 ARG 71 2HH2 ARG 71 0.099 -5.656 -6.784 485 HH22 ARG 71 1HH2 ARG 71 1.544 -5.725 -7.734 486 H ALA 72 H ALA 72 0.410 -1.206 -1.866 487 HA ALA 72 HA ALA 72 -0.882 -3.336 -0.841 488 HB1 ALA 72 1HB ALA 72 1.063 -2.058 0.161 489 HB2 ALA 72 2HB ALA 72 -0.141 -1.024 0.932 490 HB3 ALA 72 3HB ALA 72 -0.093 -2.748 1.301 491 H ALA 73 H ALA 73 -1.904 0.037 -0.346 492 HA ALA 73 HA ALA 73 -4.047 -0.258 1.301 493 HB1 ALA 73 1HB ALA 73 -4.840 1.789 0.537 494 HB2 ALA 73 2HB ALA 73 -3.120 1.853 0.149 495 HB3 ALA 73 3HB ALA 73 -4.296 1.495 -1.115 496 H CYS 74 H CYS 74 -4.446 -0.167 -2.245 497 HA CYS 74 HA CYS 74 -7.021 -0.905 -2.511 498 HB2 CYS 74 1HB CYS 74 -4.767 -2.055 -4.170 499 HB3 CYS 74 2HB CYS 74 -6.454 -1.936 -4.655 500 HG CYS 74 HG CYS 74 -4.040 0.342 -4.807 501 H HIS 75 H HIS 75 -4.337 -3.219 -2.156 502 HA HIS 75 HA HIS 75 -5.805 -5.568 -2.211 503 HB2 HIS 75 1HB HIS 75 -3.221 -4.791 -0.904 504 HB3 HIS 75 2HB HIS 75 -3.904 -6.387 -0.606 505 HD1 HIS 75 1HD HIS 75 -4.960 -6.873 -3.528 506 HD2 HIS 75 2HD HIS 75 -1.142 -5.579 -2.519 507 HE1 HIS 75 1HE HIS 75 -3.498 -7.512 -5.472 508 HE2 HIS 75 2HE HIS 75 -1.178 -6.795 -4.802 509 H LEU 76 H LEU 76 -4.853 -3.673 0.654 510 HA LEU 76 HA LEU 76 -6.008 -5.178 2.632 511 HB2 LEU 76 1HB LEU 76 -5.919 -2.173 2.423 512 HB3 LEU 76 2HB LEU 76 -6.264 -3.070 3.900 513 HG LEU 76 HG LEU 76 -3.679 -3.425 2.414 514 HD11 LEU 76 1HD1 LEU 76 -2.740 -1.580 3.305 515 HD12 LEU 76 2HD1 LEU 76 -3.723 -1.652 4.767 516 HD13 LEU 76 3HD1 LEU 76 -4.401 -0.985 3.282 517 HD21 LEU 76 1HD2 LEU 76 -2.908 -4.056 4.691 518 HD22 LEU 76 2HD2 LEU 76 -4.156 -5.120 4.043 519 HD23 LEU 76 3HD2 LEU 76 -4.573 -3.905 5.252 520 H LYS 77 H LYS 77 -7.576 -2.703 0.631 521 HA LYS 77 HA LYS 77 -10.119 -2.920 1.869 522 HB2 LYS 77 1HB LYS 77 -9.495 -1.973 -0.933 523 HB3 LYS 77 2HB LYS 77 -10.945 -1.618 -0.004 524 HG2 LYS 77 1HG LYS 77 -8.176 -0.765 0.808 525 HG3 LYS 77 2HG LYS 77 -9.300 0.244 -0.107 526 HD2 LYS 77 1HD LYS 77 -10.187 -0.980 2.469 527 HD3 LYS 77 2HD LYS 77 -9.151 0.449 2.500 528 HE2 LYS 77 1HE LYS 77 -10.743 1.743 1.324 529 HE3 LYS 77 2HE LYS 77 -11.683 0.319 0.882 530 HZ1 LYS 77 1HZ LYS 77 -11.342 0.780 3.728 531 HZ2 LYS 77 2HZ LYS 77 -12.707 0.269 2.869 532 HZ3 LYS 77 3HZ LYS 77 -12.302 1.911 2.915 533 H LEU 78 H LEU 78 -8.604 -4.530 -0.867 534 HA LEU 78 HA LEU 78 -11.047 -5.989 -1.480 535 HB2 LEU 78 1HB LEU 78 -8.307 -6.098 -2.731 536 HB3 LEU 78 2HB LEU 78 -9.723 -6.973 -3.310 537 HG LEU 78 HG LEU 78 -9.778 -3.987 -3.120 538 HD11 LEU 78 1HD1 LEU 78 -7.872 -5.371 -4.629 539 HD12 LEU 78 2HD1 LEU 78 -8.332 -3.675 -4.772 540 HD13 LEU 78 3HD1 LEU 78 -9.131 -4.892 -5.767 541 HD21 LEU 78 1HD2 LEU 78 -11.064 -5.863 -5.091 542 HD22 LEU 78 2HD2 LEU 78 -11.449 -4.167 -4.795 543 HD23 LEU 78 3HD2 LEU 78 -11.821 -5.384 -3.572 544 H GLU 79 H GLU 79 -10.032 -6.484 1.085 545 HA GLU 79 HA GLU 79 -9.187 -8.118 2.471 546 HB2 GLU 79 1HB GLU 79 -11.498 -8.858 1.496 547 HB3 GLU 79 2HB GLU 79 -10.547 -10.069 0.648 548 HG2 GLU 79 1HG GLU 79 -9.584 -10.565 3.017 549 HG3 GLU 79 2HG GLU 79 -11.054 -9.763 3.567 550 H ASP 80 H ASP 80 -7.157 -7.461 0.851 551 HA ASP 80 HA ASP 80 -5.978 -10.062 0.122 552 HB2 ASP 80 1HB ASP 80 -5.739 -7.391 -1.254 553 HB3 ASP 80 2HB ASP 80 -4.555 -8.672 -1.501 554 H TYR 81 H TYR 81 -5.922 -8.535 2.658 555 HA TYR 81 HA TYR 81 -3.704 -7.098 3.230 556 HB2 TYR 81 1HB TYR 81 -4.631 -9.414 4.936 557 HB3 TYR 81 2HB TYR 81 -3.780 -7.972 5.478 558 HD1 TYR 81 1HD TYR 81 -7.000 -9.314 4.334 559 HD2 TYR 81 2HD TYR 81 -4.947 -5.878 5.777 560 HE1 TYR 81 1HE TYR 81 -9.156 -8.209 4.753 561 HE2 TYR 81 2HE TYR 81 -7.098 -4.764 6.202 562 HH TYR 81 HH TYR 81 -9.849 -6.145 6.546 563 H ASP 82 H ASP 82 -3.825 -10.637 2.966 564 HA ASP 82 HA ASP 82 -1.380 -11.457 3.691 565 HB2 ASP 82 1HB ASP 82 -3.176 -12.839 2.570 566 HB3 ASP 82 2HB ASP 82 -2.549 -12.267 1.026 567 H LYS 83 H LYS 83 -2.023 -10.251 0.394 568 HA LYS 83 HA LYS 83 0.725 -10.113 -0.306 569 HB2 LYS 83 1HB LYS 83 -1.739 -8.874 -1.536 570 HB3 LYS 83 2HB LYS 83 -0.134 -8.732 -2.240 571 HG2 LYS 83 1HG LYS 83 -0.013 -11.030 -2.702 572 HG3 LYS 83 2HG LYS 83 -1.377 -11.397 -1.643 573 HD2 LYS 83 1HD LYS 83 -2.797 -10.002 -3.207 574 HD3 LYS 83 2HD LYS 83 -1.421 -10.006 -4.313 575 HE2 LYS 83 1HE LYS 83 -1.589 -12.277 -4.718 576 HE3 LYS 83 2HE LYS 83 -2.451 -12.586 -3.212 577 HZ1 LYS 83 1HZ LYS 83 -3.692 -12.586 -5.496 578 HZ2 LYS 83 2HZ LYS 83 -3.742 -10.915 -5.244 579 HZ3 LYS 83 3HZ LYS 83 -4.436 -11.961 -4.111 580 H ALA 84 H ALA 84 -1.640 -7.676 0.722 581 HA ALA 84 HA ALA 84 -0.373 -5.329 0.429 582 HB1 ALA 84 1HB ALA 84 -1.542 -4.481 2.297 583 HB2 ALA 84 2HB ALA 84 -2.550 -5.770 1.638 584 HB3 ALA 84 3HB ALA 84 -1.583 -6.059 3.084 585 H GLU 85 H GLU 85 0.184 -7.436 3.258 586 HA GLU 85 HA GLU 85 2.100 -6.073 4.594 587 HB2 GLU 85 1HB GLU 85 1.176 -8.341 5.175 588 HB3 GLU 85 2HB GLU 85 2.317 -9.032 4.030 589 HG2 GLU 85 1HG GLU 85 3.094 -9.162 6.356 590 HG3 GLU 85 2HG GLU 85 4.178 -8.232 5.323 591 H THR 86 H THR 86 2.962 -8.532 2.156 592 HA THR 86 HA THR 86 5.640 -8.065 1.949 593 HB THR 86 HB THR 86 3.795 -8.649 -0.376 594 HG1 THR 86 1HG THR 86 5.279 -10.526 1.148 595 HG21 THR 86 1HG2 THR 86 6.702 -8.428 -0.128 596 HG22 THR 86 2HG2 THR 86 5.685 -8.425 -1.569 597 HG23 THR 86 3HG2 THR 86 6.164 -9.953 -0.830 598 H GLU 87 H GLU 87 3.190 -6.526 -0.147 599 HA GLU 87 HA GLU 87 4.827 -4.804 -1.529 600 HB2 GLU 87 1HB GLU 87 2.014 -4.283 -0.552 601 HB3 GLU 87 2HB GLU 87 2.835 -3.352 -1.797 602 HG2 GLU 87 1HG GLU 87 2.401 -6.311 -2.031 603 HG3 GLU 87 2HG GLU 87 1.207 -5.131 -2.569 604 H ALA 88 H ALA 88 2.956 -3.906 1.376 605 HA ALA 88 HA ALA 88 3.738 -1.417 1.904 606 HB1 ALA 88 1HB ALA 88 4.140 -2.658 4.382 607 HB2 ALA 88 2HB ALA 88 2.653 -1.933 3.771 608 HB3 ALA 88 3HB ALA 88 2.959 -3.653 3.530 609 H SER 89 H SER 89 5.703 -4.195 2.989 610 HA SER 89 HA SER 89 7.876 -2.833 3.973 611 HB2 SER 89 1HB SER 89 7.588 -5.278 4.148 612 HB3 SER 89 2HB SER 89 7.946 -5.438 2.429 613 HG SER 89 HG SER 89 9.837 -5.803 3.513 614 H LYS 90 H LYS 90 7.366 -3.911 0.624 615 HA LYS 90 HA LYS 90 9.735 -3.103 -0.516 616 HB2 LYS 90 1HB LYS 90 6.971 -2.898 -1.727 617 HB3 LYS 90 2HB LYS 90 8.482 -2.867 -2.627 618 HG2 LYS 90 1HG LYS 90 8.931 -5.160 -1.573 619 HG3 LYS 90 2HG LYS 90 7.212 -5.154 -1.170 620 HD2 LYS 90 1HD LYS 90 6.816 -4.633 -3.641 621 HD3 LYS 90 2HD LYS 90 8.502 -5.096 -3.885 622 HE2 LYS 90 1HE LYS 90 7.940 -7.266 -2.720 623 HE3 LYS 90 2HE LYS 90 6.246 -6.791 -2.835 624 HZ1 LYS 90 1HZ LYS 90 7.427 -6.484 -5.356 625 HZ2 LYS 90 2HZ LYS 90 6.206 -7.560 -4.895 626 HZ3 LYS 90 3HZ LYS 90 7.829 -8.023 -4.781 627 H ALA 91 H ALA 91 6.848 -1.146 0.116 628 HA ALA 91 HA ALA 91 7.857 1.232 -1.058 629 HB1 ALA 91 1HB ALA 91 5.473 0.403 0.334 630 HB2 ALA 91 2HB ALA 91 6.004 1.994 0.880 631 HB3 ALA 91 3HB ALA 91 5.698 1.706 -0.833 632 H ILE 92 H ILE 92 8.531 -0.356 1.878 633 HA ILE 92 HA ILE 92 9.399 2.053 3.259 634 HB ILE 92 HB ILE 92 9.505 -0.852 4.077 635 HG12 ILE 92 1HG1 ILE 92 7.838 1.377 5.243 636 HG13 ILE 92 2HG1 ILE 92 7.260 0.348 3.937 637 HG21 ILE 92 1HG2 ILE 92 9.803 0.792 6.321 638 HG22 ILE 92 2HG2 ILE 92 11.013 -0.265 5.596 639 HG23 ILE 92 3HG2 ILE 92 10.917 1.427 5.110 640 HD11 ILE 92 1HD1 ILE 92 7.878 -1.588 5.552 641 HD12 ILE 92 2HD1 ILE 92 7.792 -0.331 6.787 642 HD13 ILE 92 3HD1 ILE 92 6.383 -0.684 5.788 643 H GLU 93 H GLU 93 10.980 -1.078 2.592 644 HA GLU 93 HA GLU 93 13.568 -0.447 3.059 645 HB2 GLU 93 1HB GLU 93 14.112 -2.022 1.093 646 HB3 GLU 93 2HB GLU 93 13.171 -2.662 2.433 647 HG2 GLU 93 1HG GLU 93 11.894 -3.447 0.753 648 HG3 GLU 93 2HG GLU 93 11.167 -1.846 0.880 649 H LYS 94 H LYS 94 11.846 0.167 0.013 650 HA LYS 94 HA LYS 94 13.718 1.129 -1.643 651 HB2 LYS 94 1HB LYS 94 10.947 2.076 -1.058 652 HB3 LYS 94 2HB LYS 94 11.943 3.025 -2.153 653 HG2 LYS 94 1HG LYS 94 11.629 0.083 -2.571 654 HG3 LYS 94 2HG LYS 94 10.377 1.205 -3.108 655 HD2 LYS 94 1HD LYS 94 12.351 2.473 -4.221 656 HD3 LYS 94 2HD LYS 94 13.211 0.943 -4.036 657 HE2 LYS 94 1HE LYS 94 11.067 -0.060 -5.138 658 HE3 LYS 94 2HE LYS 94 10.817 1.591 -5.703 659 HZ1 LYS 94 1HZ LYS 94 12.070 0.105 -7.252 660 HZ2 LYS 94 2HZ LYS 94 13.341 0.098 -6.136 661 HZ3 LYS 94 3HZ LYS 94 12.861 1.549 -6.862 662 H ASP 95 H ASP 95 12.231 3.093 0.931 663 HA ASP 95 HA ASP 95 14.478 4.977 0.681 664 HB2 ASP 95 1HB ASP 95 12.561 6.256 0.368 665 HB3 ASP 95 2HB ASP 95 11.621 5.313 1.522 666 H GLY 96 H GLY 96 12.257 3.871 3.253 667 HA2 GLY 96 1HA GLY 96 13.350 2.544 5.076 668 HA3 GLY 96 2HA GLY 96 14.598 3.781 5.056 669 H GLY 97 H GLY 97 13.229 6.107 4.988 670 HA2 GLY 97 1HA GLY 97 11.960 6.097 7.625 671 HA3 GLY 97 2HA GLY 97 12.578 7.507 6.778 672 H ASP 98 H ASP 98 10.285 4.981 5.774 673 HA ASP 98 HA ASP 98 8.335 7.121 5.230 674 HB2 ASP 98 1HB ASP 98 9.347 5.584 3.338 675 HB3 ASP 98 2HB ASP 98 8.143 4.439 3.922 676 H VAL 99 H VAL 99 7.333 7.093 7.238 677 HA VAL 99 HA VAL 99 6.463 4.734 8.545 678 HB VAL 99 HB VAL 99 5.257 6.149 10.043 679 HG11 VAL 99 1HG1 VAL 99 7.865 7.278 9.089 680 HG12 VAL 99 2HG1 VAL 99 7.005 7.987 10.457 681 HG13 VAL 99 3HG1 VAL 99 7.535 6.305 10.522 682 HG21 VAL 99 1HG2 VAL 99 4.105 7.505 8.349 683 HG22 VAL 99 2HG2 VAL 99 4.823 8.502 9.614 684 HG23 VAL 99 3HG2 VAL 99 5.606 8.377 8.039 685 H LYS 100 H LYS 100 4.899 6.987 6.322 686 HA LYS 100 HA LYS 100 2.278 6.344 6.452 687 HB2 LYS 100 1HB LYS 100 4.073 6.969 4.153 688 HB3 LYS 100 2HB LYS 100 2.432 6.440 3.804 689 HG2 LYS 100 1HG LYS 100 2.888 8.644 5.762 690 HG3 LYS 100 2HG LYS 100 2.970 8.972 4.030 691 HD2 LYS 100 1HD LYS 100 0.735 8.449 3.696 692 HD3 LYS 100 2HD LYS 100 0.637 7.485 5.171 693 HE2 LYS 100 1HE LYS 100 -0.527 9.417 5.726 694 HE3 LYS 100 2HE LYS 100 1.079 9.715 6.389 695 HZ1 LYS 100 1HZ LYS 100 1.272 11.503 5.121 696 HZ2 LYS 100 2HZ LYS 100 -0.321 11.292 4.594 697 HZ3 LYS 100 3HZ LYS 100 0.957 10.616 3.715 698 H ALA 101 H ALA 101 4.792 4.403 4.890 699 HA ALA 101 HA ALA 101 2.970 2.382 3.993 700 HB1 ALA 101 1HB ALA 101 5.938 2.039 4.300 701 HB2 ALA 101 2HB ALA 101 4.850 1.249 3.158 702 HB3 ALA 101 3HB ALA 101 5.229 2.961 2.974 703 H LEU 102 H LEU 102 5.044 2.842 6.793 704 HA LEU 102 HA LEU 102 5.019 0.266 7.843 705 HB2 LEU 102 1HB LEU 102 5.311 2.993 8.992 706 HB3 LEU 102 2HB LEU 102 5.072 1.642 10.098 707 HG LEU 102 HG LEU 102 7.271 1.662 8.047 708 HD11 LEU 102 1HD1 LEU 102 8.364 2.182 10.567 709 HD12 LEU 102 2HD1 LEU 102 7.027 3.317 10.383 710 HD13 LEU 102 3HD1 LEU 102 8.310 3.264 9.174 711 HD21 LEU 102 1HD2 LEU 102 6.591 -0.483 9.106 712 HD22 LEU 102 2HD2 LEU 102 7.001 0.210 10.676 713 HD23 LEU 102 3HD2 LEU 102 8.255 -0.013 9.455 714 H TYR 103 H TYR 103 2.812 2.962 8.598 715 HA TYR 103 HA TYR 103 1.121 1.580 10.322 716 HB2 TYR 103 1HB TYR 103 1.078 4.024 10.039 717 HB3 TYR 103 2HB TYR 103 0.403 3.826 8.426 718 HD1 TYR 103 2HD TYR 103 -0.549 1.857 11.412 719 HD2 TYR 103 1HD TYR 103 -1.652 4.965 8.724 720 HE1 TYR 103 2HE TYR 103 -2.817 1.868 12.363 721 HE2 TYR 103 1HE TYR 103 -3.922 4.985 9.669 722 HH TYR 103 HH TYR 103 -5.069 4.344 11.717 723 H ARG 104 H ARG 104 0.976 1.930 6.801 724 HA ARG 104 HA ARG 104 -1.474 0.624 6.400 725 HB2 ARG 104 1HB ARG 104 0.883 1.284 4.710 726 HB3 ARG 104 2HB ARG 104 -0.232 0.069 4.100 727 HG2 ARG 104 1HG ARG 104 -1.293 2.675 5.087 728 HG3 ARG 104 2HG ARG 104 -0.557 2.574 3.486 729 HD2 ARG 104 1HD ARG 104 -2.112 0.713 2.952 730 HD3 ARG 104 2HD ARG 104 -2.895 0.969 4.511 731 HE ARG 104 HE ARG 104 -3.141 2.608 2.143 732 HH11 ARG 104 2HH1 ARG 104 -3.570 2.401 5.592 733 HH12 ARG 104 1HH1 ARG 104 -4.748 3.670 5.653 734 HH21 ARG 104 2HH2 ARG 104 -4.691 4.281 2.211 735 HH22 ARG 104 1HH2 ARG 104 -5.385 4.738 3.729 736 H ARG 105 H ARG 105 1.748 -0.591 6.948 737 HA ARG 105 HA ARG 105 1.255 -3.255 6.068 738 HB2 ARG 105 1HB ARG 105 3.520 -2.143 6.342 739 HB3 ARG 105 2HB ARG 105 3.334 -2.388 8.073 740 HG2 ARG 105 1HG ARG 105 3.340 -4.751 7.823 741 HG3 ARG 105 2HG ARG 105 3.225 -4.623 6.066 742 HD2 ARG 105 1HD ARG 105 5.502 -5.173 6.831 743 HD3 ARG 105 2HD ARG 105 5.431 -3.644 5.957 744 HE ARG 105 HE ARG 105 5.162 -3.062 8.660 745 HH11 ARG 105 2HH1 ARG 105 7.545 -4.423 6.517 746 HH12 ARG 105 1HH1 ARG 105 8.893 -3.881 7.461 747 HH21 ARG 105 2HH2 ARG 105 6.929 -2.343 9.911 748 HH22 ARG 105 1HH2 ARG 105 8.541 -2.699 9.392 749 H SER 106 H SER 106 1.370 -1.733 9.281 750 HA SER 106 HA SER 106 0.886 -3.938 10.860 751 HB2 SER 106 1HB SER 106 -0.122 -2.350 12.492 752 HB3 SER 106 2HB SER 106 1.404 -1.770 11.827 753 HG SER 106 HG SER 106 -1.188 -0.824 11.439 754 H GLN 107 H GLN 107 -1.333 -2.156 8.844 755 HA GLN 107 HA GLN 107 -3.746 -3.129 9.942 756 HB2 GLN 107 1HB GLN 107 -3.111 -2.145 7.156 757 HB3 GLN 107 2HB GLN 107 -4.736 -2.464 7.749 758 HG2 GLN 107 1HG GLN 107 -2.926 -0.556 9.175 759 HG3 GLN 107 2HG GLN 107 -3.857 -0.051 7.766 760 HE21 GLN 107 1HE2 GLN 107 -3.982 0.673 10.660 761 HE22 GLN 107 2HE2 GLN 107 -5.633 0.429 11.105 762 H ALA 108 H ALA 108 -1.480 -4.440 7.631 763 HA ALA 108 HA ALA 108 -3.250 -6.572 6.805 764 HB1 ALA 108 1HB ALA 108 -0.308 -6.540 6.263 765 HB2 ALA 108 2HB ALA 108 -1.623 -7.170 5.270 766 HB3 ALA 108 3HB ALA 108 -1.386 -5.429 5.417 767 H LEU 109 H LEU 109 -0.399 -6.202 8.870 768 HA LEU 109 HA LEU 109 0.061 -8.884 9.462 769 HB2 LEU 109 1HB LEU 109 0.473 -6.411 11.130 770 HB3 LEU 109 2HB LEU 109 1.057 -8.009 11.594 771 HG LEU 109 HG LEU 109 1.878 -6.701 9.015 772 HD11 LEU 109 1HD1 LEU 109 3.505 -5.483 9.997 773 HD12 LEU 109 2HD1 LEU 109 3.719 -6.629 11.320 774 HD13 LEU 109 3HD1 LEU 109 2.375 -5.487 11.352 775 HD21 LEU 109 1HD2 LEU 109 3.744 -8.438 10.409 776 HD22 LEU 109 2HD2 LEU 109 3.183 -8.488 8.738 777 HD23 LEU 109 3HD2 LEU 109 2.228 -9.249 10.012 778 H GLU 110 H GLU 110 -2.138 -6.563 10.974 779 HA GLU 110 HA GLU 110 -2.964 -8.114 13.141 780 HB2 GLU 110 1HB GLU 110 -4.285 -5.928 11.561 781 HB3 GLU 110 2HB GLU 110 -5.149 -6.743 12.857 782 HG2 GLU 110 1HG GLU 110 -3.682 -5.954 14.492 783 HG3 GLU 110 2HG GLU 110 -2.452 -5.521 13.306 784 H LYS 111 H LYS 111 -4.204 -7.966 9.829 785 HA LYS 111 HA LYS 111 -6.297 -9.863 10.310 786 HB2 LYS 111 1HB LYS 111 -5.208 -8.420 7.944 787 HB3 LYS 111 2HB LYS 111 -6.130 -9.888 7.648 788 HG2 LYS 111 1HG LYS 111 -7.234 -7.746 9.414 789 HG3 LYS 111 2HG LYS 111 -7.341 -7.608 7.658 790 HD2 LYS 111 1HD LYS 111 -8.249 -10.088 7.890 791 HD3 LYS 111 2HD LYS 111 -8.676 -9.518 9.506 792 HE2 LYS 111 1HE LYS 111 -10.024 -7.770 8.617 793 HE3 LYS 111 2HE LYS 111 -9.424 -8.053 6.984 794 HZ1 LYS 111 1HZ LYS 111 -10.870 -9.706 6.661 795 HZ2 LYS 111 2HZ LYS 111 -11.711 -9.063 7.980 796 HZ3 LYS 111 3HZ LYS 111 -10.648 -10.359 8.206 797 H LEU 112 H LEU 112 -2.956 -10.083 9.690 798 HA LEU 112 HA LEU 112 -3.122 -12.776 8.590 799 HB2 LEU 112 1HB LEU 112 -0.835 -10.902 9.133 800 HB3 LEU 112 2HB LEU 112 -0.590 -12.577 8.642 801 HG LEU 112 HG LEU 112 -2.004 -10.456 7.026 802 HD11 LEU 112 1HD1 LEU 112 0.101 -11.156 5.543 803 HD12 LEU 112 2HD1 LEU 112 0.791 -11.416 7.145 804 HD13 LEU 112 3HD1 LEU 112 0.149 -9.833 6.708 805 HD21 LEU 112 1HD2 LEU 112 -2.868 -12.126 5.850 806 HD22 LEU 112 2HD2 LEU 112 -2.074 -13.309 6.891 807 HD23 LEU 112 3HD2 LEU 112 -1.237 -12.679 5.471 808 H GLY 113 H GLY 113 -3.537 -11.622 11.542 809 HA2 GLY 113 1HA GLY 113 -3.500 -12.646 13.606 810 HA3 GLY 113 2HA GLY 113 -2.860 -14.082 12.821 811 H ARG 114 H ARG 114 -1.130 -11.177 12.275 812 HA ARG 114 HA ARG 114 0.974 -12.118 14.103 813 HB2 ARG 114 1HB ARG 114 1.165 -10.394 11.627 814 HB3 ARG 114 2HB ARG 114 2.521 -10.805 12.668 815 HG2 ARG 114 1HG ARG 114 2.326 -13.127 12.110 816 HG3 ARG 114 2HG ARG 114 0.836 -12.828 11.213 817 HD2 ARG 114 1HD ARG 114 2.931 -13.094 9.827 818 HD3 ARG 114 2HD ARG 114 1.980 -11.641 9.521 819 HE ARG 114 HE ARG 114 4.037 -11.195 11.448 820 HH11 ARG 114 2HH1 ARG 114 3.395 -11.458 8.037 821 HH12 ARG 114 1HH1 ARG 114 4.740 -10.468 7.575 822 HH21 ARG 114 2HH2 ARG 114 5.811 -9.891 10.853 823 HH22 ARG 114 1HH2 ARG 114 6.114 -9.578 9.177 824 H LEU 115 H LEU 115 -0.858 -10.818 15.475 825 HA LEU 115 HA LEU 115 -0.842 -8.044 15.554 826 HB2 LEU 115 1HB LEU 115 -1.031 -9.873 17.939 827 HB3 LEU 115 2HB LEU 115 -1.646 -8.226 17.815 828 HG LEU 115 HG LEU 115 -2.681 -10.590 16.250 829 HD11 LEU 115 1HD1 LEU 115 -3.940 -9.146 18.575 830 HD12 LEU 115 2HD1 LEU 115 -3.139 -10.713 18.681 831 HD13 LEU 115 3HD1 LEU 115 -4.594 -10.532 17.701 832 HD21 LEU 115 1HD2 LEU 115 -3.695 -9.098 14.962 833 HD22 LEU 115 2HD2 LEU 115 -2.947 -7.782 15.866 834 HD23 LEU 115 3HD2 LEU 115 -4.504 -8.432 16.381 835 H ASP 116 H ASP 116 1.073 -10.236 17.620 836 HA ASP 116 HA ASP 116 2.590 -8.591 19.068 837 HB2 ASP 116 1HB ASP 116 3.360 -11.075 17.574 838 HB3 ASP 116 2HB ASP 116 4.576 -10.194 18.496 839 H GLN 117 H GLN 117 3.149 -9.239 15.628 840 HA GLN 117 HA GLN 117 5.418 -7.517 15.445 841 HB2 GLN 117 1HB GLN 117 3.634 -8.570 13.244 842 HB3 GLN 117 2HB GLN 117 5.224 -7.852 13.029 843 HG2 GLN 117 1HG GLN 117 4.979 -10.207 14.820 844 HG3 GLN 117 2HG GLN 117 4.871 -10.460 13.078 845 HE21 GLN 117 1HE2 GLN 117 6.768 -11.441 12.691 846 HE22 GLN 117 2HE2 GLN 117 8.316 -10.741 13.000 847 H ALA 118 H ALA 118 2.015 -7.214 14.466 848 HA ALA 118 HA ALA 118 1.934 -4.827 13.212 849 HB1 ALA 118 1HB ALA 118 0.075 -6.430 14.589 850 HB2 ALA 118 2HB ALA 118 -0.160 -4.777 15.157 851 HB3 ALA 118 3HB ALA 118 -0.251 -5.138 13.433 852 H VAL 119 H VAL 119 2.263 -5.296 16.702 853 HA VAL 119 HA VAL 119 2.115 -2.554 17.399 854 HB VAL 119 HB VAL 119 3.191 -4.975 18.820 855 HG11 VAL 119 1HG1 VAL 119 3.293 -2.104 19.722 856 HG12 VAL 119 2HG1 VAL 119 3.404 -3.473 20.830 857 HG13 VAL 119 3HG1 VAL 119 4.630 -3.246 19.582 858 HG21 VAL 119 1HG2 VAL 119 0.891 -5.022 18.952 859 HG22 VAL 119 2HG2 VAL 119 1.303 -4.132 20.417 860 HG23 VAL 119 3HG2 VAL 119 0.749 -3.264 18.986 861 H LEU 120 H LEU 120 4.837 -4.737 16.770 862 HA LEU 120 HA LEU 120 6.894 -2.926 17.384 863 HB2 LEU 120 1HB LEU 120 6.925 -5.188 15.392 864 HB3 LEU 120 2HB LEU 120 8.341 -4.398 16.083 865 HG LEU 120 HG LEU 120 6.367 -5.762 17.871 866 HD11 LEU 120 1HD1 LEU 120 8.551 -7.493 17.304 867 HD12 LEU 120 2HD1 LEU 120 7.762 -7.068 15.786 868 HD13 LEU 120 3HD1 LEU 120 6.824 -7.785 17.096 869 HD21 LEU 120 1HD2 LEU 120 8.064 -5.750 19.416 870 HD22 LEU 120 2HD2 LEU 120 8.412 -4.264 18.532 871 HD23 LEU 120 3HD2 LEU 120 9.331 -5.730 18.188 872 H ASP 121 H ASP 121 5.170 -3.585 14.371 873 HA ASP 121 HA ASP 121 6.756 -1.889 12.742 874 HB2 ASP 121 1HB ASP 121 5.558 -3.396 11.471 875 HB3 ASP 121 2HB ASP 121 4.110 -3.243 12.462 876 H LEU 122 H LEU 122 4.049 -1.351 14.858 877 HA LEU 122 HA LEU 122 3.471 1.280 13.819 878 HB2 LEU 122 1HB LEU 122 2.488 -0.260 16.208 879 HB3 LEU 122 2HB LEU 122 1.993 1.398 15.871 880 HG LEU 122 HG LEU 122 1.520 -0.939 14.022 881 HD11 LEU 122 1HD1 LEU 122 -0.885 0.115 15.058 882 HD12 LEU 122 2HD1 LEU 122 0.179 -0.205 16.426 883 HD13 LEU 122 3HD1 LEU 122 -0.208 -1.497 15.290 884 HD21 LEU 122 1HD2 LEU 122 1.521 0.983 12.704 885 HD22 LEU 122 2HD2 LEU 122 0.777 1.966 13.965 886 HD23 LEU 122 3HD2 LEU 122 -0.181 0.756 13.109 887 H GLN 123 H GLN 123 5.215 -0.119 16.534 888 HA GLN 123 HA GLN 123 5.622 2.151 18.080 889 HB2 GLN 123 1HB GLN 123 7.292 -0.310 17.629 890 HB3 GLN 123 2HB GLN 123 7.816 0.964 18.722 891 HG2 GLN 123 1HG GLN 123 5.380 0.614 19.698 892 HG3 GLN 123 2HG GLN 123 5.605 -0.988 18.997 893 HE21 GLN 123 1HE2 GLN 123 5.300 -1.151 21.525 894 HE22 GLN 123 2HE2 GLN 123 6.780 -1.329 22.398 895 H ARG 124 H ARG 124 6.706 1.518 14.944 896 HA ARG 124 HA ARG 124 9.041 3.245 15.126 897 HB2 ARG 124 1HB ARG 124 7.829 1.835 12.741 898 HB3 ARG 124 2HB ARG 124 9.360 2.700 12.749 899 HG2 ARG 124 1HG ARG 124 10.259 1.106 14.363 900 HG3 ARG 124 2HG ARG 124 8.720 0.241 14.365 901 HD2 ARG 124 1HD ARG 124 9.848 -1.016 12.835 902 HD3 ARG 124 2HD ARG 124 9.162 0.198 11.756 903 HE ARG 124 HE ARG 124 11.538 1.277 12.419 904 HH11 ARG 124 2HH1 ARG 124 10.622 -1.874 11.256 905 HH12 ARG 124 1HH1 ARG 124 12.120 -2.147 10.428 906 HH21 ARG 124 2HH2 ARG 124 13.513 0.930 11.333 907 HH22 ARG 124 1HH2 ARG 124 13.763 -0.552 10.473 908 H CYS 125 H CYS 125 6.041 3.150 13.196 909 HA CYS 125 HA CYS 125 6.235 5.610 11.976 910 HB2 CYS 125 1HB CYS 125 3.881 5.503 11.605 911 HB3 CYS 125 2HB CYS 125 4.470 3.846 11.589 912 HG CYS 125 HG CYS 125 3.564 3.245 14.155 913 H VAL 126 H VAL 126 5.487 4.879 15.283 914 HA VAL 126 HA VAL 126 4.364 7.435 15.925 915 HB VAL 126 HB VAL 126 5.503 5.305 17.741 916 HG11 VAL 126 1HG1 VAL 126 4.051 6.484 19.453 917 HG12 VAL 126 2HG1 VAL 126 5.526 7.321 18.967 918 HG13 VAL 126 3HG1 VAL 126 3.968 7.827 18.313 919 HG21 VAL 126 1HG2 VAL 126 3.416 4.366 17.881 920 HG22 VAL 126 2HG2 VAL 126 2.591 5.863 17.444 921 HG23 VAL 126 3HG2 VAL 126 3.406 4.911 16.203 922 H SER 127 H SER 127 7.563 6.075 15.814 923 HA SER 127 HA SER 127 8.781 8.158 17.383 924 HB2 SER 127 1HB SER 127 9.613 5.720 17.023 925 HB3 SER 127 2HB SER 127 10.295 6.346 15.522 926 HG SER 127 HG SER 127 10.774 7.701 17.933 927 H LEU 128 H LEU 128 8.893 7.244 13.939 928 HA LEU 128 HA LEU 128 10.385 9.426 13.045 929 HB2 LEU 128 1HB LEU 128 8.534 7.474 11.799 930 HB3 LEU 128 2HB LEU 128 8.911 8.929 10.878 931 HG LEU 128 HG LEU 128 11.079 7.171 11.985 932 HD11 LEU 128 1HD1 LEU 128 9.874 6.904 9.240 933 HD12 LEU 128 2HD1 LEU 128 9.477 5.838 10.588 934 HD13 LEU 128 3HD1 LEU 128 11.130 5.906 9.976 935 HD21 LEU 128 1HD2 LEU 128 11.666 8.347 9.479 936 HD22 LEU 128 2HD2 LEU 128 12.385 8.700 11.050 937 HD23 LEU 128 3HD2 LEU 128 10.969 9.600 10.506 938 H GLU 129 H GLU 129 7.004 9.146 13.833 939 HA GLU 129 HA GLU 129 6.672 11.999 13.188 940 HB2 GLU 129 1HB GLU 129 4.649 9.790 12.779 941 HB3 GLU 129 2HB GLU 129 4.297 11.505 12.624 942 HG2 GLU 129 1HG GLU 129 5.841 9.714 10.834 943 HG3 GLU 129 2HG GLU 129 4.652 10.955 10.443 944 HA PRO 130 HA PRO 130 5.799 11.414 17.656 945 HB2 PRO 130 1HB PRO 130 6.767 13.847 18.373 946 HB3 PRO 130 2HB PRO 130 7.797 12.426 18.168 947 HG2 PRO 130 1HG PRO 130 7.288 14.687 16.273 948 HG3 PRO 130 2HG PRO 130 8.819 13.887 16.675 949 HD2 PRO 130 1HD PRO 130 7.430 13.326 14.419 950 HD3 PRO 130 2HD PRO 130 8.404 12.109 15.268 951 H LYS 131 H LYS 131 4.549 13.241 15.185 952 HA LYS 131 HA LYS 131 2.697 14.692 16.952 953 HB2 LYS 131 1HB LYS 131 2.142 16.006 14.883 954 HB3 LYS 131 2HB LYS 131 3.792 16.200 15.459 955 HG2 LYS 131 1HG LYS 131 4.669 14.889 13.722 956 HG3 LYS 131 2HG LYS 131 3.083 14.241 13.300 957 HD2 LYS 131 1HD LYS 131 3.553 15.835 11.637 958 HD3 LYS 131 2HD LYS 131 2.434 16.642 12.739 959 HE2 LYS 131 1HE LYS 131 4.002 18.284 12.533 960 HE3 LYS 131 2HE LYS 131 4.695 17.398 13.891 961 HZ1 LYS 131 1HZ LYS 131 5.639 17.630 11.151 962 HZ2 LYS 131 2HZ LYS 131 5.809 16.105 11.864 963 HZ3 LYS 131 3HZ LYS 131 6.515 17.461 12.589 964 H ASN 132 H ASN 132 2.869 12.541 14.157 965 HA ASN 132 HA ASN 132 0.177 12.358 13.524 966 HB2 ASN 132 1HB ASN 132 2.521 10.538 13.225 967 HB3 ASN 132 2HB ASN 132 0.917 9.868 12.943 968 HD21 ASN 132 1HD2 ASN 132 -0.147 10.355 11.104 969 HD22 ASN 132 2HD2 ASN 132 0.492 11.356 9.849 970 H LYS 133 H LYS 133 -1.052 12.422 15.429 971 HA LYS 133 HA LYS 133 -0.781 10.573 17.550 972 HB2 LYS 133 1HB LYS 133 -3.034 12.360 16.655 973 HB3 LYS 133 2HB LYS 133 -3.193 11.295 18.045 974 HG2 LYS 133 1HG LYS 133 -1.079 12.429 18.926 975 HG3 LYS 133 2HG LYS 133 -1.378 13.652 17.690 976 HD2 LYS 133 1HD LYS 133 -3.478 12.822 19.676 977 HD3 LYS 133 2HD LYS 133 -2.316 14.108 20.012 978 HE2 LYS 133 1HE LYS 133 -4.231 14.033 17.682 979 HE3 LYS 133 2HE LYS 133 -4.442 14.985 19.151 980 HZ1 LYS 133 1HZ LYS 133 -3.480 16.537 17.832 981 HZ2 LYS 133 2HZ LYS 133 -2.625 15.411 16.905 982 HZ3 LYS 133 3HZ LYS 133 -2.065 15.840 18.443 983 H VAL 134 H VAL 134 -2.666 10.562 14.578 984 HA VAL 134 HA VAL 134 -4.489 8.600 14.913 985 HB VAL 134 HB VAL 134 -2.637 8.846 12.538 986 HG11 VAL 134 1HG1 VAL 134 -4.286 7.654 11.271 987 HG12 VAL 134 2HG1 VAL 134 -3.866 6.681 12.683 988 HG13 VAL 134 3HG1 VAL 134 -5.376 7.593 12.656 989 HG21 VAL 134 1HG2 VAL 134 -5.349 10.056 13.073 990 HG22 VAL 134 2HG2 VAL 134 -3.812 10.920 13.032 991 HG23 VAL 134 3HG2 VAL 134 -4.449 10.185 11.561 992 H PHE 135 H PHE 135 -1.014 8.160 14.666 993 HA PHE 135 HA PHE 135 -1.051 5.335 14.425 994 HB2 PHE 135 1HB PHE 135 1.144 7.102 15.528 995 HB3 PHE 135 2HB PHE 135 1.328 5.445 14.960 996 HD1 PHE 135 1HD PHE 135 -0.688 6.003 12.585 997 HD2 PHE 135 2HD PHE 135 2.877 7.857 13.989 998 HE1 PHE 135 1HE PHE 135 -0.229 6.832 10.314 999 HE2 PHE 135 2HE PHE 135 3.341 8.690 11.721 1000 HZ PHE 135 HZ PHE 135 1.787 8.179 9.880 1001 H GLN 136 H GLN 136 -0.251 7.407 17.218 1002 HA GLN 136 HA GLN 136 0.109 5.587 19.179 1003 HB2 GLN 136 1HB GLN 136 -1.477 8.151 19.366 1004 HB3 GLN 136 2HB GLN 136 -0.924 7.231 20.759 1005 HG2 GLN 136 1HG GLN 136 1.274 7.798 20.439 1006 HG3 GLN 136 2HG GLN 136 1.061 8.085 18.713 1007 HE21 GLN 136 1HE2 GLN 136 2.094 10.084 18.867 1008 HE22 GLN 136 2HE2 GLN 136 1.318 11.462 19.563 1009 H GLU 137 H GLU 137 -3.013 6.610 17.876 1010 HA GLU 137 HA GLU 137 -4.614 5.161 19.700 1011 HB2 GLU 137 1HB GLU 137 -5.588 5.606 16.925 1012 HB3 GLU 137 2HB GLU 137 -6.409 5.864 18.458 1013 HG2 GLU 137 1HG GLU 137 -4.581 7.768 18.685 1014 HG3 GLU 137 2HG GLU 137 -4.631 7.669 16.925 1015 H ALA 138 H ALA 138 -3.340 4.377 16.489 1016 HA ALA 138 HA ALA 138 -4.618 1.955 16.060 1017 HB1 ALA 138 1HB ALA 138 -1.773 2.168 15.248 1018 HB2 ALA 138 2HB ALA 138 -3.183 1.659 14.319 1019 HB3 ALA 138 3HB ALA 138 -2.898 3.373 14.621 1020 H LEU 139 H LEU 139 -1.367 2.420 17.462 1021 HA LEU 139 HA LEU 139 -1.009 -0.274 18.196 1022 HB2 LEU 139 1HB LEU 139 0.632 1.806 18.062 1023 HB3 LEU 139 2HB LEU 139 0.281 1.879 19.787 1024 HG LEU 139 HG LEU 139 1.154 -0.727 18.649 1025 HD11 LEU 139 1HD1 LEU 139 2.627 1.194 17.755 1026 HD12 LEU 139 2HD1 LEU 139 3.406 -0.189 18.523 1027 HD13 LEU 139 3HD1 LEU 139 3.201 1.316 19.418 1028 HD21 LEU 139 1HD2 LEU 139 1.904 -1.140 20.796 1029 HD22 LEU 139 2HD2 LEU 139 0.478 -0.144 21.087 1030 HD23 LEU 139 3HD2 LEU 139 2.087 0.573 21.175 1031 H ARG 140 H ARG 140 -2.504 2.442 19.824 1032 HA ARG 140 HA ARG 140 -2.679 1.172 22.381 1033 HB2 ARG 140 1HB ARG 140 -3.986 3.602 21.175 1034 HB3 ARG 140 2HB ARG 140 -4.393 3.034 22.788 1035 HG2 ARG 140 1HG ARG 140 -2.189 3.419 23.575 1036 HG3 ARG 140 2HG ARG 140 -1.588 3.700 21.939 1037 HD2 ARG 140 1HD ARG 140 -2.678 5.768 21.774 1038 HD3 ARG 140 2HD ARG 140 -3.736 5.416 23.140 1039 HE ARG 140 HE ARG 140 -1.034 5.451 23.973 1040 HH11 ARG 140 2HH1 ARG 140 -3.626 7.562 22.998 1041 HH12 ARG 140 1HH1 ARG 140 -3.045 8.913 23.913 1042 HH21 ARG 140 2HH2 ARG 140 -0.259 7.223 25.182 1043 HH22 ARG 140 1HH2 ARG 140 -1.129 8.720 25.154 1044 H ASN 141 H ASN 141 -4.289 0.699 19.482 1045 HA ASN 141 HA ASN 141 -6.767 -0.195 20.762 1046 HB2 ASN 141 1HB ASN 141 -5.986 0.469 17.948 1047 HB3 ASN 141 2HB ASN 141 -7.350 -0.609 18.230 1048 HD21 ASN 141 1HD2 ASN 141 -7.519 1.904 16.990 1049 HD22 ASN 141 2HD2 ASN 141 -8.485 2.932 17.988 1050 H ILE 142 H ILE 142 -3.869 -1.376 19.303 1051 HA ILE 142 HA ILE 142 -4.943 -4.101 19.161 1052 HB ILE 142 HB ILE 142 -3.119 -4.695 17.802 1053 HG12 ILE 142 1HG1 ILE 142 -1.816 -2.074 18.573 1054 HG13 ILE 142 2HG1 ILE 142 -1.352 -3.663 19.171 1055 HG21 ILE 142 1HG2 ILE 142 -4.754 -2.529 17.131 1056 HG22 ILE 142 2HG2 ILE 142 -3.140 -2.098 16.568 1057 HG23 ILE 142 3HG2 ILE 142 -3.889 -3.600 16.029 1058 HD11 ILE 142 1HD1 ILE 142 -0.295 -4.227 17.247 1059 HD12 ILE 142 2HD1 ILE 142 -1.369 -3.256 16.239 1060 HD13 ILE 142 3HD1 ILE 142 -0.093 -2.477 17.174 1061 H SER 143 H SER 143 -2.894 -2.076 21.037 1062 HA SER 143 HA SER 143 -1.592 -4.327 22.356 1063 HB2 SER 143 1HB SER 143 -0.356 -2.196 21.755 1064 HB3 SER 143 2HB SER 143 -1.291 -1.393 23.016 1065 HG SER 143 HG SER 143 -0.162 -2.393 24.511 1066 H GLY 144 H GLY 144 -4.133 -2.004 22.872 1067 HA2 GLY 144 1HA GLY 144 -4.374 -2.172 25.665 1068 HA3 GLY 144 2HA GLY 144 -5.673 -1.758 24.556 1069 HA PRO 145 HA PRO 145 -5.970 -6.196 26.413 1070 HB2 PRO 145 1HB PRO 145 -7.301 -5.721 28.731 1071 HB3 PRO 145 2HB PRO 145 -5.537 -5.796 28.633 1072 HG2 PRO 145 1HG PRO 145 -7.331 -3.400 28.686 1073 HG3 PRO 145 2HG PRO 145 -5.803 -3.673 29.544 1074 HD2 PRO 145 1HD PRO 145 -5.961 -2.191 27.283 1075 HD3 PRO 145 2HD PRO 145 -4.528 -3.155 27.695 1076 H SER 146 H SER 146 -7.567 -7.051 25.245 1077 HA SER 146 HA SER 146 -9.959 -5.675 24.594 1078 HB2 SER 146 1HB SER 146 -8.905 -7.435 23.168 1079 HB3 SER 146 2HB SER 146 -9.406 -8.642 24.352 1080 HG SER 146 HG SER 146 -10.966 -8.559 22.772 1081 H SER 147 H SER 147 -9.293 -8.424 26.750 1082 HA SER 147 HA SER 147 -12.006 -8.468 27.725 1083 HB2 SER 147 1HB SER 147 -11.084 -10.205 29.312 1084 HB3 SER 147 2HB SER 147 -10.879 -10.581 27.601 1085 HG SER 147 HG SER 147 -8.928 -9.545 29.382 1086 H GLY 148 H GLY 148 -12.730 -7.869 29.760 1087 HA2 GLY 148 1HA GLY 148 -12.420 -7.055 31.980 1088 HA3 GLY 148 2HA GLY 148 -10.833 -6.466 31.509 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -66.133 17.505 -2.910 2 HA2 GLY 1 1HA GLY 1 -63.887 16.743 -1.737 3 HA3 GLY 1 2HA GLY 1 -64.435 15.193 -2.358 4 H SER 2 H SER 2 -62.803 18.089 -3.060 5 HA SER 2 HA SER 2 -63.099 18.183 -5.864 6 HB2 SER 2 1HB SER 2 -61.190 19.335 -3.885 7 HB3 SER 2 2HB SER 2 -60.709 19.332 -5.582 8 HG SER 2 HG SER 2 -63.026 20.506 -4.444 9 H SER 3 H SER 3 -60.262 17.091 -3.993 10 HA SER 3 HA SER 3 -58.629 15.575 -4.455 11 HB2 SER 3 1HB SER 3 -60.775 14.184 -6.073 12 HB3 SER 3 2HB SER 3 -59.320 13.452 -5.399 13 HG SER 3 HG SER 3 -60.851 12.995 -3.931 14 H GLY 4 H GLY 4 -58.543 17.821 -6.045 15 HA2 GLY 4 1HA GLY 4 -58.299 17.087 -8.822 16 HA3 GLY 4 2HA GLY 4 -57.886 18.640 -8.111 17 H SER 5 H SER 5 -56.162 18.022 -9.895 18 HA SER 5 HA SER 5 -53.872 16.870 -8.444 19 HB2 SER 5 1HB SER 5 -54.908 15.535 -10.459 20 HB3 SER 5 2HB SER 5 -54.027 16.712 -11.432 21 HG SER 5 HG SER 5 -53.031 14.781 -9.642 22 H SER 6 H SER 6 -51.777 17.488 -9.844 23 HA SER 6 HA SER 6 -51.955 20.330 -10.569 24 HB2 SER 6 1HB SER 6 -49.852 19.128 -8.751 25 HB3 SER 6 2HB SER 6 -49.896 20.799 -9.311 26 HG SER 6 HG SER 6 -50.924 20.008 -7.141 27 H GLY 7 H GLY 7 -49.434 17.814 -10.291 28 HA2 GLY 7 1HA GLY 7 -48.607 16.746 -12.338 29 HA3 GLY 7 2HA GLY 7 -48.807 18.298 -13.138 30 H MET 8 H MET 8 -46.478 16.359 -12.417 31 HA MET 8 HA MET 8 -44.675 18.468 -11.423 32 HB2 MET 8 1HB MET 8 -44.788 15.537 -10.829 33 HB3 MET 8 2HB MET 8 -43.237 16.365 -10.778 34 HG2 MET 8 1HG MET 8 -43.854 17.691 -8.986 35 HG3 MET 8 2HG MET 8 -45.576 17.452 -9.275 36 HE1 MET 8 1HE MET 8 -43.860 16.144 -5.877 37 HE2 MET 8 2HE MET 8 -42.531 15.676 -6.937 38 HE3 MET 8 3HE MET 8 -43.238 17.287 -7.067 39 H THR 9 H THR 9 -42.270 17.677 -12.001 40 HA THR 9 HA THR 9 -42.291 17.129 -14.898 41 HB THR 9 HB THR 9 -40.226 18.734 -13.381 42 HG1 THR 9 1HG THR 9 -41.262 20.502 -14.585 43 HG21 THR 9 1HG2 THR 9 -40.658 18.132 -16.300 44 HG22 THR 9 2HG2 THR 9 -39.224 17.820 -15.322 45 HG23 THR 9 3HG2 THR 9 -39.662 19.475 -15.743 46 H VAL 10 H VAL 10 -41.177 15.424 -15.611 47 HA VAL 10 HA VAL 10 -39.475 13.990 -13.690 48 HB VAL 10 HB VAL 10 -41.324 12.664 -14.536 49 HG11 VAL 10 1HG1 VAL 10 -40.181 13.221 -17.271 50 HG12 VAL 10 2HG1 VAL 10 -41.493 12.094 -16.920 51 HG13 VAL 10 3HG1 VAL 10 -41.713 13.821 -16.636 52 HG21 VAL 10 1HG2 VAL 10 -38.601 11.888 -15.552 53 HG22 VAL 10 2HG2 VAL 10 -39.389 11.390 -14.054 54 HG23 VAL 10 3HG2 VAL 10 -39.987 10.799 -15.604 55 H SER 11 H SER 11 -39.566 15.334 -16.935 56 HA SER 11 HA SER 11 -37.388 14.376 -18.186 57 HB2 SER 11 1HB SER 11 -37.025 16.663 -19.136 58 HB3 SER 11 2HB SER 11 -38.708 16.140 -19.182 59 HG SER 11 HG SER 11 -39.190 17.508 -17.546 60 H GLY 12 H GLY 12 -35.174 14.595 -18.149 61 HA2 GLY 12 1HA GLY 12 -33.963 16.265 -16.076 62 HA3 GLY 12 2HA GLY 12 -33.685 14.533 -15.976 63 HA PRO 13 HA PRO 13 -30.426 16.597 -18.652 64 HB2 PRO 13 1HB PRO 13 -28.294 15.839 -17.152 65 HB3 PRO 13 2HB PRO 13 -29.179 17.343 -16.873 66 HG2 PRO 13 1HG PRO 13 -29.404 14.721 -15.446 67 HG3 PRO 13 2HG PRO 13 -29.376 16.362 -14.774 68 HD2 PRO 13 1HD PRO 13 -31.670 14.962 -15.106 69 HD3 PRO 13 2HD PRO 13 -31.601 16.730 -15.251 70 H GLY 14 H GLY 14 -28.188 15.343 -19.204 71 HA2 GLY 14 1HA GLY 14 -29.027 12.590 -19.870 72 HA3 GLY 14 2HA GLY 14 -27.991 13.582 -20.885 73 H THR 15 H THR 15 -26.034 12.708 -20.930 74 HA THR 15 HA THR 15 -24.619 12.283 -18.428 75 HB THR 15 HB THR 15 -24.993 10.050 -20.432 76 HG1 THR 15 1HG THR 15 -25.587 9.091 -18.191 77 HG21 THR 15 1HG2 THR 15 -23.373 8.794 -19.315 78 HG22 THR 15 2HG2 THR 15 -23.385 9.856 -17.906 79 HG23 THR 15 3HG2 THR 15 -22.646 10.398 -19.413 80 HA PRO 16 HA PRO 16 -21.368 13.995 -20.870 81 HB2 PRO 16 1HB PRO 16 -19.288 13.383 -19.236 82 HB3 PRO 16 2HB PRO 16 -20.444 14.672 -18.878 83 HG2 PRO 16 1HG PRO 16 -20.341 11.872 -17.823 84 HG3 PRO 16 2HG PRO 16 -20.664 13.384 -16.954 85 HD2 PRO 16 1HD PRO 16 -22.637 11.696 -17.722 86 HD3 PRO 16 2HD PRO 16 -22.864 13.455 -17.638 87 H GLU 17 H GLU 17 -19.169 13.335 -21.725 88 HA GLU 17 HA GLU 17 -18.617 10.517 -21.914 89 HB2 GLU 17 1HB GLU 17 -19.915 12.008 -24.157 90 HB3 GLU 17 2HB GLU 17 -18.722 10.773 -24.536 91 HG2 GLU 17 1HG GLU 17 -20.598 9.504 -24.588 92 HG3 GLU 17 2HG GLU 17 -20.193 9.341 -22.880 93 HA PRO 18 HA PRO 18 -14.539 11.948 -22.661 94 HB2 PRO 18 1HB PRO 18 -13.528 9.976 -24.230 95 HB3 PRO 18 2HB PRO 18 -13.855 9.760 -22.506 96 HG2 PRO 18 1HG PRO 18 -15.506 8.940 -24.865 97 HG3 PRO 18 2HG PRO 18 -15.145 8.035 -23.383 98 HD2 PRO 18 1HD PRO 18 -17.493 9.330 -23.764 99 HD3 PRO 18 2HD PRO 18 -16.751 9.150 -22.161 100 H ARG 19 H ARG 19 -12.866 12.089 -24.592 101 HA ARG 19 HA ARG 19 -14.216 12.848 -27.076 102 HB2 ARG 19 1HB ARG 19 -12.644 14.653 -25.282 103 HB3 ARG 19 2HB ARG 19 -12.575 14.903 -27.021 104 HG2 ARG 19 1HG ARG 19 -15.133 14.922 -26.930 105 HG3 ARG 19 2HG ARG 19 -14.932 15.122 -25.188 106 HD2 ARG 19 1HD ARG 19 -13.412 16.906 -27.026 107 HD3 ARG 19 2HD ARG 19 -15.134 17.202 -26.789 108 HE ARG 19 HE ARG 19 -13.778 16.898 -24.307 109 HH11 ARG 19 2HH1 ARG 19 -14.358 19.143 -26.905 110 HH12 ARG 19 1HH1 ARG 19 -14.125 20.547 -25.917 111 HH21 ARG 19 2HH2 ARG 19 -13.468 18.740 -22.997 112 HH22 ARG 19 1HH2 ARG 19 -13.618 20.317 -23.695 113 HA PRO 20 HA PRO 20 -10.772 10.880 -28.970 114 HB2 PRO 20 1HB PRO 20 -10.786 12.128 -31.381 115 HB3 PRO 20 2HB PRO 20 -11.995 10.925 -30.915 116 HG2 PRO 20 1HG PRO 20 -12.185 13.912 -30.881 117 HG3 PRO 20 2HG PRO 20 -13.384 12.721 -31.418 118 HD2 PRO 20 1HD PRO 20 -13.512 13.928 -28.997 119 HD3 PRO 20 2HD PRO 20 -14.082 12.269 -29.268 120 H ALA 21 H ALA 21 -8.752 11.478 -30.300 121 HA ALA 21 HA ALA 21 -6.708 12.481 -30.324 122 HB1 ALA 21 1HB ALA 21 -6.673 14.665 -31.001 123 HB2 ALA 21 2HB ALA 21 -8.360 14.267 -31.327 124 HB3 ALA 21 3HB ALA 21 -7.930 15.155 -29.865 125 H THR 22 H THR 22 -7.144 11.387 -27.940 126 HA THR 22 HA THR 22 -6.054 13.370 -26.057 127 HB THR 22 HB THR 22 -8.397 12.895 -25.458 128 HG1 THR 22 1HG THR 22 -6.603 11.680 -23.608 129 HG21 THR 22 1HG2 THR 22 -7.405 10.052 -25.294 130 HG22 THR 22 2HG2 THR 22 -8.717 10.684 -26.289 131 HG23 THR 22 3HG2 THR 22 -8.899 10.604 -24.537 132 HA PRO 23 HA PRO 23 -2.768 10.475 -25.560 133 HB2 PRO 23 1HB PRO 23 -1.791 11.367 -23.189 134 HB3 PRO 23 2HB PRO 23 -1.555 12.233 -24.712 135 HG2 PRO 23 1HG PRO 23 -3.552 12.734 -22.539 136 HG3 PRO 23 2HG PRO 23 -2.578 13.899 -23.454 137 HD2 PRO 23 1HD PRO 23 -5.179 13.411 -24.023 138 HD3 PRO 23 2HD PRO 23 -3.994 13.849 -25.271 139 H GLY 24 H GLY 24 -4.605 11.138 -22.565 140 HA2 GLY 24 1HA GLY 24 -5.876 9.444 -21.447 141 HA3 GLY 24 2HA GLY 24 -4.818 8.233 -22.157 142 H ALA 25 H ALA 25 -4.328 7.255 -20.201 143 HA ALA 25 HA ALA 25 -2.626 8.862 -18.410 144 HB1 ALA 25 1HB ALA 25 -4.183 8.473 -16.853 145 HB2 ALA 25 2HB ALA 25 -4.944 7.193 -17.799 146 HB3 ALA 25 3HB ALA 25 -3.528 6.836 -16.810 147 H SER 26 H SER 26 -0.644 8.249 -19.134 148 HA SER 26 HA SER 26 -0.005 5.382 -18.926 149 HB2 SER 26 1HB SER 26 0.553 7.289 -21.144 150 HB3 SER 26 2HB SER 26 1.808 6.115 -20.749 151 HG SER 26 HG SER 26 -0.813 5.188 -20.987 152 H SER 27 H SER 27 1.122 8.709 -18.685 153 HA SER 27 HA SER 27 3.733 8.176 -17.791 154 HB2 SER 27 1HB SER 27 1.901 10.520 -17.728 155 HB3 SER 27 2HB SER 27 3.279 10.545 -16.628 156 HG SER 27 HG SER 27 4.478 11.013 -18.274 157 H VAL 28 H VAL 28 4.505 7.469 -15.912 158 HA VAL 28 HA VAL 28 2.883 6.466 -13.876 159 HB VAL 28 HB VAL 28 5.070 5.584 -14.042 160 HG11 VAL 28 1HG1 VAL 28 6.794 6.813 -14.705 161 HG12 VAL 28 2HG1 VAL 28 5.806 8.269 -14.562 162 HG13 VAL 28 3HG1 VAL 28 6.759 7.709 -13.186 163 HG21 VAL 28 1HG2 VAL 28 5.695 7.096 -11.621 164 HG22 VAL 28 2HG2 VAL 28 4.052 6.457 -11.654 165 HG23 VAL 28 3HG2 VAL 28 5.425 5.367 -11.841 166 H GLU 29 H GLU 29 4.433 9.602 -14.236 167 HA GLU 29 HA GLU 29 3.847 10.489 -11.583 168 HB2 GLU 29 1HB GLU 29 4.380 12.774 -12.600 169 HB3 GLU 29 2HB GLU 29 5.665 11.574 -12.603 170 HG2 GLU 29 1HG GLU 29 5.340 11.119 -14.917 171 HG3 GLU 29 2HG GLU 29 3.873 12.096 -14.959 172 H GLN 30 H GLN 30 2.312 10.854 -14.739 173 HA GLN 30 HA GLN 30 0.206 12.522 -13.646 174 HB2 GLN 30 1HB GLN 30 0.964 13.053 -15.868 175 HB3 GLN 30 2HB GLN 30 0.687 11.403 -16.409 176 HG2 GLN 30 1HG GLN 30 -1.719 11.703 -16.064 177 HG3 GLN 30 2HG GLN 30 -1.429 13.366 -15.556 178 HE21 GLN 30 1HE2 GLN 30 -1.833 14.793 -17.069 179 HE22 GLN 30 2HE2 GLN 30 -1.634 14.569 -18.770 180 H LEU 31 H LEU 31 0.143 9.520 -15.573 181 HA LEU 31 HA LEU 31 -2.368 8.675 -15.299 182 HB2 LEU 31 1HB LEU 31 -1.662 6.548 -15.729 183 HB3 LEU 31 2HB LEU 31 -0.221 7.460 -16.175 184 HG LEU 31 HG LEU 31 0.621 6.946 -13.817 185 HD11 LEU 31 1HD1 LEU 31 -0.840 4.480 -13.641 186 HD12 LEU 31 2HD1 LEU 31 -1.943 5.854 -13.580 187 HD13 LEU 31 3HD1 LEU 31 -0.614 5.739 -12.426 188 HD21 LEU 31 1HD2 LEU 31 1.797 5.829 -15.426 189 HD22 LEU 31 2HD2 LEU 31 0.362 5.057 -16.100 190 HD23 LEU 31 3HD2 LEU 31 1.056 4.464 -14.591 191 H ARG 32 H ARG 32 -0.020 8.775 -12.705 192 HA ARG 32 HA ARG 32 -0.926 7.218 -10.738 193 HB2 ARG 32 1HB ARG 32 0.744 9.289 -10.741 194 HB3 ARG 32 2HB ARG 32 -0.623 10.080 -9.968 195 HG2 ARG 32 1HG ARG 32 -0.476 8.802 -8.078 196 HG3 ARG 32 2HG ARG 32 0.265 7.442 -8.925 197 HD2 ARG 32 1HD ARG 32 1.570 10.051 -8.168 198 HD3 ARG 32 2HD ARG 32 1.908 8.457 -7.494 199 HE ARG 32 HE ARG 32 2.341 8.387 -10.266 200 HH11 ARG 32 2HH1 ARG 32 3.702 9.772 -7.377 201 HH12 ARG 32 1HH1 ARG 32 5.317 9.820 -8.004 202 HH21 ARG 32 2HH2 ARG 32 4.463 8.445 -11.103 203 HH22 ARG 32 1HH2 ARG 32 5.748 9.066 -10.124 204 H LYS 33 H LYS 33 -2.363 10.423 -11.368 205 HA LYS 33 HA LYS 33 -4.400 10.418 -9.552 206 HB2 LYS 33 1HB LYS 33 -4.089 11.576 -12.277 207 HB3 LYS 33 2HB LYS 33 -5.696 11.602 -11.562 208 HG2 LYS 33 1HG LYS 33 -4.823 13.643 -10.933 209 HG3 LYS 33 2HG LYS 33 -4.515 12.640 -9.513 210 HD2 LYS 33 1HD LYS 33 -2.420 12.766 -11.620 211 HD3 LYS 33 2HD LYS 33 -2.634 14.174 -10.577 212 HE2 LYS 33 1HE LYS 33 -2.357 11.404 -9.454 213 HE3 LYS 33 2HE LYS 33 -0.947 12.384 -9.853 214 HZ1 LYS 33 1HZ LYS 33 -2.959 12.794 -7.755 215 HZ2 LYS 33 2HZ LYS 33 -2.181 14.144 -8.413 216 HZ3 LYS 33 3HZ LYS 33 -1.275 12.925 -7.668 217 H GLU 34 H GLU 34 -4.377 8.839 -12.720 218 HA GLU 34 HA GLU 34 -6.959 8.032 -13.006 219 HB2 GLU 34 1HB GLU 34 -5.048 7.527 -14.555 220 HB3 GLU 34 2HB GLU 34 -4.593 6.214 -13.478 221 HG2 GLU 34 1HG GLU 34 -5.812 5.134 -15.105 222 HG3 GLU 34 2HG GLU 34 -7.009 5.388 -13.837 223 H GLY 35 H GLY 35 -4.479 6.403 -11.044 224 HA2 GLY 35 1HA GLY 35 -6.257 4.368 -10.113 225 HA3 GLY 35 2HA GLY 35 -4.662 4.730 -9.469 226 H ASN 36 H ASN 36 -4.881 7.266 -8.565 227 HA ASN 36 HA ASN 36 -5.979 7.037 -6.064 228 HB2 ASN 36 1HB ASN 36 -5.363 9.426 -7.776 229 HB3 ASN 36 2HB ASN 36 -6.098 9.639 -6.190 230 HD21 ASN 36 1HD2 ASN 36 -3.334 8.250 -7.867 231 HD22 ASN 36 2HD2 ASN 36 -2.238 8.365 -6.537 232 H GLU 37 H GLU 37 -7.469 8.779 -8.800 233 HA GLU 37 HA GLU 37 -9.848 9.508 -7.678 234 HB2 GLU 37 1HB GLU 37 -9.079 8.702 -10.450 235 HB3 GLU 37 2HB GLU 37 -10.780 8.959 -10.088 236 HG2 GLU 37 1HG GLU 37 -10.239 11.049 -10.764 237 HG3 GLU 37 2HG GLU 37 -9.848 11.204 -9.052 238 H LEU 38 H LEU 38 -9.053 6.356 -9.090 239 HA LEU 38 HA LEU 38 -11.598 5.195 -8.771 240 HB2 LEU 38 1HB LEU 38 -8.833 4.062 -9.031 241 HB3 LEU 38 2HB LEU 38 -10.235 3.019 -8.802 242 HG LEU 38 HG LEU 38 -10.234 4.988 -11.046 243 HD11 LEU 38 1HD1 LEU 38 -8.045 3.761 -11.074 244 HD12 LEU 38 2HD1 LEU 38 -9.062 3.516 -12.494 245 HD13 LEU 38 3HD1 LEU 38 -8.965 2.267 -11.253 246 HD21 LEU 38 1HD2 LEU 38 -11.278 2.172 -10.950 247 HD22 LEU 38 2HD2 LEU 38 -11.738 3.480 -12.041 248 HD23 LEU 38 3HD2 LEU 38 -12.206 3.543 -10.341 249 H PHE 39 H PHE 39 -8.932 5.661 -6.579 250 HA PHE 39 HA PHE 39 -9.851 3.806 -4.601 251 HB2 PHE 39 1HB PHE 39 -7.459 4.720 -4.943 252 HB3 PHE 39 2HB PHE 39 -8.020 6.129 -4.049 253 HD1 PHE 39 1HD PHE 39 -7.657 2.445 -3.829 254 HD2 PHE 39 2HD PHE 39 -8.062 6.120 -1.720 255 HE1 PHE 39 1HE PHE 39 -7.199 1.277 -1.713 256 HE2 PHE 39 2HE PHE 39 -7.604 4.958 0.400 257 HZ PHE 39 HZ PHE 39 -7.171 2.533 0.405 258 H LYS 40 H LYS 40 -9.785 7.367 -4.754 259 HA LYS 40 HA LYS 40 -11.223 7.835 -2.405 260 HB2 LYS 40 1HB LYS 40 -11.775 10.058 -3.491 261 HB3 LYS 40 2HB LYS 40 -10.066 9.662 -3.373 262 HG2 LYS 40 1HG LYS 40 -10.071 8.957 -5.716 263 HG3 LYS 40 2HG LYS 40 -11.783 9.374 -5.831 264 HD2 LYS 40 1HD LYS 40 -10.675 11.237 -6.714 265 HD3 LYS 40 2HD LYS 40 -11.070 11.712 -5.060 266 HE2 LYS 40 1HE LYS 40 -8.884 12.349 -5.109 267 HE3 LYS 40 2HE LYS 40 -8.675 10.676 -4.592 268 HZ1 LYS 40 1HZ LYS 40 -7.946 10.035 -6.667 269 HZ2 LYS 40 2HZ LYS 40 -7.264 11.577 -6.530 270 HZ3 LYS 40 3HZ LYS 40 -8.659 11.349 -7.459 271 H CYS 41 H CYS 41 -12.264 6.419 -5.263 272 HA CYS 41 HA CYS 41 -15.060 7.200 -4.819 273 HB2 CYS 41 1HB CYS 41 -14.068 7.442 -7.117 274 HB3 CYS 41 2HB CYS 41 -13.909 5.691 -7.171 275 HG CYS 41 HG CYS 41 -16.220 5.333 -8.206 276 H GLY 42 H GLY 42 -12.842 4.567 -4.570 277 HA2 GLY 42 1HA GLY 42 -13.541 2.804 -2.990 278 HA3 GLY 42 2HA GLY 42 -15.088 2.796 -3.823 279 H ASP 43 H ASP 43 -13.797 3.048 -6.465 280 HA ASP 43 HA ASP 43 -13.692 0.370 -7.187 281 HB2 ASP 43 1HB ASP 43 -12.687 2.880 -8.495 282 HB3 ASP 43 2HB ASP 43 -12.386 1.309 -9.231 283 H TYR 44 H TYR 44 -12.354 -0.906 -5.976 284 HA TYR 44 HA TYR 44 -9.592 -0.194 -5.543 285 HB2 TYR 44 1HB TYR 44 -10.937 -2.840 -4.979 286 HB3 TYR 44 2HB TYR 44 -9.439 -2.235 -4.279 287 HD1 TYR 44 1HD TYR 44 -10.012 0.416 -3.391 288 HD2 TYR 44 2HD TYR 44 -12.556 -2.995 -3.345 289 HE1 TYR 44 1HE TYR 44 -11.278 1.392 -1.522 290 HE2 TYR 44 2HE TYR 44 -13.829 -2.027 -1.476 291 HH TYR 44 HH TYR 44 -13.854 1.031 -0.656 292 H GLY 45 H GLY 45 -11.299 -2.792 -7.291 293 HA2 GLY 45 1HA GLY 45 -9.187 -4.147 -8.386 294 HA3 GLY 45 2HA GLY 45 -10.718 -3.913 -9.217 295 H GLY 46 H GLY 46 -10.499 -1.050 -9.447 296 HA2 GLY 46 1HA GLY 46 -8.808 -0.975 -11.793 297 HA3 GLY 46 2HA GLY 46 -9.880 0.301 -11.235 298 H ALA 47 H ALA 47 -9.052 1.043 -8.861 299 HA ALA 47 HA ALA 47 -7.002 2.752 -9.143 300 HB1 ALA 47 1HB ALA 47 -7.365 3.169 -6.991 301 HB2 ALA 47 2HB ALA 47 -8.471 1.795 -6.983 302 HB3 ALA 47 3HB ALA 47 -6.785 1.572 -6.518 303 H LEU 48 H LEU 48 -6.646 -0.639 -8.159 304 HA LEU 48 HA LEU 48 -3.872 -0.609 -7.753 305 HB2 LEU 48 1HB LEU 48 -5.450 -2.409 -7.056 306 HB3 LEU 48 2HB LEU 48 -5.532 -2.924 -8.739 307 HG LEU 48 HG LEU 48 -3.956 -4.130 -7.018 308 HD11 LEU 48 1HD1 LEU 48 -2.301 -3.932 -9.283 309 HD12 LEU 48 2HD1 LEU 48 -3.960 -3.753 -9.852 310 HD13 LEU 48 3HD1 LEU 48 -3.498 -5.175 -8.917 311 HD21 LEU 48 1HD2 LEU 48 -2.069 -2.037 -8.057 312 HD22 LEU 48 2HD2 LEU 48 -1.780 -3.266 -6.826 313 HD23 LEU 48 3HD2 LEU 48 -2.845 -1.903 -6.479 314 H ALA 49 H ALA 49 -5.770 -1.455 -10.638 315 HA ALA 49 HA ALA 49 -3.786 -2.246 -12.354 316 HB1 ALA 49 1HB ALA 49 -5.252 -1.122 -14.157 317 HB2 ALA 49 2HB ALA 49 -5.947 -2.422 -13.187 318 HB3 ALA 49 3HB ALA 49 -6.334 -0.742 -12.816 319 H ALA 50 H ALA 50 -4.942 1.106 -11.945 320 HA ALA 50 HA ALA 50 -3.185 2.375 -13.654 321 HB1 ALA 50 1HB ALA 50 -4.723 3.858 -12.904 322 HB2 ALA 50 2HB ALA 50 -4.729 3.195 -11.269 323 HB3 ALA 50 3HB ALA 50 -3.425 4.266 -11.782 324 H TYR 51 H TYR 51 -2.733 1.732 -10.180 325 HA TYR 51 HA TYR 51 -0.235 2.885 -9.863 326 HB2 TYR 51 1HB TYR 51 -1.420 0.457 -8.510 327 HB3 TYR 51 2HB TYR 51 0.060 1.247 -7.981 328 HD1 TYR 51 1HD TYR 51 -0.685 4.098 -8.334 329 HD2 TYR 51 2HD TYR 51 -2.907 0.836 -6.747 330 HE1 TYR 51 1HE TYR 51 -2.004 5.667 -6.975 331 HE2 TYR 51 2HE TYR 51 -4.234 2.395 -5.384 332 HH TYR 51 HH TYR 51 -4.499 4.505 -4.733 333 H THR 52 H THR 52 -1.076 -0.358 -10.991 334 HA THR 52 HA THR 52 1.435 -1.521 -11.060 335 HB THR 52 HB THR 52 -0.814 -1.900 -13.047 336 HG1 THR 52 1HG THR 52 -1.030 -2.343 -10.621 337 HG21 THR 52 1HG2 THR 52 1.696 -3.466 -12.505 338 HG22 THR 52 2HG2 THR 52 1.097 -2.849 -14.045 339 HG23 THR 52 3HG2 THR 52 0.279 -4.198 -13.256 340 H GLN 53 H GLN 53 -0.189 0.239 -13.705 341 HA GLN 53 HA GLN 53 1.796 0.131 -15.603 342 HB2 GLN 53 1HB GLN 53 0.194 2.635 -15.137 343 HB3 GLN 53 2HB GLN 53 0.763 1.970 -16.663 344 HG2 GLN 53 1HG GLN 53 -0.786 -0.047 -15.943 345 HG3 GLN 53 2HG GLN 53 -1.590 1.223 -15.022 346 HE21 GLN 53 1HE2 GLN 53 -2.238 3.153 -16.240 347 HE22 GLN 53 2HE2 GLN 53 -2.769 2.958 -17.872 348 H ALA 54 H ALA 54 1.294 2.906 -13.415 349 HA ALA 54 HA ALA 54 3.436 4.440 -13.918 350 HB1 ALA 54 1HB ALA 54 3.522 4.577 -11.224 351 HB2 ALA 54 2HB ALA 54 2.300 5.377 -12.213 352 HB3 ALA 54 3HB ALA 54 1.944 3.824 -11.456 353 H LEU 55 H LEU 55 3.539 1.622 -11.738 354 HA LEU 55 HA LEU 55 6.278 1.761 -11.155 355 HB2 LEU 55 1HB LEU 55 4.219 -0.397 -11.055 356 HB3 LEU 55 2HB LEU 55 5.915 -0.809 -10.806 357 HG LEU 55 HG LEU 55 4.451 1.246 -9.160 358 HD11 LEU 55 1HD1 LEU 55 3.791 -0.330 -7.658 359 HD12 LEU 55 2HD1 LEU 55 5.087 -1.446 -8.086 360 HD13 LEU 55 3HD1 LEU 55 3.678 -1.287 -9.134 361 HD21 LEU 55 1HD2 LEU 55 7.052 -0.230 -8.769 362 HD22 LEU 55 2HD2 LEU 55 6.313 0.863 -7.599 363 HD23 LEU 55 3HD2 LEU 55 6.864 1.480 -9.158 364 H GLY 56 H GLY 56 4.525 0.040 -13.710 365 HA2 GLY 56 1HA GLY 56 6.504 -1.503 -14.809 366 HA3 GLY 56 2HA GLY 56 5.258 -0.709 -15.760 367 H LEU 57 H LEU 57 5.949 1.951 -15.416 368 HA LEU 57 HA LEU 57 8.080 2.189 -17.291 369 HB2 LEU 57 1HB LEU 57 6.756 4.349 -15.658 370 HB3 LEU 57 2HB LEU 57 7.723 4.579 -17.114 371 HG LEU 57 HG LEU 57 5.070 3.144 -17.018 372 HD11 LEU 57 1HD1 LEU 57 5.812 5.986 -17.555 373 HD12 LEU 57 2HD1 LEU 57 4.459 5.332 -16.631 374 HD13 LEU 57 3HD1 LEU 57 4.441 5.258 -18.393 375 HD21 LEU 57 1HD2 LEU 57 7.137 3.126 -18.930 376 HD22 LEU 57 2HD2 LEU 57 5.851 4.142 -19.583 377 HD23 LEU 57 3HD2 LEU 57 5.502 2.484 -19.092 378 H ASP 58 H ASP 58 10.047 3.396 -17.003 379 HA ASP 58 HA ASP 58 11.368 2.728 -14.534 380 HB2 ASP 58 1HB ASP 58 13.315 3.959 -15.716 381 HB3 ASP 58 2HB ASP 58 12.749 2.438 -16.398 382 H ALA 59 H ALA 59 10.179 4.037 -13.053 383 HA ALA 59 HA ALA 59 10.605 6.931 -13.282 384 HB1 ALA 59 1HB ALA 59 8.320 6.372 -12.906 385 HB2 ALA 59 2HB ALA 59 8.739 5.315 -11.557 386 HB3 ALA 59 3HB ALA 59 8.949 7.060 -11.409 387 H THR 60 H THR 60 11.224 8.119 -11.332 388 HA THR 60 HA THR 60 13.628 7.434 -10.275 389 HB THR 60 HB THR 60 13.019 8.900 -8.280 390 HG1 THR 60 1HG THR 60 10.554 8.707 -9.599 391 HG21 THR 60 1HG2 THR 60 12.575 9.949 -11.077 392 HG22 THR 60 2HG2 THR 60 14.118 9.824 -10.232 393 HG23 THR 60 3HG2 THR 60 12.888 10.950 -9.661 394 HA PRO 61 HA PRO 61 13.141 4.200 -7.345 395 HB2 PRO 61 1HB PRO 61 15.036 4.854 -5.514 396 HB3 PRO 61 2HB PRO 61 15.427 4.222 -7.118 397 HG2 PRO 61 1HG PRO 61 15.434 7.053 -6.145 398 HG3 PRO 61 2HG PRO 61 16.618 6.219 -7.168 399 HD2 PRO 61 1HD PRO 61 14.736 7.882 -8.178 400 HD3 PRO 61 2HD PRO 61 15.341 6.471 -9.070 401 H GLN 62 H GLN 62 12.701 7.490 -6.408 402 HA GLN 62 HA GLN 62 11.749 6.829 -3.747 403 HB2 GLN 62 1HB GLN 62 12.219 9.359 -5.267 404 HB3 GLN 62 2HB GLN 62 11.134 9.387 -3.884 405 HG2 GLN 62 1HG GLN 62 13.127 8.186 -2.686 406 HG3 GLN 62 2HG GLN 62 14.069 8.917 -3.984 407 HE21 GLN 62 1HE2 GLN 62 14.017 11.220 -4.203 408 HE22 GLN 62 2HE2 GLN 62 13.714 12.215 -2.824 409 H ASP 63 H ASP 63 10.466 7.659 -6.896 410 HA ASP 63 HA ASP 63 7.803 8.172 -6.087 411 HB2 ASP 63 1HB ASP 63 9.127 7.501 -8.690 412 HB3 ASP 63 2HB ASP 63 7.369 7.479 -8.582 413 H GLN 64 H GLN 64 9.418 5.248 -7.284 414 HA GLN 64 HA GLN 64 7.325 3.515 -7.524 415 HB2 GLN 64 1HB GLN 64 10.160 3.169 -6.663 416 HB3 GLN 64 2HB GLN 64 9.067 1.802 -6.499 417 HG2 GLN 64 1HG GLN 64 8.845 1.524 -8.748 418 HG3 GLN 64 2HG GLN 64 9.133 3.228 -9.099 419 HE21 GLN 64 1HE2 GLN 64 10.933 3.546 -10.170 420 HE22 GLN 64 2HE2 GLN 64 12.400 2.651 -9.999 421 H ALA 65 H ALA 65 9.251 3.808 -4.533 422 HA ALA 65 HA ALA 65 7.897 2.273 -2.805 423 HB1 ALA 65 1HB ALA 65 9.121 4.973 -2.418 424 HB2 ALA 65 2HB ALA 65 8.319 4.159 -1.075 425 HB3 ALA 65 3HB ALA 65 9.692 3.395 -1.874 426 H VAL 66 H VAL 66 6.892 5.554 -3.731 427 HA VAL 66 HA VAL 66 4.645 5.769 -2.099 428 HB VAL 66 HB VAL 66 4.984 6.920 -4.872 429 HG11 VAL 66 1HG1 VAL 66 3.334 8.028 -2.616 430 HG12 VAL 66 2HG1 VAL 66 3.318 8.493 -4.319 431 HG13 VAL 66 3HG1 VAL 66 2.670 6.928 -3.824 432 HG21 VAL 66 1HG2 VAL 66 5.447 8.853 -2.876 433 HG22 VAL 66 2HG2 VAL 66 6.398 7.434 -2.439 434 HG23 VAL 66 3HG2 VAL 66 6.606 8.179 -4.023 435 H LEU 67 H LEU 67 4.998 4.341 -5.314 436 HA LEU 67 HA LEU 67 2.222 3.799 -5.662 437 HB2 LEU 67 1HB LEU 67 4.509 2.383 -7.009 438 HB3 LEU 67 2HB LEU 67 2.859 2.574 -7.598 439 HG LEU 67 HG LEU 67 4.640 4.954 -7.196 440 HD11 LEU 67 1HD1 LEU 67 4.418 3.487 -9.804 441 HD12 LEU 67 2HD1 LEU 67 5.716 3.158 -8.657 442 HD13 LEU 67 3HD1 LEU 67 5.538 4.770 -9.348 443 HD21 LEU 67 1HD2 LEU 67 3.058 6.101 -8.324 444 HD22 LEU 67 2HD2 LEU 67 2.014 4.797 -7.755 445 HD23 LEU 67 3HD2 LEU 67 2.678 4.747 -9.389 446 H HIS 68 H HIS 68 4.982 1.923 -4.503 447 HA HIS 68 HA HIS 68 3.782 -0.583 -4.335 448 HB2 HIS 68 1HB HIS 68 5.967 0.716 -2.718 449 HB3 HIS 68 2HB HIS 68 5.453 -0.942 -2.421 450 HD1 HIS 68 1HD HIS 68 5.726 -2.600 -4.537 451 HD2 HIS 68 2HD HIS 68 7.787 1.002 -4.724 452 HE1 HIS 68 1HE HIS 68 7.470 -2.915 -6.322 453 HE2 HIS 68 2HE HIS 68 8.759 -0.752 -6.358 454 H ARG 69 H ARG 69 4.155 1.803 -1.705 455 HA ARG 69 HA ARG 69 2.692 0.512 0.239 456 HB2 ARG 69 1HB ARG 69 2.331 2.714 1.249 457 HB3 ARG 69 2HB ARG 69 3.980 2.547 0.663 458 HG2 ARG 69 1HG ARG 69 3.552 3.941 -1.205 459 HG3 ARG 69 2HG ARG 69 1.813 3.912 -0.908 460 HD2 ARG 69 1HD ARG 69 3.635 4.939 1.217 461 HD3 ARG 69 2HD ARG 69 3.274 5.965 -0.171 462 HE ARG 69 HE ARG 69 1.466 5.203 1.953 463 HH11 ARG 69 2HH1 ARG 69 1.801 6.487 -1.266 464 HH12 ARG 69 1HH1 ARG 69 0.257 7.273 -1.253 465 HH21 ARG 69 2HH2 ARG 69 -0.569 6.233 1.982 466 HH22 ARG 69 1HH2 ARG 69 -1.090 7.129 0.595 467 H ASN 70 H ASN 70 1.544 2.424 -2.474 468 HA ASN 70 HA ASN 70 -1.140 2.687 -1.665 469 HB2 ASN 70 1HB ASN 70 0.301 2.855 -4.282 470 HB3 ASN 70 2HB ASN 70 -1.459 2.809 -4.280 471 HD21 ASN 70 1HD2 ASN 70 0.079 4.964 -5.200 472 HD22 ASN 70 2HD2 ASN 70 -0.230 6.323 -4.178 473 H ARG 71 H ARG 71 0.289 0.409 -4.014 474 HA ARG 71 HA ARG 71 -1.787 -1.133 -4.712 475 HB2 ARG 71 1HB ARG 71 0.987 -1.996 -3.915 476 HB3 ARG 71 2HB ARG 71 -0.189 -3.129 -4.569 477 HG2 ARG 71 1HG ARG 71 -0.358 -1.748 -6.598 478 HG3 ARG 71 2HG ARG 71 0.877 -0.671 -5.943 479 HD2 ARG 71 1HD ARG 71 1.718 -2.381 -7.571 480 HD3 ARG 71 2HD ARG 71 2.520 -2.390 -6.001 481 HE ARG 71 HE ARG 71 1.621 -4.471 -5.573 482 HH11 ARG 71 2HH1 ARG 71 0.206 -3.120 -8.453 483 HH12 ARG 71 1HH1 ARG 71 -0.554 -4.602 -8.932 484 HH21 ARG 71 2HH2 ARG 71 0.626 -6.428 -6.193 485 HH22 ARG 71 1HH2 ARG 71 -0.315 -6.482 -7.645 486 H ALA 72 H ALA 72 0.053 -1.648 -1.702 487 HA ALA 72 HA ALA 72 -1.240 -3.761 -0.602 488 HB1 ALA 72 1HB ALA 72 0.620 -2.641 0.489 489 HB2 ALA 72 2HB ALA 72 -0.409 -1.257 0.860 490 HB3 ALA 72 3HB ALA 72 -0.734 -2.822 1.606 491 H ALA 73 H ALA 73 -2.295 -0.372 -0.245 492 HA ALA 73 HA ALA 73 -4.546 -0.685 1.262 493 HB1 ALA 73 1HB ALA 73 -5.454 1.306 0.117 494 HB2 ALA 73 2HB ALA 73 -3.762 1.494 0.582 495 HB3 ALA 73 3HB ALA 73 -4.183 1.156 -1.097 496 H CYS 74 H CYS 74 -4.335 -1.035 -2.272 497 HA CYS 74 HA CYS 74 -7.006 -1.556 -2.805 498 HB2 CYS 74 1HB CYS 74 -4.555 -2.686 -4.172 499 HB3 CYS 74 2HB CYS 74 -6.187 -2.744 -4.828 500 HG CYS 74 HG CYS 74 -3.999 -0.207 -4.762 501 H HIS 75 H HIS 75 -4.411 -3.914 -2.165 502 HA HIS 75 HA HIS 75 -6.015 -6.206 -2.247 503 HB2 HIS 75 1HB HIS 75 -3.384 -5.570 -0.947 504 HB3 HIS 75 2HB HIS 75 -4.151 -7.134 -0.687 505 HD1 HIS 75 1HD HIS 75 -4.916 -8.241 -3.197 506 HD2 HIS 75 2HD HIS 75 -1.649 -5.682 -3.001 507 HE1 HIS 75 1HE HIS 75 -3.560 -8.723 -5.259 508 HE2 HIS 75 2HE HIS 75 -1.546 -7.223 -5.076 509 H LEU 76 H LEU 76 -4.902 -4.350 0.587 510 HA LEU 76 HA LEU 76 -6.055 -5.723 2.625 511 HB2 LEU 76 1HB LEU 76 -5.879 -2.747 2.222 512 HB3 LEU 76 2HB LEU 76 -6.407 -3.480 3.735 513 HG LEU 76 HG LEU 76 -3.732 -4.127 2.533 514 HD11 LEU 76 1HD1 LEU 76 -3.596 -1.789 2.698 515 HD12 LEU 76 2HD1 LEU 76 -2.865 -2.398 4.183 516 HD13 LEU 76 3HD1 LEU 76 -4.508 -1.757 4.208 517 HD21 LEU 76 1HD2 LEU 76 -5.063 -4.434 5.194 518 HD22 LEU 76 2HD2 LEU 76 -3.305 -4.358 5.081 519 HD23 LEU 76 3HD2 LEU 76 -4.189 -5.628 4.234 520 H LYS 77 H LYS 77 -7.684 -3.320 0.579 521 HA LYS 77 HA LYS 77 -10.208 -3.567 1.859 522 HB2 LYS 77 1HB LYS 77 -9.559 -2.575 -0.923 523 HB3 LYS 77 2HB LYS 77 -11.079 -2.326 -0.074 524 HG2 LYS 77 1HG LYS 77 -8.449 -1.344 0.993 525 HG3 LYS 77 2HG LYS 77 -9.463 -0.388 -0.090 526 HD2 LYS 77 1HD LYS 77 -11.342 -0.790 1.591 527 HD3 LYS 77 2HD LYS 77 -10.080 -1.348 2.692 528 HE2 LYS 77 1HE LYS 77 -8.919 0.870 2.223 529 HE3 LYS 77 2HE LYS 77 -10.437 1.383 1.487 530 HZ1 LYS 77 1HZ LYS 77 -9.752 1.104 4.264 531 HZ2 LYS 77 2HZ LYS 77 -11.223 0.369 3.869 532 HZ3 LYS 77 3HZ LYS 77 -10.983 2.011 3.541 533 H LEU 78 H LEU 78 -8.661 -5.214 -0.818 534 HA LEU 78 HA LEU 78 -11.086 -6.636 -1.534 535 HB2 LEU 78 1HB LEU 78 -8.263 -6.948 -2.544 536 HB3 LEU 78 2HB LEU 78 -9.692 -7.723 -3.225 537 HG LEU 78 HG LEU 78 -9.581 -4.744 -3.092 538 HD11 LEU 78 1HD1 LEU 78 -8.651 -5.615 -5.631 539 HD12 LEU 78 2HD1 LEU 78 -7.601 -6.295 -4.389 540 HD13 LEU 78 3HD1 LEU 78 -7.858 -4.552 -4.468 541 HD21 LEU 78 1HD2 LEU 78 -10.621 -6.439 -5.325 542 HD22 LEU 78 2HD2 LEU 78 -11.134 -4.834 -4.803 543 HD23 LEU 78 3HD2 LEU 78 -11.558 -6.252 -3.842 544 H GLU 79 H GLU 79 -10.400 -7.088 1.108 545 HA GLU 79 HA GLU 79 -9.729 -8.685 2.633 546 HB2 GLU 79 1HB GLU 79 -11.510 -9.942 0.608 547 HB3 GLU 79 2HB GLU 79 -10.740 -11.002 1.779 548 HG2 GLU 79 1HG GLU 79 -11.730 -9.790 3.604 549 HG3 GLU 79 2HG GLU 79 -12.398 -8.596 2.493 550 H ASP 80 H ASP 80 -7.651 -8.142 0.776 551 HA ASP 80 HA ASP 80 -6.394 -10.801 0.584 552 HB2 ASP 80 1HB ASP 80 -6.972 -9.394 -1.583 553 HB3 ASP 80 2HB ASP 80 -5.481 -8.556 -1.162 554 H TYR 81 H TYR 81 -6.225 -9.426 2.936 555 HA TYR 81 HA TYR 81 -4.170 -7.605 3.273 556 HB2 TYR 81 1HB TYR 81 -4.848 -9.831 5.202 557 HB3 TYR 81 2HB TYR 81 -4.109 -8.281 5.588 558 HD1 TYR 81 1HD TYR 81 -7.237 -9.940 4.555 559 HD2 TYR 81 2HD TYR 81 -5.439 -6.315 5.871 560 HE1 TYR 81 1HE TYR 81 -9.468 -8.985 4.954 561 HE2 TYR 81 2HE TYR 81 -7.665 -5.350 6.274 562 HH TYR 81 HH TYR 81 -9.949 -5.648 5.603 563 H ASP 82 H ASP 82 -4.013 -11.143 3.193 564 HA ASP 82 HA ASP 82 -1.514 -11.751 3.943 565 HB2 ASP 82 1HB ASP 82 -2.787 -12.721 1.374 566 HB3 ASP 82 2HB ASP 82 -1.468 -13.516 2.229 567 H LYS 83 H LYS 83 -2.147 -10.964 0.521 568 HA LYS 83 HA LYS 83 0.546 -10.573 -0.154 569 HB2 LYS 83 1HB LYS 83 -1.895 -9.373 -1.475 570 HB3 LYS 83 2HB LYS 83 -0.298 -9.522 -2.197 571 HG2 LYS 83 1HG LYS 83 -0.689 -12.079 -1.625 572 HG3 LYS 83 2HG LYS 83 -2.379 -11.582 -1.739 573 HD2 LYS 83 1HD LYS 83 -1.739 -12.317 -3.903 574 HD3 LYS 83 2HD LYS 83 -1.808 -10.555 -3.969 575 HE2 LYS 83 1HE LYS 83 0.199 -10.884 -4.998 576 HE3 LYS 83 2HE LYS 83 0.749 -10.800 -3.325 577 HZ1 LYS 83 1HZ LYS 83 0.837 -12.994 -5.157 578 HZ2 LYS 83 2HZ LYS 83 0.123 -13.427 -3.686 579 HZ3 LYS 83 3HZ LYS 83 1.681 -12.767 -3.708 580 H ALA 84 H ALA 84 -1.994 -8.186 0.571 581 HA ALA 84 HA ALA 84 -0.839 -5.811 0.227 582 HB1 ALA 84 1HB ALA 84 -2.399 -6.763 2.610 583 HB2 ALA 84 2HB ALA 84 -1.898 -5.081 2.428 584 HB3 ALA 84 3HB ALA 84 -2.960 -5.820 1.229 585 H GLU 85 H GLU 85 -0.223 -7.787 3.133 586 HA GLU 85 HA GLU 85 1.550 -6.223 4.475 587 HB2 GLU 85 1HB GLU 85 0.699 -8.659 4.930 588 HB3 GLU 85 2HB GLU 85 2.201 -9.128 4.145 589 HG2 GLU 85 1HG GLU 85 3.254 -7.441 5.850 590 HG3 GLU 85 2HG GLU 85 1.768 -7.754 6.746 591 H THR 86 H THR 86 2.558 -8.685 2.095 592 HA THR 86 HA THR 86 5.241 -8.055 1.976 593 HB THR 86 HB THR 86 3.490 -9.002 -0.301 594 HG1 THR 86 1HG THR 86 4.713 -10.248 1.885 595 HG21 THR 86 1HG2 THR 86 5.433 -9.667 -1.444 596 HG22 THR 86 2HG2 THR 86 6.451 -9.439 -0.022 597 HG23 THR 86 3HG2 THR 86 5.794 -8.039 -0.870 598 H GLU 87 H GLU 87 2.617 -6.739 -0.039 599 HA GLU 87 HA GLU 87 4.074 -5.096 -1.697 600 HB2 GLU 87 1HB GLU 87 1.332 -4.753 -0.499 601 HB3 GLU 87 2HB GLU 87 1.993 -3.604 -1.654 602 HG2 GLU 87 1HG GLU 87 0.766 -4.998 -3.005 603 HG3 GLU 87 2HG GLU 87 2.382 -5.691 -3.134 604 H ALA 88 H ALA 88 2.726 -4.263 1.490 605 HA ALA 88 HA ALA 88 3.601 -1.638 1.646 606 HB1 ALA 88 1HB ALA 88 3.452 -3.573 3.952 607 HB2 ALA 88 2HB ALA 88 3.337 -1.814 4.027 608 HB3 ALA 88 3HB ALA 88 2.061 -2.749 3.247 609 H SER 89 H SER 89 5.273 -4.572 2.779 610 HA SER 89 HA SER 89 7.549 -3.434 3.826 611 HB2 SER 89 1HB SER 89 8.599 -5.549 3.594 612 HB3 SER 89 2HB SER 89 6.881 -5.901 3.781 613 HG SER 89 HG SER 89 8.530 -6.184 1.556 614 H LYS 90 H LYS 90 6.923 -4.318 0.448 615 HA LYS 90 HA LYS 90 9.376 -3.770 -0.675 616 HB2 LYS 90 1HB LYS 90 6.634 -3.231 -1.827 617 HB3 LYS 90 2HB LYS 90 8.124 -3.237 -2.761 618 HG2 LYS 90 1HG LYS 90 8.452 -5.618 -1.972 619 HG3 LYS 90 2HG LYS 90 6.789 -5.547 -1.384 620 HD2 LYS 90 1HD LYS 90 6.347 -4.671 -3.845 621 HD3 LYS 90 2HD LYS 90 7.827 -5.578 -4.171 622 HE2 LYS 90 1HE LYS 90 5.675 -6.879 -2.576 623 HE3 LYS 90 2HE LYS 90 5.452 -6.717 -4.317 624 HZ1 LYS 90 1HZ LYS 90 6.679 -8.777 -3.223 625 HZ2 LYS 90 2HZ LYS 90 8.018 -7.761 -3.411 626 HZ3 LYS 90 3HZ LYS 90 7.088 -8.192 -4.757 627 H ALA 91 H ALA 91 6.761 -1.500 0.070 628 HA ALA 91 HA ALA 91 8.030 0.784 -1.028 629 HB1 ALA 91 1HB ALA 91 5.689 0.889 -0.728 630 HB2 ALA 91 2HB ALA 91 5.814 0.463 0.979 631 HB3 ALA 91 3HB ALA 91 6.381 2.036 0.419 632 H ILE 92 H ILE 92 8.182 -0.796 2.088 633 HA ILE 92 HA ILE 92 9.450 1.345 3.475 634 HB ILE 92 HB ILE 92 9.256 -1.604 4.066 635 HG12 ILE 92 1HG1 ILE 92 8.053 0.717 5.569 636 HG13 ILE 92 2HG1 ILE 92 7.230 -0.047 4.213 637 HG21 ILE 92 1HG2 ILE 92 9.962 -0.388 6.426 638 HG22 ILE 92 2HG2 ILE 92 11.029 -1.342 5.397 639 HG23 ILE 92 3HG2 ILE 92 10.994 0.414 5.243 640 HD11 ILE 92 1HD1 ILE 92 8.044 -2.104 5.962 641 HD12 ILE 92 2HD1 ILE 92 7.296 -0.838 6.938 642 HD13 ILE 92 3HD1 ILE 92 6.408 -1.557 5.594 643 H GLU 93 H GLU 93 10.680 -1.697 2.085 644 HA GLU 93 HA GLU 93 13.379 -1.289 2.678 645 HB2 GLU 93 1HB GLU 93 13.824 -2.907 0.845 646 HB3 GLU 93 2HB GLU 93 12.590 -3.455 1.971 647 HG2 GLU 93 1HG GLU 93 10.846 -2.878 0.415 648 HG3 GLU 93 2HG GLU 93 12.024 -2.179 -0.694 649 H LYS 94 H LYS 94 11.418 -0.186 -0.024 650 HA LYS 94 HA LYS 94 13.245 0.633 -1.864 651 HB2 LYS 94 1HB LYS 94 10.653 1.799 -0.943 652 HB3 LYS 94 2HB LYS 94 11.630 2.712 -2.085 653 HG2 LYS 94 1HG LYS 94 10.850 -0.146 -2.566 654 HG3 LYS 94 2HG LYS 94 9.835 1.213 -3.053 655 HD2 LYS 94 1HD LYS 94 11.533 2.054 -4.506 656 HD3 LYS 94 2HD LYS 94 12.719 0.907 -3.876 657 HE2 LYS 94 1HE LYS 94 10.928 -0.851 -4.698 658 HE3 LYS 94 2HE LYS 94 10.458 0.472 -5.764 659 HZ1 LYS 94 1HZ LYS 94 12.646 -1.287 -6.000 660 HZ2 LYS 94 2HZ LYS 94 13.229 0.294 -5.857 661 HZ3 LYS 94 3HZ LYS 94 12.128 -0.093 -7.081 662 H ASP 95 H ASP 95 12.071 2.752 0.759 663 HA ASP 95 HA ASP 95 14.588 4.260 0.541 664 HB2 ASP 95 1HB ASP 95 12.691 5.675 0.129 665 HB3 ASP 95 2HB ASP 95 11.866 5.078 1.567 666 H GLY 96 H GLY 96 12.184 3.429 3.053 667 HA2 GLY 96 1HA GLY 96 13.067 1.994 4.901 668 HA3 GLY 96 2HA GLY 96 14.448 3.082 4.921 669 H GLY 97 H GLY 97 13.150 5.538 4.689 670 HA2 GLY 97 1HA GLY 97 11.892 5.678 7.342 671 HA3 GLY 97 2HA GLY 97 12.674 7.013 6.508 672 H ASP 98 H ASP 98 10.007 4.734 5.855 673 HA ASP 98 HA ASP 98 8.311 7.050 5.222 674 HB2 ASP 98 1HB ASP 98 9.090 6.050 3.110 675 HB3 ASP 98 2HB ASP 98 8.450 4.489 3.616 676 H VAL 99 H VAL 99 7.226 6.898 7.173 677 HA VAL 99 HA VAL 99 6.241 4.550 8.337 678 HB VAL 99 HB VAL 99 5.071 5.883 9.829 679 HG11 VAL 99 1HG1 VAL 99 7.559 6.457 9.560 680 HG12 VAL 99 2HG1 VAL 99 6.991 7.959 8.829 681 HG13 VAL 99 3HG1 VAL 99 6.549 7.563 10.490 682 HG21 VAL 99 1HG2 VAL 99 3.569 6.910 8.200 683 HG22 VAL 99 2HG2 VAL 99 4.194 8.111 9.330 684 HG23 VAL 99 3HG2 VAL 99 4.854 8.008 7.698 685 H LYS 100 H LYS 100 4.790 6.765 5.999 686 HA LYS 100 HA LYS 100 2.198 6.111 5.880 687 HB2 LYS 100 1HB LYS 100 4.077 6.257 3.517 688 HB3 LYS 100 2HB LYS 100 2.323 6.303 3.393 689 HG2 LYS 100 1HG LYS 100 3.956 8.298 4.945 690 HG3 LYS 100 2HG LYS 100 3.419 8.529 3.279 691 HD2 LYS 100 1HD LYS 100 1.092 8.340 3.999 692 HD3 LYS 100 2HD LYS 100 1.620 8.082 5.663 693 HE2 LYS 100 1HE LYS 100 1.145 10.332 5.689 694 HE3 LYS 100 2HE LYS 100 2.866 10.351 5.309 695 HZ1 LYS 100 1HZ LYS 100 2.478 10.955 3.149 696 HZ2 LYS 100 2HZ LYS 100 1.206 11.760 3.920 697 HZ3 LYS 100 3HZ LYS 100 0.917 10.302 3.112 698 H ALA 101 H ALA 101 4.826 4.049 4.726 699 HA ALA 101 HA ALA 101 3.049 1.985 3.802 700 HB1 ALA 101 1HB ALA 101 6.011 1.759 4.297 701 HB2 ALA 101 2HB ALA 101 5.011 0.756 3.244 702 HB3 ALA 101 3HB ALA 101 5.312 2.444 2.829 703 H LEU 102 H LEU 102 5.225 2.405 6.578 704 HA LEU 102 HA LEU 102 4.946 -0.056 7.787 705 HB2 LEU 102 1HB LEU 102 5.485 2.693 8.760 706 HB3 LEU 102 2HB LEU 102 5.069 1.475 9.964 707 HG LEU 102 HG LEU 102 7.254 0.923 8.000 708 HD11 LEU 102 1HD1 LEU 102 7.449 3.233 9.234 709 HD12 LEU 102 2HD1 LEU 102 8.838 2.155 9.101 710 HD13 LEU 102 3HD1 LEU 102 7.911 2.217 10.599 711 HD21 LEU 102 1HD2 LEU 102 6.366 -0.822 9.539 712 HD22 LEU 102 2HD2 LEU 102 6.906 0.166 10.897 713 HD23 LEU 102 3HD2 LEU 102 8.083 -0.481 9.754 714 H TYR 103 H TYR 103 2.849 2.787 8.121 715 HA TYR 103 HA TYR 103 1.094 1.768 10.033 716 HB2 TYR 103 1HB TYR 103 1.130 4.129 9.346 717 HB3 TYR 103 2HB TYR 103 0.481 3.683 7.771 718 HD1 TYR 103 2HD TYR 103 -0.430 2.809 11.295 719 HD2 TYR 103 1HD TYR 103 -1.704 4.375 7.549 720 HE1 TYR 103 2HE TYR 103 -2.714 3.043 12.176 721 HE2 TYR 103 1HE TYR 103 -3.991 4.615 8.421 722 HH TYR 103 HH TYR 103 -4.890 4.867 11.182 723 H ARG 104 H ARG 104 1.231 1.290 6.563 724 HA ARG 104 HA ARG 104 -1.327 0.022 6.365 725 HB2 ARG 104 1HB ARG 104 1.037 0.268 4.521 726 HB3 ARG 104 2HB ARG 104 -0.338 -0.749 4.110 727 HG2 ARG 104 1HG ARG 104 -0.627 2.157 4.809 728 HG3 ARG 104 2HG ARG 104 -0.339 1.590 3.162 729 HD2 ARG 104 1HD ARG 104 -2.407 0.589 3.003 730 HD3 ARG 104 2HD ARG 104 -2.559 0.387 4.748 731 HE ARG 104 HE ARG 104 -2.567 3.134 3.925 732 HH11 ARG 104 2HH1 ARG 104 -4.523 0.286 4.349 733 HH12 ARG 104 1HH1 ARG 104 -6.001 1.170 4.541 734 HH21 ARG 104 2HH2 ARG 104 -4.505 4.310 4.176 735 HH22 ARG 104 1HH2 ARG 104 -5.989 3.459 4.441 736 H ARG 105 H ARG 105 2.029 -1.161 6.354 737 HA ARG 105 HA ARG 105 1.633 -3.846 6.024 738 HB2 ARG 105 1HB ARG 105 3.856 -2.914 6.185 739 HB3 ARG 105 2HB ARG 105 3.588 -2.458 7.861 740 HG2 ARG 105 1HG ARG 105 3.774 -4.630 8.623 741 HG3 ARG 105 2HG ARG 105 3.393 -5.323 7.045 742 HD2 ARG 105 1HD ARG 105 5.659 -5.694 7.156 743 HD3 ARG 105 2HD ARG 105 5.608 -4.142 6.320 744 HE ARG 105 HE ARG 105 5.819 -3.364 8.863 745 HH11 ARG 105 2HH1 ARG 105 7.556 -5.780 7.056 746 HH12 ARG 105 1HH1 ARG 105 9.018 -5.598 7.967 747 HH21 ARG 105 2HH2 ARG 105 7.739 -3.115 10.070 748 HH22 ARG 105 1HH2 ARG 105 9.121 -4.083 9.682 749 H SER 106 H SER 106 1.755 -2.198 9.188 750 HA SER 106 HA SER 106 1.183 -4.267 10.860 751 HB2 SER 106 1HB SER 106 0.341 -2.673 12.436 752 HB3 SER 106 2HB SER 106 1.589 -1.853 11.499 753 HG SER 106 HG SER 106 0.113 -0.619 10.574 754 H GLN 107 H GLN 107 -1.214 -2.285 9.136 755 HA GLN 107 HA GLN 107 -3.557 -3.313 10.060 756 HB2 GLN 107 1HB GLN 107 -2.942 -2.733 7.157 757 HB3 GLN 107 2HB GLN 107 -4.544 -2.798 7.881 758 HG2 GLN 107 1HG GLN 107 -2.486 -0.889 8.909 759 HG3 GLN 107 2HG GLN 107 -3.436 -0.509 7.473 760 HE21 GLN 107 1HE2 GLN 107 -3.336 0.632 10.240 761 HE22 GLN 107 2HE2 GLN 107 -4.980 0.636 10.770 762 H ALA 108 H ALA 108 -1.596 -4.699 7.434 763 HA ALA 108 HA ALA 108 -3.257 -6.935 6.981 764 HB1 ALA 108 1HB ALA 108 -1.848 -7.317 5.303 765 HB2 ALA 108 2HB ALA 108 -0.977 -5.870 5.814 766 HB3 ALA 108 3HB ALA 108 -0.472 -7.456 6.398 767 H LEU 109 H LEU 109 -0.182 -6.666 8.768 768 HA LEU 109 HA LEU 109 0.156 -9.209 9.654 769 HB2 LEU 109 1HB LEU 109 0.595 -6.598 11.067 770 HB3 LEU 109 2HB LEU 109 1.038 -8.136 11.805 771 HG LEU 109 HG LEU 109 2.118 -7.194 9.155 772 HD11 LEU 109 1HD1 LEU 109 2.685 -5.678 11.082 773 HD12 LEU 109 2HD1 LEU 109 4.061 -6.413 10.259 774 HD13 LEU 109 3HD1 LEU 109 3.520 -7.050 11.812 775 HD21 LEU 109 1HD2 LEU 109 3.589 -8.979 9.272 776 HD22 LEU 109 2HD2 LEU 109 2.091 -9.676 9.889 777 HD23 LEU 109 3HD2 LEU 109 3.363 -9.186 11.009 778 H GLU 110 H GLU 110 -1.763 -6.741 11.373 779 HA GLU 110 HA GLU 110 -2.707 -8.291 13.445 780 HB2 GLU 110 1HB GLU 110 -3.970 -6.006 11.947 781 HB3 GLU 110 2HB GLU 110 -4.766 -6.761 13.321 782 HG2 GLU 110 1HG GLU 110 -1.963 -5.785 13.596 783 HG3 GLU 110 2HG GLU 110 -3.301 -4.640 13.652 784 H LYS 111 H LYS 111 -4.061 -7.942 10.189 785 HA LYS 111 HA LYS 111 -6.336 -9.551 10.596 786 HB2 LYS 111 1HB LYS 111 -4.847 -8.524 8.234 787 HB3 LYS 111 2HB LYS 111 -5.953 -9.865 7.969 788 HG2 LYS 111 1HG LYS 111 -7.295 -8.044 7.560 789 HG3 LYS 111 2HG LYS 111 -7.652 -8.385 9.255 790 HD2 LYS 111 1HD LYS 111 -5.950 -6.675 9.885 791 HD3 LYS 111 2HD LYS 111 -5.788 -6.273 8.174 792 HE2 LYS 111 1HE LYS 111 -8.344 -5.934 8.245 793 HE3 LYS 111 2HE LYS 111 -8.137 -5.874 9.994 794 HZ1 LYS 111 1HZ LYS 111 -8.080 -3.665 9.036 795 HZ2 LYS 111 2HZ LYS 111 -6.794 -4.100 8.027 796 HZ3 LYS 111 3HZ LYS 111 -6.574 -4.048 9.704 797 H LEU 112 H LEU 112 -3.119 -10.320 9.301 798 HA LEU 112 HA LEU 112 -3.623 -13.030 8.749 799 HB2 LEU 112 1HB LEU 112 -1.074 -11.563 9.388 800 HB3 LEU 112 2HB LEU 112 -1.122 -13.256 8.901 801 HG LEU 112 HG LEU 112 -2.294 -11.114 7.159 802 HD11 LEU 112 1HD1 LEU 112 0.425 -12.032 6.532 803 HD12 LEU 112 2HD1 LEU 112 0.294 -10.962 7.927 804 HD13 LEU 112 3HD1 LEU 112 -0.310 -10.438 6.355 805 HD21 LEU 112 1HD2 LEU 112 -1.982 -13.948 7.032 806 HD22 LEU 112 2HD2 LEU 112 -1.027 -13.205 5.748 807 HD23 LEU 112 3HD2 LEU 112 -2.753 -12.863 5.875 808 H GLY 113 H GLY 113 -2.832 -11.352 11.698 809 HA2 GLY 113 1HA GLY 113 -3.669 -12.623 13.702 810 HA3 GLY 113 2HA GLY 113 -2.691 -13.952 13.096 811 H ARG 114 H ARG 114 -0.631 -11.883 12.240 812 HA ARG 114 HA ARG 114 0.954 -12.047 14.607 813 HB2 ARG 114 1HB ARG 114 1.353 -10.771 11.912 814 HB3 ARG 114 2HB ARG 114 2.522 -10.554 13.207 815 HG2 ARG 114 1HG ARG 114 3.450 -12.350 12.187 816 HG3 ARG 114 2HG ARG 114 2.360 -13.199 13.285 817 HD2 ARG 114 1HD ARG 114 0.687 -12.885 11.248 818 HD3 ARG 114 2HD ARG 114 2.199 -12.831 10.343 819 HE ARG 114 HE ARG 114 1.002 -15.126 11.565 820 HH11 ARG 114 2HH1 ARG 114 4.016 -13.687 10.582 821 HH12 ARG 114 1HH1 ARG 114 4.834 -15.204 10.410 822 HH21 ARG 114 2HH2 ARG 114 2.069 -17.130 11.342 823 HH22 ARG 114 1HH2 ARG 114 3.726 -17.162 10.842 824 H LEU 115 H LEU 115 -0.136 -10.894 16.212 825 HA LEU 115 HA LEU 115 -0.845 -8.131 15.833 826 HB2 LEU 115 1HB LEU 115 -0.661 -9.665 18.418 827 HB3 LEU 115 2HB LEU 115 -1.552 -8.174 18.123 828 HG LEU 115 HG LEU 115 -2.210 -10.938 17.122 829 HD11 LEU 115 1HD1 LEU 115 -4.270 -10.598 18.377 830 HD12 LEU 115 2HD1 LEU 115 -3.709 -9.005 18.886 831 HD13 LEU 115 3HD1 LEU 115 -2.860 -10.453 19.426 832 HD21 LEU 115 1HD2 LEU 115 -3.107 -8.258 16.196 833 HD22 LEU 115 2HD2 LEU 115 -4.298 -9.555 16.291 834 HD23 LEU 115 3HD2 LEU 115 -2.862 -9.748 15.284 835 H ASP 116 H ASP 116 1.342 -9.690 18.184 836 HA ASP 116 HA ASP 116 2.663 -7.557 19.175 837 HB2 ASP 116 1HB ASP 116 3.765 -10.253 18.390 838 HB3 ASP 116 2HB ASP 116 4.729 -9.057 19.253 839 H GLN 117 H GLN 117 3.120 -8.958 15.987 840 HA GLN 117 HA GLN 117 5.449 -7.526 15.286 841 HB2 GLN 117 1HB GLN 117 3.272 -8.655 13.518 842 HB3 GLN 117 2HB GLN 117 4.842 -8.096 12.956 843 HG2 GLN 117 1HG GLN 117 5.672 -9.846 14.777 844 HG3 GLN 117 2HG GLN 117 4.110 -10.570 14.400 845 HE21 GLN 117 1HE2 GLN 117 7.231 -10.791 13.696 846 HE22 GLN 117 2HE2 GLN 117 7.159 -11.329 12.056 847 H ALA 118 H ALA 118 2.011 -6.898 14.626 848 HA ALA 118 HA ALA 118 2.272 -4.571 13.145 849 HB1 ALA 118 1HB ALA 118 0.025 -4.495 15.004 850 HB2 ALA 118 2HB ALA 118 0.040 -4.517 13.240 851 HB3 ALA 118 3HB ALA 118 0.174 -6.027 14.142 852 H VAL 119 H VAL 119 2.317 -5.018 16.642 853 HA VAL 119 HA VAL 119 2.224 -2.288 17.355 854 HB VAL 119 HB VAL 119 3.297 -4.700 18.810 855 HG11 VAL 119 1HG1 VAL 119 4.367 -3.357 20.218 856 HG12 VAL 119 2HG1 VAL 119 3.786 -1.926 19.364 857 HG13 VAL 119 3HG1 VAL 119 2.815 -2.641 20.651 858 HG21 VAL 119 1HG2 VAL 119 0.943 -3.067 19.642 859 HG22 VAL 119 2HG2 VAL 119 0.772 -4.216 18.315 860 HG23 VAL 119 3HG2 VAL 119 1.276 -4.778 19.909 861 H LEU 120 H LEU 120 4.990 -4.525 17.112 862 HA LEU 120 HA LEU 120 7.004 -2.696 17.687 863 HB2 LEU 120 1HB LEU 120 7.015 -5.141 15.932 864 HB3 LEU 120 2HB LEU 120 8.471 -4.237 16.342 865 HG LEU 120 HG LEU 120 6.695 -5.448 18.444 866 HD11 LEU 120 1HD1 LEU 120 9.004 -7.008 18.162 867 HD12 LEU 120 2HD1 LEU 120 8.340 -6.822 16.539 868 HD13 LEU 120 3HD1 LEU 120 7.336 -7.479 17.832 869 HD21 LEU 120 1HD2 LEU 120 8.585 -3.631 18.778 870 HD22 LEU 120 2HD2 LEU 120 9.630 -5.050 18.696 871 HD23 LEU 120 3HD2 LEU 120 8.363 -4.956 19.921 872 H ASP 121 H ASP 121 5.474 -3.486 14.600 873 HA ASP 121 HA ASP 121 7.169 -1.828 13.027 874 HB2 ASP 121 1HB ASP 121 4.390 -2.865 12.426 875 HB3 ASP 121 2HB ASP 121 5.502 -2.167 11.251 876 H LEU 122 H LEU 122 3.881 -1.407 14.314 877 HA LEU 122 HA LEU 122 3.384 1.132 13.277 878 HB2 LEU 122 1HB LEU 122 2.394 -0.329 15.696 879 HB3 LEU 122 2HB LEU 122 1.895 1.332 15.383 880 HG LEU 122 HG LEU 122 1.488 -0.892 13.396 881 HD11 LEU 122 1HD1 LEU 122 -0.212 -1.696 14.566 882 HD12 LEU 122 2HD1 LEU 122 -0.926 -0.089 14.695 883 HD13 LEU 122 3HD1 LEU 122 0.235 -0.637 15.903 884 HD21 LEU 122 1HD2 LEU 122 -0.337 0.716 12.671 885 HD22 LEU 122 2HD2 LEU 122 1.325 1.209 12.347 886 HD23 LEU 122 3HD2 LEU 122 0.445 1.910 13.706 887 H GLN 123 H GLN 123 4.735 0.228 16.444 888 HA GLN 123 HA GLN 123 5.044 2.593 17.690 889 HB2 GLN 123 1HB GLN 123 6.905 0.251 17.482 890 HB3 GLN 123 2HB GLN 123 7.377 1.670 18.407 891 HG2 GLN 123 1HG GLN 123 5.008 1.318 19.503 892 HG3 GLN 123 2HG GLN 123 5.261 -0.337 18.953 893 HE21 GLN 123 1HE2 GLN 123 5.920 -1.532 20.581 894 HE22 GLN 123 2HE2 GLN 123 7.097 -1.087 21.764 895 H ARG 124 H ARG 124 7.027 1.435 15.005 896 HA ARG 124 HA ARG 124 8.937 3.485 15.010 897 HB2 ARG 124 1HB ARG 124 7.858 1.816 12.733 898 HB3 ARG 124 2HB ARG 124 9.251 2.881 12.596 899 HG2 ARG 124 1HG ARG 124 10.573 1.542 13.943 900 HG3 ARG 124 2HG ARG 124 9.183 0.754 14.693 901 HD2 ARG 124 1HD ARG 124 8.798 -0.603 12.840 902 HD3 ARG 124 2HD ARG 124 9.729 0.440 11.765 903 HE ARG 124 HE ARG 124 11.543 -0.484 13.594 904 HH11 ARG 124 2HH1 ARG 124 9.320 -1.943 11.346 905 HH12 ARG 124 1HH1 ARG 124 10.299 -3.349 11.090 906 HH21 ARG 124 2HH2 ARG 124 12.840 -2.331 13.265 907 HH22 ARG 124 1HH2 ARG 124 12.300 -3.570 12.183 908 H CYS 125 H CYS 125 5.874 3.207 13.224 909 HA CYS 125 HA CYS 125 5.886 5.414 11.662 910 HB2 CYS 125 1HB CYS 125 3.552 4.556 13.387 911 HB3 CYS 125 2HB CYS 125 3.454 5.533 11.927 912 HG CYS 125 HG CYS 125 2.716 3.355 10.714 913 H VAL 126 H VAL 126 5.299 5.355 15.147 914 HA VAL 126 HA VAL 126 4.691 8.115 15.398 915 HB VAL 126 HB VAL 126 5.798 6.267 17.516 916 HG11 VAL 126 1HG1 VAL 126 4.231 8.835 17.736 917 HG12 VAL 126 2HG1 VAL 126 4.711 7.804 19.085 918 HG13 VAL 126 3HG1 VAL 126 5.939 8.622 18.118 919 HG21 VAL 126 1HG2 VAL 126 3.856 5.191 17.509 920 HG22 VAL 126 2HG2 VAL 126 3.000 6.709 17.775 921 HG23 VAL 126 3HG2 VAL 126 3.326 6.157 16.132 922 H SER 127 H SER 127 7.677 6.258 15.565 923 HA SER 127 HA SER 127 9.363 8.208 16.633 924 HB2 SER 127 1HB SER 127 9.804 5.696 16.066 925 HB3 SER 127 2HB SER 127 10.327 6.323 14.503 926 HG SER 127 HG SER 127 11.331 7.540 16.807 927 H LEU 128 H LEU 128 8.909 7.375 13.192 928 HA LEU 128 HA LEU 128 10.410 9.514 12.173 929 HB2 LEU 128 1HB LEU 128 8.443 7.586 11.107 930 HB3 LEU 128 2HB LEU 128 8.677 9.060 10.170 931 HG LEU 128 HG LEU 128 11.230 8.368 10.444 932 HD11 LEU 128 1HD1 LEU 128 11.043 6.428 11.740 933 HD12 LEU 128 2HD1 LEU 128 11.291 5.841 10.096 934 HD13 LEU 128 3HD1 LEU 128 9.675 5.826 10.803 935 HD21 LEU 128 1HD2 LEU 128 11.078 7.308 8.251 936 HD22 LEU 128 2HD2 LEU 128 10.054 8.742 8.337 937 HD23 LEU 128 3HD2 LEU 128 9.334 7.136 8.448 938 H GLU 129 H GLU 129 7.036 9.262 13.105 939 HA GLU 129 HA GLU 129 6.750 12.149 12.594 940 HB2 GLU 129 1HB GLU 129 4.525 10.115 12.417 941 HB3 GLU 129 2HB GLU 129 4.432 11.824 12.016 942 HG2 GLU 129 1HG GLU 129 6.295 11.239 10.295 943 HG3 GLU 129 2HG GLU 129 5.702 9.592 10.504 944 HA PRO 130 HA PRO 130 6.180 11.561 17.094 945 HB2 PRO 130 1HB PRO 130 7.111 14.028 17.739 946 HB3 PRO 130 2HB PRO 130 8.174 12.644 17.455 947 HG2 PRO 130 1HG PRO 130 7.442 14.883 15.606 948 HG3 PRO 130 2HG PRO 130 9.027 14.139 15.891 949 HD2 PRO 130 1HD PRO 130 7.494 13.525 13.745 950 HD3 PRO 130 2HD PRO 130 8.571 12.345 14.518 951 H LYS 131 H LYS 131 4.627 13.244 14.733 952 HA LYS 131 HA LYS 131 2.844 14.600 16.649 953 HB2 LYS 131 1HB LYS 131 2.153 16.006 14.681 954 HB3 LYS 131 2HB LYS 131 3.814 16.240 15.211 955 HG2 LYS 131 1HG LYS 131 4.623 14.864 13.392 956 HG3 LYS 131 2HG LYS 131 2.966 14.524 12.885 957 HD2 LYS 131 1HD LYS 131 3.454 16.236 11.454 958 HD3 LYS 131 2HD LYS 131 2.832 17.168 12.818 959 HE2 LYS 131 1HE LYS 131 5.747 16.521 12.640 960 HE3 LYS 131 2HE LYS 131 5.079 17.852 11.697 961 HZ1 LYS 131 1HZ LYS 131 5.849 18.740 13.735 962 HZ2 LYS 131 2HZ LYS 131 5.064 17.550 14.646 963 HZ3 LYS 131 3HZ LYS 131 4.160 18.725 13.830 964 H ASN 132 H ASN 132 2.946 12.736 13.634 965 HA ASN 132 HA ASN 132 0.391 12.421 12.912 966 HB2 ASN 132 1HB ASN 132 2.608 11.088 12.264 967 HB3 ASN 132 2HB ASN 132 1.864 9.857 13.280 968 HD21 ASN 132 1HD2 ASN 132 1.627 11.681 10.341 969 HD22 ASN 132 2HD2 ASN 132 0.386 10.727 9.608 970 H LYS 133 H LYS 133 -1.418 12.160 14.024 971 HA LYS 133 HA LYS 133 -1.391 10.819 16.601 972 HB2 LYS 133 1HB LYS 133 -2.689 13.007 15.855 973 HB3 LYS 133 2HB LYS 133 -3.904 11.838 15.354 974 HG2 LYS 133 1HG LYS 133 -3.481 10.914 17.802 975 HG3 LYS 133 2HG LYS 133 -2.993 12.588 18.071 976 HD2 LYS 133 1HD LYS 133 -5.237 13.117 16.822 977 HD3 LYS 133 2HD LYS 133 -5.663 11.480 17.327 978 HE2 LYS 133 1HE LYS 133 -6.431 12.666 19.125 979 HE3 LYS 133 2HE LYS 133 -4.784 12.335 19.658 980 HZ1 LYS 133 1HZ LYS 133 -6.031 14.845 19.005 981 HZ2 LYS 133 2HZ LYS 133 -4.515 14.643 18.282 982 HZ3 LYS 133 3HZ LYS 133 -4.672 14.529 19.963 983 H VAL 134 H VAL 134 -2.404 10.227 13.333 984 HA VAL 134 HA VAL 134 -4.311 8.237 13.688 985 HB VAL 134 HB VAL 134 -2.225 8.350 11.505 986 HG11 VAL 134 1HG1 VAL 134 -3.892 7.134 10.176 987 HG12 VAL 134 2HG1 VAL 134 -3.382 6.212 11.593 988 HG13 VAL 134 3HG1 VAL 134 -4.940 7.039 11.591 989 HG21 VAL 134 1HG2 VAL 134 -3.438 10.462 11.716 990 HG22 VAL 134 2HG2 VAL 134 -3.879 9.617 10.232 991 HG23 VAL 134 3HG2 VAL 134 -4.971 9.595 11.617 992 H PHE 135 H PHE 135 -0.818 8.088 13.911 993 HA PHE 135 HA PHE 135 -0.674 5.230 13.964 994 HB2 PHE 135 1HB PHE 135 1.380 7.217 14.950 995 HB3 PHE 135 2HB PHE 135 1.661 5.535 14.512 996 HD1 PHE 135 1HD PHE 135 -0.229 5.728 12.028 997 HD2 PHE 135 2HD PHE 135 3.062 8.035 13.428 998 HE1 PHE 135 1HE PHE 135 0.269 6.413 9.718 999 HE2 PHE 135 2HE PHE 135 3.565 8.725 11.120 1000 HZ PHE 135 HZ PHE 135 2.167 7.914 9.262 1001 H GLN 136 H GLN 136 -0.592 7.786 16.417 1002 HA GLN 136 HA GLN 136 -0.141 6.145 18.644 1003 HB2 GLN 136 1HB GLN 136 -1.638 8.766 18.482 1004 HB3 GLN 136 2HB GLN 136 -1.068 8.017 19.967 1005 HG2 GLN 136 1HG GLN 136 1.139 8.482 19.517 1006 HG3 GLN 136 2HG GLN 136 0.869 8.602 17.779 1007 HE21 GLN 136 1HE2 GLN 136 1.999 10.584 17.786 1008 HE22 GLN 136 2HE2 GLN 136 1.245 12.039 18.334 1009 H GLU 137 H GLU 137 -3.156 7.224 17.127 1010 HA GLU 137 HA GLU 137 -4.885 6.026 19.020 1011 HB2 GLU 137 1HB GLU 137 -6.631 6.659 17.627 1012 HB3 GLU 137 2HB GLU 137 -5.381 7.823 17.213 1013 HG2 GLU 137 1HG GLU 137 -4.854 6.674 15.205 1014 HG3 GLU 137 2HG GLU 137 -5.852 5.294 15.662 1015 H ALA 138 H ALA 138 -3.446 4.893 16.013 1016 HA ALA 138 HA ALA 138 -4.933 2.490 15.814 1017 HB1 ALA 138 1HB ALA 138 -2.306 2.247 14.665 1018 HB2 ALA 138 2HB ALA 138 -3.877 2.332 13.866 1019 HB3 ALA 138 3HB ALA 138 -3.014 3.815 14.275 1020 H LEU 139 H LEU 139 -1.811 3.282 17.282 1021 HA LEU 139 HA LEU 139 -1.133 0.623 17.991 1022 HB2 LEU 139 1HB LEU 139 0.364 2.705 17.847 1023 HB3 LEU 139 2HB LEU 139 -0.212 3.064 19.473 1024 HG LEU 139 HG LEU 139 0.634 0.572 19.892 1025 HD11 LEU 139 1HD1 LEU 139 2.082 -0.264 18.419 1026 HD12 LEU 139 2HD1 LEU 139 2.900 1.285 18.213 1027 HD13 LEU 139 3HD1 LEU 139 1.441 0.929 17.288 1028 HD21 LEU 139 1HD2 LEU 139 2.993 1.929 20.158 1029 HD22 LEU 139 2HD2 LEU 139 1.676 1.932 21.331 1030 HD23 LEU 139 3HD2 LEU 139 1.808 3.236 20.149 1031 H ARG 140 H ARG 140 -2.114 3.316 20.121 1032 HA ARG 140 HA ARG 140 -2.477 2.051 22.470 1033 HB2 ARG 140 1HB ARG 140 -4.201 4.155 21.176 1034 HB3 ARG 140 2HB ARG 140 -4.491 3.597 22.818 1035 HG2 ARG 140 1HG ARG 140 -2.090 4.219 23.312 1036 HG3 ARG 140 2HG ARG 140 -2.083 5.034 21.746 1037 HD2 ARG 140 1HD ARG 140 -3.886 6.476 22.438 1038 HD3 ARG 140 2HD ARG 140 -4.054 5.596 23.957 1039 HE ARG 140 HE ARG 140 -1.432 6.683 23.595 1040 HH11 ARG 140 2HH1 ARG 140 -4.680 7.413 24.616 1041 HH12 ARG 140 1HH1 ARG 140 -4.201 8.717 25.651 1042 HH21 ARG 140 2HH2 ARG 140 -0.789 8.398 24.954 1043 HH22 ARG 140 1HH2 ARG 140 -1.988 9.277 25.842 1044 H ASN 141 H ASN 141 -4.368 1.580 19.607 1045 HA ASN 141 HA ASN 141 -6.634 0.374 20.808 1046 HB2 ASN 141 1HB ASN 141 -5.519 0.029 18.015 1047 HB3 ASN 141 2HB ASN 141 -7.126 -0.465 18.540 1048 HD21 ASN 141 1HD2 ASN 141 -6.777 1.239 16.424 1049 HD22 ASN 141 2HD2 ASN 141 -7.351 2.813 16.848 1050 H ILE 142 H ILE 142 -3.989 -1.148 18.955 1051 HA ILE 142 HA ILE 142 -4.648 -3.758 19.935 1052 HB ILE 142 HB ILE 142 -2.818 -4.572 18.651 1053 HG12 ILE 142 1HG1 ILE 142 -1.874 -1.703 18.618 1054 HG13 ILE 142 2HG1 ILE 142 -1.050 -3.097 19.307 1055 HG21 ILE 142 1HG2 ILE 142 -3.697 -2.261 16.975 1056 HG22 ILE 142 2HG2 ILE 142 -3.488 -3.954 16.530 1057 HG23 ILE 142 3HG2 ILE 142 -4.872 -3.463 17.506 1058 HD11 ILE 142 1HD1 ILE 142 -1.476 -2.468 16.402 1059 HD12 ILE 142 2HD1 ILE 142 0.049 -2.541 17.286 1060 HD13 ILE 142 3HD1 ILE 142 -0.870 -4.016 16.988 1061 H SER 143 H SER 143 -1.993 -1.469 20.510 1062 HA SER 143 HA SER 143 -0.404 -2.950 22.190 1063 HB2 SER 143 1HB SER 143 0.121 -0.656 21.385 1064 HB3 SER 143 2HB SER 143 -1.053 -0.011 22.531 1065 HG SER 143 HG SER 143 0.560 -0.007 23.871 1066 H GLY 144 H GLY 144 -3.316 -1.108 23.023 1067 HA2 GLY 144 1HA GLY 144 -4.758 -2.225 24.715 1068 HA3 GLY 144 2HA GLY 144 -3.291 -2.456 25.654 1069 HA PRO 145 HA PRO 145 -5.509 1.523 26.862 1070 HB2 PRO 145 1HB PRO 145 -6.068 0.807 29.420 1071 HB3 PRO 145 2HB PRO 145 -7.164 0.485 28.072 1072 HG2 PRO 145 1HG PRO 145 -5.216 -1.352 29.409 1073 HG3 PRO 145 2HG PRO 145 -6.880 -1.674 28.887 1074 HD2 PRO 145 1HD PRO 145 -4.725 -2.457 27.447 1075 HD3 PRO 145 2HD PRO 145 -6.262 -1.995 26.690 1076 H SER 146 H SER 146 -4.712 3.106 28.329 1077 HA SER 146 HA SER 146 -2.217 2.425 29.721 1078 HB2 SER 146 1HB SER 146 -1.815 3.476 27.425 1079 HB3 SER 146 2HB SER 146 -2.498 4.955 28.100 1080 HG SER 146 HG SER 146 -0.235 3.545 29.077 1081 H SER 147 H SER 147 -2.109 3.220 31.721 1082 HA SER 147 HA SER 147 -2.828 4.192 33.660 1083 HB2 SER 147 1HB SER 147 -2.624 6.409 31.665 1084 HB3 SER 147 2HB SER 147 -3.298 6.767 33.255 1085 HG SER 147 HG SER 147 -1.358 6.691 34.037 1086 H GLY 148 H GLY 148 -4.872 2.792 32.384 1087 HA2 GLY 148 1HA GLY 148 -7.137 2.489 32.691 1088 HA3 GLY 148 2HA GLY 148 -7.159 3.982 33.619 Start of MODEL 7 1 H1 GLY 1 H GLY 1 31.253 8.817 37.965 2 HA2 GLY 1 1HA GLY 1 29.833 11.391 38.254 3 HA3 GLY 1 2HA GLY 1 31.058 11.148 37.016 4 H SER 2 H SER 2 29.462 11.705 35.442 5 HA SER 2 HA SER 2 27.364 9.689 35.038 6 HB2 SER 2 1HB SER 2 26.534 11.973 35.117 7 HB3 SER 2 2HB SER 2 27.681 12.464 33.870 8 HG SER 2 HG SER 2 25.513 10.654 33.590 9 H SER 3 H SER 3 29.819 11.523 33.229 10 HA SER 3 HA SER 3 31.117 10.951 31.445 11 HB2 SER 3 1HB SER 3 31.366 8.776 32.715 12 HB3 SER 3 2HB SER 3 30.050 8.136 31.730 13 HG SER 3 HG SER 3 31.928 7.593 30.705 14 H GLY 4 H GLY 4 28.664 12.093 30.959 15 HA2 GLY 4 1HA GLY 4 26.877 10.858 29.277 16 HA3 GLY 4 2HA GLY 4 27.311 12.557 29.158 17 H SER 5 H SER 5 26.619 11.467 26.868 18 HA SER 5 HA SER 5 29.171 10.946 25.489 19 HB2 SER 5 1HB SER 5 26.435 9.816 24.854 20 HB3 SER 5 2HB SER 5 27.855 9.626 23.826 21 HG SER 5 HG SER 5 27.499 7.842 25.258 22 H SER 6 H SER 6 25.830 11.792 24.571 23 HA SER 6 HA SER 6 26.503 14.395 23.666 24 HB2 SER 6 1HB SER 6 26.579 12.155 21.702 25 HB3 SER 6 2HB SER 6 25.840 13.670 21.185 26 HG SER 6 HG SER 6 27.755 14.729 21.614 27 H GLY 7 H GLY 7 24.621 15.062 21.952 28 HA2 GLY 7 1HA GLY 7 22.130 14.256 23.309 29 HA3 GLY 7 2HA GLY 7 22.396 15.810 22.533 30 H MET 8 H MET 8 20.423 15.470 21.375 31 HA MET 8 HA MET 8 20.868 14.053 18.884 32 HB2 MET 8 1HB MET 8 18.513 13.408 20.668 33 HB3 MET 8 2HB MET 8 18.699 12.862 19.006 34 HG2 MET 8 1HG MET 8 20.611 11.546 19.586 35 HG3 MET 8 2HG MET 8 20.627 12.209 21.218 36 HE1 MET 8 1HE MET 8 19.236 9.608 23.089 37 HE2 MET 8 2HE MET 8 20.393 8.994 21.909 38 HE3 MET 8 3HE MET 8 20.612 10.600 22.606 39 H THR 9 H THR 9 20.147 15.249 17.248 40 HA THR 9 HA THR 9 18.180 17.363 17.834 41 HB THR 9 HB THR 9 19.128 18.483 15.768 42 HG1 THR 9 1HG THR 9 21.450 17.680 15.499 43 HG21 THR 9 1HG2 THR 9 20.824 18.050 18.221 44 HG22 THR 9 2HG2 THR 9 19.723 19.386 17.881 45 HG23 THR 9 3HG2 THR 9 21.227 19.229 16.973 46 H VAL 10 H VAL 10 16.284 17.329 16.806 47 HA VAL 10 HA VAL 10 15.982 15.491 14.520 48 HB VAL 10 HB VAL 10 13.896 16.310 16.547 49 HG11 VAL 10 1HG1 VAL 10 13.608 15.372 13.889 50 HG12 VAL 10 2HG1 VAL 10 13.126 14.068 14.977 51 HG13 VAL 10 3HG1 VAL 10 12.353 15.649 15.096 52 HG21 VAL 10 1HG2 VAL 10 14.804 13.504 16.133 53 HG22 VAL 10 2HG2 VAL 10 15.815 14.592 17.084 54 HG23 VAL 10 3HG2 VAL 10 14.152 14.277 17.578 55 H SER 11 H SER 11 15.420 16.357 12.636 56 HA SER 11 HA SER 11 14.033 18.948 12.615 57 HB2 SER 11 1HB SER 11 16.549 18.191 11.149 58 HB3 SER 11 2HB SER 11 15.473 19.437 10.515 59 HG SER 11 HG SER 11 16.600 20.669 11.806 60 H GLY 12 H GLY 12 13.202 19.441 10.330 61 HA2 GLY 12 1HA GLY 12 12.717 17.255 8.561 62 HA3 GLY 12 2HA GLY 12 11.320 17.571 9.578 63 HA PRO 13 HA PRO 13 12.094 21.456 6.755 64 HB2 PRO 13 1HB PRO 13 13.546 20.952 4.517 65 HB3 PRO 13 2HB PRO 13 14.273 21.509 6.029 66 HG2 PRO 13 1HG PRO 13 14.108 18.735 4.917 67 HG3 PRO 13 2HG PRO 13 15.476 19.547 5.700 68 HD2 PRO 13 1HD PRO 13 13.890 17.780 7.002 69 HD3 PRO 13 2HD PRO 13 14.655 19.159 7.818 70 H GLY 14 H GLY 14 11.758 21.691 4.098 71 HA2 GLY 14 1HA GLY 14 10.306 19.620 2.835 72 HA3 GLY 14 2HA GLY 14 9.186 20.715 3.632 73 H THR 15 H THR 15 8.897 20.504 1.003 74 HA THR 15 HA THR 15 9.358 23.155 0.079 75 HB THR 15 HB THR 15 11.562 22.522 -0.476 76 HG1 THR 15 1HG THR 15 11.298 22.201 -2.909 77 HG21 THR 15 1HG2 THR 15 10.416 19.906 -0.746 78 HG22 THR 15 2HG2 THR 15 12.113 20.367 -0.608 79 HG23 THR 15 3HG2 THR 15 11.344 20.299 -2.193 80 HA PRO 16 HA PRO 16 5.794 22.048 -2.258 81 HB2 PRO 16 1HB PRO 16 5.824 24.063 -4.078 82 HB3 PRO 16 2HB PRO 16 5.364 24.301 -2.388 83 HG2 PRO 16 1HG PRO 16 7.979 24.856 -3.735 84 HG3 PRO 16 2HG PRO 16 7.094 25.845 -2.559 85 HD2 PRO 16 1HD PRO 16 9.201 24.292 -1.865 86 HD3 PRO 16 2HD PRO 16 7.844 24.606 -0.766 87 H GLU 17 H GLU 17 5.186 22.094 -4.772 88 HA GLU 17 HA GLU 17 7.414 20.960 -6.313 89 HB2 GLU 17 1HB GLU 17 6.043 19.122 -7.084 90 HB3 GLU 17 2HB GLU 17 6.096 19.111 -5.327 91 HG2 GLU 17 1HG GLU 17 3.877 18.700 -5.743 92 HG3 GLU 17 2HG GLU 17 3.884 20.446 -5.500 93 HA PRO 18 HA PRO 18 5.938 23.556 -9.541 94 HB2 PRO 18 1HB PRO 18 6.952 22.232 -11.683 95 HB3 PRO 18 2HB PRO 18 7.955 23.172 -10.573 96 HG2 PRO 18 1HG PRO 18 7.494 20.216 -10.667 97 HG3 PRO 18 2HG PRO 18 9.008 21.105 -10.418 98 HD2 PRO 18 1HD PRO 18 7.613 20.001 -8.376 99 HD3 PRO 18 2HD PRO 18 8.561 21.490 -8.189 100 H ARG 19 H ARG 19 4.638 23.516 -11.542 101 HA ARG 19 HA ARG 19 2.547 21.483 -11.340 102 HB2 ARG 19 1HB ARG 19 1.579 23.607 -11.315 103 HB3 ARG 19 2HB ARG 19 2.689 24.233 -12.528 104 HG2 ARG 19 1HG ARG 19 1.578 22.865 -14.234 105 HG3 ARG 19 2HG ARG 19 0.446 22.283 -13.011 106 HD2 ARG 19 1HD ARG 19 0.062 24.855 -12.619 107 HD3 ARG 19 2HD ARG 19 0.675 24.975 -14.268 108 HE ARG 19 HE ARG 19 -1.313 24.143 -15.014 109 HH11 ARG 19 2HH1 ARG 19 -0.972 23.366 -11.637 110 HH12 ARG 19 1HH1 ARG 19 -2.570 22.710 -11.493 111 HH21 ARG 19 2HH2 ARG 19 -3.418 23.282 -14.836 112 HH22 ARG 19 1HH2 ARG 19 -3.960 22.662 -13.313 113 HA PRO 20 HA PRO 20 3.997 19.378 -14.941 114 HB2 PRO 20 1HB PRO 20 1.745 17.956 -15.470 115 HB3 PRO 20 2HB PRO 20 2.844 17.558 -14.143 116 HG2 PRO 20 1HG PRO 20 0.257 19.062 -14.074 117 HG3 PRO 20 2HG PRO 20 0.859 17.820 -12.961 118 HD2 PRO 20 1HD PRO 20 0.977 20.465 -12.393 119 HD3 PRO 20 2HD PRO 20 2.198 19.310 -11.822 120 H ALA 21 H ALA 21 3.127 18.872 -17.214 121 HA ALA 21 HA ALA 21 1.143 20.611 -18.313 122 HB1 ALA 21 1HB ALA 21 3.501 21.883 -17.929 123 HB2 ALA 21 2HB ALA 21 3.723 21.255 -19.563 124 HB3 ALA 21 3HB ALA 21 2.345 22.293 -19.197 125 H THR 22 H THR 22 0.229 19.083 -19.543 126 HA THR 22 HA THR 22 1.505 18.169 -21.900 127 HB THR 22 HB THR 22 2.500 16.659 -20.060 128 HG1 THR 22 1HG THR 22 1.162 15.302 -22.169 129 HG21 THR 22 1HG2 THR 22 0.315 16.255 -18.931 130 HG22 THR 22 2HG2 THR 22 1.166 14.775 -19.372 131 HG23 THR 22 3HG2 THR 22 -0.196 15.331 -20.343 132 HA PRO 23 HA PRO 23 -2.761 17.882 -22.974 133 HB2 PRO 23 1HB PRO 23 -2.497 16.550 -25.325 134 HB3 PRO 23 2HB PRO 23 -2.081 18.257 -25.137 135 HG2 PRO 23 1HG PRO 23 -0.290 15.859 -25.128 136 HG3 PRO 23 2HG PRO 23 -0.053 17.429 -25.917 137 HD2 PRO 23 1HD PRO 23 1.140 16.781 -23.574 138 HD3 PRO 23 2HD PRO 23 0.654 18.441 -23.970 139 H GLY 24 H GLY 24 -0.874 14.904 -23.559 140 HA2 GLY 24 1HA GLY 24 -2.576 13.343 -21.874 141 HA3 GLY 24 2HA GLY 24 -2.918 13.062 -23.575 142 H ALA 25 H ALA 25 -0.408 12.904 -21.103 143 HA ALA 25 HA ALA 25 1.086 11.029 -22.812 144 HB1 ALA 25 1HB ALA 25 2.256 13.103 -22.015 145 HB2 ALA 25 2HB ALA 25 2.137 12.456 -20.379 146 HB3 ALA 25 3HB ALA 25 3.056 11.585 -21.606 147 H SER 26 H SER 26 0.803 8.958 -22.343 148 HA SER 26 HA SER 26 -0.533 7.991 -20.084 149 HB2 SER 26 1HB SER 26 1.408 6.446 -21.818 150 HB3 SER 26 2HB SER 26 0.104 5.779 -20.835 151 HG SER 26 HG SER 26 -1.098 7.481 -22.334 152 H SER 27 H SER 27 2.605 9.163 -20.362 153 HA SER 27 HA SER 27 4.323 7.719 -18.923 154 HB2 SER 27 1HB SER 27 3.718 10.660 -18.579 155 HB3 SER 27 2HB SER 27 5.109 9.871 -17.836 156 HG SER 27 HG SER 27 6.044 9.678 -19.745 157 H VAL 28 H VAL 28 4.705 7.074 -16.844 158 HA VAL 28 HA VAL 28 2.630 6.454 -15.159 159 HB VAL 28 HB VAL 28 4.607 5.326 -14.693 160 HG11 VAL 28 1HG1 VAL 28 6.574 6.197 -15.234 161 HG12 VAL 28 2HG1 VAL 28 5.835 7.790 -15.406 162 HG13 VAL 28 3HG1 VAL 28 6.477 7.279 -13.845 163 HG21 VAL 28 1HG2 VAL 28 4.652 5.444 -12.445 164 HG22 VAL 28 2HG2 VAL 28 5.026 7.168 -12.438 165 HG23 VAL 28 3HG2 VAL 28 3.363 6.627 -12.668 166 H GLU 29 H GLU 29 4.693 9.335 -15.074 167 HA GLU 29 HA GLU 29 3.848 10.487 -12.718 168 HB2 GLU 29 1HB GLU 29 4.417 11.974 -15.287 169 HB3 GLU 29 2HB GLU 29 4.512 12.625 -13.657 170 HG2 GLU 29 1HG GLU 29 6.180 10.264 -14.349 171 HG3 GLU 29 2HG GLU 29 6.660 11.852 -14.945 172 H GLN 30 H GLN 30 2.179 10.263 -15.772 173 HA GLN 30 HA GLN 30 0.082 12.087 -14.909 174 HB2 GLN 30 1HB GLN 30 0.525 12.384 -17.175 175 HB3 GLN 30 2HB GLN 30 0.717 10.660 -17.466 176 HG2 GLN 30 1HG GLN 30 -1.553 10.287 -17.580 177 HG3 GLN 30 2HG GLN 30 -1.943 11.737 -16.657 178 HE21 GLN 30 1HE2 GLN 30 -0.650 13.696 -17.942 179 HE22 GLN 30 2HE2 GLN 30 -1.219 13.852 -19.566 180 H LEU 31 H LEU 31 -0.034 8.842 -16.379 181 HA LEU 31 HA LEU 31 -2.524 8.059 -15.721 182 HB2 LEU 31 1HB LEU 31 -1.874 5.904 -16.091 183 HB3 LEU 31 2HB LEU 31 -0.518 6.773 -16.806 184 HG LEU 31 HG LEU 31 0.627 6.437 -14.524 185 HD11 LEU 31 1HD1 LEU 31 -0.463 5.338 -12.941 186 HD12 LEU 31 2HD1 LEU 31 -0.644 3.947 -14.009 187 HD13 LEU 31 3HD1 LEU 31 -1.870 5.215 -13.998 188 HD21 LEU 31 1HD2 LEU 31 1.019 5.244 -16.778 189 HD22 LEU 31 2HD2 LEU 31 0.172 3.889 -16.032 190 HD23 LEU 31 3HD2 LEU 31 1.657 4.508 -15.308 191 H ARG 32 H ARG 32 0.085 8.568 -13.503 192 HA ARG 32 HA ARG 32 -0.528 7.087 -11.307 193 HB2 ARG 32 1HB ARG 32 1.275 8.910 -11.633 194 HB3 ARG 32 2HB ARG 32 0.059 10.020 -11.014 195 HG2 ARG 32 1HG ARG 32 0.760 7.549 -9.487 196 HG3 ARG 32 2HG ARG 32 1.781 8.986 -9.392 197 HD2 ARG 32 1HD ARG 32 -0.555 10.162 -8.973 198 HD3 ARG 32 2HD ARG 32 -0.992 8.547 -8.415 199 HE ARG 32 HE ARG 32 0.169 8.998 -6.514 200 HH11 ARG 32 2HH1 ARG 32 1.500 10.931 -9.086 201 HH12 ARG 32 1HH1 ARG 32 2.651 11.729 -8.066 202 HH21 ARG 32 2HH2 ARG 32 1.679 10.042 -5.161 203 HH22 ARG 32 1HH2 ARG 32 2.752 11.222 -5.834 204 H LYS 33 H LYS 33 -2.106 10.101 -12.303 205 HA LYS 33 HA LYS 33 -3.805 10.423 -10.118 206 HB2 LYS 33 1HB LYS 33 -4.196 11.166 -13.020 207 HB3 LYS 33 2HB LYS 33 -5.268 11.688 -11.727 208 HG2 LYS 33 1HG LYS 33 -2.322 12.254 -11.674 209 HG3 LYS 33 2HG LYS 33 -3.473 13.317 -12.487 210 HD2 LYS 33 1HD LYS 33 -4.647 13.717 -10.435 211 HD3 LYS 33 2HD LYS 33 -3.692 12.494 -9.594 212 HE2 LYS 33 1HE LYS 33 -1.771 13.819 -9.604 213 HE3 LYS 33 2HE LYS 33 -2.381 14.857 -10.891 214 HZ1 LYS 33 1HZ LYS 33 -2.514 15.320 -8.177 215 HZ2 LYS 33 2HZ LYS 33 -4.097 14.942 -8.636 216 HZ3 LYS 33 3HZ LYS 33 -3.276 16.208 -9.399 217 H GLU 34 H GLU 34 -4.260 8.572 -13.103 218 HA GLU 34 HA GLU 34 -6.883 7.835 -12.924 219 HB2 GLU 34 1HB GLU 34 -5.246 7.178 -14.718 220 HB3 GLU 34 2HB GLU 34 -4.661 5.919 -13.639 221 HG2 GLU 34 1HG GLU 34 -6.154 4.820 -15.035 222 HG3 GLU 34 2HG GLU 34 -7.080 5.107 -13.564 223 H GLY 35 H GLY 35 -4.148 6.396 -11.188 224 HA2 GLY 35 1HA GLY 35 -5.620 4.329 -9.937 225 HA3 GLY 35 2HA GLY 35 -4.069 4.957 -9.399 226 H ASN 36 H ASN 36 -4.365 7.338 -8.483 227 HA ASN 36 HA ASN 36 -5.649 7.123 -6.045 228 HB2 ASN 36 1HB ASN 36 -4.815 9.542 -7.642 229 HB3 ASN 36 2HB ASN 36 -5.508 9.680 -6.029 230 HD21 ASN 36 1HD2 ASN 36 -2.700 9.507 -7.718 231 HD22 ASN 36 2HD2 ASN 36 -1.640 8.968 -6.464 232 H GLU 37 H GLU 37 -6.763 9.043 -8.841 233 HA GLU 37 HA GLU 37 -9.135 9.986 -7.971 234 HB2 GLU 37 1HB GLU 37 -8.359 8.860 -10.642 235 HB3 GLU 37 2HB GLU 37 -9.988 9.461 -10.371 236 HG2 GLU 37 1HG GLU 37 -8.989 11.632 -9.661 237 HG3 GLU 37 2HG GLU 37 -7.418 11.006 -10.159 238 H LEU 38 H LEU 38 -8.564 6.686 -9.130 239 HA LEU 38 HA LEU 38 -11.256 5.829 -8.811 240 HB2 LEU 38 1HB LEU 38 -8.643 4.383 -9.115 241 HB3 LEU 38 2HB LEU 38 -10.160 3.519 -8.873 242 HG LEU 38 HG LEU 38 -9.795 5.455 -11.141 243 HD11 LEU 38 1HD1 LEU 38 -8.563 2.840 -10.789 244 HD12 LEU 38 2HD1 LEU 38 -8.241 4.096 -11.983 245 HD13 LEU 38 3HD1 LEU 38 -9.557 2.952 -12.241 246 HD21 LEU 38 1HD2 LEU 38 -11.469 3.034 -11.332 247 HD22 LEU 38 2HD2 LEU 38 -11.770 4.675 -11.906 248 HD23 LEU 38 3HD2 LEU 38 -12.023 4.274 -10.207 249 H PHE 39 H PHE 39 -8.465 5.947 -6.711 250 HA PHE 39 HA PHE 39 -9.490 4.222 -4.695 251 HB2 PHE 39 1HB PHE 39 -7.052 4.995 -5.090 252 HB3 PHE 39 2HB PHE 39 -7.511 6.426 -4.174 253 HD1 PHE 39 1HD PHE 39 -7.347 2.727 -3.993 254 HD2 PHE 39 2HD PHE 39 -7.519 6.397 -1.843 255 HE1 PHE 39 1HE PHE 39 -6.915 1.515 -1.895 256 HE2 PHE 39 2HE PHE 39 -7.087 5.191 0.257 257 HZ PHE 39 HZ PHE 39 -6.783 2.747 0.233 258 H LYS 40 H LYS 40 -9.293 7.766 -4.957 259 HA LYS 40 HA LYS 40 -10.608 8.350 -2.550 260 HB2 LYS 40 1HB LYS 40 -11.040 10.584 -3.594 261 HB3 LYS 40 2HB LYS 40 -9.360 10.069 -3.660 262 HG2 LYS 40 1HG LYS 40 -9.895 9.224 -6.009 263 HG3 LYS 40 2HG LYS 40 -11.370 10.186 -5.880 264 HD2 LYS 40 1HD LYS 40 -9.793 11.576 -6.951 265 HD3 LYS 40 2HD LYS 40 -9.868 12.143 -5.282 266 HE2 LYS 40 1HE LYS 40 -7.828 11.024 -4.738 267 HE3 LYS 40 2HE LYS 40 -7.804 10.197 -6.295 268 HZ1 LYS 40 1HZ LYS 40 -6.569 12.561 -5.697 269 HZ2 LYS 40 2HZ LYS 40 -7.924 13.032 -6.593 270 HZ3 LYS 40 3HZ LYS 40 -6.820 11.929 -7.246 271 H CYS 41 H CYS 41 -11.807 6.886 -5.302 272 HA CYS 41 HA CYS 41 -14.546 7.831 -4.813 273 HB2 CYS 41 1HB CYS 41 -13.341 7.740 -7.171 274 HB3 CYS 41 2HB CYS 41 -13.863 6.060 -7.119 275 HG CYS 41 HG CYS 41 -16.574 6.653 -6.902 276 H GLY 42 H GLY 42 -12.448 5.143 -4.439 277 HA2 GLY 42 1HA GLY 42 -13.180 3.453 -2.824 278 HA3 GLY 42 2HA GLY 42 -14.754 3.496 -3.603 279 H ASP 43 H ASP 43 -13.754 3.518 -6.298 280 HA ASP 43 HA ASP 43 -13.712 0.822 -6.884 281 HB2 ASP 43 1HB ASP 43 -14.062 2.777 -8.479 282 HB3 ASP 43 2HB ASP 43 -12.307 2.894 -8.569 283 H TYR 44 H TYR 44 -12.308 -0.375 -5.640 284 HA TYR 44 HA TYR 44 -9.507 0.276 -5.492 285 HB2 TYR 44 1HB TYR 44 -10.843 -2.298 -4.650 286 HB3 TYR 44 2HB TYR 44 -9.298 -1.664 -4.096 287 HD1 TYR 44 1HD TYR 44 -9.675 0.967 -3.241 288 HD2 TYR 44 2HD TYR 44 -12.463 -2.239 -3.020 289 HE1 TYR 44 1HE TYR 44 -10.803 2.085 -1.363 290 HE2 TYR 44 2HE TYR 44 -13.599 -1.129 -1.142 291 HH TYR 44 HH TYR 44 -13.054 0.532 0.616 292 H GLY 45 H GLY 45 -11.474 -2.230 -7.063 293 HA2 GLY 45 1HA GLY 45 -9.521 -3.815 -8.168 294 HA3 GLY 45 2HA GLY 45 -11.060 -3.482 -8.948 295 H GLY 46 H GLY 46 -10.503 -0.606 -9.183 296 HA2 GLY 46 1HA GLY 46 -8.885 -0.781 -11.605 297 HA3 GLY 46 2HA GLY 46 -9.909 0.566 -11.132 298 H ALA 47 H ALA 47 -9.048 1.368 -8.763 299 HA ALA 47 HA ALA 47 -6.922 2.985 -9.157 300 HB1 ALA 47 1HB ALA 47 -6.939 3.439 -6.915 301 HB2 ALA 47 2HB ALA 47 -8.504 2.641 -7.083 302 HB3 ALA 47 3HB ALA 47 -7.119 1.744 -6.459 303 H LEU 48 H LEU 48 -6.767 -0.371 -8.050 304 HA LEU 48 HA LEU 48 -3.969 -0.411 -7.604 305 HB2 LEU 48 1HB LEU 48 -5.656 -2.036 -6.698 306 HB3 LEU 48 2HB LEU 48 -5.726 -2.753 -8.307 307 HG LEU 48 HG LEU 48 -4.243 -3.823 -6.451 308 HD11 LEU 48 1HD1 LEU 48 -3.314 -5.002 -8.116 309 HD12 LEU 48 2HD1 LEU 48 -2.642 -3.569 -8.894 310 HD13 LEU 48 3HD1 LEU 48 -4.330 -4.007 -9.159 311 HD21 LEU 48 1HD2 LEU 48 -3.107 -1.542 -6.096 312 HD22 LEU 48 2HD2 LEU 48 -2.211 -1.922 -7.567 313 HD23 LEU 48 3HD2 LEU 48 -2.091 -2.982 -6.162 314 H ALA 49 H ALA 49 -5.990 -1.313 -10.368 315 HA ALA 49 HA ALA 49 -4.068 -2.441 -12.013 316 HB1 ALA 49 1HB ALA 49 -6.178 -2.669 -12.868 317 HB2 ALA 49 2HB ALA 49 -6.626 -1.002 -12.507 318 HB3 ALA 49 3HB ALA 49 -5.572 -1.355 -13.877 319 H ALA 50 H ALA 50 -4.967 0.979 -11.677 320 HA ALA 50 HA ALA 50 -3.221 1.979 -13.644 321 HB1 ALA 50 1HB ALA 50 -4.600 3.669 -13.145 322 HB2 ALA 50 2HB ALA 50 -4.878 3.085 -11.504 323 HB3 ALA 50 3HB ALA 50 -3.442 4.041 -11.868 324 H TYR 51 H TYR 51 -2.834 1.732 -10.113 325 HA TYR 51 HA TYR 51 -0.305 2.846 -9.894 326 HB2 TYR 51 1HB TYR 51 -1.653 0.682 -8.282 327 HB3 TYR 51 2HB TYR 51 -0.090 1.359 -7.842 328 HD1 TYR 51 1HD TYR 51 -0.465 4.211 -8.422 329 HD2 TYR 51 2HD TYR 51 -3.132 1.414 -6.643 330 HE1 TYR 51 1HE TYR 51 -1.591 6.048 -7.237 331 HE2 TYR 51 2HE TYR 51 -4.266 3.243 -5.454 332 HH TYR 51 HH TYR 51 -3.785 5.524 -4.697 333 H THR 52 H THR 52 -1.257 -0.409 -10.810 334 HA THR 52 HA THR 52 1.202 -1.702 -10.635 335 HB THR 52 HB THR 52 -0.923 -2.188 -12.731 336 HG1 THR 52 1HG THR 52 -0.717 -2.873 -10.008 337 HG21 THR 52 1HG2 THR 52 1.285 -3.289 -13.109 338 HG22 THR 52 2HG2 THR 52 -0.042 -4.423 -12.857 339 HG23 THR 52 3HG2 THR 52 1.098 -4.095 -11.552 340 H GLN 53 H GLN 53 -0.257 -0.201 -13.528 341 HA GLN 53 HA GLN 53 1.892 -0.539 -15.249 342 HB2 GLN 53 1HB GLN 53 0.242 1.956 -15.379 343 HB3 GLN 53 2HB GLN 53 0.825 0.938 -16.690 344 HG2 GLN 53 1HG GLN 53 -0.778 -0.831 -15.604 345 HG3 GLN 53 2HG GLN 53 -1.557 0.606 -14.943 346 HE21 GLN 53 1HE2 GLN 53 -2.036 2.332 -16.576 347 HE22 GLN 53 2HE2 GLN 53 -2.633 1.815 -18.113 348 H ALA 54 H ALA 54 1.160 2.230 -13.142 349 HA ALA 54 HA ALA 54 3.138 3.979 -13.782 350 HB1 ALA 54 1HB ALA 54 1.346 4.090 -11.924 351 HB2 ALA 54 2HB ALA 54 2.603 3.405 -10.893 352 HB3 ALA 54 3HB ALA 54 2.867 4.954 -11.694 353 H LEU 55 H LEU 55 3.484 1.285 -11.474 354 HA LEU 55 HA LEU 55 6.230 1.701 -10.978 355 HB2 LEU 55 1HB LEU 55 4.349 -0.588 -10.583 356 HB3 LEU 55 2HB LEU 55 6.076 -0.812 -10.314 357 HG LEU 55 HG LEU 55 4.439 1.283 -8.896 358 HD11 LEU 55 1HD1 LEU 55 3.815 -0.173 -7.304 359 HD12 LEU 55 2HD1 LEU 55 5.310 -1.100 -7.415 360 HD13 LEU 55 3HD1 LEU 55 4.017 -1.371 -8.583 361 HD21 LEU 55 1HD2 LEU 55 6.352 1.172 -7.305 362 HD22 LEU 55 2HD2 LEU 55 6.781 1.781 -8.904 363 HD23 LEU 55 3HD2 LEU 55 7.186 0.124 -8.453 364 H GLY 56 H GLY 56 4.504 -0.350 -13.289 365 HA2 GLY 56 1HA GLY 56 6.579 -1.871 -14.287 366 HA3 GLY 56 2HA GLY 56 5.215 -1.319 -15.248 367 H LEU 57 H LEU 57 5.711 1.449 -15.157 368 HA LEU 57 HA LEU 57 7.736 1.632 -17.183 369 HB2 LEU 57 1HB LEU 57 6.236 3.873 -15.843 370 HB3 LEU 57 2HB LEU 57 7.083 3.933 -17.387 371 HG LEU 57 HG LEU 57 4.624 2.268 -16.853 372 HD11 LEU 57 1HD1 LEU 57 3.719 4.364 -16.777 373 HD12 LEU 57 2HD1 LEU 57 3.712 4.089 -18.519 374 HD13 LEU 57 3HD1 LEU 57 4.982 5.069 -17.787 375 HD21 LEU 57 1HD2 LEU 57 4.905 1.399 -18.882 376 HD22 LEU 57 2HD2 LEU 57 6.536 2.069 -18.853 377 HD23 LEU 57 3HD2 LEU 57 5.221 2.982 -19.593 378 H ASP 58 H ASP 58 9.696 2.685 -17.093 379 HA ASP 58 HA ASP 58 11.049 2.667 -14.603 380 HB2 ASP 58 1HB ASP 58 12.970 3.459 -15.825 381 HB3 ASP 58 2HB ASP 58 12.133 2.269 -16.819 382 H ALA 59 H ALA 59 9.920 4.055 -13.215 383 HA ALA 59 HA ALA 59 10.014 6.916 -13.890 384 HB1 ALA 59 1HB ALA 59 7.872 5.546 -13.082 385 HB2 ALA 59 2HB ALA 59 8.520 5.999 -11.505 386 HB3 ALA 59 3HB ALA 59 8.121 7.247 -12.686 387 H THR 60 H THR 60 10.286 8.341 -11.867 388 HA THR 60 HA THR 60 12.859 8.054 -10.875 389 HB THR 60 HB THR 60 11.856 9.621 -8.963 390 HG1 THR 60 1HG THR 60 9.667 9.107 -9.829 391 HG21 THR 60 1HG2 THR 60 12.523 11.445 -10.241 392 HG22 THR 60 2HG2 THR 60 11.916 10.743 -11.741 393 HG23 THR 60 3HG2 THR 60 13.387 10.110 -11.003 394 HA PRO 61 HA PRO 61 12.700 5.263 -7.492 395 HB2 PRO 61 1HB PRO 61 14.400 6.423 -5.721 396 HB3 PRO 61 2HB PRO 61 14.948 5.640 -7.208 397 HG2 PRO 61 1HG PRO 61 14.523 8.549 -6.645 398 HG3 PRO 61 2HG PRO 61 15.856 7.760 -7.507 399 HD2 PRO 61 1HD PRO 61 13.813 8.987 -8.793 400 HD3 PRO 61 2HD PRO 61 14.646 7.568 -9.459 401 H GLN 62 H GLN 62 11.658 8.500 -7.116 402 HA GLN 62 HA GLN 62 10.756 8.145 -4.378 403 HB2 GLN 62 1HB GLN 62 11.641 10.333 -5.539 404 HB3 GLN 62 2HB GLN 62 9.972 10.481 -6.073 405 HG2 GLN 62 1HG GLN 62 9.173 10.607 -3.852 406 HG3 GLN 62 2HG GLN 62 10.734 10.121 -3.192 407 HE21 GLN 62 1HE2 GLN 62 9.015 12.534 -2.809 408 HE22 GLN 62 2HE2 GLN 62 10.065 13.874 -3.108 409 H ASP 63 H ASP 63 9.515 7.931 -7.603 410 HA ASP 63 HA ASP 63 6.742 8.013 -6.779 411 HB2 ASP 63 1HB ASP 63 8.168 7.650 -9.392 412 HB3 ASP 63 2HB ASP 63 6.464 7.226 -9.258 413 H GLN 64 H GLN 64 9.180 5.619 -7.505 414 HA GLN 64 HA GLN 64 7.533 3.379 -7.852 415 HB2 GLN 64 1HB GLN 64 10.378 3.810 -7.077 416 HB3 GLN 64 2HB GLN 64 9.685 2.215 -6.813 417 HG2 GLN 64 1HG GLN 64 9.436 1.797 -9.051 418 HG3 GLN 64 2HG GLN 64 9.344 3.507 -9.471 419 HE21 GLN 64 1HE2 GLN 64 10.969 3.949 -10.775 420 HE22 GLN 64 2HE2 GLN 64 12.615 3.479 -10.544 421 H ALA 65 H ALA 65 8.653 5.016 -4.971 422 HA ALA 65 HA ALA 65 7.837 2.943 -3.161 423 HB1 ALA 65 1HB ALA 65 8.278 4.630 -1.409 424 HB2 ALA 65 2HB ALA 65 9.630 4.425 -2.524 425 HB3 ALA 65 3HB ALA 65 8.569 5.827 -2.672 426 H VAL 66 H VAL 66 6.676 6.305 -3.462 427 HA VAL 66 HA VAL 66 4.429 6.267 -2.004 428 HB VAL 66 HB VAL 66 5.146 8.217 -3.319 429 HG11 VAL 66 1HG1 VAL 66 4.519 8.429 -5.667 430 HG12 VAL 66 2HG1 VAL 66 5.615 7.067 -5.427 431 HG13 VAL 66 3HG1 VAL 66 3.889 6.782 -5.656 432 HG21 VAL 66 1HG2 VAL 66 3.123 8.942 -2.747 433 HG22 VAL 66 2HG2 VAL 66 2.545 8.402 -4.324 434 HG23 VAL 66 3HG2 VAL 66 2.434 7.328 -2.929 435 H LEU 67 H LEU 67 4.889 4.579 -5.020 436 HA LEU 67 HA LEU 67 2.098 3.901 -5.313 437 HB2 LEU 67 1HB LEU 67 4.563 2.936 -6.753 438 HB3 LEU 67 2HB LEU 67 2.916 2.468 -7.171 439 HG LEU 67 HG LEU 67 3.651 5.362 -7.145 440 HD11 LEU 67 1HD1 LEU 67 5.388 4.010 -8.433 441 HD12 LEU 67 2HD1 LEU 67 4.573 5.315 -9.295 442 HD13 LEU 67 3HD1 LEU 67 4.086 3.641 -9.565 443 HD21 LEU 67 1HD2 LEU 67 2.054 4.540 -9.337 444 HD22 LEU 67 2HD2 LEU 67 1.592 5.529 -7.952 445 HD23 LEU 67 3HD2 LEU 67 1.412 3.775 -7.883 446 H HIS 68 H HIS 68 5.090 2.184 -4.463 447 HA HIS 68 HA HIS 68 4.070 -0.364 -4.120 448 HB2 HIS 68 1HB HIS 68 6.370 1.129 -2.950 449 HB3 HIS 68 2HB HIS 68 5.926 -0.410 -2.218 450 HD1 HIS 68 1HD HIS 68 5.502 -2.305 -4.364 451 HD2 HIS 68 2HD HIS 68 8.323 0.720 -4.754 452 HE1 HIS 68 1HE HIS 68 7.096 -3.097 -6.141 453 HE2 HIS 68 2HE HIS 68 8.842 -1.289 -6.299 454 H ARG 69 H ARG 69 4.303 2.241 -1.708 455 HA ARG 69 HA ARG 69 3.106 0.783 0.395 456 HB2 ARG 69 1HB ARG 69 2.881 2.936 1.518 457 HB3 ARG 69 2HB ARG 69 4.465 2.795 0.768 458 HG2 ARG 69 1HG ARG 69 3.947 4.907 0.127 459 HG3 ARG 69 2HG ARG 69 3.225 4.026 -1.221 460 HD2 ARG 69 1HD ARG 69 1.062 4.047 0.038 461 HD3 ARG 69 2HD ARG 69 1.827 5.110 1.219 462 HE ARG 69 HE ARG 69 2.176 6.240 -1.307 463 HH11 ARG 69 2HH1 ARG 69 -0.404 5.492 0.907 464 HH12 ARG 69 1HH1 ARG 69 -1.419 6.787 0.366 465 HH21 ARG 69 2HH2 ARG 69 0.848 7.949 -2.028 466 HH22 ARG 69 1HH2 ARG 69 -0.707 8.184 -1.304 467 H ASN 70 H ASN 70 1.810 2.430 -2.341 468 HA ASN 70 HA ASN 70 -0.835 2.765 -1.256 469 HB2 ASN 70 1HB ASN 70 0.390 4.068 -3.204 470 HB3 ASN 70 2HB ASN 70 -0.305 2.791 -4.198 471 HD21 ASN 70 1HD2 ASN 70 -0.786 5.824 -3.332 472 HD22 ASN 70 2HD2 ASN 70 -2.512 5.901 -3.331 473 H ARG 71 H ARG 71 0.654 0.620 -3.674 474 HA ARG 71 HA ARG 71 -1.435 -0.868 -4.526 475 HB2 ARG 71 1HB ARG 71 1.400 -1.547 -3.914 476 HB3 ARG 71 2HB ARG 71 0.297 -2.874 -4.253 477 HG2 ARG 71 1HG ARG 71 -0.328 -1.593 -6.366 478 HG3 ARG 71 2HG ARG 71 1.103 -0.611 -6.046 479 HD2 ARG 71 1HD ARG 71 2.014 -2.214 -7.398 480 HD3 ARG 71 2HD ARG 71 2.254 -2.969 -5.823 481 HE ARG 71 HE ARG 71 -0.210 -3.827 -6.728 482 HH11 ARG 71 2HH1 ARG 71 3.106 -4.026 -7.769 483 HH12 ARG 71 1HH1 ARG 71 2.899 -5.547 -8.573 484 HH21 ARG 71 2HH2 ARG 71 -0.495 -5.830 -7.783 485 HH22 ARG 71 1HH2 ARG 71 0.850 -6.571 -8.581 486 H ALA 72 H ALA 72 0.350 -1.467 -1.504 487 HA ALA 72 HA ALA 72 -0.940 -3.679 -0.557 488 HB1 ALA 72 1HB ALA 72 0.470 -1.422 0.661 489 HB2 ALA 72 2HB ALA 72 -0.669 -2.233 1.737 490 HB3 ALA 72 3HB ALA 72 0.621 -3.153 0.962 491 H ALA 73 H ALA 73 -2.005 -0.307 -0.173 492 HA ALA 73 HA ALA 73 -4.228 -0.630 1.390 493 HB1 ALA 73 1HB ALA 73 -5.006 1.427 0.583 494 HB2 ALA 73 2HB ALA 73 -3.254 1.511 0.401 495 HB3 ALA 73 3HB ALA 73 -4.271 1.183 -1.002 496 H CYS 74 H CYS 74 -4.427 -0.450 -2.170 497 HA CYS 74 HA CYS 74 -6.984 -1.171 -2.598 498 HB2 CYS 74 1HB CYS 74 -4.557 -2.129 -4.123 499 HB3 CYS 74 2HB CYS 74 -6.209 -2.313 -4.700 500 HG CYS 74 HG CYS 74 -4.200 0.305 -4.883 501 H HIS 75 H HIS 75 -4.333 -3.476 -2.058 502 HA HIS 75 HA HIS 75 -5.844 -5.821 -2.260 503 HB2 HIS 75 1HB HIS 75 -3.287 -5.150 -0.823 504 HB3 HIS 75 2HB HIS 75 -3.994 -6.760 -0.719 505 HD1 HIS 75 1HD HIS 75 -4.713 -7.519 -3.451 506 HD2 HIS 75 2HD HIS 75 -1.344 -5.212 -2.684 507 HE1 HIS 75 1HE HIS 75 -3.218 -7.828 -5.449 508 HE2 HIS 75 2HE HIS 75 -1.149 -6.491 -4.924 509 H LEU 76 H LEU 76 -4.888 -4.018 0.663 510 HA LEU 76 HA LEU 76 -6.052 -5.516 2.614 511 HB2 LEU 76 1HB LEU 76 -5.973 -2.518 2.357 512 HB3 LEU 76 2HB LEU 76 -6.459 -3.357 3.828 513 HG LEU 76 HG LEU 76 -3.745 -3.612 2.537 514 HD11 LEU 76 1HD1 LEU 76 -2.926 -2.160 4.280 515 HD12 LEU 76 2HD1 LEU 76 -4.547 -2.000 4.955 516 HD13 LEU 76 3HD1 LEU 76 -4.184 -1.329 3.365 517 HD21 LEU 76 1HD2 LEU 76 -4.710 -4.440 5.272 518 HD22 LEU 76 2HD2 LEU 76 -3.104 -4.697 4.590 519 HD23 LEU 76 3HD2 LEU 76 -4.497 -5.534 3.905 520 H LYS 77 H LYS 77 -7.683 -3.016 0.680 521 HA LYS 77 HA LYS 77 -10.225 -3.339 1.857 522 HB2 LYS 77 1HB LYS 77 -9.590 -2.378 -0.938 523 HB3 LYS 77 2HB LYS 77 -11.074 -2.079 -0.043 524 HG2 LYS 77 1HG LYS 77 -8.455 -1.182 1.074 525 HG3 LYS 77 2HG LYS 77 -9.256 -0.238 -0.184 526 HD2 LYS 77 1HD LYS 77 -11.177 0.099 1.175 527 HD3 LYS 77 2HD LYS 77 -10.629 -1.091 2.358 528 HE2 LYS 77 1HE LYS 77 -9.049 1.388 1.741 529 HE3 LYS 77 2HE LYS 77 -10.338 1.380 2.942 530 HZ1 LYS 77 1HZ LYS 77 -8.793 -0.806 3.539 531 HZ2 LYS 77 2HZ LYS 77 -8.821 0.665 4.373 532 HZ3 LYS 77 3HZ LYS 77 -7.674 0.404 3.157 533 H LEU 78 H LEU 78 -8.583 -5.013 -0.734 534 HA LEU 78 HA LEU 78 -10.997 -6.508 -1.416 535 HB2 LEU 78 1HB LEU 78 -8.234 -6.671 -2.610 536 HB3 LEU 78 2HB LEU 78 -9.692 -7.436 -3.239 537 HG LEU 78 HG LEU 78 -9.622 -4.466 -2.969 538 HD11 LEU 78 1HD1 LEU 78 -7.776 -4.357 -4.228 539 HD12 LEU 78 2HD1 LEU 78 -8.833 -4.858 -5.548 540 HD13 LEU 78 3HD1 LEU 78 -7.869 -6.058 -4.686 541 HD21 LEU 78 1HD2 LEU 78 -10.707 -5.751 -5.361 542 HD22 LEU 78 2HD2 LEU 78 -11.427 -4.548 -4.290 543 HD23 LEU 78 3HD2 LEU 78 -11.482 -6.258 -3.859 544 H GLU 79 H GLU 79 -10.146 -6.985 1.160 545 HA GLU 79 HA GLU 79 -9.281 -8.566 2.603 546 HB2 GLU 79 1HB GLU 79 -11.069 -9.903 0.633 547 HB3 GLU 79 2HB GLU 79 -10.173 -10.926 1.746 548 HG2 GLU 79 1HG GLU 79 -11.117 -9.588 3.624 549 HG3 GLU 79 2HG GLU 79 -12.128 -8.752 2.446 550 H ASP 80 H ASP 80 -7.270 -7.825 0.864 551 HA ASP 80 HA ASP 80 -5.920 -10.390 0.330 552 HB2 ASP 80 1HB ASP 80 -5.693 -7.758 -1.136 553 HB3 ASP 80 2HB ASP 80 -4.568 -9.095 -1.364 554 H TYR 81 H TYR 81 -5.861 -9.267 2.861 555 HA TYR 81 HA TYR 81 -3.779 -7.511 3.418 556 HB2 TYR 81 1HB TYR 81 -4.702 -9.839 5.117 557 HB3 TYR 81 2HB TYR 81 -3.807 -8.432 5.682 558 HD1 TYR 81 1HD TYR 81 -7.060 -9.608 4.409 559 HD2 TYR 81 2HD TYR 81 -4.912 -6.353 6.111 560 HE1 TYR 81 1HE TYR 81 -9.182 -8.441 4.839 561 HE2 TYR 81 2HE TYR 81 -7.028 -5.178 6.548 562 HH TYR 81 HH TYR 81 -10.077 -6.713 6.262 563 H ASP 82 H ASP 82 -3.735 -11.004 2.936 564 HA ASP 82 HA ASP 82 -1.229 -11.688 3.791 565 HB2 ASP 82 1HB ASP 82 -2.098 -12.737 1.134 566 HB3 ASP 82 2HB ASP 82 -1.427 -13.600 2.515 567 H LYS 83 H LYS 83 -2.016 -10.580 0.492 568 HA LYS 83 HA LYS 83 0.723 -10.325 -0.261 569 HB2 LYS 83 1HB LYS 83 -1.782 -9.222 -1.544 570 HB3 LYS 83 2HB LYS 83 -0.185 -9.202 -2.280 571 HG2 LYS 83 1HG LYS 83 -0.155 -11.517 -2.562 572 HG3 LYS 83 2HG LYS 83 -1.461 -11.766 -1.401 573 HD2 LYS 83 1HD LYS 83 -3.075 -10.870 -2.905 574 HD3 LYS 83 2HD LYS 83 -1.820 -10.295 -4.006 575 HE2 LYS 83 1HE LYS 83 -2.150 -13.207 -3.346 576 HE3 LYS 83 2HE LYS 83 -3.066 -12.436 -4.640 577 HZ1 LYS 83 1HZ LYS 83 -0.191 -11.993 -4.653 578 HZ2 LYS 83 2HZ LYS 83 -1.251 -12.260 -5.943 579 HZ3 LYS 83 3HZ LYS 83 -0.702 -13.564 -5.017 580 H ALA 84 H ALA 84 -1.678 -8.176 1.091 581 HA ALA 84 HA ALA 84 -0.588 -5.694 0.544 582 HB1 ALA 84 1HB ALA 84 -2.751 -6.375 1.824 583 HB2 ALA 84 2HB ALA 84 -1.722 -6.246 3.252 584 HB3 ALA 84 3HB ALA 84 -1.952 -4.849 2.201 585 H GLU 85 H GLU 85 0.005 -7.656 3.469 586 HA GLU 85 HA GLU 85 1.810 -6.166 4.803 587 HB2 GLU 85 1HB GLU 85 1.131 -8.336 5.619 588 HB3 GLU 85 2HB GLU 85 1.955 -9.139 4.290 589 HG2 GLU 85 1HG GLU 85 3.539 -7.407 6.114 590 HG3 GLU 85 2HG GLU 85 3.030 -8.999 6.675 591 H THR 86 H THR 86 2.684 -8.396 2.165 592 HA THR 86 HA THR 86 5.403 -7.878 2.071 593 HB THR 86 HB THR 86 3.722 -8.369 -0.387 594 HG1 THR 86 1HG THR 86 4.356 -10.042 1.775 595 HG21 THR 86 1HG2 THR 86 6.081 -9.883 -0.395 596 HG22 THR 86 2HG2 THR 86 6.547 -8.277 0.167 597 HG23 THR 86 3HG2 THR 86 5.717 -8.465 -1.377 598 H GLU 87 H GLU 87 3.061 -6.519 -0.252 599 HA GLU 87 HA GLU 87 4.531 -4.678 -1.525 600 HB2 GLU 87 1HB GLU 87 1.775 -4.147 -0.400 601 HB3 GLU 87 2HB GLU 87 2.529 -3.258 -1.715 602 HG2 GLU 87 1HG GLU 87 1.821 -6.183 -1.751 603 HG3 GLU 87 2HG GLU 87 0.915 -4.888 -2.532 604 H ALA 88 H ALA 88 3.278 -4.317 1.756 605 HA ALA 88 HA ALA 88 3.955 -1.655 2.211 606 HB1 ALA 88 1HB ALA 88 2.890 -3.720 3.709 607 HB2 ALA 88 2HB ALA 88 4.389 -3.317 4.548 608 HB3 ALA 88 3HB ALA 88 3.179 -2.068 4.257 609 H SER 89 H SER 89 5.875 -4.584 2.863 610 HA SER 89 HA SER 89 8.154 -3.215 3.813 611 HB2 SER 89 1HB SER 89 9.238 -5.304 3.811 612 HB3 SER 89 2HB SER 89 7.540 -5.711 4.056 613 HG SER 89 HG SER 89 7.504 -5.962 1.674 614 H LYS 90 H LYS 90 7.070 -4.101 0.612 615 HA LYS 90 HA LYS 90 9.503 -3.750 -0.765 616 HB2 LYS 90 1HB LYS 90 6.755 -3.220 -1.893 617 HB3 LYS 90 2HB LYS 90 8.197 -3.717 -2.768 618 HG2 LYS 90 1HG LYS 90 8.137 -5.875 -1.566 619 HG3 LYS 90 2HG LYS 90 6.629 -5.371 -0.800 620 HD2 LYS 90 1HD LYS 90 5.805 -6.562 -2.576 621 HD3 LYS 90 2HD LYS 90 5.894 -4.953 -3.296 622 HE2 LYS 90 1HE LYS 90 8.249 -6.774 -3.492 623 HE3 LYS 90 2HE LYS 90 6.864 -7.042 -4.550 624 HZ1 LYS 90 1HZ LYS 90 7.431 -4.324 -4.620 625 HZ2 LYS 90 2HZ LYS 90 7.648 -5.457 -5.858 626 HZ3 LYS 90 3HZ LYS 90 8.913 -5.124 -4.785 627 H ALA 91 H ALA 91 7.014 -1.505 0.263 628 HA ALA 91 HA ALA 91 8.090 0.711 -1.229 629 HB1 ALA 91 1HB ALA 91 6.417 1.646 0.849 630 HB2 ALA 91 2HB ALA 91 6.049 1.500 -0.870 631 HB3 ALA 91 3HB ALA 91 5.701 0.160 0.222 632 H ILE 92 H ILE 92 8.084 -0.323 2.165 633 HA ILE 92 HA ILE 92 9.431 1.879 3.242 634 HB ILE 92 HB ILE 92 9.459 -0.999 4.156 635 HG12 ILE 92 1HG1 ILE 92 7.932 1.225 5.458 636 HG13 ILE 92 2HG1 ILE 92 7.279 0.461 4.012 637 HG21 ILE 92 1HG2 ILE 92 11.075 -0.375 5.555 638 HG22 ILE 92 2HG2 ILE 92 10.907 1.321 5.106 639 HG23 ILE 92 3HG2 ILE 92 9.870 0.633 6.356 640 HD11 ILE 92 1HD1 ILE 92 6.392 -1.070 5.338 641 HD12 ILE 92 2HD1 ILE 92 8.026 -1.646 5.668 642 HD13 ILE 92 3HD1 ILE 92 7.277 -0.457 6.734 643 H GLU 93 H GLU 93 10.696 -1.185 1.966 644 HA GLU 93 HA GLU 93 13.410 -0.658 2.519 645 HB2 GLU 93 1HB GLU 93 13.908 -2.494 1.037 646 HB3 GLU 93 2HB GLU 93 12.490 -2.903 1.993 647 HG2 GLU 93 1HG GLU 93 11.079 -2.205 0.058 648 HG3 GLU 93 2HG GLU 93 12.559 -2.029 -0.883 649 H LYS 94 H LYS 94 11.352 0.085 -0.236 650 HA LYS 94 HA LYS 94 13.319 0.885 -2.054 651 HB2 LYS 94 1HB LYS 94 10.417 1.473 -1.696 652 HB3 LYS 94 2HB LYS 94 11.333 2.473 -2.817 653 HG2 LYS 94 1HG LYS 94 11.591 -0.475 -3.048 654 HG3 LYS 94 2HG LYS 94 10.094 0.281 -3.597 655 HD2 LYS 94 1HD LYS 94 11.624 1.896 -4.885 656 HD3 LYS 94 2HD LYS 94 12.894 0.707 -4.591 657 HE2 LYS 94 1HE LYS 94 10.251 0.023 -5.860 658 HE3 LYS 94 2HE LYS 94 11.672 0.496 -6.789 659 HZ1 LYS 94 1HZ LYS 94 11.283 -1.918 -5.131 660 HZ2 LYS 94 2HZ LYS 94 12.831 -1.383 -5.551 661 HZ3 LYS 94 3HZ LYS 94 11.730 -1.817 -6.759 662 H ASP 95 H ASP 95 11.302 2.988 0.010 663 HA ASP 95 HA ASP 95 13.068 5.227 -0.427 664 HB2 ASP 95 1HB ASP 95 10.594 5.478 -0.196 665 HB3 ASP 95 2HB ASP 95 10.741 4.995 1.492 666 H GLY 96 H GLY 96 12.004 3.431 2.472 667 HA2 GLY 96 1HA GLY 96 13.347 2.714 4.247 668 HA3 GLY 96 2HA GLY 96 14.691 3.619 3.566 669 H GLY 97 H GLY 97 11.623 5.182 3.971 670 HA2 GLY 97 1HA GLY 97 12.114 6.195 6.600 671 HA3 GLY 97 2HA GLY 97 12.559 7.361 5.363 672 H ASP 98 H ASP 98 9.952 5.145 4.793 673 HA ASP 98 HA ASP 98 8.060 7.389 5.040 674 HB2 ASP 98 1HB ASP 98 8.539 6.201 2.760 675 HB3 ASP 98 2HB ASP 98 7.493 4.940 3.405 676 H VAL 99 H VAL 99 6.354 7.213 6.365 677 HA VAL 99 HA VAL 99 6.133 4.799 7.982 678 HB VAL 99 HB VAL 99 4.762 6.070 9.479 679 HG11 VAL 99 1HG1 VAL 99 6.257 7.957 10.023 680 HG12 VAL 99 2HG1 VAL 99 7.140 6.466 9.688 681 HG13 VAL 99 3HG1 VAL 99 7.062 7.739 8.469 682 HG21 VAL 99 1HG2 VAL 99 4.202 8.463 8.942 683 HG22 VAL 99 2HG2 VAL 99 4.691 8.129 7.281 684 HG23 VAL 99 3HG2 VAL 99 3.334 7.256 7.994 685 H LYS 100 H LYS 100 4.417 6.513 5.495 686 HA LYS 100 HA LYS 100 1.828 5.738 5.720 687 HB2 LYS 100 1HB LYS 100 3.515 5.714 3.211 688 HB3 LYS 100 2HB LYS 100 1.758 5.635 3.226 689 HG2 LYS 100 1HG LYS 100 3.276 7.897 4.488 690 HG3 LYS 100 2HG LYS 100 2.799 7.899 2.788 691 HD2 LYS 100 1HD LYS 100 0.523 7.952 3.304 692 HD3 LYS 100 2HD LYS 100 0.789 7.386 4.955 693 HE2 LYS 100 1HE LYS 100 1.795 10.040 3.957 694 HE3 LYS 100 2HE LYS 100 0.200 9.836 4.680 695 HZ1 LYS 100 1HZ LYS 100 2.849 9.596 5.937 696 HZ2 LYS 100 2HZ LYS 100 1.538 8.750 6.588 697 HZ3 LYS 100 3HZ LYS 100 1.483 10.437 6.474 698 H ALA 101 H ALA 101 4.450 3.749 4.373 699 HA ALA 101 HA ALA 101 2.822 1.482 3.865 700 HB1 ALA 101 1HB ALA 101 4.823 1.612 2.642 701 HB2 ALA 101 2HB ALA 101 5.793 1.865 4.094 702 HB3 ALA 101 3HB ALA 101 5.068 0.288 3.782 703 H LEU 102 H LEU 102 5.099 2.246 6.494 704 HA LEU 102 HA LEU 102 5.012 -0.027 7.983 705 HB2 LEU 102 1HB LEU 102 5.004 2.844 8.867 706 HB3 LEU 102 2HB LEU 102 5.155 1.509 10.007 707 HG LEU 102 HG LEU 102 7.069 1.699 7.724 708 HD11 LEU 102 1HD1 LEU 102 8.278 2.943 9.922 709 HD12 LEU 102 2HD1 LEU 102 6.719 3.739 9.711 710 HD13 LEU 102 3HD1 LEU 102 7.860 3.667 8.369 711 HD21 LEU 102 1HD2 LEU 102 8.469 0.950 9.891 712 HD22 LEU 102 2HD2 LEU 102 7.612 -0.183 8.846 713 HD23 LEU 102 3HD2 LEU 102 6.869 0.367 10.348 714 H TYR 103 H TYR 103 2.721 2.684 8.349 715 HA TYR 103 HA TYR 103 1.045 1.486 10.218 716 HB2 TYR 103 1HB TYR 103 0.948 3.875 9.623 717 HB3 TYR 103 2HB TYR 103 0.287 3.454 8.047 718 HD1 TYR 103 2HD TYR 103 -0.517 2.280 11.504 719 HD2 TYR 103 1HD TYR 103 -1.912 4.152 7.947 720 HE1 TYR 103 2HE TYR 103 -2.789 2.356 12.442 721 HE2 TYR 103 1HE TYR 103 -4.188 4.235 8.876 722 HH TYR 103 HH TYR 103 -5.263 4.225 11.116 723 H ARG 104 H ARG 104 1.019 1.304 6.693 724 HA ARG 104 HA ARG 104 -1.425 -0.063 6.412 725 HB2 ARG 104 1HB ARG 104 1.034 0.072 4.671 726 HB3 ARG 104 2HB ARG 104 -0.410 -0.815 4.200 727 HG2 ARG 104 1HG ARG 104 -0.578 2.067 4.980 728 HG3 ARG 104 2HG ARG 104 -0.088 1.593 3.352 729 HD2 ARG 104 1HD ARG 104 -2.156 0.436 3.000 730 HD3 ARG 104 2HD ARG 104 -2.624 0.660 4.685 731 HE ARG 104 HE ARG 104 -2.842 2.581 2.551 732 HH11 ARG 104 2HH1 ARG 104 -2.668 2.110 5.996 733 HH12 ARG 104 1HH1 ARG 104 -3.451 3.609 6.372 734 HH21 ARG 104 2HH2 ARG 104 -3.874 4.557 3.033 735 HH22 ARG 104 1HH2 ARG 104 -4.138 5.000 4.685 736 H ARG 105 H ARG 105 1.910 -1.246 6.693 737 HA ARG 105 HA ARG 105 1.495 -3.948 6.320 738 HB2 ARG 105 1HB ARG 105 3.670 -2.563 6.820 739 HB3 ARG 105 2HB ARG 105 3.348 -3.032 8.484 740 HG2 ARG 105 1HG ARG 105 3.675 -5.289 8.046 741 HG3 ARG 105 2HG ARG 105 3.439 -5.083 6.309 742 HD2 ARG 105 1HD ARG 105 5.569 -4.330 5.969 743 HD3 ARG 105 2HD ARG 105 5.697 -3.638 7.585 744 HE ARG 105 HE ARG 105 5.582 -6.507 7.576 745 HH11 ARG 105 2HH1 ARG 105 7.664 -3.732 7.281 746 HH12 ARG 105 1HH1 ARG 105 9.087 -4.584 7.783 747 HH21 ARG 105 2HH2 ARG 105 7.448 -7.639 8.238 748 HH22 ARG 105 1HH2 ARG 105 8.963 -6.806 8.327 749 H SER 106 H SER 106 1.438 -2.202 9.430 750 HA SER 106 HA SER 106 0.810 -4.257 11.125 751 HB2 SER 106 1HB SER 106 -0.015 -2.634 12.653 752 HB3 SER 106 2HB SER 106 1.209 -1.801 11.696 753 HG SER 106 HG SER 106 -0.306 -0.437 11.230 754 H GLN 107 H GLN 107 -1.484 -2.280 9.262 755 HA GLN 107 HA GLN 107 -3.861 -3.361 10.140 756 HB2 GLN 107 1HB GLN 107 -3.217 -2.549 7.300 757 HB3 GLN 107 2HB GLN 107 -4.824 -2.670 8.005 758 HG2 GLN 107 1HG GLN 107 -2.735 -0.822 9.108 759 HG3 GLN 107 2HG GLN 107 -3.810 -0.353 7.792 760 HE21 GLN 107 1HE2 GLN 107 -5.383 0.876 8.511 761 HE22 GLN 107 2HE2 GLN 107 -6.248 0.669 9.991 762 H ALA 108 H ALA 108 -1.522 -4.713 7.920 763 HA ALA 108 HA ALA 108 -3.268 -6.902 7.162 764 HB1 ALA 108 1HB ALA 108 -1.991 -6.795 5.348 765 HB2 ALA 108 2HB ALA 108 -0.833 -5.738 6.156 766 HB3 ALA 108 3HB ALA 108 -0.680 -7.489 6.303 767 H LEU 109 H LEU 109 -0.348 -6.405 9.103 768 HA LEU 109 HA LEU 109 0.239 -9.033 9.751 769 HB2 LEU 109 1HB LEU 109 0.559 -6.480 11.301 770 HB3 LEU 109 2HB LEU 109 1.133 -8.029 11.917 771 HG LEU 109 HG LEU 109 2.042 -6.874 9.289 772 HD11 LEU 109 1HD1 LEU 109 2.709 -5.270 10.898 773 HD12 LEU 109 2HD1 LEU 109 4.121 -6.274 10.572 774 HD13 LEU 109 3HD1 LEU 109 3.187 -6.519 12.048 775 HD21 LEU 109 1HD2 LEU 109 2.766 -9.218 10.976 776 HD22 LEU 109 2HD2 LEU 109 4.035 -8.419 10.047 777 HD23 LEU 109 3HD2 LEU 109 2.625 -9.086 9.223 778 H GLU 110 H GLU 110 -1.942 -6.781 11.426 779 HA GLU 110 HA GLU 110 -2.697 -8.438 13.530 780 HB2 GLU 110 1HB GLU 110 -3.918 -6.102 12.151 781 HB3 GLU 110 2HB GLU 110 -4.959 -7.056 13.198 782 HG2 GLU 110 1HG GLU 110 -2.939 -6.761 14.874 783 HG3 GLU 110 2HG GLU 110 -2.641 -5.338 13.878 784 H LYS 111 H LYS 111 -4.455 -7.905 10.471 785 HA LYS 111 HA LYS 111 -6.445 -9.795 10.829 786 HB2 LYS 111 1HB LYS 111 -6.708 -8.328 9.012 787 HB3 LYS 111 2HB LYS 111 -5.114 -8.697 8.367 788 HG2 LYS 111 1HG LYS 111 -6.659 -9.729 6.926 789 HG3 LYS 111 2HG LYS 111 -5.974 -11.025 7.908 790 HD2 LYS 111 1HD LYS 111 -8.214 -11.535 8.012 791 HD3 LYS 111 2HD LYS 111 -8.034 -10.529 9.451 792 HE2 LYS 111 1HE LYS 111 -9.871 -9.541 8.528 793 HE3 LYS 111 2HE LYS 111 -8.607 -8.601 7.736 794 HZ1 LYS 111 1HZ LYS 111 -8.781 -10.059 5.815 795 HZ2 LYS 111 2HZ LYS 111 -10.273 -9.339 6.156 796 HZ3 LYS 111 3HZ LYS 111 -9.998 -10.955 6.575 797 H LEU 112 H LEU 112 -3.207 -10.209 9.453 798 HA LEU 112 HA LEU 112 -3.488 -12.895 8.679 799 HB2 LEU 112 1HB LEU 112 -1.132 -11.179 9.373 800 HB3 LEU 112 2HB LEU 112 -0.928 -12.888 8.994 801 HG LEU 112 HG LEU 112 -2.208 -10.902 7.122 802 HD11 LEU 112 1HD1 LEU 112 0.614 -11.469 7.700 803 HD12 LEU 112 2HD1 LEU 112 -0.134 -10.064 6.940 804 HD13 LEU 112 3HD1 LEU 112 0.173 -11.520 5.993 805 HD21 LEU 112 1HD2 LEU 112 -0.920 -13.384 6.180 806 HD22 LEU 112 2HD2 LEU 112 -2.395 -12.587 5.630 807 HD23 LEU 112 3HD2 LEU 112 -2.420 -13.582 7.087 808 H GLY 113 H GLY 113 -3.041 -11.429 11.772 809 HA2 GLY 113 1HA GLY 113 -3.698 -12.852 13.675 810 HA3 GLY 113 2HA GLY 113 -2.718 -14.119 12.954 811 H ARG 114 H ARG 114 -0.956 -11.493 12.358 812 HA ARG 114 HA ARG 114 0.756 -11.968 14.660 813 HB2 ARG 114 1HB ARG 114 1.173 -10.335 12.150 814 HB3 ARG 114 2HB ARG 114 2.377 -10.538 13.416 815 HG2 ARG 114 1HG ARG 114 2.782 -12.732 12.871 816 HG3 ARG 114 2HG ARG 114 1.193 -12.953 12.135 817 HD2 ARG 114 1HD ARG 114 1.877 -11.503 10.270 818 HD3 ARG 114 2HD ARG 114 3.473 -11.338 11.000 819 HE ARG 114 HE ARG 114 2.761 -14.069 10.585 820 HH11 ARG 114 2HH1 ARG 114 3.971 -11.214 9.003 821 HH12 ARG 114 1HH1 ARG 114 4.811 -12.094 7.769 822 HH21 ARG 114 2HH2 ARG 114 3.862 -15.240 8.966 823 HH22 ARG 114 1HH2 ARG 114 4.748 -14.384 7.749 824 H LEU 115 H LEU 115 -0.583 -10.950 16.248 825 HA LEU 115 HA LEU 115 -1.238 -8.168 16.045 826 HB2 LEU 115 1HB LEU 115 -1.215 -9.943 18.480 827 HB3 LEU 115 2HB LEU 115 -2.016 -8.381 18.331 828 HG LEU 115 HG LEU 115 -2.766 -10.954 16.950 829 HD11 LEU 115 1HD1 LEU 115 -4.756 -9.483 18.496 830 HD12 LEU 115 2HD1 LEU 115 -3.400 -10.065 19.459 831 HD13 LEU 115 3HD1 LEU 115 -4.353 -11.200 18.503 832 HD21 LEU 115 1HD2 LEU 115 -4.781 -9.306 16.354 833 HD22 LEU 115 2HD2 LEU 115 -3.386 -9.533 15.298 834 HD23 LEU 115 3HD2 LEU 115 -3.461 -8.136 16.374 835 H ASP 116 H ASP 116 1.041 -10.014 18.070 836 HA ASP 116 HA ASP 116 2.238 -7.979 19.452 837 HB2 ASP 116 1HB ASP 116 2.702 -10.526 19.499 838 HB3 ASP 116 2HB ASP 116 3.904 -10.180 18.259 839 H GLN 117 H GLN 117 3.033 -9.079 16.174 840 HA GLN 117 HA GLN 117 5.195 -7.328 15.754 841 HB2 GLN 117 1HB GLN 117 3.309 -8.495 13.700 842 HB3 GLN 117 2HB GLN 117 4.901 -7.820 13.377 843 HG2 GLN 117 1HG GLN 117 4.699 -10.044 15.331 844 HG3 GLN 117 2HG GLN 117 4.504 -10.415 13.619 845 HE21 GLN 117 1HE2 GLN 117 6.371 -11.480 13.260 846 HE22 GLN 117 2HE2 GLN 117 7.941 -10.780 13.429 847 H ALA 118 H ALA 118 1.794 -7.064 14.720 848 HA ALA 118 HA ALA 118 1.684 -4.763 13.372 849 HB1 ALA 118 1HB ALA 118 -0.397 -5.648 13.723 850 HB2 ALA 118 2HB ALA 118 -0.128 -5.882 15.451 851 HB3 ALA 118 3HB ALA 118 -0.456 -4.268 14.820 852 H VAL 119 H VAL 119 1.938 -4.934 16.913 853 HA VAL 119 HA VAL 119 1.917 -2.162 17.385 854 HB VAL 119 HB VAL 119 3.039 -4.457 18.980 855 HG11 VAL 119 1HG1 VAL 119 3.530 -1.613 19.299 856 HG12 VAL 119 2HG1 VAL 119 2.774 -2.331 20.724 857 HG13 VAL 119 3HG1 VAL 119 4.288 -2.988 20.101 858 HG21 VAL 119 1HG2 VAL 119 0.580 -4.257 18.734 859 HG22 VAL 119 2HG2 VAL 119 1.128 -4.092 20.402 860 HG23 VAL 119 3HG2 VAL 119 0.668 -2.661 19.479 861 H LEU 120 H LEU 120 4.580 -4.430 16.832 862 HA LEU 120 HA LEU 120 6.701 -2.669 17.308 863 HB2 LEU 120 1HB LEU 120 6.571 -4.984 15.382 864 HB3 LEU 120 2HB LEU 120 8.047 -4.205 15.949 865 HG LEU 120 HG LEU 120 6.135 -5.527 17.851 866 HD11 LEU 120 1HD1 LEU 120 8.500 -7.070 17.145 867 HD12 LEU 120 2HD1 LEU 120 7.363 -6.893 15.810 868 HD13 LEU 120 3HD1 LEU 120 6.824 -7.585 17.340 869 HD21 LEU 120 1HD2 LEU 120 7.776 -4.043 18.831 870 HD22 LEU 120 2HD2 LEU 120 9.075 -4.861 17.962 871 HD23 LEU 120 3HD2 LEU 120 8.176 -5.717 19.216 872 H ASP 121 H ASP 121 5.522 -3.729 14.110 873 HA ASP 121 HA ASP 121 6.890 -1.975 12.524 874 HB2 ASP 121 1HB ASP 121 5.120 -3.845 11.960 875 HB3 ASP 121 2HB ASP 121 4.012 -2.477 11.884 876 H LEU 122 H LEU 122 4.033 -1.332 14.455 877 HA LEU 122 HA LEU 122 3.513 1.246 13.345 878 HB2 LEU 122 1HB LEU 122 2.622 -0.120 15.872 879 HB3 LEU 122 2HB LEU 122 2.113 1.511 15.438 880 HG LEU 122 HG LEU 122 1.627 -0.808 13.597 881 HD11 LEU 122 1HD1 LEU 122 0.516 -0.480 16.204 882 HD12 LEU 122 2HD1 LEU 122 0.162 -1.711 14.992 883 HD13 LEU 122 3HD1 LEU 122 -0.740 -0.196 15.000 884 HD21 LEU 122 1HD2 LEU 122 0.402 1.915 13.988 885 HD22 LEU 122 2HD2 LEU 122 -0.301 0.668 12.957 886 HD23 LEU 122 3HD2 LEU 122 1.297 1.320 12.589 887 H GLN 123 H GLN 123 5.167 0.086 16.257 888 HA GLN 123 HA GLN 123 5.681 2.381 17.614 889 HB2 GLN 123 1HB GLN 123 7.435 -0.007 17.104 890 HB3 GLN 123 2HB GLN 123 7.974 1.317 18.127 891 HG2 GLN 123 1HG GLN 123 5.639 0.891 19.289 892 HG3 GLN 123 2HG GLN 123 5.871 -0.716 18.601 893 HE21 GLN 123 1HE2 GLN 123 5.923 -1.386 20.847 894 HE22 GLN 123 2HE2 GLN 123 7.407 -1.280 21.725 895 H ARG 124 H ARG 124 6.845 1.541 14.483 896 HA ARG 124 HA ARG 124 8.982 3.492 14.486 897 HB2 ARG 124 1HB ARG 124 7.820 1.817 12.253 898 HB3 ARG 124 2HB ARG 124 9.238 2.846 12.105 899 HG2 ARG 124 1HG ARG 124 10.540 1.462 13.433 900 HG3 ARG 124 2HG ARG 124 9.137 0.690 14.173 901 HD2 ARG 124 1HD ARG 124 8.606 -0.326 11.968 902 HD3 ARG 124 2HD ARG 124 10.104 0.357 11.337 903 HE ARG 124 HE ARG 124 9.827 -1.950 13.030 904 HH11 ARG 124 2HH1 ARG 124 11.958 0.593 11.976 905 HH12 ARG 124 1HH1 ARG 124 13.404 -0.285 12.353 906 HH21 ARG 124 2HH2 ARG 124 11.723 -3.115 13.530 907 HH22 ARG 124 1HH2 ARG 124 13.269 -2.394 13.236 908 H CYS 125 H CYS 125 5.964 3.069 12.629 909 HA CYS 125 HA CYS 125 5.953 5.473 11.284 910 HB2 CYS 125 1HB CYS 125 3.553 5.204 11.054 911 HB3 CYS 125 2HB CYS 125 4.333 3.633 10.913 912 HG CYS 125 HG CYS 125 1.805 3.663 12.372 913 H VAL 126 H VAL 126 5.504 4.903 14.638 914 HA VAL 126 HA VAL 126 4.157 7.412 15.155 915 HB VAL 126 HB VAL 126 5.369 5.440 17.098 916 HG11 VAL 126 1HG1 VAL 126 5.201 7.429 18.287 917 HG12 VAL 126 2HG1 VAL 126 3.728 7.922 17.449 918 HG13 VAL 126 3HG1 VAL 126 3.674 6.624 18.642 919 HG21 VAL 126 1HG2 VAL 126 2.463 5.798 16.398 920 HG22 VAL 126 2HG2 VAL 126 3.497 4.586 15.643 921 HG23 VAL 126 3HG2 VAL 126 3.194 4.528 17.379 922 H SER 127 H SER 127 7.406 6.136 15.211 923 HA SER 127 HA SER 127 8.529 8.332 16.678 924 HB2 SER 127 1HB SER 127 9.450 5.913 16.422 925 HB3 SER 127 2HB SER 127 10.129 6.505 14.906 926 HG SER 127 HG SER 127 10.640 7.435 17.531 927 H LEU 128 H LEU 128 8.269 7.423 13.275 928 HA LEU 128 HA LEU 128 9.861 9.546 12.272 929 HB2 LEU 128 1HB LEU 128 7.976 7.558 11.138 930 HB3 LEU 128 2HB LEU 128 8.320 8.990 10.170 931 HG LEU 128 HG LEU 128 10.589 7.378 11.252 932 HD11 LEU 128 1HD1 LEU 128 8.951 6.675 8.822 933 HD12 LEU 128 2HD1 LEU 128 9.162 5.697 10.274 934 HD13 LEU 128 3HD1 LEU 128 10.534 6.000 9.208 935 HD21 LEU 128 1HD2 LEU 128 10.936 8.215 8.585 936 HD22 LEU 128 2HD2 LEU 128 11.715 8.851 10.034 937 HD23 LEU 128 3HD2 LEU 128 10.212 9.568 9.455 938 H GLU 129 H GLU 129 6.531 9.282 13.228 939 HA GLU 129 HA GLU 129 6.168 12.124 12.574 940 HB2 GLU 129 1HB GLU 129 4.168 9.909 12.097 941 HB3 GLU 129 2HB GLU 129 3.788 11.622 12.000 942 HG2 GLU 129 1HG GLU 129 5.731 10.115 10.266 943 HG3 GLU 129 2HG GLU 129 4.144 10.721 9.794 944 HA PRO 130 HA PRO 130 5.279 11.667 17.006 945 HB2 PRO 130 1HB PRO 130 5.807 14.266 17.587 946 HB3 PRO 130 2HB PRO 130 7.071 13.040 17.432 947 HG2 PRO 130 1HG PRO 130 6.152 15.076 15.440 948 HG3 PRO 130 2HG PRO 130 7.804 14.581 15.852 949 HD2 PRO 130 1HD PRO 130 6.517 13.670 13.651 950 HD3 PRO 130 2HD PRO 130 7.699 12.688 14.542 951 H LYS 131 H LYS 131 4.151 14.130 14.742 952 HA LYS 131 HA LYS 131 1.959 14.969 16.388 953 HB2 LYS 131 1HB LYS 131 2.667 15.451 13.495 954 HB3 LYS 131 2HB LYS 131 1.207 16.097 14.234 955 HG2 LYS 131 1HG LYS 131 2.412 17.503 15.661 956 HG3 LYS 131 2HG LYS 131 3.919 16.622 15.398 957 HD2 LYS 131 1HD LYS 131 3.978 17.404 13.083 958 HD3 LYS 131 2HD LYS 131 2.459 18.269 13.331 959 HE2 LYS 131 1HE LYS 131 3.745 19.413 15.283 960 HE3 LYS 131 2HE LYS 131 5.181 18.859 14.422 961 HZ1 LYS 131 1HZ LYS 131 4.969 20.731 13.260 962 HZ2 LYS 131 2HZ LYS 131 3.386 21.006 13.787 963 HZ3 LYS 131 3HZ LYS 131 3.672 19.984 12.470 964 H ASN 132 H ASN 132 2.335 12.843 13.582 965 HA ASN 132 HA ASN 132 -0.304 12.292 13.009 966 HB2 ASN 132 1HB ASN 132 2.214 10.682 12.791 967 HB3 ASN 132 2HB ASN 132 0.667 9.925 12.421 968 HD21 ASN 132 1HD2 ASN 132 2.113 13.109 11.799 969 HD22 ASN 132 2HD2 ASN 132 1.807 13.102 10.098 970 H LYS 133 H LYS 133 -1.772 11.953 14.576 971 HA LYS 133 HA LYS 133 -1.205 10.331 16.885 972 HB2 LYS 133 1HB LYS 133 -3.842 11.467 15.938 973 HB3 LYS 133 2HB LYS 133 -3.508 10.812 17.535 974 HG2 LYS 133 1HG LYS 133 -1.657 12.650 17.587 975 HG3 LYS 133 2HG LYS 133 -2.644 13.394 16.327 976 HD2 LYS 133 1HD LYS 133 -4.588 13.328 17.818 977 HD3 LYS 133 2HD LYS 133 -3.595 12.590 19.077 978 HE2 LYS 133 1HE LYS 133 -3.523 14.797 19.707 979 HE3 LYS 133 2HE LYS 133 -2.085 14.695 18.692 980 HZ1 LYS 133 1HZ LYS 133 -4.745 15.725 17.866 981 HZ2 LYS 133 2HZ LYS 133 -3.411 15.562 16.840 982 HZ3 LYS 133 3HZ LYS 133 -3.353 16.648 18.137 983 H VAL 134 H VAL 134 -3.028 9.980 13.887 984 HA VAL 134 HA VAL 134 -4.511 7.745 14.272 985 HB VAL 134 HB VAL 134 -2.802 8.391 11.870 986 HG11 VAL 134 1HG1 VAL 134 -3.375 5.993 11.949 987 HG12 VAL 134 2HG1 VAL 134 -5.083 6.426 12.054 988 HG13 VAL 134 3HG1 VAL 134 -4.156 6.833 10.609 989 HG21 VAL 134 1HG2 VAL 134 -4.938 9.187 10.928 990 HG22 VAL 134 2HG2 VAL 134 -5.722 8.855 12.472 991 HG23 VAL 134 3HG2 VAL 134 -4.461 10.084 12.370 992 H PHE 135 H PHE 135 -1.043 7.939 14.207 993 HA PHE 135 HA PHE 135 -0.671 5.081 13.986 994 HB2 PHE 135 1HB PHE 135 1.323 7.264 14.627 995 HB3 PHE 135 2HB PHE 135 1.718 5.590 14.253 996 HD1 PHE 135 1HD PHE 135 -0.185 5.122 12.008 997 HD2 PHE 135 2HD PHE 135 2.359 8.420 12.886 998 HE1 PHE 135 1HE PHE 135 -0.087 5.680 9.613 999 HE2 PHE 135 2HE PHE 135 2.460 8.983 10.493 1000 HZ PHE 135 HZ PHE 135 1.236 7.613 8.853 1001 H GLN 136 H GLN 136 -0.658 7.533 16.501 1002 HA GLN 136 HA GLN 136 0.322 5.790 18.549 1003 HB2 GLN 136 1HB GLN 136 -1.042 8.481 18.661 1004 HB3 GLN 136 2HB GLN 136 -0.440 7.636 20.081 1005 HG2 GLN 136 1HG GLN 136 1.760 7.968 19.518 1006 HG3 GLN 136 2HG GLN 136 1.406 8.139 17.799 1007 HE21 GLN 136 1HE2 GLN 136 0.781 10.117 16.994 1008 HE22 GLN 136 2HE2 GLN 136 0.901 11.580 17.906 1009 H GLU 137 H GLU 137 -2.832 6.733 17.351 1010 HA GLU 137 HA GLU 137 -4.323 5.657 19.527 1011 HB2 GLU 137 1HB GLU 137 -6.262 5.862 17.984 1012 HB3 GLU 137 2HB GLU 137 -5.326 7.343 18.128 1013 HG2 GLU 137 1HG GLU 137 -5.587 7.305 15.882 1014 HG3 GLU 137 2HG GLU 137 -4.110 6.349 16.001 1015 H ALA 138 H ALA 138 -3.142 4.388 16.477 1016 HA ALA 138 HA ALA 138 -4.640 1.956 16.585 1017 HB1 ALA 138 1HB ALA 138 -3.992 1.910 14.465 1018 HB2 ALA 138 2HB ALA 138 -2.866 3.237 14.750 1019 HB3 ALA 138 3HB ALA 138 -2.345 1.571 14.996 1020 H LEU 139 H LEU 139 -1.621 3.046 17.900 1021 HA LEU 139 HA LEU 139 -0.468 0.490 18.367 1022 HB2 LEU 139 1HB LEU 139 0.569 2.899 18.389 1023 HB3 LEU 139 2HB LEU 139 0.138 2.843 20.097 1024 HG LEU 139 HG LEU 139 2.408 2.213 19.959 1025 HD11 LEU 139 1HD1 LEU 139 2.379 0.227 21.103 1026 HD12 LEU 139 2HD1 LEU 139 1.167 -0.493 20.045 1027 HD13 LEU 139 3HD1 LEU 139 0.688 0.711 21.241 1028 HD21 LEU 139 1HD2 LEU 139 3.367 0.816 18.391 1029 HD22 LEU 139 2HD2 LEU 139 2.122 1.628 17.442 1030 HD23 LEU 139 3HD2 LEU 139 1.848 -0.008 18.041 1031 H ARG 140 H ARG 140 -2.028 2.808 20.587 1032 HA ARG 140 HA ARG 140 -2.122 0.968 22.753 1033 HB2 ARG 140 1HB ARG 140 -3.299 3.661 22.200 1034 HB3 ARG 140 2HB ARG 140 -3.911 2.725 23.557 1035 HG2 ARG 140 1HG ARG 140 -0.972 3.146 23.254 1036 HG3 ARG 140 2HG ARG 140 -1.987 4.431 23.913 1037 HD2 ARG 140 1HD ARG 140 -2.885 2.681 25.524 1038 HD3 ARG 140 2HD ARG 140 -1.551 1.659 24.992 1039 HE ARG 140 HE ARG 140 -0.562 4.178 25.773 1040 HH11 ARG 140 2HH1 ARG 140 -1.931 1.272 27.114 1041 HH12 ARG 140 1HH1 ARG 140 -1.121 1.438 28.637 1042 HH21 ARG 140 2HH2 ARG 140 0.510 4.408 27.773 1043 HH22 ARG 140 1HH2 ARG 140 0.266 3.222 29.011 1044 H ASN 141 H ASN 141 -4.165 1.592 20.038 1045 HA ASN 141 HA ASN 141 -6.596 0.582 21.057 1046 HB2 ASN 141 1HB ASN 141 -5.481 1.090 18.334 1047 HB3 ASN 141 2HB ASN 141 -6.926 0.093 18.470 1048 HD21 ASN 141 1HD2 ASN 141 -6.694 2.658 17.227 1049 HD22 ASN 141 2HD2 ASN 141 -7.757 3.728 18.070 1050 H ILE 142 H ILE 142 -3.849 -0.949 19.464 1051 HA ILE 142 HA ILE 142 -5.153 -3.562 19.650 1052 HB ILE 142 HB ILE 142 -3.488 -4.415 18.209 1053 HG12 ILE 142 1HG1 ILE 142 -1.963 -1.868 18.780 1054 HG13 ILE 142 2HG1 ILE 142 -1.500 -3.507 19.223 1055 HG21 ILE 142 1HG2 ILE 142 -5.127 -2.375 17.450 1056 HG22 ILE 142 2HG2 ILE 142 -3.558 -1.806 16.883 1057 HG23 ILE 142 3HG2 ILE 142 -4.174 -3.369 16.348 1058 HD11 ILE 142 1HD1 ILE 142 -1.810 -2.632 16.370 1059 HD12 ILE 142 2HD1 ILE 142 -0.295 -2.483 17.262 1060 HD13 ILE 142 3HD1 ILE 142 -1.008 -4.073 16.994 1061 H SER 143 H SER 143 -2.544 -1.695 21.022 1062 HA SER 143 HA SER 143 -1.068 -3.725 22.245 1063 HB2 SER 143 1HB SER 143 -0.390 -1.318 22.084 1064 HB3 SER 143 2HB SER 143 -1.551 -0.953 23.361 1065 HG SER 143 HG SER 143 0.693 -1.341 24.030 1066 H GLY 144 H GLY 144 -3.954 -2.001 23.340 1067 HA2 GLY 144 1HA GLY 144 -4.065 -3.792 25.682 1068 HA3 GLY 144 2HA GLY 144 -4.845 -2.220 25.584 1069 HA PRO 145 HA PRO 145 -7.883 -5.658 24.586 1070 HB2 PRO 145 1HB PRO 145 -9.630 -5.092 26.586 1071 HB3 PRO 145 2HB PRO 145 -8.268 -6.201 26.786 1072 HG2 PRO 145 1HG PRO 145 -8.505 -3.327 27.590 1073 HG3 PRO 145 2HG PRO 145 -7.813 -4.688 28.492 1074 HD2 PRO 145 1HD PRO 145 -6.283 -2.896 27.157 1075 HD3 PRO 145 2HD PRO 145 -5.818 -4.600 27.341 1076 H SER 146 H SER 146 -8.274 -4.343 22.712 1077 HA SER 146 HA SER 146 -9.567 -1.898 22.636 1078 HB2 SER 146 1HB SER 146 -8.550 -2.973 20.662 1079 HB3 SER 146 2HB SER 146 -9.846 -4.169 20.652 1080 HG SER 146 HG SER 146 -11.298 -2.585 20.129 1081 H SER 147 H SER 147 -11.055 -5.127 22.375 1082 HA SER 147 HA SER 147 -13.255 -5.770 22.506 1083 HB2 SER 147 1HB SER 147 -14.261 -5.278 24.679 1084 HB3 SER 147 2HB SER 147 -12.544 -5.631 24.873 1085 HG SER 147 HG SER 147 -13.353 -2.972 24.521 1086 H GLY 148 H GLY 148 -13.003 -3.701 20.682 1087 HA2 GLY 148 1HA GLY 148 -14.455 -1.412 20.929 1088 HA3 GLY 148 2HA GLY 148 -14.438 -2.372 19.458 Start of MODEL 8 1 H1 GLY 1 H GLY 1 31.754 45.565 29.421 2 HA2 GLY 1 1HA GLY 1 32.985 42.995 28.655 3 HA3 GLY 1 2HA GLY 1 31.357 43.178 29.292 4 H SER 2 H SER 2 31.139 41.747 27.257 5 HA SER 2 HA SER 2 30.326 43.519 25.064 6 HB2 SER 2 1HB SER 2 32.186 41.185 24.919 7 HB3 SER 2 2HB SER 2 31.086 41.467 23.570 8 HG SER 2 HG SER 2 33.368 42.713 24.124 9 H SER 3 H SER 3 29.046 42.077 23.388 10 HA SER 3 HA SER 3 27.594 39.858 24.408 11 HB2 SER 3 1HB SER 3 25.433 40.855 24.753 12 HB3 SER 3 2HB SER 3 26.592 41.748 25.737 13 HG SER 3 HG SER 3 25.409 42.517 23.286 14 H GLY 4 H GLY 4 25.681 39.336 22.943 15 HA2 GLY 4 1HA GLY 4 26.271 40.271 20.202 16 HA3 GLY 4 2HA GLY 4 25.933 38.587 20.573 17 H SER 5 H SER 5 24.235 38.723 18.988 18 HA SER 5 HA SER 5 21.702 39.303 20.172 19 HB2 SER 5 1HB SER 5 20.966 40.938 18.432 20 HB3 SER 5 2HB SER 5 22.215 41.575 19.502 21 HG SER 5 HG SER 5 23.576 41.656 17.882 22 H SER 6 H SER 6 19.931 39.092 18.340 23 HA SER 6 HA SER 6 20.745 37.179 16.291 24 HB2 SER 6 1HB SER 6 19.003 36.558 18.637 25 HB3 SER 6 2HB SER 6 18.607 35.824 17.083 26 HG SER 6 HG SER 6 21.172 35.701 18.287 27 H GLY 7 H GLY 7 18.644 36.497 15.024 28 HA2 GLY 7 1HA GLY 7 16.896 38.859 14.756 29 HA3 GLY 7 2HA GLY 7 17.674 38.156 13.345 30 H MET 8 H MET 8 15.463 37.953 12.541 31 HA MET 8 HA MET 8 14.405 35.331 13.172 32 HB2 MET 8 1HB MET 8 12.782 37.850 13.542 33 HB3 MET 8 2HB MET 8 12.062 36.254 13.379 34 HG2 MET 8 1HG MET 8 13.422 35.547 15.363 35 HG3 MET 8 2HG MET 8 13.864 37.240 15.570 36 HE1 MET 8 1HE MET 8 10.605 35.356 17.697 37 HE2 MET 8 2HE MET 8 11.178 34.509 16.260 38 HE3 MET 8 3HE MET 8 12.329 35.047 17.484 39 H THR 9 H THR 9 12.611 34.738 11.646 40 HA THR 9 HA THR 9 12.591 36.259 9.156 41 HB THR 9 HB THR 9 13.341 33.329 9.203 42 HG1 THR 9 1HG THR 9 14.859 35.698 8.996 43 HG21 THR 9 1HG2 THR 9 12.124 33.813 7.212 44 HG22 THR 9 2HG2 THR 9 13.833 33.789 6.774 45 HG23 THR 9 3HG2 THR 9 12.995 35.328 6.973 46 H VAL 10 H VAL 10 10.924 35.549 7.661 47 HA VAL 10 HA VAL 10 8.838 33.874 8.875 48 HB VAL 10 HB VAL 10 8.345 36.552 7.564 49 HG11 VAL 10 1HG1 VAL 10 6.032 35.686 8.842 50 HG12 VAL 10 2HG1 VAL 10 6.323 35.741 7.102 51 HG13 VAL 10 3HG1 VAL 10 6.641 34.259 8.005 52 HG21 VAL 10 1HG2 VAL 10 7.442 36.042 10.318 53 HG22 VAL 10 2HG2 VAL 10 9.188 36.157 10.102 54 HG23 VAL 10 3HG2 VAL 10 8.149 37.491 9.604 55 H SER 11 H SER 11 7.918 32.464 7.510 56 HA SER 11 HA SER 11 8.330 32.853 4.620 57 HB2 SER 11 1HB SER 11 8.746 30.454 4.370 58 HB3 SER 11 2HB SER 11 9.917 31.165 5.480 59 HG SER 11 HG SER 11 8.948 30.188 7.157 60 H GLY 12 H GLY 12 6.913 31.111 3.407 61 HA2 GLY 12 1HA GLY 12 4.414 30.474 4.697 62 HA3 GLY 12 2HA GLY 12 4.289 31.799 3.549 63 HA PRO 13 HA PRO 13 4.395 27.414 1.542 64 HB2 PRO 13 1HB PRO 13 1.777 26.703 1.644 65 HB3 PRO 13 2HB PRO 13 2.946 26.247 2.889 66 HG2 PRO 13 1HG PRO 13 0.946 28.475 2.893 67 HG3 PRO 13 2HG PRO 13 1.370 27.350 4.196 68 HD2 PRO 13 1HD PRO 13 2.331 29.879 4.084 69 HD3 PRO 13 2HD PRO 13 3.262 28.533 4.772 70 H GLY 14 H GLY 14 2.521 26.743 -0.235 71 HA2 GLY 14 1HA GLY 14 1.728 29.205 -1.637 72 HA3 GLY 14 2HA GLY 14 2.711 28.015 -2.476 73 H THR 15 H THR 15 1.214 27.519 -4.043 74 HA THR 15 HA THR 15 -0.880 25.701 -3.224 75 HB THR 15 HB THR 15 -2.050 27.856 -3.102 76 HG1 THR 15 1HG THR 15 -2.699 25.942 -5.051 77 HG21 THR 15 1HG2 THR 15 -0.498 28.523 -5.316 78 HG22 THR 15 2HG2 THR 15 -1.790 29.489 -4.603 79 HG23 THR 15 3HG2 THR 15 -2.140 28.400 -5.944 80 HA PRO 16 HA PRO 16 0.742 23.960 -6.992 81 HB2 PRO 16 1HB PRO 16 -0.759 21.700 -6.920 82 HB3 PRO 16 2HB PRO 16 0.669 21.937 -5.906 83 HG2 PRO 16 1HG PRO 16 -2.224 22.266 -5.211 84 HG3 PRO 16 2HG PRO 16 -0.926 21.512 -4.268 85 HD2 PRO 16 1HD PRO 16 -1.807 24.026 -3.783 86 HD3 PRO 16 2HD PRO 16 -0.120 23.538 -3.521 87 H GLU 17 H GLU 17 -0.367 22.809 -8.937 88 HA GLU 17 HA GLU 17 -2.976 24.013 -9.523 89 HB2 GLU 17 1HB GLU 17 -2.186 24.666 -11.773 90 HB3 GLU 17 2HB GLU 17 -1.356 25.533 -10.488 91 HG2 GLU 17 1HG GLU 17 0.636 24.449 -10.851 92 HG3 GLU 17 2HG GLU 17 -0.138 23.051 -11.596 93 HA PRO 18 HA PRO 18 -3.908 20.014 -11.103 94 HB2 PRO 18 1HB PRO 18 -5.985 20.661 -12.727 95 HB3 PRO 18 2HB PRO 18 -6.115 20.639 -10.965 96 HG2 PRO 18 1HG PRO 18 -5.707 22.965 -12.804 97 HG3 PRO 18 2HG PRO 18 -6.770 22.829 -11.392 98 HD2 PRO 18 1HD PRO 18 -4.372 24.082 -11.295 99 HD3 PRO 18 2HD PRO 18 -5.052 23.212 -9.904 100 H ARG 19 H ARG 19 -4.089 18.804 -13.136 101 HA ARG 19 HA ARG 19 -2.431 20.025 -15.236 102 HB2 ARG 19 1HB ARG 19 -2.817 17.171 -14.358 103 HB3 ARG 19 2HB ARG 19 -2.109 17.568 -15.919 104 HG2 ARG 19 1HG ARG 19 -1.005 18.707 -13.379 105 HG3 ARG 19 2HG ARG 19 -0.538 17.105 -13.952 106 HD2 ARG 19 1HD ARG 19 1.095 18.372 -14.931 107 HD3 ARG 19 2HD ARG 19 -0.124 18.400 -16.205 108 HE ARG 19 HE ARG 19 -0.558 20.584 -14.507 109 HH11 ARG 19 2HH1 ARG 19 1.776 19.433 -16.819 110 HH12 ARG 19 1HH1 ARG 19 2.290 21.021 -17.287 111 HH21 ARG 19 2HH2 ARG 19 0.109 22.679 -15.114 112 HH22 ARG 19 1HH2 ARG 19 1.341 22.866 -16.316 113 HA PRO 20 HA PRO 20 -5.749 19.906 -18.113 114 HB2 PRO 20 1HB PRO 20 -4.373 19.579 -20.430 115 HB3 PRO 20 2HB PRO 20 -4.387 21.098 -19.528 116 HG2 PRO 20 1HG PRO 20 -2.315 18.938 -19.567 117 HG3 PRO 20 2HG PRO 20 -2.098 20.697 -19.611 118 HD2 PRO 20 1HD PRO 20 -1.777 19.246 -17.347 119 HD3 PRO 20 2HD PRO 20 -2.381 20.915 -17.334 120 H ALA 21 H ALA 21 -6.503 18.576 -20.088 121 HA ALA 21 HA ALA 21 -6.280 15.746 -19.361 122 HB1 ALA 21 1HB ALA 21 -8.274 15.783 -21.166 123 HB2 ALA 21 2HB ALA 21 -8.513 16.057 -19.440 124 HB3 ALA 21 3HB ALA 21 -8.392 17.428 -20.542 125 H THR 22 H THR 22 -5.979 14.131 -20.956 126 HA THR 22 HA THR 22 -5.465 14.679 -23.679 127 HB THR 22 HB THR 22 -3.442 15.763 -22.811 128 HG1 THR 22 1HG THR 22 -2.912 13.269 -24.094 129 HG21 THR 22 1HG2 THR 22 -1.683 14.306 -21.770 130 HG22 THR 22 2HG2 THR 22 -2.915 13.058 -21.583 131 HG23 THR 22 3HG2 THR 22 -3.089 14.602 -20.749 132 HA PRO 23 HA PRO 23 -6.093 10.317 -23.712 133 HB2 PRO 23 1HB PRO 23 -5.314 9.808 -26.263 134 HB3 PRO 23 2HB PRO 23 -6.845 10.597 -25.865 135 HG2 PRO 23 1HG PRO 23 -4.258 11.818 -26.749 136 HG3 PRO 23 2HG PRO 23 -5.911 12.205 -27.262 137 HD2 PRO 23 1HD PRO 23 -4.561 13.697 -25.450 138 HD3 PRO 23 2HD PRO 23 -6.324 13.493 -25.395 139 H GLY 24 H GLY 24 -4.509 9.608 -22.243 140 HA2 GLY 24 1HA GLY 24 -2.152 8.447 -23.537 141 HA3 GLY 24 2HA GLY 24 -1.886 9.516 -22.167 142 H ALA 25 H ALA 25 -2.511 8.852 -20.089 143 HA ALA 25 HA ALA 25 -2.775 7.364 -18.387 144 HB1 ALA 25 1HB ALA 25 -4.756 6.353 -18.459 145 HB2 ALA 25 2HB ALA 25 -4.893 6.928 -20.121 146 HB3 ALA 25 3HB ALA 25 -4.258 5.315 -19.796 147 H SER 26 H SER 26 -0.433 7.131 -19.909 148 HA SER 26 HA SER 26 0.093 4.247 -19.652 149 HB2 SER 26 1HB SER 26 0.833 6.106 -21.890 150 HB3 SER 26 2HB SER 26 1.850 4.712 -21.529 151 HG SER 26 HG SER 26 -0.922 4.659 -22.143 152 H SER 27 H SER 27 1.425 7.519 -19.610 153 HA SER 27 HA SER 27 3.973 6.783 -18.598 154 HB2 SER 27 1HB SER 27 2.540 9.446 -18.436 155 HB3 SER 27 2HB SER 27 4.259 9.184 -18.143 156 HG SER 27 HG SER 27 3.117 8.363 -20.575 157 H VAL 28 H VAL 28 4.466 6.082 -16.639 158 HA VAL 28 HA VAL 28 2.805 5.582 -14.557 159 HB VAL 28 HB VAL 28 4.958 4.694 -14.358 160 HG11 VAL 28 1HG1 VAL 28 6.679 6.906 -13.920 161 HG12 VAL 28 2HG1 VAL 28 6.719 5.725 -15.231 162 HG13 VAL 28 3HG1 VAL 28 5.776 7.206 -15.405 163 HG21 VAL 28 1HG2 VAL 28 3.861 6.031 -12.265 164 HG22 VAL 28 2HG2 VAL 28 5.280 4.990 -12.151 165 HG23 VAL 28 3HG2 VAL 28 5.477 6.735 -12.311 166 H GLU 29 H GLU 29 4.402 8.642 -15.259 167 HA GLU 29 HA GLU 29 3.640 9.926 -12.835 168 HB2 GLU 29 1HB GLU 29 5.489 10.556 -14.575 169 HB3 GLU 29 2HB GLU 29 4.186 11.431 -15.367 170 HG2 GLU 29 1HG GLU 29 3.792 12.660 -13.253 171 HG3 GLU 29 2HG GLU 29 5.200 11.851 -12.566 172 H GLN 30 H GLN 30 2.234 9.708 -16.058 173 HA GLN 30 HA GLN 30 0.103 11.549 -15.441 174 HB2 GLN 30 1HB GLN 30 0.854 11.488 -17.713 175 HB3 GLN 30 2HB GLN 30 0.636 9.745 -17.801 176 HG2 GLN 30 1HG GLN 30 -1.228 10.429 -18.903 177 HG3 GLN 30 2HG GLN 30 -1.860 10.364 -17.258 178 HE21 GLN 30 1HE2 GLN 30 -1.774 12.416 -16.034 179 HE22 GLN 30 2HE2 GLN 30 -2.082 13.884 -16.891 180 H LEU 31 H LEU 31 -0.017 8.163 -16.555 181 HA LEU 31 HA LEU 31 -2.571 7.523 -15.963 182 HB2 LEU 31 1HB LEU 31 -1.971 5.324 -16.085 183 HB3 LEU 31 2HB LEU 31 -0.557 6.081 -16.813 184 HG LEU 31 HG LEU 31 0.387 5.963 -14.370 185 HD11 LEU 31 1HD1 LEU 31 -1.236 3.483 -14.211 186 HD12 LEU 31 2HD1 LEU 31 -1.991 5.001 -13.726 187 HD13 LEU 31 3HD1 LEU 31 -0.518 4.453 -12.926 188 HD21 LEU 31 1HD2 LEU 31 0.151 3.617 -16.248 189 HD22 LEU 31 2HD2 LEU 31 1.269 3.691 -14.886 190 HD23 LEU 31 3HD2 LEU 31 1.422 4.840 -16.215 191 H ARG 32 H ARG 32 -0.006 8.064 -13.669 192 HA ARG 32 HA ARG 32 -0.741 6.873 -11.377 193 HB2 ARG 32 1HB ARG 32 1.003 8.791 -11.878 194 HB3 ARG 32 2HB ARG 32 -0.261 9.817 -11.211 195 HG2 ARG 32 1HG ARG 32 -0.150 8.783 -9.113 196 HG3 ARG 32 2HG ARG 32 0.747 7.402 -9.748 197 HD2 ARG 32 1HD ARG 32 2.463 8.549 -8.780 198 HD3 ARG 32 2HD ARG 32 2.490 9.287 -10.381 199 HE ARG 32 HE ARG 32 1.725 10.540 -7.896 200 HH11 ARG 32 2HH1 ARG 32 1.557 10.657 -11.372 201 HH12 ARG 32 1HH1 ARG 32 1.237 12.358 -11.430 202 HH21 ARG 32 2HH2 ARG 32 1.305 12.781 -7.959 203 HH22 ARG 32 1HH2 ARG 32 1.095 13.566 -9.488 204 H LYS 33 H LYS 33 -2.214 9.886 -12.572 205 HA LYS 33 HA LYS 33 -4.039 10.340 -10.561 206 HB2 LYS 33 1HB LYS 33 -4.284 10.811 -13.532 207 HB3 LYS 33 2HB LYS 33 -5.458 11.405 -12.366 208 HG2 LYS 33 1HG LYS 33 -2.544 12.070 -12.142 209 HG3 LYS 33 2HG LYS 33 -3.643 13.013 -13.150 210 HD2 LYS 33 1HD LYS 33 -4.863 13.774 -11.331 211 HD3 LYS 33 2HD LYS 33 -4.338 12.444 -10.295 212 HE2 LYS 33 1HE LYS 33 -2.014 13.430 -10.430 213 HE3 LYS 33 2HE LYS 33 -2.751 14.845 -11.181 214 HZ1 LYS 33 1HZ LYS 33 -2.380 14.763 -8.625 215 HZ2 LYS 33 2HZ LYS 33 -3.813 13.864 -8.624 216 HZ3 LYS 33 3HZ LYS 33 -3.802 15.436 -9.249 217 H GLU 34 H GLU 34 -4.354 8.195 -13.360 218 HA GLU 34 HA GLU 34 -6.981 7.456 -13.217 219 HB2 GLU 34 1HB GLU 34 -5.289 6.641 -14.878 220 HB3 GLU 34 2HB GLU 34 -4.705 5.518 -13.658 221 HG2 GLU 34 1HG GLU 34 -6.131 4.243 -14.975 222 HG3 GLU 34 2HG GLU 34 -7.102 4.650 -13.561 223 H GLY 35 H GLY 35 -4.302 6.052 -11.340 224 HA2 GLY 35 1HA GLY 35 -5.795 4.154 -9.928 225 HA3 GLY 35 2HA GLY 35 -4.290 4.871 -9.373 226 H ASN 36 H ASN 36 -4.693 7.320 -8.702 227 HA ASN 36 HA ASN 36 -6.110 7.286 -6.323 228 HB2 ASN 36 1HB ASN 36 -5.451 9.700 -8.026 229 HB3 ASN 36 2HB ASN 36 -5.866 9.732 -6.315 230 HD21 ASN 36 1HD2 ASN 36 -3.388 9.569 -8.548 231 HD22 ASN 36 2HD2 ASN 36 -2.104 9.118 -7.483 232 H GLU 37 H GLU 37 -7.077 9.014 -9.295 233 HA GLU 37 HA GLU 37 -9.507 9.957 -8.662 234 HB2 GLU 37 1HB GLU 37 -8.483 8.694 -11.166 235 HB3 GLU 37 2HB GLU 37 -10.189 9.109 -11.072 236 HG2 GLU 37 1HG GLU 37 -9.385 11.434 -10.359 237 HG3 GLU 37 2HG GLU 37 -7.811 10.922 -10.965 238 H LEU 38 H LEU 38 -8.712 6.580 -9.139 239 HA LEU 38 HA LEU 38 -11.470 5.724 -8.962 240 HB2 LEU 38 1HB LEU 38 -8.853 4.251 -9.114 241 HB3 LEU 38 2HB LEU 38 -10.398 3.429 -8.908 242 HG LEU 38 HG LEU 38 -9.883 5.249 -11.241 243 HD11 LEU 38 1HD1 LEU 38 -8.227 3.227 -10.874 244 HD12 LEU 38 2HD1 LEU 38 -8.874 3.615 -12.468 245 HD13 LEU 38 3HD1 LEU 38 -9.585 2.307 -11.523 246 HD21 LEU 38 1HD2 LEU 38 -11.599 2.850 -11.386 247 HD22 LEU 38 2HD2 LEU 38 -11.828 4.456 -12.077 248 HD23 LEU 38 3HD2 LEU 38 -12.180 4.171 -10.372 249 H PHE 39 H PHE 39 -8.608 5.791 -6.906 250 HA PHE 39 HA PHE 39 -9.682 4.282 -4.773 251 HB2 PHE 39 1HB PHE 39 -7.236 4.878 -5.183 252 HB3 PHE 39 2HB PHE 39 -7.608 6.454 -4.491 253 HD1 PHE 39 1HD PHE 39 -7.823 2.818 -3.735 254 HD2 PHE 39 2HD PHE 39 -7.442 6.773 -2.209 255 HE1 PHE 39 1HE PHE 39 -7.453 1.908 -1.479 256 HE2 PHE 39 2HE PHE 39 -7.070 5.870 0.049 257 HZ PHE 39 HZ PHE 39 -7.075 3.434 0.416 258 H LYS 40 H LYS 40 -9.337 7.803 -5.192 259 HA LYS 40 HA LYS 40 -10.618 8.569 -2.834 260 HB2 LYS 40 1HB LYS 40 -10.925 10.752 -3.903 261 HB3 LYS 40 2HB LYS 40 -9.311 10.121 -4.200 262 HG2 LYS 40 1HG LYS 40 -10.367 9.227 -6.407 263 HG3 LYS 40 2HG LYS 40 -11.590 10.460 -6.092 264 HD2 LYS 40 1HD LYS 40 -8.656 10.802 -6.610 265 HD3 LYS 40 2HD LYS 40 -10.023 11.554 -7.435 266 HE2 LYS 40 1HE LYS 40 -9.220 12.089 -4.577 267 HE3 LYS 40 2HE LYS 40 -8.799 13.111 -5.950 268 HZ1 LYS 40 1HZ LYS 40 -11.115 13.548 -6.335 269 HZ2 LYS 40 2HZ LYS 40 -10.753 13.910 -4.723 270 HZ3 LYS 40 3HZ LYS 40 -11.575 12.482 -5.105 271 H CYS 41 H CYS 41 -11.905 7.031 -5.535 272 HA CYS 41 HA CYS 41 -14.617 8.018 -4.978 273 HB2 CYS 41 1HB CYS 41 -13.897 8.184 -7.320 274 HB3 CYS 41 2HB CYS 41 -13.575 6.455 -7.350 275 HG CYS 41 HG CYS 41 -16.158 5.634 -7.270 276 H GLY 42 H GLY 42 -12.543 5.293 -4.683 277 HA2 GLY 42 1HA GLY 42 -13.281 3.641 -3.006 278 HA3 GLY 42 2HA GLY 42 -14.849 3.669 -3.799 279 H ASP 43 H ASP 43 -13.897 3.629 -6.482 280 HA ASP 43 HA ASP 43 -13.847 0.959 -7.064 281 HB2 ASP 43 1HB ASP 43 -12.344 3.020 -8.681 282 HB3 ASP 43 2HB ASP 43 -13.085 1.533 -9.264 283 H TYR 44 H TYR 44 -12.530 -0.297 -5.795 284 HA TYR 44 HA TYR 44 -9.710 0.276 -5.555 285 HB2 TYR 44 1HB TYR 44 -11.219 -2.194 -4.680 286 HB3 TYR 44 2HB TYR 44 -9.615 -1.698 -4.152 287 HD1 TYR 44 1HD TYR 44 -9.730 0.964 -3.327 288 HD2 TYR 44 2HD TYR 44 -12.815 -1.953 -3.043 289 HE1 TYR 44 1HE TYR 44 -10.728 2.210 -1.456 290 HE2 TYR 44 2HE TYR 44 -13.821 -0.715 -1.172 291 HH TYR 44 HH TYR 44 -12.212 2.010 0.306 292 H GLY 45 H GLY 45 -11.715 -2.218 -7.102 293 HA2 GLY 45 1HA GLY 45 -9.792 -3.885 -8.126 294 HA3 GLY 45 2HA GLY 45 -11.298 -3.518 -8.954 295 H GLY 46 H GLY 46 -10.758 -0.725 -9.363 296 HA2 GLY 46 1HA GLY 46 -9.013 -1.001 -11.676 297 HA3 GLY 46 2HA GLY 46 -10.044 0.372 -11.304 298 H ALA 47 H ALA 47 -9.253 1.195 -8.879 299 HA ALA 47 HA ALA 47 -7.144 2.836 -9.239 300 HB1 ALA 47 1HB ALA 47 -8.677 2.747 -7.249 301 HB2 ALA 47 2HB ALA 47 -7.632 1.486 -6.594 302 HB3 ALA 47 3HB ALA 47 -6.988 3.101 -6.886 303 H LEU 48 H LEU 48 -6.905 -0.430 -7.838 304 HA LEU 48 HA LEU 48 -4.148 -0.466 -7.433 305 HB2 LEU 48 1HB LEU 48 -5.680 -2.141 -6.530 306 HB3 LEU 48 2HB LEU 48 -5.971 -2.757 -8.156 307 HG LEU 48 HG LEU 48 -4.442 -4.158 -6.773 308 HD11 LEU 48 1HD1 LEU 48 -4.437 -3.895 -9.352 309 HD12 LEU 48 2HD1 LEU 48 -3.106 -4.742 -8.564 310 HD13 LEU 48 3HD1 LEU 48 -2.899 -3.072 -9.091 311 HD21 LEU 48 1HD2 LEU 48 -2.487 -3.412 -5.914 312 HD22 LEU 48 2HD2 LEU 48 -3.338 -1.867 -5.927 313 HD23 LEU 48 3HD2 LEU 48 -2.217 -2.268 -7.229 314 H ALA 49 H ALA 49 -5.997 -1.690 -10.223 315 HA ALA 49 HA ALA 49 -4.029 -2.660 -11.820 316 HB1 ALA 49 1HB ALA 49 -5.439 -1.575 -13.746 317 HB2 ALA 49 2HB ALA 49 -6.114 -2.868 -12.754 318 HB3 ALA 49 3HB ALA 49 -6.548 -1.190 -12.429 319 H ALA 50 H ALA 50 -5.045 0.760 -11.759 320 HA ALA 50 HA ALA 50 -3.247 1.797 -13.566 321 HB1 ALA 50 1HB ALA 50 -3.385 3.899 -12.066 322 HB2 ALA 50 2HB ALA 50 -4.857 3.291 -12.824 323 HB3 ALA 50 3HB ALA 50 -4.535 2.951 -11.124 324 H TYR 51 H TYR 51 -2.775 1.450 -10.051 325 HA TYR 51 HA TYR 51 -0.210 2.485 -9.878 326 HB2 TYR 51 1HB TYR 51 -1.520 0.284 -8.275 327 HB3 TYR 51 2HB TYR 51 0.021 1.017 -7.846 328 HD1 TYR 51 1HD TYR 51 -0.530 3.865 -8.464 329 HD2 TYR 51 2HD TYR 51 -2.946 0.936 -6.543 330 HE1 TYR 51 1HE TYR 51 -1.713 5.646 -7.249 331 HE2 TYR 51 2HE TYR 51 -4.136 2.710 -5.323 332 HH TYR 51 HH TYR 51 -3.171 6.102 -5.609 333 H THR 52 H THR 52 -1.254 -0.798 -10.669 334 HA THR 52 HA THR 52 1.219 -2.072 -10.663 335 HB THR 52 HB THR 52 -1.139 -2.614 -12.478 336 HG1 THR 52 1HG THR 52 -1.952 -3.683 -10.820 337 HG21 THR 52 1HG2 THR 52 1.301 -4.255 -11.808 338 HG22 THR 52 2HG2 THR 52 0.761 -3.721 -13.399 339 HG23 THR 52 3HG2 THR 52 -0.162 -4.937 -12.517 340 H GLN 53 H GLN 53 -0.395 -0.275 -13.257 341 HA GLN 53 HA GLN 53 1.477 -0.799 -15.281 342 HB2 GLN 53 1HB GLN 53 -0.088 1.764 -15.033 343 HB3 GLN 53 2HB GLN 53 0.454 0.963 -16.501 344 HG2 GLN 53 1HG GLN 53 -1.087 -0.911 -15.981 345 HG3 GLN 53 2HG GLN 53 -1.696 0.027 -14.618 346 HE21 GLN 53 1HE2 GLN 53 -0.820 0.979 -17.913 347 HE22 GLN 53 2HE2 GLN 53 -2.366 1.631 -18.323 348 H ALA 54 H ALA 54 1.141 2.138 -13.280 349 HA ALA 54 HA ALA 54 3.316 3.558 -14.093 350 HB1 ALA 54 1HB ALA 54 2.120 4.713 -12.537 351 HB2 ALA 54 2HB ALA 54 1.914 3.309 -11.489 352 HB3 ALA 54 3HB ALA 54 3.453 4.170 -11.517 353 H LEU 55 H LEU 55 3.335 1.075 -11.536 354 HA LEU 55 HA LEU 55 6.083 1.190 -10.993 355 HB2 LEU 55 1HB LEU 55 3.958 -0.869 -10.585 356 HB3 LEU 55 2HB LEU 55 5.641 -1.274 -10.259 357 HG LEU 55 HG LEU 55 4.265 1.068 -8.965 358 HD11 LEU 55 1HD1 LEU 55 3.215 -1.286 -8.582 359 HD12 LEU 55 2HD1 LEU 55 3.532 -0.226 -7.209 360 HD13 LEU 55 3HD1 LEU 55 4.640 -1.547 -7.577 361 HD21 LEU 55 1HD2 LEU 55 6.594 -0.542 -7.964 362 HD22 LEU 55 2HD2 LEU 55 6.071 1.069 -7.471 363 HD23 LEU 55 3HD2 LEU 55 6.806 0.825 -9.057 364 H GLY 56 H GLY 56 4.283 -0.407 -13.514 365 HA2 GLY 56 1HA GLY 56 6.511 -2.073 -14.322 366 HA3 GLY 56 2HA GLY 56 4.956 -1.942 -15.130 367 H LEU 57 H LEU 57 7.007 0.789 -14.308 368 HA LEU 57 HA LEU 57 7.905 1.034 -17.072 369 HB2 LEU 57 1HB LEU 57 6.340 3.181 -15.648 370 HB3 LEU 57 2HB LEU 57 7.149 3.371 -17.202 371 HG LEU 57 HG LEU 57 4.919 1.401 -16.728 372 HD11 LEU 57 1HD1 LEU 57 4.423 3.946 -16.412 373 HD12 LEU 57 2HD1 LEU 57 3.346 2.942 -17.382 374 HD13 LEU 57 3HD1 LEU 57 4.531 3.981 -18.172 375 HD21 LEU 57 1HD2 LEU 57 6.740 1.844 -18.860 376 HD22 LEU 57 2HD2 LEU 57 5.136 2.343 -19.397 377 HD23 LEU 57 3HD2 LEU 57 5.391 0.710 -18.781 378 H ASP 58 H ASP 58 9.780 2.220 -17.323 379 HA ASP 58 HA ASP 58 11.554 2.333 -15.172 380 HB2 ASP 58 1HB ASP 58 11.868 4.109 -17.575 381 HB3 ASP 58 2HB ASP 58 13.109 3.259 -16.659 382 H ALA 59 H ALA 59 10.389 3.430 -13.504 383 HA ALA 59 HA ALA 59 10.200 6.346 -13.860 384 HB1 ALA 59 1HB ALA 59 8.770 6.178 -11.743 385 HB2 ALA 59 2HB ALA 59 8.079 5.579 -13.252 386 HB3 ALA 59 3HB ALA 59 8.728 4.445 -12.068 387 H THR 60 H THR 60 10.684 7.643 -11.887 388 HA THR 60 HA THR 60 13.304 7.205 -11.015 389 HB THR 60 HB THR 60 12.482 8.897 -9.121 390 HG1 THR 60 1HG THR 60 10.405 9.242 -9.395 391 HG21 THR 60 1HG2 THR 60 13.171 10.664 -10.511 392 HG22 THR 60 2HG2 THR 60 12.586 9.860 -11.968 393 HG23 THR 60 3HG2 THR 60 14.018 9.250 -11.139 394 HA PRO 61 HA PRO 61 13.038 4.526 -7.548 395 HB2 PRO 61 1HB PRO 61 14.880 5.596 -5.865 396 HB3 PRO 61 2HB PRO 61 15.317 4.732 -7.344 397 HG2 PRO 61 1HG PRO 61 15.138 7.680 -6.854 398 HG3 PRO 61 2HG PRO 61 16.377 6.765 -7.733 399 HD2 PRO 61 1HD PRO 61 14.395 8.114 -8.992 400 HD3 PRO 61 2HD PRO 61 15.093 6.616 -9.641 401 H GLN 62 H GLN 62 12.416 7.903 -7.146 402 HA GLN 62 HA GLN 62 11.484 7.624 -4.413 403 HB2 GLN 62 1HB GLN 62 11.324 10.000 -6.275 404 HB3 GLN 62 2HB GLN 62 10.997 10.013 -4.547 405 HG2 GLN 62 1HG GLN 62 13.256 9.664 -4.008 406 HG3 GLN 62 2HG GLN 62 13.661 9.202 -5.661 407 HE21 GLN 62 1HE2 GLN 62 14.768 10.684 -6.694 408 HE22 GLN 62 2HE2 GLN 62 14.627 12.394 -6.495 409 H ASP 63 H ASP 63 10.214 7.443 -7.594 410 HA ASP 63 HA ASP 63 7.468 7.883 -6.715 411 HB2 ASP 63 1HB ASP 63 8.832 7.625 -9.358 412 HB3 ASP 63 2HB ASP 63 7.120 7.220 -9.260 413 H GLN 64 H GLN 64 9.619 5.297 -7.674 414 HA GLN 64 HA GLN 64 7.725 3.273 -8.092 415 HB2 GLN 64 1HB GLN 64 10.611 3.229 -7.241 416 HB3 GLN 64 2HB GLN 64 9.682 1.746 -7.411 417 HG2 GLN 64 1HG GLN 64 9.563 1.912 -9.685 418 HG3 GLN 64 2HG GLN 64 9.698 3.670 -9.674 419 HE21 GLN 64 1HE2 GLN 64 11.171 2.515 -11.487 420 HE22 GLN 64 2HE2 GLN 64 12.839 2.447 -11.041 421 H ALA 65 H ALA 65 9.037 4.653 -5.178 422 HA ALA 65 HA ALA 65 8.110 2.537 -3.458 423 HB1 ALA 65 1HB ALA 65 8.811 5.260 -2.452 424 HB2 ALA 65 2HB ALA 65 9.104 3.680 -1.722 425 HB3 ALA 65 3HB ALA 65 10.075 4.211 -3.095 426 H VAL 66 H VAL 66 7.282 6.009 -3.535 427 HA VAL 66 HA VAL 66 5.099 6.116 -1.986 428 HB VAL 66 HB VAL 66 5.942 8.058 -3.222 429 HG11 VAL 66 1HG1 VAL 66 5.286 8.444 -5.542 430 HG12 VAL 66 2HG1 VAL 66 6.267 6.985 -5.395 431 HG13 VAL 66 3HG1 VAL 66 4.519 6.858 -5.596 432 HG21 VAL 66 1HG2 VAL 66 4.010 8.971 -2.621 433 HG22 VAL 66 2HG2 VAL 66 3.317 8.465 -4.162 434 HG23 VAL 66 3HG2 VAL 66 3.195 7.413 -2.752 435 H LEU 67 H LEU 67 5.248 4.612 -5.143 436 HA LEU 67 HA LEU 67 2.438 4.265 -5.460 437 HB2 LEU 67 1HB LEU 67 4.784 2.868 -6.732 438 HB3 LEU 67 2HB LEU 67 3.106 2.616 -7.208 439 HG LEU 67 HG LEU 67 4.214 5.383 -7.272 440 HD11 LEU 67 1HD1 LEU 67 4.518 3.790 -9.734 441 HD12 LEU 67 2HD1 LEU 67 5.690 3.477 -8.454 442 HD13 LEU 67 3HD1 LEU 67 5.505 5.108 -9.100 443 HD21 LEU 67 1HD2 LEU 67 2.357 5.807 -8.426 444 HD22 LEU 67 2HD2 LEU 67 1.806 4.202 -7.945 445 HD23 LEU 67 3HD2 LEU 67 2.615 4.428 -9.496 446 H HIS 68 H HIS 68 5.062 2.159 -4.334 447 HA HIS 68 HA HIS 68 3.602 -0.177 -3.960 448 HB2 HIS 68 1HB HIS 68 6.075 0.948 -2.706 449 HB3 HIS 68 2HB HIS 68 5.359 -0.511 -2.028 450 HD1 HIS 68 1HD HIS 68 4.618 -2.093 -4.470 451 HD2 HIS 68 2HD HIS 68 8.157 0.064 -4.185 452 HE1 HIS 68 1HE HIS 68 6.187 -3.153 -6.126 453 HE2 HIS 68 2HE HIS 68 8.349 -1.885 -5.874 454 H ARG 69 H ARG 69 4.404 2.269 -1.487 455 HA ARG 69 HA ARG 69 2.940 1.236 0.607 456 HB2 ARG 69 1HB ARG 69 2.876 3.523 1.511 457 HB3 ARG 69 2HB ARG 69 4.464 3.119 0.872 458 HG2 ARG 69 1HG ARG 69 4.067 4.420 -1.102 459 HG3 ARG 69 2HG ARG 69 2.392 4.706 -0.626 460 HD2 ARG 69 1HD ARG 69 3.529 5.688 1.537 461 HD3 ARG 69 2HD ARG 69 4.908 5.879 0.455 462 HE ARG 69 HE ARG 69 3.819 7.616 -0.548 463 HH11 ARG 69 2HH1 ARG 69 1.501 5.709 1.216 464 HH12 ARG 69 1HH1 ARG 69 0.192 6.810 0.944 465 HH21 ARG 69 2HH2 ARG 69 2.103 9.074 -0.913 466 HH22 ARG 69 1HH2 ARG 69 0.535 8.724 -0.268 467 H ASN 70 H ASN 70 1.808 2.769 -2.268 468 HA ASN 70 HA ASN 70 -0.806 3.401 -1.229 469 HB2 ASN 70 1HB ASN 70 0.177 3.330 -4.091 470 HB3 ASN 70 2HB ASN 70 -1.337 4.039 -3.536 471 HD21 ASN 70 1HD2 ASN 70 0.662 5.404 -4.970 472 HD22 ASN 70 2HD2 ASN 70 1.288 6.655 -3.955 473 H ARG 71 H ARG 71 0.494 1.040 -3.558 474 HA ARG 71 HA ARG 71 -1.764 -0.310 -4.267 475 HB2 ARG 71 1HB ARG 71 1.027 -1.295 -3.737 476 HB3 ARG 71 2HB ARG 71 -0.237 -2.395 -4.271 477 HG2 ARG 71 1HG ARG 71 -0.592 -0.821 -6.222 478 HG3 ARG 71 2HG ARG 71 0.912 -0.039 -5.732 479 HD2 ARG 71 1HD ARG 71 1.484 -1.616 -7.405 480 HD3 ARG 71 2HD ARG 71 2.002 -2.304 -5.867 481 HE ARG 71 HE ARG 71 -0.624 -3.147 -6.630 482 HH11 ARG 71 2HH1 ARG 71 2.779 -3.735 -7.072 483 HH12 ARG 71 1HH1 ARG 71 2.567 -5.397 -7.514 484 HH21 ARG 71 2HH2 ARG 71 -0.915 -5.334 -7.211 485 HH22 ARG 71 1HH2 ARG 71 0.466 -6.305 -7.594 486 H ALA 72 H ALA 72 0.234 -1.019 -1.403 487 HA ALA 72 HA ALA 72 -1.000 -3.130 -0.285 488 HB1 ALA 72 1HB ALA 72 0.659 -2.426 1.082 489 HB2 ALA 72 2HB ALA 72 0.272 -0.719 0.855 490 HB3 ALA 72 3HB ALA 72 -0.691 -1.703 1.958 491 H ALA 73 H ALA 73 -2.169 0.219 -0.037 492 HA ALA 73 HA ALA 73 -4.338 -0.110 1.607 493 HB1 ALA 73 1HB ALA 73 -3.536 2.045 0.663 494 HB2 ALA 73 2HB ALA 73 -4.324 1.624 -0.858 495 HB3 ALA 73 3HB ALA 73 -5.288 1.849 0.601 496 H CYS 74 H CYS 74 -4.542 -0.179 -1.958 497 HA CYS 74 HA CYS 74 -7.131 -0.994 -2.250 498 HB2 CYS 74 1HB CYS 74 -4.683 -1.658 -3.875 499 HB3 CYS 74 2HB CYS 74 -6.287 -2.197 -4.357 500 HG CYS 74 HG CYS 74 -4.864 0.779 -4.705 501 H HIS 75 H HIS 75 -4.319 -3.176 -2.034 502 HA HIS 75 HA HIS 75 -5.637 -5.594 -2.112 503 HB2 HIS 75 1HB HIS 75 -3.117 -4.719 -0.728 504 HB3 HIS 75 2HB HIS 75 -3.697 -6.375 -0.576 505 HD1 HIS 75 1HD HIS 75 -4.445 -7.197 -3.303 506 HD2 HIS 75 2HD HIS 75 -1.183 -4.721 -2.602 507 HE1 HIS 75 1HE HIS 75 -2.965 -7.447 -5.321 508 HE2 HIS 75 2HE HIS 75 -0.957 -6.005 -4.835 509 H LEU 76 H LEU 76 -4.677 -3.858 0.856 510 HA LEU 76 HA LEU 76 -5.812 -5.461 2.748 511 HB2 LEU 76 1HB LEU 76 -5.817 -2.446 2.714 512 HB3 LEU 76 2HB LEU 76 -6.079 -3.449 4.140 513 HG LEU 76 HG LEU 76 -3.536 -3.694 2.582 514 HD11 LEU 76 1HD1 LEU 76 -4.302 -1.502 4.476 515 HD12 LEU 76 2HD1 LEU 76 -3.503 -1.388 2.909 516 HD13 LEU 76 3HD1 LEU 76 -2.626 -2.023 4.300 517 HD21 LEU 76 1HD2 LEU 76 -2.712 -4.165 4.929 518 HD22 LEU 76 2HD2 LEU 76 -3.810 -5.357 4.233 519 HD23 LEU 76 3HD2 LEU 76 -4.407 -4.193 5.416 520 H LYS 77 H LYS 77 -7.444 -2.985 0.816 521 HA LYS 77 HA LYS 77 -9.972 -3.268 2.079 522 HB2 LYS 77 1HB LYS 77 -8.993 -1.997 -0.447 523 HB3 LYS 77 2HB LYS 77 -10.722 -2.209 -0.209 524 HG2 LYS 77 1HG LYS 77 -10.437 -0.108 0.634 525 HG3 LYS 77 2HG LYS 77 -10.229 -1.069 2.100 526 HD2 LYS 77 1HD LYS 77 -7.865 -0.875 1.996 527 HD3 LYS 77 2HD LYS 77 -7.924 -0.215 0.360 528 HE2 LYS 77 1HE LYS 77 -7.513 1.613 1.808 529 HE3 LYS 77 2HE LYS 77 -9.202 1.735 1.318 530 HZ1 LYS 77 1HZ LYS 77 -9.761 0.582 3.443 531 HZ2 LYS 77 2HZ LYS 77 -9.105 2.129 3.635 532 HZ3 LYS 77 3HZ LYS 77 -8.146 0.763 3.912 533 H LEU 78 H LEU 78 -8.576 -4.614 -0.890 534 HA LEU 78 HA LEU 78 -10.946 -6.134 -1.493 535 HB2 LEU 78 1HB LEU 78 -8.175 -6.295 -2.668 536 HB3 LEU 78 2HB LEU 78 -9.616 -7.073 -3.319 537 HG LEU 78 HG LEU 78 -9.581 -4.104 -3.011 538 HD11 LEU 78 1HD1 LEU 78 -8.688 -5.101 -5.615 539 HD12 LEU 78 2HD1 LEU 78 -7.513 -5.296 -4.316 540 HD13 LEU 78 3HD1 LEU 78 -8.156 -3.697 -4.689 541 HD21 LEU 78 1HD2 LEU 78 -11.445 -5.875 -3.890 542 HD22 LEU 78 2HD2 LEU 78 -10.665 -5.411 -5.403 543 HD23 LEU 78 3HD2 LEU 78 -11.373 -4.176 -4.360 544 H GLU 79 H GLU 79 -10.148 -6.735 1.069 545 HA GLU 79 HA GLU 79 -9.347 -8.393 2.462 546 HB2 GLU 79 1HB GLU 79 -11.595 -9.110 1.334 547 HB3 GLU 79 2HB GLU 79 -10.593 -10.296 0.510 548 HG2 GLU 79 1HG GLU 79 -9.781 -10.973 2.826 549 HG3 GLU 79 2HG GLU 79 -11.134 -10.028 3.445 550 H ASP 80 H ASP 80 -7.372 -7.657 0.560 551 HA ASP 80 HA ASP 80 -6.060 -10.251 0.074 552 HB2 ASP 80 1HB ASP 80 -6.681 -8.598 -1.890 553 HB3 ASP 80 2HB ASP 80 -5.209 -7.779 -1.375 554 H TYR 81 H TYR 81 -5.883 -9.187 2.583 555 HA TYR 81 HA TYR 81 -3.755 -7.425 3.046 556 HB2 TYR 81 1HB TYR 81 -4.596 -9.677 4.875 557 HB3 TYR 81 2HB TYR 81 -3.825 -8.161 5.328 558 HD1 TYR 81 1HD TYR 81 -6.965 -9.694 4.149 559 HD2 TYR 81 2HD TYR 81 -5.105 -6.166 5.631 560 HE1 TYR 81 1HE TYR 81 -9.179 -8.685 4.507 561 HE2 TYR 81 2HE TYR 81 -7.314 -5.147 5.994 562 HH TYR 81 HH TYR 81 -9.584 -5.713 6.242 563 H ASP 82 H ASP 82 -3.834 -10.895 2.529 564 HA ASP 82 HA ASP 82 -1.414 -11.758 3.408 565 HB2 ASP 82 1HB ASP 82 -2.801 -13.362 2.384 566 HB3 ASP 82 2HB ASP 82 -2.921 -12.432 0.893 567 H LYS 83 H LYS 83 -1.892 -10.575 0.074 568 HA LYS 83 HA LYS 83 0.909 -10.279 -0.376 569 HB2 LYS 83 1HB LYS 83 -1.497 -9.311 -1.923 570 HB3 LYS 83 2HB LYS 83 0.161 -9.112 -2.475 571 HG2 LYS 83 1HG LYS 83 0.465 -11.451 -2.690 572 HG3 LYS 83 2HG LYS 83 -1.043 -11.791 -1.837 573 HD2 LYS 83 1HD LYS 83 -2.317 -10.805 -3.660 574 HD3 LYS 83 2HD LYS 83 -0.822 -10.392 -4.503 575 HE2 LYS 83 1HE LYS 83 -1.703 -13.191 -3.802 576 HE3 LYS 83 2HE LYS 83 -1.901 -12.437 -5.382 577 HZ1 LYS 83 1HZ LYS 83 0.167 -12.975 -5.905 578 HZ2 LYS 83 2HZ LYS 83 0.299 -13.831 -4.453 579 HZ3 LYS 83 3HZ LYS 83 0.784 -12.212 -4.527 580 H ALA 84 H ALA 84 -1.732 -8.046 0.366 581 HA ALA 84 HA ALA 84 -0.632 -5.599 0.014 582 HB1 ALA 84 1HB ALA 84 -2.809 -6.563 1.381 583 HB2 ALA 84 2HB ALA 84 -1.863 -5.782 2.649 584 HB3 ALA 84 3HB ALA 84 -2.358 -4.865 1.226 585 H GLU 85 H GLU 85 -0.153 -7.603 2.925 586 HA GLU 85 HA GLU 85 1.487 -5.963 4.382 587 HB2 GLU 85 1HB GLU 85 0.601 -8.346 4.895 588 HB3 GLU 85 2HB GLU 85 2.100 -8.894 4.157 589 HG2 GLU 85 1HG GLU 85 3.139 -7.146 5.850 590 HG3 GLU 85 2HG GLU 85 1.649 -7.490 6.726 591 H THR 86 H THR 86 2.658 -8.479 2.138 592 HA THR 86 HA THR 86 5.335 -7.980 2.190 593 HB THR 86 HB THR 86 3.718 -8.617 -0.286 594 HG1 THR 86 1HG THR 86 3.505 -10.109 1.500 595 HG21 THR 86 1HG2 THR 86 6.047 -9.828 -0.727 596 HG22 THR 86 2HG2 THR 86 6.634 -8.495 0.266 597 HG23 THR 86 3HG2 THR 86 5.749 -8.163 -1.223 598 H GLU 87 H GLU 87 3.007 -6.391 0.005 599 HA GLU 87 HA GLU 87 4.629 -4.735 -1.409 600 HB2 GLU 87 1HB GLU 87 1.941 -4.067 -0.202 601 HB3 GLU 87 2HB GLU 87 2.736 -3.099 -1.436 602 HG2 GLU 87 1HG GLU 87 1.747 -5.926 -1.695 603 HG3 GLU 87 2HG GLU 87 1.105 -4.488 -2.486 604 H ALA 88 H ALA 88 3.017 -3.647 1.584 605 HA ALA 88 HA ALA 88 4.242 -1.273 2.000 606 HB1 ALA 88 1HB ALA 88 3.167 -3.344 3.804 607 HB2 ALA 88 2HB ALA 88 4.211 -2.131 4.545 608 HB3 ALA 88 3HB ALA 88 2.764 -1.633 3.669 609 H SER 89 H SER 89 5.499 -4.311 3.397 610 HA SER 89 HA SER 89 7.804 -3.540 4.520 611 HB2 SER 89 1HB SER 89 7.543 -5.825 4.631 612 HB3 SER 89 2HB SER 89 7.100 -5.965 2.930 613 HG SER 89 HG SER 89 9.520 -6.236 4.088 614 H LYS 90 H LYS 90 7.489 -4.212 1.037 615 HA LYS 90 HA LYS 90 10.089 -3.573 0.283 616 HB2 LYS 90 1HB LYS 90 7.493 -3.306 -1.236 617 HB3 LYS 90 2HB LYS 90 9.074 -3.085 -1.973 618 HG2 LYS 90 1HG LYS 90 9.595 -5.437 -1.098 619 HG3 LYS 90 2HG LYS 90 7.851 -5.585 -0.868 620 HD2 LYS 90 1HD LYS 90 7.626 -4.872 -3.299 621 HD3 LYS 90 2HD LYS 90 9.365 -5.143 -3.430 622 HE2 LYS 90 1HE LYS 90 7.396 -7.216 -2.478 623 HE3 LYS 90 2HE LYS 90 7.952 -7.077 -4.145 624 HZ1 LYS 90 1HZ LYS 90 10.060 -7.183 -2.170 625 HZ2 LYS 90 2HZ LYS 90 9.920 -7.991 -3.649 626 HZ3 LYS 90 3HZ LYS 90 9.132 -8.593 -2.279 627 H ALA 91 H ALA 91 7.212 -1.472 0.298 628 HA ALA 91 HA ALA 91 8.357 0.868 -0.607 629 HB1 ALA 91 1HB ALA 91 6.599 1.994 0.892 630 HB2 ALA 91 2HB ALA 91 6.040 0.898 -0.373 631 HB3 ALA 91 3HB ALA 91 6.106 0.351 1.302 632 H ILE 92 H ILE 92 8.001 -0.130 2.800 633 HA ILE 92 HA ILE 92 9.352 2.015 3.949 634 HB ILE 92 HB ILE 92 9.256 -0.833 4.951 635 HG12 ILE 92 1HG1 ILE 92 7.505 1.353 5.985 636 HG13 ILE 92 2HG1 ILE 92 7.086 0.606 4.447 637 HG21 ILE 92 1HG2 ILE 92 10.567 1.509 5.958 638 HG22 ILE 92 2HG2 ILE 92 9.305 0.996 7.077 639 HG23 ILE 92 3HG2 ILE 92 10.571 -0.134 6.597 640 HD11 ILE 92 1HD1 ILE 92 6.291 -0.280 6.884 641 HD12 ILE 92 2HD1 ILE 92 6.367 -1.268 5.425 642 HD13 ILE 92 3HD1 ILE 92 7.699 -1.297 6.580 643 H GLU 93 H GLU 93 10.569 -0.737 2.246 644 HA GLU 93 HA GLU 93 13.278 -0.397 3.234 645 HB2 GLU 93 1HB GLU 93 13.038 -2.625 2.845 646 HB3 GLU 93 2HB GLU 93 11.839 -2.384 1.582 647 HG2 GLU 93 1HG GLU 93 13.389 -2.264 -0.068 648 HG3 GLU 93 2HG GLU 93 14.617 -1.562 0.983 649 H LYS 94 H LYS 94 11.371 0.364 0.399 650 HA LYS 94 HA LYS 94 13.333 0.945 -1.457 651 HB2 LYS 94 1HB LYS 94 10.573 1.952 -0.961 652 HB3 LYS 94 2HB LYS 94 11.575 2.837 -2.104 653 HG2 LYS 94 1HG LYS 94 11.239 -0.127 -2.336 654 HG3 LYS 94 2HG LYS 94 10.030 0.983 -2.985 655 HD2 LYS 94 1HD LYS 94 11.839 2.098 -4.281 656 HD3 LYS 94 2HD LYS 94 12.954 0.852 -3.716 657 HE2 LYS 94 1HE LYS 94 11.102 -0.758 -4.675 658 HE3 LYS 94 2HE LYS 94 10.694 0.656 -5.646 659 HZ1 LYS 94 1HZ LYS 94 12.932 0.715 -6.490 660 HZ2 LYS 94 2HZ LYS 94 12.283 -0.824 -6.752 661 HZ3 LYS 94 3HZ LYS 94 13.392 -0.577 -5.499 662 H ASP 95 H ASP 95 12.005 3.050 1.072 663 HA ASP 95 HA ASP 95 14.219 4.927 0.567 664 HB2 ASP 95 1HB ASP 95 11.800 5.733 0.312 665 HB3 ASP 95 2HB ASP 95 11.690 5.592 2.064 666 H GLY 96 H GLY 96 12.115 3.957 3.288 667 HA2 GLY 96 1HA GLY 96 13.356 2.748 5.122 668 HA3 GLY 96 2HA GLY 96 14.508 4.071 5.016 669 H GLY 97 H GLY 97 12.653 6.192 4.705 670 HA2 GLY 97 1HA GLY 97 11.547 6.233 7.437 671 HA3 GLY 97 2HA GLY 97 12.052 7.651 6.530 672 H ASP 98 H ASP 98 10.005 4.951 5.490 673 HA ASP 98 HA ASP 98 7.930 6.902 4.794 674 HB2 ASP 98 1HB ASP 98 8.809 5.343 3.034 675 HB3 ASP 98 2HB ASP 98 8.124 4.005 3.952 676 H VAL 99 H VAL 99 6.905 7.206 6.754 677 HA VAL 99 HA VAL 99 6.057 5.004 8.387 678 HB VAL 99 HB VAL 99 5.090 6.597 9.839 679 HG11 VAL 99 1HG1 VAL 99 7.366 6.811 10.143 680 HG12 VAL 99 2HG1 VAL 99 7.624 7.500 8.538 681 HG13 VAL 99 3HG1 VAL 99 6.895 8.478 9.813 682 HG21 VAL 99 1HG2 VAL 99 4.669 8.097 7.377 683 HG22 VAL 99 2HG2 VAL 99 3.767 8.132 8.892 684 HG23 VAL 99 3HG2 VAL 99 5.229 9.102 8.713 685 H LYS 100 H LYS 100 4.839 6.520 5.607 686 HA LYS 100 HA LYS 100 2.063 6.299 6.022 687 HB2 LYS 100 1HB LYS 100 3.671 6.202 3.464 688 HB3 LYS 100 2HB LYS 100 1.919 6.344 3.531 689 HG2 LYS 100 1HG LYS 100 3.701 8.326 4.902 690 HG3 LYS 100 2HG LYS 100 3.288 8.474 3.193 691 HD2 LYS 100 1HD LYS 100 0.936 8.576 3.725 692 HD3 LYS 100 2HD LYS 100 1.273 8.268 5.430 693 HE2 LYS 100 1HE LYS 100 2.047 10.388 5.799 694 HE3 LYS 100 2HE LYS 100 2.603 10.591 4.139 695 HZ1 LYS 100 1HZ LYS 100 0.739 11.995 4.444 696 HZ2 LYS 100 2HZ LYS 100 -0.184 10.758 5.137 697 HZ3 LYS 100 3HZ LYS 100 0.210 10.699 3.493 698 H ALA 101 H ALA 101 4.389 4.073 4.518 699 HA ALA 101 HA ALA 101 2.453 2.053 3.978 700 HB1 ALA 101 1HB ALA 101 4.436 2.125 2.646 701 HB2 ALA 101 2HB ALA 101 5.462 1.965 4.072 702 HB3 ALA 101 3HB ALA 101 4.448 0.616 3.560 703 H LEU 102 H LEU 102 4.524 2.811 6.686 704 HA LEU 102 HA LEU 102 4.481 0.358 8.026 705 HB2 LEU 102 1HB LEU 102 4.710 3.195 8.980 706 HB3 LEU 102 2HB LEU 102 4.744 1.835 10.101 707 HG LEU 102 HG LEU 102 6.678 2.056 7.811 708 HD11 LEU 102 1HD1 LEU 102 7.833 3.656 8.819 709 HD12 LEU 102 2HD1 LEU 102 7.842 2.752 10.333 710 HD13 LEU 102 3HD1 LEU 102 6.508 3.846 9.967 711 HD21 LEU 102 1HD2 LEU 102 6.166 -0.062 9.309 712 HD22 LEU 102 2HD2 LEU 102 7.254 0.765 10.424 713 HD23 LEU 102 3HD2 LEU 102 7.807 0.341 8.803 714 H TYR 103 H TYR 103 2.322 3.167 8.389 715 HA TYR 103 HA TYR 103 0.634 2.091 10.327 716 HB2 TYR 103 1HB TYR 103 0.639 4.469 9.645 717 HB3 TYR 103 2HB TYR 103 -0.105 4.019 8.115 718 HD1 TYR 103 2HD TYR 103 -0.931 2.642 11.458 719 HD2 TYR 103 1HD TYR 103 -2.154 5.176 8.266 720 HE1 TYR 103 2HE TYR 103 -3.156 2.851 12.484 721 HE2 TYR 103 1HE TYR 103 -4.383 5.393 9.284 722 HH TYR 103 HH TYR 103 -5.501 3.380 11.705 723 H ARG 104 H ARG 104 0.531 1.833 6.807 724 HA ARG 104 HA ARG 104 -1.948 0.401 6.760 725 HB2 ARG 104 1HB ARG 104 0.193 0.828 4.674 726 HB3 ARG 104 2HB ARG 104 -1.299 -0.049 4.365 727 HG2 ARG 104 1HG ARG 104 -1.457 2.704 5.485 728 HG3 ARG 104 2HG ARG 104 -1.078 2.490 3.775 729 HD2 ARG 104 1HD ARG 104 -3.127 1.513 3.310 730 HD3 ARG 104 2HD ARG 104 -3.396 1.046 4.989 731 HE ARG 104 HE ARG 104 -3.322 3.868 4.722 732 HH11 ARG 104 2HH1 ARG 104 -5.340 1.093 4.135 733 HH12 ARG 104 1HH1 ARG 104 -6.823 1.981 4.264 734 HH21 ARG 104 2HH2 ARG 104 -5.266 5.048 4.893 735 HH22 ARG 104 1HH2 ARG 104 -6.779 4.231 4.694 736 H ARG 105 H ARG 105 1.435 -0.449 6.929 737 HA ARG 105 HA ARG 105 1.310 -3.128 6.156 738 HB2 ARG 105 1HB ARG 105 3.459 -2.198 6.400 739 HB3 ARG 105 2HB ARG 105 3.122 -1.628 8.029 740 HG2 ARG 105 1HG ARG 105 3.536 -3.655 8.977 741 HG3 ARG 105 2HG ARG 105 3.037 -4.552 7.541 742 HD2 ARG 105 1HD ARG 105 5.462 -2.844 7.356 743 HD3 ARG 105 2HD ARG 105 5.579 -4.353 8.259 744 HE ARG 105 HE ARG 105 5.251 -4.049 5.401 745 HH11 ARG 105 2HH1 ARG 105 5.047 -6.176 8.150 746 HH12 ARG 105 1HH1 ARG 105 5.181 -7.622 7.206 747 HH21 ARG 105 2HH2 ARG 105 5.429 -5.947 4.147 748 HH22 ARG 105 1HH2 ARG 105 5.399 -7.491 4.929 749 H SER 106 H SER 106 0.986 -1.690 9.394 750 HA SER 106 HA SER 106 0.672 -4.003 10.876 751 HB2 SER 106 1HB SER 106 -0.339 -2.649 12.570 752 HB3 SER 106 2HB SER 106 0.847 -1.634 11.751 753 HG SER 106 HG SER 106 -0.842 -0.346 11.655 754 H GLN 107 H GLN 107 -1.817 -2.111 9.194 755 HA GLN 107 HA GLN 107 -4.091 -3.426 9.971 756 HB2 GLN 107 1HB GLN 107 -3.454 -2.450 7.181 757 HB3 GLN 107 2HB GLN 107 -5.064 -2.781 7.807 758 HG2 GLN 107 1HG GLN 107 -3.250 -0.773 9.095 759 HG3 GLN 107 2HG GLN 107 -4.293 -0.357 7.735 760 HE21 GLN 107 1HE2 GLN 107 -4.201 0.334 10.698 761 HE22 GLN 107 2HE2 GLN 107 -5.829 0.095 11.226 762 H ALA 108 H ALA 108 -1.902 -4.349 7.328 763 HA ALA 108 HA ALA 108 -3.354 -6.665 6.576 764 HB1 ALA 108 1HB ALA 108 -1.984 -6.050 4.873 765 HB2 ALA 108 2HB ALA 108 -0.691 -5.525 5.952 766 HB3 ALA 108 3HB ALA 108 -0.934 -7.243 5.637 767 H LEU 109 H LEU 109 -0.340 -6.280 8.445 768 HA LEU 109 HA LEU 109 0.201 -8.886 9.063 769 HB2 LEU 109 1HB LEU 109 0.533 -6.358 10.633 770 HB3 LEU 109 2HB LEU 109 1.009 -7.910 11.320 771 HG LEU 109 HG LEU 109 2.084 -7.091 8.656 772 HD11 LEU 109 1HD1 LEU 109 3.782 -5.775 9.558 773 HD12 LEU 109 2HD1 LEU 109 3.445 -6.300 11.207 774 HD13 LEU 109 3HD1 LEU 109 2.329 -5.211 10.383 775 HD21 LEU 109 1HD2 LEU 109 2.961 -9.125 9.010 776 HD22 LEU 109 2HD2 LEU 109 2.642 -9.073 10.744 777 HD23 LEU 109 3HD2 LEU 109 4.070 -8.275 10.086 778 H GLU 110 H GLU 110 -2.034 -6.725 10.781 779 HA GLU 110 HA GLU 110 -2.777 -8.355 12.873 780 HB2 GLU 110 1HB GLU 110 -4.395 -6.378 11.271 781 HB3 GLU 110 2HB GLU 110 -5.026 -7.176 12.705 782 HG2 GLU 110 1HG GLU 110 -3.223 -6.214 14.039 783 HG3 GLU 110 2HG GLU 110 -2.586 -5.416 12.602 784 H LYS 111 H LYS 111 -4.386 -8.147 9.697 785 HA LYS 111 HA LYS 111 -6.289 -10.110 10.043 786 HB2 LYS 111 1HB LYS 111 -5.728 -8.521 8.013 787 HB3 LYS 111 2HB LYS 111 -4.864 -9.933 7.420 788 HG2 LYS 111 1HG LYS 111 -6.911 -10.233 6.448 789 HG3 LYS 111 2HG LYS 111 -7.114 -11.159 7.936 790 HD2 LYS 111 1HD LYS 111 -8.005 -8.909 8.896 791 HD3 LYS 111 2HD LYS 111 -8.232 -8.484 7.198 792 HE2 LYS 111 1HE LYS 111 -9.338 -10.972 8.493 793 HE3 LYS 111 2HE LYS 111 -10.246 -9.475 8.283 794 HZ1 LYS 111 1HZ LYS 111 -8.971 -10.701 5.941 795 HZ2 LYS 111 2HZ LYS 111 -10.372 -9.758 6.031 796 HZ3 LYS 111 3HZ LYS 111 -10.407 -11.374 6.531 797 H LEU 112 H LEU 112 -2.868 -10.455 9.576 798 HA LEU 112 HA LEU 112 -3.101 -13.328 9.110 799 HB2 LEU 112 1HB LEU 112 -0.650 -11.579 9.254 800 HB3 LEU 112 2HB LEU 112 -0.688 -13.274 8.772 801 HG LEU 112 HG LEU 112 -2.141 -11.119 7.253 802 HD11 LEU 112 1HD1 LEU 112 0.707 -12.029 7.064 803 HD12 LEU 112 2HD1 LEU 112 0.059 -10.389 7.066 804 HD13 LEU 112 3HD1 LEU 112 -0.154 -11.419 5.650 805 HD21 LEU 112 1HD2 LEU 112 -1.115 -13.567 5.971 806 HD22 LEU 112 2HD2 LEU 112 -2.641 -12.715 5.739 807 HD23 LEU 112 3HD2 LEU 112 -2.434 -13.793 7.120 808 H GLY 113 H GLY 113 -3.854 -12.097 11.677 809 HA2 GLY 113 1HA GLY 113 -3.583 -12.462 13.929 810 HA3 GLY 113 2HA GLY 113 -2.904 -14.007 13.440 811 H ARG 114 H ARG 114 -1.236 -11.297 12.230 812 HA ARG 114 HA ARG 114 0.996 -11.871 14.012 813 HB2 ARG 114 1HB ARG 114 0.699 -10.420 11.405 814 HB3 ARG 114 2HB ARG 114 2.120 -10.148 12.404 815 HG2 ARG 114 1HG ARG 114 2.665 -12.512 12.313 816 HG3 ARG 114 2HG ARG 114 1.209 -12.824 11.365 817 HD2 ARG 114 1HD ARG 114 2.725 -12.666 9.671 818 HD3 ARG 114 2HD ARG 114 2.269 -10.968 9.806 819 HE ARG 114 HE ARG 114 4.396 -10.501 10.491 820 HH11 ARG 114 2HH1 ARG 114 3.813 -13.910 10.888 821 HH12 ARG 114 1HH1 ARG 114 5.450 -14.271 11.327 822 HH21 ARG 114 2HH2 ARG 114 6.554 -10.964 11.067 823 HH22 ARG 114 1HH2 ARG 114 7.007 -12.595 11.430 824 H LEU 115 H LEU 115 -0.963 -10.689 15.439 825 HA LEU 115 HA LEU 115 -0.985 -7.890 15.515 826 HB2 LEU 115 1HB LEU 115 -1.321 -9.721 17.880 827 HB3 LEU 115 2HB LEU 115 -1.964 -8.091 17.688 828 HG LEU 115 HG LEU 115 -2.827 -10.495 16.080 829 HD11 LEU 115 1HD1 LEU 115 -3.423 -10.555 18.515 830 HD12 LEU 115 2HD1 LEU 115 -4.796 -10.550 17.409 831 HD13 LEU 115 3HD1 LEU 115 -4.342 -9.072 18.257 832 HD21 LEU 115 1HD2 LEU 115 -4.659 -8.289 16.140 833 HD22 LEU 115 2HD2 LEU 115 -3.910 -9.083 14.754 834 HD23 LEU 115 3HD2 LEU 115 -3.083 -7.750 15.562 835 H ASP 116 H ASP 116 1.198 -10.238 16.935 836 HA ASP 116 HA ASP 116 2.538 -8.550 18.731 837 HB2 ASP 116 1HB ASP 116 3.354 -11.057 17.278 838 HB3 ASP 116 2HB ASP 116 4.467 -10.216 18.354 839 H GLN 117 H GLN 117 2.861 -9.008 15.281 840 HA GLN 117 HA GLN 117 5.309 -7.478 15.121 841 HB2 GLN 117 1HB GLN 117 3.486 -8.662 13.029 842 HB3 GLN 117 2HB GLN 117 4.910 -7.710 12.629 843 HG2 GLN 117 1HG GLN 117 5.222 -10.189 12.562 844 HG3 GLN 117 2HG GLN 117 6.364 -9.312 13.580 845 HE21 GLN 117 1HE2 GLN 117 3.141 -10.777 13.880 846 HE22 GLN 117 2HE2 GLN 117 3.454 -11.565 15.385 847 H ALA 118 H ALA 118 1.901 -7.033 14.253 848 HA ALA 118 HA ALA 118 1.877 -4.667 12.948 849 HB1 ALA 118 1HB ALA 118 -0.258 -4.163 14.296 850 HB2 ALA 118 2HB ALA 118 -0.208 -5.630 13.319 851 HB3 ALA 118 3HB ALA 118 0.037 -5.723 15.063 852 H VAL 119 H VAL 119 2.281 -5.078 16.442 853 HA VAL 119 HA VAL 119 2.309 -2.322 17.081 854 HB VAL 119 HB VAL 119 3.501 -4.674 18.555 855 HG11 VAL 119 1HG1 VAL 119 3.970 -1.932 18.969 856 HG12 VAL 119 2HG1 VAL 119 2.856 -2.448 20.237 857 HG13 VAL 119 3HG1 VAL 119 4.399 -3.276 20.027 858 HG21 VAL 119 1HG2 VAL 119 1.524 -4.774 19.789 859 HG22 VAL 119 2HG2 VAL 119 1.018 -3.160 19.290 860 HG23 VAL 119 3HG2 VAL 119 0.968 -4.495 18.139 861 H LEU 120 H LEU 120 4.889 -4.647 16.378 862 HA LEU 120 HA LEU 120 7.048 -2.905 16.877 863 HB2 LEU 120 1HB LEU 120 6.810 -5.343 15.127 864 HB3 LEU 120 2HB LEU 120 8.330 -4.502 15.422 865 HG LEU 120 HG LEU 120 6.745 -5.508 17.744 866 HD11 LEU 120 1HD1 LEU 120 6.750 -7.536 16.712 867 HD12 LEU 120 2HD1 LEU 120 8.366 -7.574 17.417 868 HD13 LEU 120 3HD1 LEU 120 8.156 -7.154 15.717 869 HD21 LEU 120 1HD2 LEU 120 9.328 -4.365 17.260 870 HD22 LEU 120 2HD2 LEU 120 9.508 -5.968 17.973 871 HD23 LEU 120 3HD2 LEU 120 8.543 -4.740 18.794 872 H ASP 121 H ASP 121 5.100 -3.524 14.016 873 HA ASP 121 HA ASP 121 6.747 -1.928 12.283 874 HB2 ASP 121 1HB ASP 121 3.929 -2.954 11.877 875 HB3 ASP 121 2HB ASP 121 4.968 -2.272 10.629 876 H LEU 122 H LEU 122 4.199 -1.333 14.501 877 HA LEU 122 HA LEU 122 3.388 1.171 13.300 878 HB2 LEU 122 1HB LEU 122 2.614 -0.365 15.742 879 HB3 LEU 122 2HB LEU 122 2.174 1.336 15.603 880 HG LEU 122 HG LEU 122 1.411 -0.734 13.552 881 HD11 LEU 122 1HD1 LEU 122 -0.056 -1.554 15.001 882 HD12 LEU 122 2HD1 LEU 122 -0.852 0.019 15.000 883 HD13 LEU 122 3HD1 LEU 122 0.377 -0.345 16.211 884 HD21 LEU 122 1HD2 LEU 122 1.318 1.475 12.674 885 HD22 LEU 122 2HD2 LEU 122 0.530 2.089 14.128 886 HD23 LEU 122 3HD2 LEU 122 -0.337 0.995 13.050 887 H GLN 123 H GLN 123 4.981 0.186 16.333 888 HA GLN 123 HA GLN 123 5.503 2.527 17.545 889 HB2 GLN 123 1HB GLN 123 7.376 0.201 17.132 890 HB3 GLN 123 2HB GLN 123 7.760 1.550 18.194 891 HG2 GLN 123 1HG GLN 123 5.393 0.958 19.207 892 HG3 GLN 123 2HG GLN 123 5.770 -0.623 18.523 893 HE21 GLN 123 1HE2 GLN 123 6.726 -1.952 19.870 894 HE22 GLN 123 2HE2 GLN 123 7.758 -1.513 21.184 895 H ARG 124 H ARG 124 6.789 1.512 14.494 896 HA ARG 124 HA ARG 124 8.931 3.396 14.380 897 HB2 ARG 124 1HB ARG 124 7.514 1.896 12.170 898 HB3 ARG 124 2HB ARG 124 8.999 2.816 11.973 899 HG2 ARG 124 1HG ARG 124 10.258 1.287 13.180 900 HG3 ARG 124 2HG ARG 124 8.839 0.594 13.968 901 HD2 ARG 124 1HD ARG 124 8.121 -0.359 11.831 902 HD3 ARG 124 2HD ARG 124 9.538 0.337 11.045 903 HE ARG 124 HE ARG 124 10.287 -1.312 13.231 904 HH11 ARG 124 2HH1 ARG 124 9.168 -1.422 9.936 905 HH12 ARG 124 1HH1 ARG 124 9.893 -2.960 9.603 906 HH21 ARG 124 2HH2 ARG 124 11.247 -3.337 12.805 907 HH22 ARG 124 1HH2 ARG 124 11.075 -4.049 11.236 908 H CYS 125 H CYS 125 5.776 3.257 12.719 909 HA CYS 125 HA CYS 125 5.880 5.727 11.474 910 HB2 CYS 125 1HB CYS 125 3.498 5.583 11.239 911 HB3 CYS 125 2HB CYS 125 4.142 3.949 11.123 912 HG CYS 125 HG CYS 125 3.341 3.140 13.623 913 H VAL 126 H VAL 126 5.542 5.002 14.803 914 HA VAL 126 HA VAL 126 4.301 7.502 15.535 915 HB VAL 126 HB VAL 126 5.573 5.332 17.203 916 HG11 VAL 126 1HG1 VAL 126 4.043 6.757 18.933 917 HG12 VAL 126 2HG1 VAL 126 5.788 6.950 18.749 918 HG13 VAL 126 3HG1 VAL 126 4.685 8.040 17.908 919 HG21 VAL 126 1HG2 VAL 126 3.344 4.704 17.773 920 HG22 VAL 126 2HG2 VAL 126 2.674 6.118 16.960 921 HG23 VAL 126 3HG2 VAL 126 3.423 4.831 16.016 922 H SER 127 H SER 127 7.548 6.126 15.536 923 HA SER 127 HA SER 127 8.841 8.159 16.974 924 HB2 SER 127 1HB SER 127 9.747 5.857 16.271 925 HB3 SER 127 2HB SER 127 10.141 6.620 14.731 926 HG SER 127 HG SER 127 10.957 7.866 17.102 927 H LEU 128 H LEU 128 8.799 7.663 13.439 928 HA LEU 128 HA LEU 128 10.034 9.983 12.655 929 HB2 LEU 128 1HB LEU 128 8.026 8.185 11.432 930 HB3 LEU 128 2HB LEU 128 8.246 9.762 10.677 931 HG LEU 128 HG LEU 128 10.802 9.016 10.794 932 HD11 LEU 128 1HD1 LEU 128 9.218 6.466 10.834 933 HD12 LEU 128 2HD1 LEU 128 10.600 6.922 11.830 934 HD13 LEU 128 3HD1 LEU 128 10.827 6.563 10.118 935 HD21 LEU 128 1HD2 LEU 128 10.505 9.252 8.610 936 HD22 LEU 128 2HD2 LEU 128 8.761 9.114 8.833 937 HD23 LEU 128 3HD2 LEU 128 9.729 7.670 8.530 938 H GLU 129 H GLU 129 6.577 9.514 13.320 939 HA GLU 129 HA GLU 129 6.253 12.441 13.293 940 HB2 GLU 129 1HB GLU 129 4.294 10.215 12.753 941 HB3 GLU 129 2HB GLU 129 3.776 11.864 13.073 942 HG2 GLU 129 1HG GLU 129 5.582 11.001 10.825 943 HG3 GLU 129 2HG GLU 129 3.865 11.376 10.683 944 HA PRO 130 HA PRO 130 5.945 11.504 17.737 945 HB2 PRO 130 1HB PRO 130 6.627 14.012 18.519 946 HB3 PRO 130 2HB PRO 130 7.821 12.787 18.074 947 HG2 PRO 130 1HG PRO 130 6.727 15.047 16.444 948 HG3 PRO 130 2HG PRO 130 8.401 14.478 16.586 949 HD2 PRO 130 1HD PRO 130 6.819 13.839 14.484 950 HD3 PRO 130 2HD PRO 130 8.069 12.743 15.105 951 H LYS 131 H LYS 131 4.446 13.918 15.734 952 HA LYS 131 HA LYS 131 2.528 14.662 17.794 953 HB2 LYS 131 1HB LYS 131 2.970 15.588 14.958 954 HB3 LYS 131 2HB LYS 131 1.601 16.119 15.926 955 HG2 LYS 131 1HG LYS 131 4.457 16.465 16.795 956 HG3 LYS 131 2HG LYS 131 3.571 17.675 15.865 957 HD2 LYS 131 1HD LYS 131 1.809 17.555 17.705 958 HD3 LYS 131 2HD LYS 131 3.017 16.679 18.648 959 HE2 LYS 131 1HE LYS 131 3.563 19.361 17.401 960 HE3 LYS 131 2HE LYS 131 2.875 19.189 19.015 961 HZ1 LYS 131 1HZ LYS 131 5.214 17.576 18.606 962 HZ2 LYS 131 2HZ LYS 131 4.847 18.647 19.863 963 HZ3 LYS 131 3HZ LYS 131 5.520 19.230 18.425 964 H ASN 132 H ASN 132 2.544 13.107 14.601 965 HA ASN 132 HA ASN 132 -0.061 12.639 14.103 966 HB2 ASN 132 1HB ASN 132 2.283 10.765 13.815 967 HB3 ASN 132 2HB ASN 132 0.676 10.341 13.233 968 HD21 ASN 132 1HD2 ASN 132 1.307 10.282 11.098 969 HD22 ASN 132 2HD2 ASN 132 1.694 11.707 10.200 970 H LYS 133 H LYS 133 -1.437 12.413 15.816 971 HA LYS 133 HA LYS 133 -0.993 10.512 17.912 972 HB2 LYS 133 1HB LYS 133 -2.869 11.391 18.914 973 HB3 LYS 133 2HB LYS 133 -2.392 12.741 17.893 974 HG2 LYS 133 1HG LYS 133 -4.435 10.685 17.089 975 HG3 LYS 133 2HG LYS 133 -4.832 12.212 17.881 976 HD2 LYS 133 1HD LYS 133 -3.281 12.027 15.304 977 HD3 LYS 133 2HD LYS 133 -5.034 12.214 15.373 978 HE2 LYS 133 1HE LYS 133 -4.554 14.250 16.863 979 HE3 LYS 133 2HE LYS 133 -2.899 14.126 16.266 980 HZ1 LYS 133 1HZ LYS 133 -5.296 14.396 14.535 981 HZ2 LYS 133 2HZ LYS 133 -3.682 14.405 14.030 982 HZ3 LYS 133 3HZ LYS 133 -4.280 15.675 14.974 983 H VAL 134 H VAL 134 -2.421 10.417 14.790 984 HA VAL 134 HA VAL 134 -4.327 8.412 15.046 985 HB VAL 134 HB VAL 134 -2.469 8.973 12.732 986 HG11 VAL 134 1HG1 VAL 134 -4.252 7.783 11.398 987 HG12 VAL 134 2HG1 VAL 134 -3.245 6.756 12.420 988 HG13 VAL 134 3HG1 VAL 134 -4.878 7.181 12.932 989 HG21 VAL 134 1HG2 VAL 134 -5.368 9.657 12.778 990 HG22 VAL 134 2HG2 VAL 134 -4.239 10.681 13.667 991 HG23 VAL 134 3HG2 VAL 134 -4.036 10.444 11.931 992 H PHE 135 H PHE 135 -0.847 8.212 15.015 993 HA PHE 135 HA PHE 135 -0.794 5.350 14.651 994 HB2 PHE 135 1HB PHE 135 1.425 7.221 15.505 995 HB3 PHE 135 2HB PHE 135 1.619 5.557 14.965 996 HD1 PHE 135 1HD PHE 135 -0.401 5.688 12.694 997 HD2 PHE 135 2HD PHE 135 2.761 8.282 13.873 998 HE1 PHE 135 1HE PHE 135 -0.180 6.468 10.372 999 HE2 PHE 135 2HE PHE 135 2.987 9.067 11.552 1000 HZ PHE 135 HZ PHE 135 1.515 8.161 9.798 1001 H GLN 136 H GLN 136 0.088 7.551 17.316 1002 HA GLN 136 HA GLN 136 0.654 5.691 19.260 1003 HB2 GLN 136 1HB GLN 136 -0.680 8.385 19.535 1004 HB3 GLN 136 2HB GLN 136 -0.096 7.443 20.900 1005 HG2 GLN 136 1HG GLN 136 2.154 7.630 20.178 1006 HG3 GLN 136 2HG GLN 136 1.665 8.302 18.623 1007 HE21 GLN 136 1HE2 GLN 136 2.958 10.121 18.940 1008 HE22 GLN 136 2HE2 GLN 136 2.511 11.379 20.037 1009 H GLU 137 H GLU 137 -2.484 6.804 18.142 1010 HA GLU 137 HA GLU 137 -3.956 5.472 20.213 1011 HB2 GLU 137 1HB GLU 137 -5.860 6.349 19.240 1012 HB3 GLU 137 2HB GLU 137 -4.643 7.514 18.736 1013 HG2 GLU 137 1HG GLU 137 -4.528 6.564 16.554 1014 HG3 GLU 137 2HG GLU 137 -5.540 5.203 17.035 1015 H ALA 138 H ALA 138 -2.855 4.686 16.993 1016 HA ALA 138 HA ALA 138 -4.502 2.375 16.663 1017 HB1 ALA 138 1HB ALA 138 -3.536 2.151 14.613 1018 HB2 ALA 138 2HB ALA 138 -3.163 3.849 14.915 1019 HB3 ALA 138 3HB ALA 138 -1.936 2.614 15.192 1020 H LEU 139 H LEU 139 -1.435 3.021 18.158 1021 HA LEU 139 HA LEU 139 -0.488 0.335 18.199 1022 HB2 LEU 139 1HB LEU 139 0.771 2.590 18.552 1023 HB3 LEU 139 2HB LEU 139 0.301 2.373 20.237 1024 HG LEU 139 HG LEU 139 2.565 1.592 19.883 1025 HD11 LEU 139 1HD1 LEU 139 2.388 -0.490 20.951 1026 HD12 LEU 139 2HD1 LEU 139 0.842 -0.850 20.183 1027 HD13 LEU 139 3HD1 LEU 139 0.938 0.395 21.429 1028 HD21 LEU 139 1HD2 LEU 139 1.598 0.724 17.417 1029 HD22 LEU 139 2HD2 LEU 139 1.992 -0.751 18.300 1030 HD23 LEU 139 3HD2 LEU 139 3.221 0.493 18.066 1031 H ARG 140 H ARG 140 -2.047 2.400 20.642 1032 HA ARG 140 HA ARG 140 -2.180 0.364 22.618 1033 HB2 ARG 140 1HB ARG 140 -3.628 2.991 22.295 1034 HB3 ARG 140 2HB ARG 140 -3.873 1.933 23.678 1035 HG2 ARG 140 1HG ARG 140 -1.103 2.763 22.966 1036 HG3 ARG 140 2HG ARG 140 -2.167 3.907 23.788 1037 HD2 ARG 140 1HD ARG 140 -1.486 1.132 24.753 1038 HD3 ARG 140 2HD ARG 140 -0.788 2.630 25.366 1039 HE ARG 140 HE ARG 140 -3.571 2.802 25.579 1040 HH11 ARG 140 2HH1 ARG 140 -0.913 1.008 26.935 1041 HH12 ARG 140 1HH1 ARG 140 -1.696 0.748 28.459 1042 HH21 ARG 140 2HH2 ARG 140 -4.612 2.467 27.581 1043 HH22 ARG 140 1HH2 ARG 140 -3.800 1.577 28.825 1044 H ASN 141 H ASN 141 -3.999 0.997 19.812 1045 HA ASN 141 HA ASN 141 -6.480 -0.132 20.687 1046 HB2 ASN 141 1HB ASN 141 -5.339 0.743 18.065 1047 HB3 ASN 141 2HB ASN 141 -6.761 -0.295 18.065 1048 HD21 ASN 141 1HD2 ASN 141 -7.479 1.785 16.958 1049 HD22 ASN 141 2HD2 ASN 141 -8.225 2.964 17.977 1050 H ILE 142 H ILE 142 -3.619 -1.328 19.021 1051 HA ILE 142 HA ILE 142 -4.805 -3.992 18.802 1052 HB ILE 142 HB ILE 142 -3.058 -4.576 17.337 1053 HG12 ILE 142 1HG1 ILE 142 -1.617 -2.043 18.153 1054 HG13 ILE 142 2HG1 ILE 142 -1.216 -3.658 18.726 1055 HG21 ILE 142 1HG2 ILE 142 -4.601 -2.264 16.888 1056 HG22 ILE 142 2HG2 ILE 142 -3.000 -1.945 16.222 1057 HG23 ILE 142 3HG2 ILE 142 -3.910 -3.358 15.689 1058 HD11 ILE 142 1HD1 ILE 142 0.181 -2.683 16.837 1059 HD12 ILE 142 2HD1 ILE 142 -0.430 -4.326 16.634 1060 HD13 ILE 142 3HD1 ILE 142 -1.220 -2.983 15.809 1061 H SER 143 H SER 143 -2.641 -2.189 20.753 1062 HA SER 143 HA SER 143 -1.119 -4.405 21.747 1063 HB2 SER 143 1HB SER 143 -0.367 -1.981 21.737 1064 HB3 SER 143 2HB SER 143 -1.478 -1.717 23.081 1065 HG SER 143 HG SER 143 0.364 -3.821 23.239 1066 H GLY 144 H GLY 144 -4.066 -2.756 22.673 1067 HA2 GLY 144 1HA GLY 144 -4.276 -4.513 25.035 1068 HA3 GLY 144 2HA GLY 144 -5.106 -2.975 24.855 1069 HA PRO 145 HA PRO 145 -7.631 -6.751 23.316 1070 HB2 PRO 145 1HB PRO 145 -9.090 -7.281 25.543 1071 HB3 PRO 145 2HB PRO 145 -7.550 -8.074 25.192 1072 HG2 PRO 145 1HG PRO 145 -8.120 -5.763 27.007 1073 HG3 PRO 145 2HG PRO 145 -7.073 -7.167 27.280 1074 HD2 PRO 145 1HD PRO 145 -6.104 -4.747 26.548 1075 HD3 PRO 145 2HD PRO 145 -5.340 -6.271 26.052 1076 H SER 146 H SER 146 -9.031 -5.680 22.051 1077 HA SER 146 HA SER 146 -11.044 -3.972 23.362 1078 HB2 SER 146 1HB SER 146 -11.090 -2.567 21.364 1079 HB3 SER 146 2HB SER 146 -9.450 -2.644 22.007 1080 HG SER 146 HG SER 146 -10.490 -4.105 19.807 1081 H SER 147 H SER 147 -13.131 -3.889 22.313 1082 HA SER 147 HA SER 147 -13.874 -6.490 21.249 1083 HB2 SER 147 1HB SER 147 -15.246 -5.561 23.038 1084 HB3 SER 147 2HB SER 147 -15.564 -4.117 22.077 1085 HG SER 147 HG SER 147 -16.573 -6.709 21.797 1086 H GLY 148 H GLY 148 -13.477 -6.698 19.124 1087 HA2 GLY 148 1HA GLY 148 -14.335 -4.503 17.346 1088 HA3 GLY 148 2HA GLY 148 -13.067 -5.656 16.960 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -16.426 -43.264 4.155 2 HA2 GLY 1 1HA GLY 1 -17.734 -42.747 2.195 3 HA3 GLY 1 2HA GLY 1 -18.416 -41.382 3.066 4 H SER 2 H SER 2 -17.266 -41.246 0.481 5 HA SER 2 HA SER 2 -14.601 -40.204 0.677 6 HB2 SER 2 1HB SER 2 -16.629 -40.129 -1.568 7 HB3 SER 2 2HB SER 2 -14.970 -39.548 -1.712 8 HG SER 2 HG SER 2 -15.338 -42.127 -0.729 9 H SER 3 H SER 3 -14.006 -38.007 0.060 10 HA SER 3 HA SER 3 -16.013 -35.939 0.278 11 HB2 SER 3 1HB SER 3 -15.082 -34.853 2.232 12 HB3 SER 3 2HB SER 3 -15.493 -36.516 2.653 13 HG SER 3 HG SER 3 -13.289 -37.047 2.389 14 H GLY 4 H GLY 4 -14.840 -33.706 0.310 15 HA2 GLY 4 1HA GLY 4 -12.950 -32.419 -0.379 16 HA3 GLY 4 2HA GLY 4 -12.330 -33.836 -1.212 17 H SER 5 H SER 5 -13.753 -34.618 -3.059 18 HA SER 5 HA SER 5 -14.283 -34.090 -5.237 19 HB2 SER 5 1HB SER 5 -16.419 -33.007 -3.455 20 HB3 SER 5 2HB SER 5 -16.509 -32.640 -5.178 21 HG SER 5 HG SER 5 -17.463 -34.535 -5.195 22 H SER 6 H SER 6 -12.231 -32.428 -4.389 23 HA SER 6 HA SER 6 -12.944 -29.714 -5.174 24 HB2 SER 6 1HB SER 6 -10.280 -30.848 -4.285 25 HB3 SER 6 2HB SER 6 -10.647 -29.140 -4.526 26 HG SER 6 HG SER 6 -11.017 -30.593 -2.347 27 H GLY 7 H GLY 7 -12.157 -28.662 -6.980 28 HA2 GLY 7 1HA GLY 7 -10.373 -30.048 -8.804 29 HA3 GLY 7 2HA GLY 7 -12.019 -29.841 -9.384 30 H MET 8 H MET 8 -9.410 -28.726 -10.315 31 HA MET 8 HA MET 8 -9.747 -25.871 -9.836 32 HB2 MET 8 1HB MET 8 -7.487 -27.062 -9.882 33 HB3 MET 8 2HB MET 8 -7.695 -27.162 -11.625 34 HG2 MET 8 1HG MET 8 -6.467 -25.253 -11.464 35 HG3 MET 8 2HG MET 8 -8.097 -24.586 -11.417 36 HE1 MET 8 1HE MET 8 -9.027 -23.369 -10.016 37 HE2 MET 8 2HE MET 8 -8.835 -23.294 -8.265 38 HE3 MET 8 3HE MET 8 -7.902 -22.214 -9.301 39 H THR 9 H THR 9 -10.050 -24.355 -11.518 40 HA THR 9 HA THR 9 -11.120 -25.473 -14.024 41 HB THR 9 HB THR 9 -12.814 -23.670 -14.054 42 HG1 THR 9 1HG THR 9 -11.415 -22.495 -12.319 43 HG21 THR 9 1HG2 THR 9 -14.324 -24.660 -12.466 44 HG22 THR 9 2HG2 THR 9 -12.981 -25.310 -11.525 45 HG23 THR 9 3HG2 THR 9 -13.314 -25.939 -13.139 46 H VAL 10 H VAL 10 -9.732 -24.896 -15.566 47 HA VAL 10 HA VAL 10 -8.306 -22.362 -15.397 48 HB VAL 10 HB VAL 10 -7.049 -23.152 -17.353 49 HG11 VAL 10 1HG1 VAL 10 -6.910 -24.110 -14.776 50 HG12 VAL 10 2HG1 VAL 10 -6.874 -25.578 -15.755 51 HG13 VAL 10 3HG1 VAL 10 -5.679 -24.309 -16.022 52 HG21 VAL 10 1HG2 VAL 10 -8.929 -25.501 -17.196 53 HG22 VAL 10 2HG2 VAL 10 -8.701 -24.391 -18.547 54 HG23 VAL 10 3HG2 VAL 10 -7.418 -25.517 -18.105 55 H SER 11 H SER 11 -8.970 -20.583 -16.391 56 HA SER 11 HA SER 11 -11.332 -20.321 -17.793 57 HB2 SER 11 1HB SER 11 -10.070 -18.430 -16.805 58 HB3 SER 11 2HB SER 11 -8.872 -18.579 -18.091 59 HG SER 11 HG SER 11 -11.244 -17.313 -18.124 60 H GLY 12 H GLY 12 -11.905 -20.207 -19.955 61 HA2 GLY 12 1HA GLY 12 -9.964 -21.447 -21.799 62 HA3 GLY 12 2HA GLY 12 -11.710 -21.597 -21.933 63 HA PRO 13 HA PRO 13 -10.277 -17.198 -23.474 64 HB2 PRO 13 1HB PRO 13 -7.775 -17.207 -24.529 65 HB3 PRO 13 2HB PRO 13 -8.104 -16.806 -22.839 66 HG2 PRO 13 1HG PRO 13 -7.154 -19.386 -24.023 67 HG3 PRO 13 2HG PRO 13 -6.602 -18.559 -22.555 68 HD2 PRO 13 1HD PRO 13 -8.312 -20.657 -22.490 69 HD3 PRO 13 2HD PRO 13 -8.369 -19.342 -21.299 70 H GLY 14 H GLY 14 -11.084 -16.761 -25.436 71 HA2 GLY 14 1HA GLY 14 -10.117 -17.982 -27.831 72 HA3 GLY 14 2HA GLY 14 -11.669 -18.652 -27.350 73 H THR 15 H THR 15 -10.199 -15.405 -27.515 74 HA THR 15 HA THR 15 -12.441 -14.548 -29.198 75 HB THR 15 HB THR 15 -12.742 -12.489 -27.921 76 HG1 THR 15 1HG THR 15 -10.566 -13.524 -26.497 77 HG21 THR 15 1HG2 THR 15 -13.557 -13.584 -25.727 78 HG22 THR 15 2HG2 THR 15 -13.039 -15.098 -26.469 79 HG23 THR 15 3HG2 THR 15 -14.277 -14.112 -27.247 80 HA PRO 16 HA PRO 16 -9.322 -12.510 -31.531 81 HB2 PRO 16 1HB PRO 16 -10.795 -10.535 -32.672 82 HB3 PRO 16 2HB PRO 16 -10.917 -12.230 -33.160 83 HG2 PRO 16 1HG PRO 16 -12.691 -10.652 -31.337 84 HG3 PRO 16 2HG PRO 16 -13.136 -11.807 -32.607 85 HD2 PRO 16 1HD PRO 16 -13.116 -12.466 -29.980 86 HD3 PRO 16 2HD PRO 16 -12.733 -13.634 -31.261 87 H GLU 17 H GLU 17 -8.161 -10.496 -31.753 88 HA GLU 17 HA GLU 17 -8.097 -9.012 -29.273 89 HB2 GLU 17 1HB GLU 17 -6.378 -8.996 -31.747 90 HB3 GLU 17 2HB GLU 17 -6.153 -7.836 -30.446 91 HG2 GLU 17 1HG GLU 17 -6.212 -10.733 -29.781 92 HG3 GLU 17 2HG GLU 17 -4.773 -10.062 -30.545 93 HA PRO 18 HA PRO 18 -10.503 -5.573 -30.593 94 HB2 PRO 18 1HB PRO 18 -9.490 -3.671 -28.943 95 HB3 PRO 18 2HB PRO 18 -10.564 -4.957 -28.381 96 HG2 PRO 18 1HG PRO 18 -7.581 -4.772 -28.214 97 HG3 PRO 18 2HG PRO 18 -8.739 -5.314 -26.985 98 HD2 PRO 18 1HD PRO 18 -7.302 -7.042 -28.497 99 HD3 PRO 18 2HD PRO 18 -8.940 -7.412 -27.920 100 H ARG 19 H ARG 19 -10.383 -3.651 -31.792 101 HA ARG 19 HA ARG 19 -8.528 -3.388 -33.740 102 HB2 ARG 19 1HB ARG 19 -10.200 -1.301 -32.369 103 HB3 ARG 19 2HB ARG 19 -9.130 -0.873 -33.698 104 HG2 ARG 19 1HG ARG 19 -10.323 -2.682 -35.031 105 HG3 ARG 19 2HG ARG 19 -11.526 -2.676 -33.739 106 HD2 ARG 19 1HD ARG 19 -12.464 -1.146 -35.153 107 HD3 ARG 19 2HD ARG 19 -11.468 -0.075 -34.168 108 HE ARG 19 HE ARG 19 -9.890 -0.853 -36.295 109 HH11 ARG 19 2HH1 ARG 19 -12.898 0.839 -35.835 110 HH12 ARG 19 1HH1 ARG 19 -12.716 1.815 -37.254 111 HH21 ARG 19 2HH2 ARG 19 -9.640 0.426 -38.167 112 HH22 ARG 19 1HH2 ARG 19 -10.863 1.578 -38.581 113 HA PRO 20 HA PRO 20 -4.735 -1.924 -32.088 114 HB2 PRO 20 1HB PRO 20 -3.836 -0.366 -34.121 115 HB3 PRO 20 2HB PRO 20 -3.868 -2.131 -34.206 116 HG2 PRO 20 1HG PRO 20 -5.804 -0.145 -35.333 117 HG3 PRO 20 2HG PRO 20 -5.144 -1.612 -36.080 118 HD2 PRO 20 1HD PRO 20 -7.615 -1.523 -34.976 119 HD3 PRO 20 2HD PRO 20 -6.617 -2.991 -34.967 120 H ALA 21 H ALA 21 -4.296 -0.414 -30.615 121 HA ALA 21 HA ALA 21 -4.893 2.381 -31.131 122 HB1 ALA 21 1HB ALA 21 -6.900 2.140 -30.104 123 HB2 ALA 21 2HB ALA 21 -6.381 0.733 -29.174 124 HB3 ALA 21 3HB ALA 21 -5.903 2.352 -28.664 125 H THR 22 H THR 22 -4.323 3.600 -28.886 126 HA THR 22 HA THR 22 -2.138 2.430 -27.437 127 HB THR 22 HB THR 22 -0.972 3.039 -29.515 128 HG1 THR 22 1HG THR 22 -0.374 4.643 -27.235 129 HG21 THR 22 1HG2 THR 22 -1.689 5.898 -28.869 130 HG22 THR 22 2HG2 THR 22 -2.510 4.934 -30.098 131 HG23 THR 22 3HG2 THR 22 -0.794 5.303 -30.267 132 HA PRO 23 HA PRO 23 -3.619 5.369 -24.505 133 HB2 PRO 23 1HB PRO 23 -1.539 5.295 -22.763 134 HB3 PRO 23 2HB PRO 23 -2.722 3.989 -22.902 135 HG2 PRO 23 1HG PRO 23 0.023 4.189 -24.078 136 HG3 PRO 23 2HG PRO 23 -0.762 2.803 -23.300 137 HD2 PRO 23 1HD PRO 23 -0.580 3.054 -25.990 138 HD3 PRO 23 2HD PRO 23 -1.951 2.252 -25.196 139 H GLY 24 H GLY 24 -2.888 7.381 -23.359 140 HA2 GLY 24 1HA GLY 24 -0.793 8.819 -24.849 141 HA3 GLY 24 2HA GLY 24 -2.392 9.529 -24.681 142 H ALA 25 H ALA 25 -3.037 9.029 -22.093 143 HA ALA 25 HA ALA 25 -1.068 10.674 -20.674 144 HB1 ALA 25 1HB ALA 25 -3.750 10.092 -19.528 145 HB2 ALA 25 2HB ALA 25 -2.774 11.558 -19.435 146 HB3 ALA 25 3HB ALA 25 -3.645 11.172 -20.919 147 H SER 26 H SER 26 -0.822 7.749 -21.099 148 HA SER 26 HA SER 26 -1.258 6.597 -18.474 149 HB2 SER 26 1HB SER 26 -0.400 5.576 -21.140 150 HB3 SER 26 2HB SER 26 0.107 4.670 -19.715 151 HG SER 26 HG SER 26 -1.870 3.879 -20.376 152 H SER 27 H SER 27 0.385 8.739 -18.202 153 HA SER 27 HA SER 27 3.127 7.725 -18.097 154 HB2 SER 27 1HB SER 27 2.027 10.499 -17.580 155 HB3 SER 27 2HB SER 27 3.735 10.063 -17.548 156 HG SER 27 HG SER 27 2.317 10.791 -19.632 157 H VAL 28 H VAL 28 3.897 6.860 -16.299 158 HA VAL 28 HA VAL 28 2.640 6.321 -13.986 159 HB VAL 28 HB VAL 28 4.874 5.480 -14.452 160 HG11 VAL 28 1HG1 VAL 28 6.356 7.778 -13.455 161 HG12 VAL 28 2HG1 VAL 28 6.655 6.762 -14.867 162 HG13 VAL 28 3HG1 VAL 28 5.517 8.106 -14.971 163 HG21 VAL 28 1HG2 VAL 28 4.047 6.577 -11.902 164 HG22 VAL 28 2HG2 VAL 28 4.801 5.025 -12.270 165 HG23 VAL 28 3HG2 VAL 28 5.802 6.457 -12.028 166 H GLU 29 H GLU 29 4.101 9.396 -14.835 167 HA GLU 29 HA GLU 29 3.837 10.547 -12.229 168 HB2 GLU 29 1HB GLU 29 4.602 11.518 -14.936 169 HB3 GLU 29 2HB GLU 29 4.056 12.716 -13.770 170 HG2 GLU 29 1HG GLU 29 6.201 10.739 -13.091 171 HG3 GLU 29 2HG GLU 29 6.561 12.243 -13.936 172 H GLN 30 H GLN 30 1.949 10.653 -15.217 173 HA GLN 30 HA GLN 30 -0.054 12.362 -13.987 174 HB2 GLN 30 1HB GLN 30 0.434 12.851 -16.276 175 HB3 GLN 30 2HB GLN 30 0.216 11.170 -16.746 176 HG2 GLN 30 1HG GLN 30 -1.762 12.030 -17.454 177 HG3 GLN 30 2HG GLN 30 -2.209 11.574 -15.811 178 HE21 GLN 30 1HE2 GLN 30 -1.696 13.380 -14.172 179 HE22 GLN 30 2HE2 GLN 30 -2.217 14.962 -14.630 180 H LEU 31 H LEU 31 -0.193 9.252 -15.734 181 HA LEU 31 HA LEU 31 -2.689 8.417 -15.163 182 HB2 LEU 31 1HB LEU 31 -2.023 6.301 -15.681 183 HB3 LEU 31 2HB LEU 31 -0.650 7.217 -16.299 184 HG LEU 31 HG LEU 31 0.418 6.717 -13.995 185 HD11 LEU 31 1HD1 LEU 31 -2.062 5.489 -13.613 186 HD12 LEU 31 2HD1 LEU 31 -0.641 5.384 -12.574 187 HD13 LEU 31 3HD1 LEU 31 -0.908 4.173 -13.828 188 HD21 LEU 31 1HD2 LEU 31 1.502 4.863 -14.898 189 HD22 LEU 31 2HD2 LEU 31 0.947 5.752 -16.317 190 HD23 LEU 31 3HD2 LEU 31 0.066 4.325 -15.768 191 H ARG 32 H ARG 32 0.016 8.472 -12.921 192 HA ARG 32 HA ARG 32 -0.650 6.949 -10.840 193 HB2 ARG 32 1HB ARG 32 1.219 8.444 -10.675 194 HB3 ARG 32 2HB ARG 32 0.168 9.853 -10.732 195 HG2 ARG 32 1HG ARG 32 -0.849 8.738 -8.563 196 HG3 ARG 32 2HG ARG 32 0.758 8.012 -8.484 197 HD2 ARG 32 1HD ARG 32 1.786 10.203 -8.532 198 HD3 ARG 32 2HD ARG 32 0.210 10.967 -8.734 199 HE ARG 32 HE ARG 32 -0.201 10.672 -6.485 200 HH11 ARG 32 2HH1 ARG 32 2.664 8.926 -7.415 201 HH12 ARG 32 1HH1 ARG 32 3.146 8.590 -5.785 202 HH21 ARG 32 2HH2 ARG 32 0.424 10.237 -4.335 203 HH22 ARG 32 1HH2 ARG 32 1.871 9.336 -4.034 204 H LYS 33 H LYS 33 -2.181 10.095 -11.482 205 HA LYS 33 HA LYS 33 -3.905 10.217 -9.331 206 HB2 LYS 33 1HB LYS 33 -3.956 11.291 -12.105 207 HB3 LYS 33 2HB LYS 33 -5.453 11.361 -11.184 208 HG2 LYS 33 1HG LYS 33 -4.257 13.431 -10.941 209 HG3 LYS 33 2HG LYS 33 -4.266 12.574 -9.398 210 HD2 LYS 33 1HD LYS 33 -2.066 13.370 -9.647 211 HD3 LYS 33 2HD LYS 33 -1.987 11.660 -10.076 212 HE2 LYS 33 1HE LYS 33 -0.762 12.669 -11.766 213 HE3 LYS 33 2HE LYS 33 -2.358 12.495 -12.495 214 HZ1 LYS 33 1HZ LYS 33 -1.487 14.682 -12.923 215 HZ2 LYS 33 2HZ LYS 33 -1.247 14.963 -11.272 216 HZ3 LYS 33 3HZ LYS 33 -2.817 14.809 -11.885 217 H GLU 34 H GLU 34 -4.467 8.679 -12.487 218 HA GLU 34 HA GLU 34 -7.038 7.873 -12.334 219 HB2 GLU 34 1HB GLU 34 -5.569 7.309 -14.208 220 HB3 GLU 34 2HB GLU 34 -4.713 6.147 -13.203 221 HG2 GLU 34 1HG GLU 34 -6.107 4.739 -14.305 222 HG3 GLU 34 2HG GLU 34 -7.126 5.129 -12.920 223 H GLY 35 H GLY 35 -4.324 6.423 -10.598 224 HA2 GLY 35 1HA GLY 35 -5.763 4.240 -9.509 225 HA3 GLY 35 2HA GLY 35 -4.249 4.886 -8.893 226 H ASN 36 H ASN 36 -4.638 7.196 -7.855 227 HA ASN 36 HA ASN 36 -6.043 6.795 -5.492 228 HB2 ASN 36 1HB ASN 36 -5.543 9.538 -6.631 229 HB3 ASN 36 2HB ASN 36 -5.533 9.034 -4.944 230 HD21 ASN 36 1HD2 ASN 36 -3.571 10.182 -7.106 231 HD22 ASN 36 2HD2 ASN 36 -2.114 9.318 -6.765 232 H GLU 37 H GLU 37 -6.966 8.900 -8.222 233 HA GLU 37 HA GLU 37 -9.353 9.866 -7.444 234 HB2 GLU 37 1HB GLU 37 -8.459 8.818 -10.106 235 HB3 GLU 37 2HB GLU 37 -10.101 9.413 -9.905 236 HG2 GLU 37 1HG GLU 37 -9.233 11.574 -9.176 237 HG3 GLU 37 2HG GLU 37 -7.586 10.979 -9.372 238 H LEU 38 H LEU 38 -8.809 6.586 -8.671 239 HA LEU 38 HA LEU 38 -11.538 5.797 -8.503 240 HB2 LEU 38 1HB LEU 38 -8.954 4.289 -8.751 241 HB3 LEU 38 2HB LEU 38 -10.502 3.460 -8.603 242 HG LEU 38 HG LEU 38 -9.969 5.456 -10.786 243 HD11 LEU 38 1HD1 LEU 38 -8.735 4.023 -11.951 244 HD12 LEU 38 2HD1 LEU 38 -9.843 2.693 -11.618 245 HD13 LEU 38 3HD1 LEU 38 -8.564 3.083 -10.468 246 HD21 LEU 38 1HD2 LEU 38 -11.785 4.299 -11.895 247 HD22 LEU 38 2HD2 LEU 38 -12.303 4.845 -10.300 248 HD23 LEU 38 3HD2 LEU 38 -11.898 3.148 -10.563 249 H PHE 39 H PHE 39 -8.806 5.681 -6.307 250 HA PHE 39 HA PHE 39 -9.962 3.942 -4.395 251 HB2 PHE 39 1HB PHE 39 -7.499 4.646 -4.646 252 HB3 PHE 39 2HB PHE 39 -7.952 6.086 -3.739 253 HD1 PHE 39 1HD PHE 39 -7.628 2.426 -3.595 254 HD2 PHE 39 2HD PHE 39 -8.350 5.998 -1.396 255 HE1 PHE 39 1HE PHE 39 -7.328 1.187 -1.491 256 HE2 PHE 39 2HE PHE 39 -8.050 4.765 0.712 257 HZ PHE 39 HZ PHE 39 -7.538 2.356 0.666 258 H LYS 40 H LYS 40 -9.633 7.489 -4.446 259 HA LYS 40 HA LYS 40 -11.042 8.012 -2.095 260 HB2 LYS 40 1HB LYS 40 -11.420 10.286 -3.092 261 HB3 LYS 40 2HB LYS 40 -9.743 9.754 -3.090 262 HG2 LYS 40 1HG LYS 40 -10.163 8.985 -5.485 263 HG3 LYS 40 2HG LYS 40 -11.640 9.947 -5.404 264 HD2 LYS 40 1HD LYS 40 -10.042 11.386 -6.342 265 HD3 LYS 40 2HD LYS 40 -10.137 11.870 -4.647 266 HE2 LYS 40 1HE LYS 40 -8.117 9.845 -5.521 267 HE3 LYS 40 2HE LYS 40 -7.814 11.562 -5.780 268 HZ1 LYS 40 1HZ LYS 40 -7.676 10.040 -3.366 269 HZ2 LYS 40 2HZ LYS 40 -8.653 11.409 -3.189 270 HZ3 LYS 40 3HZ LYS 40 -7.052 11.574 -3.707 271 H CYS 41 H CYS 41 -12.174 6.732 -4.991 272 HA CYS 41 HA CYS 41 -14.918 7.656 -4.497 273 HB2 CYS 41 1HB CYS 41 -13.986 7.978 -6.784 274 HB3 CYS 41 2HB CYS 41 -13.816 6.233 -6.927 275 HG CYS 41 HG CYS 41 -16.630 8.117 -7.011 276 H GLY 42 H GLY 42 -12.854 4.869 -4.480 277 HA2 GLY 42 1HA GLY 42 -13.681 3.100 -2.921 278 HA3 GLY 42 2HA GLY 42 -15.191 3.185 -3.815 279 H ASP 43 H ASP 43 -14.054 3.383 -6.420 280 HA ASP 43 HA ASP 43 -13.926 0.764 -7.211 281 HB2 ASP 43 1HB ASP 43 -12.946 3.316 -8.408 282 HB3 ASP 43 2HB ASP 43 -12.449 1.802 -9.159 283 H TYR 44 H TYR 44 -12.654 -0.587 -6.007 284 HA TYR 44 HA TYR 44 -9.867 0.020 -5.540 285 HB2 TYR 44 1HB TYR 44 -11.335 -2.561 -4.980 286 HB3 TYR 44 2HB TYR 44 -9.807 -2.035 -4.283 287 HD1 TYR 44 1HD TYR 44 -10.112 0.520 -3.240 288 HD2 TYR 44 2HD TYR 44 -13.083 -2.515 -3.489 289 HE1 TYR 44 1HE TYR 44 -11.319 1.557 -1.365 290 HE2 TYR 44 2HE TYR 44 -14.299 -1.486 -1.615 291 HH TYR 44 HH TYR 44 -12.934 1.104 0.260 292 H GLY 45 H GLY 45 -11.661 -2.532 -7.271 293 HA2 GLY 45 1HA GLY 45 -9.605 -3.961 -8.364 294 HA3 GLY 45 2HA GLY 45 -11.122 -3.670 -9.201 295 H GLY 46 H GLY 46 -10.748 -0.795 -9.387 296 HA2 GLY 46 1HA GLY 46 -9.060 -0.800 -11.745 297 HA3 GLY 46 2HA GLY 46 -10.087 0.516 -11.197 298 H ALA 47 H ALA 47 -9.243 1.214 -8.806 299 HA ALA 47 HA ALA 47 -7.148 2.862 -9.065 300 HB1 ALA 47 1HB ALA 47 -7.215 1.405 -6.481 301 HB2 ALA 47 2HB ALA 47 -7.170 3.138 -6.805 302 HB3 ALA 47 3HB ALA 47 -8.680 2.245 -6.990 303 H LEU 48 H LEU 48 -6.846 -0.520 -7.994 304 HA LEU 48 HA LEU 48 -4.083 -0.574 -7.656 305 HB2 LEU 48 1HB LEU 48 -5.679 -2.341 -6.951 306 HB3 LEU 48 2HB LEU 48 -5.823 -2.831 -8.638 307 HG LEU 48 HG LEU 48 -4.279 -4.173 -7.063 308 HD11 LEU 48 1HD1 LEU 48 -2.982 -3.254 -9.603 309 HD12 LEU 48 2HD1 LEU 48 -4.462 -4.212 -9.620 310 HD13 LEU 48 3HD1 LEU 48 -2.999 -4.864 -8.882 311 HD21 LEU 48 1HD2 LEU 48 -2.241 -2.128 -7.835 312 HD22 LEU 48 2HD2 LEU 48 -2.169 -3.367 -6.581 313 HD23 LEU 48 3HD2 LEU 48 -3.170 -1.933 -6.349 314 H ALA 49 H ALA 49 -5.934 -1.687 -10.498 315 HA ALA 49 HA ALA 49 -3.983 -2.392 -12.219 316 HB1 ALA 49 1HB ALA 49 -6.095 -2.599 -13.105 317 HB2 ALA 49 2HB ALA 49 -6.561 -0.957 -12.659 318 HB3 ALA 49 3HB ALA 49 -5.472 -1.226 -14.020 319 H ALA 50 H ALA 50 -5.107 0.966 -11.793 320 HA ALA 50 HA ALA 50 -3.413 2.238 -13.555 321 HB1 ALA 50 1HB ALA 50 -5.068 3.567 -12.595 322 HB2 ALA 50 2HB ALA 50 -4.613 3.116 -10.952 323 HB3 ALA 50 3HB ALA 50 -3.575 4.189 -11.891 324 H TYR 51 H TYR 51 -2.800 1.560 -10.111 325 HA TYR 51 HA TYR 51 -0.270 2.669 -9.913 326 HB2 TYR 51 1HB TYR 51 -1.489 0.291 -8.509 327 HB3 TYR 51 2HB TYR 51 0.087 0.947 -8.080 328 HD1 TYR 51 1HD TYR 51 -0.380 3.841 -8.280 329 HD2 TYR 51 2HD TYR 51 -2.869 0.774 -6.699 330 HE1 TYR 51 1HE TYR 51 -1.463 5.487 -6.809 331 HE2 TYR 51 2HE TYR 51 -3.960 2.412 -5.224 332 HH TYR 51 HH TYR 51 -4.042 4.524 -4.560 333 H THR 52 H THR 52 -1.207 -0.578 -10.967 334 HA THR 52 HA THR 52 1.249 -1.797 -11.172 335 HB THR 52 HB THR 52 -1.041 -2.058 -13.131 336 HG1 THR 52 1HG THR 52 -1.962 -2.872 -11.401 337 HG21 THR 52 1HG2 THR 52 1.456 -3.644 -12.671 338 HG22 THR 52 2HG2 THR 52 0.718 -3.137 -14.190 339 HG23 THR 52 3HG2 THR 52 -0.005 -4.443 -13.250 340 H GLN 53 H GLN 53 -0.384 0.051 -13.752 341 HA GLN 53 HA GLN 53 1.594 -0.071 -15.671 342 HB2 GLN 53 1HB GLN 53 -0.043 2.410 -15.181 343 HB3 GLN 53 2HB GLN 53 0.563 1.795 -16.713 344 HG2 GLN 53 1HG GLN 53 -0.952 -0.270 -16.081 345 HG3 GLN 53 2HG GLN 53 -1.793 0.948 -15.123 346 HE21 GLN 53 1HE2 GLN 53 -1.963 3.111 -16.494 347 HE22 GLN 53 2HE2 GLN 53 -2.674 2.884 -18.052 348 H ALA 54 H ALA 54 1.106 2.625 -13.382 349 HA ALA 54 HA ALA 54 3.312 4.134 -13.953 350 HB1 ALA 54 1HB ALA 54 2.517 5.320 -12.257 351 HB2 ALA 54 2HB ALA 54 1.438 3.985 -11.847 352 HB3 ALA 54 3HB ALA 54 3.040 4.081 -11.115 353 H LEU 55 H LEU 55 3.176 1.437 -11.630 354 HA LEU 55 HA LEU 55 5.884 1.534 -10.883 355 HB2 LEU 55 1HB LEU 55 3.711 -0.491 -10.718 356 HB3 LEU 55 2HB LEU 55 5.367 -1.017 -10.423 357 HG LEU 55 HG LEU 55 3.954 1.169 -8.896 358 HD11 LEU 55 1HD1 LEU 55 3.311 -1.425 -8.718 359 HD12 LEU 55 2HD1 LEU 55 3.298 -0.328 -7.338 360 HD13 LEU 55 3HD1 LEU 55 4.682 -1.386 -7.609 361 HD21 LEU 55 1HD2 LEU 55 6.681 -0.052 -8.763 362 HD22 LEU 55 2HD2 LEU 55 5.922 0.590 -7.305 363 HD23 LEU 55 3HD2 LEU 55 6.207 1.646 -8.690 364 H GLY 56 H GLY 56 4.208 -0.232 -13.448 365 HA2 GLY 56 1HA GLY 56 6.241 -1.913 -14.298 366 HA3 GLY 56 2HA GLY 56 5.008 -1.236 -15.352 367 H LEU 57 H LEU 57 5.632 1.448 -15.276 368 HA LEU 57 HA LEU 57 7.712 1.606 -17.163 369 HB2 LEU 57 1HB LEU 57 6.449 3.779 -15.499 370 HB3 LEU 57 2HB LEU 57 7.493 4.051 -16.892 371 HG LEU 57 HG LEU 57 4.808 2.675 -16.978 372 HD11 LEU 57 1HD1 LEU 57 4.623 5.058 -16.431 373 HD12 LEU 57 2HD1 LEU 57 4.003 4.702 -18.043 374 HD13 LEU 57 3HD1 LEU 57 5.587 5.453 -17.855 375 HD21 LEU 57 1HD2 LEU 57 5.916 1.824 -18.803 376 HD22 LEU 57 2HD2 LEU 57 6.916 3.263 -19.006 377 HD23 LEU 57 3HD2 LEU 57 5.219 3.293 -19.488 378 H ASP 58 H ASP 58 9.660 2.996 -16.952 379 HA ASP 58 HA ASP 58 11.153 2.203 -14.605 380 HB2 ASP 58 1HB ASP 58 13.098 3.014 -15.776 381 HB3 ASP 58 2HB ASP 58 12.113 2.094 -16.910 382 H ALA 59 H ALA 59 9.106 3.967 -13.949 383 HA ALA 59 HA ALA 59 9.697 6.667 -13.862 384 HB1 ALA 59 1HB ALA 59 8.036 6.874 -12.275 385 HB2 ALA 59 2HB ALA 59 7.609 5.348 -13.049 386 HB3 ALA 59 3HB ALA 59 8.443 5.345 -11.495 387 H THR 60 H THR 60 10.285 7.928 -11.853 388 HA THR 60 HA THR 60 12.925 7.487 -11.150 389 HB THR 60 HB THR 60 12.269 8.988 -9.086 390 HG1 THR 60 1HG THR 60 10.107 9.685 -10.744 391 HG21 THR 60 1HG2 THR 60 12.159 10.975 -10.676 392 HG22 THR 60 2HG2 THR 60 12.227 9.796 -11.985 393 HG23 THR 60 3HG2 THR 60 13.558 9.914 -10.835 394 HA PRO 61 HA PRO 61 12.993 4.476 -7.957 395 HB2 PRO 61 1HB PRO 61 14.960 5.426 -6.344 396 HB3 PRO 61 2HB PRO 61 15.278 4.714 -7.931 397 HG2 PRO 61 1HG PRO 61 15.101 7.598 -7.150 398 HG3 PRO 61 2HG PRO 61 16.271 6.797 -8.215 399 HD2 PRO 61 1HD PRO 61 14.167 8.212 -9.166 400 HD3 PRO 61 2HD PRO 61 14.826 6.797 -10.011 401 H GLN 62 H GLN 62 12.177 7.723 -7.280 402 HA GLN 62 HA GLN 62 11.554 7.198 -4.481 403 HB2 GLN 62 1HB GLN 62 12.558 9.334 -4.916 404 HB3 GLN 62 2HB GLN 62 11.383 9.691 -6.175 405 HG2 GLN 62 1HG GLN 62 9.677 9.399 -4.191 406 HG3 GLN 62 2HG GLN 62 11.096 9.795 -3.222 407 HE21 GLN 62 1HE2 GLN 62 9.329 11.562 -2.851 408 HE22 GLN 62 2HE2 GLN 62 9.541 12.995 -3.794 409 H ASP 63 H ASP 63 9.970 7.656 -7.565 410 HA ASP 63 HA ASP 63 7.325 7.792 -6.423 411 HB2 ASP 63 1HB ASP 63 8.435 7.740 -9.207 412 HB3 ASP 63 2HB ASP 63 6.720 7.436 -8.945 413 H GLN 64 H GLN 64 9.473 5.337 -7.578 414 HA GLN 64 HA GLN 64 7.587 3.322 -8.156 415 HB2 GLN 64 1HB GLN 64 10.506 3.411 -7.593 416 HB3 GLN 64 2HB GLN 64 9.702 1.854 -7.445 417 HG2 GLN 64 1HG GLN 64 9.133 1.790 -9.694 418 HG3 GLN 64 2HG GLN 64 9.353 3.527 -9.897 419 HE21 GLN 64 1HE2 GLN 64 10.604 2.755 -11.774 420 HE22 GLN 64 2HE2 GLN 64 12.273 2.375 -11.540 421 H ALA 65 H ALA 65 9.028 4.438 -5.176 422 HA ALA 65 HA ALA 65 8.188 2.194 -3.604 423 HB1 ALA 65 1HB ALA 65 10.105 3.855 -3.136 424 HB2 ALA 65 2HB ALA 65 8.841 4.882 -2.460 425 HB3 ALA 65 3HB ALA 65 9.132 3.281 -1.782 426 H VAL 66 H VAL 66 7.173 5.618 -3.554 427 HA VAL 66 HA VAL 66 5.033 5.506 -1.898 428 HB VAL 66 HB VAL 66 5.756 7.585 -2.947 429 HG11 VAL 66 1HG1 VAL 66 5.134 8.140 -5.238 430 HG12 VAL 66 2HG1 VAL 66 6.172 6.713 -5.198 431 HG13 VAL 66 3HG1 VAL 66 4.435 6.535 -5.448 432 HG21 VAL 66 1HG2 VAL 66 3.065 7.782 -3.922 433 HG22 VAL 66 2HG2 VAL 66 3.103 6.809 -2.451 434 HG23 VAL 66 3HG2 VAL 66 3.767 8.443 -2.446 435 H LEU 67 H LEU 67 5.025 4.627 -5.334 436 HA LEU 67 HA LEU 67 2.276 4.061 -5.533 437 HB2 LEU 67 1HB LEU 67 4.596 2.927 -7.088 438 HB3 LEU 67 2HB LEU 67 2.900 2.763 -7.538 439 HG LEU 67 HG LEU 67 4.153 5.470 -7.239 440 HD11 LEU 67 1HD1 LEU 67 4.305 3.632 -9.616 441 HD12 LEU 67 2HD1 LEU 67 5.636 4.405 -8.755 442 HD13 LEU 67 3HD1 LEU 67 4.526 5.379 -9.719 443 HD21 LEU 67 1HD2 LEU 67 2.293 6.243 -8.274 444 HD22 LEU 67 2HD2 LEU 67 1.595 4.774 -7.590 445 HD23 LEU 67 3HD2 LEU 67 2.116 4.801 -9.275 446 H HIS 68 H HIS 68 5.043 2.063 -4.637 447 HA HIS 68 HA HIS 68 3.744 -0.422 -4.595 448 HB2 HIS 68 1HB HIS 68 6.178 0.682 -3.235 449 HB3 HIS 68 2HB HIS 68 5.581 -0.917 -2.800 450 HD1 HIS 68 1HD HIS 68 4.946 -2.217 -5.382 451 HD2 HIS 68 2HD HIS 68 8.224 0.299 -4.946 452 HE1 HIS 68 1HE HIS 68 6.530 -2.849 -7.230 453 HE2 HIS 68 2HE HIS 68 8.542 -1.372 -6.895 454 H ARG 69 H ARG 69 4.554 1.654 -1.805 455 HA ARG 69 HA ARG 69 3.119 0.259 0.111 456 HB2 ARG 69 1HB ARG 69 3.220 2.257 1.465 457 HB3 ARG 69 2HB ARG 69 4.731 2.085 0.583 458 HG2 ARG 69 1HG ARG 69 4.084 3.786 -0.977 459 HG3 ARG 69 2HG ARG 69 2.468 3.874 -0.273 460 HD2 ARG 69 1HD ARG 69 3.248 4.886 1.682 461 HD3 ARG 69 2HD ARG 69 4.912 4.386 1.384 462 HE ARG 69 HE ARG 69 3.842 6.197 -0.586 463 HH11 ARG 69 2HH1 ARG 69 5.514 5.896 2.453 464 HH12 ARG 69 1HH1 ARG 69 6.254 7.459 2.349 465 HH21 ARG 69 2HH2 ARG 69 4.810 8.257 -0.733 466 HH22 ARG 69 1HH2 ARG 69 5.852 8.802 0.537 467 H ASN 70 H ASN 70 2.012 2.538 -2.289 468 HA ASN 70 HA ASN 70 -0.543 3.036 -1.146 469 HB2 ASN 70 1HB ASN 70 0.757 3.528 -3.781 470 HB3 ASN 70 2HB ASN 70 -1.003 3.577 -3.719 471 HD21 ASN 70 1HD2 ASN 70 -2.016 5.250 -2.709 472 HD22 ASN 70 2HD2 ASN 70 -1.187 6.637 -2.097 473 H ARG 71 H ARG 71 0.587 0.833 -3.696 474 HA ARG 71 HA ARG 71 -1.790 -0.277 -4.499 475 HB2 ARG 71 1HB ARG 71 1.000 -1.302 -4.303 476 HB3 ARG 71 2HB ARG 71 -0.279 -2.463 -4.635 477 HG2 ARG 71 1HG ARG 71 -0.945 -1.193 -6.599 478 HG3 ARG 71 2HG ARG 71 0.303 0.007 -6.256 479 HD2 ARG 71 1HD ARG 71 1.387 -1.297 -7.799 480 HD3 ARG 71 2HD ARG 71 1.882 -2.088 -6.303 481 HE ARG 71 HE ARG 71 -0.504 -3.172 -7.515 482 HH11 ARG 71 2HH1 ARG 71 2.967 -3.328 -7.297 483 HH12 ARG 71 1HH1 ARG 71 3.058 -4.967 -7.850 484 HH21 ARG 71 2HH2 ARG 71 -0.397 -5.330 -8.244 485 HH22 ARG 71 1HH2 ARG 71 1.144 -6.105 -8.390 486 H ALA 72 H ALA 72 0.229 -1.324 -1.764 487 HA ALA 72 HA ALA 72 -0.958 -3.513 -0.813 488 HB1 ALA 72 1HB ALA 72 -0.624 -2.586 1.519 489 HB2 ALA 72 2HB ALA 72 0.788 -2.564 0.460 490 HB3 ALA 72 3HB ALA 72 -0.124 -1.081 0.746 491 H ALA 73 H ALA 73 -2.307 -0.252 -0.460 492 HA ALA 73 HA ALA 73 -4.491 -0.776 1.134 493 HB1 ALA 73 1HB ALA 73 -5.087 1.034 -1.090 494 HB2 ALA 73 2HB ALA 73 -5.109 1.324 0.650 495 HB3 ALA 73 3HB ALA 73 -3.586 1.397 -0.237 496 H CYS 74 H CYS 74 -4.477 -0.792 -2.437 497 HA CYS 74 HA CYS 74 -7.015 -1.570 -2.978 498 HB2 CYS 74 1HB CYS 74 -4.631 -2.813 -4.354 499 HB3 CYS 74 2HB CYS 74 -6.228 -2.523 -5.034 500 HG CYS 74 HG CYS 74 -5.984 0.221 -5.157 501 H HIS 75 H HIS 75 -4.343 -3.765 -2.151 502 HA HIS 75 HA HIS 75 -5.890 -6.131 -2.256 503 HB2 HIS 75 1HB HIS 75 -3.235 -5.417 -1.050 504 HB3 HIS 75 2HB HIS 75 -3.955 -6.995 -0.743 505 HD1 HIS 75 1HD HIS 75 -5.100 -7.480 -3.609 506 HD2 HIS 75 2HD HIS 75 -1.240 -6.199 -2.757 507 HE1 HIS 75 1HE HIS 75 -3.719 -8.132 -5.607 508 HE2 HIS 75 2HE HIS 75 -1.371 -7.423 -5.032 509 H LEU 76 H LEU 76 -4.777 -4.171 0.502 510 HA LEU 76 HA LEU 76 -5.839 -5.575 2.590 511 HB2 LEU 76 1HB LEU 76 -5.610 -2.615 2.145 512 HB3 LEU 76 2HB LEU 76 -6.212 -3.282 3.661 513 HG LEU 76 HG LEU 76 -3.517 -4.025 2.555 514 HD11 LEU 76 1HD1 LEU 76 -2.491 -2.275 3.723 515 HD12 LEU 76 2HD1 LEU 76 -3.968 -1.873 4.598 516 HD13 LEU 76 3HD1 LEU 76 -3.839 -1.515 2.876 517 HD21 LEU 76 1HD2 LEU 76 -3.209 -4.250 5.137 518 HD22 LEU 76 2HD2 LEU 76 -4.026 -5.522 4.228 519 HD23 LEU 76 3HD2 LEU 76 -4.970 -4.345 5.143 520 H LYS 77 H LYS 77 -7.532 -3.319 0.457 521 HA LYS 77 HA LYS 77 -10.023 -3.514 1.847 522 HB2 LYS 77 1HB LYS 77 -9.506 -2.587 -0.984 523 HB3 LYS 77 2HB LYS 77 -10.947 -2.269 -0.027 524 HG2 LYS 77 1HG LYS 77 -8.197 -1.321 0.736 525 HG3 LYS 77 2HG LYS 77 -9.350 -0.361 -0.194 526 HD2 LYS 77 1HD LYS 77 -10.098 -1.549 2.457 527 HD3 LYS 77 2HD LYS 77 -9.238 -0.011 2.355 528 HE2 LYS 77 1HE LYS 77 -11.018 0.930 1.009 529 HE3 LYS 77 2HE LYS 77 -11.856 -0.621 0.987 530 HZ1 LYS 77 1HZ LYS 77 -11.230 0.628 3.570 531 HZ2 LYS 77 2HZ LYS 77 -12.503 -0.407 3.159 532 HZ3 LYS 77 3HZ LYS 77 -12.540 1.213 2.674 533 H LEU 78 H LEU 78 -8.611 -5.070 -0.988 534 HA LEU 78 HA LEU 78 -11.020 -6.583 -1.522 535 HB2 LEU 78 1HB LEU 78 -8.266 -6.747 -2.738 536 HB3 LEU 78 2HB LEU 78 -9.683 -7.627 -3.308 537 HG LEU 78 HG LEU 78 -9.765 -4.644 -3.195 538 HD11 LEU 78 1HD1 LEU 78 -7.686 -5.853 -4.476 539 HD12 LEU 78 2HD1 LEU 78 -8.385 -4.297 -4.920 540 HD13 LEU 78 3HD1 LEU 78 -8.898 -5.763 -5.754 541 HD21 LEU 78 1HD2 LEU 78 -10.951 -6.679 -5.080 542 HD22 LEU 78 2HD2 LEU 78 -11.270 -4.945 -5.076 543 HD23 LEU 78 3HD2 LEU 78 -11.787 -5.940 -3.714 544 H GLU 79 H GLU 79 -10.171 -7.058 1.051 545 HA GLU 79 HA GLU 79 -9.329 -8.645 2.504 546 HB2 GLU 79 1HB GLU 79 -11.611 -9.404 1.502 547 HB3 GLU 79 2HB GLU 79 -10.650 -10.621 0.674 548 HG2 GLU 79 1HG GLU 79 -9.735 -11.196 2.997 549 HG3 GLU 79 2HG GLU 79 -11.101 -10.266 3.611 550 H ASP 80 H ASP 80 -7.290 -8.015 0.808 551 HA ASP 80 HA ASP 80 -6.027 -10.636 0.355 552 HB2 ASP 80 1HB ASP 80 -6.687 -9.369 -1.767 553 HB3 ASP 80 2HB ASP 80 -5.438 -8.206 -1.331 554 H TYR 81 H TYR 81 -5.884 -9.104 2.729 555 HA TYR 81 HA TYR 81 -3.840 -7.344 3.080 556 HB2 TYR 81 1HB TYR 81 -4.346 -9.681 4.928 557 HB3 TYR 81 2HB TYR 81 -3.655 -8.120 5.356 558 HD1 TYR 81 1HD TYR 81 -6.759 -9.828 4.297 559 HD2 TYR 81 2HD TYR 81 -5.045 -6.263 5.865 560 HE1 TYR 81 1HE TYR 81 -9.008 -8.989 4.832 561 HE2 TYR 81 2HE TYR 81 -7.290 -5.415 6.405 562 HH TYR 81 HH TYR 81 -9.913 -6.245 5.179 563 H ASP 82 H ASP 82 -3.534 -10.882 2.972 564 HA ASP 82 HA ASP 82 -0.975 -11.384 3.538 565 HB2 ASP 82 1HB ASP 82 -2.046 -12.417 0.923 566 HB3 ASP 82 2HB ASP 82 -1.029 -13.244 2.100 567 H LYS 83 H LYS 83 -1.890 -10.485 0.206 568 HA LYS 83 HA LYS 83 0.703 -10.065 -0.728 569 HB2 LYS 83 1HB LYS 83 -1.835 -8.698 -1.642 570 HB3 LYS 83 2HB LYS 83 -0.336 -8.800 -2.555 571 HG2 LYS 83 1HG LYS 83 -0.716 -11.392 -2.190 572 HG3 LYS 83 2HG LYS 83 -2.396 -10.871 -2.044 573 HD2 LYS 83 1HD LYS 83 -2.051 -11.393 -4.330 574 HD3 LYS 83 2HD LYS 83 -2.073 -9.631 -4.220 575 HE2 LYS 83 1HE LYS 83 -0.219 -9.899 -5.519 576 HE3 LYS 83 2HE LYS 83 0.534 -9.985 -3.928 577 HZ1 LYS 83 1HZ LYS 83 -0.124 -12.544 -4.349 578 HZ2 LYS 83 2HZ LYS 83 1.386 -11.881 -4.725 579 HZ3 LYS 83 3HZ LYS 83 0.211 -12.046 -5.931 580 H ALA 84 H ALA 84 -1.603 -7.771 0.687 581 HA ALA 84 HA ALA 84 -0.315 -5.388 0.344 582 HB1 ALA 84 1HB ALA 84 -1.574 -4.539 2.096 583 HB2 ALA 84 2HB ALA 84 -2.516 -5.939 1.581 584 HB3 ALA 84 3HB ALA 84 -1.495 -6.042 3.015 585 H GLU 85 H GLU 85 0.150 -7.528 3.166 586 HA GLU 85 HA GLU 85 2.059 -6.251 4.563 587 HB2 GLU 85 1HB GLU 85 1.157 -8.503 5.101 588 HB3 GLU 85 2HB GLU 85 2.206 -9.189 3.868 589 HG2 GLU 85 1HG GLU 85 3.281 -7.598 6.172 590 HG3 GLU 85 2HG GLU 85 2.987 -9.333 6.278 591 H THR 86 H THR 86 2.736 -8.300 1.733 592 HA THR 86 HA THR 86 5.509 -7.904 1.678 593 HB THR 86 HB THR 86 3.757 -8.367 -0.740 594 HG1 THR 86 1HG THR 86 3.416 -10.315 0.005 595 HG21 THR 86 1HG2 THR 86 6.452 -7.931 -0.614 596 HG22 THR 86 2HG2 THR 86 5.636 -8.845 -1.882 597 HG23 THR 86 3HG2 THR 86 6.365 -9.689 -0.516 598 H GLU 87 H GLU 87 3.113 -6.426 -0.521 599 HA GLU 87 HA GLU 87 4.671 -4.603 -1.790 600 HB2 GLU 87 1HB GLU 87 1.839 -4.276 -0.799 601 HB3 GLU 87 2HB GLU 87 2.619 -3.123 -1.873 602 HG2 GLU 87 1HG GLU 87 2.973 -4.963 -3.500 603 HG3 GLU 87 2HG GLU 87 2.039 -6.019 -2.442 604 H ALA 88 H ALA 88 3.717 -4.548 1.535 605 HA ALA 88 HA ALA 88 4.423 -1.776 1.946 606 HB1 ALA 88 1HB ALA 88 2.780 -3.497 3.272 607 HB2 ALA 88 2HB ALA 88 4.201 -3.478 4.318 608 HB3 ALA 88 3HB ALA 88 3.379 -1.970 3.920 609 H SER 89 H SER 89 5.778 -4.945 2.811 610 HA SER 89 HA SER 89 8.040 -3.943 4.170 611 HB2 SER 89 1HB SER 89 7.213 -6.270 4.398 612 HB3 SER 89 2HB SER 89 7.736 -6.599 2.747 613 HG SER 89 HG SER 89 9.196 -6.495 5.048 614 H LYS 90 H LYS 90 7.281 -4.219 0.836 615 HA LYS 90 HA LYS 90 10.056 -4.081 -0.025 616 HB2 LYS 90 1HB LYS 90 9.234 -4.311 -2.247 617 HB3 LYS 90 2HB LYS 90 8.301 -5.418 -1.248 618 HG2 LYS 90 1HG LYS 90 6.441 -3.871 -1.213 619 HG3 LYS 90 2HG LYS 90 7.379 -2.690 -2.130 620 HD2 LYS 90 1HD LYS 90 5.814 -3.920 -3.563 621 HD3 LYS 90 2HD LYS 90 7.492 -4.221 -4.019 622 HE2 LYS 90 1HE LYS 90 6.201 -6.071 -2.080 623 HE3 LYS 90 2HE LYS 90 5.737 -6.186 -3.777 624 HZ1 LYS 90 1HZ LYS 90 8.433 -6.072 -3.897 625 HZ2 LYS 90 2HZ LYS 90 7.519 -7.493 -3.955 626 HZ3 LYS 90 3HZ LYS 90 8.184 -6.975 -2.488 627 H ALA 91 H ALA 91 7.175 -2.036 0.060 628 HA ALA 91 HA ALA 91 8.257 0.162 -1.332 629 HB1 ALA 91 1HB ALA 91 6.070 0.087 0.744 630 HB2 ALA 91 2HB ALA 91 6.423 1.452 -0.318 631 HB3 ALA 91 3HB ALA 91 5.869 -0.077 -1.001 632 H ILE 92 H ILE 92 8.462 -0.856 2.007 633 HA ILE 92 HA ILE 92 9.401 1.586 3.088 634 HB ILE 92 HB ILE 92 9.673 -1.261 4.036 635 HG12 ILE 92 1HG1 ILE 92 8.145 0.938 5.387 636 HG13 ILE 92 2HG1 ILE 92 7.445 0.113 3.998 637 HG21 ILE 92 1HG2 ILE 92 10.135 0.494 6.178 638 HG22 ILE 92 2HG2 ILE 92 11.273 -0.630 5.437 639 HG23 ILE 92 3HG2 ILE 92 11.176 1.034 4.861 640 HD11 ILE 92 1HD1 ILE 92 6.720 -1.462 5.362 641 HD12 ILE 92 2HD1 ILE 92 8.393 -1.891 5.720 642 HD13 ILE 92 3HD1 ILE 92 7.551 -0.712 6.725 643 H GLU 93 H GLU 93 11.180 -1.405 2.287 644 HA GLU 93 HA GLU 93 13.743 -0.473 2.738 645 HB2 GLU 93 1HB GLU 93 14.500 -2.237 1.198 646 HB3 GLU 93 2HB GLU 93 13.269 -2.820 2.310 647 HG2 GLU 93 1HG GLU 93 11.592 -2.717 0.598 648 HG3 GLU 93 2HG GLU 93 12.724 -1.958 -0.520 649 H LYS 94 H LYS 94 11.671 -0.025 -0.057 650 HA LYS 94 HA LYS 94 13.532 0.909 -1.905 651 HB2 LYS 94 1HB LYS 94 10.605 1.296 -1.496 652 HB3 LYS 94 2HB LYS 94 11.424 2.353 -2.638 653 HG2 LYS 94 1HG LYS 94 11.866 -0.579 -2.850 654 HG3 LYS 94 2HG LYS 94 10.332 0.094 -3.406 655 HD2 LYS 94 1HD LYS 94 11.504 1.601 -4.903 656 HD3 LYS 94 2HD LYS 94 13.060 1.023 -4.302 657 HE2 LYS 94 1HE LYS 94 12.589 -0.045 -6.404 658 HE3 LYS 94 2HE LYS 94 12.479 -1.243 -5.117 659 HZ1 LYS 94 1HZ LYS 94 9.991 -0.677 -5.160 660 HZ2 LYS 94 2HZ LYS 94 10.613 -1.654 -6.393 661 HZ3 LYS 94 3HZ LYS 94 10.305 -0.016 -6.685 662 H ASP 95 H ASP 95 11.823 2.623 0.666 663 HA ASP 95 HA ASP 95 13.334 5.058 0.025 664 HB2 ASP 95 1HB ASP 95 11.012 4.762 1.938 665 HB3 ASP 95 2HB ASP 95 11.722 6.265 1.356 666 H GLY 96 H GLY 96 12.190 3.436 2.997 667 HA2 GLY 96 1HA GLY 96 14.016 2.579 4.485 668 HA3 GLY 96 2HA GLY 96 14.785 4.138 4.224 669 H GLY 97 H GLY 97 12.922 5.977 4.599 670 HA2 GLY 97 1HA GLY 97 11.896 5.413 7.313 671 HA3 GLY 97 2HA GLY 97 12.555 6.969 6.830 672 H ASP 98 H ASP 98 10.136 4.724 5.476 673 HA ASP 98 HA ASP 98 8.313 7.025 5.222 674 HB2 ASP 98 1HB ASP 98 7.214 5.644 3.407 675 HB3 ASP 98 2HB ASP 98 8.833 6.232 3.037 676 H VAL 99 H VAL 99 7.327 6.826 7.224 677 HA VAL 99 HA VAL 99 6.410 4.459 8.393 678 HB VAL 99 HB VAL 99 5.124 5.792 9.875 679 HG11 VAL 99 1HG1 VAL 99 7.681 6.078 9.791 680 HG12 VAL 99 2HG1 VAL 99 7.332 7.678 9.134 681 HG13 VAL 99 3HG1 VAL 99 6.738 7.232 10.734 682 HG21 VAL 99 1HG2 VAL 99 5.188 7.851 7.687 683 HG22 VAL 99 2HG2 VAL 99 3.786 7.108 8.457 684 HG23 VAL 99 3HG2 VAL 99 4.774 8.262 9.352 685 H LYS 100 H LYS 100 4.812 6.702 6.175 686 HA LYS 100 HA LYS 100 2.235 6.019 6.145 687 HB2 LYS 100 1HB LYS 100 3.967 6.129 3.667 688 HB3 LYS 100 2HB LYS 100 2.215 6.283 3.691 689 HG2 LYS 100 1HG LYS 100 2.778 8.237 5.385 690 HG3 LYS 100 2HG LYS 100 4.305 8.222 4.500 691 HD2 LYS 100 1HD LYS 100 3.331 8.892 2.536 692 HD3 LYS 100 2HD LYS 100 1.768 8.180 2.944 693 HE2 LYS 100 1HE LYS 100 1.282 10.406 3.177 694 HE3 LYS 100 2HE LYS 100 1.788 10.020 4.821 695 HZ1 LYS 100 1HZ LYS 100 2.869 11.924 3.099 696 HZ2 LYS 100 2HZ LYS 100 4.048 10.730 3.312 697 HZ3 LYS 100 3HZ LYS 100 3.389 11.518 4.657 698 H ALA 101 H ALA 101 4.771 4.032 4.641 699 HA ALA 101 HA ALA 101 3.024 1.962 3.804 700 HB1 ALA 101 1HB ALA 101 4.874 1.520 2.654 701 HB2 ALA 101 2HB ALA 101 5.860 2.500 3.739 702 HB3 ALA 101 3HB ALA 101 5.535 0.811 4.127 703 H LEU 102 H LEU 102 5.117 2.348 6.646 704 HA LEU 102 HA LEU 102 4.833 -0.121 7.822 705 HB2 LEU 102 1HB LEU 102 5.129 2.634 8.951 706 HB3 LEU 102 2HB LEU 102 4.933 1.250 10.025 707 HG LEU 102 HG LEU 102 7.094 1.249 7.954 708 HD11 LEU 102 1HD1 LEU 102 8.191 2.057 10.421 709 HD12 LEU 102 2HD1 LEU 102 6.862 3.158 10.062 710 HD13 LEU 102 3HD1 LEU 102 8.166 2.942 8.895 711 HD21 LEU 102 1HD2 LEU 102 6.544 -0.123 10.560 712 HD22 LEU 102 2HD2 LEU 102 8.180 -0.033 9.908 713 HD23 LEU 102 3HD2 LEU 102 6.905 -0.827 8.983 714 H TYR 103 H TYR 103 2.761 2.722 8.416 715 HA TYR 103 HA TYR 103 0.929 1.589 10.124 716 HB2 TYR 103 1HB TYR 103 0.961 3.978 9.544 717 HB3 TYR 103 2HB TYR 103 0.360 3.598 7.934 718 HD1 TYR 103 2HD TYR 103 -0.658 2.476 11.353 719 HD2 TYR 103 1HD TYR 103 -1.806 4.362 7.716 720 HE1 TYR 103 2HE TYR 103 -2.968 2.651 12.179 721 HE2 TYR 103 1HE TYR 103 -4.119 4.544 8.532 722 HH TYR 103 HH TYR 103 -5.037 3.312 11.738 723 H ARG 104 H ARG 104 0.917 1.532 6.579 724 HA ARG 104 HA ARG 104 -1.537 0.175 6.285 725 HB2 ARG 104 1HB ARG 104 0.873 0.419 4.487 726 HB3 ARG 104 2HB ARG 104 -0.587 -0.435 4.005 727 HG2 ARG 104 1HG ARG 104 -0.758 2.384 4.975 728 HG3 ARG 104 2HG ARG 104 -0.256 2.039 3.318 729 HD2 ARG 104 1HD ARG 104 -2.306 1.126 2.750 730 HD3 ARG 104 2HD ARG 104 -2.723 0.768 4.426 731 HE ARG 104 HE ARG 104 -2.546 3.530 4.192 732 HH11 ARG 104 2HH1 ARG 104 -4.489 0.933 2.928 733 HH12 ARG 104 1HH1 ARG 104 -5.904 1.914 2.731 734 HH21 ARG 104 2HH2 ARG 104 -4.402 4.832 3.937 735 HH22 ARG 104 1HH2 ARG 104 -5.853 4.131 3.304 736 H ARG 105 H ARG 105 1.815 -1.017 6.297 737 HA ARG 105 HA ARG 105 1.354 -3.696 5.836 738 HB2 ARG 105 1HB ARG 105 3.591 -2.597 6.019 739 HB3 ARG 105 2HB ARG 105 3.394 -2.582 7.766 740 HG2 ARG 105 1HG ARG 105 3.418 -4.966 7.863 741 HG3 ARG 105 2HG ARG 105 3.358 -5.088 6.103 742 HD2 ARG 105 1HD ARG 105 5.554 -4.255 5.873 743 HD3 ARG 105 2HD ARG 105 5.601 -3.702 7.547 744 HE ARG 105 HE ARG 105 5.240 -6.531 7.331 745 HH11 ARG 105 2HH1 ARG 105 7.599 -3.971 7.277 746 HH12 ARG 105 1HH1 ARG 105 8.907 -4.990 7.780 747 HH21 ARG 105 2HH2 ARG 105 6.954 -7.882 7.993 748 HH22 ARG 105 1HH2 ARG 105 8.539 -7.214 8.186 749 H SER 106 H SER 106 1.482 -2.058 8.997 750 HA SER 106 HA SER 106 1.026 -4.167 10.677 751 HB2 SER 106 1HB SER 106 0.198 -2.604 12.283 752 HB3 SER 106 2HB SER 106 1.383 -1.735 11.308 753 HG SER 106 HG SER 106 -0.140 -0.454 10.637 754 H GLN 107 H GLN 107 -1.447 -2.241 8.999 755 HA GLN 107 HA GLN 107 -3.743 -3.347 9.976 756 HB2 GLN 107 1HB GLN 107 -3.229 -2.686 7.072 757 HB3 GLN 107 2HB GLN 107 -4.804 -2.796 7.846 758 HG2 GLN 107 1HG GLN 107 -2.787 -0.886 8.920 759 HG3 GLN 107 2HG GLN 107 -3.667 -0.482 7.447 760 HE21 GLN 107 1HE2 GLN 107 -4.137 1.241 9.268 761 HE22 GLN 107 2HE2 GLN 107 -5.635 0.995 10.093 762 H ALA 108 H ALA 108 -1.599 -4.704 7.523 763 HA ALA 108 HA ALA 108 -3.269 -6.942 6.933 764 HB1 ALA 108 1HB ALA 108 -1.833 -7.262 5.265 765 HB2 ALA 108 2HB ALA 108 -0.999 -5.806 5.811 766 HB3 ALA 108 3HB ALA 108 -0.468 -7.391 6.375 767 H LEU 109 H LEU 109 -0.411 -6.456 8.977 768 HA LEU 109 HA LEU 109 0.032 -9.069 9.778 769 HB2 LEU 109 1HB LEU 109 0.370 -6.496 11.304 770 HB3 LEU 109 2HB LEU 109 0.968 -8.055 11.870 771 HG LEU 109 HG LEU 109 1.829 -6.822 9.261 772 HD11 LEU 109 1HD1 LEU 109 2.320 -5.634 11.632 773 HD12 LEU 109 2HD1 LEU 109 3.427 -5.593 10.259 774 HD13 LEU 109 3HD1 LEU 109 3.671 -6.764 11.554 775 HD21 LEU 109 1HD2 LEU 109 3.851 -8.358 9.958 776 HD22 LEU 109 2HD2 LEU 109 2.441 -9.023 9.132 777 HD23 LEU 109 3HD2 LEU 109 2.603 -9.197 10.881 778 H GLU 110 H GLU 110 -1.881 -6.617 11.531 779 HA GLU 110 HA GLU 110 -2.843 -8.112 13.593 780 HB2 GLU 110 1HB GLU 110 -4.172 -5.960 11.964 781 HB3 GLU 110 2HB GLU 110 -4.979 -6.696 13.342 782 HG2 GLU 110 1HG GLU 110 -3.407 -5.859 14.857 783 HG3 GLU 110 2HG GLU 110 -2.249 -5.486 13.581 784 H LYS 111 H LYS 111 -3.998 -8.107 10.263 785 HA LYS 111 HA LYS 111 -6.234 -9.808 10.746 786 HB2 LYS 111 1HB LYS 111 -4.837 -8.730 8.349 787 HB3 LYS 111 2HB LYS 111 -5.850 -10.151 8.127 788 HG2 LYS 111 1HG LYS 111 -6.968 -7.817 9.594 789 HG3 LYS 111 2HG LYS 111 -6.817 -7.732 7.837 790 HD2 LYS 111 1HD LYS 111 -8.217 -9.626 7.539 791 HD3 LYS 111 2HD LYS 111 -8.161 -10.021 9.259 792 HE2 LYS 111 1HE LYS 111 -9.243 -7.381 8.370 793 HE3 LYS 111 2HE LYS 111 -10.250 -8.822 8.254 794 HZ1 LYS 111 1HZ LYS 111 -8.925 -7.897 10.744 795 HZ2 LYS 111 2HZ LYS 111 -10.013 -9.184 10.598 796 HZ3 LYS 111 3HZ LYS 111 -10.543 -7.597 10.352 797 H LEU 112 H LEU 112 -3.008 -10.366 9.351 798 HA LEU 112 HA LEU 112 -3.288 -13.108 8.887 799 HB2 LEU 112 1HB LEU 112 -0.782 -11.598 9.614 800 HB3 LEU 112 2HB LEU 112 -0.851 -13.185 8.850 801 HG LEU 112 HG LEU 112 -1.953 -10.694 7.567 802 HD11 LEU 112 1HD1 LEU 112 0.352 -10.242 7.833 803 HD12 LEU 112 2HD1 LEU 112 0.146 -10.814 6.178 804 HD13 LEU 112 3HD1 LEU 112 0.799 -11.895 7.409 805 HD21 LEU 112 1HD2 LEU 112 -1.978 -13.494 6.930 806 HD22 LEU 112 2HD2 LEU 112 -1.097 -12.595 5.695 807 HD23 LEU 112 3HD2 LEU 112 -2.757 -12.149 6.096 808 H GLY 113 H GLY 113 -2.675 -11.336 11.813 809 HA2 GLY 113 1HA GLY 113 -3.227 -12.365 13.925 810 HA3 GLY 113 2HA GLY 113 -2.650 -13.893 13.277 811 H ARG 114 H ARG 114 -1.035 -10.761 13.057 812 HA ARG 114 HA ARG 114 1.118 -11.850 14.751 813 HB2 ARG 114 1HB ARG 114 1.333 -10.035 12.344 814 HB3 ARG 114 2HB ARG 114 2.675 -10.442 13.404 815 HG2 ARG 114 1HG ARG 114 2.450 -12.793 12.804 816 HG3 ARG 114 2HG ARG 114 1.086 -12.398 11.756 817 HD2 ARG 114 1HD ARG 114 2.421 -11.339 10.197 818 HD3 ARG 114 2HD ARG 114 3.702 -11.012 11.364 819 HE ARG 114 HE ARG 114 3.369 -13.804 10.920 820 HH11 ARG 114 2HH1 ARG 114 4.742 -10.907 9.564 821 HH12 ARG 114 1HH1 ARG 114 5.971 -11.747 8.678 822 HH21 ARG 114 2HH2 ARG 114 4.983 -14.923 9.758 823 HH22 ARG 114 1HH2 ARG 114 6.107 -14.032 8.789 824 H LEU 115 H LEU 115 -1.006 -10.459 15.872 825 HA LEU 115 HA LEU 115 -0.956 -7.765 16.148 826 HB2 LEU 115 1HB LEU 115 -1.103 -9.633 18.504 827 HB3 LEU 115 2HB LEU 115 -1.807 -8.023 18.371 828 HG LEU 115 HG LEU 115 -2.677 -10.436 16.781 829 HD11 LEU 115 1HD1 LEU 115 -3.463 -10.946 18.872 830 HD12 LEU 115 2HD1 LEU 115 -4.787 -9.957 18.258 831 HD13 LEU 115 3HD1 LEU 115 -3.599 -9.255 19.356 832 HD21 LEU 115 1HD2 LEU 115 -3.618 -8.926 15.446 833 HD22 LEU 115 2HD2 LEU 115 -3.179 -7.600 16.522 834 HD23 LEU 115 3HD2 LEU 115 -4.670 -8.502 16.797 835 H ASP 116 H ASP 116 1.228 -10.039 17.772 836 HA ASP 116 HA ASP 116 2.627 -8.291 19.387 837 HB2 ASP 116 1HB ASP 116 3.563 -10.750 17.906 838 HB3 ASP 116 2HB ASP 116 4.567 -9.894 19.074 839 H GLN 117 H GLN 117 3.117 -9.003 15.958 840 HA GLN 117 HA GLN 117 5.408 -7.287 15.735 841 HB2 GLN 117 1HB GLN 117 3.677 -8.498 13.572 842 HB3 GLN 117 2HB GLN 117 5.244 -7.737 13.329 843 HG2 GLN 117 1HG GLN 117 5.062 -10.007 15.235 844 HG3 GLN 117 2HG GLN 117 4.984 -10.348 13.507 845 HE21 GLN 117 1HE2 GLN 117 6.897 -11.136 12.971 846 HE22 GLN 117 2HE2 GLN 117 8.425 -10.422 13.346 847 H ALA 118 H ALA 118 1.981 -7.072 14.874 848 HA ALA 118 HA ALA 118 1.872 -4.759 13.439 849 HB1 ALA 118 1HB ALA 118 -0.224 -5.552 13.647 850 HB2 ALA 118 2HB ALA 118 0.038 -6.115 15.298 851 HB3 ALA 118 3HB ALA 118 -0.308 -4.413 14.991 852 H VAL 119 H VAL 119 2.356 -5.081 16.909 853 HA VAL 119 HA VAL 119 2.110 -2.300 17.492 854 HB VAL 119 HB VAL 119 3.527 -4.424 19.107 855 HG11 VAL 119 1HG1 VAL 119 4.076 -2.736 20.444 856 HG12 VAL 119 2HG1 VAL 119 3.141 -1.595 19.475 857 HG13 VAL 119 3HG1 VAL 119 2.359 -2.504 20.768 858 HG21 VAL 119 1HG2 VAL 119 1.160 -4.048 20.353 859 HG22 VAL 119 2HG2 VAL 119 0.674 -3.839 18.670 860 HG23 VAL 119 3HG2 VAL 119 1.464 -5.331 19.181 861 H LEU 120 H LEU 120 4.812 -4.455 16.780 862 HA LEU 120 HA LEU 120 6.868 -2.593 17.351 863 HB2 LEU 120 1HB LEU 120 6.959 -4.915 15.433 864 HB3 LEU 120 2HB LEU 120 8.335 -4.111 16.184 865 HG LEU 120 HG LEU 120 6.257 -5.554 17.808 866 HD11 LEU 120 1HD1 LEU 120 8.054 -6.726 15.950 867 HD12 LEU 120 2HD1 LEU 120 6.984 -7.523 17.103 868 HD13 LEU 120 3HD1 LEU 120 8.627 -7.091 17.578 869 HD21 LEU 120 1HD2 LEU 120 7.778 -5.429 19.548 870 HD22 LEU 120 2HD2 LEU 120 7.998 -3.875 18.742 871 HD23 LEU 120 3HD2 LEU 120 9.151 -5.182 18.468 872 H ASP 121 H ASP 121 5.132 -3.443 14.390 873 HA ASP 121 HA ASP 121 6.670 -1.796 12.666 874 HB2 ASP 121 1HB ASP 121 5.274 -3.681 11.870 875 HB3 ASP 121 2HB ASP 121 3.829 -2.774 12.309 876 H LEU 122 H LEU 122 3.657 -1.303 14.449 877 HA LEU 122 HA LEU 122 3.151 1.290 13.380 878 HB2 LEU 122 1HB LEU 122 2.086 -0.270 15.704 879 HB3 LEU 122 2HB LEU 122 1.644 1.421 15.476 880 HG LEU 122 HG LEU 122 1.148 -0.760 13.452 881 HD11 LEU 122 1HD1 LEU 122 -1.285 0.123 14.393 882 HD12 LEU 122 2HD1 LEU 122 -0.301 0.004 15.852 883 HD13 LEU 122 3HD1 LEU 122 -0.500 -1.402 14.805 884 HD21 LEU 122 1HD2 LEU 122 1.245 1.979 13.122 885 HD22 LEU 122 2HD2 LEU 122 -0.473 1.649 13.346 886 HD23 LEU 122 3HD2 LEU 122 0.425 0.829 12.066 887 H GLN 123 H GLN 123 4.539 0.120 16.432 888 HA GLN 123 HA GLN 123 4.889 2.400 17.851 889 HB2 GLN 123 1HB GLN 123 6.701 0.035 17.483 890 HB3 GLN 123 2HB GLN 123 7.170 1.366 18.531 891 HG2 GLN 123 1HG GLN 123 4.485 0.165 18.917 892 HG3 GLN 123 2HG GLN 123 5.895 -0.751 19.446 893 HE21 GLN 123 1HE2 GLN 123 5.699 -0.586 21.601 894 HE22 GLN 123 2HE2 GLN 123 5.714 0.903 22.477 895 H ARG 124 H ARG 124 6.813 1.362 15.079 896 HA ARG 124 HA ARG 124 8.759 3.402 15.233 897 HB2 ARG 124 1HB ARG 124 7.782 1.824 12.846 898 HB3 ARG 124 2HB ARG 124 9.223 2.832 12.864 899 HG2 ARG 124 1HG ARG 124 10.376 1.383 14.261 900 HG3 ARG 124 2HG ARG 124 8.898 0.609 14.836 901 HD2 ARG 124 1HD ARG 124 8.644 -0.076 12.321 902 HD3 ARG 124 2HD ARG 124 10.383 0.213 12.278 903 HE ARG 124 HE ARG 124 9.526 -1.494 14.432 904 HH11 ARG 124 2HH1 ARG 124 10.535 -1.346 11.104 905 HH12 ARG 124 1HH1 ARG 124 11.073 -2.992 11.058 906 HH21 ARG 124 2HH2 ARG 124 10.230 -3.663 14.384 907 HH22 ARG 124 1HH2 ARG 124 10.898 -4.310 12.924 908 H CYS 125 H CYS 125 5.813 3.121 13.251 909 HA CYS 125 HA CYS 125 5.861 5.370 11.768 910 HB2 CYS 125 1HB CYS 125 3.501 4.302 13.327 911 HB3 CYS 125 2HB CYS 125 3.377 5.492 12.038 912 HG CYS 125 HG CYS 125 2.644 2.758 11.317 913 H VAL 126 H VAL 126 5.126 5.214 15.218 914 HA VAL 126 HA VAL 126 4.459 7.962 15.499 915 HB VAL 126 HB VAL 126 5.502 6.140 17.667 916 HG11 VAL 126 1HG1 VAL 126 5.423 8.359 18.457 917 HG12 VAL 126 2HG1 VAL 126 3.880 8.672 17.659 918 HG13 VAL 126 3HG1 VAL 126 3.951 7.593 19.053 919 HG21 VAL 126 1HG2 VAL 126 3.296 5.644 16.085 920 HG22 VAL 126 2HG2 VAL 126 3.593 4.980 17.692 921 HG23 VAL 126 3HG2 VAL 126 2.615 6.436 17.506 922 H SER 127 H SER 127 7.445 6.117 15.881 923 HA SER 127 HA SER 127 9.013 8.160 17.006 924 HB2 SER 127 1HB SER 127 9.655 5.754 16.945 925 HB3 SER 127 2HB SER 127 9.946 5.906 15.212 926 HG SER 127 HG SER 127 11.807 6.168 16.709 927 H LEU 128 H LEU 128 8.862 7.049 13.619 928 HA LEU 128 HA LEU 128 10.474 9.108 12.582 929 HB2 LEU 128 1HB LEU 128 8.598 7.101 11.464 930 HB3 LEU 128 2HB LEU 128 9.028 8.469 10.439 931 HG LEU 128 HG LEU 128 10.983 6.523 11.664 932 HD11 LEU 128 1HD1 LEU 128 9.930 5.280 10.023 933 HD12 LEU 128 2HD1 LEU 128 11.281 5.998 9.147 934 HD13 LEU 128 3HD1 LEU 128 9.664 6.682 8.985 935 HD21 LEU 128 1HD2 LEU 128 12.350 8.292 11.353 936 HD22 LEU 128 2HD2 LEU 128 11.263 9.069 10.201 937 HD23 LEU 128 3HD2 LEU 128 12.311 7.751 9.674 938 H GLU 129 H GLU 129 6.991 8.843 13.060 939 HA GLU 129 HA GLU 129 6.749 11.684 12.313 940 HB2 GLU 129 1HB GLU 129 4.747 9.452 11.936 941 HB3 GLU 129 2HB GLU 129 4.378 11.155 11.701 942 HG2 GLU 129 1HG GLU 129 6.225 9.413 10.107 943 HG3 GLU 129 2HG GLU 129 4.793 10.285 9.563 944 HA PRO 130 HA PRO 130 5.681 11.528 16.746 945 HB2 PRO 130 1HB PRO 130 6.399 14.104 17.216 946 HB3 PRO 130 2HB PRO 130 7.561 12.772 17.191 947 HG2 PRO 130 1HG PRO 130 6.913 14.760 15.049 948 HG3 PRO 130 2HG PRO 130 8.496 14.155 15.572 949 HD2 PRO 130 1HD PRO 130 7.242 13.228 13.359 950 HD3 PRO 130 2HD PRO 130 8.292 12.205 14.360 951 H LYS 131 H LYS 131 4.814 13.825 14.234 952 HA LYS 131 HA LYS 131 2.651 14.990 15.733 953 HB2 LYS 131 1HB LYS 131 2.109 16.128 13.601 954 HB3 LYS 131 2HB LYS 131 3.789 16.341 14.077 955 HG2 LYS 131 1HG LYS 131 4.497 14.686 12.472 956 HG3 LYS 131 2HG LYS 131 2.819 14.334 12.051 957 HD2 LYS 131 1HD LYS 131 2.524 16.474 11.072 958 HD3 LYS 131 2HD LYS 131 4.041 17.069 11.749 959 HE2 LYS 131 1HE LYS 131 3.957 14.765 9.826 960 HE3 LYS 131 2HE LYS 131 4.007 16.436 9.269 961 HZ1 LYS 131 1HZ LYS 131 6.110 14.811 10.322 962 HZ2 LYS 131 2HZ LYS 131 5.993 16.291 11.132 963 HZ3 LYS 131 3HZ LYS 131 6.201 16.261 9.454 964 H ASN 132 H ASN 132 2.943 12.689 13.047 965 HA ASN 132 HA ASN 132 0.317 12.282 12.394 966 HB2 ASN 132 1HB ASN 132 2.683 10.442 12.481 967 HB3 ASN 132 2HB ASN 132 1.096 9.801 12.067 968 HD21 ASN 132 1HD2 ASN 132 0.417 9.981 10.041 969 HD22 ASN 132 2HD2 ASN 132 1.172 10.935 8.814 970 H LYS 133 H LYS 133 -1.276 12.189 13.864 971 HA LYS 133 HA LYS 133 -0.980 10.697 16.322 972 HB2 LYS 133 1HB LYS 133 -2.311 12.921 15.867 973 HB3 LYS 133 2HB LYS 133 -3.594 11.817 15.392 974 HG2 LYS 133 1HG LYS 133 -4.012 12.277 17.639 975 HG3 LYS 133 2HG LYS 133 -3.234 10.693 17.652 976 HD2 LYS 133 1HD LYS 133 -1.046 12.050 17.973 977 HD3 LYS 133 2HD LYS 133 -2.128 13.354 18.467 978 HE2 LYS 133 1HE LYS 133 -2.281 10.603 19.667 979 HE3 LYS 133 2HE LYS 133 -1.197 11.841 20.300 980 HZ1 LYS 133 1HZ LYS 133 -3.003 12.274 21.564 981 HZ2 LYS 133 2HZ LYS 133 -4.105 11.675 20.429 982 HZ3 LYS 133 3HZ LYS 133 -3.441 13.219 20.231 983 H VAL 134 H VAL 134 -2.641 10.357 13.244 984 HA VAL 134 HA VAL 134 -4.436 8.354 13.716 985 HB VAL 134 HB VAL 134 -4.189 7.650 11.424 986 HG11 VAL 134 1HG1 VAL 134 -4.934 10.093 12.151 987 HG12 VAL 134 2HG1 VAL 134 -3.547 10.534 11.153 988 HG13 VAL 134 3HG1 VAL 134 -4.870 9.596 10.460 989 HG21 VAL 134 1HG2 VAL 134 -1.742 7.457 11.398 990 HG22 VAL 134 2HG2 VAL 134 -2.341 8.376 10.017 991 HG23 VAL 134 3HG2 VAL 134 -1.609 9.215 11.385 992 H PHE 135 H PHE 135 -0.999 8.165 13.897 993 HA PHE 135 HA PHE 135 -0.897 5.281 13.720 994 HB2 PHE 135 1HB PHE 135 1.241 7.254 14.554 995 HB3 PHE 135 2HB PHE 135 1.493 5.548 14.198 996 HD1 PHE 135 1HD PHE 135 -0.382 5.431 11.795 997 HD2 PHE 135 2HD PHE 135 2.691 8.154 12.917 998 HE1 PHE 135 1HE PHE 135 -0.009 5.981 9.426 999 HE2 PHE 135 2HE PHE 135 3.068 8.709 10.550 1000 HZ PHE 135 HZ PHE 135 1.717 7.623 8.800 1001 H GLN 136 H GLN 136 -0.700 7.751 16.238 1002 HA GLN 136 HA GLN 136 -0.135 5.959 18.364 1003 HB2 GLN 136 1HB GLN 136 -1.370 8.717 18.420 1004 HB3 GLN 136 2HB GLN 136 -0.781 7.846 19.830 1005 HG2 GLN 136 1HG GLN 136 1.445 8.041 19.173 1006 HG3 GLN 136 2HG GLN 136 1.014 8.429 17.508 1007 HE21 GLN 136 1HE2 GLN 136 0.885 10.496 16.933 1008 HE22 GLN 136 2HE2 GLN 136 0.945 11.840 18.016 1009 H GLU 137 H GLU 137 -3.086 7.109 16.875 1010 HA GLU 137 HA GLU 137 -4.834 6.148 18.922 1011 HB2 GLU 137 1HB GLU 137 -6.621 6.540 17.243 1012 HB3 GLU 137 2HB GLU 137 -5.577 7.935 17.481 1013 HG2 GLU 137 1HG GLU 137 -5.666 7.943 15.222 1014 HG3 GLU 137 2HG GLU 137 -4.292 6.860 15.434 1015 H ALA 138 H ALA 138 -3.534 4.842 15.933 1016 HA ALA 138 HA ALA 138 -5.220 2.538 15.873 1017 HB1 ALA 138 1HB ALA 138 -4.306 2.186 13.869 1018 HB2 ALA 138 2HB ALA 138 -3.499 3.738 14.094 1019 HB3 ALA 138 3HB ALA 138 -2.665 2.242 14.513 1020 H LEU 139 H LEU 139 -2.122 3.309 17.303 1021 HA LEU 139 HA LEU 139 -1.309 0.650 17.858 1022 HB2 LEU 139 1HB LEU 139 0.161 2.678 17.831 1023 HB3 LEU 139 2HB LEU 139 -0.556 3.142 19.372 1024 HG LEU 139 HG LEU 139 0.365 1.147 20.421 1025 HD11 LEU 139 1HD1 LEU 139 0.868 -0.630 19.197 1026 HD12 LEU 139 2HD1 LEU 139 2.233 0.255 18.516 1027 HD13 LEU 139 3HD1 LEU 139 0.666 0.294 17.709 1028 HD21 LEU 139 1HD2 LEU 139 2.340 2.141 20.784 1029 HD22 LEU 139 2HD2 LEU 139 1.739 3.386 19.690 1030 HD23 LEU 139 3HD2 LEU 139 2.784 2.103 19.078 1031 H ARG 140 H ARG 140 -2.369 3.143 20.181 1032 HA ARG 140 HA ARG 140 -2.709 1.759 22.433 1033 HB2 ARG 140 1HB ARG 140 -4.789 3.134 22.878 1034 HB3 ARG 140 2HB ARG 140 -3.352 4.041 22.425 1035 HG2 ARG 140 1HG ARG 140 -4.176 4.351 20.196 1036 HG3 ARG 140 2HG ARG 140 -5.546 3.284 20.510 1037 HD2 ARG 140 1HD ARG 140 -5.987 5.003 22.463 1038 HD3 ARG 140 2HD ARG 140 -5.054 6.075 21.420 1039 HE ARG 140 HE ARG 140 -6.962 4.916 19.804 1040 HH11 ARG 140 2HH1 ARG 140 -6.925 6.904 22.661 1041 HH12 ARG 140 1HH1 ARG 140 -8.431 7.680 22.299 1042 HH21 ARG 140 2HH2 ARG 140 -8.945 5.930 19.316 1043 HH22 ARG 140 1HH2 ARG 140 -9.580 7.125 20.396 1044 H ASN 141 H ASN 141 -4.800 1.501 19.616 1045 HA ASN 141 HA ASN 141 -6.878 0.004 20.707 1046 HB2 ASN 141 1HB ASN 141 -5.719 0.247 17.954 1047 HB3 ASN 141 2HB ASN 141 -6.956 -0.967 18.269 1048 HD21 ASN 141 1HD2 ASN 141 -7.290 1.147 16.492 1049 HD22 ASN 141 2HD2 ASN 141 -8.522 2.194 17.103 1050 H ILE 142 H ILE 142 -3.942 -1.166 19.059 1051 HA ILE 142 HA ILE 142 -4.498 -3.892 19.862 1052 HB ILE 142 HB ILE 142 -2.553 -4.519 18.609 1053 HG12 ILE 142 1HG1 ILE 142 -1.951 -1.560 18.568 1054 HG13 ILE 142 2HG1 ILE 142 -0.967 -2.848 19.255 1055 HG21 ILE 142 1HG2 ILE 142 -3.344 -4.049 16.513 1056 HG22 ILE 142 2HG2 ILE 142 -4.740 -3.588 17.484 1057 HG23 ILE 142 3HG2 ILE 142 -3.637 -2.350 16.884 1058 HD11 ILE 142 1HD1 ILE 142 0.070 -2.202 17.243 1059 HD12 ILE 142 2HD1 ILE 142 -0.724 -3.742 16.915 1060 HD13 ILE 142 3HD1 ILE 142 -1.455 -2.237 16.359 1061 H SER 143 H SER 143 -1.958 -1.478 20.482 1062 HA SER 143 HA SER 143 -0.459 -3.010 22.285 1063 HB2 SER 143 1HB SER 143 0.267 -0.858 21.193 1064 HB3 SER 143 2HB SER 143 -0.757 0.000 22.344 1065 HG SER 143 HG SER 143 1.415 -0.145 23.058 1066 H GLY 144 H GLY 144 -3.001 -0.593 22.905 1067 HA2 GLY 144 1HA GLY 144 -4.668 -0.951 24.593 1068 HA3 GLY 144 2HA GLY 144 -3.508 -1.933 25.476 1069 HA PRO 145 HA PRO 145 -3.637 2.173 27.560 1070 HB2 PRO 145 1HB PRO 145 -3.491 1.146 30.069 1071 HB3 PRO 145 2HB PRO 145 -5.015 1.329 29.193 1072 HG2 PRO 145 1HG PRO 145 -3.318 -1.111 29.550 1073 HG3 PRO 145 2HG PRO 145 -5.081 -0.950 29.648 1074 HD2 PRO 145 1HD PRO 145 -3.826 -1.920 27.453 1075 HD3 PRO 145 2HD PRO 145 -5.338 -0.995 27.358 1076 H SER 146 H SER 146 -1.701 3.115 27.338 1077 HA SER 146 HA SER 146 0.642 1.781 28.530 1078 HB2 SER 146 1HB SER 146 1.018 1.883 26.184 1079 HB3 SER 146 2HB SER 146 0.423 3.541 26.086 1080 HG SER 146 HG SER 146 2.707 3.451 26.035 1081 H SER 147 H SER 147 1.517 2.770 30.216 1082 HA SER 147 HA SER 147 1.220 5.685 30.469 1083 HB2 SER 147 1HB SER 147 0.903 5.369 32.929 1084 HB3 SER 147 2HB SER 147 -0.421 4.717 31.963 1085 HG SER 147 HG SER 147 0.982 2.682 32.132 1086 H GLY 148 H GLY 148 2.964 2.782 31.519 1087 HA2 GLY 148 1HA GLY 148 5.471 4.220 31.359 1088 HA3 GLY 148 2HA GLY 148 5.020 3.730 32.985 Start of MODEL 10 1 H1 GLY 1 H GLY 1 57.680 18.514 15.518 2 HA2 GLY 1 1HA GLY 1 56.468 19.164 13.518 3 HA3 GLY 1 2HA GLY 1 57.187 17.784 12.702 4 H SER 2 H SER 2 54.427 18.929 14.124 5 HA SER 2 HA SER 2 53.162 16.345 13.988 6 HB2 SER 2 1HB SER 2 52.468 16.142 16.242 7 HB3 SER 2 2HB SER 2 54.185 16.532 16.331 8 HG SER 2 HG SER 2 53.692 18.588 16.929 9 H SER 3 H SER 3 51.215 16.627 13.133 10 HA SER 3 HA SER 3 49.386 18.625 13.957 11 HB2 SER 3 1HB SER 3 51.062 19.176 11.548 12 HB3 SER 3 2HB SER 3 49.362 19.642 11.505 13 HG SER 3 HG SER 3 50.771 21.297 12.317 14 H GLY 4 H GLY 4 47.324 18.364 13.028 15 HA2 GLY 4 1HA GLY 4 46.764 16.744 10.793 16 HA3 GLY 4 2HA GLY 4 46.665 15.757 12.243 17 H SER 5 H SER 5 44.997 17.820 10.195 18 HA SER 5 HA SER 5 42.722 17.852 12.033 19 HB2 SER 5 1HB SER 5 43.758 20.294 10.573 20 HB3 SER 5 2HB SER 5 42.212 20.211 11.418 21 HG SER 5 HG SER 5 43.229 20.512 13.225 22 H SER 6 H SER 6 40.704 17.848 11.029 23 HA SER 6 HA SER 6 40.319 18.193 8.245 24 HB2 SER 6 1HB SER 6 39.948 15.904 7.550 25 HB3 SER 6 2HB SER 6 41.574 16.032 8.220 26 HG SER 6 HG SER 6 39.265 15.001 9.508 27 H GLY 7 H GLY 7 38.218 18.585 7.875 28 HA2 GLY 7 1HA GLY 7 36.063 17.247 9.097 29 HA3 GLY 7 2HA GLY 7 36.371 18.738 9.976 30 H MET 8 H MET 8 35.281 17.338 6.977 31 HA MET 8 HA MET 8 33.858 19.792 6.365 32 HB2 MET 8 1HB MET 8 35.992 18.634 4.588 33 HB3 MET 8 2HB MET 8 34.681 19.606 3.933 34 HG2 MET 8 1HG MET 8 36.693 20.482 5.993 35 HG3 MET 8 2HG MET 8 36.655 20.954 4.296 36 HE1 MET 8 1HE MET 8 35.726 22.741 3.405 37 HE2 MET 8 2HE MET 8 33.998 22.388 3.409 38 HE3 MET 8 3HE MET 8 34.591 23.902 4.094 39 H THR 9 H THR 9 32.415 19.462 4.407 40 HA THR 9 HA THR 9 31.788 16.793 3.605 41 HB THR 9 HB THR 9 30.735 16.521 5.706 42 HG1 THR 9 1HG THR 9 28.385 16.769 5.006 43 HG21 THR 9 1HG2 THR 9 29.209 18.125 6.695 44 HG22 THR 9 2HG2 THR 9 29.369 19.183 5.294 45 HG23 THR 9 3HG2 THR 9 30.751 18.909 6.354 46 H VAL 10 H VAL 10 30.371 16.727 1.870 47 HA VAL 10 HA VAL 10 29.295 19.314 0.962 48 HB VAL 10 HB VAL 10 30.730 17.256 -0.718 49 HG11 VAL 10 1HG1 VAL 10 28.966 17.933 -2.089 50 HG12 VAL 10 2HG1 VAL 10 29.015 19.593 -1.491 51 HG13 VAL 10 3HG1 VAL 10 30.293 18.998 -2.551 52 HG21 VAL 10 1HG2 VAL 10 31.889 19.166 0.710 53 HG22 VAL 10 2HG2 VAL 10 32.466 18.725 -0.897 54 HG23 VAL 10 3HG2 VAL 10 31.435 20.140 -0.688 55 H SER 11 H SER 11 27.203 19.272 0.465 56 HA SER 11 HA SER 11 25.973 16.757 -0.396 57 HB2 SER 11 1HB SER 11 25.061 18.455 1.929 58 HB3 SER 11 2HB SER 11 24.009 17.288 1.129 59 HG SER 11 HG SER 11 26.006 15.850 1.576 60 H GLY 12 H GLY 12 23.703 17.129 -1.205 61 HA2 GLY 12 1HA GLY 12 22.477 19.464 -1.813 62 HA3 GLY 12 2HA GLY 12 23.756 19.381 -3.015 63 HA PRO 13 HA PRO 13 20.644 15.711 -3.755 64 HB2 PRO 13 1HB PRO 13 18.157 16.144 -2.757 65 HB3 PRO 13 2HB PRO 13 19.419 15.296 -1.856 66 HG2 PRO 13 1HG PRO 13 18.533 18.148 -1.648 67 HG3 PRO 13 2HG PRO 13 18.922 17.000 -0.353 68 HD2 PRO 13 1HD PRO 13 20.660 18.903 -1.185 69 HD3 PRO 13 2HD PRO 13 21.193 17.321 -0.581 70 H GLY 14 H GLY 14 18.629 15.594 -5.148 71 HA2 GLY 14 1HA GLY 14 17.523 18.033 -6.162 72 HA3 GLY 14 2HA GLY 14 18.730 17.359 -7.246 73 H THR 15 H THR 15 15.839 17.725 -7.624 74 HA THR 15 HA THR 15 15.284 15.134 -8.735 75 HB THR 15 HB THR 15 13.453 16.172 -6.563 76 HG1 THR 15 1HG THR 15 14.619 14.945 -5.307 77 HG21 THR 15 1HG2 THR 15 13.272 13.680 -8.261 78 HG22 THR 15 2HG2 THR 15 12.240 15.102 -8.406 79 HG23 THR 15 3HG2 THR 15 12.183 14.117 -6.945 80 HA PRO 16 HA PRO 16 13.329 17.896 -11.590 81 HB2 PRO 16 1HB PRO 16 12.229 16.002 -13.193 82 HB3 PRO 16 2HB PRO 16 13.952 16.396 -13.215 83 HG2 PRO 16 1HG PRO 16 12.543 14.134 -11.851 84 HG3 PRO 16 2HG PRO 16 14.062 14.117 -12.765 85 HD2 PRO 16 1HD PRO 16 13.990 14.152 -10.058 86 HD3 PRO 16 2HD PRO 16 15.285 14.932 -10.989 87 H GLU 17 H GLU 17 11.073 17.964 -12.713 88 HA GLU 17 HA GLU 17 8.976 17.079 -10.857 89 HB2 GLU 17 1HB GLU 17 7.909 19.230 -10.880 90 HB3 GLU 17 2HB GLU 17 9.583 19.454 -10.393 91 HG2 GLU 17 1HG GLU 17 8.660 19.842 -13.221 92 HG3 GLU 17 2HG GLU 17 8.634 21.134 -12.023 93 HA PRO 18 HA PRO 18 6.922 15.779 -14.525 94 HB2 PRO 18 1HB PRO 18 4.376 15.687 -13.586 95 HB3 PRO 18 2HB PRO 18 5.604 14.492 -13.151 96 HG2 PRO 18 1HG PRO 18 4.652 16.878 -11.613 97 HG3 PRO 18 2HG PRO 18 4.994 15.237 -11.034 98 HD2 PRO 18 1HD PRO 18 6.736 17.286 -10.718 99 HD3 PRO 18 2HD PRO 18 7.267 15.607 -10.944 100 H ARG 19 H ARG 19 5.103 16.402 -15.975 101 HA ARG 19 HA ARG 19 4.138 19.130 -15.709 102 HB2 ARG 19 1HB ARG 19 5.815 18.257 -18.069 103 HB3 ARG 19 2HB ARG 19 4.961 19.788 -17.936 104 HG2 ARG 19 1HG ARG 19 6.352 20.430 -16.055 105 HG3 ARG 19 2HG ARG 19 7.180 18.872 -16.119 106 HD2 ARG 19 1HD ARG 19 7.208 21.051 -18.200 107 HD3 ARG 19 2HD ARG 19 8.557 20.506 -17.203 108 HE ARG 19 HE ARG 19 7.657 18.308 -18.644 109 HH11 ARG 19 2HH1 ARG 19 9.091 21.418 -19.271 110 HH12 ARG 19 1HH1 ARG 19 9.886 20.904 -20.722 111 HH21 ARG 19 2HH2 ARG 19 8.700 17.619 -20.553 112 HH22 ARG 19 1HH2 ARG 19 9.662 18.744 -21.451 113 HA PRO 20 HA PRO 20 0.592 17.344 -17.607 114 HB2 PRO 20 1HB PRO 20 -0.616 19.608 -18.494 115 HB3 PRO 20 2HB PRO 20 -0.570 19.148 -16.787 116 HG2 PRO 20 1HG PRO 20 1.150 21.098 -18.271 117 HG3 PRO 20 2HG PRO 20 0.411 21.253 -16.667 118 HD2 PRO 20 1HD PRO 20 3.015 20.596 -17.013 119 HD3 PRO 20 2HD PRO 20 2.050 19.992 -15.650 120 H ALA 21 H ALA 21 0.034 16.547 -19.564 121 HA ALA 21 HA ALA 21 0.883 17.916 -21.995 122 HB1 ALA 21 1HB ALA 21 2.771 16.613 -21.875 123 HB2 ALA 21 2HB ALA 21 1.933 15.279 -21.081 124 HB3 ALA 21 3HB ALA 21 1.698 15.566 -22.805 125 H THR 22 H THR 22 0.125 16.519 -23.964 126 HA THR 22 HA THR 22 -2.540 16.530 -24.221 127 HB THR 22 HB THR 22 -1.072 15.982 -26.092 128 HG1 THR 22 1HG THR 22 -2.929 15.288 -26.835 129 HG21 THR 22 1HG2 THR 22 -0.795 13.308 -24.718 130 HG22 THR 22 2HG2 THR 22 0.486 14.474 -25.046 131 HG23 THR 22 3HG2 THR 22 -0.299 13.628 -26.379 132 HA PRO 23 HA PRO 23 -4.300 13.539 -21.505 133 HB2 PRO 23 1HB PRO 23 -6.702 13.230 -22.731 134 HB3 PRO 23 2HB PRO 23 -6.280 14.668 -21.794 135 HG2 PRO 23 1HG PRO 23 -6.233 14.257 -24.759 136 HG3 PRO 23 2HG PRO 23 -6.812 15.653 -23.832 137 HD2 PRO 23 1HD PRO 23 -4.389 15.610 -25.040 138 HD3 PRO 23 2HD PRO 23 -4.687 16.493 -23.529 139 H GLY 24 H GLY 24 -5.293 11.357 -21.534 140 HA2 GLY 24 1HA GLY 24 -5.461 9.182 -22.285 141 HA3 GLY 24 2HA GLY 24 -5.192 9.777 -23.917 142 H ALA 25 H ALA 25 -3.094 10.094 -21.081 143 HA ALA 25 HA ALA 25 -1.052 8.549 -22.543 144 HB1 ALA 25 1HB ALA 25 -0.131 10.398 -20.449 145 HB2 ALA 25 2HB ALA 25 0.529 10.075 -22.052 146 HB3 ALA 25 3HB ALA 25 -0.851 11.158 -21.869 147 H SER 26 H SER 26 -0.859 6.593 -21.673 148 HA SER 26 HA SER 26 -1.501 6.102 -18.902 149 HB2 SER 26 1HB SER 26 -0.825 4.420 -21.272 150 HB3 SER 26 2HB SER 26 -0.575 3.731 -19.668 151 HG SER 26 HG SER 26 -2.681 3.316 -20.491 152 H SER 27 H SER 27 0.566 7.877 -18.987 153 HA SER 27 HA SER 27 3.059 6.425 -18.634 154 HB2 SER 27 1HB SER 27 2.487 9.381 -18.305 155 HB3 SER 27 2HB SER 27 4.081 8.627 -18.366 156 HG SER 27 HG SER 27 3.494 7.906 -20.511 157 H VAL 28 H VAL 28 3.889 5.819 -16.737 158 HA VAL 28 HA VAL 28 2.569 5.511 -14.419 159 HB VAL 28 HB VAL 28 4.790 4.596 -14.721 160 HG11 VAL 28 1HG1 VAL 28 6.657 5.782 -15.138 161 HG12 VAL 28 2HG1 VAL 28 5.519 7.038 -15.628 162 HG13 VAL 28 3HG1 VAL 28 6.221 7.065 -14.010 163 HG21 VAL 28 1HG2 VAL 28 4.626 4.412 -12.501 164 HG22 VAL 28 2HG2 VAL 28 5.729 5.786 -12.421 165 HG23 VAL 28 3HG2 VAL 28 3.987 6.047 -12.328 166 H GLU 29 H GLU 29 4.185 8.465 -15.452 167 HA GLU 29 HA GLU 29 3.848 9.857 -12.992 168 HB2 GLU 29 1HB GLU 29 4.446 11.860 -14.285 169 HB3 GLU 29 2HB GLU 29 5.554 10.531 -14.595 170 HG2 GLU 29 1HG GLU 29 5.224 11.238 -16.722 171 HG3 GLU 29 2HG GLU 29 3.897 10.084 -16.601 172 H GLN 30 H GLN 30 2.063 9.862 -16.062 173 HA GLN 30 HA GLN 30 0.052 11.653 -15.014 174 HB2 GLN 30 1HB GLN 30 0.539 11.920 -17.323 175 HB3 GLN 30 2HB GLN 30 0.373 10.197 -17.633 176 HG2 GLN 30 1HG GLN 30 -1.941 10.271 -17.542 177 HG3 GLN 30 2HG GLN 30 -1.955 11.792 -16.651 178 HE21 GLN 30 1HE2 GLN 30 -0.430 13.436 -18.077 179 HE22 GLN 30 2HE2 GLN 30 -1.061 13.658 -19.670 180 H LEU 31 H LEU 31 -0.101 8.367 -16.401 181 HA LEU 31 HA LEU 31 -2.606 7.603 -15.856 182 HB2 LEU 31 1HB LEU 31 -1.918 5.429 -15.971 183 HB3 LEU 31 2HB LEU 31 -0.513 6.248 -16.652 184 HG LEU 31 HG LEU 31 0.438 6.136 -14.257 185 HD11 LEU 31 1HD1 LEU 31 -0.634 4.993 -12.676 186 HD12 LEU 31 2HD1 LEU 31 -1.006 3.664 -13.773 187 HD13 LEU 31 3HD1 LEU 31 -2.053 5.082 -13.719 188 HD21 LEU 31 1HD2 LEU 31 0.092 3.601 -15.854 189 HD22 LEU 31 2HD2 LEU 31 1.366 3.935 -14.682 190 HD23 LEU 31 3HD2 LEU 31 1.282 4.861 -16.181 191 H ARG 32 H ARG 32 -0.082 8.050 -13.460 192 HA ARG 32 HA ARG 32 -0.881 6.859 -11.218 193 HB2 ARG 32 1HB ARG 32 0.812 8.863 -11.654 194 HB3 ARG 32 2HB ARG 32 -0.493 9.800 -10.939 195 HG2 ARG 32 1HG ARG 32 -0.229 8.863 -8.878 196 HG3 ARG 32 2HG ARG 32 0.397 7.346 -9.527 197 HD2 ARG 32 1HD ARG 32 1.844 9.975 -9.277 198 HD3 ARG 32 2HD ARG 32 2.191 8.473 -8.423 199 HE ARG 32 HE ARG 32 2.400 7.958 -11.151 200 HH11 ARG 32 2HH1 ARG 32 3.988 9.880 -8.721 201 HH12 ARG 32 1HH1 ARG 32 5.532 9.832 -9.506 202 HH21 ARG 32 2HH2 ARG 32 4.427 7.888 -12.195 203 HH22 ARG 32 1HH2 ARG 32 5.780 8.700 -11.483 204 H LYS 33 H LYS 33 -2.351 9.908 -12.336 205 HA LYS 33 HA LYS 33 -4.260 10.255 -10.395 206 HB2 LYS 33 1HB LYS 33 -4.089 10.964 -13.278 207 HB3 LYS 33 2HB LYS 33 -5.661 11.116 -12.506 208 HG2 LYS 33 1HG LYS 33 -4.402 13.216 -12.486 209 HG3 LYS 33 2HG LYS 33 -4.746 12.629 -10.857 210 HD2 LYS 33 1HD LYS 33 -2.521 13.249 -10.696 211 HD3 LYS 33 2HD LYS 33 -2.401 11.522 -11.043 212 HE2 LYS 33 1HE LYS 33 -1.967 11.977 -13.371 213 HE3 LYS 33 2HE LYS 33 -2.237 13.701 -13.122 214 HZ1 LYS 33 1HZ LYS 33 0.167 12.613 -13.115 215 HZ2 LYS 33 2HZ LYS 33 -0.192 12.444 -11.471 216 HZ3 LYS 33 3HZ LYS 33 -0.214 13.976 -12.188 217 H GLU 34 H GLU 34 -4.490 8.237 -13.303 218 HA GLU 34 HA GLU 34 -7.075 7.433 -13.295 219 HB2 GLU 34 1HB GLU 34 -5.437 6.612 -14.909 220 HB3 GLU 34 2HB GLU 34 -4.662 5.648 -13.660 221 HG2 GLU 34 1HG GLU 34 -6.312 4.072 -13.650 222 HG3 GLU 34 2HG GLU 34 -7.549 5.204 -14.193 223 H GLY 35 H GLY 35 -4.533 6.246 -11.134 224 HA2 GLY 35 1HA GLY 35 -6.165 4.300 -9.846 225 HA3 GLY 35 2HA GLY 35 -4.630 4.921 -9.255 226 H ASN 36 H ASN 36 -4.898 7.394 -8.594 227 HA ASN 36 HA ASN 36 -6.347 7.454 -6.241 228 HB2 ASN 36 1HB ASN 36 -5.614 9.857 -7.929 229 HB3 ASN 36 2HB ASN 36 -5.937 9.850 -6.197 230 HD21 ASN 36 1HD2 ASN 36 -3.705 8.904 -8.702 231 HD22 ASN 36 2HD2 ASN 36 -2.342 8.659 -7.668 232 H GLU 37 H GLU 37 -7.210 9.073 -9.303 233 HA GLU 37 HA GLU 37 -9.592 10.193 -8.698 234 HB2 GLU 37 1HB GLU 37 -8.867 8.645 -11.186 235 HB3 GLU 37 2HB GLU 37 -10.321 9.622 -11.046 236 HG2 GLU 37 1HG GLU 37 -8.757 11.549 -10.454 237 HG3 GLU 37 2HG GLU 37 -7.463 10.516 -11.057 238 H LEU 38 H LEU 38 -9.142 6.778 -9.584 239 HA LEU 38 HA LEU 38 -11.871 6.075 -9.254 240 HB2 LEU 38 1HB LEU 38 -9.357 4.420 -9.286 241 HB3 LEU 38 2HB LEU 38 -10.977 3.732 -9.210 242 HG LEU 38 HG LEU 38 -10.148 5.535 -11.463 243 HD11 LEU 38 1HD1 LEU 38 -9.268 2.801 -10.913 244 HD12 LEU 38 2HD1 LEU 38 -8.621 4.002 -12.030 245 HD13 LEU 38 3HD1 LEU 38 -10.007 3.018 -12.500 246 HD21 LEU 38 1HD2 LEU 38 -12.019 3.274 -11.783 247 HD22 LEU 38 2HD2 LEU 38 -12.079 4.904 -12.454 248 HD23 LEU 38 3HD2 LEU 38 -12.576 4.617 -10.786 249 H PHE 39 H PHE 39 -9.053 5.968 -7.135 250 HA PHE 39 HA PHE 39 -10.148 4.501 -5.029 251 HB2 PHE 39 1HB PHE 39 -7.729 5.232 -5.337 252 HB3 PHE 39 2HB PHE 39 -8.215 6.792 -4.680 253 HD1 PHE 39 1HD PHE 39 -8.091 3.168 -3.908 254 HD2 PHE 39 2HD PHE 39 -8.330 7.133 -2.377 255 HE1 PHE 39 1HE PHE 39 -7.764 2.304 -1.628 256 HE2 PHE 39 2HE PHE 39 -8.002 6.274 -0.095 257 HZ PHE 39 HZ PHE 39 -7.718 3.857 0.282 258 H LYS 40 H LYS 40 -9.922 8.047 -5.346 259 HA LYS 40 HA LYS 40 -11.494 8.611 -3.073 260 HB2 LYS 40 1HB LYS 40 -11.462 10.875 -3.787 261 HB3 LYS 40 2HB LYS 40 -9.913 10.189 -4.260 262 HG2 LYS 40 1HG LYS 40 -11.075 9.768 -6.536 263 HG3 LYS 40 2HG LYS 40 -12.234 10.973 -5.969 264 HD2 LYS 40 1HD LYS 40 -9.996 12.296 -5.413 265 HD3 LYS 40 2HD LYS 40 -9.376 11.280 -6.717 266 HE2 LYS 40 1HE LYS 40 -11.894 12.904 -6.981 267 HE3 LYS 40 2HE LYS 40 -10.302 13.553 -7.375 268 HZ1 LYS 40 1HZ LYS 40 -11.646 12.549 -9.257 269 HZ2 LYS 40 2HZ LYS 40 -11.298 11.041 -8.576 270 HZ3 LYS 40 3HZ LYS 40 -10.040 12.036 -9.113 271 H CYS 41 H CYS 41 -12.388 7.217 -5.941 272 HA CYS 41 HA CYS 41 -15.104 8.333 -5.862 273 HB2 CYS 41 1HB CYS 41 -13.707 8.235 -8.031 274 HB3 CYS 41 2HB CYS 41 -14.045 6.508 -8.008 275 HG CYS 41 HG CYS 41 -16.282 6.707 -9.232 276 H GLY 42 H GLY 42 -13.304 5.668 -4.876 277 HA2 GLY 42 1HA GLY 42 -14.280 3.998 -3.472 278 HA3 GLY 42 2HA GLY 42 -15.782 4.171 -4.367 279 H ASP 43 H ASP 43 -13.962 4.178 -6.872 280 HA ASP 43 HA ASP 43 -14.289 1.393 -7.431 281 HB2 ASP 43 1HB ASP 43 -12.962 3.608 -9.007 282 HB3 ASP 43 2HB ASP 43 -13.221 1.975 -9.616 283 H TYR 44 H TYR 44 -12.974 0.324 -5.920 284 HA TYR 44 HA TYR 44 -10.148 0.854 -5.795 285 HB2 TYR 44 1HB TYR 44 -11.949 -1.215 -4.559 286 HB3 TYR 44 2HB TYR 44 -10.199 -1.321 -4.410 287 HD1 TYR 44 1HD TYR 44 -11.756 1.968 -4.513 288 HD2 TYR 44 2HD TYR 44 -10.404 -1.158 -1.963 289 HE1 TYR 44 1HE TYR 44 -11.830 3.508 -2.597 290 HE2 TYR 44 2HE TYR 44 -10.475 0.373 -0.039 291 HH TYR 44 HH TYR 44 -12.067 3.294 -0.072 292 H GLY 45 H GLY 45 -12.185 -1.783 -7.045 293 HA2 GLY 45 1HA GLY 45 -10.290 -3.544 -7.941 294 HA3 GLY 45 2HA GLY 45 -11.807 -3.251 -8.778 295 H GLY 46 H GLY 46 -11.164 -0.462 -9.377 296 HA2 GLY 46 1HA GLY 46 -9.460 -0.992 -11.694 297 HA3 GLY 46 2HA GLY 46 -10.514 0.397 -11.478 298 H ALA 47 H ALA 47 -9.615 1.154 -8.892 299 HA ALA 47 HA ALA 47 -7.532 2.879 -9.517 300 HB1 ALA 47 1HB ALA 47 -8.944 2.067 -7.089 301 HB2 ALA 47 2HB ALA 47 -7.294 2.624 -6.810 302 HB3 ALA 47 3HB ALA 47 -8.450 3.670 -7.635 303 H LEU 48 H LEU 48 -7.439 -0.346 -8.092 304 HA LEU 48 HA LEU 48 -4.686 -0.343 -7.442 305 HB2 LEU 48 1HB LEU 48 -6.313 -1.916 -6.488 306 HB3 LEU 48 2HB LEU 48 -6.497 -2.671 -8.070 307 HG LEU 48 HG LEU 48 -4.988 -3.768 -6.246 308 HD11 LEU 48 1HD1 LEU 48 -4.715 -5.049 -8.039 309 HD12 LEU 48 2HD1 LEU 48 -3.321 -4.051 -8.451 310 HD13 LEU 48 3HD1 LEU 48 -4.904 -3.676 -9.131 311 HD21 LEU 48 1HD2 LEU 48 -2.801 -3.034 -6.055 312 HD22 LEU 48 2HD2 LEU 48 -3.710 -1.522 -6.065 313 HD23 LEU 48 3HD2 LEU 48 -2.887 -2.067 -7.528 314 H ALA 49 H ALA 49 -6.482 -1.339 -10.314 315 HA ALA 49 HA ALA 49 -4.452 -2.604 -11.727 316 HB1 ALA 49 1HB ALA 49 -6.556 -2.817 -12.669 317 HB2 ALA 49 2HB ALA 49 -6.888 -1.087 -12.571 318 HB3 ALA 49 3HB ALA 49 -5.754 -1.700 -13.774 319 H ALA 50 H ALA 50 -5.331 0.841 -11.688 320 HA ALA 50 HA ALA 50 -3.463 1.744 -13.553 321 HB1 ALA 50 1HB ALA 50 -5.389 2.906 -11.955 322 HB2 ALA 50 2HB ALA 50 -3.884 3.627 -11.382 323 HB3 ALA 50 3HB ALA 50 -4.326 3.745 -13.085 324 H TYR 51 H TYR 51 -3.180 1.504 -10.014 325 HA TYR 51 HA TYR 51 -0.631 2.556 -9.723 326 HB2 TYR 51 1HB TYR 51 -2.107 0.447 -8.154 327 HB3 TYR 51 2HB TYR 51 -0.516 1.028 -7.676 328 HD1 TYR 51 1HD TYR 51 -0.666 3.889 -8.180 329 HD2 TYR 51 2HD TYR 51 -3.619 1.265 -6.599 330 HE1 TYR 51 1HE TYR 51 -1.708 5.781 -7.003 331 HE2 TYR 51 2HE TYR 51 -4.669 3.150 -5.418 332 HH TYR 51 HH TYR 51 -3.438 6.458 -5.774 333 H THR 52 H THR 52 -1.625 -0.740 -10.515 334 HA THR 52 HA THR 52 0.838 -2.019 -10.339 335 HB THR 52 HB THR 52 -1.392 -2.577 -12.304 336 HG1 THR 52 1HG THR 52 -2.370 -3.201 -10.539 337 HG21 THR 52 1HG2 THR 52 -0.419 -4.916 -12.202 338 HG22 THR 52 2HG2 THR 52 1.004 -4.192 -11.453 339 HG23 THR 52 3HG2 THR 52 0.531 -3.722 -13.086 340 H GLN 53 H GLN 53 -0.654 -0.476 -13.183 341 HA GLN 53 HA GLN 53 1.349 -0.960 -15.028 342 HB2 GLN 53 1HB GLN 53 -0.156 1.644 -14.936 343 HB3 GLN 53 2HB GLN 53 0.409 0.759 -16.347 344 HG2 GLN 53 1HG GLN 53 -1.232 -1.082 -15.401 345 HG3 GLN 53 2HG GLN 53 -1.997 0.328 -14.669 346 HE21 GLN 53 1HE2 GLN 53 -2.322 2.185 -16.239 347 HE22 GLN 53 2HE2 GLN 53 -2.925 1.768 -17.803 348 H ALA 54 H ALA 54 0.942 2.036 -13.130 349 HA ALA 54 HA ALA 54 3.100 3.477 -13.798 350 HB1 ALA 54 1HB ALA 54 2.561 4.683 -12.010 351 HB2 ALA 54 2HB ALA 54 1.379 3.434 -11.616 352 HB3 ALA 54 3HB ALA 54 2.995 3.371 -10.913 353 H LEU 55 H LEU 55 3.222 0.918 -11.314 354 HA LEU 55 HA LEU 55 6.006 1.033 -10.928 355 HB2 LEU 55 1HB LEU 55 3.845 -0.896 -10.284 356 HB3 LEU 55 2HB LEU 55 5.507 -1.478 -10.208 357 HG LEU 55 HG LEU 55 4.490 0.912 -8.677 358 HD11 LEU 55 1HD1 LEU 55 3.913 -0.393 -6.924 359 HD12 LEU 55 2HD1 LEU 55 5.120 -1.623 -7.296 360 HD13 LEU 55 3HD1 LEU 55 3.609 -1.569 -8.203 361 HD21 LEU 55 1HD2 LEU 55 6.540 0.982 -7.639 362 HD22 LEU 55 2HD2 LEU 55 7.003 0.505 -9.272 363 HD23 LEU 55 3HD2 LEU 55 6.902 -0.707 -7.994 364 H GLY 56 H GLY 56 4.001 -0.830 -13.149 365 HA2 GLY 56 1HA GLY 56 5.877 -2.656 -14.086 366 HA3 GLY 56 2HA GLY 56 4.542 -2.019 -15.036 367 H LEU 57 H LEU 57 5.402 0.719 -14.987 368 HA LEU 57 HA LEU 57 7.296 0.599 -17.149 369 HB2 LEU 57 1HB LEU 57 6.114 3.002 -15.765 370 HB3 LEU 57 2HB LEU 57 6.967 3.000 -17.307 371 HG LEU 57 HG LEU 57 4.335 1.614 -16.804 372 HD11 LEU 57 1HD1 LEU 57 3.646 3.544 -18.453 373 HD12 LEU 57 2HD1 LEU 57 5.018 4.365 -17.709 374 HD13 LEU 57 3HD1 LEU 57 3.679 3.801 -16.708 375 HD21 LEU 57 1HD2 LEU 57 4.828 0.561 -18.701 376 HD22 LEU 57 2HD2 LEU 57 6.260 1.556 -18.964 377 HD23 LEU 57 3HD2 LEU 57 4.680 2.121 -19.511 378 H ASP 58 H ASP 58 9.357 1.502 -17.214 379 HA ASP 58 HA ASP 58 10.877 1.276 -14.830 380 HB2 ASP 58 1HB ASP 58 11.764 0.817 -17.113 381 HB3 ASP 58 2HB ASP 58 11.698 2.545 -17.451 382 H ALA 59 H ALA 59 9.715 2.785 -13.464 383 HA ALA 59 HA ALA 59 10.107 5.618 -14.061 384 HB1 ALA 59 1HB ALA 59 8.503 6.094 -12.436 385 HB2 ALA 59 2HB ALA 59 7.915 4.610 -13.187 386 HB3 ALA 59 3HB ALA 59 8.729 4.545 -11.624 387 H THR 60 H THR 60 10.929 7.049 -12.356 388 HA THR 60 HA THR 60 13.474 6.502 -11.548 389 HB THR 60 HB THR 60 12.937 8.204 -9.615 390 HG1 THR 60 1HG THR 60 10.775 8.855 -11.300 391 HG21 THR 60 1HG2 THR 60 13.513 8.450 -12.409 392 HG22 THR 60 2HG2 THR 60 14.019 9.489 -11.077 393 HG23 THR 60 3HG2 THR 60 12.492 9.795 -11.903 394 HA PRO 61 HA PRO 61 13.420 3.776 -8.108 395 HB2 PRO 61 1HB PRO 61 15.434 4.764 -6.579 396 HB3 PRO 61 2HB PRO 61 15.713 3.909 -8.101 397 HG2 PRO 61 1HG PRO 61 15.672 6.854 -7.563 398 HG3 PRO 61 2HG PRO 61 16.800 5.914 -8.557 399 HD2 PRO 61 1HD PRO 61 14.761 7.341 -9.623 400 HD3 PRO 61 2HD PRO 61 15.351 5.831 -10.348 401 H GLN 62 H GLN 62 12.746 7.098 -7.709 402 HA GLN 62 HA GLN 62 12.096 6.824 -4.876 403 HB2 GLN 62 1HB GLN 62 13.255 8.855 -5.539 404 HB3 GLN 62 2HB GLN 62 12.006 9.214 -6.724 405 HG2 GLN 62 1HG GLN 62 10.448 9.781 -5.096 406 HG3 GLN 62 2HG GLN 62 11.337 8.948 -3.822 407 HE21 GLN 62 1HE2 GLN 62 12.369 10.218 -2.472 408 HE22 GLN 62 2HE2 GLN 62 12.971 11.802 -2.813 409 H ASP 63 H ASP 63 10.577 6.979 -7.993 410 HA ASP 63 HA ASP 63 7.937 7.501 -6.967 411 HB2 ASP 63 1HB ASP 63 9.133 6.978 -9.645 412 HB3 ASP 63 2HB ASP 63 7.415 6.648 -9.439 413 H GLN 64 H GLN 64 9.800 4.691 -7.962 414 HA GLN 64 HA GLN 64 7.795 2.782 -8.107 415 HB2 GLN 64 1HB GLN 64 10.705 2.721 -7.501 416 HB3 GLN 64 2HB GLN 64 9.772 1.281 -7.118 417 HG2 GLN 64 1HG GLN 64 9.318 0.818 -9.310 418 HG3 GLN 64 2HG GLN 64 9.465 2.502 -9.810 419 HE21 GLN 64 1HE2 GLN 64 10.792 1.781 -11.537 420 HE22 GLN 64 2HE2 GLN 64 12.453 1.392 -11.270 421 H ALA 65 H ALA 65 9.288 4.251 -5.314 422 HA ALA 65 HA ALA 65 8.255 2.366 -3.420 423 HB1 ALA 65 1HB ALA 65 9.089 3.867 -1.731 424 HB2 ALA 65 2HB ALA 65 10.289 3.717 -3.015 425 HB3 ALA 65 3HB ALA 65 9.276 5.157 -2.919 426 H VAL 66 H VAL 66 7.585 5.859 -3.659 427 HA VAL 66 HA VAL 66 5.386 6.112 -2.152 428 HB VAL 66 HB VAL 66 6.401 7.945 -3.495 429 HG11 VAL 66 1HG1 VAL 66 6.539 6.937 -5.658 430 HG12 VAL 66 2HG1 VAL 66 4.792 6.693 -5.715 431 HG13 VAL 66 3HG1 VAL 66 5.459 8.325 -5.778 432 HG21 VAL 66 1HG2 VAL 66 4.225 9.119 -3.957 433 HG22 VAL 66 2HG2 VAL 66 3.409 7.608 -3.556 434 HG23 VAL 66 3HG2 VAL 66 4.382 8.434 -2.339 435 H LEU 67 H LEU 67 5.532 4.461 -5.220 436 HA LEU 67 HA LEU 67 2.689 4.248 -5.549 437 HB2 LEU 67 1HB LEU 67 5.036 2.926 -6.880 438 HB3 LEU 67 2HB LEU 67 3.371 2.504 -7.273 439 HG LEU 67 HG LEU 67 4.428 5.310 -7.522 440 HD11 LEU 67 1HD1 LEU 67 5.811 4.323 -9.051 441 HD12 LEU 67 2HD1 LEU 67 4.379 4.577 -10.048 442 HD13 LEU 67 3HD1 LEU 67 4.703 2.986 -9.360 443 HD21 LEU 67 1HD2 LEU 67 2.382 5.820 -8.227 444 HD22 LEU 67 2HD2 LEU 67 1.869 4.232 -7.655 445 HD23 LEU 67 3HD2 LEU 67 2.350 4.451 -9.339 446 H HIS 68 H HIS 68 5.275 2.070 -4.474 447 HA HIS 68 HA HIS 68 3.812 -0.250 -4.120 448 HB2 HIS 68 1HB HIS 68 6.201 0.869 -2.677 449 HB3 HIS 68 2HB HIS 68 5.501 -0.676 -2.205 450 HD1 HIS 68 1HD HIS 68 5.005 -2.061 -4.796 451 HD2 HIS 68 2HD HIS 68 8.385 0.265 -4.142 452 HE1 HIS 68 1HE HIS 68 6.712 -2.874 -6.455 453 HE2 HIS 68 2HE HIS 68 8.776 -1.510 -5.982 454 H ARG 69 H ARG 69 4.519 2.198 -1.620 455 HA ARG 69 HA ARG 69 2.987 1.142 0.421 456 HB2 ARG 69 1HB ARG 69 2.887 3.438 1.329 457 HB3 ARG 69 2HB ARG 69 4.501 3.000 0.786 458 HG2 ARG 69 1HG ARG 69 4.441 4.445 -1.002 459 HG3 ARG 69 2HG ARG 69 2.678 4.458 -1.067 460 HD2 ARG 69 1HD ARG 69 2.798 5.613 1.219 461 HD3 ARG 69 2HD ARG 69 4.499 5.885 0.843 462 HE ARG 69 HE ARG 69 3.304 6.860 -1.339 463 HH11 ARG 69 2HH1 ARG 69 2.650 7.330 2.048 464 HH12 ARG 69 1HH1 ARG 69 2.032 8.935 1.839 465 HH21 ARG 69 2HH2 ARG 69 2.492 8.972 -1.627 466 HH22 ARG 69 1HH2 ARG 69 1.941 9.867 -0.251 467 H ASN 70 H ASN 70 1.976 2.849 -2.431 468 HA ASN 70 HA ASN 70 -0.677 3.417 -1.478 469 HB2 ASN 70 1HB ASN 70 0.765 3.714 -4.083 470 HB3 ASN 70 2HB ASN 70 -0.995 3.781 -4.071 471 HD21 ASN 70 1HD2 ASN 70 0.880 5.870 -4.730 472 HD22 ASN 70 2HD2 ASN 70 0.583 7.167 -3.628 473 H ARG 71 H ARG 71 0.726 1.117 -3.802 474 HA ARG 71 HA ARG 71 -1.539 -0.185 -4.639 475 HB2 ARG 71 1HB ARG 71 1.239 -1.222 -4.107 476 HB3 ARG 71 2HB ARG 71 -0.021 -2.246 -4.783 477 HG2 ARG 71 1HG ARG 71 0.511 0.365 -6.093 478 HG3 ARG 71 2HG ARG 71 1.678 -0.941 -6.313 479 HD2 ARG 71 1HD ARG 71 -1.265 -1.000 -6.962 480 HD3 ARG 71 2HD ARG 71 0.075 -1.003 -8.108 481 HE ARG 71 HE ARG 71 -0.938 -3.247 -6.605 482 HH11 ARG 71 2HH1 ARG 71 1.752 -1.935 -8.383 483 HH12 ARG 71 1HH1 ARG 71 2.436 -3.485 -8.747 484 HH21 ARG 71 2HH2 ARG 71 -0.048 -5.293 -7.077 485 HH22 ARG 71 1HH2 ARG 71 1.411 -5.394 -8.004 486 H ALA 72 H ALA 72 0.375 -0.877 -1.727 487 HA ALA 72 HA ALA 72 -0.907 -3.099 -0.767 488 HB1 ALA 72 1HB ALA 72 -0.372 -1.123 1.323 489 HB2 ALA 72 2HB ALA 72 0.281 -2.746 1.099 490 HB3 ALA 72 3HB ALA 72 0.975 -1.387 0.216 491 H ALA 73 H ALA 73 -1.852 0.287 -0.203 492 HA ALA 73 HA ALA 73 -3.965 0.058 1.465 493 HB1 ALA 73 1HB ALA 73 -4.589 1.746 -0.852 494 HB2 ALA 73 2HB ALA 73 -4.479 2.158 0.859 495 HB3 ALA 73 3HB ALA 73 -3.015 2.048 -0.117 496 H CYS 74 H CYS 74 -4.479 0.071 -2.067 497 HA CYS 74 HA CYS 74 -7.072 -0.697 -2.188 498 HB2 CYS 74 1HB CYS 74 -4.820 -1.633 -3.977 499 HB3 CYS 74 2HB CYS 74 -6.528 -1.810 -4.360 500 HG CYS 74 HG CYS 74 -4.558 0.892 -4.570 501 H HIS 75 H HIS 75 -4.321 -2.958 -2.061 502 HA HIS 75 HA HIS 75 -5.739 -5.336 -2.052 503 HB2 HIS 75 1HB HIS 75 -3.081 -4.508 -0.960 504 HB3 HIS 75 2HB HIS 75 -3.705 -6.104 -0.555 505 HD1 HIS 75 1HD HIS 75 -5.014 -6.648 -3.384 506 HD2 HIS 75 2HD HIS 75 -1.121 -5.369 -2.698 507 HE1 HIS 75 1HE HIS 75 -3.711 -7.339 -5.420 508 HE2 HIS 75 2HE HIS 75 -1.341 -6.631 -4.945 509 H LEU 76 H LEU 76 -4.374 -3.809 0.871 510 HA LEU 76 HA LEU 76 -5.507 -5.296 2.817 511 HB2 LEU 76 1HB LEU 76 -5.147 -2.313 2.713 512 HB3 LEU 76 2HB LEU 76 -5.659 -3.159 4.172 513 HG LEU 76 HG LEU 76 -3.139 -4.025 2.840 514 HD11 LEU 76 1HD1 LEU 76 -1.836 -2.324 3.844 515 HD12 LEU 76 2HD1 LEU 76 -3.226 -1.672 4.711 516 HD13 LEU 76 3HD1 LEU 76 -3.126 -1.509 2.958 517 HD21 LEU 76 1HD2 LEU 76 -4.448 -4.210 5.467 518 HD22 LEU 76 2HD2 LEU 76 -2.705 -3.941 5.508 519 HD23 LEU 76 3HD2 LEU 76 -3.362 -5.337 4.654 520 H LYS 77 H LYS 77 -7.141 -2.927 0.820 521 HA LYS 77 HA LYS 77 -9.589 -3.032 2.341 522 HB2 LYS 77 1HB LYS 77 -9.149 -1.898 -0.424 523 HB3 LYS 77 2HB LYS 77 -10.488 -1.549 0.661 524 HG2 LYS 77 1HG LYS 77 -7.707 -0.962 1.552 525 HG3 LYS 77 2HG LYS 77 -8.503 0.125 0.412 526 HD2 LYS 77 1HD LYS 77 -10.343 0.445 1.967 527 HD3 LYS 77 2HD LYS 77 -9.617 -0.705 3.092 528 HE2 LYS 77 1HE LYS 77 -9.168 1.583 3.787 529 HE3 LYS 77 2HE LYS 77 -7.674 0.764 3.335 530 HZ1 LYS 77 1HZ LYS 77 -7.876 1.848 1.130 531 HZ2 LYS 77 2HZ LYS 77 -7.650 2.939 2.402 532 HZ3 LYS 77 3HZ LYS 77 -9.186 2.742 1.720 533 H LEU 78 H LEU 78 -8.352 -4.398 -0.668 534 HA LEU 78 HA LEU 78 -10.862 -5.774 -1.178 535 HB2 LEU 78 1HB LEU 78 -8.245 -5.825 -2.673 536 HB3 LEU 78 2HB LEU 78 -9.739 -6.595 -3.203 537 HG LEU 78 HG LEU 78 -9.733 -3.654 -2.709 538 HD11 LEU 78 1HD1 LEU 78 -9.002 -4.605 -5.420 539 HD12 LEU 78 2HD1 LEU 78 -7.730 -4.545 -4.201 540 HD13 LEU 78 3HD1 LEU 78 -8.628 -3.084 -4.611 541 HD21 LEU 78 1HD2 LEU 78 -11.534 -3.638 -4.156 542 HD22 LEU 78 2HD2 LEU 78 -11.732 -5.188 -3.338 543 HD23 LEU 78 3HD2 LEU 78 -11.038 -5.128 -4.959 544 H GLU 79 H GLU 79 -9.854 -6.587 1.214 545 HA GLU 79 HA GLU 79 -8.942 -8.344 2.400 546 HB2 GLU 79 1HB GLU 79 -10.876 -9.411 0.402 547 HB3 GLU 79 2HB GLU 79 -9.936 -10.572 1.330 548 HG2 GLU 79 1HG GLU 79 -11.986 -10.249 2.467 549 HG3 GLU 79 2HG GLU 79 -10.734 -9.438 3.406 550 H ASP 80 H ASP 80 -6.894 -7.516 0.985 551 HA ASP 80 HA ASP 80 -5.666 -9.993 -0.012 552 HB2 ASP 80 1HB ASP 80 -5.336 -7.249 -1.244 553 HB3 ASP 80 2HB ASP 80 -4.475 -8.703 -1.739 554 H TYR 81 H TYR 81 -5.541 -8.784 2.599 555 HA TYR 81 HA TYR 81 -3.398 -7.184 3.165 556 HB2 TYR 81 1HB TYR 81 -4.031 -9.643 4.793 557 HB3 TYR 81 2HB TYR 81 -3.388 -8.105 5.359 558 HD1 TYR 81 1HD TYR 81 -6.400 -9.892 4.274 559 HD2 TYR 81 2HD TYR 81 -4.844 -6.201 5.710 560 HE1 TYR 81 1HE TYR 81 -8.685 -9.128 4.769 561 HE2 TYR 81 2HE TYR 81 -7.125 -5.427 6.209 562 HH TYR 81 HH TYR 81 -9.320 -5.846 5.900 563 H ASP 82 H ASP 82 -3.343 -10.703 2.687 564 HA ASP 82 HA ASP 82 -0.829 -11.427 3.266 565 HB2 ASP 82 1HB ASP 82 -1.962 -12.164 0.574 566 HB3 ASP 82 2HB ASP 82 -0.970 -13.144 1.650 567 H LYS 83 H LYS 83 -1.637 -10.185 0.019 568 HA LYS 83 HA LYS 83 1.042 -9.831 -0.777 569 HB2 LYS 83 1HB LYS 83 -1.459 -8.477 -1.804 570 HB3 LYS 83 2HB LYS 83 0.101 -8.472 -2.616 571 HG2 LYS 83 1HG LYS 83 -0.041 -10.712 -3.183 572 HG3 LYS 83 2HG LYS 83 -1.238 -11.056 -1.932 573 HD2 LYS 83 1HD LYS 83 -2.392 -11.093 -4.005 574 HD3 LYS 83 2HD LYS 83 -2.831 -9.578 -3.212 575 HE2 LYS 83 1HE LYS 83 -2.387 -8.875 -5.364 576 HE3 LYS 83 2HE LYS 83 -0.836 -8.606 -4.571 577 HZ1 LYS 83 1HZ LYS 83 0.004 -9.809 -6.227 578 HZ2 LYS 83 2HZ LYS 83 -1.506 -10.400 -6.706 579 HZ3 LYS 83 3HZ LYS 83 -0.657 -11.163 -5.458 580 H ALA 84 H ALA 84 -1.366 -7.497 0.412 581 HA ALA 84 HA ALA 84 -0.042 -5.141 0.251 582 HB1 ALA 84 1HB ALA 84 -2.258 -5.257 1.170 583 HB2 ALA 84 2HB ALA 84 -1.673 -6.141 2.580 584 HB3 ALA 84 3HB ALA 84 -1.203 -4.459 2.336 585 H GLU 85 H GLU 85 0.310 -7.450 2.946 586 HA GLU 85 HA GLU 85 2.103 -6.170 4.532 587 HB2 GLU 85 1HB GLU 85 1.174 -8.417 4.986 588 HB3 GLU 85 2HB GLU 85 2.250 -9.092 3.770 589 HG2 GLU 85 1HG GLU 85 3.446 -7.519 5.985 590 HG3 GLU 85 2HG GLU 85 2.847 -9.141 6.332 591 H THR 86 H THR 86 2.904 -8.077 1.644 592 HA THR 86 HA THR 86 5.704 -7.561 1.810 593 HB THR 86 HB THR 86 4.149 -8.422 -0.634 594 HG1 THR 86 1HG THR 86 5.184 -9.908 1.557 595 HG21 THR 86 1HG2 THR 86 6.546 -9.671 -0.754 596 HG22 THR 86 2HG2 THR 86 7.006 -8.167 0.044 597 HG23 THR 86 3HG2 THR 86 6.204 -8.123 -1.526 598 H GLU 87 H GLU 87 2.997 -6.030 0.185 599 HA GLU 87 HA GLU 87 4.480 -4.379 -1.558 600 HB2 GLU 87 1HB GLU 87 1.706 -4.187 -0.406 601 HB3 GLU 87 2HB GLU 87 2.350 -2.941 -1.466 602 HG2 GLU 87 1HG GLU 87 2.875 -5.026 -3.001 603 HG3 GLU 87 2HG GLU 87 1.549 -5.729 -2.077 604 H ALA 88 H ALA 88 3.711 -4.152 1.819 605 HA ALA 88 HA ALA 88 4.420 -1.353 2.014 606 HB1 ALA 88 1HB ALA 88 4.230 -2.989 4.465 607 HB2 ALA 88 2HB ALA 88 3.541 -1.408 4.097 608 HB3 ALA 88 3HB ALA 88 2.769 -2.870 3.483 609 H SER 89 H SER 89 5.800 -4.465 3.023 610 HA SER 89 HA SER 89 8.103 -3.399 4.254 611 HB2 SER 89 1HB SER 89 8.997 -5.678 4.130 612 HB3 SER 89 2HB SER 89 7.310 -5.704 4.642 613 HG SER 89 HG SER 89 8.098 -6.037 1.943 614 H LYS 90 H LYS 90 7.220 -3.694 0.983 615 HA LYS 90 HA LYS 90 9.969 -3.659 0.013 616 HB2 LYS 90 1HB LYS 90 9.042 -3.898 -2.186 617 HB3 LYS 90 2HB LYS 90 8.207 -5.024 -1.124 618 HG2 LYS 90 1HG LYS 90 6.272 -3.652 -1.049 619 HG3 LYS 90 2HG LYS 90 7.112 -2.318 -1.843 620 HD2 LYS 90 1HD LYS 90 5.610 -3.526 -3.376 621 HD3 LYS 90 2HD LYS 90 7.298 -3.611 -3.886 622 HE2 LYS 90 1HE LYS 90 7.470 -5.843 -2.865 623 HE3 LYS 90 2HE LYS 90 5.768 -5.755 -2.413 624 HZ1 LYS 90 1HZ LYS 90 6.575 -6.902 -4.635 625 HZ2 LYS 90 2HZ LYS 90 6.426 -5.323 -5.223 626 HZ3 LYS 90 3HZ LYS 90 5.090 -6.097 -4.531 627 H ALA 91 H ALA 91 7.224 -1.536 0.424 628 HA ALA 91 HA ALA 91 8.298 0.607 -1.147 629 HB1 ALA 91 1HB ALA 91 5.816 0.033 -0.261 630 HB2 ALA 91 2HB ALA 91 6.300 1.254 0.916 631 HB3 ALA 91 3HB ALA 91 6.322 1.633 -0.806 632 H ILE 92 H ILE 92 8.596 -0.456 2.137 633 HA ILE 92 HA ILE 92 9.529 2.037 3.195 634 HB ILE 92 HB ILE 92 9.662 -0.777 4.270 635 HG12 ILE 92 1HG1 ILE 92 8.111 1.521 5.422 636 HG13 ILE 92 2HG1 ILE 92 7.462 0.607 4.064 637 HG21 ILE 92 1HG2 ILE 92 10.057 1.100 6.336 638 HG22 ILE 92 2HG2 ILE 92 11.183 -0.120 5.744 639 HG23 ILE 92 3HG2 ILE 92 11.194 1.501 5.049 640 HD11 ILE 92 1HD1 ILE 92 7.573 -1.437 5.380 641 HD12 ILE 92 2HD1 ILE 92 8.241 -0.530 6.738 642 HD13 ILE 92 3HD1 ILE 92 6.599 -0.206 6.183 643 H GLU 93 H GLU 93 11.159 -1.066 2.520 644 HA GLU 93 HA GLU 93 13.754 -0.322 3.047 645 HB2 GLU 93 1HB GLU 93 14.457 -2.120 1.583 646 HB3 GLU 93 2HB GLU 93 13.038 -2.620 2.492 647 HG2 GLU 93 1HG GLU 93 11.627 -2.336 0.597 648 HG3 GLU 93 2HG GLU 93 12.920 -1.563 -0.319 649 H LYS 94 H LYS 94 11.831 0.322 0.179 650 HA LYS 94 HA LYS 94 13.935 1.284 -1.450 651 HB2 LYS 94 1HB LYS 94 10.948 1.601 -1.492 652 HB3 LYS 94 2HB LYS 94 11.959 2.492 -2.623 653 HG2 LYS 94 1HG LYS 94 12.340 -0.448 -2.385 654 HG3 LYS 94 2HG LYS 94 10.930 0.162 -3.253 655 HD2 LYS 94 1HD LYS 94 12.641 1.661 -4.490 656 HD3 LYS 94 2HD LYS 94 13.838 0.515 -3.882 657 HE2 LYS 94 1HE LYS 94 12.286 -1.289 -4.874 658 HE3 LYS 94 2HE LYS 94 11.560 0.041 -5.774 659 HZ1 LYS 94 1HZ LYS 94 13.370 -1.166 -6.958 660 HZ2 LYS 94 2HZ LYS 94 14.463 -0.566 -5.816 661 HZ3 LYS 94 3HZ LYS 94 13.621 0.502 -6.823 662 H ASP 95 H ASP 95 11.419 3.066 0.347 663 HA ASP 95 HA ASP 95 12.699 5.588 -0.041 664 HB2 ASP 95 1HB ASP 95 10.387 4.635 1.624 665 HB3 ASP 95 2HB ASP 95 11.023 6.265 1.827 666 H GLY 96 H GLY 96 12.002 3.866 3.010 667 HA2 GLY 96 1HA GLY 96 13.511 3.407 4.747 668 HA3 GLY 96 2HA GLY 96 14.714 4.398 3.933 669 H GLY 97 H GLY 97 11.481 5.585 4.453 670 HA2 GLY 97 1HA GLY 97 11.828 6.794 6.963 671 HA3 GLY 97 2HA GLY 97 12.355 7.931 5.730 672 H ASP 98 H ASP 98 9.779 5.622 5.209 673 HA ASP 98 HA ASP 98 7.855 7.855 5.230 674 HB2 ASP 98 1HB ASP 98 8.295 5.650 3.270 675 HB3 ASP 98 2HB ASP 98 6.644 6.204 3.536 676 H VAL 99 H VAL 99 7.181 7.466 7.348 677 HA VAL 99 HA VAL 99 6.500 5.009 8.461 678 HB VAL 99 HB VAL 99 5.223 6.219 10.112 679 HG11 VAL 99 1HG1 VAL 99 7.781 7.451 9.177 680 HG12 VAL 99 2HG1 VAL 99 6.925 8.133 10.562 681 HG13 VAL 99 3HG1 VAL 99 7.470 6.455 10.598 682 HG21 VAL 99 1HG2 VAL 99 5.365 8.538 8.189 683 HG22 VAL 99 2HG2 VAL 99 3.918 7.662 8.689 684 HG23 VAL 99 3HG2 VAL 99 4.799 8.650 9.855 685 H LYS 100 H LYS 100 4.640 7.168 6.410 686 HA LYS 100 HA LYS 100 2.076 6.394 6.673 687 HB2 LYS 100 1HB LYS 100 3.436 6.556 3.980 688 HB3 LYS 100 2HB LYS 100 1.735 6.840 4.325 689 HG2 LYS 100 1HG LYS 100 4.056 8.531 5.229 690 HG3 LYS 100 2HG LYS 100 2.870 8.938 3.987 691 HD2 LYS 100 1HD LYS 100 2.137 8.380 6.856 692 HD3 LYS 100 2HD LYS 100 2.493 9.997 6.243 693 HE2 LYS 100 1HE LYS 100 0.222 9.973 5.991 694 HE3 LYS 100 2HE LYS 100 0.705 9.325 4.425 695 HZ1 LYS 100 1HZ LYS 100 -1.014 8.153 6.182 696 HZ2 LYS 100 2HZ LYS 100 0.420 7.286 6.411 697 HZ3 LYS 100 3HZ LYS 100 -0.268 7.391 4.869 698 H ALA 101 H ALA 101 4.634 4.493 5.170 699 HA ALA 101 HA ALA 101 2.900 2.391 4.298 700 HB1 ALA 101 1HB ALA 101 4.814 2.443 3.036 701 HB2 ALA 101 2HB ALA 101 5.850 2.794 4.420 702 HB3 ALA 101 3HB ALA 101 5.215 1.166 4.185 703 H LEU 102 H LEU 102 5.255 2.689 6.956 704 HA LEU 102 HA LEU 102 5.141 0.273 8.144 705 HB2 LEU 102 1HB LEU 102 5.131 3.010 9.367 706 HB3 LEU 102 2HB LEU 102 5.188 1.562 10.369 707 HG LEU 102 HG LEU 102 7.220 2.004 8.211 708 HD11 LEU 102 1HD1 LEU 102 8.099 2.782 10.863 709 HD12 LEU 102 2HD1 LEU 102 6.828 3.834 10.242 710 HD13 LEU 102 3HD1 LEU 102 8.309 3.600 9.315 711 HD21 LEU 102 1HD2 LEU 102 7.654 -0.066 8.988 712 HD22 LEU 102 2HD2 LEU 102 6.823 0.215 10.518 713 HD23 LEU 102 3HD2 LEU 102 8.466 0.814 10.283 714 H TYR 103 H TYR 103 2.748 2.856 8.671 715 HA TYR 103 HA TYR 103 1.082 1.439 10.413 716 HB2 TYR 103 1HB TYR 103 0.943 3.880 10.028 717 HB3 TYR 103 2HB TYR 103 0.284 3.575 8.424 718 HD1 TYR 103 2HD TYR 103 -0.525 1.835 11.610 719 HD2 TYR 103 1HD TYR 103 -1.874 4.471 8.555 720 HE1 TYR 103 2HE TYR 103 -2.793 1.765 12.559 721 HE2 TYR 103 1HE TYR 103 -4.145 4.410 9.497 722 HH TYR 103 HH TYR 103 -5.178 3.944 11.782 723 H ARG 104 H ARG 104 1.011 1.718 6.879 724 HA ARG 104 HA ARG 104 -1.338 0.254 6.440 725 HB2 ARG 104 1HB ARG 104 1.082 0.820 4.750 726 HB3 ARG 104 2HB ARG 104 -0.213 -0.212 4.157 727 HG2 ARG 104 1HG ARG 104 -0.814 2.517 5.220 728 HG3 ARG 104 2HG ARG 104 -0.232 2.296 3.568 729 HD2 ARG 104 1HD ARG 104 -2.106 0.991 2.977 730 HD3 ARG 104 2HD ARG 104 -2.582 0.776 4.661 731 HE ARG 104 HE ARG 104 -3.256 2.960 2.955 732 HH11 ARG 104 2HH1 ARG 104 -2.616 2.078 6.261 733 HH12 ARG 104 1HH1 ARG 104 -3.565 3.366 6.926 734 HH21 ARG 104 2HH2 ARG 104 -4.508 4.660 3.818 735 HH22 ARG 104 1HH2 ARG 104 -4.642 4.834 5.535 736 H ARG 105 H ARG 105 2.015 -0.768 6.815 737 HA ARG 105 HA ARG 105 1.715 -3.446 6.046 738 HB2 ARG 105 1HB ARG 105 3.901 -2.365 6.351 739 HB3 ARG 105 2HB ARG 105 3.612 -2.266 8.083 740 HG2 ARG 105 1HG ARG 105 3.715 -4.628 8.319 741 HG3 ARG 105 2HG ARG 105 3.709 -4.861 6.570 742 HD2 ARG 105 1HD ARG 105 5.902 -4.265 6.345 743 HD3 ARG 105 2HD ARG 105 5.865 -3.191 7.742 744 HE ARG 105 HE ARG 105 6.527 -4.942 9.052 745 HH11 ARG 105 2HH1 ARG 105 5.314 -6.183 6.034 746 HH12 ARG 105 1HH1 ARG 105 5.792 -7.816 6.364 747 HH21 ARG 105 2HH2 ARG 105 7.160 -7.087 9.498 748 HH22 ARG 105 1HH2 ARG 105 6.840 -8.329 8.335 749 H SER 106 H SER 106 1.754 -2.069 9.339 750 HA SER 106 HA SER 106 1.247 -4.289 10.828 751 HB2 SER 106 1HB SER 106 0.223 -2.843 12.493 752 HB3 SER 106 2HB SER 106 1.577 -1.998 11.743 753 HG SER 106 HG SER 106 0.096 -0.501 11.506 754 H GLN 107 H GLN 107 -1.193 -2.282 9.201 755 HA GLN 107 HA GLN 107 -3.521 -3.414 10.008 756 HB2 GLN 107 1HB GLN 107 -2.829 -2.694 7.155 757 HB3 GLN 107 2HB GLN 107 -4.455 -2.874 7.798 758 HG2 GLN 107 1HG GLN 107 -2.511 -0.893 8.932 759 HG3 GLN 107 2HG GLN 107 -3.539 -0.516 7.550 760 HE21 GLN 107 1HE2 GLN 107 -5.892 -0.924 7.892 761 HE22 GLN 107 2HE2 GLN 107 -6.553 -0.514 9.435 762 H ALA 108 H ALA 108 -1.301 -4.728 7.587 763 HA ALA 108 HA ALA 108 -2.941 -6.985 6.968 764 HB1 ALA 108 1HB ALA 108 -0.660 -7.814 6.004 765 HB2 ALA 108 2HB ALA 108 -1.516 -6.478 5.235 766 HB3 ALA 108 3HB ALA 108 -0.154 -6.152 6.306 767 H LEU 109 H LEU 109 0.167 -6.701 8.703 768 HA LEU 109 HA LEU 109 0.630 -9.196 9.553 769 HB2 LEU 109 1HB LEU 109 0.760 -6.676 11.193 770 HB3 LEU 109 2HB LEU 109 1.425 -8.217 11.732 771 HG LEU 109 HG LEU 109 2.309 -6.789 9.228 772 HD11 LEU 109 1HD1 LEU 109 2.793 -6.043 11.889 773 HD12 LEU 109 2HD1 LEU 109 3.603 -5.457 10.437 774 HD13 LEU 109 3HD1 LEU 109 4.264 -6.833 11.320 775 HD21 LEU 109 1HD2 LEU 109 2.727 -9.168 9.181 776 HD22 LEU 109 2HD2 LEU 109 3.454 -9.104 10.786 777 HD23 LEU 109 3HD2 LEU 109 4.246 -8.305 9.427 778 H GLU 110 H GLU 110 -1.640 -6.988 11.182 779 HA GLU 110 HA GLU 110 -2.501 -8.700 13.188 780 HB2 GLU 110 1HB GLU 110 -4.133 -6.621 11.719 781 HB3 GLU 110 2HB GLU 110 -4.534 -7.321 13.282 782 HG2 GLU 110 1HG GLU 110 -2.939 -6.126 14.388 783 HG3 GLU 110 2HG GLU 110 -1.892 -6.005 12.975 784 H LYS 111 H LYS 111 -3.816 -8.266 9.917 785 HA LYS 111 HA LYS 111 -5.883 -10.182 10.196 786 HB2 LYS 111 1HB LYS 111 -4.607 -8.740 7.917 787 HB3 LYS 111 2HB LYS 111 -5.599 -10.147 7.558 788 HG2 LYS 111 1HG LYS 111 -7.151 -8.477 7.409 789 HG3 LYS 111 2HG LYS 111 -7.335 -8.941 9.102 790 HD2 LYS 111 1HD LYS 111 -5.830 -7.108 9.751 791 HD3 LYS 111 2HD LYS 111 -5.691 -6.635 8.056 792 HE2 LYS 111 1HE LYS 111 -7.305 -5.204 9.058 793 HE3 LYS 111 2HE LYS 111 -8.180 -6.339 8.032 794 HZ1 LYS 111 1HZ LYS 111 -9.315 -6.122 10.111 795 HZ2 LYS 111 2HZ LYS 111 -7.908 -6.467 10.985 796 HZ3 LYS 111 3HZ LYS 111 -8.634 -7.669 10.041 797 H LEU 112 H LEU 112 -2.505 -10.421 9.492 798 HA LEU 112 HA LEU 112 -2.701 -13.106 8.421 799 HB2 LEU 112 1HB LEU 112 -0.421 -11.253 9.027 800 HB3 LEU 112 2HB LEU 112 -0.148 -12.941 8.602 801 HG LEU 112 HG LEU 112 -1.613 -10.988 6.835 802 HD11 LEU 112 1HD1 LEU 112 0.326 -10.116 6.218 803 HD12 LEU 112 2HD1 LEU 112 0.920 -11.720 5.787 804 HD13 LEU 112 3HD1 LEU 112 1.159 -11.100 7.421 805 HD21 LEU 112 1HD2 LEU 112 -1.391 -12.635 5.142 806 HD22 LEU 112 2HD2 LEU 112 -2.026 -13.457 6.568 807 HD23 LEU 112 3HD2 LEU 112 -0.321 -13.618 6.143 808 H GLY 113 H GLY 113 -3.168 -12.003 11.387 809 HA2 GLY 113 1HA GLY 113 -3.355 -13.302 13.326 810 HA3 GLY 113 2HA GLY 113 -2.291 -14.498 12.601 811 H ARG 114 H ARG 114 -0.796 -11.645 12.083 812 HA ARG 114 HA ARG 114 0.968 -12.055 14.372 813 HB2 ARG 114 1HB ARG 114 1.289 -10.383 11.873 814 HB3 ARG 114 2HB ARG 114 2.496 -10.516 13.145 815 HG2 ARG 114 1HG ARG 114 3.068 -12.657 12.571 816 HG3 ARG 114 2HG ARG 114 1.489 -13.005 11.866 817 HD2 ARG 114 1HD ARG 114 2.006 -11.579 9.963 818 HD3 ARG 114 2HD ARG 114 3.564 -11.167 10.679 819 HE ARG 114 HE ARG 114 2.877 -13.591 9.284 820 HH11 ARG 114 2HH1 ARG 114 5.041 -12.095 11.564 821 HH12 ARG 114 1HH1 ARG 114 6.322 -13.229 11.290 822 HH21 ARG 114 2HH2 ARG 114 4.556 -15.090 8.915 823 HH22 ARG 114 1HH2 ARG 114 6.046 -14.931 9.782 824 H LEU 115 H LEU 115 -0.432 -11.137 15.961 825 HA LEU 115 HA LEU 115 -1.181 -8.354 15.740 826 HB2 LEU 115 1HB LEU 115 -1.386 -10.214 18.103 827 HB3 LEU 115 2HB LEU 115 -2.178 -8.649 17.930 828 HG LEU 115 HG LEU 115 -2.771 -11.166 16.378 829 HD11 LEU 115 1HD1 LEU 115 -4.827 -11.208 17.517 830 HD12 LEU 115 2HD1 LEU 115 -4.602 -9.578 18.153 831 HD13 LEU 115 3HD1 LEU 115 -3.610 -10.905 18.758 832 HD21 LEU 115 1HD2 LEU 115 -3.467 -9.827 14.741 833 HD22 LEU 115 2HD2 LEU 115 -3.234 -8.380 15.723 834 HD23 LEU 115 3HD2 LEU 115 -4.739 -9.294 15.840 835 H ASP 116 H ASP 116 1.171 -10.293 17.514 836 HA ASP 116 HA ASP 116 2.142 -8.274 19.208 837 HB2 ASP 116 1HB ASP 116 3.868 -10.482 18.108 838 HB3 ASP 116 2HB ASP 116 3.933 -9.726 19.698 839 H GLN 117 H GLN 117 3.004 -9.194 15.917 840 HA GLN 117 HA GLN 117 5.275 -7.503 15.714 841 HB2 GLN 117 1HB GLN 117 3.514 -8.842 13.669 842 HB3 GLN 117 2HB GLN 117 4.865 -7.815 13.207 843 HG2 GLN 117 1HG GLN 117 5.357 -10.258 13.234 844 HG3 GLN 117 2HG GLN 117 6.434 -9.271 14.220 845 HE21 GLN 117 1HE2 GLN 117 3.935 -11.668 14.221 846 HE22 GLN 117 2HE2 GLN 117 4.062 -12.101 15.888 847 H ALA 118 H ALA 118 1.937 -7.164 14.517 848 HA ALA 118 HA ALA 118 1.979 -4.794 13.238 849 HB1 ALA 118 1HB ALA 118 -0.135 -5.346 15.302 850 HB2 ALA 118 2HB ALA 118 -0.298 -4.503 13.762 851 HB3 ALA 118 3HB ALA 118 -0.029 -6.246 13.789 852 H VAL 119 H VAL 119 2.002 -5.202 16.757 853 HA VAL 119 HA VAL 119 1.864 -2.456 17.404 854 HB VAL 119 HB VAL 119 2.899 -4.829 18.946 855 HG11 VAL 119 1HG1 VAL 119 3.977 -3.410 20.283 856 HG12 VAL 119 2HG1 VAL 119 3.276 -2.005 19.477 857 HG13 VAL 119 3HG1 VAL 119 2.393 -2.811 20.774 858 HG21 VAL 119 1HG2 VAL 119 0.423 -3.141 19.289 859 HG22 VAL 119 2HG2 VAL 119 0.476 -4.720 18.505 860 HG23 VAL 119 3HG2 VAL 119 0.854 -4.574 20.222 861 H LEU 120 H LEU 120 4.638 -4.683 17.213 862 HA LEU 120 HA LEU 120 6.639 -2.859 17.856 863 HB2 LEU 120 1HB LEU 120 6.841 -5.167 15.928 864 HB3 LEU 120 2HB LEU 120 8.180 -4.381 16.762 865 HG LEU 120 HG LEU 120 5.980 -5.866 18.188 866 HD11 LEU 120 1HD1 LEU 120 8.450 -6.834 16.873 867 HD12 LEU 120 2HD1 LEU 120 6.909 -7.649 17.137 868 HD13 LEU 120 3HD1 LEU 120 8.063 -7.494 18.462 869 HD21 LEU 120 1HD2 LEU 120 7.027 -5.335 20.090 870 HD22 LEU 120 2HD2 LEU 120 7.822 -4.077 19.143 871 HD23 LEU 120 3HD2 LEU 120 8.624 -5.627 19.400 872 H ASP 121 H ASP 121 5.762 -3.956 14.574 873 HA ASP 121 HA ASP 121 7.296 -2.198 13.120 874 HB2 ASP 121 1HB ASP 121 5.656 -4.127 12.388 875 HB3 ASP 121 2HB ASP 121 4.524 -2.796 12.167 876 H LEU 122 H LEU 122 4.282 -1.599 14.781 877 HA LEU 122 HA LEU 122 3.781 0.938 13.555 878 HB2 LEU 122 1HB LEU 122 2.678 -0.470 15.965 879 HB3 LEU 122 2HB LEU 122 2.212 1.182 15.564 880 HG LEU 122 HG LEU 122 1.888 -1.021 13.559 881 HD11 LEU 122 1HD1 LEU 122 0.650 -1.011 16.083 882 HD12 LEU 122 2HD1 LEU 122 0.254 -2.007 14.683 883 HD13 LEU 122 3HD1 LEU 122 -0.562 -0.463 14.924 884 HD21 LEU 122 1HD2 LEU 122 1.395 0.904 12.466 885 HD22 LEU 122 2HD2 LEU 122 0.955 1.763 13.942 886 HD23 LEU 122 3HD2 LEU 122 -0.180 0.627 13.211 887 H GLN 123 H GLN 123 5.021 -0.074 16.733 888 HA GLN 123 HA GLN 123 5.382 2.246 18.042 889 HB2 GLN 123 1HB GLN 123 7.351 -0.025 17.776 890 HB3 GLN 123 2HB GLN 123 7.545 1.287 18.931 891 HG2 GLN 123 1HG GLN 123 5.134 0.603 19.665 892 HG3 GLN 123 2HG GLN 123 5.552 -0.924 18.889 893 HE21 GLN 123 1HE2 GLN 123 6.130 -2.350 20.350 894 HE22 GLN 123 2HE2 GLN 123 7.129 -2.055 21.728 895 H ARG 124 H ARG 124 6.990 1.313 15.120 896 HA ARG 124 HA ARG 124 9.066 3.291 15.287 897 HB2 ARG 124 1HB ARG 124 8.073 1.596 12.991 898 HB3 ARG 124 2HB ARG 124 9.456 2.677 12.889 899 HG2 ARG 124 1HG ARG 124 10.773 1.344 14.214 900 HG3 ARG 124 2HG ARG 124 9.392 0.605 15.027 901 HD2 ARG 124 1HD ARG 124 8.837 -0.562 12.911 902 HD3 ARG 124 2HD ARG 124 10.304 0.105 12.197 903 HE ARG 124 HE ARG 124 10.118 -2.129 13.962 904 HH11 ARG 124 2HH1 ARG 124 12.161 0.515 12.986 905 HH12 ARG 124 1HH1 ARG 124 13.630 -0.277 13.450 906 HH21 ARG 124 2HH2 ARG 124 12.045 -3.183 14.576 907 HH22 ARG 124 1HH2 ARG 124 13.563 -2.381 14.354 908 H CYS 125 H CYS 125 6.172 2.924 13.234 909 HA CYS 125 HA CYS 125 6.271 5.278 11.842 910 HB2 CYS 125 1HB CYS 125 3.923 5.070 11.481 911 HB3 CYS 125 2HB CYS 125 4.559 3.435 11.616 912 HG CYS 125 HG CYS 125 3.515 2.858 14.037 913 H VAL 126 H VAL 126 5.700 4.850 15.207 914 HA VAL 126 HA VAL 126 4.463 7.423 15.618 915 HB VAL 126 HB VAL 126 5.658 5.564 17.678 916 HG11 VAL 126 1HG1 VAL 126 4.088 6.745 19.204 917 HG12 VAL 126 2HG1 VAL 126 5.363 7.779 18.556 918 HG13 VAL 126 3HG1 VAL 126 3.730 7.871 17.896 919 HG21 VAL 126 1HG2 VAL 126 3.743 4.352 17.743 920 HG22 VAL 126 2HG2 VAL 126 2.731 5.717 17.272 921 HG23 VAL 126 3HG2 VAL 126 3.659 4.846 16.051 922 H SER 127 H SER 127 7.666 5.995 16.052 923 HA SER 127 HA SER 127 8.887 8.138 17.377 924 HB2 SER 127 1HB SER 127 9.750 5.715 16.840 925 HB3 SER 127 2HB SER 127 10.421 6.484 15.402 926 HG SER 127 HG SER 127 11.414 8.011 16.888 927 H LEU 128 H LEU 128 8.988 7.334 13.902 928 HA LEU 128 HA LEU 128 10.343 9.624 13.064 929 HB2 LEU 128 1HB LEU 128 8.612 7.596 11.775 930 HB3 LEU 128 2HB LEU 128 8.875 9.099 10.894 931 HG LEU 128 HG LEU 128 11.241 7.613 11.937 932 HD11 LEU 128 1HD1 LEU 128 10.306 6.902 9.227 933 HD12 LEU 128 2HD1 LEU 128 9.448 6.164 10.579 934 HD13 LEU 128 3HD1 LEU 128 11.189 5.943 10.415 935 HD21 LEU 128 1HD2 LEU 128 11.503 8.569 9.286 936 HD22 LEU 128 2HD2 LEU 128 12.276 9.174 10.751 937 HD23 LEU 128 3HD2 LEU 128 10.724 9.835 10.235 938 H GLU 129 H GLU 129 6.890 9.036 13.514 939 HA GLU 129 HA GLU 129 6.418 11.911 13.063 940 HB2 GLU 129 1HB GLU 129 4.749 9.506 12.405 941 HB3 GLU 129 2HB GLU 129 3.986 11.068 12.665 942 HG2 GLU 129 1HG GLU 129 5.933 10.277 10.530 943 HG3 GLU 129 2HG GLU 129 4.291 10.892 10.351 944 HA PRO 130 HA PRO 130 5.562 11.196 17.515 945 HB2 PRO 130 1HB PRO 130 6.363 13.676 18.278 946 HB3 PRO 130 2HB PRO 130 7.487 12.330 18.055 947 HG2 PRO 130 1HG PRO 130 6.837 14.583 16.194 948 HG3 PRO 130 2HG PRO 130 8.416 13.880 16.592 949 HD2 PRO 130 1HD PRO 130 7.079 13.265 14.319 950 HD3 PRO 130 2HD PRO 130 8.127 12.101 15.155 951 H LYS 131 H LYS 131 4.571 13.606 15.217 952 HA LYS 131 HA LYS 131 2.544 14.744 16.936 953 HB2 LYS 131 1HB LYS 131 3.245 15.142 14.029 954 HB3 LYS 131 2HB LYS 131 1.875 15.936 14.794 955 HG2 LYS 131 1HG LYS 131 3.439 17.565 15.033 956 HG3 LYS 131 2HG LYS 131 3.723 16.674 16.530 957 HD2 LYS 131 1HD LYS 131 5.870 16.821 15.769 958 HD3 LYS 131 2HD LYS 131 5.388 15.320 14.976 959 HE2 LYS 131 1HE LYS 131 6.367 16.512 13.249 960 HE3 LYS 131 2HE LYS 131 4.654 16.867 13.035 961 HZ1 LYS 131 1HZ LYS 131 5.772 18.759 14.786 962 HZ2 LYS 131 2HZ LYS 131 5.090 19.011 13.258 963 HZ3 LYS 131 3HZ LYS 131 6.742 18.673 13.402 964 H ASN 132 H ASN 132 2.457 13.008 13.817 965 HA ASN 132 HA ASN 132 -0.138 12.590 13.386 966 HB2 ASN 132 1HB ASN 132 2.044 11.443 12.366 967 HB3 ASN 132 2HB ASN 132 1.483 10.090 13.345 968 HD21 ASN 132 1HD2 ASN 132 0.613 12.298 10.764 969 HD22 ASN 132 2HD2 ASN 132 -0.586 11.283 10.046 970 H LYS 133 H LYS 133 -1.824 12.009 14.568 971 HA LYS 133 HA LYS 133 -1.415 10.512 17.035 972 HB2 LYS 133 1HB LYS 133 -3.577 12.239 15.931 973 HB3 LYS 133 2HB LYS 133 -4.030 11.007 17.101 974 HG2 LYS 133 1HG LYS 133 -3.649 12.779 18.485 975 HG3 LYS 133 2HG LYS 133 -2.049 12.032 18.479 976 HD2 LYS 133 1HD LYS 133 -1.548 14.260 18.110 977 HD3 LYS 133 2HD LYS 133 -1.605 13.618 16.467 978 HE2 LYS 133 1HE LYS 133 -2.810 15.671 16.471 979 HE3 LYS 133 2HE LYS 133 -3.992 14.369 16.354 980 HZ1 LYS 133 1HZ LYS 133 -3.868 16.402 18.254 981 HZ2 LYS 133 2HZ LYS 133 -3.539 14.955 19.064 982 HZ3 LYS 133 3HZ LYS 133 -4.969 15.120 18.175 983 H VAL 134 H VAL 134 -2.687 10.095 13.844 984 HA VAL 134 HA VAL 134 -4.457 7.985 14.188 985 HB VAL 134 HB VAL 134 -2.565 8.529 11.900 986 HG11 VAL 134 1HG1 VAL 134 -3.275 6.156 11.986 987 HG12 VAL 134 2HG1 VAL 134 -4.956 6.691 11.922 988 HG13 VAL 134 3HG1 VAL 134 -3.874 7.012 10.566 989 HG21 VAL 134 1HG2 VAL 134 -4.199 10.293 12.321 990 HG22 VAL 134 2HG2 VAL 134 -4.553 9.452 10.812 991 HG23 VAL 134 3HG2 VAL 134 -5.505 9.109 12.256 992 H PHE 135 H PHE 135 -0.992 8.036 14.375 993 HA PHE 135 HA PHE 135 -0.660 5.193 14.120 994 HB2 PHE 135 1HB PHE 135 1.244 7.319 15.125 995 HB3 PHE 135 2HB PHE 135 1.678 5.644 14.796 996 HD1 PHE 135 1HD PHE 135 0.094 5.258 12.277 997 HD2 PHE 135 2HD PHE 135 2.594 8.447 13.580 998 HE1 PHE 135 1HE PHE 135 0.567 5.841 9.933 999 HE2 PHE 135 2HE PHE 135 3.070 9.035 11.239 1000 HZ PHE 135 HZ PHE 135 2.055 7.733 9.412 1001 H GLN 136 H GLN 136 -0.467 7.512 16.812 1002 HA GLN 136 HA GLN 136 0.022 5.630 18.834 1003 HB2 GLN 136 1HB GLN 136 -1.323 8.333 18.975 1004 HB3 GLN 136 2HB GLN 136 -0.821 7.401 20.379 1005 HG2 GLN 136 1HG GLN 136 1.434 7.704 19.936 1006 HG3 GLN 136 2HG GLN 136 1.146 8.116 18.246 1007 HE21 GLN 136 1HE2 GLN 136 1.327 10.175 17.762 1008 HE22 GLN 136 2HE2 GLN 136 1.125 11.503 18.849 1009 H GLU 137 H GLU 137 -2.996 6.911 17.514 1010 HA GLU 137 HA GLU 137 -4.719 5.677 19.381 1011 HB2 GLU 137 1HB GLU 137 -6.482 6.074 17.658 1012 HB3 GLU 137 2HB GLU 137 -5.537 7.502 18.055 1013 HG2 GLU 137 1HG GLU 137 -5.558 7.686 15.797 1014 HG3 GLU 137 2HG GLU 137 -4.108 6.703 15.989 1015 H ALA 138 H ALA 138 -3.315 4.610 16.344 1016 HA ALA 138 HA ALA 138 -4.897 2.258 16.081 1017 HB1 ALA 138 1HB ALA 138 -2.845 3.575 14.598 1018 HB2 ALA 138 2HB ALA 138 -2.431 1.869 14.768 1019 HB3 ALA 138 3HB ALA 138 -3.979 2.334 14.064 1020 H LEU 139 H LEU 139 -1.706 2.933 17.457 1021 HA LEU 139 HA LEU 139 -0.896 0.318 17.969 1022 HB2 LEU 139 1HB LEU 139 0.304 2.632 18.262 1023 HB3 LEU 139 2HB LEU 139 -0.284 2.493 19.917 1024 HG LEU 139 HG LEU 139 2.063 1.740 19.604 1025 HD11 LEU 139 1HD1 LEU 139 1.858 -0.225 20.958 1026 HD12 LEU 139 2HD1 LEU 139 0.197 -0.479 20.424 1027 HD13 LEU 139 3HD1 LEU 139 0.596 0.912 21.432 1028 HD21 LEU 139 1HD2 LEU 139 1.352 0.672 17.301 1029 HD22 LEU 139 2HD2 LEU 139 1.070 -0.748 18.308 1030 HD23 LEU 139 3HD2 LEU 139 2.670 -0.005 18.258 1031 H ARG 140 H ARG 140 -2.634 2.575 20.107 1032 HA ARG 140 HA ARG 140 -2.965 0.691 22.206 1033 HB2 ARG 140 1HB ARG 140 -4.319 3.309 21.571 1034 HB3 ARG 140 2HB ARG 140 -4.729 2.353 22.989 1035 HG2 ARG 140 1HG ARG 140 -2.001 3.462 22.361 1036 HG3 ARG 140 2HG ARG 140 -3.153 4.148 23.508 1037 HD2 ARG 140 1HD ARG 140 -3.094 1.969 24.737 1038 HD3 ARG 140 2HD ARG 140 -1.786 1.468 23.666 1039 HE ARG 140 HE ARG 140 -1.068 3.914 24.785 1040 HH11 ARG 140 2HH1 ARG 140 -1.679 0.645 25.814 1041 HH12 ARG 140 1HH1 ARG 140 -0.593 0.727 27.161 1042 HH21 ARG 140 2HH2 ARG 140 0.364 4.035 26.556 1043 HH22 ARG 140 1HH2 ARG 140 0.568 2.656 27.583 1044 H ASN 141 H ASN 141 -4.574 1.193 19.232 1045 HA ASN 141 HA ASN 141 -7.120 0.130 19.976 1046 HB2 ASN 141 1HB ASN 141 -5.769 0.872 17.424 1047 HB3 ASN 141 2HB ASN 141 -7.150 -0.218 17.335 1048 HD21 ASN 141 1HD2 ASN 141 -7.162 2.289 16.179 1049 HD22 ASN 141 2HD2 ASN 141 -8.300 3.289 17.010 1050 H ILE 142 H ILE 142 -4.073 -1.236 19.221 1051 HA ILE 142 HA ILE 142 -5.308 -3.895 18.916 1052 HB ILE 142 HB ILE 142 -3.458 -4.628 17.642 1053 HG12 ILE 142 1HG1 ILE 142 -2.096 -1.987 18.213 1054 HG13 ILE 142 2HG1 ILE 142 -1.726 -3.497 19.038 1055 HG21 ILE 142 1HG2 ILE 142 -5.102 -2.642 16.765 1056 HG22 ILE 142 2HG2 ILE 142 -3.511 -1.981 16.392 1057 HG23 ILE 142 3HG2 ILE 142 -3.986 -3.552 15.747 1058 HD11 ILE 142 1HD1 ILE 142 -0.877 -4.468 17.053 1059 HD12 ILE 142 2HD1 ILE 142 -1.490 -3.141 16.066 1060 HD13 ILE 142 3HD1 ILE 142 -0.164 -2.862 17.194 1061 H SER 143 H SER 143 -3.072 -1.938 20.699 1062 HA SER 143 HA SER 143 -1.720 -4.061 22.036 1063 HB2 SER 143 1HB SER 143 -0.812 -1.744 21.812 1064 HB3 SER 143 2HB SER 143 -2.047 -1.191 22.943 1065 HG SER 143 HG SER 143 -0.207 -1.601 24.114 1066 H GLY 144 H GLY 144 -4.597 -2.151 22.703 1067 HA2 GLY 144 1HA GLY 144 -6.382 -3.254 23.952 1068 HA3 GLY 144 2HA GLY 144 -5.141 -3.939 24.990 1069 HA PRO 145 HA PRO 145 -6.936 -0.131 27.000 1070 HB2 PRO 145 1HB PRO 145 -7.523 -1.337 29.361 1071 HB3 PRO 145 2HB PRO 145 -8.642 -1.306 27.993 1072 HG2 PRO 145 1HG PRO 145 -6.796 -3.489 28.882 1073 HG3 PRO 145 2HG PRO 145 -8.478 -3.601 28.332 1074 HD2 PRO 145 1HD PRO 145 -6.378 -4.182 26.724 1075 HD3 PRO 145 2HD PRO 145 -7.890 -3.486 26.106 1076 H SER 146 H SER 146 -5.911 1.151 28.524 1077 HA SER 146 HA SER 146 -3.246 1.112 28.860 1078 HB2 SER 146 1HB SER 146 -4.434 3.022 29.630 1079 HB3 SER 146 2HB SER 146 -5.353 2.072 30.797 1080 HG SER 146 HG SER 146 -2.744 3.036 30.938 1081 H SER 147 H SER 147 -1.787 -0.166 29.772 1082 HA SER 147 HA SER 147 -2.491 -2.508 31.179 1083 HB2 SER 147 1HB SER 147 -0.117 -2.888 31.413 1084 HB3 SER 147 2HB SER 147 -0.413 -2.215 29.811 1085 HG SER 147 HG SER 147 0.197 -0.165 30.674 1086 H GLY 148 H GLY 148 -1.303 0.646 32.234 1087 HA2 GLY 148 1HA GLY 148 -2.020 -0.115 34.991 1088 HA3 GLY 148 2HA GLY 148 -0.495 0.693 34.658 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -3.187 -11.217 -64.226 2 HA2 GLY 1 1HA GLY 1 -0.519 -11.199 -63.417 3 HA3 GLY 1 2HA GLY 1 -1.067 -11.004 -65.076 4 H SER 2 H SER 2 -0.028 -9.379 -62.179 5 HA SER 2 HA SER 2 0.650 -7.033 -63.752 6 HB2 SER 2 1HB SER 2 -1.738 -6.840 -62.662 7 HB3 SER 2 2HB SER 2 -0.819 -6.513 -61.193 8 HG SER 2 HG SER 2 -0.803 -4.550 -61.959 9 H SER 3 H SER 3 2.297 -5.783 -62.852 10 HA SER 3 HA SER 3 3.706 -7.083 -60.625 11 HB2 SER 3 1HB SER 3 4.897 -6.895 -62.817 12 HB3 SER 3 2HB SER 3 4.821 -5.140 -62.661 13 HG SER 3 HG SER 3 5.891 -6.635 -60.549 14 H GLY 4 H GLY 4 4.485 -5.898 -58.886 15 HA2 GLY 4 1HA GLY 4 4.385 -3.090 -58.667 16 HA3 GLY 4 2HA GLY 4 2.914 -3.765 -57.983 17 H SER 5 H SER 5 4.476 -2.350 -56.331 18 HA SER 5 HA SER 5 5.271 -4.339 -54.396 19 HB2 SER 5 1HB SER 5 7.287 -2.412 -55.564 20 HB3 SER 5 2HB SER 5 7.532 -3.277 -54.047 21 HG SER 5 HG SER 5 8.405 -4.639 -55.453 22 H SER 6 H SER 6 6.147 -3.152 -52.359 23 HA SER 6 HA SER 6 5.094 -0.473 -52.014 24 HB2 SER 6 1HB SER 6 3.779 -2.901 -50.899 25 HB3 SER 6 2HB SER 6 3.891 -1.486 -49.852 26 HG SER 6 HG SER 6 2.051 -1.861 -51.559 27 H GLY 7 H GLY 7 5.296 0.063 -49.502 28 HA2 GLY 7 1HA GLY 7 7.741 -1.174 -48.439 29 HA3 GLY 7 2HA GLY 7 7.706 0.565 -48.687 30 H MET 8 H MET 8 8.128 0.764 -46.408 31 HA MET 8 HA MET 8 5.780 1.221 -44.901 32 HB2 MET 8 1HB MET 8 6.182 -0.422 -43.091 33 HB3 MET 8 2HB MET 8 5.746 -1.182 -44.615 34 HG2 MET 8 1HG MET 8 8.607 -0.852 -43.798 35 HG3 MET 8 2HG MET 8 7.637 -2.213 -43.239 36 HE1 MET 8 1HE MET 8 6.844 -4.136 -44.612 37 HE2 MET 8 2HE MET 8 5.843 -3.116 -45.645 38 HE3 MET 8 3HE MET 8 6.952 -4.283 -46.367 39 H THR 9 H THR 9 6.243 2.093 -42.759 40 HA THR 9 HA THR 9 9.029 2.717 -42.184 41 HB THR 9 HB THR 9 8.479 5.158 -41.911 42 HG1 THR 9 1HG THR 9 6.494 5.764 -42.284 43 HG21 THR 9 1HG2 THR 9 8.073 4.403 -44.778 44 HG22 THR 9 2HG2 THR 9 9.582 3.986 -43.965 45 HG23 THR 9 3HG2 THR 9 9.083 5.672 -44.086 46 H VAL 10 H VAL 10 9.406 3.361 -40.044 47 HA VAL 10 HA VAL 10 7.134 3.550 -38.228 48 HB VAL 10 HB VAL 10 9.282 1.449 -37.910 49 HG11 VAL 10 1HG1 VAL 10 8.664 2.575 -35.787 50 HG12 VAL 10 2HG1 VAL 10 6.989 2.087 -36.058 51 HG13 VAL 10 3HG1 VAL 10 8.239 0.864 -35.823 52 HG21 VAL 10 1HG2 VAL 10 7.512 0.848 -39.497 53 HG22 VAL 10 2HG2 VAL 10 7.447 -0.146 -38.041 54 HG23 VAL 10 3HG2 VAL 10 6.298 1.174 -38.260 55 H SER 11 H SER 11 7.616 4.538 -36.249 56 HA SER 11 HA SER 11 10.220 5.168 -35.369 57 HB2 SER 11 1HB SER 11 9.991 6.628 -37.462 58 HB3 SER 11 2HB SER 11 8.802 7.557 -36.547 59 HG SER 11 HG SER 11 10.685 8.559 -36.129 60 H GLY 12 H GLY 12 10.101 7.077 -33.716 61 HA2 GLY 12 1HA GLY 12 7.852 8.054 -32.540 62 HA3 GLY 12 2HA GLY 12 7.956 6.416 -31.910 63 HA PRO 13 HA PRO 13 11.941 8.655 -30.342 64 HB2 PRO 13 1HB PRO 13 12.133 11.316 -30.842 65 HB3 PRO 13 2HB PRO 13 12.764 10.084 -31.941 66 HG2 PRO 13 1HG PRO 13 10.194 11.613 -32.083 67 HG3 PRO 13 2HG PRO 13 11.336 11.221 -33.382 68 HD2 PRO 13 1HD PRO 13 9.044 9.834 -32.990 69 HD3 PRO 13 2HD PRO 13 10.520 9.079 -33.624 70 H GLY 14 H GLY 14 12.356 10.594 -28.722 71 HA2 GLY 14 1HA GLY 14 9.838 10.969 -27.222 72 HA3 GLY 14 2HA GLY 14 11.408 10.746 -26.465 73 H THR 15 H THR 15 9.244 12.956 -26.581 74 HA THR 15 HA THR 15 11.156 15.140 -26.556 75 HB THR 15 HB THR 15 8.794 15.120 -28.439 76 HG1 THR 15 1HG THR 15 11.267 14.449 -28.820 77 HG21 THR 15 1HG2 THR 15 9.753 17.298 -26.956 78 HG22 THR 15 2HG2 THR 15 8.679 17.346 -28.354 79 HG23 THR 15 3HG2 THR 15 10.422 17.492 -28.576 80 HA PRO 16 HA PRO 16 8.544 16.154 -23.124 81 HB2 PRO 16 1HB PRO 16 9.681 18.548 -22.538 82 HB3 PRO 16 2HB PRO 16 10.440 17.002 -22.142 83 HG2 PRO 16 1HG PRO 16 10.972 18.837 -24.446 84 HG3 PRO 16 2HG PRO 16 12.126 17.964 -23.421 85 HD2 PRO 16 1HD PRO 16 11.421 17.096 -25.887 86 HD3 PRO 16 2HD PRO 16 11.839 15.985 -24.567 87 H GLU 17 H GLU 17 6.513 16.536 -23.935 88 HA GLU 17 HA GLU 17 5.959 19.306 -24.742 89 HB2 GLU 17 1HB GLU 17 5.013 16.787 -26.100 90 HB3 GLU 17 2HB GLU 17 4.189 18.327 -26.300 91 HG2 GLU 17 1HG GLU 17 7.119 18.070 -26.844 92 HG3 GLU 17 2HG GLU 17 5.922 17.609 -28.053 93 HA PRO 18 HA PRO 18 2.736 19.192 -21.764 94 HB2 PRO 18 1HB PRO 18 0.953 20.914 -22.871 95 HB3 PRO 18 2HB PRO 18 2.475 21.443 -22.145 96 HG2 PRO 18 1HG PRO 18 1.802 21.010 -25.030 97 HG3 PRO 18 2HG PRO 18 2.713 22.334 -24.280 98 HD2 PRO 18 1HD PRO 18 3.922 20.263 -25.538 99 HD3 PRO 18 2HD PRO 18 4.651 21.093 -24.149 100 H ARG 19 H ARG 19 0.098 19.308 -21.905 101 HA ARG 19 HA ARG 19 -0.611 16.864 -23.347 102 HB2 ARG 19 1HB ARG 19 -2.728 17.084 -21.900 103 HB3 ARG 19 2HB ARG 19 -1.220 16.665 -21.097 104 HG2 ARG 19 1HG ARG 19 -1.953 19.536 -21.274 105 HG3 ARG 19 2HG ARG 19 -2.843 18.512 -20.145 106 HD2 ARG 19 1HD ARG 19 0.124 18.332 -20.165 107 HD3 ARG 19 2HD ARG 19 -0.615 19.764 -19.448 108 HE ARG 19 HE ARG 19 -1.914 17.552 -18.385 109 HH11 ARG 19 2HH1 ARG 19 1.284 18.928 -18.399 110 HH12 ARG 19 1HH1 ARG 19 1.704 18.297 -16.841 111 HH21 ARG 19 2HH2 ARG 19 -1.373 16.716 -16.333 112 HH22 ARG 19 1HH2 ARG 19 0.192 17.038 -15.667 113 HA PRO 20 HA PRO 20 -2.694 19.344 -26.398 114 HB2 PRO 20 1HB PRO 20 -3.725 17.261 -27.802 115 HB3 PRO 20 2HB PRO 20 -2.030 17.751 -27.916 116 HG2 PRO 20 1HG PRO 20 -3.259 15.534 -26.323 117 HG3 PRO 20 2HG PRO 20 -1.769 15.528 -27.284 118 HD2 PRO 20 1HD PRO 20 -1.763 15.786 -24.588 119 HD3 PRO 20 2HD PRO 20 -0.546 16.558 -25.624 120 H ALA 21 H ALA 21 -5.036 18.621 -27.588 121 HA ALA 21 HA ALA 21 -6.932 18.954 -25.397 122 HB1 ALA 21 1HB ALA 21 -6.821 20.398 -27.540 123 HB2 ALA 21 2HB ALA 21 -7.673 19.050 -28.295 124 HB3 ALA 21 3HB ALA 21 -8.397 19.896 -26.927 125 H THR 22 H THR 22 -5.887 16.398 -25.502 126 HA THR 22 HA THR 22 -8.260 14.835 -25.693 127 HB THR 22 HB THR 22 -6.198 14.557 -27.858 128 HG1 THR 22 1HG THR 22 -8.175 14.323 -29.085 129 HG21 THR 22 1HG2 THR 22 -7.414 12.340 -28.352 130 HG22 THR 22 2HG2 THR 22 -7.901 12.395 -26.657 131 HG23 THR 22 3HG2 THR 22 -6.190 12.351 -27.082 132 HA PRO 23 HA PRO 23 -5.840 12.782 -22.601 133 HB2 PRO 23 1HB PRO 23 -7.597 10.778 -22.086 134 HB3 PRO 23 2HB PRO 23 -7.830 12.432 -21.508 135 HG2 PRO 23 1HG PRO 23 -9.042 11.065 -23.880 136 HG3 PRO 23 2HG PRO 23 -9.810 12.132 -22.690 137 HD2 PRO 23 1HD PRO 23 -9.048 12.993 -25.142 138 HD3 PRO 23 2HD PRO 23 -9.025 14.043 -23.711 139 H GLY 24 H GLY 24 -4.067 11.801 -23.431 140 HA2 GLY 24 1HA GLY 24 -4.330 9.049 -24.290 141 HA3 GLY 24 2HA GLY 24 -3.734 10.142 -25.531 142 H ALA 25 H ALA 25 -3.061 10.255 -22.062 143 HA ALA 25 HA ALA 25 -0.271 9.517 -22.633 144 HB1 ALA 25 1HB ALA 25 0.536 11.473 -21.949 145 HB2 ALA 25 2HB ALA 25 -1.117 12.088 -22.001 146 HB3 ALA 25 3HB ALA 25 -0.461 11.450 -20.494 147 H SER 26 H SER 26 -0.247 7.539 -21.697 148 HA SER 26 HA SER 26 -1.374 7.211 -19.019 149 HB2 SER 26 1HB SER 26 -0.614 5.357 -21.227 150 HB3 SER 26 2HB SER 26 -0.535 4.744 -19.575 151 HG SER 26 HG SER 26 -2.680 5.071 -21.113 152 H SER 27 H SER 27 0.838 8.841 -19.055 153 HA SER 27 HA SER 27 3.250 7.393 -18.544 154 HB2 SER 27 1HB SER 27 3.764 9.529 -19.224 155 HB3 SER 27 2HB SER 27 2.385 10.243 -18.387 156 HG SER 27 HG SER 27 4.813 10.318 -17.572 157 H VAL 28 H VAL 28 4.116 6.723 -16.651 158 HA VAL 28 HA VAL 28 2.685 5.900 -14.528 159 HB VAL 28 HB VAL 28 5.002 5.308 -14.694 160 HG11 VAL 28 1HG1 VAL 28 5.472 7.887 -15.361 161 HG12 VAL 28 2HG1 VAL 28 6.078 7.859 -13.703 162 HG13 VAL 28 3HG1 VAL 28 6.728 6.738 -14.900 163 HG21 VAL 28 1HG2 VAL 28 4.828 4.921 -12.509 164 HG22 VAL 28 2HG2 VAL 28 5.616 6.476 -12.241 165 HG23 VAL 28 3HG2 VAL 28 3.855 6.372 -12.265 166 H GLU 29 H GLU 29 3.986 9.154 -14.960 167 HA GLU 29 HA GLU 29 3.191 10.095 -12.388 168 HB2 GLU 29 1HB GLU 29 4.957 11.050 -14.066 169 HB3 GLU 29 2HB GLU 29 3.580 11.913 -14.737 170 HG2 GLU 29 1HG GLU 29 3.223 13.111 -12.751 171 HG3 GLU 29 2HG GLU 29 4.263 12.034 -11.820 172 H GLN 30 H GLN 30 1.873 10.577 -15.661 173 HA GLN 30 HA GLN 30 -0.389 12.048 -14.815 174 HB2 GLN 30 1HB GLN 30 0.285 12.255 -17.088 175 HB3 GLN 30 2HB GLN 30 0.221 10.516 -17.339 176 HG2 GLN 30 1HG GLN 30 -1.676 11.360 -18.408 177 HG3 GLN 30 2HG GLN 30 -2.267 10.690 -16.889 178 HE21 GLN 30 1HE2 GLN 30 -0.940 13.758 -18.090 179 HE22 GLN 30 2HE2 GLN 30 -2.108 14.764 -17.309 180 H LEU 31 H LEU 31 -0.425 8.800 -16.283 181 HA LEU 31 HA LEU 31 -2.923 7.990 -15.699 182 HB2 LEU 31 1HB LEU 31 -2.235 5.820 -15.993 183 HB3 LEU 31 2HB LEU 31 -0.917 6.716 -16.746 184 HG LEU 31 HG LEU 31 0.164 6.467 -14.351 185 HD11 LEU 31 1HD1 LEU 31 -2.162 5.108 -13.896 186 HD12 LEU 31 2HD1 LEU 31 -0.672 4.921 -12.971 187 HD13 LEU 31 3HD1 LEU 31 -1.038 3.806 -14.288 188 HD21 LEU 31 1HD2 LEU 31 1.323 4.496 -15.144 189 HD22 LEU 31 2HD2 LEU 31 1.065 5.618 -16.480 190 HD23 LEU 31 3HD2 LEU 31 0.046 4.186 -16.321 191 H ARG 32 H ARG 32 -0.269 8.225 -13.412 192 HA ARG 32 HA ARG 32 -0.976 6.839 -11.245 193 HB2 ARG 32 1HB ARG 32 0.761 8.806 -11.578 194 HB3 ARG 32 2HB ARG 32 -0.482 9.743 -10.760 195 HG2 ARG 32 1HG ARG 32 -0.264 8.559 -8.787 196 HG3 ARG 32 2HG ARG 32 0.471 7.167 -9.587 197 HD2 ARG 32 1HD ARG 32 2.326 8.081 -8.619 198 HD3 ARG 32 2HD ARG 32 2.346 8.931 -10.163 199 HE ARG 32 HE ARG 32 2.046 10.870 -9.012 200 HH11 ARG 32 2HH1 ARG 32 0.877 8.240 -7.053 201 HH12 ARG 32 1HH1 ARG 32 0.512 9.245 -5.690 202 HH21 ARG 32 2HH2 ARG 32 1.569 12.204 -7.224 203 HH22 ARG 32 1HH2 ARG 32 0.905 11.500 -5.788 204 H LYS 33 H LYS 33 -2.465 9.962 -12.086 205 HA LYS 33 HA LYS 33 -4.227 10.259 -10.012 206 HB2 LYS 33 1HB LYS 33 -4.624 10.880 -12.940 207 HB3 LYS 33 2HB LYS 33 -5.727 11.414 -11.679 208 HG2 LYS 33 1HG LYS 33 -2.797 12.084 -11.682 209 HG3 LYS 33 2HG LYS 33 -4.025 13.099 -12.444 210 HD2 LYS 33 1HD LYS 33 -4.933 13.739 -10.440 211 HD3 LYS 33 2HD LYS 33 -4.446 12.253 -9.621 212 HE2 LYS 33 1HE LYS 33 -2.078 13.053 -9.771 213 HE3 LYS 33 2HE LYS 33 -2.697 14.589 -10.376 214 HZ1 LYS 33 1HZ LYS 33 -3.972 14.815 -8.313 215 HZ2 LYS 33 2HZ LYS 33 -2.309 14.724 -8.018 216 HZ3 LYS 33 3HZ LYS 33 -3.294 13.378 -7.731 217 H GLU 34 H GLU 34 -4.783 8.416 -13.004 218 HA GLU 34 HA GLU 34 -7.353 7.594 -12.696 219 HB2 GLU 34 1HB GLU 34 -6.114 6.922 -14.629 220 HB3 GLU 34 2HB GLU 34 -4.974 6.005 -13.653 221 HG2 GLU 34 1HG GLU 34 -6.387 4.241 -13.400 222 HG3 GLU 34 2HG GLU 34 -7.835 5.239 -13.523 223 H GLY 35 H GLY 35 -4.510 6.169 -11.120 224 HA2 GLY 35 1HA GLY 35 -5.795 4.046 -9.831 225 HA3 GLY 35 2HA GLY 35 -4.319 4.820 -9.275 226 H ASN 36 H ASN 36 -4.802 7.111 -8.297 227 HA ASN 36 HA ASN 36 -6.209 6.722 -5.924 228 HB2 ASN 36 1HB ASN 36 -5.494 9.338 -7.269 229 HB3 ASN 36 2HB ASN 36 -5.958 9.152 -5.580 230 HD21 ASN 36 1HD2 ASN 36 -3.444 8.928 -7.878 231 HD22 ASN 36 2HD2 ASN 36 -2.188 8.445 -6.796 232 H GLU 37 H GLU 37 -7.145 8.765 -8.697 233 HA GLU 37 HA GLU 37 -9.598 9.625 -7.892 234 HB2 GLU 37 1HB GLU 37 -8.695 8.734 -10.628 235 HB3 GLU 37 2HB GLU 37 -10.259 9.485 -10.348 236 HG2 GLU 37 1HG GLU 37 -9.125 11.468 -9.443 237 HG3 GLU 37 2HG GLU 37 -7.570 10.717 -9.794 238 H LEU 38 H LEU 38 -8.766 6.426 -9.086 239 HA LEU 38 HA LEU 38 -11.466 5.493 -9.233 240 HB2 LEU 38 1HB LEU 38 -8.780 4.162 -9.311 241 HB3 LEU 38 2HB LEU 38 -10.267 3.217 -9.263 242 HG LEU 38 HG LEU 38 -9.677 5.253 -11.403 243 HD11 LEU 38 1HD1 LEU 38 -9.051 3.375 -12.829 244 HD12 LEU 38 2HD1 LEU 38 -9.201 2.276 -11.458 245 HD13 LEU 38 3HD1 LEU 38 -7.957 3.526 -11.454 246 HD21 LEU 38 1HD2 LEU 38 -11.612 4.621 -12.369 247 HD22 LEU 38 2HD2 LEU 38 -12.042 4.154 -10.723 248 HD23 LEU 38 3HD2 LEU 38 -11.445 2.941 -11.858 249 H PHE 39 H PHE 39 -8.971 5.543 -6.786 250 HA PHE 39 HA PHE 39 -10.214 3.677 -5.028 251 HB2 PHE 39 1HB PHE 39 -7.754 4.445 -5.063 252 HB3 PHE 39 2HB PHE 39 -8.317 5.845 -4.155 253 HD1 PHE 39 1HD PHE 39 -8.450 2.123 -4.092 254 HD2 PHE 39 2HD PHE 39 -8.360 5.743 -1.855 255 HE1 PHE 39 1HE PHE 39 -8.289 0.826 -2.007 256 HE2 PHE 39 2HE PHE 39 -8.198 4.452 0.233 257 HZ PHE 39 HZ PHE 39 -8.162 1.991 0.159 258 H LYS 40 H LYS 40 -10.037 7.229 -5.078 259 HA LYS 40 HA LYS 40 -11.635 7.661 -2.806 260 HB2 LYS 40 1HB LYS 40 -11.943 9.957 -3.744 261 HB3 LYS 40 2HB LYS 40 -10.264 9.442 -3.649 262 HG2 LYS 40 1HG LYS 40 -10.524 8.754 -6.096 263 HG3 LYS 40 2HG LYS 40 -12.004 9.716 -6.074 264 HD2 LYS 40 1HD LYS 40 -10.328 11.172 -6.857 265 HD3 LYS 40 2HD LYS 40 -10.570 11.613 -5.166 266 HE2 LYS 40 1HE LYS 40 -8.480 9.606 -5.891 267 HE3 LYS 40 2HE LYS 40 -8.156 11.324 -6.121 268 HZ1 LYS 40 1HZ LYS 40 -8.205 9.799 -3.709 269 HZ2 LYS 40 2HZ LYS 40 -9.211 11.155 -3.606 270 HZ3 LYS 40 3HZ LYS 40 -7.574 11.343 -3.991 271 H CYS 41 H CYS 41 -12.476 6.339 -5.743 272 HA CYS 41 HA CYS 41 -15.263 7.255 -5.540 273 HB2 CYS 41 1HB CYS 41 -14.035 7.553 -7.726 274 HB3 CYS 41 2HB CYS 41 -13.988 5.799 -7.859 275 HG CYS 41 HG CYS 41 -17.039 7.116 -7.352 276 H GLY 42 H GLY 42 -13.199 4.590 -5.028 277 HA2 GLY 42 1HA GLY 42 -14.130 2.783 -3.663 278 HA3 GLY 42 2HA GLY 42 -15.559 2.846 -4.685 279 H ASP 43 H ASP 43 -14.145 3.061 -7.175 280 HA ASP 43 HA ASP 43 -13.921 0.406 -7.901 281 HB2 ASP 43 1HB ASP 43 -12.443 2.709 -9.190 282 HB3 ASP 43 2HB ASP 43 -12.870 1.177 -9.947 283 H TYR 44 H TYR 44 -12.684 -0.800 -6.483 284 HA TYR 44 HA TYR 44 -9.941 -0.085 -5.937 285 HB2 TYR 44 1HB TYR 44 -11.370 -2.669 -5.288 286 HB3 TYR 44 2HB TYR 44 -9.881 -2.071 -4.564 287 HD1 TYR 44 1HD TYR 44 -10.236 0.490 -3.629 288 HD2 TYR 44 2HD TYR 44 -13.218 -2.530 -3.930 289 HE1 TYR 44 1HE TYR 44 -11.538 1.608 -1.867 290 HE2 TYR 44 2HE TYR 44 -14.528 -1.420 -2.169 291 HH TYR 44 HH TYR 44 -13.537 1.688 -0.824 292 H GLY 45 H GLY 45 -11.567 -2.799 -7.587 293 HA2 GLY 45 1HA GLY 45 -9.392 -4.199 -8.497 294 HA3 GLY 45 2HA GLY 45 -10.895 -4.055 -9.395 295 H GLY 46 H GLY 46 -10.528 -1.101 -9.619 296 HA2 GLY 46 1HA GLY 46 -8.776 -1.204 -11.959 297 HA3 GLY 46 2HA GLY 46 -9.938 0.061 -11.587 298 H ALA 47 H ALA 47 -9.308 1.014 -9.215 299 HA ALA 47 HA ALA 47 -7.322 2.799 -9.506 300 HB1 ALA 47 1HB ALA 47 -7.924 1.410 -6.898 301 HB2 ALA 47 2HB ALA 47 -7.192 3.003 -7.096 302 HB3 ALA 47 3HB ALA 47 -8.864 2.733 -7.588 303 H LEU 48 H LEU 48 -6.901 -0.532 -8.414 304 HA LEU 48 HA LEU 48 -4.145 -0.309 -7.791 305 HB2 LEU 48 1HB LEU 48 -5.565 -2.100 -6.925 306 HB3 LEU 48 2HB LEU 48 -5.765 -2.734 -8.557 307 HG LEU 48 HG LEU 48 -4.143 -3.960 -7.045 308 HD11 LEU 48 1HD1 LEU 48 -2.778 -2.967 -9.514 309 HD12 LEU 48 2HD1 LEU 48 -4.252 -3.927 -9.629 310 HD13 LEU 48 3HD1 LEU 48 -2.824 -4.595 -8.838 311 HD21 LEU 48 1HD2 LEU 48 -3.166 -1.564 -6.404 312 HD22 LEU 48 2HD2 LEU 48 -2.087 -1.945 -7.746 313 HD23 LEU 48 3HD2 LEU 48 -2.189 -3.032 -6.360 314 H ALA 49 H ALA 49 -5.857 -1.553 -10.651 315 HA ALA 49 HA ALA 49 -3.811 -2.430 -12.208 316 HB1 ALA 49 1HB ALA 49 -6.282 -0.900 -12.965 317 HB2 ALA 49 2HB ALA 49 -5.160 -1.526 -14.174 318 HB3 ALA 49 3HB ALA 49 -5.981 -2.635 -13.076 319 H ALA 50 H ALA 50 -4.859 0.954 -11.898 320 HA ALA 50 HA ALA 50 -3.109 2.124 -13.699 321 HB1 ALA 50 1HB ALA 50 -4.443 3.776 -13.005 322 HB2 ALA 50 2HB ALA 50 -4.711 3.021 -11.433 323 HB3 ALA 50 3HB ALA 50 -3.270 3.999 -11.706 324 H TYR 51 H TYR 51 -2.611 1.561 -10.217 325 HA TYR 51 HA TYR 51 -0.068 2.642 -9.986 326 HB2 TYR 51 1HB TYR 51 -1.302 0.301 -8.524 327 HB3 TYR 51 2HB TYR 51 0.205 1.075 -8.048 328 HD1 TYR 51 1HD TYR 51 -0.479 3.928 -8.501 329 HD2 TYR 51 2HD TYR 51 -2.749 0.783 -6.752 330 HE1 TYR 51 1HE TYR 51 -1.739 5.579 -7.183 331 HE2 TYR 51 2HE TYR 51 -4.016 2.425 -5.430 332 HH TYR 51 HH TYR 51 -4.431 5.308 -5.986 333 H THR 52 H THR 52 -1.073 -0.525 -11.135 334 HA THR 52 HA THR 52 1.388 -1.830 -11.155 335 HB THR 52 HB THR 52 -0.807 -2.150 -13.210 336 HG1 THR 52 1HG THR 52 -1.891 -2.726 -11.470 337 HG21 THR 52 1HG2 THR 52 1.258 -3.268 -13.843 338 HG22 THR 52 2HG2 THR 52 0.049 -4.459 -13.365 339 HG23 THR 52 3HG2 THR 52 1.354 -4.034 -12.258 340 H GLN 53 H GLN 53 -0.185 -0.242 -13.941 341 HA GLN 53 HA GLN 53 1.887 -0.402 -15.738 342 HB2 GLN 53 1HB GLN 53 0.242 2.100 -15.583 343 HB3 GLN 53 2HB GLN 53 0.794 1.224 -17.004 344 HG2 GLN 53 1HG GLN 53 -0.767 -0.659 -16.029 345 HG3 GLN 53 2HG GLN 53 -1.546 0.718 -15.250 346 HE21 GLN 53 1HE2 GLN 53 -2.449 2.357 -16.564 347 HE22 GLN 53 2HE2 GLN 53 -2.915 2.031 -18.195 348 H ALA 54 H ALA 54 1.219 2.371 -13.594 349 HA ALA 54 HA ALA 54 3.326 3.993 -14.183 350 HB1 ALA 54 1HB ALA 54 3.162 4.099 -11.392 351 HB2 ALA 54 2HB ALA 54 2.315 5.118 -12.557 352 HB3 ALA 54 3HB ALA 54 1.550 3.649 -11.949 353 H LEU 55 H LEU 55 3.390 1.449 -11.680 354 HA LEU 55 HA LEU 55 6.078 1.690 -10.999 355 HB2 LEU 55 1HB LEU 55 4.116 -0.565 -10.867 356 HB3 LEU 55 2HB LEU 55 5.799 -0.821 -10.410 357 HG LEU 55 HG LEU 55 4.057 1.281 -9.139 358 HD11 LEU 55 1HD1 LEU 55 3.940 -0.369 -7.233 359 HD12 LEU 55 2HD1 LEU 55 4.479 -1.597 -8.377 360 HD13 LEU 55 3HD1 LEU 55 2.956 -0.750 -8.646 361 HD21 LEU 55 1HD2 LEU 55 5.751 1.121 -7.350 362 HD22 LEU 55 2HD2 LEU 55 6.429 1.659 -8.887 363 HD23 LEU 55 3HD2 LEU 55 6.669 -0.005 -8.350 364 H GLY 56 H GLY 56 4.535 -0.124 -13.595 365 HA2 GLY 56 1HA GLY 56 6.666 -1.718 -14.407 366 HA3 GLY 56 2HA GLY 56 5.407 -1.113 -15.473 367 H LEU 57 H LEU 57 5.874 1.597 -15.415 368 HA LEU 57 HA LEU 57 8.027 1.836 -17.236 369 HB2 LEU 57 1HB LEU 57 6.534 4.002 -15.764 370 HB3 LEU 57 2HB LEU 57 7.555 4.230 -17.183 371 HG LEU 57 HG LEU 57 4.974 2.666 -17.121 372 HD11 LEU 57 1HD1 LEU 57 3.935 4.607 -17.360 373 HD12 LEU 57 2HD1 LEU 57 4.847 4.894 -18.842 374 HD13 LEU 57 3HD1 LEU 57 5.471 5.471 -17.297 375 HD21 LEU 57 1HD2 LEU 57 6.861 3.385 -19.358 376 HD22 LEU 57 2HD2 LEU 57 5.228 2.764 -19.600 377 HD23 LEU 57 3HD2 LEU 57 6.439 1.770 -18.788 378 H ASP 58 H ASP 58 9.961 3.059 -17.030 379 HA ASP 58 HA ASP 58 11.294 2.654 -14.530 380 HB2 ASP 58 1HB ASP 58 12.249 4.153 -16.979 381 HB3 ASP 58 2HB ASP 58 13.254 3.581 -15.650 382 H ALA 59 H ALA 59 9.805 3.996 -13.249 383 HA ALA 59 HA ALA 59 10.032 6.873 -13.592 384 HB1 ALA 59 1HB ALA 59 8.395 7.053 -11.846 385 HB2 ALA 59 2HB ALA 59 7.873 5.808 -12.981 386 HB3 ALA 59 3HB ALA 59 8.583 5.349 -11.433 387 H THR 60 H THR 60 10.529 8.224 -11.654 388 HA THR 60 HA THR 60 13.107 7.838 -10.754 389 HB THR 60 HB THR 60 12.231 9.383 -8.763 390 HG1 THR 60 1HG THR 60 10.132 9.624 -8.993 391 HG21 THR 60 1HG2 THR 60 12.324 11.316 -10.474 392 HG22 THR 60 2HG2 THR 60 12.684 10.054 -11.652 393 HG23 THR 60 3HG2 THR 60 13.754 10.304 -10.273 394 HA PRO 61 HA PRO 61 13.028 4.976 -7.427 395 HB2 PRO 61 1HB PRO 61 14.818 6.061 -5.698 396 HB3 PRO 61 2HB PRO 61 15.293 5.305 -7.224 397 HG2 PRO 61 1HG PRO 61 14.946 8.207 -6.576 398 HG3 PRO 61 2HG PRO 61 16.230 7.414 -7.509 399 HD2 PRO 61 1HD PRO 61 14.162 8.709 -8.684 400 HD3 PRO 61 2HD PRO 61 14.941 7.291 -9.416 401 H GLN 62 H GLN 62 12.034 8.207 -6.954 402 HA GLN 62 HA GLN 62 11.185 7.745 -4.200 403 HB2 GLN 62 1HB GLN 62 12.223 9.897 -4.720 404 HB3 GLN 62 2HB GLN 62 10.995 10.210 -5.940 405 HG2 GLN 62 1HG GLN 62 10.190 11.434 -4.189 406 HG3 GLN 62 2HG GLN 62 9.347 9.906 -3.940 407 HE21 GLN 62 1HE2 GLN 62 9.094 9.973 -1.778 408 HE22 GLN 62 2HE2 GLN 62 10.397 9.999 -0.644 409 H ASP 63 H ASP 63 9.926 7.849 -7.419 410 HA ASP 63 HA ASP 63 7.167 8.076 -6.565 411 HB2 ASP 63 1HB ASP 63 8.585 7.921 -9.186 412 HB3 ASP 63 2HB ASP 63 6.888 7.453 -9.129 413 H GLN 64 H GLN 64 9.443 5.585 -7.401 414 HA GLN 64 HA GLN 64 7.635 3.499 -7.955 415 HB2 GLN 64 1HB GLN 64 10.504 3.677 -7.183 416 HB3 GLN 64 2HB GLN 64 9.709 2.119 -7.005 417 HG2 GLN 64 1HG GLN 64 9.422 1.848 -9.257 418 HG3 GLN 64 2HG GLN 64 9.418 3.581 -9.576 419 HE21 GLN 64 1HE2 GLN 64 10.896 3.112 -11.292 420 HE22 GLN 64 2HE2 GLN 64 12.575 2.890 -10.955 421 H ALA 65 H ALA 65 8.839 4.846 -4.966 422 HA ALA 65 HA ALA 65 7.917 2.697 -3.306 423 HB1 ALA 65 1HB ALA 65 8.692 5.512 -2.552 424 HB2 ALA 65 2HB ALA 65 8.480 4.158 -1.442 425 HB3 ALA 65 3HB ALA 65 9.783 4.129 -2.630 426 H VAL 66 H VAL 66 6.881 6.110 -3.485 427 HA VAL 66 HA VAL 66 4.634 6.086 -2.003 428 HB VAL 66 HB VAL 66 5.408 8.084 -3.179 429 HG11 VAL 66 1HG1 VAL 66 4.844 8.442 -5.540 430 HG12 VAL 66 2HG1 VAL 66 5.951 7.084 -5.329 431 HG13 VAL 66 3HG1 VAL 66 4.240 6.788 -5.640 432 HG21 VAL 66 1HG2 VAL 66 3.312 9.091 -3.481 433 HG22 VAL 66 2HG2 VAL 66 2.574 7.591 -4.043 434 HG23 VAL 66 3HG2 VAL 66 3.012 7.776 -2.345 435 H LEU 67 H LEU 67 4.974 4.705 -5.219 436 HA LEU 67 HA LEU 67 2.195 4.131 -5.557 437 HB2 LEU 67 1HB LEU 67 4.697 3.256 -6.959 438 HB3 LEU 67 2HB LEU 67 3.127 2.566 -7.367 439 HG LEU 67 HG LEU 67 3.586 5.530 -7.450 440 HD11 LEU 67 1HD1 LEU 67 5.315 4.724 -8.853 441 HD12 LEU 67 2HD1 LEU 67 3.988 5.196 -9.913 442 HD13 LEU 67 3HD1 LEU 67 4.267 3.492 -9.556 443 HD21 LEU 67 1HD2 LEU 67 1.800 3.947 -9.241 444 HD22 LEU 67 2HD2 LEU 67 1.644 5.612 -8.680 445 HD23 LEU 67 3HD2 LEU 67 1.297 4.275 -7.583 446 H HIS 68 H HIS 68 4.994 2.345 -4.382 447 HA HIS 68 HA HIS 68 3.842 -0.205 -4.259 448 HB2 HIS 68 1HB HIS 68 6.086 1.128 -2.775 449 HB3 HIS 68 2HB HIS 68 5.564 -0.493 -2.327 450 HD1 HIS 68 1HD HIS 68 5.189 -1.848 -4.973 451 HD2 HIS 68 2HD HIS 68 8.334 0.761 -4.225 452 HE1 HIS 68 1HE HIS 68 6.971 -2.447 -6.643 453 HE2 HIS 68 2HE HIS 68 8.897 -0.912 -6.115 454 H ARG 69 H ARG 69 4.242 2.167 -1.622 455 HA ARG 69 HA ARG 69 2.780 0.788 0.305 456 HB2 ARG 69 1HB ARG 69 2.546 2.963 1.440 457 HB3 ARG 69 2HB ARG 69 4.186 2.690 0.867 458 HG2 ARG 69 1HG ARG 69 4.056 4.333 -0.718 459 HG3 ARG 69 2HG ARG 69 2.304 4.191 -0.878 460 HD2 ARG 69 1HD ARG 69 1.892 5.539 0.925 461 HD3 ARG 69 2HD ARG 69 3.408 5.119 1.721 462 HE ARG 69 HE ARG 69 2.958 7.281 -0.102 463 HH11 ARG 69 2HH1 ARG 69 5.341 5.061 1.128 464 HH12 ARG 69 1HH1 ARG 69 6.682 6.097 0.768 465 HH21 ARG 69 2HH2 ARG 69 4.715 8.654 -0.581 466 HH22 ARG 69 1HH2 ARG 69 6.324 8.141 -0.204 467 H ASN 70 H ASN 70 1.713 2.578 -2.444 468 HA ASN 70 HA ASN 70 -0.950 3.070 -1.517 469 HB2 ASN 70 1HB ASN 70 0.364 3.202 -4.228 470 HB3 ASN 70 2HB ASN 70 -1.359 3.495 -4.012 471 HD21 ASN 70 1HD2 ASN 70 0.182 5.442 -5.065 472 HD22 ASN 70 2HD2 ASN 70 0.376 6.736 -3.936 473 H ARG 71 H ARG 71 0.498 0.730 -3.771 474 HA ARG 71 HA ARG 71 -1.671 -0.644 -4.647 475 HB2 ARG 71 1HB ARG 71 1.089 -1.527 -3.907 476 HB3 ARG 71 2HB ARG 71 -0.104 -2.740 -4.353 477 HG2 ARG 71 1HG ARG 71 -0.477 -1.400 -6.467 478 HG3 ARG 71 2HG ARG 71 0.969 -0.490 -6.026 479 HD2 ARG 71 1HD ARG 71 1.884 -2.110 -7.365 480 HD3 ARG 71 2HD ARG 71 2.017 -2.882 -5.786 481 HE ARG 71 HE ARG 71 -0.424 -3.653 -6.823 482 HH11 ARG 71 2HH1 ARG 71 2.933 -3.954 -7.697 483 HH12 ARG 71 1HH1 ARG 71 2.718 -5.461 -8.523 484 HH21 ARG 71 2HH2 ARG 71 -0.719 -5.638 -7.908 485 HH22 ARG 71 1HH2 ARG 71 0.640 -6.418 -8.644 486 H ALA 72 H ALA 72 0.078 -1.411 -1.634 487 HA ALA 72 HA ALA 72 -1.402 -3.459 -0.649 488 HB1 ALA 72 1HB ALA 72 -0.040 -3.121 1.067 489 HB2 ALA 72 2HB ALA 72 0.373 -1.525 0.439 490 HB3 ALA 72 3HB ALA 72 -0.989 -1.713 1.544 491 H ALA 73 H ALA 73 -2.267 -0.034 -0.565 492 HA ALA 73 HA ALA 73 -4.453 -0.047 1.092 493 HB1 ALA 73 1HB ALA 73 -3.370 1.887 -0.233 494 HB2 ALA 73 2HB ALA 73 -4.546 1.477 -1.483 495 HB3 ALA 73 3HB ALA 73 -5.096 1.960 0.121 496 H CYS 74 H CYS 74 -4.569 -0.536 -2.443 497 HA CYS 74 HA CYS 74 -7.266 -1.133 -2.655 498 HB2 CYS 74 1HB CYS 74 -4.926 -2.133 -4.285 499 HB3 CYS 74 2HB CYS 74 -6.607 -2.399 -4.733 500 HG CYS 74 HG CYS 74 -4.722 0.124 -5.467 501 H HIS 75 H HIS 75 -4.547 -3.382 -2.197 502 HA HIS 75 HA HIS 75 -5.964 -5.764 -2.187 503 HB2 HIS 75 1HB HIS 75 -3.479 -4.965 -0.667 504 HB3 HIS 75 2HB HIS 75 -4.095 -6.615 -0.711 505 HD1 HIS 75 1HD HIS 75 -4.714 -7.047 -3.606 506 HD2 HIS 75 2HD HIS 75 -1.354 -4.960 -2.333 507 HE1 HIS 75 1HE HIS 75 -3.080 -7.175 -5.513 508 HE2 HIS 75 2HE HIS 75 -1.023 -5.979 -4.687 509 H LEU 76 H LEU 76 -5.103 -3.736 0.615 510 HA LEU 76 HA LEU 76 -6.228 -5.177 2.645 511 HB2 LEU 76 1HB LEU 76 -6.138 -2.202 2.219 512 HB3 LEU 76 2HB LEU 76 -6.714 -2.931 3.716 513 HG LEU 76 HG LEU 76 -3.948 -3.366 2.600 514 HD11 LEU 76 1HD1 LEU 76 -4.210 -1.717 4.991 515 HD12 LEU 76 2HD1 LEU 76 -4.892 -0.976 3.545 516 HD13 LEU 76 3HD1 LEU 76 -3.206 -1.492 3.559 517 HD21 LEU 76 1HD2 LEU 76 -4.040 -3.677 5.380 518 HD22 LEU 76 2HD2 LEU 76 -3.852 -4.940 4.163 519 HD23 LEU 76 3HD2 LEU 76 -5.459 -4.520 4.757 520 H LYS 77 H LYS 77 -7.888 -2.866 0.522 521 HA LYS 77 HA LYS 77 -10.436 -3.183 1.731 522 HB2 LYS 77 1HB LYS 77 -9.903 -2.310 -1.108 523 HB3 LYS 77 2HB LYS 77 -11.294 -1.914 -0.107 524 HG2 LYS 77 1HG LYS 77 -8.478 -1.029 0.481 525 HG3 LYS 77 2HG LYS 77 -9.675 -0.056 -0.378 526 HD2 LYS 77 1HD LYS 77 -10.227 -1.190 2.348 527 HD3 LYS 77 2HD LYS 77 -9.386 0.348 2.138 528 HE2 LYS 77 1HE LYS 77 -11.956 -0.105 0.697 529 HE3 LYS 77 2HE LYS 77 -12.000 0.252 2.423 530 HZ1 LYS 77 1HZ LYS 77 -11.764 2.058 0.346 531 HZ2 LYS 77 2HZ LYS 77 -10.248 2.033 1.095 532 HZ3 LYS 77 3HZ LYS 77 -11.633 2.381 2.001 533 H LEU 78 H LEU 78 -8.727 -4.875 -0.802 534 HA LEU 78 HA LEU 78 -11.100 -6.448 -1.464 535 HB2 LEU 78 1HB LEU 78 -8.336 -6.478 -2.666 536 HB3 LEU 78 2HB LEU 78 -9.722 -7.394 -3.254 537 HG LEU 78 HG LEU 78 -9.849 -4.408 -3.116 538 HD11 LEU 78 1HD1 LEU 78 -7.740 -5.107 -4.297 539 HD12 LEU 78 2HD1 LEU 78 -8.880 -4.172 -5.264 540 HD13 LEU 78 3HD1 LEU 78 -8.765 -5.918 -5.481 541 HD21 LEU 78 1HD2 LEU 78 -11.723 -6.217 -3.713 542 HD22 LEU 78 2HD2 LEU 78 -10.999 -6.026 -5.310 543 HD23 LEU 78 3HD2 LEU 78 -11.656 -4.623 -4.466 544 H GLU 79 H GLU 79 -10.122 -6.810 1.129 545 HA GLU 79 HA GLU 79 -9.173 -8.341 2.574 546 HB2 GLU 79 1HB GLU 79 -11.460 -9.211 1.608 547 HB3 GLU 79 2HB GLU 79 -10.446 -10.438 0.862 548 HG2 GLU 79 1HG GLU 79 -9.516 -10.822 3.219 549 HG3 GLU 79 2HG GLU 79 -10.924 -9.914 3.769 550 H ASP 80 H ASP 80 -7.275 -7.662 0.671 551 HA ASP 80 HA ASP 80 -5.978 -10.244 0.095 552 HB2 ASP 80 1HB ASP 80 -5.771 -7.584 -1.317 553 HB3 ASP 80 2HB ASP 80 -4.637 -8.903 -1.594 554 H TYR 81 H TYR 81 -5.912 -8.825 2.628 555 HA TYR 81 HA TYR 81 -3.792 -7.242 3.197 556 HB2 TYR 81 1HB TYR 81 -4.517 -9.686 4.824 557 HB3 TYR 81 2HB TYR 81 -3.720 -8.229 5.409 558 HD1 TYR 81 2HD TYR 81 -4.981 -6.182 5.777 559 HD2 TYR 81 1HD TYR 81 -6.904 -9.709 4.375 560 HE1 TYR 81 2HE TYR 81 -7.168 -5.200 6.325 561 HE2 TYR 81 1HE TYR 81 -9.097 -8.736 4.917 562 HH TYR 81 HH TYR 81 -9.884 -5.996 5.162 563 H ASP 82 H ASP 82 -3.632 -10.793 2.968 564 HA ASP 82 HA ASP 82 -1.101 -11.402 3.535 565 HB2 ASP 82 1HB ASP 82 -2.717 -12.300 1.155 566 HB3 ASP 82 2HB ASP 82 -1.136 -12.987 1.521 567 H LYS 83 H LYS 83 -2.013 -10.224 0.293 568 HA LYS 83 HA LYS 83 0.648 -9.913 -0.606 569 HB2 LYS 83 1HB LYS 83 -1.842 -8.514 -1.597 570 HB3 LYS 83 2HB LYS 83 -0.322 -8.667 -2.469 571 HG2 LYS 83 1HG LYS 83 -0.780 -11.243 -2.090 572 HG3 LYS 83 2HG LYS 83 -2.449 -10.677 -1.988 573 HD2 LYS 83 1HD LYS 83 -2.199 -11.135 -4.250 574 HD3 LYS 83 2HD LYS 83 -1.895 -9.398 -4.171 575 HE2 LYS 83 1HE LYS 83 0.582 -10.073 -3.916 576 HE3 LYS 83 2HE LYS 83 0.060 -11.645 -4.520 577 HZ1 LYS 83 1HZ LYS 83 -1.034 -10.147 -6.356 578 HZ2 LYS 83 2HZ LYS 83 0.586 -10.620 -6.464 579 HZ3 LYS 83 3HZ LYS 83 0.193 -9.072 -5.908 580 H ALA 84 H ALA 84 -1.728 -7.544 0.582 581 HA ALA 84 HA ALA 84 -0.433 -5.191 0.337 582 HB1 ALA 84 1HB ALA 84 -1.438 -4.563 2.584 583 HB2 ALA 84 2HB ALA 84 -2.552 -5.165 1.356 584 HB3 ALA 84 3HB ALA 84 -2.027 -6.224 2.665 585 H GLU 85 H GLU 85 0.105 -7.479 3.016 586 HA GLU 85 HA GLU 85 2.009 -6.089 4.436 587 HB2 GLU 85 1HB GLU 85 0.951 -8.322 5.012 588 HB3 GLU 85 2HB GLU 85 2.145 -9.064 3.956 589 HG2 GLU 85 1HG GLU 85 3.110 -7.243 6.091 590 HG3 GLU 85 2HG GLU 85 2.525 -8.840 6.554 591 H THR 86 H THR 86 2.655 -8.473 1.863 592 HA THR 86 HA THR 86 5.417 -8.154 1.758 593 HB THR 86 HB THR 86 3.594 -8.805 -0.566 594 HG1 THR 86 1HG THR 86 4.959 -10.724 0.982 595 HG21 THR 86 1HG2 THR 86 5.976 -8.216 -1.110 596 HG22 THR 86 2HG2 THR 86 5.493 -9.846 -1.578 597 HG23 THR 86 3HG2 THR 86 6.472 -9.597 -0.132 598 H GLU 87 H GLU 87 2.879 -6.451 -0.048 599 HA GLU 87 HA GLU 87 4.525 -4.912 -1.693 600 HB2 GLU 87 1HB GLU 87 1.856 -4.109 -0.523 601 HB3 GLU 87 2HB GLU 87 2.615 -3.419 -1.950 602 HG2 GLU 87 1HG GLU 87 1.644 -6.251 -1.648 603 HG3 GLU 87 2HG GLU 87 0.859 -4.968 -2.567 604 H ALA 88 H ALA 88 2.996 -3.944 1.382 605 HA ALA 88 HA ALA 88 4.037 -1.447 1.705 606 HB1 ALA 88 1HB ALA 88 4.144 -2.178 4.242 607 HB2 ALA 88 2HB ALA 88 2.606 -1.984 3.399 608 HB3 ALA 88 3HB ALA 88 3.293 -3.593 3.620 609 H SER 89 H SER 89 5.583 -4.418 2.944 610 HA SER 89 HA SER 89 7.889 -3.419 3.968 611 HB2 SER 89 1HB SER 89 7.444 -5.780 4.085 612 HB3 SER 89 2HB SER 89 7.522 -5.936 2.330 613 HG SER 89 HG SER 89 9.649 -5.319 4.103 614 H LYS 90 H LYS 90 7.325 -4.191 0.546 615 HA LYS 90 HA LYS 90 9.860 -3.494 -0.410 616 HB2 LYS 90 1HB LYS 90 7.191 -3.313 -1.821 617 HB3 LYS 90 2HB LYS 90 8.762 -3.269 -2.610 618 HG2 LYS 90 1HG LYS 90 9.146 -5.556 -1.492 619 HG3 LYS 90 2HG LYS 90 7.395 -5.563 -1.263 620 HD2 LYS 90 1HD LYS 90 8.462 -4.915 -3.964 621 HD3 LYS 90 2HD LYS 90 8.515 -6.595 -3.426 622 HE2 LYS 90 1HE LYS 90 6.230 -6.791 -3.372 623 HE3 LYS 90 2HE LYS 90 5.981 -5.069 -3.091 624 HZ1 LYS 90 1HZ LYS 90 6.897 -4.824 -5.464 625 HZ2 LYS 90 2HZ LYS 90 5.303 -5.353 -5.265 626 HZ3 LYS 90 3HZ LYS 90 6.524 -6.466 -5.628 627 H ALA 91 H ALA 91 7.056 -1.540 0.347 628 HA ALA 91 HA ALA 91 8.005 0.840 -0.918 629 HB1 ALA 91 1HB ALA 91 5.748 0.976 -0.679 630 HB2 ALA 91 2HB ALA 91 5.747 0.129 0.869 631 HB3 ALA 91 3HB ALA 91 6.230 1.824 0.791 632 H ILE 92 H ILE 92 8.721 -0.744 2.022 633 HA ILE 92 HA ILE 92 9.636 1.653 3.379 634 HB ILE 92 HB ILE 92 9.811 -1.254 4.177 635 HG12 ILE 92 1HG1 ILE 92 8.118 0.892 5.440 636 HG13 ILE 92 2HG1 ILE 92 7.537 -0.046 4.068 637 HG21 ILE 92 1HG2 ILE 92 10.098 0.389 6.423 638 HG22 ILE 92 2HG2 ILE 92 11.326 -0.630 5.675 639 HG23 ILE 92 3HG2 ILE 92 11.173 1.060 5.198 640 HD11 ILE 92 1HD1 ILE 92 8.622 -1.621 6.295 641 HD12 ILE 92 2HD1 ILE 92 7.145 -0.721 6.641 642 HD13 ILE 92 3HD1 ILE 92 7.182 -1.877 5.310 643 H GLU 93 H GLU 93 11.119 -1.393 2.260 644 HA GLU 93 HA GLU 93 13.772 -0.694 2.756 645 HB2 GLU 93 1HB GLU 93 14.309 -2.405 0.981 646 HB3 GLU 93 2HB GLU 93 13.274 -2.969 2.285 647 HG2 GLU 93 1HG GLU 93 11.344 -2.873 0.911 648 HG3 GLU 93 2HG GLU 93 12.213 -2.012 -0.358 649 H LYS 94 H LYS 94 11.623 0.283 0.232 650 HA LYS 94 HA LYS 94 13.390 0.996 -1.791 651 HB2 LYS 94 1HB LYS 94 10.692 1.931 -0.938 652 HB3 LYS 94 2HB LYS 94 11.568 2.912 -2.105 653 HG2 LYS 94 1HG LYS 94 11.209 -0.029 -2.528 654 HG3 LYS 94 2HG LYS 94 9.947 1.122 -2.971 655 HD2 LYS 94 1HD LYS 94 11.374 2.223 -4.516 656 HD3 LYS 94 2HD LYS 94 12.797 1.370 -3.912 657 HE2 LYS 94 1HE LYS 94 10.468 -0.075 -5.144 658 HE3 LYS 94 2HE LYS 94 11.790 0.568 -6.117 659 HZ1 LYS 94 1HZ LYS 94 12.146 -1.339 -3.871 660 HZ2 LYS 94 2HZ LYS 94 13.337 -0.810 -4.948 661 HZ3 LYS 94 3HZ LYS 94 12.073 -1.789 -5.500 662 H ASP 95 H ASP 95 12.049 3.167 0.706 663 HA ASP 95 HA ASP 95 14.281 5.004 0.232 664 HB2 ASP 95 1HB ASP 95 11.967 5.907 0.195 665 HB3 ASP 95 2HB ASP 95 11.776 5.422 1.878 666 H GLY 96 H GLY 96 12.550 3.518 2.975 667 HA2 GLY 96 1HA GLY 96 13.980 2.336 4.618 668 HA3 GLY 96 2HA GLY 96 15.072 3.709 4.506 669 H GLY 97 H GLY 97 13.394 5.850 4.676 670 HA2 GLY 97 1HA GLY 97 12.314 5.523 7.401 671 HA3 GLY 97 2HA GLY 97 12.956 7.024 6.748 672 H ASP 98 H ASP 98 10.508 4.652 5.696 673 HA ASP 98 HA ASP 98 8.632 6.903 5.376 674 HB2 ASP 98 1HB ASP 98 9.187 4.554 3.595 675 HB3 ASP 98 2HB ASP 98 7.588 5.295 3.595 676 H VAL 99 H VAL 99 7.367 6.746 7.137 677 HA VAL 99 HA VAL 99 6.622 4.278 8.344 678 HB VAL 99 HB VAL 99 5.227 5.564 9.811 679 HG11 VAL 99 1HG1 VAL 99 7.822 6.898 9.093 680 HG12 VAL 99 2HG1 VAL 99 6.848 7.409 10.474 681 HG13 VAL 99 3HG1 VAL 99 7.494 5.768 10.406 682 HG21 VAL 99 1HG2 VAL 99 5.589 7.841 7.865 683 HG22 VAL 99 2HG2 VAL 99 4.098 6.951 8.170 684 HG23 VAL 99 3HG2 VAL 99 4.797 7.959 9.436 685 H LYS 100 H LYS 100 5.062 6.483 6.082 686 HA LYS 100 HA LYS 100 2.484 5.830 6.001 687 HB2 LYS 100 1HB LYS 100 4.163 5.707 3.493 688 HB3 LYS 100 2HB LYS 100 2.467 6.155 3.619 689 HG2 LYS 100 1HG LYS 100 3.319 8.235 3.503 690 HG3 LYS 100 2HG LYS 100 3.523 8.002 5.241 691 HD2 LYS 100 1HD LYS 100 5.825 6.940 4.420 692 HD3 LYS 100 2HD LYS 100 5.548 8.045 3.071 693 HE2 LYS 100 1HE LYS 100 5.376 8.939 5.935 694 HE3 LYS 100 2HE LYS 100 6.901 8.920 5.051 695 HZ1 LYS 100 1HZ LYS 100 4.461 10.423 4.271 696 HZ2 LYS 100 2HZ LYS 100 5.913 10.395 3.404 697 HZ3 LYS 100 3HZ LYS 100 5.862 11.090 4.946 698 H ALA 101 H ALA 101 5.073 3.710 4.856 699 HA ALA 101 HA ALA 101 3.271 1.635 4.024 700 HB1 ALA 101 1HB ALA 101 6.249 1.493 4.478 701 HB2 ALA 101 2HB ALA 101 5.262 0.333 3.588 702 HB3 ALA 101 3HB ALA 101 5.473 1.971 2.968 703 H LEU 102 H LEU 102 5.379 2.198 6.814 704 HA LEU 102 HA LEU 102 5.120 -0.242 8.098 705 HB2 LEU 102 1HB LEU 102 5.609 2.547 9.011 706 HB3 LEU 102 2HB LEU 102 5.269 1.315 10.224 707 HG LEU 102 HG LEU 102 7.451 0.930 8.202 708 HD11 LEU 102 1HD1 LEU 102 8.779 2.440 9.136 709 HD12 LEU 102 2HD1 LEU 102 8.431 1.822 10.751 710 HD13 LEU 102 3HD1 LEU 102 7.384 3.045 10.031 711 HD21 LEU 102 1HD2 LEU 102 6.984 -0.110 10.995 712 HD22 LEU 102 2HD2 LEU 102 8.369 -0.495 9.973 713 HD23 LEU 102 3HD2 LEU 102 6.750 -1.007 9.495 714 H TYR 103 H TYR 103 3.034 2.621 8.343 715 HA TYR 103 HA TYR 103 1.251 1.561 10.245 716 HB2 TYR 103 1HB TYR 103 1.391 3.962 9.709 717 HB3 TYR 103 2HB TYR 103 0.722 3.643 8.113 718 HD1 TYR 103 2HD TYR 103 -0.250 2.467 11.526 719 HD2 TYR 103 1HD TYR 103 -1.400 4.549 7.998 720 HE1 TYR 103 2HE TYR 103 -2.522 2.734 12.431 721 HE2 TYR 103 1HE TYR 103 -3.674 4.824 8.894 722 HH TYR 103 HH TYR 103 -4.485 4.557 11.963 723 H ARG 104 H ARG 104 1.216 1.538 6.706 724 HA ARG 104 HA ARG 104 -1.321 0.305 6.441 725 HB2 ARG 104 1HB ARG 104 1.025 0.714 4.621 726 HB3 ARG 104 2HB ARG 104 -0.293 -0.339 4.123 727 HG2 ARG 104 1HG ARG 104 -0.751 2.484 5.033 728 HG3 ARG 104 2HG ARG 104 -0.394 2.070 3.355 729 HD2 ARG 104 1HD ARG 104 -2.677 2.019 3.292 730 HD3 ARG 104 2HD ARG 104 -2.350 0.342 3.727 731 HE ARG 104 HE ARG 104 -3.503 0.731 5.645 732 HH11 ARG 104 2HH1 ARG 104 -2.118 3.743 4.582 733 HH12 ARG 104 1HH1 ARG 104 -2.800 4.665 5.881 734 HH21 ARG 104 2HH2 ARG 104 -4.406 1.934 7.359 735 HH22 ARG 104 1HH2 ARG 104 -4.101 3.635 7.460 736 H ARG 105 H ARG 105 1.917 -0.918 6.911 737 HA ARG 105 HA ARG 105 1.383 -3.613 6.191 738 HB2 ARG 105 1HB ARG 105 3.658 -2.833 6.223 739 HB3 ARG 105 2HB ARG 105 3.531 -2.376 7.916 740 HG2 ARG 105 1HG ARG 105 3.586 -4.585 8.646 741 HG3 ARG 105 2HG ARG 105 3.159 -5.218 7.054 742 HD2 ARG 105 1HD ARG 105 5.331 -4.524 6.187 743 HD3 ARG 105 2HD ARG 105 5.755 -3.854 7.762 744 HE ARG 105 HE ARG 105 5.074 -6.562 8.067 745 HH11 ARG 105 2HH1 ARG 105 7.573 -4.560 6.701 746 HH12 ARG 105 1HH1 ARG 105 8.818 -5.747 6.907 747 HH21 ARG 105 2HH2 ARG 105 6.704 -8.133 8.344 748 HH22 ARG 105 1HH2 ARG 105 8.322 -7.780 7.841 749 H SER 106 H SER 106 1.698 -2.028 9.370 750 HA SER 106 HA SER 106 1.167 -4.144 11.023 751 HB2 SER 106 1HB SER 106 0.200 -2.461 12.612 752 HB3 SER 106 2HB SER 106 1.760 -1.991 11.937 753 HG SER 106 HG SER 106 -0.576 -1.173 10.628 754 H GLN 107 H GLN 107 -0.988 -2.595 8.836 755 HA GLN 107 HA GLN 107 -3.432 -3.371 10.078 756 HB2 GLN 107 1HB GLN 107 -2.837 -2.623 7.210 757 HB3 GLN 107 2HB GLN 107 -4.449 -2.811 7.887 758 HG2 GLN 107 1HG GLN 107 -2.470 -0.868 9.023 759 HG3 GLN 107 2HG GLN 107 -3.526 -0.452 7.674 760 HE21 GLN 107 1HE2 GLN 107 -4.468 1.163 8.989 761 HE22 GLN 107 2HE2 GLN 107 -5.636 0.756 10.195 762 H ALA 108 H ALA 108 -1.564 -4.683 7.348 763 HA ALA 108 HA ALA 108 -3.287 -6.902 6.926 764 HB1 ALA 108 1HB ALA 108 -1.094 -5.765 5.617 765 HB2 ALA 108 2HB ALA 108 -0.601 -7.408 6.030 766 HB3 ALA 108 3HB ALA 108 -2.066 -7.139 5.086 767 H LEU 109 H LEU 109 -0.496 -6.339 8.953 768 HA LEU 109 HA LEU 109 0.235 -8.968 9.532 769 HB2 LEU 109 1HB LEU 109 0.459 -6.374 10.990 770 HB3 LEU 109 2HB LEU 109 0.888 -7.870 11.817 771 HG LEU 109 HG LEU 109 2.146 -6.900 9.252 772 HD11 LEU 109 1HD1 LEU 109 2.539 -5.568 11.433 773 HD12 LEU 109 2HD1 LEU 109 3.929 -6.063 10.468 774 HD13 LEU 109 3HD1 LEU 109 3.498 -6.966 11.920 775 HD21 LEU 109 1HD2 LEU 109 3.872 -8.663 10.338 776 HD22 LEU 109 2HD2 LEU 109 2.654 -9.092 9.138 777 HD23 LEU 109 3HD2 LEU 109 2.339 -9.366 10.852 778 H GLU 110 H GLU 110 -1.904 -6.825 11.424 779 HA GLU 110 HA GLU 110 -2.702 -8.665 13.334 780 HB2 GLU 110 1HB GLU 110 -4.315 -6.411 12.127 781 HB3 GLU 110 2HB GLU 110 -4.715 -7.251 13.618 782 HG2 GLU 110 1HG GLU 110 -3.040 -6.249 14.801 783 HG3 GLU 110 2HG GLU 110 -2.029 -6.008 13.378 784 H LYS 111 H LYS 111 -3.986 -8.096 10.099 785 HA LYS 111 HA LYS 111 -6.283 -9.656 10.225 786 HB2 LYS 111 1HB LYS 111 -5.870 -8.234 8.326 787 HB3 LYS 111 2HB LYS 111 -4.411 -9.126 7.914 788 HG2 LYS 111 1HG LYS 111 -5.834 -10.044 6.409 789 HG3 LYS 111 2HG LYS 111 -6.123 -11.138 7.764 790 HD2 LYS 111 1HD LYS 111 -7.771 -8.660 7.475 791 HD3 LYS 111 2HD LYS 111 -8.137 -10.077 6.488 792 HE2 LYS 111 1HE LYS 111 -8.160 -11.398 8.652 793 HE3 LYS 111 2HE LYS 111 -8.138 -9.847 9.488 794 HZ1 LYS 111 1HZ LYS 111 -10.141 -9.472 7.772 795 HZ2 LYS 111 2HZ LYS 111 -10.354 -10.060 9.343 796 HZ3 LYS 111 3HZ LYS 111 -10.292 -11.136 8.039 797 H LEU 112 H LEU 112 -2.952 -10.599 9.477 798 HA LEU 112 HA LEU 112 -3.652 -13.358 9.061 799 HB2 LEU 112 1HB LEU 112 -0.961 -12.046 9.417 800 HB3 LEU 112 2HB LEU 112 -1.226 -13.713 8.912 801 HG LEU 112 HG LEU 112 -2.296 -11.408 7.314 802 HD11 LEU 112 1HD1 LEU 112 0.493 -12.404 7.510 803 HD12 LEU 112 2HD1 LEU 112 -0.112 -10.782 7.174 804 HD13 LEU 112 3HD1 LEU 112 -0.139 -12.012 5.911 805 HD21 LEU 112 1HD2 LEU 112 -2.794 -12.950 5.752 806 HD22 LEU 112 2HD2 LEU 112 -2.747 -14.066 7.117 807 HD23 LEU 112 3HD2 LEU 112 -1.339 -13.895 6.068 808 H GLY 113 H GLY 113 -3.802 -11.669 11.753 809 HA2 GLY 113 1HA GLY 113 -4.144 -12.628 13.886 810 HA3 GLY 113 2HA GLY 113 -3.137 -13.988 13.410 811 H ARG 114 H ARG 114 -1.113 -12.009 12.337 812 HA ARG 114 HA ARG 114 0.548 -11.941 14.614 813 HB2 ARG 114 1HB ARG 114 0.710 -10.669 11.894 814 HB3 ARG 114 2HB ARG 114 1.922 -10.337 13.125 815 HG2 ARG 114 1HG ARG 114 2.788 -12.452 13.043 816 HG3 ARG 114 2HG ARG 114 1.271 -13.169 12.495 817 HD2 ARG 114 1HD ARG 114 1.586 -12.375 10.289 818 HD3 ARG 114 2HD ARG 114 2.898 -11.307 10.784 819 HE ARG 114 HE ARG 114 3.575 -13.982 11.361 820 HH11 ARG 114 2HH1 ARG 114 3.180 -11.800 8.677 821 HH12 ARG 114 1HH1 ARG 114 4.320 -12.626 7.668 822 HH21 ARG 114 2HH2 ARG 114 5.079 -15.079 10.042 823 HH22 ARG 114 1HH2 ARG 114 5.399 -14.492 8.445 824 H LEU 115 H LEU 115 -0.887 -10.886 16.148 825 HA LEU 115 HA LEU 115 -1.483 -8.086 15.782 826 HB2 LEU 115 1HB LEU 115 -1.759 -9.812 18.238 827 HB3 LEU 115 2HB LEU 115 -2.457 -8.210 18.007 828 HG LEU 115 HG LEU 115 -3.224 -10.748 16.571 829 HD11 LEU 115 1HD1 LEU 115 -4.001 -9.871 19.030 830 HD12 LEU 115 2HD1 LEU 115 -4.958 -10.910 17.975 831 HD13 LEU 115 3HD1 LEU 115 -5.238 -9.169 17.987 832 HD21 LEU 115 1HD2 LEU 115 -3.804 -9.401 14.885 833 HD22 LEU 115 2HD2 LEU 115 -3.583 -7.944 15.854 834 HD23 LEU 115 3HD2 LEU 115 -5.098 -8.844 15.946 835 H ASP 116 H ASP 116 0.750 -10.028 17.716 836 HA ASP 116 HA ASP 116 1.843 -7.977 19.268 837 HB2 ASP 116 1HB ASP 116 2.956 -10.603 18.297 838 HB3 ASP 116 2HB ASP 116 3.899 -9.518 19.314 839 H GLN 117 H GLN 117 2.783 -9.190 16.074 840 HA GLN 117 HA GLN 117 5.077 -7.607 15.748 841 HB2 GLN 117 1HB GLN 117 3.181 -8.838 13.754 842 HB3 GLN 117 2HB GLN 117 4.630 -7.967 13.269 843 HG2 GLN 117 1HG GLN 117 5.291 -10.186 13.254 844 HG3 GLN 117 2HG GLN 117 5.884 -9.588 14.803 845 HE21 GLN 117 1HE2 GLN 117 5.936 -11.846 15.395 846 HE22 GLN 117 2HE2 GLN 117 4.492 -12.614 15.953 847 H ALA 118 H ALA 118 1.765 -7.071 14.544 848 HA ALA 118 HA ALA 118 1.997 -4.712 13.243 849 HB1 ALA 118 1HB ALA 118 -0.104 -6.172 14.175 850 HB2 ALA 118 2HB ALA 118 -0.261 -4.683 15.109 851 HB3 ALA 118 3HB ALA 118 -0.241 -4.621 13.346 852 H VAL 119 H VAL 119 1.807 -5.095 16.765 853 HA VAL 119 HA VAL 119 1.761 -2.393 17.464 854 HB VAL 119 HB VAL 119 2.808 -4.813 18.914 855 HG11 VAL 119 1HG1 VAL 119 4.058 -3.411 20.140 856 HG12 VAL 119 2HG1 VAL 119 3.211 -1.981 19.547 857 HG13 VAL 119 3HG1 VAL 119 2.522 -2.932 20.862 858 HG21 VAL 119 1HG2 VAL 119 0.822 -4.695 20.165 859 HG22 VAL 119 2HG2 VAL 119 0.480 -3.051 19.626 860 HG23 VAL 119 3HG2 VAL 119 0.326 -4.399 18.499 861 H LEU 120 H LEU 120 4.573 -4.584 17.304 862 HA LEU 120 HA LEU 120 6.563 -2.771 17.900 863 HB2 LEU 120 1HB LEU 120 6.732 -5.007 15.886 864 HB3 LEU 120 2HB LEU 120 8.090 -4.235 16.704 865 HG LEU 120 HG LEU 120 5.986 -5.597 18.329 866 HD11 LEU 120 1HD1 LEU 120 8.303 -7.230 17.526 867 HD12 LEU 120 2HD1 LEU 120 7.066 -6.987 16.294 868 HD13 LEU 120 3HD1 LEU 120 6.633 -7.700 17.847 869 HD21 LEU 120 1HD2 LEU 120 7.775 -4.250 19.379 870 HD22 LEU 120 2HD2 LEU 120 8.972 -5.327 18.659 871 HD23 LEU 120 3HD2 LEU 120 7.825 -5.950 19.847 872 H ASP 121 H ASP 121 5.580 -3.729 14.604 873 HA ASP 121 HA ASP 121 7.082 -1.947 13.159 874 HB2 ASP 121 1HB ASP 121 4.330 -3.064 12.655 875 HB3 ASP 121 2HB ASP 121 5.131 -2.016 11.488 876 H LEU 122 H LEU 122 3.916 -1.381 14.645 877 HA LEU 122 HA LEU 122 3.510 1.214 13.658 878 HB2 LEU 122 1HB LEU 122 2.514 -0.233 16.091 879 HB3 LEU 122 2HB LEU 122 2.061 1.438 15.762 880 HG LEU 122 HG LEU 122 1.562 -0.764 13.778 881 HD11 LEU 122 1HD1 LEU 122 -0.825 -0.604 14.728 882 HD12 LEU 122 2HD1 LEU 122 -0.046 0.035 16.175 883 HD13 LEU 122 3HD1 LEU 122 0.363 -1.579 15.594 884 HD21 LEU 122 1HD2 LEU 122 -0.191 0.807 13.022 885 HD22 LEU 122 2HD2 LEU 122 1.436 1.475 12.893 886 HD23 LEU 122 3HD2 LEU 122 0.379 1.975 14.214 887 H GLN 123 H GLN 123 4.929 0.107 16.725 888 HA GLN 123 HA GLN 123 5.393 2.404 18.059 889 HB2 GLN 123 1HB GLN 123 7.342 0.131 17.656 890 HB3 GLN 123 2HB GLN 123 7.534 1.390 18.869 891 HG2 GLN 123 1HG GLN 123 5.094 0.608 19.531 892 HG3 GLN 123 2HG GLN 123 5.643 -0.888 18.776 893 HE21 GLN 123 1HE2 GLN 123 5.525 -1.924 20.798 894 HE22 GLN 123 2HE2 GLN 123 6.746 -1.689 21.998 895 H ARG 124 H ARG 124 7.074 1.331 15.170 896 HA ARG 124 HA ARG 124 9.135 3.268 15.217 897 HB2 ARG 124 1HB ARG 124 7.919 1.667 12.966 898 HB3 ARG 124 2HB ARG 124 9.293 2.741 12.747 899 HG2 ARG 124 1HG ARG 124 10.543 1.421 14.422 900 HG3 ARG 124 2HG ARG 124 9.177 0.306 14.511 901 HD2 ARG 124 1HD ARG 124 10.562 -0.747 12.992 902 HD3 ARG 124 2HD ARG 124 9.473 0.151 11.936 903 HE ARG 124 HE ARG 124 11.271 1.337 11.196 904 HH11 ARG 124 2HH1 ARG 124 12.059 -0.049 14.291 905 HH12 ARG 124 1HH1 ARG 124 13.706 0.488 14.258 906 HH21 ARG 124 2HH2 ARG 124 13.437 2.049 11.141 907 HH22 ARG 124 1HH2 ARG 124 14.489 1.682 12.467 908 H CYS 125 H CYS 125 6.034 3.156 13.472 909 HA CYS 125 HA CYS 125 6.140 5.479 12.049 910 HB2 CYS 125 1HB CYS 125 3.715 4.527 13.587 911 HB3 CYS 125 2HB CYS 125 3.713 5.559 12.162 912 HG CYS 125 HG CYS 125 3.137 2.514 12.086 913 H VAL 126 H VAL 126 5.112 5.163 15.440 914 HA VAL 126 HA VAL 126 4.592 7.886 15.885 915 HB VAL 126 HB VAL 126 5.475 5.794 17.878 916 HG11 VAL 126 1HG1 VAL 126 5.779 7.761 19.038 917 HG12 VAL 126 2HG1 VAL 126 4.488 8.597 18.171 918 HG13 VAL 126 3HG1 VAL 126 4.092 7.398 19.403 919 HG21 VAL 126 1HG2 VAL 126 3.087 6.044 16.383 920 HG22 VAL 126 2HG2 VAL 126 3.446 4.911 17.685 921 HG23 VAL 126 3HG2 VAL 126 2.713 6.472 18.052 922 H SER 127 H SER 127 7.552 6.109 15.721 923 HA SER 127 HA SER 127 9.123 8.079 17.121 924 HB2 SER 127 1HB SER 127 9.659 5.598 17.012 925 HB3 SER 127 2HB SER 127 10.155 5.867 15.341 926 HG SER 127 HG SER 127 11.921 6.806 16.015 927 H LEU 128 H LEU 128 8.638 7.097 13.750 928 HA LEU 128 HA LEU 128 10.416 9.106 12.725 929 HB2 LEU 128 1HB LEU 128 8.636 7.025 11.592 930 HB3 LEU 128 2HB LEU 128 9.034 8.394 10.556 931 HG LEU 128 HG LEU 128 11.226 6.873 11.904 932 HD11 LEU 128 1HD1 LEU 128 9.428 5.874 9.798 933 HD12 LEU 128 2HD1 LEU 128 10.445 4.995 10.939 934 HD13 LEU 128 3HD1 LEU 128 11.154 5.696 9.484 935 HD21 LEU 128 1HD2 LEU 128 12.195 8.614 10.819 936 HD22 LEU 128 2HD2 LEU 128 10.896 8.745 9.633 937 HD23 LEU 128 3HD2 LEU 128 12.118 7.483 9.468 938 H GLU 129 H GLU 129 7.048 8.905 13.504 939 HA GLU 129 HA GLU 129 6.697 11.655 12.516 940 HB2 GLU 129 1HB GLU 129 4.723 9.376 12.325 941 HB3 GLU 129 2HB GLU 129 4.310 11.059 12.030 942 HG2 GLU 129 1HG GLU 129 6.009 9.218 10.412 943 HG3 GLU 129 2HG GLU 129 4.663 10.237 9.906 944 HA PRO 130 HA PRO 130 5.796 11.626 17.007 945 HB2 PRO 130 1HB PRO 130 6.663 14.168 17.404 946 HB3 PRO 130 2HB PRO 130 7.750 12.774 17.382 947 HG2 PRO 130 1HG PRO 130 7.160 14.750 15.212 948 HG3 PRO 130 2HG PRO 130 8.720 14.070 15.713 949 HD2 PRO 130 1HD PRO 130 7.364 13.168 13.549 950 HD3 PRO 130 2HD PRO 130 8.382 12.110 14.548 951 H LYS 131 H LYS 131 4.720 13.457 14.325 952 HA LYS 131 HA LYS 131 2.744 14.935 15.886 953 HB2 LYS 131 1HB LYS 131 2.195 16.037 13.759 954 HB3 LYS 131 2HB LYS 131 3.912 16.150 14.122 955 HG2 LYS 131 1HG LYS 131 4.063 14.008 12.629 956 HG3 LYS 131 2HG LYS 131 2.519 14.590 12.003 957 HD2 LYS 131 1HD LYS 131 4.171 15.508 10.589 958 HD3 LYS 131 2HD LYS 131 3.666 16.825 11.650 959 HE2 LYS 131 1HE LYS 131 5.647 16.040 13.133 960 HE3 LYS 131 2HE LYS 131 6.209 15.248 11.662 961 HZ1 LYS 131 1HZ LYS 131 7.022 17.176 10.988 962 HZ2 LYS 131 2HZ LYS 131 6.458 17.942 12.386 963 HZ3 LYS 131 3HZ LYS 131 5.476 17.864 11.011 964 H ASN 132 H ASN 132 2.876 12.551 13.255 965 HA ASN 132 HA ASN 132 0.193 12.205 12.763 966 HB2 ASN 132 1HB ASN 132 2.541 10.345 12.657 967 HB3 ASN 132 2HB ASN 132 0.922 9.714 12.368 968 HD21 ASN 132 1HD2 ASN 132 -0.243 10.441 10.568 969 HD22 ASN 132 2HD2 ASN 132 0.545 11.190 9.225 970 H LYS 133 H LYS 133 -1.203 12.241 14.457 971 HA LYS 133 HA LYS 133 -0.786 10.753 16.860 972 HB2 LYS 133 1HB LYS 133 -3.223 12.158 15.758 973 HB3 LYS 133 2HB LYS 133 -3.160 11.411 17.349 974 HG2 LYS 133 1HG LYS 133 -1.163 12.926 17.801 975 HG3 LYS 133 2HG LYS 133 -1.653 13.804 16.349 976 HD2 LYS 133 1HD LYS 133 -4.004 13.784 17.533 977 HD3 LYS 133 2HD LYS 133 -3.027 13.562 18.985 978 HE2 LYS 133 1HE LYS 133 -1.730 15.576 18.372 979 HE3 LYS 133 2HE LYS 133 -2.797 15.812 16.989 980 HZ1 LYS 133 1HZ LYS 133 -4.665 15.984 18.557 981 HZ2 LYS 133 2HZ LYS 133 -3.508 17.194 18.798 982 HZ3 LYS 133 3HZ LYS 133 -3.582 15.873 19.852 983 H VAL 134 H VAL 134 -2.505 10.208 13.857 984 HA VAL 134 HA VAL 134 -4.222 8.168 14.477 985 HB VAL 134 HB VAL 134 -3.916 7.319 12.197 986 HG11 VAL 134 1HG1 VAL 134 -4.442 10.087 12.891 987 HG12 VAL 134 2HG1 VAL 134 -3.894 9.908 11.223 988 HG13 VAL 134 3HG1 VAL 134 -5.306 9.015 11.790 989 HG21 VAL 134 1HG2 VAL 134 -1.719 9.334 11.831 990 HG22 VAL 134 2HG2 VAL 134 -1.389 7.659 12.271 991 HG23 VAL 134 3HG2 VAL 134 -2.204 8.027 10.751 992 H PHE 135 H PHE 135 -0.753 8.090 14.424 993 HA PHE 135 HA PHE 135 -0.548 5.221 14.398 994 HB2 PHE 135 1HB PHE 135 1.537 7.291 15.121 995 HB3 PHE 135 2HB PHE 135 1.838 5.591 14.775 996 HD1 PHE 135 1HD PHE 135 -0.131 5.399 12.440 997 HD2 PHE 135 2HD PHE 135 2.918 8.202 13.423 998 HE1 PHE 135 1HE PHE 135 0.142 5.933 10.054 999 HE2 PHE 135 2HE PHE 135 3.196 8.741 11.038 1000 HZ PHE 135 HZ PHE 135 1.806 7.607 9.351 1001 H GLN 136 H GLN 136 -0.127 7.768 16.841 1002 HA GLN 136 HA GLN 136 0.499 6.086 18.993 1003 HB2 GLN 136 1HB GLN 136 -0.866 8.782 18.989 1004 HB3 GLN 136 2HB GLN 136 -0.222 7.989 20.421 1005 HG2 GLN 136 1HG GLN 136 2.020 8.051 19.437 1006 HG3 GLN 136 2HG GLN 136 1.366 8.875 18.023 1007 HE21 GLN 136 1HE2 GLN 136 2.579 10.714 18.295 1008 HE22 GLN 136 2HE2 GLN 136 2.319 11.830 19.587 1009 H GLU 137 H GLU 137 -2.562 7.002 17.575 1010 HA GLU 137 HA GLU 137 -4.135 5.928 19.737 1011 HB2 GLU 137 1HB GLU 137 -5.989 6.717 18.610 1012 HB3 GLU 137 2HB GLU 137 -4.743 7.811 18.024 1013 HG2 GLU 137 1HG GLU 137 -4.564 6.621 15.965 1014 HG3 GLU 137 2HG GLU 137 -5.615 5.336 16.557 1015 H ALA 138 H ALA 138 -3.084 4.878 16.544 1016 HA ALA 138 HA ALA 138 -4.669 2.518 16.465 1017 HB1 ALA 138 1HB ALA 138 -2.139 3.182 14.963 1018 HB2 ALA 138 2HB ALA 138 -3.254 1.869 14.582 1019 HB3 ALA 138 3HB ALA 138 -3.783 3.546 14.437 1020 H LEU 139 H LEU 139 -1.659 3.340 17.951 1021 HA LEU 139 HA LEU 139 -0.623 0.697 18.193 1022 HB2 LEU 139 1HB LEU 139 0.579 2.977 18.413 1023 HB3 LEU 139 2HB LEU 139 0.020 2.929 20.084 1024 HG LEU 139 HG LEU 139 2.232 2.136 20.128 1025 HD11 LEU 139 1HD1 LEU 139 2.001 0.051 21.112 1026 HD12 LEU 139 2HD1 LEU 139 0.739 -0.453 19.989 1027 HD13 LEU 139 3HD1 LEU 139 0.378 0.729 21.248 1028 HD21 LEU 139 1HD2 LEU 139 1.459 0.518 17.716 1029 HD22 LEU 139 2HD2 LEU 139 2.910 0.179 18.660 1030 HD23 LEU 139 3HD2 LEU 139 2.723 1.740 17.859 1031 H ARG 140 H ARG 140 -2.201 2.875 20.535 1032 HA ARG 140 HA ARG 140 -2.384 0.902 22.570 1033 HB2 ARG 140 1HB ARG 140 -3.671 3.587 22.147 1034 HB3 ARG 140 2HB ARG 140 -4.126 2.566 23.504 1035 HG2 ARG 140 1HG ARG 140 -1.575 2.499 23.977 1036 HG3 ARG 140 2HG ARG 140 -1.534 3.939 22.957 1037 HD2 ARG 140 1HD ARG 140 -3.407 4.826 24.461 1038 HD3 ARG 140 2HD ARG 140 -2.965 3.523 25.564 1039 HE ARG 140 HE ARG 140 -0.668 4.995 24.840 1040 HH11 ARG 140 2HH1 ARG 140 -3.557 5.233 26.768 1041 HH12 ARG 140 1HH1 ARG 140 -2.862 6.336 27.908 1042 HH21 ARG 140 2HH2 ARG 140 0.258 6.447 26.335 1043 HH22 ARG 140 1HH2 ARG 140 -0.692 7.028 27.660 1044 H ASN 141 H ASN 141 -4.293 1.651 19.802 1045 HA ASN 141 HA ASN 141 -6.792 0.669 20.618 1046 HB2 ASN 141 1HB ASN 141 -5.454 1.003 17.952 1047 HB3 ASN 141 2HB ASN 141 -7.012 0.190 18.060 1048 HD21 ASN 141 1HD2 ASN 141 -6.959 2.371 16.582 1049 HD22 ASN 141 2HD2 ASN 141 -7.714 3.705 17.379 1050 H ILE 142 H ILE 142 -3.960 -0.950 19.281 1051 HA ILE 142 HA ILE 142 -5.338 -3.532 19.454 1052 HB ILE 142 HB ILE 142 -3.619 -4.459 18.104 1053 HG12 ILE 142 1HG1 ILE 142 -2.128 -1.850 18.467 1054 HG13 ILE 142 2HG1 ILE 142 -1.698 -3.394 19.197 1055 HG21 ILE 142 1HG2 ILE 142 -4.295 -3.512 16.192 1056 HG22 ILE 142 2HG2 ILE 142 -5.254 -2.454 17.226 1057 HG23 ILE 142 3HG2 ILE 142 -3.675 -1.926 16.648 1058 HD11 ILE 142 1HD1 ILE 142 -1.825 -2.966 16.228 1059 HD12 ILE 142 2HD1 ILE 142 -0.363 -2.722 17.185 1060 HD13 ILE 142 3HD1 ILE 142 -1.109 -4.318 17.104 1061 H SER 143 H SER 143 -2.802 -1.652 20.906 1062 HA SER 143 HA SER 143 -1.451 -3.747 22.243 1063 HB2 SER 143 1HB SER 143 -0.629 -1.359 21.871 1064 HB3 SER 143 2HB SER 143 -1.654 -0.901 23.231 1065 HG SER 143 HG SER 143 -0.421 -2.109 24.579 1066 H GLY 144 H GLY 144 -4.250 -1.781 23.053 1067 HA2 GLY 144 1HA GLY 144 -4.547 -2.203 25.742 1068 HA3 GLY 144 2HA GLY 144 -5.899 -2.132 24.622 1069 HA PRO 145 HA PRO 145 -5.068 -6.502 26.462 1070 HB2 PRO 145 1HB PRO 145 -6.590 -6.415 28.708 1071 HB3 PRO 145 2HB PRO 145 -4.869 -6.010 28.697 1072 HG2 PRO 145 1HG PRO 145 -7.245 -4.189 28.641 1073 HG3 PRO 145 2HG PRO 145 -5.744 -4.041 29.574 1074 HD2 PRO 145 1HD PRO 145 -6.186 -2.648 27.295 1075 HD3 PRO 145 2HD PRO 145 -4.568 -3.190 27.784 1076 H SER 146 H SER 146 -7.782 -4.398 26.000 1077 HA SER 146 HA SER 146 -9.953 -6.071 26.227 1078 HB2 SER 146 1HB SER 146 -9.339 -3.735 24.463 1079 HB3 SER 146 2HB SER 146 -10.806 -4.663 24.157 1080 HG SER 146 HG SER 146 -11.437 -4.255 26.301 1081 H SER 147 H SER 147 -11.086 -7.427 24.808 1082 HA SER 147 HA SER 147 -9.374 -8.891 22.981 1083 HB2 SER 147 1HB SER 147 -11.188 -10.526 22.904 1084 HB3 SER 147 2HB SER 147 -10.833 -10.098 24.577 1085 HG SER 147 HG SER 147 -12.794 -8.631 23.235 1086 H GLY 148 H GLY 148 -9.926 -9.357 20.797 1087 HA2 GLY 148 1HA GLY 148 -10.862 -8.947 18.721 1088 HA3 GLY 148 2HA GLY 148 -12.096 -7.977 19.510 Start of MODEL 12 1 H1 GLY 1 H GLY 1 1.512 -13.848 -60.613 2 HA2 GLY 1 1HA GLY 1 0.780 -11.303 -59.582 3 HA3 GLY 1 2HA GLY 1 -0.602 -12.388 -59.571 4 H SER 2 H SER 2 0.721 -11.216 -57.294 5 HA SER 2 HA SER 2 1.091 -13.622 -55.753 6 HB2 SER 2 1HB SER 2 3.380 -11.741 -56.293 7 HB3 SER 2 2HB SER 2 3.318 -12.706 -54.818 8 HG SER 2 HG SER 2 3.537 -14.523 -55.973 9 H SER 3 H SER 3 1.742 -12.928 -53.396 10 HA SER 3 HA SER 3 0.673 -10.322 -52.668 11 HB2 SER 3 1HB SER 3 -0.569 -12.915 -51.719 12 HB3 SER 3 2HB SER 3 -0.919 -11.329 -51.032 13 HG SER 3 HG SER 3 -2.445 -11.455 -52.521 14 H GLY 4 H GLY 4 0.749 -10.082 -50.185 15 HA2 GLY 4 1HA GLY 4 2.786 -11.713 -48.900 16 HA3 GLY 4 2HA GLY 4 3.235 -10.042 -49.209 17 H SER 5 H SER 5 3.458 -9.798 -46.913 18 HA SER 5 HA SER 5 0.869 -9.308 -45.607 19 HB2 SER 5 1HB SER 5 1.598 -10.258 -43.555 20 HB3 SER 5 2HB SER 5 2.035 -11.430 -44.798 21 HG SER 5 HG SER 5 3.793 -11.144 -43.454 22 H SER 6 H SER 6 1.207 -7.919 -43.576 23 HA SER 6 HA SER 6 3.386 -5.990 -43.943 24 HB2 SER 6 1HB SER 6 1.764 -4.123 -43.590 25 HB3 SER 6 2HB SER 6 1.502 -4.998 -45.098 26 HG SER 6 HG SER 6 0.067 -5.369 -42.675 27 H GLY 7 H GLY 7 3.212 -4.300 -42.034 28 HA2 GLY 7 1HA GLY 7 2.078 -4.810 -39.597 29 HA3 GLY 7 2HA GLY 7 3.499 -5.844 -39.632 30 H MET 8 H MET 8 3.406 -4.013 -37.687 31 HA MET 8 HA MET 8 5.754 -2.509 -38.096 32 HB2 MET 8 1HB MET 8 4.235 -1.075 -39.406 33 HB3 MET 8 2HB MET 8 3.204 -0.888 -37.994 34 HG2 MET 8 1HG MET 8 6.070 -0.147 -37.759 35 HG3 MET 8 2HG MET 8 4.990 0.923 -38.650 36 HE1 MET 8 1HE MET 8 2.763 2.535 -36.285 37 HE2 MET 8 2HE MET 8 4.290 3.175 -36.892 38 HE3 MET 8 3HE MET 8 3.279 2.171 -37.932 39 H THR 9 H THR 9 6.688 -2.256 -36.170 40 HA THR 9 HA THR 9 5.163 -1.653 -33.800 41 HB THR 9 HB THR 9 6.663 -4.277 -33.909 42 HG1 THR 9 1HG THR 9 4.296 -4.913 -33.397 43 HG21 THR 9 1HG2 THR 9 6.338 -2.742 -31.733 44 HG22 THR 9 2HG2 THR 9 6.317 -4.505 -31.675 45 HG23 THR 9 3HG2 THR 9 4.801 -3.605 -31.709 46 H VAL 10 H VAL 10 6.345 -0.324 -32.596 47 HA VAL 10 HA VAL 10 9.245 -0.686 -32.454 48 HB VAL 10 HB VAL 10 7.926 1.935 -33.174 49 HG11 VAL 10 1HG1 VAL 10 10.487 2.528 -33.381 50 HG12 VAL 10 2HG1 VAL 10 9.635 2.670 -31.841 51 HG13 VAL 10 3HG1 VAL 10 10.642 1.258 -32.167 52 HG21 VAL 10 1HG2 VAL 10 10.049 0.535 -34.755 53 HG22 VAL 10 2HG2 VAL 10 8.349 0.106 -34.952 54 HG23 VAL 10 3HG2 VAL 10 8.887 1.753 -35.282 55 H SER 11 H SER 11 10.182 0.032 -30.555 56 HA SER 11 HA SER 11 8.802 1.634 -28.644 57 HB2 SER 11 1HB SER 11 7.559 -0.496 -28.371 58 HB3 SER 11 2HB SER 11 9.076 -1.311 -27.994 59 HG SER 11 HG SER 11 9.194 -0.255 -26.102 60 H GLY 12 H GLY 12 10.058 1.992 -26.699 61 HA2 GLY 12 1HA GLY 12 12.703 0.850 -26.513 62 HA3 GLY 12 2HA GLY 12 12.692 2.524 -27.048 63 HA PRO 13 HA PRO 13 12.141 1.942 -22.296 64 HB2 PRO 13 1HB PRO 13 14.725 1.879 -21.467 65 HB3 PRO 13 2HB PRO 13 13.797 0.419 -21.831 66 HG2 PRO 13 1HG PRO 13 15.790 1.869 -23.530 67 HG3 PRO 13 2HG PRO 13 15.597 0.125 -23.274 68 HD2 PRO 13 1HD PRO 13 14.661 1.386 -25.480 69 HD3 PRO 13 2HD PRO 13 13.855 -0.030 -24.775 70 H GLY 14 H GLY 14 13.404 3.417 -20.598 71 HA2 GLY 14 1HA GLY 14 14.860 5.596 -20.982 72 HA3 GLY 14 2HA GLY 14 13.373 6.086 -21.781 73 H THR 15 H THR 15 15.006 6.500 -19.047 74 HA THR 15 HA THR 15 12.565 6.685 -17.403 75 HB THR 15 HB THR 15 14.065 5.010 -16.470 76 HG1 THR 15 1HG THR 15 13.892 5.784 -14.455 77 HG21 THR 15 1HG2 THR 15 16.278 5.216 -16.609 78 HG22 THR 15 2HG2 THR 15 16.219 6.620 -15.543 79 HG23 THR 15 3HG2 THR 15 16.087 6.831 -17.289 80 HA PRO 16 HA PRO 16 14.222 10.964 -18.069 81 HB2 PRO 16 1HB PRO 16 11.786 12.088 -18.487 82 HB3 PRO 16 2HB PRO 16 12.733 11.340 -19.778 83 HG2 PRO 16 1HG PRO 16 10.447 10.212 -18.209 84 HG3 PRO 16 2HG PRO 16 10.768 10.107 -19.949 85 HD2 PRO 16 1HD PRO 16 11.317 8.079 -18.242 86 HD3 PRO 16 2HD PRO 16 12.290 8.395 -19.693 87 H GLU 17 H GLU 17 13.483 13.005 -16.924 88 HA GLU 17 HA GLU 17 12.951 12.337 -14.147 89 HB2 GLU 17 1HB GLU 17 13.671 14.566 -13.632 90 HB3 GLU 17 2HB GLU 17 14.794 13.892 -14.803 91 HG2 GLU 17 1HG GLU 17 13.858 15.176 -16.567 92 HG3 GLU 17 2HG GLU 17 12.505 15.685 -15.559 93 HA PRO 18 HA PRO 18 8.735 13.559 -14.069 94 HB2 PRO 18 1HB PRO 18 8.533 14.518 -11.537 95 HB3 PRO 18 2HB PRO 18 8.687 12.795 -11.902 96 HG2 PRO 18 1HG PRO 18 10.788 14.742 -11.032 97 HG3 PRO 18 2HG PRO 18 10.515 13.076 -10.491 98 HD2 PRO 18 1HD PRO 18 12.426 13.727 -12.296 99 HD3 PRO 18 2HD PRO 18 11.569 12.173 -12.332 100 H ARG 19 H ARG 19 8.764 15.268 -15.587 101 HA ARG 19 HA ARG 19 8.824 17.947 -14.365 102 HB2 ARG 19 1HB ARG 19 10.100 16.949 -16.860 103 HB3 ARG 19 2HB ARG 19 9.408 18.565 -16.898 104 HG2 ARG 19 1HG ARG 19 10.777 19.111 -14.881 105 HG3 ARG 19 2HG ARG 19 11.569 17.545 -15.073 106 HD2 ARG 19 1HD ARG 19 11.504 19.750 -17.131 107 HD3 ARG 19 2HD ARG 19 12.869 19.364 -16.084 108 HE ARG 19 HE ARG 19 12.457 17.028 -17.317 109 HH11 ARG 19 2HH1 ARG 19 12.676 20.277 -18.548 110 HH12 ARG 19 1HH1 ARG 19 13.323 19.792 -20.080 111 HH21 ARG 19 2HH2 ARG 19 13.307 16.377 -19.330 112 HH22 ARG 19 1HH2 ARG 19 13.680 17.573 -20.525 113 HA PRO 20 HA PRO 20 4.810 18.668 -15.980 114 HB2 PRO 20 1HB PRO 20 4.947 21.260 -16.776 115 HB3 PRO 20 2HB PRO 20 4.924 20.777 -15.076 116 HG2 PRO 20 1HG PRO 20 7.252 21.532 -16.799 117 HG3 PRO 20 2HG PRO 20 6.903 21.998 -15.124 118 HD2 PRO 20 1HD PRO 20 8.665 20.041 -15.755 119 HD3 PRO 20 2HD PRO 20 7.687 20.004 -14.274 120 H ALA 21 H ALA 21 4.234 17.620 -17.791 121 HA ALA 21 HA ALA 21 4.738 18.896 -20.352 122 HB1 ALA 21 1HB ALA 21 6.598 17.526 -20.481 123 HB2 ALA 21 2HB ALA 21 5.812 16.203 -19.619 124 HB3 ALA 21 3HB ALA 21 5.361 16.560 -21.287 125 H THR 22 H THR 22 3.724 17.188 -22.101 126 HA THR 22 HA THR 22 1.075 16.453 -21.035 127 HB THR 22 HB THR 22 0.925 18.480 -22.422 128 HG1 THR 22 1HG THR 22 -0.854 17.107 -22.490 129 HG21 THR 22 1HG2 THR 22 2.068 18.727 -24.320 130 HG22 THR 22 2HG2 THR 22 1.341 17.269 -24.996 131 HG23 THR 22 3HG2 THR 22 2.810 17.154 -24.028 132 HA PRO 23 HA PRO 23 3.260 12.942 -23.370 133 HB2 PRO 23 1HB PRO 23 3.683 11.310 -21.242 134 HB3 PRO 23 2HB PRO 23 4.859 12.515 -21.776 135 HG2 PRO 23 1HG PRO 23 2.867 12.671 -19.547 136 HG3 PRO 23 2HG PRO 23 4.563 13.188 -19.570 137 HD2 PRO 23 1HD PRO 23 2.507 14.925 -19.863 138 HD3 PRO 23 2HD PRO 23 4.078 15.162 -20.655 139 H GLY 24 H GLY 24 2.348 10.866 -23.772 140 HA2 GLY 24 1HA GLY 24 -0.424 10.714 -23.684 141 HA3 GLY 24 2HA GLY 24 0.641 9.343 -23.957 142 H ALA 25 H ALA 25 -1.344 8.406 -22.789 143 HA ALA 25 HA ALA 25 -1.304 8.769 -19.908 144 HB1 ALA 25 1HB ALA 25 -3.273 8.080 -21.733 145 HB2 ALA 25 2HB ALA 25 -2.955 6.585 -20.852 146 HB3 ALA 25 3HB ALA 25 -3.408 8.047 -19.975 147 H SER 26 H SER 26 0.997 7.567 -21.376 148 HA SER 26 HA SER 26 0.995 4.842 -20.296 149 HB2 SER 26 1HB SER 26 3.110 4.593 -21.623 150 HB3 SER 26 2HB SER 26 1.693 4.972 -22.602 151 HG SER 26 HG SER 26 3.973 6.438 -22.162 152 H SER 27 H SER 27 2.787 7.884 -20.155 153 HA SER 27 HA SER 27 4.899 7.128 -18.533 154 HB2 SER 27 1HB SER 27 3.401 9.734 -18.776 155 HB3 SER 27 2HB SER 27 4.797 9.559 -17.713 156 HG SER 27 HG SER 27 4.661 9.470 -20.513 157 H VAL 28 H VAL 28 5.031 6.384 -16.527 158 HA VAL 28 HA VAL 28 2.916 5.733 -14.904 159 HB VAL 28 HB VAL 28 4.884 4.710 -14.267 160 HG11 VAL 28 1HG1 VAL 28 6.074 7.176 -15.109 161 HG12 VAL 28 2HG1 VAL 28 6.736 6.697 -13.545 162 HG13 VAL 28 3HG1 VAL 28 6.817 5.589 -14.915 163 HG21 VAL 28 1HG2 VAL 28 3.581 6.143 -12.377 164 HG22 VAL 28 2HG2 VAL 28 4.893 5.015 -12.035 165 HG23 VAL 28 3HG2 VAL 28 5.227 6.742 -12.168 166 H GLU 29 H GLU 29 4.964 8.637 -14.647 167 HA GLU 29 HA GLU 29 3.901 9.846 -12.448 168 HB2 GLU 29 1HB GLU 29 5.741 10.867 -13.577 169 HB3 GLU 29 2HB GLU 29 4.802 11.079 -15.048 170 HG2 GLU 29 1HG GLU 29 3.473 12.778 -14.056 171 HG3 GLU 29 2HG GLU 29 4.136 12.445 -12.457 172 H GLN 30 H GLN 30 2.602 9.975 -15.748 173 HA GLN 30 HA GLN 30 0.379 11.619 -15.040 174 HB2 GLN 30 1HB GLN 30 1.142 11.674 -17.308 175 HB3 GLN 30 2HB GLN 30 0.975 9.931 -17.469 176 HG2 GLN 30 1HG GLN 30 -0.846 10.844 -18.619 177 HG3 GLN 30 2HG GLN 30 -1.501 10.266 -17.087 178 HE21 GLN 30 1HE2 GLN 30 -0.614 13.073 -18.953 179 HE22 GLN 30 2HE2 GLN 30 -1.494 14.223 -18.011 180 H LEU 31 H LEU 31 0.258 8.331 -16.398 181 HA LEU 31 HA LEU 31 -2.249 7.594 -15.808 182 HB2 LEU 31 1HB LEU 31 -1.608 5.425 -16.065 183 HB3 LEU 31 2HB LEU 31 -0.188 6.240 -16.717 184 HG LEU 31 HG LEU 31 0.723 5.984 -14.281 185 HD11 LEU 31 1HD1 LEU 31 -1.676 4.983 -13.732 186 HD12 LEU 31 2HD1 LEU 31 -0.215 4.441 -12.908 187 HD13 LEU 31 3HD1 LEU 31 -0.879 3.493 -14.238 188 HD21 LEU 31 1HD2 LEU 31 0.521 3.495 -15.953 189 HD22 LEU 31 2HD2 LEU 31 1.860 4.032 -14.938 190 HD23 LEU 31 3HD2 LEU 31 1.495 4.883 -16.439 191 H ARG 32 H ARG 32 0.386 7.804 -13.482 192 HA ARG 32 HA ARG 32 -0.447 6.547 -11.276 193 HB2 ARG 32 1HB ARG 32 1.498 8.173 -11.508 194 HB3 ARG 32 2HB ARG 32 0.351 9.451 -11.127 195 HG2 ARG 32 1HG ARG 32 0.639 7.101 -9.305 196 HG3 ARG 32 2HG ARG 32 1.800 8.429 -9.245 197 HD2 ARG 32 1HD ARG 32 -0.415 9.876 -9.180 198 HD3 ARG 32 2HD ARG 32 -1.084 8.383 -8.524 199 HE ARG 32 HE ARG 32 0.116 8.721 -6.593 200 HH11 ARG 32 2HH1 ARG 32 1.228 10.907 -9.064 201 HH12 ARG 32 1HH1 ARG 32 2.203 11.843 -7.980 202 HH21 ARG 32 2HH2 ARG 32 1.396 9.946 -5.156 203 HH22 ARG 32 1HH2 ARG 32 2.299 11.295 -5.758 204 H LYS 33 H LYS 33 -1.810 9.604 -12.439 205 HA LYS 33 HA LYS 33 -3.571 10.097 -10.331 206 HB2 LYS 33 1HB LYS 33 -4.058 10.734 -13.245 207 HB3 LYS 33 2HB LYS 33 -4.764 11.547 -11.854 208 HG2 LYS 33 1HG LYS 33 -1.808 11.503 -12.388 209 HG3 LYS 33 2HG LYS 33 -2.884 12.755 -13.012 210 HD2 LYS 33 1HD LYS 33 -2.250 13.767 -11.072 211 HD3 LYS 33 2HD LYS 33 -3.625 12.844 -10.461 212 HE2 LYS 33 1HE LYS 33 -1.805 10.992 -10.082 213 HE3 LYS 33 2HE LYS 33 -0.702 12.366 -10.108 214 HZ1 LYS 33 1HZ LYS 33 -2.764 13.128 -8.465 215 HZ2 LYS 33 2HZ LYS 33 -1.214 12.655 -7.984 216 HZ3 LYS 33 3HZ LYS 33 -2.464 11.517 -8.044 217 H GLU 34 H GLU 34 -4.067 8.260 -13.330 218 HA GLU 34 HA GLU 34 -6.713 7.663 -13.226 219 HB2 GLU 34 1HB GLU 34 -5.354 6.834 -15.022 220 HB3 GLU 34 2HB GLU 34 -4.416 5.833 -13.922 221 HG2 GLU 34 1HG GLU 34 -6.026 4.230 -13.777 222 HG3 GLU 34 2HG GLU 34 -7.341 5.366 -14.071 223 H GLY 35 H GLY 35 -4.147 6.050 -11.378 224 HA2 GLY 35 1HA GLY 35 -5.749 4.103 -10.146 225 HA3 GLY 35 2HA GLY 35 -4.230 4.719 -9.512 226 H ASN 36 H ASN 36 -4.531 7.111 -8.659 227 HA ASN 36 HA ASN 36 -6.051 6.967 -6.340 228 HB2 ASN 36 1HB ASN 36 -4.983 9.368 -7.833 229 HB3 ASN 36 2HB ASN 36 -5.722 9.471 -6.237 230 HD21 ASN 36 1HD2 ASN 36 -2.956 9.966 -7.272 231 HD22 ASN 36 2HD2 ASN 36 -1.931 9.042 -6.232 232 H GLU 37 H GLU 37 -6.764 8.852 -9.285 233 HA GLU 37 HA GLU 37 -9.127 10.003 -8.681 234 HB2 GLU 37 1HB GLU 37 -8.293 8.632 -11.229 235 HB3 GLU 37 2HB GLU 37 -9.808 9.513 -11.100 236 HG2 GLU 37 1HG GLU 37 -8.323 11.460 -10.268 237 HG3 GLU 37 2HG GLU 37 -7.010 10.548 -11.010 238 H LEU 38 H LEU 38 -8.645 6.596 -9.454 239 HA LEU 38 HA LEU 38 -11.454 5.981 -9.324 240 HB2 LEU 38 1HB LEU 38 -8.966 4.312 -9.544 241 HB3 LEU 38 2HB LEU 38 -10.565 3.592 -9.362 242 HG LEU 38 HG LEU 38 -10.059 5.514 -11.594 243 HD11 LEU 38 1HD1 LEU 38 -9.048 2.711 -11.375 244 HD12 LEU 38 2HD1 LEU 38 -8.261 4.139 -12.045 245 HD13 LEU 38 3HD1 LEU 38 -9.563 3.352 -12.936 246 HD21 LEU 38 1HD2 LEU 38 -12.250 4.095 -10.738 247 HD22 LEU 38 2HD2 LEU 38 -11.618 3.093 -12.045 248 HD23 LEU 38 3HD2 LEU 38 -12.030 4.782 -12.348 249 H PHE 39 H PHE 39 -8.718 5.919 -7.159 250 HA PHE 39 HA PHE 39 -9.826 4.257 -5.162 251 HB2 PHE 39 1HB PHE 39 -7.383 5.068 -5.470 252 HB3 PHE 39 2HB PHE 39 -7.901 6.487 -4.565 253 HD1 PHE 39 2HD PHE 39 -8.644 6.262 -2.229 254 HD2 PHE 39 1HD PHE 39 -7.039 2.973 -4.403 255 HE1 PHE 39 2HE PHE 39 -8.274 5.052 -0.119 256 HE2 PHE 39 1HE PHE 39 -6.668 1.757 -2.297 257 HZ PHE 39 HZ PHE 39 -7.285 2.797 -0.151 258 H LYS 40 H LYS 40 -9.676 7.800 -5.457 259 HA LYS 40 HA LYS 40 -11.058 8.413 -3.104 260 HB2 LYS 40 1HB LYS 40 -11.478 10.608 -4.135 261 HB3 LYS 40 2HB LYS 40 -9.810 10.093 -4.350 262 HG2 LYS 40 1HG LYS 40 -10.591 9.224 -6.639 263 HG3 LYS 40 2HG LYS 40 -12.009 10.243 -6.376 264 HD2 LYS 40 1HD LYS 40 -10.132 12.034 -5.795 265 HD3 LYS 40 2HD LYS 40 -9.178 11.002 -6.864 266 HE2 LYS 40 1HE LYS 40 -10.439 11.509 -8.703 267 HE3 LYS 40 2HE LYS 40 -11.896 11.807 -7.757 268 HZ1 LYS 40 1HZ LYS 40 -10.461 13.744 -8.844 269 HZ2 LYS 40 2HZ LYS 40 -9.685 13.653 -7.344 270 HZ3 LYS 40 3HZ LYS 40 -11.348 13.954 -7.418 271 H CYS 41 H CYS 41 -12.174 6.861 -5.858 272 HA CYS 41 HA CYS 41 -14.947 7.722 -5.423 273 HB2 CYS 41 1HB CYS 41 -13.823 7.692 -7.754 274 HB3 CYS 41 2HB CYS 41 -14.028 5.947 -7.670 275 HG CYS 41 HG CYS 41 -16.560 5.857 -8.216 276 H GLY 42 H GLY 42 -12.782 5.035 -5.103 277 HA2 GLY 42 1HA GLY 42 -13.458 3.386 -3.396 278 HA3 GLY 42 2HA GLY 42 -15.045 3.389 -4.151 279 H ASP 43 H ASP 43 -14.026 3.398 -6.864 280 HA ASP 43 HA ASP 43 -14.014 0.713 -7.448 281 HB2 ASP 43 1HB ASP 43 -14.235 2.702 -9.044 282 HB3 ASP 43 2HB ASP 43 -12.474 2.715 -9.095 283 H TYR 44 H TYR 44 -12.691 -0.537 -6.176 284 HA TYR 44 HA TYR 44 -9.886 0.036 -5.894 285 HB2 TYR 44 1HB TYR 44 -11.384 -2.489 -5.167 286 HB3 TYR 44 2HB TYR 44 -9.791 -2.011 -4.593 287 HD1 TYR 44 1HD TYR 44 -10.074 0.729 -3.790 288 HD2 TYR 44 2HD TYR 44 -12.862 -2.461 -3.393 289 HE1 TYR 44 1HE TYR 44 -11.105 1.876 -1.874 290 HE2 TYR 44 2HE TYR 44 -13.901 -1.322 -1.477 291 HH TYR 44 HH TYR 44 -13.382 1.880 -0.738 292 H GLY 45 H GLY 45 -11.837 -2.364 -7.638 293 HA2 GLY 45 1HA GLY 45 -9.855 -3.961 -8.693 294 HA3 GLY 45 2HA GLY 45 -11.360 -3.591 -9.522 295 H GLY 46 H GLY 46 -10.910 -0.785 -9.826 296 HA2 GLY 46 1HA GLY 46 -9.172 -0.898 -12.140 297 HA3 GLY 46 2HA GLY 46 -10.175 0.459 -11.651 298 H ALA 47 H ALA 47 -9.374 1.294 -9.331 299 HA ALA 47 HA ALA 47 -7.194 2.826 -9.618 300 HB1 ALA 47 1HB ALA 47 -7.339 3.299 -7.408 301 HB2 ALA 47 2HB ALA 47 -8.841 2.386 -7.561 302 HB3 ALA 47 3HB ALA 47 -7.392 1.601 -6.934 303 H LEU 48 H LEU 48 -7.098 -0.476 -8.290 304 HA LEU 48 HA LEU 48 -4.352 -0.620 -7.832 305 HB2 LEU 48 1HB LEU 48 -6.000 -2.256 -7.018 306 HB3 LEU 48 2HB LEU 48 -6.208 -2.845 -8.665 307 HG LEU 48 HG LEU 48 -4.788 -4.290 -7.209 308 HD11 LEU 48 1HD1 LEU 48 -4.479 -3.591 -9.870 309 HD12 LEU 48 2HD1 LEU 48 -3.799 -5.006 -9.067 310 HD13 LEU 48 3HD1 LEU 48 -2.842 -3.532 -9.214 311 HD21 LEU 48 1HD2 LEU 48 -2.812 -3.609 -6.303 312 HD22 LEU 48 2HD2 LEU 48 -3.696 -2.085 -6.232 313 HD23 LEU 48 3HD2 LEU 48 -2.542 -2.376 -7.534 314 H ALA 49 H ALA 49 -6.176 -1.779 -10.669 315 HA ALA 49 HA ALA 49 -4.211 -2.755 -12.252 316 HB1 ALA 49 1HB ALA 49 -6.703 -1.253 -12.845 317 HB2 ALA 49 2HB ALA 49 -5.571 -1.537 -14.168 318 HB3 ALA 49 3HB ALA 49 -6.243 -2.901 -13.274 319 H ALA 50 H ALA 50 -5.150 0.688 -12.196 320 HA ALA 50 HA ALA 50 -3.289 1.706 -13.936 321 HB1 ALA 50 1HB ALA 50 -5.134 2.767 -12.176 322 HB2 ALA 50 2HB ALA 50 -3.596 3.429 -11.621 323 HB3 ALA 50 3HB ALA 50 -4.111 3.674 -13.290 324 H TYR 51 H TYR 51 -2.879 1.264 -10.425 325 HA TYR 51 HA TYR 51 -0.288 2.230 -10.195 326 HB2 TYR 51 1HB TYR 51 -1.717 0.065 -8.651 327 HB3 TYR 51 2HB TYR 51 -0.133 0.683 -8.197 328 HD1 TYR 51 1HD TYR 51 -0.424 3.561 -8.672 329 HD2 TYR 51 2HD TYR 51 -3.172 0.784 -6.986 330 HE1 TYR 51 1HE TYR 51 -1.492 5.388 -7.419 331 HE2 TYR 51 2HE TYR 51 -4.248 2.604 -5.730 332 HH TYR 51 HH TYR 51 -4.448 5.215 -6.078 333 H THR 52 H THR 52 -1.406 -1.027 -11.011 334 HA THR 52 HA THR 52 0.939 -2.444 -10.973 335 HB THR 52 HB THR 52 -1.242 -2.659 -13.058 336 HG1 THR 52 1HG THR 52 -2.297 -3.247 -11.305 337 HG21 THR 52 1HG2 THR 52 -0.383 -5.123 -12.963 338 HG22 THR 52 2HG2 THR 52 1.106 -4.382 -12.373 339 HG23 THR 52 3HG2 THR 52 0.466 -3.938 -13.955 340 H GLN 53 H GLN 53 -0.359 -0.723 -13.820 341 HA GLN 53 HA GLN 53 1.781 -1.131 -15.528 342 HB2 GLN 53 1HB GLN 53 0.287 1.474 -15.505 343 HB3 GLN 53 2HB GLN 53 0.888 0.559 -16.882 344 HG2 GLN 53 1HG GLN 53 -0.822 -1.234 -16.082 345 HG3 GLN 53 2HG GLN 53 -1.566 0.129 -15.248 346 HE21 GLN 53 1HE2 GLN 53 -1.735 2.134 -16.733 347 HE22 GLN 53 2HE2 GLN 53 -2.392 1.831 -18.302 348 H ALA 54 H ALA 54 1.214 1.691 -13.424 349 HA ALA 54 HA ALA 54 3.387 3.224 -13.932 350 HB1 ALA 54 1HB ALA 54 3.036 2.956 -11.062 351 HB2 ALA 54 2HB ALA 54 2.752 4.344 -12.113 352 HB3 ALA 54 3HB ALA 54 1.502 3.115 -11.919 353 H LEU 55 H LEU 55 3.377 0.640 -11.467 354 HA LEU 55 HA LEU 55 6.094 0.740 -10.861 355 HB2 LEU 55 1HB LEU 55 4.097 -1.504 -10.731 356 HB3 LEU 55 2HB LEU 55 5.755 -1.677 -10.158 357 HG LEU 55 HG LEU 55 3.778 0.333 -9.085 358 HD11 LEU 55 1HD1 LEU 55 3.294 -2.165 -8.711 359 HD12 LEU 55 2HD1 LEU 55 3.321 -1.095 -7.309 360 HD13 LEU 55 3HD1 LEU 55 4.706 -2.130 -7.655 361 HD21 LEU 55 1HD2 LEU 55 6.618 -0.003 -8.803 362 HD22 LEU 55 2HD2 LEU 55 5.815 -0.233 -7.249 363 HD23 LEU 55 3HD2 LEU 55 5.570 1.260 -8.158 364 H GLY 56 H GLY 56 4.375 -1.155 -13.313 365 HA2 GLY 56 1HA GLY 56 6.405 -2.795 -14.208 366 HA3 GLY 56 2HA GLY 56 5.138 -2.147 -15.240 367 H LEU 57 H LEU 57 5.702 0.519 -15.297 368 HA LEU 57 HA LEU 57 7.817 0.636 -17.167 369 HB2 LEU 57 1HB LEU 57 6.540 2.943 -15.709 370 HB3 LEU 57 2HB LEU 57 7.407 3.005 -17.242 371 HG LEU 57 HG LEU 57 4.778 1.589 -16.805 372 HD11 LEU 57 1HD1 LEU 57 5.350 4.361 -17.136 373 HD12 LEU 57 2HD1 LEU 57 3.786 3.558 -17.010 374 HD13 LEU 57 3HD1 LEU 57 4.547 3.764 -18.588 375 HD21 LEU 57 1HD2 LEU 57 5.625 2.345 -19.503 376 HD22 LEU 57 2HD2 LEU 57 4.905 0.846 -18.915 377 HD23 LEU 57 3HD2 LEU 57 6.639 1.120 -18.740 378 H ASP 58 H ASP 58 9.808 1.764 -17.044 379 HA ASP 58 HA ASP 58 11.275 1.288 -14.678 380 HB2 ASP 58 1HB ASP 58 11.846 2.698 -17.261 381 HB3 ASP 58 2HB ASP 58 12.983 2.839 -15.923 382 H ALA 59 H ALA 59 9.915 2.416 -13.126 383 HA ALA 59 HA ALA 59 10.017 5.329 -13.191 384 HB1 ALA 59 1HB ALA 59 8.016 3.755 -12.458 385 HB2 ALA 59 2HB ALA 59 8.826 3.873 -10.895 386 HB3 ALA 59 3HB ALA 59 8.280 5.334 -11.718 387 H THR 60 H THR 60 10.949 6.588 -11.554 388 HA THR 60 HA THR 60 13.439 5.745 -10.605 389 HB THR 60 HB THR 60 13.024 7.785 -8.951 390 HG1 THR 60 1HG THR 60 11.475 9.203 -9.835 391 HG21 THR 60 1HG2 THR 60 14.225 7.450 -11.408 392 HG22 THR 60 2HG2 THR 60 14.339 8.888 -10.394 393 HG23 THR 60 3HG2 THR 60 13.136 8.809 -11.681 394 HA PRO 61 HA PRO 61 12.715 3.640 -6.824 395 HB2 PRO 61 1HB PRO 61 14.721 4.571 -5.249 396 HB3 PRO 61 2HB PRO 61 14.994 3.462 -6.599 397 HG2 PRO 61 1HG PRO 61 15.347 6.432 -6.487 398 HG3 PRO 61 2HG PRO 61 16.401 5.207 -7.217 399 HD2 PRO 61 1HD PRO 61 14.690 6.715 -8.678 400 HD3 PRO 61 2HD PRO 61 15.107 5.047 -9.118 401 H GLN 62 H GLN 62 12.290 6.960 -7.063 402 HA GLN 62 HA GLN 62 11.539 7.314 -4.262 403 HB2 GLN 62 1HB GLN 62 11.815 9.224 -6.577 404 HB3 GLN 62 2HB GLN 62 11.096 9.702 -5.045 405 HG2 GLN 62 1HG GLN 62 13.126 9.316 -3.876 406 HG3 GLN 62 2HG GLN 62 13.856 8.539 -5.280 407 HE21 GLN 62 1HE2 GLN 62 15.558 9.889 -5.547 408 HE22 GLN 62 2HE2 GLN 62 15.411 11.559 -5.961 409 H ASP 63 H ASP 63 10.126 7.295 -7.492 410 HA ASP 63 HA ASP 63 7.483 7.931 -6.556 411 HB2 ASP 63 1HB ASP 63 8.726 7.259 -9.179 412 HB3 ASP 63 2HB ASP 63 6.992 7.005 -9.007 413 H GLN 64 H GLN 64 9.287 5.023 -7.318 414 HA GLN 64 HA GLN 64 7.309 3.137 -7.557 415 HB2 GLN 64 1HB GLN 64 10.020 2.991 -6.256 416 HB3 GLN 64 2HB GLN 64 8.979 1.579 -6.384 417 HG2 GLN 64 1HG GLN 64 9.085 1.573 -8.724 418 HG3 GLN 64 2HG GLN 64 9.733 3.212 -8.781 419 HE21 GLN 64 1HE2 GLN 64 11.088 1.555 -10.233 420 HE22 GLN 64 2HE2 GLN 64 12.558 1.045 -9.483 421 H ALA 65 H ALA 65 8.840 4.168 -4.506 422 HA ALA 65 HA ALA 65 7.397 2.648 -2.728 423 HB1 ALA 65 1HB ALA 65 8.029 5.509 -2.105 424 HB2 ALA 65 2HB ALA 65 8.102 4.095 -1.052 425 HB3 ALA 65 3HB ALA 65 9.314 4.319 -2.313 426 H VAL 66 H VAL 66 6.576 5.977 -3.727 427 HA VAL 66 HA VAL 66 4.186 6.276 -2.417 428 HB VAL 66 HB VAL 66 4.868 7.259 -5.192 429 HG11 VAL 66 1HG1 VAL 66 3.168 9.100 -4.180 430 HG12 VAL 66 2HG1 VAL 66 2.674 7.772 -5.233 431 HG13 VAL 66 3HG1 VAL 66 2.500 7.625 -3.484 432 HG21 VAL 66 1HG2 VAL 66 6.325 8.565 -4.136 433 HG22 VAL 66 2HG2 VAL 66 4.961 9.346 -3.336 434 HG23 VAL 66 3HG2 VAL 66 5.781 7.992 -2.560 435 H LEU 67 H LEU 67 4.731 4.735 -5.564 436 HA LEU 67 HA LEU 67 2.013 4.201 -6.120 437 HB2 LEU 67 1HB LEU 67 4.474 2.749 -7.079 438 HB3 LEU 67 2HB LEU 67 2.865 2.624 -7.785 439 HG LEU 67 HG LEU 67 4.311 5.251 -7.664 440 HD11 LEU 67 1HD1 LEU 67 5.072 4.793 -9.975 441 HD12 LEU 67 2HD1 LEU 67 4.560 3.117 -9.777 442 HD13 LEU 67 3HD1 LEU 67 5.849 3.770 -8.767 443 HD21 LEU 67 1HD2 LEU 67 2.657 6.015 -8.979 444 HD22 LEU 67 2HD2 LEU 67 1.760 4.636 -8.343 445 HD23 LEU 67 3HD2 LEU 67 2.563 4.520 -9.910 446 H HIS 68 H HIS 68 4.593 2.127 -4.807 447 HA HIS 68 HA HIS 68 3.097 -0.186 -4.443 448 HB2 HIS 68 1HB HIS 68 5.534 0.936 -3.116 449 HB3 HIS 68 2HB HIS 68 4.781 -0.509 -2.448 450 HD1 HIS 68 1HD HIS 68 4.364 -2.438 -4.449 451 HD2 HIS 68 2HD HIS 68 7.410 0.341 -4.958 452 HE1 HIS 68 1HE HIS 68 5.919 -3.448 -6.148 453 HE2 HIS 68 2HE HIS 68 7.798 -1.787 -6.376 454 H ARG 69 H ARG 69 3.877 2.238 -1.939 455 HA ARG 69 HA ARG 69 2.362 1.290 0.124 456 HB2 ARG 69 1HB ARG 69 2.248 3.569 0.971 457 HB3 ARG 69 2HB ARG 69 3.835 3.257 0.279 458 HG2 ARG 69 1HG ARG 69 3.402 4.583 -1.600 459 HG3 ARG 69 2HG ARG 69 1.663 4.593 -1.298 460 HD2 ARG 69 1HD ARG 69 2.429 5.728 0.964 461 HD3 ARG 69 2HD ARG 69 3.832 6.167 -0.008 462 HE ARG 69 HE ARG 69 1.291 6.769 -1.233 463 HH11 ARG 69 2HH1 ARG 69 3.845 7.911 0.839 464 HH12 ARG 69 1HH1 ARG 69 3.488 9.585 0.575 465 HH21 ARG 69 2HH2 ARG 69 0.811 8.970 -1.589 466 HH22 ARG 69 1HH2 ARG 69 1.761 10.187 -0.805 467 H ASN 70 H ASN 70 1.253 2.989 -2.732 468 HA ASN 70 HA ASN 70 -1.418 3.390 -1.770 469 HB2 ASN 70 1HB ASN 70 0.033 3.833 -4.331 470 HB3 ASN 70 2HB ASN 70 -1.720 3.685 -4.412 471 HD21 ASN 70 1HD2 ASN 70 0.753 5.810 -4.105 472 HD22 ASN 70 2HD2 ASN 70 -0.081 7.124 -3.354 473 H ARG 71 H ARG 71 0.154 1.087 -3.957 474 HA ARG 71 HA ARG 71 -2.039 -0.304 -4.879 475 HB2 ARG 71 1HB ARG 71 0.800 -1.048 -4.338 476 HB3 ARG 71 2HB ARG 71 -0.341 -2.332 -4.711 477 HG2 ARG 71 1HG ARG 71 -0.958 -0.862 -6.749 478 HG3 ARG 71 2HG ARG 71 0.589 -0.074 -6.430 479 HD2 ARG 71 1HD ARG 71 0.891 -1.830 -8.061 480 HD3 ARG 71 2HD ARG 71 1.700 -2.271 -6.558 481 HE ARG 71 HE ARG 71 -0.955 -3.314 -6.711 482 HH11 ARG 71 2HH1 ARG 71 2.335 -3.823 -7.729 483 HH12 ARG 71 1HH1 ARG 71 2.149 -5.535 -7.917 484 HH21 ARG 71 2HH2 ARG 71 -1.213 -5.567 -6.955 485 HH22 ARG 71 1HH2 ARG 71 0.131 -6.526 -7.477 486 H ALA 72 H ALA 72 -0.061 -1.239 -2.057 487 HA ALA 72 HA ALA 72 -1.394 -3.348 -1.069 488 HB1 ALA 72 1HB ALA 72 -0.974 -2.163 1.268 489 HB2 ALA 72 2HB ALA 72 0.347 -2.797 0.286 490 HB3 ALA 72 3HB ALA 72 -0.027 -1.074 0.254 491 H ALA 73 H ALA 73 -2.451 0.014 -0.780 492 HA ALA 73 HA ALA 73 -4.567 -0.232 0.959 493 HB1 ALA 73 1HB ALA 73 -4.642 1.471 -1.523 494 HB2 ALA 73 2HB ALA 73 -5.461 1.759 0.013 495 HB3 ALA 73 3HB ALA 73 -3.705 1.879 -0.086 496 H CYS 74 H CYS 74 -4.810 -0.436 -2.599 497 HA CYS 74 HA CYS 74 -7.454 -1.133 -2.820 498 HB2 CYS 74 1HB CYS 74 -5.075 -1.971 -4.474 499 HB3 CYS 74 2HB CYS 74 -6.725 -2.391 -4.918 500 HG CYS 74 HG CYS 74 -5.075 0.406 -5.448 501 H HIS 75 H HIS 75 -4.696 -3.315 -2.330 502 HA HIS 75 HA HIS 75 -6.105 -5.728 -2.400 503 HB2 HIS 75 1HB HIS 75 -3.592 -4.978 -0.895 504 HB3 HIS 75 2HB HIS 75 -4.191 -6.627 -1.049 505 HD1 HIS 75 1HD HIS 75 -4.881 -6.770 -3.991 506 HD2 HIS 75 2HD HIS 75 -1.451 -4.919 -2.551 507 HE1 HIS 75 1HE HIS 75 -3.261 -6.766 -5.915 508 HE2 HIS 75 2HE HIS 75 -1.163 -5.718 -4.994 509 H LEU 76 H LEU 76 -5.027 -3.927 0.488 510 HA LEU 76 HA LEU 76 -6.130 -5.374 2.483 511 HB2 LEU 76 1HB LEU 76 -6.131 -2.377 2.188 512 HB3 LEU 76 2HB LEU 76 -6.524 -3.215 3.688 513 HG LEU 76 HG LEU 76 -3.874 -3.522 2.292 514 HD11 LEU 76 1HD1 LEU 76 -4.760 -1.152 3.313 515 HD12 LEU 76 2HD1 LEU 76 -3.071 -1.643 3.200 516 HD13 LEU 76 3HD1 LEU 76 -3.958 -1.876 4.707 517 HD21 LEU 76 1HD2 LEU 76 -3.130 -4.386 4.401 518 HD22 LEU 76 2HD2 LEU 76 -4.587 -5.259 3.924 519 HD23 LEU 76 3HD2 LEU 76 -4.676 -4.002 5.158 520 H LYS 77 H LYS 77 -7.865 -3.075 0.423 521 HA LYS 77 HA LYS 77 -10.364 -3.333 1.733 522 HB2 LYS 77 1HB LYS 77 -9.775 -2.507 -1.116 523 HB3 LYS 77 2HB LYS 77 -11.296 -2.253 -0.269 524 HG2 LYS 77 1HG LYS 77 -8.681 -1.108 0.672 525 HG3 LYS 77 2HG LYS 77 -9.778 -0.259 -0.418 526 HD2 LYS 77 1HD LYS 77 -11.554 -0.794 1.424 527 HD3 LYS 77 2HD LYS 77 -10.137 -0.980 2.460 528 HE2 LYS 77 1HE LYS 77 -9.402 1.286 1.778 529 HE3 LYS 77 2HE LYS 77 -10.894 1.460 0.856 530 HZ1 LYS 77 1HZ LYS 77 -10.861 2.443 3.168 531 HZ2 LYS 77 2HZ LYS 77 -10.900 0.857 3.753 532 HZ3 LYS 77 3HZ LYS 77 -12.172 1.439 2.802 533 H LEU 78 H LEU 78 -8.973 -4.898 -1.129 534 HA LEU 78 HA LEU 78 -11.311 -6.548 -1.515 535 HB2 LEU 78 1HB LEU 78 -8.605 -6.744 -2.825 536 HB3 LEU 78 2HB LEU 78 -10.094 -7.515 -3.367 537 HG LEU 78 HG LEU 78 -9.880 -4.528 -3.210 538 HD11 LEU 78 1HD1 LEU 78 -8.219 -6.132 -4.804 539 HD12 LEU 78 2HD1 LEU 78 -8.485 -4.394 -4.927 540 HD13 LEU 78 3HD1 LEU 78 -9.475 -5.505 -5.872 541 HD21 LEU 78 1HD2 LEU 78 -12.080 -5.157 -3.584 542 HD22 LEU 78 2HD2 LEU 78 -11.624 -6.532 -4.590 543 HD23 LEU 78 3HD2 LEU 78 -11.470 -4.891 -5.218 544 H GLU 79 H GLU 79 -10.222 -6.865 1.044 545 HA GLU 79 HA GLU 79 -9.346 -8.395 2.511 546 HB2 GLU 79 1HB GLU 79 -11.556 -9.352 1.620 547 HB3 GLU 79 2HB GLU 79 -10.559 -10.440 0.664 548 HG2 GLU 79 1HG GLU 79 -9.443 -10.936 2.990 549 HG3 GLU 79 2HG GLU 79 -10.987 -10.347 3.603 550 H ASP 80 H ASP 80 -7.394 -7.624 0.726 551 HA ASP 80 HA ASP 80 -5.946 -10.145 0.240 552 HB2 ASP 80 1HB ASP 80 -6.148 -7.647 -1.384 553 HB3 ASP 80 2HB ASP 80 -4.633 -8.544 -1.413 554 H TYR 81 H TYR 81 -5.929 -8.857 2.730 555 HA TYR 81 HA TYR 81 -3.897 -7.032 3.192 556 HB2 TYR 81 1HB TYR 81 -4.665 -9.321 5.012 557 HB3 TYR 81 2HB TYR 81 -3.890 -7.814 5.488 558 HD1 TYR 81 1HD TYR 81 -7.035 -9.317 4.278 559 HD2 TYR 81 2HD TYR 81 -5.166 -5.827 5.836 560 HE1 TYR 81 1HE TYR 81 -9.247 -8.309 4.656 561 HE2 TYR 81 2HE TYR 81 -7.373 -4.810 6.220 562 HH TYR 81 HH TYR 81 -10.331 -6.371 5.123 563 H ASP 82 H ASP 82 -3.722 -10.569 3.040 564 HA ASP 82 HA ASP 82 -1.250 -11.194 3.841 565 HB2 ASP 82 1HB ASP 82 -2.344 -12.087 1.166 566 HB3 ASP 82 2HB ASP 82 -1.156 -12.936 2.151 567 H LYS 83 H LYS 83 -1.846 -10.098 0.496 568 HA LYS 83 HA LYS 83 0.878 -9.768 -0.145 569 HB2 LYS 83 1HB LYS 83 -1.597 -8.533 -1.362 570 HB3 LYS 83 2HB LYS 83 0.012 -8.405 -2.060 571 HG2 LYS 83 1HG LYS 83 0.099 -10.681 -2.574 572 HG3 LYS 83 2HG LYS 83 -1.234 -11.069 -1.483 573 HD2 LYS 83 1HD LYS 83 -2.558 -9.438 -3.081 574 HD3 LYS 83 2HD LYS 83 -1.291 -9.897 -4.221 575 HE2 LYS 83 1HE LYS 83 -2.959 -11.468 -4.615 576 HE3 LYS 83 2HE LYS 83 -1.854 -12.315 -3.534 577 HZ1 LYS 83 1HZ LYS 83 -3.718 -10.953 -1.964 578 HZ2 LYS 83 2HZ LYS 83 -3.527 -12.624 -2.141 579 HZ3 LYS 83 3HZ LYS 83 -4.580 -11.780 -3.162 580 H ALA 84 H ALA 84 -1.604 -7.364 0.724 581 HA ALA 84 HA ALA 84 -0.372 -5.009 0.582 582 HB1 ALA 84 1HB ALA 84 -2.415 -4.794 1.566 583 HB2 ALA 84 2HB ALA 84 -2.152 -6.147 2.668 584 HB3 ALA 84 3HB ALA 84 -1.392 -4.588 2.988 585 H GLU 85 H GLU 85 -0.006 -6.995 3.529 586 HA GLU 85 HA GLU 85 1.856 -5.628 4.902 587 HB2 GLU 85 1HB GLU 85 0.961 -7.773 5.657 588 HB3 GLU 85 2HB GLU 85 1.895 -8.613 4.427 589 HG2 GLU 85 1HG GLU 85 3.945 -7.563 5.561 590 HG3 GLU 85 2HG GLU 85 2.855 -7.249 6.910 591 H THR 86 H THR 86 2.787 -8.109 2.511 592 HA THR 86 HA THR 86 5.514 -7.504 2.482 593 HB THR 86 HB THR 86 3.921 -8.604 0.161 594 HG1 THR 86 1HG THR 86 5.236 -10.092 2.196 595 HG21 THR 86 1HG2 THR 86 6.720 -8.085 0.579 596 HG22 THR 86 2HG2 THR 86 5.899 -8.682 -0.864 597 HG23 THR 86 3HG2 THR 86 6.444 -9.814 0.374 598 H GLU 87 H GLU 87 2.955 -6.454 0.234 599 HA GLU 87 HA GLU 87 4.346 -4.970 -1.556 600 HB2 GLU 87 1HB GLU 87 1.756 -4.128 -0.241 601 HB3 GLU 87 2HB GLU 87 2.372 -3.520 -1.771 602 HG2 GLU 87 1HG GLU 87 1.789 -6.427 -1.305 603 HG3 GLU 87 2HG GLU 87 0.576 -5.290 -1.891 604 H ALA 88 H ALA 88 3.085 -3.662 1.514 605 HA ALA 88 HA ALA 88 4.206 -1.133 1.354 606 HB1 ALA 88 1HB ALA 88 3.699 -0.877 3.607 607 HB2 ALA 88 2HB ALA 88 2.560 -2.116 3.078 608 HB3 ALA 88 3HB ALA 88 4.010 -2.574 3.972 609 H SER 89 H SER 89 5.567 -4.021 2.939 610 HA SER 89 HA SER 89 7.886 -3.081 3.964 611 HB2 SER 89 1HB SER 89 7.245 -5.438 4.102 612 HB3 SER 89 2HB SER 89 7.571 -5.644 2.381 613 HG SER 89 HG SER 89 9.438 -5.028 4.427 614 H LYS 90 H LYS 90 7.207 -3.658 0.561 615 HA LYS 90 HA LYS 90 9.849 -3.242 -0.379 616 HB2 LYS 90 1HB LYS 90 7.163 -3.044 -1.743 617 HB3 LYS 90 2HB LYS 90 8.691 -2.849 -2.593 618 HG2 LYS 90 1HG LYS 90 9.263 -5.071 -2.353 619 HG3 LYS 90 2HG LYS 90 8.195 -5.304 -0.967 620 HD2 LYS 90 1HD LYS 90 6.274 -5.361 -2.325 621 HD3 LYS 90 2HD LYS 90 7.133 -4.685 -3.710 622 HE2 LYS 90 1HE LYS 90 8.586 -6.839 -3.502 623 HE3 LYS 90 2HE LYS 90 7.207 -7.458 -2.596 624 HZ1 LYS 90 1HZ LYS 90 7.514 -7.304 -5.363 625 HZ2 LYS 90 2HZ LYS 90 6.274 -6.233 -4.942 626 HZ3 LYS 90 3HZ LYS 90 6.173 -7.861 -4.495 627 H ALA 91 H ALA 91 7.005 -1.122 -0.778 628 HA ALA 91 HA ALA 91 8.205 1.137 -1.691 629 HB1 ALA 91 1HB ALA 91 6.326 2.330 -1.032 630 HB2 ALA 91 2HB ALA 91 5.726 0.674 -1.138 631 HB3 ALA 91 3HB ALA 91 6.110 1.375 0.435 632 H ILE 92 H ILE 92 8.560 -0.249 1.440 633 HA ILE 92 HA ILE 92 9.467 2.125 2.765 634 HB ILE 92 HB ILE 92 9.703 -0.790 3.509 635 HG12 ILE 92 1HG1 ILE 92 7.954 1.436 4.581 636 HG13 ILE 92 2HG1 ILE 92 7.420 0.137 3.520 637 HG21 ILE 92 1HG2 ILE 92 10.027 0.955 5.741 638 HG22 ILE 92 2HG2 ILE 92 11.138 -0.263 5.115 639 HG23 ILE 92 3HG2 ILE 92 11.202 1.388 4.498 640 HD11 ILE 92 1HD1 ILE 92 6.905 -0.099 5.985 641 HD12 ILE 92 2HD1 ILE 92 7.674 -1.478 5.199 642 HD13 ILE 92 3HD1 ILE 92 8.628 -0.394 6.211 643 H GLU 93 H GLU 93 11.136 -0.844 1.694 644 HA GLU 93 HA GLU 93 13.716 -0.265 2.271 645 HB2 GLU 93 1HB GLU 93 14.335 -1.865 0.741 646 HB3 GLU 93 2HB GLU 93 12.627 -2.242 0.918 647 HG2 GLU 93 1HG GLU 93 12.101 -1.095 -1.120 648 HG3 GLU 93 2HG GLU 93 13.758 -0.511 -1.267 649 H LYS 94 H LYS 94 11.981 0.853 -0.622 650 HA LYS 94 HA LYS 94 13.933 2.172 -1.982 651 HB2 LYS 94 1HB LYS 94 11.026 2.643 -1.604 652 HB3 LYS 94 2HB LYS 94 11.953 3.956 -2.317 653 HG2 LYS 94 1HG LYS 94 11.004 2.578 -4.050 654 HG3 LYS 94 2HG LYS 94 12.762 2.418 -4.055 655 HD2 LYS 94 1HD LYS 94 12.192 0.214 -4.203 656 HD3 LYS 94 2HD LYS 94 12.206 0.384 -2.446 657 HE2 LYS 94 1HE LYS 94 9.921 0.308 -2.286 658 HE3 LYS 94 2HE LYS 94 9.677 0.959 -3.906 659 HZ1 LYS 94 1HZ LYS 94 10.210 -1.804 -3.075 660 HZ2 LYS 94 2HZ LYS 94 10.743 -1.300 -4.599 661 HZ3 LYS 94 3HZ LYS 94 9.099 -1.217 -4.208 662 H ASP 95 H ASP 95 11.766 4.010 0.163 663 HA ASP 95 HA ASP 95 13.655 6.127 0.453 664 HB2 ASP 95 1HB ASP 95 11.023 6.115 0.654 665 HB3 ASP 95 2HB ASP 95 11.368 5.786 2.350 666 H GLY 96 H GLY 96 12.173 4.116 3.004 667 HA2 GLY 96 1HA GLY 96 13.724 2.788 4.418 668 HA3 GLY 96 2HA GLY 96 14.778 4.194 4.400 669 H GLY 97 H GLY 97 12.708 6.152 4.745 670 HA2 GLY 97 1HA GLY 97 11.834 5.506 7.493 671 HA3 GLY 97 2HA GLY 97 12.524 7.066 7.072 672 H ASP 98 H ASP 98 10.032 4.986 5.600 673 HA ASP 98 HA ASP 98 8.274 7.345 5.505 674 HB2 ASP 98 1HB ASP 98 7.054 6.009 3.717 675 HB3 ASP 98 2HB ASP 98 8.663 6.586 3.291 676 H VAL 99 H VAL 99 7.273 7.195 7.481 677 HA VAL 99 HA VAL 99 6.327 4.839 8.674 678 HB VAL 99 HB VAL 99 5.001 6.256 10.129 679 HG11 VAL 99 1HG1 VAL 99 7.052 6.421 11.037 680 HG12 VAL 99 2HG1 VAL 99 7.808 6.863 9.505 681 HG13 VAL 99 3HG1 VAL 99 6.971 8.086 10.461 682 HG21 VAL 99 1HG2 VAL 99 4.901 8.702 9.742 683 HG22 VAL 99 2HG2 VAL 99 5.631 8.450 8.156 684 HG23 VAL 99 3HG2 VAL 99 4.043 7.770 8.514 685 H LYS 100 H LYS 100 4.909 6.983 6.302 686 HA LYS 100 HA LYS 100 2.249 6.461 6.390 687 HB2 LYS 100 1HB LYS 100 4.111 6.750 4.052 688 HB3 LYS 100 2HB LYS 100 2.395 6.465 3.797 689 HG2 LYS 100 1HG LYS 100 2.434 8.739 3.733 690 HG3 LYS 100 2HG LYS 100 2.151 8.492 5.458 691 HD2 LYS 100 1HD LYS 100 4.537 8.754 5.896 692 HD3 LYS 100 2HD LYS 100 4.841 8.963 4.170 693 HE2 LYS 100 1HE LYS 100 2.871 10.751 5.510 694 HE3 LYS 100 2HE LYS 100 4.590 11.035 5.777 695 HZ1 LYS 100 1HZ LYS 100 4.914 11.245 3.414 696 HZ2 LYS 100 2HZ LYS 100 3.703 12.317 3.906 697 HZ3 LYS 100 3HZ LYS 100 3.290 10.882 3.111 698 H ALA 101 H ALA 101 4.602 4.441 4.628 699 HA ALA 101 HA ALA 101 2.778 2.412 3.941 700 HB1 ALA 101 1HB ALA 101 5.150 1.098 3.991 701 HB2 ALA 101 2HB ALA 101 4.596 2.110 2.657 702 HB3 ALA 101 3HB ALA 101 5.690 2.773 3.871 703 H LEU 102 H LEU 102 5.051 2.697 6.655 704 HA LEU 102 HA LEU 102 4.776 0.237 7.831 705 HB2 LEU 102 1HB LEU 102 5.291 2.972 8.854 706 HB3 LEU 102 2HB LEU 102 4.889 1.729 10.037 707 HG LEU 102 HG LEU 102 7.066 1.207 8.063 708 HD11 LEU 102 1HD1 LEU 102 8.668 2.193 9.704 709 HD12 LEU 102 2HD1 LEU 102 7.292 2.946 10.511 710 HD13 LEU 102 3HD1 LEU 102 7.679 3.375 8.845 711 HD21 LEU 102 1HD2 LEU 102 6.046 -0.408 9.837 712 HD22 LEU 102 2HD2 LEU 102 7.048 0.504 10.966 713 HD23 LEU 102 3HD2 LEU 102 7.794 -0.340 9.608 714 H TYR 103 H TYR 103 2.826 3.100 8.696 715 HA TYR 103 HA TYR 103 1.055 2.008 10.438 716 HB2 TYR 103 1HB TYR 103 1.066 4.386 9.767 717 HB3 TYR 103 2HB TYR 103 0.335 3.946 8.228 718 HD1 TYR 103 2HD TYR 103 -0.361 3.107 11.810 719 HD2 TYR 103 1HD TYR 103 -1.879 4.558 8.109 720 HE1 TYR 103 2HE TYR 103 -2.595 3.320 12.816 721 HE2 TYR 103 1HE TYR 103 -4.117 4.776 9.106 722 HH TYR 103 HH TYR 103 -4.673 4.643 12.422 723 H ARG 104 H ARG 104 0.893 1.815 6.906 724 HA ARG 104 HA ARG 104 -1.579 0.414 6.826 725 HB2 ARG 104 1HB ARG 104 0.577 1.062 4.877 726 HB3 ARG 104 2HB ARG 104 -0.532 -0.239 4.467 727 HG2 ARG 104 1HG ARG 104 -2.400 1.420 4.968 728 HG3 ARG 104 2HG ARG 104 -1.143 2.658 4.930 729 HD2 ARG 104 1HD ARG 104 -0.547 1.453 2.648 730 HD3 ARG 104 2HD ARG 104 -2.247 0.991 2.731 731 HE ARG 104 HE ARG 104 -1.195 3.584 2.148 732 HH11 ARG 104 2HH1 ARG 104 -3.898 1.882 3.534 733 HH12 ARG 104 1HH1 ARG 104 -5.027 3.160 3.228 734 HH21 ARG 104 2HH2 ARG 104 -2.673 5.273 1.739 735 HH22 ARG 104 1HH2 ARG 104 -4.329 5.088 2.206 736 H ARG 105 H ARG 105 1.812 -0.607 6.683 737 HA ARG 105 HA ARG 105 1.554 -3.275 6.122 738 HB2 ARG 105 1HB ARG 105 3.732 -2.299 6.354 739 HB3 ARG 105 2HB ARG 105 3.437 -1.904 8.042 740 HG2 ARG 105 1HG ARG 105 3.820 -4.033 8.755 741 HG3 ARG 105 2HG ARG 105 3.289 -4.755 7.235 742 HD2 ARG 105 1HD ARG 105 5.327 -4.416 6.209 743 HD3 ARG 105 2HD ARG 105 5.761 -3.085 7.280 744 HE ARG 105 HE ARG 105 5.573 -5.679 8.546 745 HH11 ARG 105 2HH1 ARG 105 7.621 -3.340 6.980 746 HH12 ARG 105 1HH1 ARG 105 9.082 -3.960 7.675 747 HH21 ARG 105 2HH2 ARG 105 7.490 -6.505 9.467 748 HH22 ARG 105 1HH2 ARG 105 9.006 -5.761 9.088 749 H SER 106 H SER 106 1.654 -1.927 9.427 750 HA SER 106 HA SER 106 1.139 -4.169 10.885 751 HB2 SER 106 1HB SER 106 0.259 -2.749 12.622 752 HB3 SER 106 2HB SER 106 1.540 -1.862 11.795 753 HG SER 106 HG SER 106 -0.080 -0.765 10.621 754 H GLN 107 H GLN 107 -1.315 -2.040 9.433 755 HA GLN 107 HA GLN 107 -3.623 -3.210 10.277 756 HB2 GLN 107 1HB GLN 107 -3.079 -2.265 7.458 757 HB3 GLN 107 2HB GLN 107 -4.665 -2.451 8.194 758 HG2 GLN 107 1HG GLN 107 -2.567 -0.601 9.287 759 HG3 GLN 107 2HG GLN 107 -3.751 -0.108 8.077 760 HE21 GLN 107 1HE2 GLN 107 -5.711 0.508 8.729 761 HE22 GLN 107 2HE2 GLN 107 -6.300 0.397 10.349 762 H ALA 108 H ALA 108 -1.527 -4.328 7.658 763 HA ALA 108 HA ALA 108 -3.210 -6.475 6.853 764 HB1 ALA 108 1HB ALA 108 -1.467 -7.128 5.421 765 HB2 ALA 108 2HB ALA 108 -1.353 -5.370 5.508 766 HB3 ALA 108 3HB ALA 108 -0.237 -6.372 6.435 767 H LEU 109 H LEU 109 -0.256 -6.345 8.839 768 HA LEU 109 HA LEU 109 0.028 -9.023 9.420 769 HB2 LEU 109 1HB LEU 109 0.553 -6.613 11.146 770 HB3 LEU 109 2HB LEU 109 1.054 -8.247 11.579 771 HG LEU 109 HG LEU 109 1.944 -7.044 8.988 772 HD11 LEU 109 1HD1 LEU 109 2.390 -5.686 11.289 773 HD12 LEU 109 2HD1 LEU 109 3.477 -5.683 9.901 774 HD13 LEU 109 3HD1 LEU 109 3.783 -6.767 11.258 775 HD21 LEU 109 1HD2 LEU 109 3.872 -8.587 10.435 776 HD22 LEU 109 2HD2 LEU 109 3.137 -8.910 8.865 777 HD23 LEU 109 3HD2 LEU 109 2.351 -9.475 10.340 778 H GLU 110 H GLU 110 -1.755 -6.627 11.373 779 HA GLU 110 HA GLU 110 -2.741 -8.221 13.353 780 HB2 GLU 110 1HB GLU 110 -4.161 -5.996 11.884 781 HB3 GLU 110 2HB GLU 110 -4.741 -6.707 13.384 782 HG2 GLU 110 1HG GLU 110 -3.129 -5.716 14.645 783 HG3 GLU 110 2HG GLU 110 -1.961 -5.679 13.326 784 H LYS 111 H LYS 111 -4.073 -7.839 10.092 785 HA LYS 111 HA LYS 111 -6.335 -9.481 10.466 786 HB2 LYS 111 1HB LYS 111 -4.859 -8.383 8.129 787 HB3 LYS 111 2HB LYS 111 -5.943 -9.736 7.834 788 HG2 LYS 111 1HG LYS 111 -6.915 -7.370 9.370 789 HG3 LYS 111 2HG LYS 111 -6.808 -7.298 7.610 790 HD2 LYS 111 1HD LYS 111 -8.290 -9.165 7.379 791 HD3 LYS 111 2HD LYS 111 -8.263 -9.466 9.118 792 HE2 LYS 111 1HE LYS 111 -9.223 -6.856 7.989 793 HE3 LYS 111 2HE LYS 111 -10.296 -8.248 8.127 794 HZ1 LYS 111 1HZ LYS 111 -10.499 -6.840 10.056 795 HZ2 LYS 111 2HZ LYS 111 -8.837 -6.935 10.355 796 HZ3 LYS 111 3HZ LYS 111 -9.803 -8.315 10.509 797 H LEU 112 H LEU 112 -3.013 -10.174 9.574 798 HA LEU 112 HA LEU 112 -3.604 -12.963 9.024 799 HB2 LEU 112 1HB LEU 112 -0.962 -11.516 9.142 800 HB3 LEU 112 2HB LEU 112 -1.215 -13.160 8.560 801 HG LEU 112 HG LEU 112 -2.368 -10.688 7.270 802 HD11 LEU 112 1HD1 LEU 112 -0.464 -12.020 5.642 803 HD12 LEU 112 2HD1 LEU 112 0.281 -11.693 7.206 804 HD13 LEU 112 3HD1 LEU 112 -0.418 -10.373 6.270 805 HD21 LEU 112 1HD2 LEU 112 -3.427 -12.030 5.820 806 HD22 LEU 112 2HD2 LEU 112 -3.253 -13.255 7.077 807 HD23 LEU 112 3HD2 LEU 112 -2.091 -13.179 5.752 808 H GLY 113 H GLY 113 -4.053 -11.822 11.717 809 HA2 GLY 113 1HA GLY 113 -3.745 -12.419 13.912 810 HA3 GLY 113 2HA GLY 113 -3.229 -13.974 13.275 811 H ARG 114 H ARG 114 -1.594 -10.937 12.621 812 HA ARG 114 HA ARG 114 0.703 -11.932 14.175 813 HB2 ARG 114 1HB ARG 114 0.652 -10.206 11.693 814 HB3 ARG 114 2HB ARG 114 2.103 -10.575 12.617 815 HG2 ARG 114 1HG ARG 114 1.974 -12.879 12.062 816 HG3 ARG 114 2HG ARG 114 0.359 -12.686 11.379 817 HD2 ARG 114 1HD ARG 114 1.391 -11.109 9.700 818 HD3 ARG 114 2HD ARG 114 2.964 -11.637 10.296 819 HE ARG 114 HE ARG 114 1.204 -13.081 8.562 820 HH11 ARG 114 2HH1 ARG 114 3.690 -13.400 10.978 821 HH12 ARG 114 1HH1 ARG 114 4.210 -14.957 10.424 822 HH21 ARG 114 2HH2 ARG 114 1.880 -15.131 7.824 823 HH22 ARG 114 1HH2 ARG 114 3.180 -15.941 8.630 824 H LEU 115 H LEU 115 -1.171 -10.570 15.583 825 HA LEU 115 HA LEU 115 -0.947 -7.788 15.678 826 HB2 LEU 115 1HB LEU 115 -1.407 -9.589 18.046 827 HB3 LEU 115 2HB LEU 115 -1.918 -7.912 17.859 828 HG LEU 115 HG LEU 115 -2.980 -10.203 16.209 829 HD11 LEU 115 1HD1 LEU 115 -3.493 -10.324 18.678 830 HD12 LEU 115 2HD1 LEU 115 -4.887 -10.254 17.600 831 HD13 LEU 115 3HD1 LEU 115 -4.379 -8.811 18.478 832 HD21 LEU 115 1HD2 LEU 115 -3.146 -7.367 15.962 833 HD22 LEU 115 2HD2 LEU 115 -4.742 -8.001 16.367 834 HD23 LEU 115 3HD2 LEU 115 -3.882 -8.613 14.954 835 H ASP 116 H ASP 116 0.967 -10.306 17.244 836 HA ASP 116 HA ASP 116 2.469 -8.779 18.994 837 HB2 ASP 116 1HB ASP 116 3.135 -11.260 17.423 838 HB3 ASP 116 2HB ASP 116 4.292 -10.536 18.537 839 H GLN 117 H GLN 117 2.929 -9.301 15.533 840 HA GLN 117 HA GLN 117 5.372 -7.770 15.465 841 HB2 GLN 117 1HB GLN 117 3.639 -8.919 13.275 842 HB3 GLN 117 2HB GLN 117 5.143 -8.057 12.981 843 HG2 GLN 117 1HG GLN 117 5.730 -10.307 12.896 844 HG3 GLN 117 2HG GLN 117 6.236 -9.780 14.501 845 HE21 GLN 117 1HE2 GLN 117 6.194 -12.100 14.933 846 HE22 GLN 117 2HE2 GLN 117 4.700 -12.833 15.400 847 H ALA 118 H ALA 118 1.996 -7.294 14.532 848 HA ALA 118 HA ALA 118 2.073 -4.941 13.163 849 HB1 ALA 118 1HB ALA 118 0.087 -6.437 14.199 850 HB2 ALA 118 2HB ALA 118 -0.002 -5.024 15.252 851 HB3 ALA 118 3HB ALA 118 -0.152 -4.833 13.505 852 H VAL 119 H VAL 119 2.092 -5.290 16.702 853 HA VAL 119 HA VAL 119 2.091 -2.597 17.389 854 HB VAL 119 HB VAL 119 3.490 -4.863 18.816 855 HG11 VAL 119 1HG1 VAL 119 2.631 -2.976 20.669 856 HG12 VAL 119 2HG1 VAL 119 4.294 -3.284 20.164 857 HG13 VAL 119 3HG1 VAL 119 3.346 -2.029 19.364 858 HG21 VAL 119 1HG2 VAL 119 1.517 -5.291 19.954 859 HG22 VAL 119 2HG2 VAL 119 0.831 -3.712 19.567 860 HG23 VAL 119 3HG2 VAL 119 0.946 -4.953 18.319 861 H LEU 120 H LEU 120 4.910 -4.744 16.980 862 HA LEU 120 HA LEU 120 6.916 -2.903 17.433 863 HB2 LEU 120 1HB LEU 120 6.835 -5.242 15.539 864 HB3 LEU 120 2HB LEU 120 8.301 -4.334 15.903 865 HG LEU 120 HG LEU 120 6.775 -5.529 18.165 866 HD11 LEU 120 1HD1 LEU 120 8.690 -7.425 17.418 867 HD12 LEU 120 2HD1 LEU 120 7.785 -7.056 15.951 868 HD13 LEU 120 3HD1 LEU 120 6.936 -7.602 17.396 869 HD21 LEU 120 1HD2 LEU 120 9.739 -5.395 17.680 870 HD22 LEU 120 2HD2 LEU 120 8.884 -5.595 19.210 871 HD23 LEU 120 3HD2 LEU 120 8.828 -4.048 18.364 872 H ASP 121 H ASP 121 5.321 -3.680 14.354 873 HA ASP 121 HA ASP 121 6.788 -1.945 12.726 874 HB2 ASP 121 1HB ASP 121 4.102 -3.234 12.542 875 HB3 ASP 121 2HB ASP 121 4.490 -1.950 11.401 876 H LEU 122 H LEU 122 3.763 -1.405 14.503 877 HA LEU 122 HA LEU 122 3.324 1.230 13.625 878 HB2 LEU 122 1HB LEU 122 2.430 -0.354 16.000 879 HB3 LEU 122 2HB LEU 122 2.050 1.363 15.885 880 HG LEU 122 HG LEU 122 1.248 -0.701 13.836 881 HD11 LEU 122 1HD1 LEU 122 0.244 -0.551 16.354 882 HD12 LEU 122 2HD1 LEU 122 -0.657 -1.105 14.944 883 HD13 LEU 122 3HD1 LEU 122 -0.814 0.564 15.490 884 HD21 LEU 122 1HD2 LEU 122 -0.420 1.272 13.391 885 HD22 LEU 122 2HD2 LEU 122 1.199 1.285 12.689 886 HD23 LEU 122 3HD2 LEU 122 0.855 2.238 14.134 887 H GLN 123 H GLN 123 4.948 -0.022 16.526 888 HA GLN 123 HA GLN 123 5.510 2.145 17.989 889 HB2 GLN 123 1HB GLN 123 7.445 -0.018 17.160 890 HB3 GLN 123 2HB GLN 123 7.800 1.165 18.412 891 HG2 GLN 123 1HG GLN 123 5.491 0.295 19.369 892 HG3 GLN 123 2HG GLN 123 5.939 -1.139 18.446 893 HE21 GLN 123 1HE2 GLN 123 7.020 -2.594 19.547 894 HE22 GLN 123 2HE2 GLN 123 8.056 -2.297 20.897 895 H ARG 124 H ARG 124 7.288 1.275 15.035 896 HA ARG 124 HA ARG 124 9.108 3.376 15.022 897 HB2 ARG 124 1HB ARG 124 7.816 1.918 12.713 898 HB3 ARG 124 2HB ARG 124 9.168 3.029 12.537 899 HG2 ARG 124 1HG ARG 124 10.485 1.576 14.061 900 HG3 ARG 124 2HG ARG 124 9.145 0.429 14.049 901 HD2 ARG 124 1HD ARG 124 10.441 -0.448 12.380 902 HD3 ARG 124 2HD ARG 124 9.422 0.644 11.442 903 HE ARG 124 HE ARG 124 11.711 2.038 12.248 904 HH11 ARG 124 2HH1 ARG 124 10.798 -0.584 10.147 905 HH12 ARG 124 1HH1 ARG 124 12.100 -0.318 9.035 906 HH21 ARG 124 2HH2 ARG 124 13.429 2.397 10.791 907 HH22 ARG 124 1HH2 ARG 124 13.596 1.377 9.403 908 H CYS 125 H CYS 125 5.873 3.213 13.555 909 HA CYS 125 HA CYS 125 5.700 5.571 12.236 910 HB2 CYS 125 1HB CYS 125 3.575 4.450 14.076 911 HB3 CYS 125 2HB CYS 125 3.301 5.611 12.783 912 HG CYS 125 HG CYS 125 4.650 3.420 11.078 913 H VAL 126 H VAL 126 5.118 5.173 15.727 914 HA VAL 126 HA VAL 126 4.696 7.913 16.257 915 HB VAL 126 HB VAL 126 5.705 5.808 18.175 916 HG11 VAL 126 1HG1 VAL 126 5.948 8.133 18.954 917 HG12 VAL 126 2HG1 VAL 126 4.219 8.379 18.703 918 HG13 VAL 126 3HG1 VAL 126 4.780 7.220 19.909 919 HG21 VAL 126 1HG2 VAL 126 3.706 4.944 17.283 920 HG22 VAL 126 2HG2 VAL 126 3.240 5.707 18.803 921 HG23 VAL 126 3HG2 VAL 126 2.929 6.528 17.274 922 H SER 127 H SER 127 7.583 5.926 16.127 923 HA SER 127 HA SER 127 9.347 7.739 17.383 924 HB2 SER 127 1HB SER 127 9.763 5.276 16.905 925 HB3 SER 127 2HB SER 127 10.113 5.748 15.242 926 HG SER 127 HG SER 127 12.027 6.269 15.898 927 H LEU 128 H LEU 128 8.988 6.991 13.910 928 HA LEU 128 HA LEU 128 10.557 9.176 13.044 929 HB2 LEU 128 1HB LEU 128 8.732 7.215 11.774 930 HB3 LEU 128 2HB LEU 128 9.089 8.687 10.873 931 HG LEU 128 HG LEU 128 11.297 6.972 11.959 932 HD11 LEU 128 1HD1 LEU 128 11.260 5.530 10.176 933 HD12 LEU 128 2HD1 LEU 128 10.323 6.628 9.164 934 HD13 LEU 128 3HD1 LEU 128 9.533 5.742 10.468 935 HD21 LEU 128 1HD2 LEU 128 11.242 9.411 10.679 936 HD22 LEU 128 2HD2 LEU 128 11.599 8.277 9.377 937 HD23 LEU 128 3HD2 LEU 128 12.633 8.335 10.805 938 H GLU 129 H GLU 129 7.140 8.798 13.713 939 HA GLU 129 HA GLU 129 6.771 11.661 13.125 940 HB2 GLU 129 1HB GLU 129 5.092 9.308 12.426 941 HB3 GLU 129 2HB GLU 129 4.259 10.786 12.885 942 HG2 GLU 129 1HG GLU 129 6.325 10.596 10.707 943 HG3 GLU 129 2HG GLU 129 4.582 10.543 10.450 944 HA PRO 130 HA PRO 130 5.977 11.246 17.592 945 HB2 PRO 130 1HB PRO 130 6.595 13.830 18.147 946 HB3 PRO 130 2HB PRO 130 7.818 12.564 17.983 947 HG2 PRO 130 1HG PRO 130 6.935 14.615 15.989 948 HG3 PRO 130 2HG PRO 130 8.576 14.070 16.382 949 HD2 PRO 130 1HD PRO 130 7.230 13.186 14.206 950 HD3 PRO 130 2HD PRO 130 8.392 12.173 15.086 951 H LYS 131 H LYS 131 5.049 14.027 15.567 952 HA LYS 131 HA LYS 131 2.912 14.916 17.138 953 HB2 LYS 131 1HB LYS 131 3.225 15.109 14.136 954 HB3 LYS 131 2HB LYS 131 2.140 16.082 15.120 955 HG2 LYS 131 1HG LYS 131 4.060 17.059 16.273 956 HG3 LYS 131 2HG LYS 131 5.148 16.084 15.282 957 HD2 LYS 131 1HD LYS 131 5.128 18.150 14.203 958 HD3 LYS 131 2HD LYS 131 3.969 17.192 13.278 959 HE2 LYS 131 1HE LYS 131 2.959 18.789 15.574 960 HE3 LYS 131 2HE LYS 131 3.418 19.649 14.105 961 HZ1 LYS 131 1HZ LYS 131 1.679 18.822 12.973 962 HZ2 LYS 131 2HZ LYS 131 1.006 18.602 14.509 963 HZ3 LYS 131 3HZ LYS 131 1.752 17.305 13.719 964 H ASN 132 H ASN 132 2.744 12.983 14.139 965 HA ASN 132 HA ASN 132 0.162 12.416 13.871 966 HB2 ASN 132 1HB ASN 132 2.337 11.294 12.822 967 HB3 ASN 132 2HB ASN 132 1.903 9.996 13.929 968 HD21 ASN 132 1HD2 ASN 132 0.673 12.018 11.322 969 HD22 ASN 132 2HD2 ASN 132 -0.465 10.865 10.721 970 H LYS 133 H LYS 133 -1.413 11.956 15.244 971 HA LYS 133 HA LYS 133 -0.819 10.564 17.735 972 HB2 LYS 133 1HB LYS 133 -3.177 12.129 16.722 973 HB3 LYS 133 2HB LYS 133 -3.315 11.111 18.150 974 HG2 LYS 133 1HG LYS 133 -2.836 13.167 19.062 975 HG3 LYS 133 2HG LYS 133 -1.237 12.423 18.976 976 HD2 LYS 133 1HD LYS 133 -0.760 14.459 18.055 977 HD3 LYS 133 2HD LYS 133 -1.225 13.580 16.596 978 HE2 LYS 133 1HE LYS 133 -3.444 14.513 16.687 979 HE3 LYS 133 2HE LYS 133 -3.101 15.277 18.238 980 HZ1 LYS 133 1HZ LYS 133 -2.340 17.035 17.159 981 HZ2 LYS 133 2HZ LYS 133 -2.663 16.299 15.671 982 HZ3 LYS 133 3HZ LYS 133 -1.152 16.095 16.404 983 H VAL 134 H VAL 134 -3.004 10.258 14.950 984 HA VAL 134 HA VAL 134 -4.523 8.127 15.472 985 HB VAL 134 HB VAL 134 -4.257 7.363 13.127 986 HG11 VAL 134 1HG1 VAL 134 -5.013 9.448 12.079 987 HG12 VAL 134 2HG1 VAL 134 -5.774 9.192 13.650 988 HG13 VAL 134 3HG1 VAL 134 -4.454 10.351 13.486 989 HG21 VAL 134 1HG2 VAL 134 -2.208 9.550 12.847 990 HG22 VAL 134 2HG2 VAL 134 -1.783 7.851 13.061 991 HG23 VAL 134 3HG2 VAL 134 -2.698 8.359 11.642 992 H PHE 135 H PHE 135 -1.050 8.043 15.087 993 HA PHE 135 HA PHE 135 -0.823 5.204 14.933 994 HB2 PHE 135 1HB PHE 135 1.258 7.242 15.753 995 HB3 PHE 135 2HB PHE 135 1.570 5.576 15.276 996 HD1 PHE 135 1HD PHE 135 -0.649 5.748 13.036 997 HD2 PHE 135 2HD PHE 135 2.772 8.073 14.041 998 HE1 PHE 135 1HE PHE 135 -0.447 6.459 10.689 999 HE2 PHE 135 2HE PHE 135 2.979 8.789 11.696 1000 HZ PHE 135 HZ PHE 135 1.368 7.982 10.017 1001 H GLN 136 H GLN 136 -0.249 7.547 17.551 1002 HA GLN 136 HA GLN 136 0.471 5.792 19.558 1003 HB2 GLN 136 1HB GLN 136 -1.172 8.317 19.808 1004 HB3 GLN 136 2HB GLN 136 -0.365 7.500 21.140 1005 HG2 GLN 136 1HG GLN 136 1.728 8.144 20.451 1006 HG3 GLN 136 2HG GLN 136 1.228 8.352 18.773 1007 HE21 GLN 136 1HE2 GLN 136 1.949 10.407 18.503 1008 HE22 GLN 136 2HE2 GLN 136 1.305 11.770 19.345 1009 H GLU 137 H GLU 137 -2.797 6.863 18.658 1010 HA GLU 137 HA GLU 137 -4.144 5.351 20.629 1011 HB2 GLU 137 1HB GLU 137 -6.120 6.031 19.610 1012 HB3 GLU 137 2HB GLU 137 -5.001 7.314 19.172 1013 HG2 GLU 137 1HG GLU 137 -4.761 6.479 16.972 1014 HG3 GLU 137 2HG GLU 137 -5.583 4.975 17.382 1015 H ALA 138 H ALA 138 -2.980 4.600 17.425 1016 HA ALA 138 HA ALA 138 -4.466 2.216 17.037 1017 HB1 ALA 138 1HB ALA 138 -2.817 3.741 15.478 1018 HB2 ALA 138 2HB ALA 138 -1.844 2.295 15.749 1019 HB3 ALA 138 3HB ALA 138 -3.454 2.155 15.042 1020 H LEU 139 H LEU 139 -1.135 2.796 18.156 1021 HA LEU 139 HA LEU 139 -0.276 0.215 18.511 1022 HB2 LEU 139 1HB LEU 139 0.859 2.526 18.976 1023 HB3 LEU 139 2HB LEU 139 0.310 2.238 20.626 1024 HG LEU 139 HG LEU 139 2.640 1.576 20.321 1025 HD11 LEU 139 1HD1 LEU 139 0.673 -0.650 20.801 1026 HD12 LEU 139 2HD1 LEU 139 1.455 0.384 21.996 1027 HD13 LEU 139 3HD1 LEU 139 2.405 -0.799 21.098 1028 HD21 LEU 139 1HD2 LEU 139 3.369 -0.008 18.788 1029 HD22 LEU 139 2HD2 LEU 139 2.210 0.941 17.857 1030 HD23 LEU 139 3HD2 LEU 139 1.744 -0.632 18.507 1031 H ARG 140 H ARG 140 -1.837 2.210 21.026 1032 HA ARG 140 HA ARG 140 -2.111 0.098 22.878 1033 HB2 ARG 140 1HB ARG 140 -3.676 2.676 22.647 1034 HB3 ARG 140 2HB ARG 140 -3.687 1.607 24.043 1035 HG2 ARG 140 1HG ARG 140 -1.254 1.989 24.298 1036 HG3 ARG 140 2HG ARG 140 -1.337 3.155 22.975 1037 HD2 ARG 140 1HD ARG 140 -2.483 4.696 24.224 1038 HD3 ARG 140 2HD ARG 140 -3.212 3.472 25.262 1039 HE ARG 140 HE ARG 140 -0.667 4.781 25.633 1040 HH11 ARG 140 2HH1 ARG 140 -2.663 2.048 26.445 1041 HH12 ARG 140 1HH1 ARG 140 -1.829 1.712 27.926 1042 HH21 ARG 140 2HH2 ARG 140 0.440 4.350 27.581 1043 HH22 ARG 140 1HH2 ARG 140 -0.065 3.023 28.571 1044 H ASN 141 H ASN 141 -4.163 1.288 20.293 1045 HA ASN 141 HA ASN 141 -6.567 0.061 20.951 1046 HB2 ASN 141 1HB ASN 141 -6.527 1.619 19.143 1047 HB3 ASN 141 2HB ASN 141 -5.328 0.674 18.267 1048 HD21 ASN 141 1HD2 ASN 141 -6.757 0.720 16.473 1049 HD22 ASN 141 2HD2 ASN 141 -8.106 -0.357 16.396 1050 H ILE 142 H ILE 142 -3.707 -1.256 19.378 1051 HA ILE 142 HA ILE 142 -5.010 -3.859 19.093 1052 HB ILE 142 HB ILE 142 -3.119 -4.533 17.768 1053 HG12 ILE 142 1HG1 ILE 142 -1.885 -1.823 18.272 1054 HG13 ILE 142 2HG1 ILE 142 -1.443 -3.263 19.184 1055 HG21 ILE 142 1HG2 ILE 142 -4.894 -2.539 17.070 1056 HG22 ILE 142 2HG2 ILE 142 -3.332 -1.901 16.559 1057 HG23 ILE 142 3HG2 ILE 142 -3.882 -3.467 15.963 1058 HD11 ILE 142 1HD1 ILE 142 -1.022 -4.263 16.805 1059 HD12 ILE 142 2HD1 ILE 142 -0.881 -2.564 16.352 1060 HD13 ILE 142 3HD1 ILE 142 0.183 -3.239 17.585 1061 H SER 143 H SER 143 -2.527 -2.221 20.918 1062 HA SER 143 HA SER 143 -1.275 -4.517 22.003 1063 HB2 SER 143 1HB SER 143 -0.485 -2.031 21.976 1064 HB3 SER 143 2HB SER 143 -1.409 -1.900 23.472 1065 HG SER 143 HG SER 143 0.492 -2.546 24.218 1066 H GLY 144 H GLY 144 -4.038 -2.574 22.986 1067 HA2 GLY 144 1HA GLY 144 -4.323 -3.930 25.520 1068 HA3 GLY 144 2HA GLY 144 -5.432 -2.751 24.834 1069 HA PRO 145 HA PRO 145 -6.758 -7.345 24.207 1070 HB2 PRO 145 1HB PRO 145 -8.104 -7.838 26.513 1071 HB3 PRO 145 2HB PRO 145 -6.392 -8.222 26.299 1072 HG2 PRO 145 1HG PRO 145 -7.650 -5.865 27.651 1073 HG3 PRO 145 2HG PRO 145 -6.269 -6.848 28.171 1074 HD2 PRO 145 1HD PRO 145 -5.974 -4.432 26.983 1075 HD3 PRO 145 2HD PRO 145 -4.801 -5.748 26.775 1076 H SER 146 H SER 146 -8.188 -6.545 22.688 1077 HA SER 146 HA SER 146 -10.220 -4.750 22.944 1078 HB2 SER 146 1HB SER 146 -9.910 -7.200 21.247 1079 HB3 SER 146 2HB SER 146 -11.430 -6.306 21.205 1080 HG SER 146 HG SER 146 -9.516 -5.735 19.725 1081 H SER 147 H SER 147 -10.383 -8.217 23.677 1082 HA SER 147 HA SER 147 -13.110 -8.260 24.395 1083 HB2 SER 147 1HB SER 147 -10.773 -10.071 24.850 1084 HB3 SER 147 2HB SER 147 -12.250 -10.347 25.773 1085 HG SER 147 HG SER 147 -12.761 -11.427 24.023 1086 H GLY 148 H GLY 148 -10.163 -8.005 26.375 1087 HA2 GLY 148 1HA GLY 148 -11.862 -6.963 28.559 1088 HA3 GLY 148 2HA GLY 148 -10.475 -8.002 28.851 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -25.952 30.328 6.729 2 HA2 GLY 1 1HA GLY 1 -27.254 27.923 6.936 3 HA3 GLY 1 2HA GLY 1 -27.802 28.839 8.332 4 H SER 2 H SER 2 -27.958 28.481 4.895 5 HA SER 2 HA SER 2 -30.371 30.067 4.816 6 HB2 SER 2 1HB SER 2 -28.312 31.616 4.440 7 HB3 SER 2 2HB SER 2 -28.233 30.850 2.853 8 HG SER 2 HG SER 2 -30.350 31.560 2.467 9 H SER 3 H SER 3 -31.750 29.395 3.250 10 HA SER 3 HA SER 3 -30.846 27.147 1.601 11 HB2 SER 3 1HB SER 3 -33.289 26.696 1.314 12 HB3 SER 3 2HB SER 3 -32.761 26.652 2.996 13 HG SER 3 HG SER 3 -34.755 27.891 2.429 14 H GLY 4 H GLY 4 -31.752 26.962 -0.604 15 HA2 GLY 4 1HA GLY 4 -31.934 29.628 -1.869 16 HA3 GLY 4 2HA GLY 4 -31.137 28.249 -2.613 17 H SER 5 H SER 5 -32.264 27.379 -4.205 18 HA SER 5 HA SER 5 -35.044 26.723 -3.887 19 HB2 SER 5 1HB SER 5 -35.171 29.107 -4.572 20 HB3 SER 5 2HB SER 5 -34.278 28.711 -6.040 21 HG SER 5 HG SER 5 -36.683 27.397 -5.353 22 H SER 6 H SER 6 -35.869 25.437 -5.667 23 HA SER 6 HA SER 6 -33.800 23.765 -6.784 24 HB2 SER 6 1HB SER 6 -36.788 23.641 -6.629 25 HB3 SER 6 2HB SER 6 -35.948 22.631 -7.805 26 HG SER 6 HG SER 6 -35.555 22.671 -4.995 27 H GLY 7 H GLY 7 -34.303 22.964 -9.151 28 HA2 GLY 7 1HA GLY 7 -34.833 25.318 -10.848 29 HA3 GLY 7 2HA GLY 7 -33.391 24.344 -11.094 30 H MET 8 H MET 8 -34.721 24.505 -13.278 31 HA MET 8 HA MET 8 -36.172 21.959 -13.485 32 HB2 MET 8 1HB MET 8 -37.043 24.666 -14.387 33 HB3 MET 8 2HB MET 8 -37.459 23.282 -15.389 34 HG2 MET 8 1HG MET 8 -38.897 22.417 -13.851 35 HG3 MET 8 2HG MET 8 -38.032 23.118 -12.485 36 HE1 MET 8 1HE MET 8 -41.663 24.648 -12.271 37 HE2 MET 8 2HE MET 8 -41.127 23.014 -12.664 38 HE3 MET 8 3HE MET 8 -40.384 23.889 -11.324 39 H THR 9 H THR 9 -36.166 21.038 -15.656 40 HA THR 9 HA THR 9 -33.607 21.026 -16.808 41 HB THR 9 HB THR 9 -34.661 19.731 -18.668 42 HG1 THR 9 1HG THR 9 -36.708 20.596 -18.770 43 HG21 THR 9 1HG2 THR 9 -34.666 19.067 -15.835 44 HG22 THR 9 2HG2 THR 9 -34.146 18.105 -17.219 45 HG23 THR 9 3HG2 THR 9 -35.846 18.129 -16.750 46 H VAL 10 H VAL 10 -33.439 21.272 -19.338 47 HA VAL 10 HA VAL 10 -34.901 23.411 -20.531 48 HB VAL 10 HB VAL 10 -33.470 24.708 -18.981 49 HG11 VAL 10 1HG1 VAL 10 -31.555 23.209 -18.892 50 HG12 VAL 10 2HG1 VAL 10 -31.199 23.541 -20.588 51 HG13 VAL 10 3HG1 VAL 10 -31.055 24.826 -19.388 52 HG21 VAL 10 1HG2 VAL 10 -33.413 26.358 -20.482 53 HG22 VAL 10 2HG2 VAL 10 -32.248 25.505 -21.494 54 HG23 VAL 10 3HG2 VAL 10 -33.971 25.166 -21.657 55 H SER 11 H SER 11 -34.665 23.407 -22.710 56 HA SER 11 HA SER 11 -33.490 21.230 -23.990 57 HB2 SER 11 1HB SER 11 -35.287 22.968 -24.806 58 HB3 SER 11 2HB SER 11 -33.884 23.807 -25.467 59 HG SER 11 HG SER 11 -35.047 21.410 -26.230 60 H GLY 12 H GLY 12 -31.895 21.602 -25.919 61 HA2 GLY 12 1HA GLY 12 -29.659 23.300 -25.020 62 HA3 GLY 12 2HA GLY 12 -29.387 21.608 -25.410 63 HA PRO 13 HA PRO 13 -29.356 24.557 -29.216 64 HB2 PRO 13 1HB PRO 13 -26.740 25.278 -29.294 65 HB3 PRO 13 2HB PRO 13 -27.976 26.234 -28.467 66 HG2 PRO 13 1HG PRO 13 -26.011 24.285 -27.326 67 HG3 PRO 13 2HG PRO 13 -26.498 25.875 -26.708 68 HD2 PRO 13 1HD PRO 13 -27.484 23.559 -25.709 69 HD3 PRO 13 2HD PRO 13 -28.437 25.056 -25.770 70 H GLY 14 H GLY 14 -26.908 22.314 -27.979 71 HA2 GLY 14 1HA GLY 14 -27.202 20.531 -30.157 72 HA3 GLY 14 2HA GLY 14 -25.767 21.518 -30.394 73 H THR 15 H THR 15 -25.752 18.710 -30.078 74 HA THR 15 HA THR 15 -24.548 18.389 -27.410 75 HB THR 15 HB THR 15 -24.807 15.924 -27.822 76 HG1 THR 15 1HG THR 15 -26.492 15.509 -29.508 77 HG21 THR 15 1HG2 THR 15 -26.588 17.703 -26.809 78 HG22 THR 15 2HG2 THR 15 -26.824 15.955 -26.807 79 HG23 THR 15 3HG2 THR 15 -27.558 16.942 -28.070 80 HA PRO 16 HA PRO 16 -20.962 18.370 -30.311 81 HB2 PRO 16 1HB PRO 16 -19.294 19.652 -28.596 82 HB3 PRO 16 2HB PRO 16 -20.406 20.506 -29.672 83 HG2 PRO 16 1HG PRO 16 -20.708 19.855 -26.766 84 HG3 PRO 16 2HG PRO 16 -21.091 21.361 -27.621 85 HD2 PRO 16 1HD PRO 16 -22.984 19.547 -26.946 86 HD3 PRO 16 2HD PRO 16 -23.101 20.552 -28.405 87 H GLU 17 H GLU 17 -18.625 17.684 -29.741 88 HA GLU 17 HA GLU 17 -18.815 15.338 -27.987 89 HB2 GLU 17 1HB GLU 17 -17.065 14.352 -29.267 90 HB3 GLU 17 2HB GLU 17 -18.204 15.045 -30.413 91 HG2 GLU 17 1HG GLU 17 -16.279 15.783 -31.340 92 HG3 GLU 17 2HG GLU 17 -16.568 17.115 -30.222 93 HA PRO 18 HA PRO 18 -16.074 17.116 -25.042 94 HB2 PRO 18 1HB PRO 18 -15.070 14.844 -23.945 95 HB3 PRO 18 2HB PRO 18 -16.715 15.414 -23.639 96 HG2 PRO 18 1HG PRO 18 -15.764 13.309 -25.543 97 HG3 PRO 18 2HG PRO 18 -17.170 13.287 -24.462 98 HD2 PRO 18 1HD PRO 18 -17.374 13.824 -27.108 99 HD3 PRO 18 2HD PRO 18 -18.452 14.552 -25.900 100 H ARG 19 H ARG 19 -14.196 18.065 -25.497 101 HA ARG 19 HA ARG 19 -12.350 17.070 -27.394 102 HB2 ARG 19 1HB ARG 19 -12.283 19.315 -25.398 103 HB3 ARG 19 2HB ARG 19 -10.857 18.912 -26.346 104 HG2 ARG 19 1HG ARG 19 -12.095 20.722 -27.376 105 HG3 ARG 19 2HG ARG 19 -12.118 19.289 -28.405 106 HD2 ARG 19 1HD ARG 19 -14.356 18.739 -27.597 107 HD3 ARG 19 2HD ARG 19 -14.330 20.154 -26.545 108 HE ARG 19 HE ARG 19 -14.795 20.108 -29.391 109 HH11 ARG 19 2HH1 ARG 19 -13.867 22.033 -26.643 110 HH12 ARG 19 1HH1 ARG 19 -14.312 23.536 -27.380 111 HH21 ARG 19 2HH2 ARG 19 -15.385 22.081 -30.373 112 HH22 ARG 19 1HH2 ARG 19 -15.176 23.562 -29.502 113 HA PRO 20 HA PRO 20 -9.902 14.329 -24.973 114 HB2 PRO 20 1HB PRO 20 -7.600 14.420 -26.409 115 HB3 PRO 20 2HB PRO 20 -9.047 13.572 -26.967 116 HG2 PRO 20 1HG PRO 20 -8.036 16.289 -27.715 117 HG3 PRO 20 2HG PRO 20 -8.711 15.021 -28.755 118 HD2 PRO 20 1HD PRO 20 -10.160 17.154 -27.931 119 HD3 PRO 20 2HD PRO 20 -10.886 15.558 -28.213 120 H ALA 21 H ALA 21 -9.584 15.359 -23.013 121 HA ALA 21 HA ALA 21 -7.456 17.366 -22.835 122 HB1 ALA 21 1HB ALA 21 -8.361 18.039 -20.791 123 HB2 ALA 21 2HB ALA 21 -9.772 17.667 -21.781 124 HB3 ALA 21 3HB ALA 21 -9.221 16.515 -20.565 125 H THR 22 H THR 22 -5.848 15.656 -23.264 126 HA THR 22 HA THR 22 -4.582 14.824 -20.885 127 HB THR 22 HB THR 22 -6.435 13.111 -21.016 128 HG1 THR 22 1HG THR 22 -4.885 11.344 -20.680 129 HG21 THR 22 1HG2 THR 22 -6.461 12.825 -23.449 130 HG22 THR 22 2HG2 THR 22 -6.170 11.289 -22.632 131 HG23 THR 22 3HG2 THR 22 -4.832 12.153 -23.391 132 HA PRO 23 HA PRO 23 -1.242 14.901 -23.761 133 HB2 PRO 23 1HB PRO 23 0.660 13.752 -22.202 134 HB3 PRO 23 2HB PRO 23 0.092 15.408 -21.960 135 HG2 PRO 23 1HG PRO 23 -0.689 12.907 -20.512 136 HG3 PRO 23 2HG PRO 23 -0.345 14.519 -19.857 137 HD2 PRO 23 1HD PRO 23 -2.867 13.605 -20.229 138 HD3 PRO 23 2HD PRO 23 -2.439 15.321 -20.390 139 H GLY 24 H GLY 24 -1.859 11.877 -21.995 140 HA2 GLY 24 1HA GLY 24 -2.027 10.290 -24.302 141 HA3 GLY 24 2HA GLY 24 -0.385 10.178 -23.684 142 H ALA 25 H ALA 25 -1.301 10.506 -20.892 143 HA ALA 25 HA ALA 25 -1.886 9.206 -19.118 144 HB1 ALA 25 1HB ALA 25 -3.756 7.395 -19.913 145 HB2 ALA 25 2HB ALA 25 -4.102 9.054 -19.423 146 HB3 ALA 25 3HB ALA 25 -3.939 8.655 -21.133 147 H SER 26 H SER 26 0.318 8.413 -20.793 148 HA SER 26 HA SER 26 0.250 5.491 -20.410 149 HB2 SER 26 1HB SER 26 1.925 7.069 -22.379 150 HB3 SER 26 2HB SER 26 1.921 5.315 -22.197 151 HG SER 26 HG SER 26 -0.514 5.719 -22.579 152 H SER 27 H SER 27 1.984 8.464 -19.861 153 HA SER 27 HA SER 27 4.343 7.222 -18.805 154 HB2 SER 27 1HB SER 27 3.305 10.034 -18.940 155 HB3 SER 27 2HB SER 27 4.675 9.655 -17.896 156 HG SER 27 HG SER 27 5.871 9.655 -19.610 157 H VAL 28 H VAL 28 4.635 6.424 -16.835 158 HA VAL 28 HA VAL 28 2.754 5.961 -14.948 159 HB VAL 28 HB VAL 28 4.823 4.898 -14.628 160 HG11 VAL 28 1HG1 VAL 28 5.900 7.463 -15.307 161 HG12 VAL 28 2HG1 VAL 28 6.653 6.876 -13.823 162 HG13 VAL 28 3HG1 VAL 28 6.697 5.890 -15.286 163 HG21 VAL 28 1HG2 VAL 28 4.887 4.986 -12.388 164 HG22 VAL 28 2HG2 VAL 28 5.264 6.709 -12.369 165 HG23 VAL 28 3HG2 VAL 28 3.594 6.174 -12.553 166 H GLU 29 H GLU 29 4.661 8.906 -15.290 167 HA GLU 29 HA GLU 29 3.916 10.148 -12.887 168 HB2 GLU 29 1HB GLU 29 4.975 12.017 -13.690 169 HB3 GLU 29 2HB GLU 29 5.677 10.798 -14.744 170 HG2 GLU 29 1HG GLU 29 3.897 11.362 -16.418 171 HG3 GLU 29 2HG GLU 29 3.460 12.722 -15.385 172 H GLN 30 H GLN 30 2.409 10.155 -16.085 173 HA GLN 30 HA GLN 30 0.275 11.901 -15.196 174 HB2 GLN 30 1HB GLN 30 0.951 12.256 -17.438 175 HB3 GLN 30 2HB GLN 30 0.896 10.537 -17.808 176 HG2 GLN 30 1HG GLN 30 -0.979 11.515 -18.847 177 HG3 GLN 30 2HG GLN 30 -1.582 10.639 -17.441 178 HE21 GLN 30 1HE2 GLN 30 -1.814 11.983 -15.440 179 HE22 GLN 30 2HE2 GLN 30 -2.442 13.581 -15.633 180 H LEU 31 H LEU 31 0.288 8.683 -16.741 181 HA LEU 31 HA LEU 31 -2.233 7.858 -16.397 182 HB2 LEU 31 1HB LEU 31 -1.504 5.709 -16.610 183 HB3 LEU 31 2HB LEU 31 -0.063 6.581 -17.130 184 HG LEU 31 HG LEU 31 0.746 6.316 -14.715 185 HD11 LEU 31 1HD1 LEU 31 -1.815 5.126 -14.484 186 HD12 LEU 31 2HD1 LEU 31 -0.572 5.313 -13.247 187 HD13 LEU 31 3HD1 LEU 31 -0.605 3.864 -14.252 188 HD21 LEU 31 1HD2 LEU 31 0.431 3.835 -16.401 189 HD22 LEU 31 2HD2 LEU 31 1.669 4.132 -15.180 190 HD23 LEU 31 3HD2 LEU 31 1.643 5.090 -16.661 191 H ARG 32 H ARG 32 0.099 8.294 -13.831 192 HA ARG 32 HA ARG 32 -0.881 6.917 -11.721 193 HB2 ARG 32 1HB ARG 32 0.967 8.798 -11.902 194 HB3 ARG 32 2HB ARG 32 -0.320 9.814 -11.265 195 HG2 ARG 32 1HG ARG 32 -0.442 8.600 -9.264 196 HG3 ARG 32 2HG ARG 32 0.477 7.250 -9.932 197 HD2 ARG 32 1HD ARG 32 2.125 8.250 -8.718 198 HD3 ARG 32 2HD ARG 32 2.316 9.128 -10.235 199 HE ARG 32 HE ARG 32 0.504 10.566 -8.722 200 HH11 ARG 32 2HH1 ARG 32 3.823 9.549 -8.457 201 HH12 ARG 32 1HH1 ARG 32 4.301 10.912 -7.502 202 HH21 ARG 32 2HH2 ARG 32 1.121 12.366 -7.465 203 HH22 ARG 32 1HH2 ARG 32 2.763 12.514 -6.937 204 H LYS 33 H LYS 33 -2.026 10.191 -12.566 205 HA LYS 33 HA LYS 33 -4.062 10.469 -10.770 206 HB2 LYS 33 1HB LYS 33 -4.073 11.313 -13.674 207 HB3 LYS 33 2HB LYS 33 -5.182 11.917 -12.449 208 HG2 LYS 33 1HG LYS 33 -2.199 12.187 -12.212 209 HG3 LYS 33 2HG LYS 33 -3.214 13.391 -13.011 210 HD2 LYS 33 1HD LYS 33 -4.250 14.015 -11.043 211 HD3 LYS 33 2HD LYS 33 -3.906 12.474 -10.253 212 HE2 LYS 33 1HE LYS 33 -1.451 13.160 -10.372 213 HE3 LYS 33 2HE LYS 33 -2.040 14.773 -10.768 214 HZ1 LYS 33 1HZ LYS 33 -2.046 15.036 -8.559 215 HZ2 LYS 33 2HZ LYS 33 -2.053 13.375 -8.240 216 HZ3 LYS 33 3HZ LYS 33 -3.500 14.172 -8.602 217 H GLU 34 H GLU 34 -4.011 8.471 -13.637 218 HA GLU 34 HA GLU 34 -6.676 7.962 -14.070 219 HB2 GLU 34 1HB GLU 34 -4.704 7.058 -15.367 220 HB3 GLU 34 2HB GLU 34 -4.540 5.831 -14.120 221 HG2 GLU 34 1HG GLU 34 -5.775 4.702 -15.669 222 HG3 GLU 34 2HG GLU 34 -7.054 5.369 -14.657 223 H GLY 35 H GLY 35 -4.536 6.092 -11.907 224 HA2 GLY 35 1HA GLY 35 -6.772 4.679 -10.760 225 HA3 GLY 35 2HA GLY 35 -5.090 4.551 -10.266 226 H ASN 36 H ASN 36 -4.890 7.499 -9.945 227 HA ASN 36 HA ASN 36 -5.375 7.679 -7.214 228 HB2 ASN 36 1HB ASN 36 -3.982 9.191 -8.888 229 HB3 ASN 36 2HB ASN 36 -5.446 10.169 -8.863 230 HD21 ASN 36 1HD2 ASN 36 -2.843 10.877 -7.892 231 HD22 ASN 36 2HD2 ASN 36 -3.005 11.197 -6.202 232 H GLU 37 H GLU 37 -7.360 8.768 -9.938 233 HA GLU 37 HA GLU 37 -9.374 9.978 -8.344 234 HB2 GLU 37 1HB GLU 37 -9.416 8.965 -11.190 235 HB3 GLU 37 2HB GLU 37 -10.741 9.850 -10.446 236 HG2 GLU 37 1HG GLU 37 -9.062 11.695 -9.994 237 HG3 GLU 37 2HG GLU 37 -7.977 10.829 -11.081 238 H LEU 38 H LEU 38 -8.923 6.751 -9.672 239 HA LEU 38 HA LEU 38 -11.519 5.797 -8.981 240 HB2 LEU 38 1HB LEU 38 -8.962 4.314 -9.569 241 HB3 LEU 38 2HB LEU 38 -10.548 3.561 -9.405 242 HG LEU 38 HG LEU 38 -10.056 5.677 -11.473 243 HD11 LEU 38 1HD1 LEU 38 -9.878 3.363 -12.874 244 HD12 LEU 38 2HD1 LEU 38 -8.995 2.942 -11.408 245 HD13 LEU 38 3HD1 LEU 38 -8.496 4.335 -12.367 246 HD21 LEU 38 1HD2 LEU 38 -12.357 4.731 -10.760 247 HD22 LEU 38 2HD2 LEU 38 -11.865 3.300 -11.667 248 HD23 LEU 38 3HD2 LEU 38 -11.978 4.863 -12.478 249 H PHE 39 H PHE 39 -8.621 6.308 -7.229 250 HA PHE 39 HA PHE 39 -9.285 4.423 -5.125 251 HB2 PHE 39 1HB PHE 39 -6.912 4.970 -5.883 252 HB3 PHE 39 2HB PHE 39 -7.109 6.512 -5.056 253 HD1 PHE 39 1HD PHE 39 -7.023 2.853 -4.575 254 HD2 PHE 39 2HD PHE 39 -6.898 6.680 -2.715 255 HE1 PHE 39 1HE PHE 39 -6.341 1.799 -2.459 256 HE2 PHE 39 2HE PHE 39 -6.215 5.631 -0.597 257 HZ PHE 39 HZ PHE 39 -5.934 3.188 -0.467 258 H LYS 40 H LYS 40 -8.965 7.949 -5.467 259 HA LYS 40 HA LYS 40 -9.831 8.592 -2.867 260 HB2 LYS 40 1HB LYS 40 -10.174 10.859 -3.746 261 HB3 LYS 40 2HB LYS 40 -8.633 10.191 -4.267 262 HG2 LYS 40 1HG LYS 40 -9.957 9.493 -6.393 263 HG3 LYS 40 2HG LYS 40 -11.097 10.731 -5.860 264 HD2 LYS 40 1HD LYS 40 -8.862 12.145 -5.626 265 HD3 LYS 40 2HD LYS 40 -8.311 11.006 -6.856 266 HE2 LYS 40 1HE LYS 40 -9.192 12.608 -8.214 267 HE3 LYS 40 2HE LYS 40 -10.641 11.640 -7.949 268 HZ1 LYS 40 1HZ LYS 40 -9.982 14.302 -6.970 269 HZ2 LYS 40 2HZ LYS 40 -10.825 13.297 -5.902 270 HZ3 LYS 40 3HZ LYS 40 -11.478 13.654 -7.421 271 H CYS 41 H CYS 41 -11.529 7.235 -5.401 272 HA CYS 41 HA CYS 41 -14.093 8.340 -4.481 273 HB2 CYS 41 1HB CYS 41 -13.208 7.092 -7.063 274 HB3 CYS 41 2HB CYS 41 -14.912 7.100 -6.625 275 HG CYS 41 HG CYS 41 -13.871 10.128 -6.160 276 H GLY 42 H GLY 42 -12.152 5.497 -4.570 277 HA2 GLY 42 1HA GLY 42 -12.785 3.842 -2.828 278 HA3 GLY 42 2HA GLY 42 -14.416 3.943 -3.475 279 H ASP 43 H ASP 43 -13.558 4.004 -6.249 280 HA ASP 43 HA ASP 43 -13.696 1.322 -6.893 281 HB2 ASP 43 1HB ASP 43 -12.415 3.530 -8.519 282 HB3 ASP 43 2HB ASP 43 -12.942 1.971 -9.147 283 H TYR 44 H TYR 44 -12.294 0.013 -5.773 284 HA TYR 44 HA TYR 44 -9.445 0.520 -5.829 285 HB2 TYR 44 1HB TYR 44 -10.874 -1.927 -4.780 286 HB3 TYR 44 2HB TYR 44 -9.242 -1.394 -4.389 287 HD1 TYR 44 1HD TYR 44 -9.408 1.328 -3.660 288 HD2 TYR 44 2HD TYR 44 -12.270 -1.741 -2.960 289 HE1 TYR 44 1HE TYR 44 -10.276 2.585 -1.732 290 HE2 TYR 44 2HE TYR 44 -13.147 -0.492 -1.031 291 HH TYR 44 HH TYR 44 -11.519 2.185 0.318 292 H GLY 45 H GLY 45 -11.729 -1.789 -7.234 293 HA2 GLY 45 1HA GLY 45 -10.014 -3.603 -8.395 294 HA3 GLY 45 2HA GLY 45 -11.548 -3.116 -9.102 295 H GLY 46 H GLY 46 -10.735 -0.332 -9.451 296 HA2 GLY 46 1HA GLY 46 -9.251 -0.715 -11.933 297 HA3 GLY 46 2HA GLY 46 -10.115 0.736 -11.449 298 H ALA 47 H ALA 47 -9.094 1.612 -9.231 299 HA ALA 47 HA ALA 47 -6.834 2.959 -9.742 300 HB1 ALA 47 1HB ALA 47 -8.363 2.674 -7.537 301 HB2 ALA 47 2HB ALA 47 -6.869 1.912 -6.992 302 HB3 ALA 47 3HB ALA 47 -6.848 3.575 -7.577 303 H LEU 48 H LEU 48 -6.935 -0.337 -8.440 304 HA LEU 48 HA LEU 48 -4.199 -0.696 -8.028 305 HB2 LEU 48 1HB LEU 48 -5.916 -2.231 -7.206 306 HB3 LEU 48 2HB LEU 48 -6.260 -2.734 -8.860 307 HG LEU 48 HG LEU 48 -4.786 -4.221 -7.301 308 HD11 LEU 48 1HD1 LEU 48 -3.869 -3.631 -10.109 309 HD12 LEU 48 2HD1 LEU 48 -5.300 -4.580 -9.710 310 HD13 LEU 48 3HD1 LEU 48 -3.703 -5.147 -9.222 311 HD21 LEU 48 1HD2 LEU 48 -2.504 -3.753 -7.212 312 HD22 LEU 48 2HD2 LEU 48 -3.262 -2.198 -6.869 313 HD23 LEU 48 3HD2 LEU 48 -2.608 -2.526 -8.475 314 H ALA 49 H ALA 49 -6.171 -1.410 -10.898 315 HA ALA 49 HA ALA 49 -4.224 -2.526 -12.516 316 HB1 ALA 49 1HB ALA 49 -5.663 -1.268 -14.371 317 HB2 ALA 49 2HB ALA 49 -6.257 -2.689 -13.512 318 HB3 ALA 49 3HB ALA 49 -6.761 -1.078 -13.003 319 H ALA 50 H ALA 50 -5.072 0.906 -12.137 320 HA ALA 50 HA ALA 50 -3.278 1.947 -14.011 321 HB1 ALA 50 1HB ALA 50 -4.013 3.371 -11.472 322 HB2 ALA 50 2HB ALA 50 -3.695 4.052 -13.068 323 HB3 ALA 50 3HB ALA 50 -5.172 3.133 -12.780 324 H TYR 51 H TYR 51 -2.870 1.451 -10.511 325 HA TYR 51 HA TYR 51 -0.294 2.470 -10.263 326 HB2 TYR 51 1HB TYR 51 -1.539 0.176 -8.732 327 HB3 TYR 51 2HB TYR 51 -0.122 1.091 -8.230 328 HD1 TYR 51 1HD TYR 51 -1.123 3.841 -9.042 329 HD2 TYR 51 2HD TYR 51 -2.981 0.657 -6.918 330 HE1 TYR 51 1HE TYR 51 -2.573 5.461 -7.893 331 HE2 TYR 51 2HE TYR 51 -4.437 2.268 -5.764 332 HH TYR 51 HH TYR 51 -4.316 5.728 -6.527 333 H THR 52 H THR 52 -1.354 -0.822 -11.044 334 HA THR 52 HA THR 52 1.060 -2.145 -11.048 335 HB THR 52 HB THR 52 -1.180 -2.543 -13.041 336 HG1 THR 52 1HG THR 52 -1.478 -2.689 -10.566 337 HG21 THR 52 1HG2 THR 52 1.278 -4.075 -12.371 338 HG22 THR 52 2HG2 THR 52 0.449 -3.886 -13.916 339 HG23 THR 52 3HG2 THR 52 -0.195 -4.987 -12.698 340 H GLN 53 H GLN 53 -0.413 -0.352 -13.747 341 HA GLN 53 HA GLN 53 1.593 -0.804 -15.633 342 HB2 GLN 53 1HB GLN 53 0.152 1.818 -15.540 343 HB3 GLN 53 2HB GLN 53 0.571 0.827 -16.931 344 HG2 GLN 53 1HG GLN 53 -1.114 -0.854 -15.773 345 HG3 GLN 53 2HG GLN 53 -1.747 0.646 -15.096 346 HE21 GLN 53 1HE2 GLN 53 -1.969 2.430 -16.812 347 HE22 GLN 53 2HE2 GLN 53 -2.721 1.948 -18.291 348 H ALA 54 H ALA 54 1.184 1.956 -13.420 349 HA ALA 54 HA ALA 54 3.345 3.485 -14.106 350 HB1 ALA 54 1HB ALA 54 1.790 3.080 -11.648 351 HB2 ALA 54 2HB ALA 54 3.396 3.770 -11.413 352 HB3 ALA 54 3HB ALA 54 2.240 4.570 -12.478 353 H LEU 55 H LEU 55 3.380 0.944 -11.598 354 HA LEU 55 HA LEU 55 6.102 1.015 -11.048 355 HB2 LEU 55 1HB LEU 55 4.001 -1.094 -10.819 356 HB3 LEU 55 2HB LEU 55 5.684 -1.504 -10.495 357 HG LEU 55 HG LEU 55 4.137 0.645 -9.050 358 HD11 LEU 55 1HD1 LEU 55 4.532 -1.190 -7.176 359 HD12 LEU 55 2HD1 LEU 55 4.445 -2.264 -8.571 360 HD13 LEU 55 3HD1 LEU 55 3.097 -1.188 -8.202 361 HD21 LEU 55 1HD2 LEU 55 6.305 -0.266 -7.543 362 HD22 LEU 55 2HD2 LEU 55 6.144 1.293 -8.352 363 HD23 LEU 55 3HD2 LEU 55 6.927 -0.055 -9.180 364 H GLY 56 H GLY 56 4.344 -0.928 -13.445 365 HA2 GLY 56 1HA GLY 56 6.327 -2.555 -14.400 366 HA3 GLY 56 2HA GLY 56 5.079 -1.855 -15.420 367 H LEU 57 H LEU 57 5.867 0.870 -15.123 368 HA LEU 57 HA LEU 57 7.944 0.944 -17.096 369 HB2 LEU 57 1HB LEU 57 6.585 3.177 -15.596 370 HB3 LEU 57 2HB LEU 57 7.649 3.381 -16.986 371 HG LEU 57 HG LEU 57 5.009 1.923 -17.048 372 HD11 LEU 57 1HD1 LEU 57 4.665 4.120 -18.579 373 HD12 LEU 57 2HD1 LEU 57 5.706 4.768 -17.312 374 HD13 LEU 57 3HD1 LEU 57 4.173 4.004 -16.890 375 HD21 LEU 57 1HD2 LEU 57 7.170 2.425 -19.010 376 HD22 LEU 57 2HD2 LEU 57 5.509 2.577 -19.585 377 HD23 LEU 57 3HD2 LEU 57 6.059 1.063 -18.866 378 H ASP 58 H ASP 58 9.891 2.271 -16.895 379 HA ASP 58 HA ASP 58 11.299 1.652 -14.468 380 HB2 ASP 58 1HB ASP 58 13.173 2.940 -15.679 381 HB3 ASP 58 2HB ASP 58 12.617 1.430 -16.396 382 H ALA 59 H ALA 59 9.272 3.251 -13.710 383 HA ALA 59 HA ALA 59 9.722 6.012 -13.719 384 HB1 ALA 59 1HB ALA 59 8.503 4.945 -11.273 385 HB2 ALA 59 2HB ALA 59 7.886 6.123 -12.433 386 HB3 ALA 59 3HB ALA 59 7.755 4.397 -12.774 387 H THR 60 H THR 60 10.638 7.410 -12.189 388 HA THR 60 HA THR 60 13.127 6.822 -11.215 389 HB THR 60 HB THR 60 12.519 8.713 -9.450 390 HG1 THR 60 1HG THR 60 10.588 9.265 -11.441 391 HG21 THR 60 1HG2 THR 60 14.050 9.319 -11.068 392 HG22 THR 60 2HG2 THR 60 12.688 10.361 -11.482 393 HG23 THR 60 3HG2 THR 60 12.978 8.882 -12.397 394 HA PRO 61 HA PRO 61 12.775 4.459 -7.534 395 HB2 PRO 61 1HB PRO 61 14.702 5.549 -5.962 396 HB3 PRO 61 2HB PRO 61 15.065 4.549 -7.374 397 HG2 PRO 61 1HG PRO 61 15.062 7.531 -7.115 398 HG3 PRO 61 2HG PRO 61 16.232 6.481 -7.934 399 HD2 PRO 61 1HD PRO 61 14.309 7.839 -9.272 400 HD3 PRO 61 2HD PRO 61 14.911 6.258 -9.809 401 H GLN 62 H GLN 62 12.346 7.885 -7.396 402 HA GLN 62 HA GLN 62 11.497 7.921 -4.633 403 HB2 GLN 62 1HB GLN 62 11.504 10.011 -6.808 404 HB3 GLN 62 2HB GLN 62 10.859 10.308 -5.199 405 HG2 GLN 62 1HG GLN 62 13.145 9.583 -4.336 406 HG3 GLN 62 2HG GLN 62 13.692 9.754 -6.003 407 HE21 GLN 62 1HE2 GLN 62 15.096 11.323 -4.743 408 HE22 GLN 62 2HE2 GLN 62 14.527 12.951 -4.647 409 H ASP 63 H ASP 63 10.052 7.619 -7.776 410 HA ASP 63 HA ASP 63 7.371 8.156 -6.835 411 HB2 ASP 63 1HB ASP 63 8.613 7.448 -9.458 412 HB3 ASP 63 2HB ASP 63 6.892 7.143 -9.235 413 H GLN 64 H GLN 64 9.354 5.358 -7.619 414 HA GLN 64 HA GLN 64 7.444 3.360 -7.657 415 HB2 GLN 64 1HB GLN 64 10.331 3.451 -6.904 416 HB3 GLN 64 2HB GLN 64 9.419 1.989 -6.553 417 HG2 GLN 64 1HG GLN 64 9.150 1.457 -8.753 418 HG3 GLN 64 2HG GLN 64 9.230 3.136 -9.284 419 HE21 GLN 64 1HE2 GLN 64 10.659 2.188 -10.921 420 HE22 GLN 64 2HE2 GLN 64 12.335 2.006 -10.546 421 H ALA 65 H ALA 65 9.213 4.635 -4.846 422 HA ALA 65 HA ALA 65 8.216 3.025 -2.859 423 HB1 ALA 65 1HB ALA 65 9.594 5.493 -2.999 424 HB2 ALA 65 2HB ALA 65 8.275 5.681 -1.843 425 HB3 ALA 65 3HB ALA 65 9.456 4.390 -1.629 426 H VAL 66 H VAL 66 6.687 5.849 -4.335 427 HA VAL 66 HA VAL 66 4.477 6.014 -2.596 428 HB VAL 66 HB VAL 66 4.712 6.862 -5.486 429 HG11 VAL 66 1HG1 VAL 66 2.774 8.261 -5.092 430 HG12 VAL 66 2HG1 VAL 66 2.370 6.572 -4.777 431 HG13 VAL 66 3HG1 VAL 66 2.659 7.677 -3.432 432 HG21 VAL 66 1HG2 VAL 66 5.485 8.070 -2.901 433 HG22 VAL 66 2HG2 VAL 66 6.202 8.259 -4.502 434 HG23 VAL 66 3HG2 VAL 66 4.735 9.144 -4.083 435 H LEU 67 H LEU 67 4.791 4.494 -5.804 436 HA LEU 67 HA LEU 67 2.188 3.446 -5.910 437 HB2 LEU 67 1HB LEU 67 4.674 2.329 -7.196 438 HB3 LEU 67 2HB LEU 67 3.009 2.015 -7.683 439 HG LEU 67 HG LEU 67 4.007 4.824 -7.719 440 HD11 LEU 67 1HD1 LEU 67 4.748 4.414 -10.086 441 HD12 LEU 67 2HD1 LEU 67 4.718 2.690 -9.717 442 HD13 LEU 67 3HD1 LEU 67 5.807 3.761 -8.835 443 HD21 LEU 67 1HD2 LEU 67 1.648 4.289 -8.172 444 HD22 LEU 67 2HD2 LEU 67 2.152 3.265 -9.516 445 HD23 LEU 67 3HD2 LEU 67 2.454 5.003 -9.569 446 H HIS 68 H HIS 68 5.023 2.398 -4.238 447 HA HIS 68 HA HIS 68 4.249 -0.326 -3.884 448 HB2 HIS 68 1HB HIS 68 6.356 1.465 -2.783 449 HB3 HIS 68 2HB HIS 68 5.952 0.024 -1.856 450 HD1 HIS 68 1HD HIS 68 6.111 -2.289 -3.314 451 HD2 HIS 68 2HD HIS 68 8.138 1.029 -4.778 452 HE1 HIS 68 1HE HIS 68 7.793 -3.196 -4.949 453 HE2 HIS 68 2HE HIS 68 9.065 -1.178 -5.758 454 H ARG 69 H ARG 69 4.116 2.552 -1.796 455 HA ARG 69 HA ARG 69 2.832 1.231 0.362 456 HB2 ARG 69 1HB ARG 69 2.322 3.573 1.133 457 HB3 ARG 69 2HB ARG 69 4.023 3.242 0.833 458 HG2 ARG 69 1HG ARG 69 4.043 4.506 -1.132 459 HG3 ARG 69 2HG ARG 69 2.283 4.507 -1.253 460 HD2 ARG 69 1HD ARG 69 2.273 5.817 0.914 461 HD3 ARG 69 2HD ARG 69 4.012 6.007 0.699 462 HE ARG 69 HE ARG 69 2.653 6.814 -1.641 463 HH11 ARG 69 2HH1 ARG 69 3.275 7.820 1.634 464 HH12 ARG 69 1HH1 ARG 69 3.124 9.509 1.281 465 HH21 ARG 69 2HH2 ARG 69 2.452 9.035 -2.117 466 HH22 ARG 69 1HH2 ARG 69 2.655 10.199 -0.852 467 H ASN 70 H ASN 70 1.701 2.693 -2.573 468 HA ASN 70 HA ASN 70 -1.040 2.913 -1.707 469 HB2 ASN 70 1HB ASN 70 0.432 3.391 -4.270 470 HB3 ASN 70 2HB ASN 70 -1.321 3.224 -4.307 471 HD21 ASN 70 1HD2 ASN 70 -2.568 4.881 -3.660 472 HD22 ASN 70 2HD2 ASN 70 -1.962 6.388 -3.072 473 H ARG 71 H ARG 71 0.667 0.902 -4.109 474 HA ARG 71 HA ARG 71 -1.297 -0.726 -4.995 475 HB2 ARG 71 1HB ARG 71 1.581 -1.181 -4.400 476 HB3 ARG 71 2HB ARG 71 0.594 -2.598 -4.730 477 HG2 ARG 71 1HG ARG 71 0.768 -0.213 -6.555 478 HG3 ARG 71 2HG ARG 71 1.766 -1.660 -6.714 479 HD2 ARG 71 1HD ARG 71 -1.196 -1.953 -6.560 480 HD3 ARG 71 2HD ARG 71 -0.471 -1.400 -8.069 481 HE ARG 71 HE ARG 71 0.484 -3.494 -8.360 482 HH11 ARG 71 2HH1 ARG 71 -1.091 -3.268 -5.264 483 HH12 ARG 71 1HH1 ARG 71 -1.037 -4.974 -4.966 484 HH21 ARG 71 2HH2 ARG 71 0.561 -5.741 -7.980 485 HH22 ARG 71 1HH2 ARG 71 -0.096 -6.380 -6.512 486 H ALA 72 H ALA 72 0.451 -1.143 -1.931 487 HA ALA 72 HA ALA 72 -0.713 -3.502 -1.064 488 HB1 ALA 72 1HB ALA 72 -0.397 -2.219 1.279 489 HB2 ALA 72 2HB ALA 72 0.933 -2.942 0.374 490 HB3 ALA 72 3HB ALA 72 0.612 -1.213 0.239 491 H ALA 73 H ALA 73 -1.914 -0.189 -0.800 492 HA ALA 73 HA ALA 73 -4.061 -0.571 0.902 493 HB1 ALA 73 1HB ALA 73 -5.036 1.413 -0.075 494 HB2 ALA 73 2HB ALA 73 -3.291 1.623 0.080 495 HB3 ALA 73 3HB ALA 73 -3.998 1.259 -1.494 496 H CYS 74 H CYS 74 -4.230 -0.554 -2.666 497 HA CYS 74 HA CYS 74 -6.783 -1.244 -3.127 498 HB2 CYS 74 1HB CYS 74 -4.581 -2.736 -4.542 499 HB3 CYS 74 2HB CYS 74 -6.127 -2.202 -5.190 500 HG CYS 74 HG CYS 74 -5.491 0.412 -5.470 501 H HIS 75 H HIS 75 -4.235 -3.542 -2.220 502 HA HIS 75 HA HIS 75 -5.828 -5.858 -2.301 503 HB2 HIS 75 1HB HIS 75 -3.234 -5.126 -1.009 504 HB3 HIS 75 2HB HIS 75 -4.021 -6.628 -0.534 505 HD1 HIS 75 1HD HIS 75 -5.068 -7.472 -3.341 506 HD2 HIS 75 2HD HIS 75 -1.212 -6.150 -2.539 507 HE1 HIS 75 1HE HIS 75 -3.639 -8.409 -5.186 508 HE2 HIS 75 2HE HIS 75 -1.297 -7.666 -4.633 509 H LEU 76 H LEU 76 -4.721 -4.049 0.572 510 HA LEU 76 HA LEU 76 -6.075 -5.295 2.549 511 HB2 LEU 76 1HB LEU 76 -5.764 -2.321 2.177 512 HB3 LEU 76 2HB LEU 76 -6.262 -3.087 3.684 513 HG LEU 76 HG LEU 76 -3.607 -3.565 2.334 514 HD11 LEU 76 1HD1 LEU 76 -4.076 -1.199 3.198 515 HD12 LEU 76 2HD1 LEU 76 -2.619 -2.013 3.768 516 HD13 LEU 76 3HD1 LEU 76 -4.043 -1.924 4.806 517 HD21 LEU 76 1HD2 LEU 76 -2.981 -4.664 4.349 518 HD22 LEU 76 2HD2 LEU 76 -4.521 -5.354 3.836 519 HD23 LEU 76 3HD2 LEU 76 -4.475 -4.179 5.152 520 H LYS 77 H LYS 77 -7.439 -2.903 0.323 521 HA LYS 77 HA LYS 77 -10.029 -2.906 1.517 522 HB2 LYS 77 1HB LYS 77 -8.861 -1.850 -1.029 523 HB3 LYS 77 2HB LYS 77 -10.610 -1.922 -0.852 524 HG2 LYS 77 1HG LYS 77 -9.760 0.269 -0.248 525 HG3 LYS 77 2HG LYS 77 -10.472 -0.537 1.152 526 HD2 LYS 77 1HD LYS 77 -8.308 -1.093 2.014 527 HD3 LYS 77 2HD LYS 77 -7.520 -0.535 0.536 528 HE2 LYS 77 1HE LYS 77 -8.385 1.749 1.016 529 HE3 LYS 77 2HE LYS 77 -8.998 1.148 2.556 530 HZ1 LYS 77 1HZ LYS 77 -6.787 2.264 2.662 531 HZ2 LYS 77 2HZ LYS 77 -6.145 0.984 1.764 532 HZ3 LYS 77 3HZ LYS 77 -6.807 0.695 3.293 533 H LEU 78 H LEU 78 -8.491 -4.724 -1.060 534 HA LEU 78 HA LEU 78 -10.995 -6.059 -1.731 535 HB2 LEU 78 1HB LEU 78 -8.224 -6.365 -2.878 536 HB3 LEU 78 2HB LEU 78 -9.671 -7.170 -3.482 537 HG LEU 78 HG LEU 78 -9.502 -4.178 -3.391 538 HD11 LEU 78 1HD1 LEU 78 -7.906 -4.138 -4.927 539 HD12 LEU 78 2HD1 LEU 78 -8.959 -5.051 -6.008 540 HD13 LEU 78 3HD1 LEU 78 -7.834 -5.900 -4.949 541 HD21 LEU 78 1HD2 LEU 78 -11.049 -4.450 -5.333 542 HD22 LEU 78 2HD2 LEU 78 -11.683 -5.059 -3.803 543 HD23 LEU 78 3HD2 LEU 78 -11.060 -6.184 -5.011 544 H GLU 79 H GLU 79 -10.008 -6.489 0.891 545 HA GLU 79 HA GLU 79 -9.396 -8.124 2.372 546 HB2 GLU 79 1HB GLU 79 -11.172 -9.399 0.353 547 HB3 GLU 79 2HB GLU 79 -10.363 -10.454 1.503 548 HG2 GLU 79 1HG GLU 79 -11.465 -9.536 3.321 549 HG3 GLU 79 2HG GLU 79 -11.875 -8.058 2.452 550 H ASP 80 H ASP 80 -7.293 -7.502 0.683 551 HA ASP 80 HA ASP 80 -6.040 -10.136 0.254 552 HB2 ASP 80 1HB ASP 80 -5.967 -7.633 -1.366 553 HB3 ASP 80 2HB ASP 80 -4.511 -8.624 -1.310 554 H TYR 81 H TYR 81 -6.046 -8.850 2.751 555 HA TYR 81 HA TYR 81 -3.920 -7.200 3.352 556 HB2 TYR 81 1HB TYR 81 -4.799 -9.492 5.110 557 HB3 TYR 81 2HB TYR 81 -4.106 -7.954 5.613 558 HD1 TYR 81 2HD TYR 81 -5.460 -5.894 5.519 559 HD2 TYR 81 1HD TYR 81 -7.134 -9.698 4.607 560 HE1 TYR 81 2HE TYR 81 -7.719 -4.955 5.774 561 HE2 TYR 81 1HE TYR 81 -9.398 -8.769 4.859 562 HH TYR 81 HH TYR 81 -10.088 -5.996 6.381 563 H ASP 82 H ASP 82 -3.948 -10.716 2.989 564 HA ASP 82 HA ASP 82 -1.507 -11.469 3.900 565 HB2 ASP 82 1HB ASP 82 -2.600 -12.362 1.227 566 HB3 ASP 82 2HB ASP 82 -1.523 -13.263 2.291 567 H LYS 83 H LYS 83 -2.021 -10.497 0.504 568 HA LYS 83 HA LYS 83 0.705 -10.288 -0.128 569 HB2 LYS 83 1HB LYS 83 -1.604 -8.816 -1.410 570 HB3 LYS 83 2HB LYS 83 -0.022 -9.094 -2.126 571 HG2 LYS 83 1HG LYS 83 -0.620 -11.610 -1.733 572 HG3 LYS 83 2HG LYS 83 -2.274 -10.994 -1.704 573 HD2 LYS 83 1HD LYS 83 -2.011 -10.046 -3.902 574 HD3 LYS 83 2HD LYS 83 -0.298 -10.470 -3.923 575 HE2 LYS 83 1HE LYS 83 -1.235 -12.172 -5.174 576 HE3 LYS 83 2HE LYS 83 -1.161 -12.893 -3.568 577 HZ1 LYS 83 1HZ LYS 83 -3.295 -13.325 -4.521 578 HZ2 LYS 83 2HZ LYS 83 -3.544 -11.687 -4.864 579 HZ3 LYS 83 3HZ LYS 83 -3.501 -12.218 -3.258 580 H ALA 84 H ALA 84 -1.653 -7.751 0.701 581 HA ALA 84 HA ALA 84 -0.272 -5.468 0.492 582 HB1 ALA 84 1HB ALA 84 -2.439 -6.352 2.090 583 HB2 ALA 84 2HB ALA 84 -1.377 -5.378 3.107 584 HB3 ALA 84 3HB ALA 84 -2.026 -4.705 1.612 585 H GLU 85 H GLU 85 -0.019 -7.567 3.368 586 HA GLU 85 HA GLU 85 1.803 -6.269 4.873 587 HB2 GLU 85 1HB GLU 85 0.845 -8.474 5.438 588 HB3 GLU 85 2HB GLU 85 1.904 -9.227 4.253 589 HG2 GLU 85 1HG GLU 85 3.787 -8.069 5.653 590 HG3 GLU 85 2HG GLU 85 2.556 -8.069 6.914 591 H THR 86 H THR 86 2.615 -8.361 2.114 592 HA THR 86 HA THR 86 5.404 -7.982 2.253 593 HB THR 86 HB THR 86 3.767 -8.627 -0.207 594 HG1 THR 86 1HG THR 86 4.528 -10.840 0.495 595 HG21 THR 86 1HG2 THR 86 5.692 -8.949 -1.303 596 HG22 THR 86 2HG2 THR 86 6.402 -9.831 0.049 597 HG23 THR 86 3HG2 THR 86 6.469 -8.069 0.012 598 H GLU 87 H GLU 87 3.175 -6.665 -0.207 599 HA GLU 87 HA GLU 87 4.790 -4.897 -1.463 600 HB2 GLU 87 1HB GLU 87 1.935 -4.351 -0.631 601 HB3 GLU 87 2HB GLU 87 2.806 -3.506 -1.903 602 HG2 GLU 87 1HG GLU 87 2.420 -6.474 -1.982 603 HG3 GLU 87 2HG GLU 87 1.187 -5.363 -2.575 604 H ALA 88 H ALA 88 2.859 -4.067 1.419 605 HA ALA 88 HA ALA 88 3.518 -1.518 1.909 606 HB1 ALA 88 1HB ALA 88 2.873 -3.796 3.585 607 HB2 ALA 88 2HB ALA 88 3.886 -2.617 4.420 608 HB3 ALA 88 3HB ALA 88 2.351 -2.115 3.710 609 H SER 89 H SER 89 5.551 -4.202 3.102 610 HA SER 89 HA SER 89 7.655 -2.749 4.098 611 HB2 SER 89 1HB SER 89 8.899 -4.722 4.080 612 HB3 SER 89 2HB SER 89 7.243 -5.326 4.029 613 HG SER 89 HG SER 89 7.646 -6.158 2.149 614 H LYS 90 H LYS 90 7.458 -4.087 0.797 615 HA LYS 90 HA LYS 90 9.766 -3.118 -0.281 616 HB2 LYS 90 1HB LYS 90 7.040 -3.263 -1.576 617 HB3 LYS 90 2HB LYS 90 8.537 -3.000 -2.461 618 HG2 LYS 90 1HG LYS 90 9.367 -5.172 -1.610 619 HG3 LYS 90 2HG LYS 90 7.793 -5.438 -0.858 620 HD2 LYS 90 1HD LYS 90 6.734 -5.264 -3.080 621 HD3 LYS 90 2HD LYS 90 8.332 -5.074 -3.806 622 HE2 LYS 90 1HE LYS 90 8.866 -7.305 -2.595 623 HE3 LYS 90 2HE LYS 90 7.114 -7.480 -2.505 624 HZ1 LYS 90 1HZ LYS 90 8.042 -6.739 -5.118 625 HZ2 LYS 90 2HZ LYS 90 6.994 -7.984 -4.658 626 HZ3 LYS 90 3HZ LYS 90 8.667 -8.223 -4.598 627 H ALA 91 H ALA 91 6.868 -1.320 0.489 628 HA ALA 91 HA ALA 91 7.611 1.054 -0.919 629 HB1 ALA 91 1HB ALA 91 5.771 1.304 1.369 630 HB2 ALA 91 2HB ALA 91 5.597 1.857 -0.298 631 HB3 ALA 91 3HB ALA 91 5.283 0.169 0.109 632 H ILE 92 H ILE 92 8.062 -0.159 2.346 633 HA ILE 92 HA ILE 92 8.993 2.290 3.460 634 HB ILE 92 HB ILE 92 9.415 -0.552 4.390 635 HG12 ILE 92 1HG1 ILE 92 7.514 1.542 5.452 636 HG13 ILE 92 2HG1 ILE 92 7.047 0.325 4.269 637 HG21 ILE 92 1HG2 ILE 92 10.650 0.183 6.094 638 HG22 ILE 92 2HG2 ILE 92 10.823 1.683 5.183 639 HG23 ILE 92 3HG2 ILE 92 9.560 1.534 6.405 640 HD11 ILE 92 1HD1 ILE 92 7.697 -1.423 5.905 641 HD12 ILE 92 2HD1 ILE 92 7.976 -0.145 7.089 642 HD13 ILE 92 3HD1 ILE 92 6.359 -0.403 6.433 643 H GLU 93 H GLU 93 10.735 -0.695 2.561 644 HA GLU 93 HA GLU 93 13.311 0.106 2.995 645 HB2 GLU 93 1HB GLU 93 13.983 -1.477 1.228 646 HB3 GLU 93 2HB GLU 93 12.758 -2.153 2.292 647 HG2 GLU 93 1HG GLU 93 11.041 -1.665 0.619 648 HG3 GLU 93 2HG GLU 93 12.279 -1.006 -0.449 649 H LYS 94 H LYS 94 11.409 0.647 0.043 650 HA LYS 94 HA LYS 94 13.182 1.803 -1.634 651 HB2 LYS 94 1HB LYS 94 10.314 2.396 -1.051 652 HB3 LYS 94 2HB LYS 94 11.187 3.467 -2.140 653 HG2 LYS 94 1HG LYS 94 11.238 0.510 -2.571 654 HG3 LYS 94 2HG LYS 94 9.860 1.474 -3.108 655 HD2 LYS 94 1HD LYS 94 11.284 2.830 -4.496 656 HD3 LYS 94 2HD LYS 94 12.727 2.038 -3.859 657 HE2 LYS 94 1HE LYS 94 10.543 0.650 -5.407 658 HE3 LYS 94 2HE LYS 94 12.057 1.223 -6.104 659 HZ1 LYS 94 1HZ LYS 94 11.670 -0.928 -4.108 660 HZ2 LYS 94 2HZ LYS 94 13.183 -0.229 -4.397 661 HZ3 LYS 94 3HZ LYS 94 12.374 -1.041 -5.642 662 H ASP 95 H ASP 95 11.280 3.745 0.681 663 HA ASP 95 HA ASP 95 13.228 5.898 0.460 664 HB2 ASP 95 1HB ASP 95 10.754 5.892 2.183 665 HB3 ASP 95 2HB ASP 95 11.637 7.279 1.551 666 H GLY 96 H GLY 96 11.528 4.495 3.267 667 HA2 GLY 96 1HA GLY 96 13.030 3.306 4.903 668 HA3 GLY 96 2HA GLY 96 14.071 4.714 4.756 669 H GLY 97 H GLY 97 12.355 6.807 4.890 670 HA2 GLY 97 1HA GLY 97 11.296 6.519 7.625 671 HA3 GLY 97 2HA GLY 97 11.848 8.025 6.906 672 H ASP 98 H ASP 98 9.534 5.493 5.928 673 HA ASP 98 HA ASP 98 7.507 7.613 5.638 674 HB2 ASP 98 1HB ASP 98 8.239 5.371 3.788 675 HB3 ASP 98 2HB ASP 98 6.583 5.972 3.815 676 H VAL 99 H VAL 99 6.446 7.260 7.547 677 HA VAL 99 HA VAL 99 5.813 4.700 8.581 678 HB VAL 99 HB VAL 99 4.367 5.846 10.150 679 HG11 VAL 99 1HG1 VAL 99 6.116 6.621 11.296 680 HG12 VAL 99 2HG1 VAL 99 7.080 6.279 9.858 681 HG13 VAL 99 3HG1 VAL 99 6.423 7.896 10.117 682 HG21 VAL 99 1HG2 VAL 99 3.567 7.995 9.925 683 HG22 VAL 99 2HG2 VAL 99 4.860 8.478 8.828 684 HG23 VAL 99 3HG2 VAL 99 3.552 7.446 8.250 685 H LYS 100 H LYS 100 4.482 6.517 6.045 686 HA LYS 100 HA LYS 100 1.778 5.972 6.118 687 HB2 LYS 100 1HB LYS 100 3.670 6.124 3.773 688 HB3 LYS 100 2HB LYS 100 1.927 5.989 3.586 689 HG2 LYS 100 1HG LYS 100 3.231 8.193 5.156 690 HG3 LYS 100 2HG LYS 100 2.888 8.310 3.428 691 HD2 LYS 100 1HD LYS 100 0.561 8.167 3.778 692 HD3 LYS 100 2HD LYS 100 0.766 7.612 5.441 693 HE2 LYS 100 1HE LYS 100 1.535 9.760 6.139 694 HE3 LYS 100 2HE LYS 100 1.639 10.328 4.473 695 HZ1 LYS 100 1HZ LYS 100 -0.341 11.142 5.659 696 HZ2 LYS 100 2HZ LYS 100 -0.887 9.550 5.827 697 HZ3 LYS 100 3HZ LYS 100 -0.736 10.235 4.287 698 H ALA 101 H ALA 101 4.395 3.922 4.881 699 HA ALA 101 HA ALA 101 2.609 1.787 4.161 700 HB1 ALA 101 1HB ALA 101 4.441 1.695 2.810 701 HB2 ALA 101 2HB ALA 101 5.543 2.232 4.079 702 HB3 ALA 101 3HB ALA 101 4.958 0.569 4.065 703 H LEU 102 H LEU 102 4.580 2.629 6.923 704 HA LEU 102 HA LEU 102 4.643 0.131 8.201 705 HB2 LEU 102 1HB LEU 102 4.956 2.959 9.061 706 HB3 LEU 102 2HB LEU 102 4.723 1.734 10.306 707 HG LEU 102 HG LEU 102 6.892 1.492 8.242 708 HD11 LEU 102 1HD1 LEU 102 8.267 2.339 10.348 709 HD12 LEU 102 2HD1 LEU 102 6.773 3.228 10.642 710 HD13 LEU 102 3HD1 LEU 102 7.644 3.446 9.124 711 HD21 LEU 102 1HD2 LEU 102 7.281 -0.420 9.294 712 HD22 LEU 102 2HD2 LEU 102 5.939 -0.107 10.394 713 HD23 LEU 102 3HD2 LEU 102 7.559 0.465 10.794 714 H TYR 103 H TYR 103 2.333 2.813 8.439 715 HA TYR 103 HA TYR 103 0.699 1.660 10.424 716 HB2 TYR 103 1HB TYR 103 0.655 4.061 9.780 717 HB3 TYR 103 2HB TYR 103 -0.112 3.614 8.261 718 HD1 TYR 103 2HD TYR 103 -0.768 2.328 11.695 719 HD2 TYR 103 1HD TYR 103 -2.243 4.552 8.381 720 HE1 TYR 103 2HE TYR 103 -2.973 2.463 12.775 721 HE2 TYR 103 1HE TYR 103 -4.452 4.694 9.452 722 HH TYR 103 HH TYR 103 -5.382 4.577 11.777 723 H ARG 104 H ARG 104 0.395 1.703 6.880 724 HA ARG 104 HA ARG 104 -1.971 0.176 6.762 725 HB2 ARG 104 1HB ARG 104 0.227 0.595 4.733 726 HB3 ARG 104 2HB ARG 104 -1.279 -0.242 4.381 727 HG2 ARG 104 1HG ARG 104 -2.375 1.948 5.275 728 HG3 ARG 104 2HG ARG 104 -0.797 2.650 4.914 729 HD2 ARG 104 1HD ARG 104 -0.994 1.726 2.607 730 HD3 ARG 104 2HD ARG 104 -2.636 1.221 3.001 731 HE ARG 104 HE ARG 104 -1.721 3.903 2.450 732 HH11 ARG 104 2HH1 ARG 104 -4.212 1.924 3.864 733 HH12 ARG 104 1HH1 ARG 104 -5.431 3.150 3.752 734 HH21 ARG 104 2HH2 ARG 104 -3.317 5.525 2.297 735 HH22 ARG 104 1HH2 ARG 104 -4.921 5.197 2.859 736 H ARG 105 H ARG 105 1.344 -0.693 7.219 737 HA ARG 105 HA ARG 105 1.224 -3.379 6.353 738 HB2 ARG 105 1HB ARG 105 3.332 -2.132 6.746 739 HB3 ARG 105 2HB ARG 105 3.008 -2.173 8.474 740 HG2 ARG 105 1HG ARG 105 3.494 -4.403 8.655 741 HG3 ARG 105 2HG ARG 105 3.090 -4.739 6.971 742 HD2 ARG 105 1HD ARG 105 5.405 -4.911 6.998 743 HD3 ARG 105 2HD ARG 105 5.135 -3.266 6.423 744 HE ARG 105 HE ARG 105 5.375 -2.997 9.122 745 HH11 ARG 105 2HH1 ARG 105 7.342 -4.407 6.620 746 HH12 ARG 105 1HH1 ARG 105 8.838 -4.082 7.431 747 HH21 ARG 105 2HH2 ARG 105 7.337 -2.564 10.201 748 HH22 ARG 105 1HH2 ARG 105 8.834 -3.034 9.469 749 H SER 106 H SER 106 1.239 -2.097 9.685 750 HA SER 106 HA SER 106 0.734 -4.380 11.082 751 HB2 SER 106 1HB SER 106 -0.170 -3.017 12.843 752 HB3 SER 106 2HB SER 106 1.087 -2.076 12.040 753 HG SER 106 HG SER 106 -0.580 -1.018 10.869 754 H GLN 107 H GLN 107 -1.684 -2.299 9.529 755 HA GLN 107 HA GLN 107 -4.023 -3.433 10.335 756 HB2 GLN 107 1HB GLN 107 -3.378 -2.619 7.496 757 HB3 GLN 107 2HB GLN 107 -4.988 -2.764 8.188 758 HG2 GLN 107 1HG GLN 107 -2.889 -0.846 9.171 759 HG3 GLN 107 2HG GLN 107 -4.153 -0.435 8.013 760 HE21 GLN 107 1HE2 GLN 107 -5.881 0.476 8.841 761 HE22 GLN 107 2HE2 GLN 107 -6.454 0.300 10.461 762 H ALA 108 H ALA 108 -1.777 -4.703 7.933 763 HA ALA 108 HA ALA 108 -3.467 -6.898 7.188 764 HB1 ALA 108 1HB ALA 108 -1.314 -7.730 6.101 765 HB2 ALA 108 2HB ALA 108 -1.974 -6.201 5.519 766 HB3 ALA 108 3HB ALA 108 -0.600 -6.205 6.625 767 H LEU 109 H LEU 109 -0.424 -6.655 9.034 768 HA LEU 109 HA LEU 109 -0.064 -9.259 9.765 769 HB2 LEU 109 1HB LEU 109 0.334 -6.803 11.465 770 HB3 LEU 109 2HB LEU 109 0.984 -8.397 11.844 771 HG LEU 109 HG LEU 109 1.680 -7.007 9.277 772 HD11 LEU 109 1HD1 LEU 109 3.538 -6.819 11.571 773 HD12 LEU 109 2HD1 LEU 109 2.147 -5.737 11.575 774 HD13 LEU 109 3HD1 LEU 109 3.279 -5.712 10.223 775 HD21 LEU 109 1HD2 LEU 109 2.287 -9.505 10.459 776 HD22 LEU 109 2HD2 LEU 109 3.764 -8.539 10.472 777 HD23 LEU 109 3HD2 LEU 109 2.909 -8.825 8.955 778 H GLU 110 H GLU 110 -2.164 -6.889 11.370 779 HA GLU 110 HA GLU 110 -3.024 -8.494 13.485 780 HB2 GLU 110 1HB GLU 110 -4.432 -6.263 12.017 781 HB3 GLU 110 2HB GLU 110 -5.054 -7.002 13.486 782 HG2 GLU 110 1HG GLU 110 -2.286 -5.903 13.469 783 HG3 GLU 110 2HG GLU 110 -3.658 -4.803 13.588 784 H LYS 111 H LYS 111 -4.337 -8.119 10.218 785 HA LYS 111 HA LYS 111 -6.522 -9.912 10.650 786 HB2 LYS 111 1HB LYS 111 -5.346 -8.499 8.299 787 HB3 LYS 111 2HB LYS 111 -6.416 -9.864 8.002 788 HG2 LYS 111 1HG LYS 111 -7.946 -8.191 7.990 789 HG3 LYS 111 2HG LYS 111 -7.954 -8.561 9.716 790 HD2 LYS 111 1HD LYS 111 -6.249 -6.763 10.032 791 HD3 LYS 111 2HD LYS 111 -6.459 -6.337 8.332 792 HE2 LYS 111 1HE LYS 111 -7.815 -4.867 9.651 793 HE3 LYS 111 2HE LYS 111 -8.879 -5.976 8.787 794 HZ1 LYS 111 1HZ LYS 111 -8.463 -7.285 11.093 795 HZ2 LYS 111 2HZ LYS 111 -9.788 -6.277 10.794 796 HZ3 LYS 111 3HZ LYS 111 -8.441 -5.680 11.626 797 H LEU 112 H LEU 112 -3.203 -10.278 9.811 798 HA LEU 112 HA LEU 112 -3.525 -12.906 8.649 799 HB2 LEU 112 1HB LEU 112 -1.121 -11.256 9.386 800 HB3 LEU 112 2HB LEU 112 -0.998 -12.897 8.754 801 HG LEU 112 HG LEU 112 -2.364 -10.670 7.257 802 HD11 LEU 112 1HD1 LEU 112 0.072 -11.214 6.030 803 HD12 LEU 112 2HD1 LEU 112 0.451 -11.063 7.745 804 HD13 LEU 112 3HD1 LEU 112 -0.375 -9.750 6.906 805 HD21 LEU 112 1HD2 LEU 112 -2.369 -13.391 6.871 806 HD22 LEU 112 2HD2 LEU 112 -1.082 -12.842 5.797 807 HD23 LEU 112 3HD2 LEU 112 -2.708 -12.173 5.642 808 H GLY 113 H GLY 113 -3.577 -11.710 11.742 809 HA2 GLY 113 1HA GLY 113 -3.927 -13.113 13.626 810 HA3 GLY 113 2HA GLY 113 -2.997 -14.372 12.827 811 H ARG 114 H ARG 114 -1.285 -11.634 12.340 812 HA ARG 114 HA ARG 114 0.490 -12.247 14.583 813 HB2 ARG 114 1HB ARG 114 0.944 -10.645 12.060 814 HB3 ARG 114 2HB ARG 114 2.152 -10.893 13.313 815 HG2 ARG 114 1HG ARG 114 2.508 -13.070 12.738 816 HG3 ARG 114 2HG ARG 114 0.871 -13.288 12.116 817 HD2 ARG 114 1HD ARG 114 1.485 -11.803 10.204 818 HD3 ARG 114 2HD ARG 114 3.145 -11.812 10.799 819 HE ARG 114 HE ARG 114 1.809 -13.909 9.369 820 HH11 ARG 114 2HH1 ARG 114 4.348 -13.177 11.636 821 HH12 ARG 114 1HH1 ARG 114 5.269 -14.596 11.262 822 HH21 ARG 114 2HH2 ARG 114 3.013 -15.780 8.868 823 HH22 ARG 114 1HH2 ARG 114 4.509 -16.076 9.686 824 H LEU 115 H LEU 115 -0.371 -11.161 16.311 825 HA LEU 115 HA LEU 115 -1.064 -8.351 16.060 826 HB2 LEU 115 1HB LEU 115 -1.054 -10.086 18.523 827 HB3 LEU 115 2HB LEU 115 -1.825 -8.511 18.340 828 HG LEU 115 HG LEU 115 -2.665 -11.146 17.159 829 HD11 LEU 115 1HD1 LEU 115 -3.431 -10.688 19.415 830 HD12 LEU 115 2HD1 LEU 115 -4.777 -10.603 18.279 831 HD13 LEU 115 3HD1 LEU 115 -4.058 -9.120 18.904 832 HD21 LEU 115 1HD2 LEU 115 -3.234 -8.379 16.240 833 HD22 LEU 115 2HD2 LEU 115 -4.562 -9.540 16.248 834 HD23 LEU 115 3HD2 LEU 115 -3.102 -9.876 15.316 835 H ASP 116 H ASP 116 1.394 -10.368 17.580 836 HA ASP 116 HA ASP 116 2.680 -8.443 19.127 837 HB2 ASP 116 1HB ASP 116 3.184 -10.844 19.266 838 HB3 ASP 116 2HB ASP 116 3.914 -10.787 17.663 839 H GLN 117 H GLN 117 3.349 -9.416 15.769 840 HA GLN 117 HA GLN 117 5.458 -7.641 15.304 841 HB2 GLN 117 1HB GLN 117 3.449 -8.898 13.441 842 HB3 GLN 117 2HB GLN 117 4.774 -7.895 12.865 843 HG2 GLN 117 1HG GLN 117 5.734 -9.938 12.661 844 HG3 GLN 117 2HG GLN 117 6.208 -9.563 14.318 845 HE21 GLN 117 1HE2 GLN 117 4.947 -10.480 16.039 846 HE22 GLN 117 2HE2 GLN 117 4.130 -11.983 15.801 847 H ALA 118 H ALA 118 1.988 -7.273 14.603 848 HA ALA 118 HA ALA 118 1.884 -4.863 13.375 849 HB1 ALA 118 1HB ALA 118 -0.129 -4.766 15.370 850 HB2 ALA 118 2HB ALA 118 -0.284 -5.222 13.673 851 HB3 ALA 118 3HB ALA 118 0.077 -6.450 14.887 852 H VAL 119 H VAL 119 2.326 -5.392 16.849 853 HA VAL 119 HA VAL 119 2.235 -2.693 17.637 854 HB VAL 119 HB VAL 119 3.645 -5.042 18.905 855 HG11 VAL 119 1HG1 VAL 119 3.032 -3.044 20.809 856 HG12 VAL 119 2HG1 VAL 119 4.621 -3.636 20.318 857 HG13 VAL 119 3HG1 VAL 119 3.894 -2.262 19.484 858 HG21 VAL 119 1HG2 VAL 119 1.255 -3.801 20.116 859 HG22 VAL 119 2HG2 VAL 119 0.995 -4.696 18.619 860 HG23 VAL 119 3HG2 VAL 119 1.724 -5.498 20.010 861 H LEU 120 H LEU 120 5.103 -4.785 17.254 862 HA LEU 120 HA LEU 120 7.054 -2.867 17.559 863 HB2 LEU 120 1HB LEU 120 7.177 -5.157 15.607 864 HB3 LEU 120 2HB LEU 120 8.540 -4.332 16.360 865 HG LEU 120 HG LEU 120 6.516 -5.863 17.972 866 HD11 LEU 120 1HD1 LEU 120 7.986 -7.071 16.045 867 HD12 LEU 120 2HD1 LEU 120 7.481 -7.844 17.547 868 HD13 LEU 120 3HD1 LEU 120 9.096 -7.149 17.414 869 HD21 LEU 120 1HD2 LEU 120 8.981 -6.018 19.168 870 HD22 LEU 120 2HD2 LEU 120 7.698 -4.886 19.596 871 HD23 LEU 120 3HD2 LEU 120 8.979 -4.391 18.489 872 H ASP 121 H ASP 121 5.373 -3.807 14.581 873 HA ASP 121 HA ASP 121 6.791 -2.105 12.844 874 HB2 ASP 121 1HB ASP 121 3.959 -3.148 12.609 875 HB3 ASP 121 2HB ASP 121 4.891 -2.427 11.300 876 H LEU 122 H LEU 122 3.790 -1.637 14.669 877 HA LEU 122 HA LEU 122 3.184 0.920 13.645 878 HB2 LEU 122 1HB LEU 122 2.388 -0.606 16.088 879 HB3 LEU 122 2HB LEU 122 1.930 1.087 15.922 880 HG LEU 122 HG LEU 122 1.231 -0.991 13.861 881 HD11 LEU 122 1HD1 LEU 122 -0.990 -1.078 14.903 882 HD12 LEU 122 2HD1 LEU 122 -0.392 -0.093 16.238 883 HD13 LEU 122 3HD1 LEU 122 0.268 -1.706 15.968 884 HD21 LEU 122 1HD2 LEU 122 0.990 1.122 12.919 885 HD22 LEU 122 2HD2 LEU 122 0.421 1.838 14.427 886 HD23 LEU 122 3HD2 LEU 122 -0.629 0.754 13.513 887 H GLN 123 H GLN 123 5.190 -0.165 16.314 888 HA GLN 123 HA GLN 123 5.565 2.094 17.791 889 HB2 GLN 123 1HB GLN 123 7.631 0.071 16.919 890 HB3 GLN 123 2HB GLN 123 7.920 1.289 18.155 891 HG2 GLN 123 1HG GLN 123 5.728 0.243 19.191 892 HG3 GLN 123 2HG GLN 123 6.244 -1.156 18.250 893 HE21 GLN 123 1HE2 GLN 123 6.205 -0.255 21.221 894 HE22 GLN 123 2HE2 GLN 123 7.754 -0.763 21.791 895 H ARG 124 H ARG 124 7.519 1.226 14.933 896 HA ARG 124 HA ARG 124 8.999 3.579 14.793 897 HB2 ARG 124 1HB ARG 124 8.108 1.738 12.567 898 HB3 ARG 124 2HB ARG 124 9.323 2.996 12.388 899 HG2 ARG 124 1HG ARG 124 10.884 1.860 13.636 900 HG3 ARG 124 2HG ARG 124 9.664 0.928 14.506 901 HD2 ARG 124 1HD ARG 124 9.338 -0.538 12.725 902 HD3 ARG 124 2HD ARG 124 10.051 0.574 11.558 903 HE ARG 124 HE ARG 124 11.414 -1.408 13.031 904 HH11 ARG 124 2HH1 ARG 124 11.761 1.873 11.920 905 HH12 ARG 124 1HH1 ARG 124 13.491 1.807 11.860 906 HH21 ARG 124 2HH2 ARG 124 13.691 -1.507 12.955 907 HH22 ARG 124 1HH2 ARG 124 14.588 -0.117 12.447 908 H CYS 125 H CYS 125 5.800 2.821 13.540 909 HA CYS 125 HA CYS 125 5.331 4.874 11.797 910 HB2 CYS 125 1HB CYS 125 3.776 2.958 12.771 911 HB3 CYS 125 2HB CYS 125 3.194 4.268 13.790 912 HG CYS 125 HG CYS 125 2.338 5.868 11.692 913 H VAL 126 H VAL 126 5.443 5.018 15.301 914 HA VAL 126 HA VAL 126 4.622 7.811 15.323 915 HB VAL 126 HB VAL 126 5.396 5.952 17.575 916 HG11 VAL 126 1HG1 VAL 126 5.929 8.366 17.989 917 HG12 VAL 126 2HG1 VAL 126 4.208 8.710 17.808 918 HG13 VAL 126 3HG1 VAL 126 4.766 7.661 19.111 919 HG21 VAL 126 1HG2 VAL 126 2.683 7.123 17.230 920 HG22 VAL 126 2HG2 VAL 126 3.155 5.776 16.194 921 HG23 VAL 126 3HG2 VAL 126 3.167 5.586 17.947 922 H SER 127 H SER 127 7.483 5.853 16.060 923 HA SER 127 HA SER 127 9.176 7.794 17.043 924 HB2 SER 127 1HB SER 127 9.523 5.218 16.615 925 HB3 SER 127 2HB SER 127 10.261 5.776 15.114 926 HG SER 127 HG SER 127 11.822 5.611 16.741 927 H LEU 128 H LEU 128 8.128 7.254 13.764 928 HA LEU 128 HA LEU 128 10.059 9.154 12.695 929 HB2 LEU 128 1HB LEU 128 8.179 7.166 11.577 930 HB3 LEU 128 2HB LEU 128 8.486 8.597 10.594 931 HG LEU 128 HG LEU 128 10.766 6.970 11.657 932 HD11 LEU 128 1HD1 LEU 128 10.630 5.380 10.028 933 HD12 LEU 128 2HD1 LEU 128 9.693 6.408 8.944 934 HD13 LEU 128 3HD1 LEU 128 8.912 5.645 10.329 935 HD21 LEU 128 1HD2 LEU 128 10.417 9.238 9.939 936 HD22 LEU 128 2HD2 LEU 128 11.177 7.921 9.045 937 HD23 LEU 128 3HD2 LEU 128 11.908 8.510 10.539 938 H GLU 129 H GLU 129 6.694 8.957 13.570 939 HA GLU 129 HA GLU 129 6.363 11.767 12.744 940 HB2 GLU 129 1HB GLU 129 4.418 9.475 12.603 941 HB3 GLU 129 2HB GLU 129 3.869 11.145 12.617 942 HG2 GLU 129 1HG GLU 129 5.510 9.736 10.545 943 HG3 GLU 129 2HG GLU 129 3.951 10.537 10.361 944 HA PRO 130 HA PRO 130 5.910 11.674 17.304 945 HB2 PRO 130 1HB PRO 130 6.911 14.172 17.658 946 HB3 PRO 130 2HB PRO 130 7.935 12.739 17.508 947 HG2 PRO 130 1HG PRO 130 7.217 14.781 15.439 948 HG3 PRO 130 2HG PRO 130 8.790 14.033 15.774 949 HD2 PRO 130 1HD PRO 130 7.198 13.228 13.737 950 HD3 PRO 130 2HD PRO 130 8.264 12.112 14.614 951 H LYS 131 H LYS 131 4.434 13.266 14.777 952 HA LYS 131 HA LYS 131 2.707 14.839 16.568 953 HB2 LYS 131 1HB LYS 131 3.180 15.093 13.592 954 HB3 LYS 131 2HB LYS 131 2.014 16.046 14.500 955 HG2 LYS 131 1HG LYS 131 3.752 17.096 15.761 956 HG3 LYS 131 2HG LYS 131 4.969 16.020 15.070 957 HD2 LYS 131 1HD LYS 131 4.905 17.067 13.002 958 HD3 LYS 131 2HD LYS 131 3.296 17.737 13.279 959 HE2 LYS 131 1HE LYS 131 4.860 19.533 13.407 960 HE3 LYS 131 2HE LYS 131 4.299 19.197 15.044 961 HZ1 LYS 131 1HZ LYS 131 6.932 19.160 14.043 962 HZ2 LYS 131 2HZ LYS 131 6.541 17.615 14.611 963 HZ3 LYS 131 3HZ LYS 131 6.404 18.953 15.637 964 H ASN 132 H ASN 132 2.711 12.496 13.928 965 HA ASN 132 HA ASN 132 -0.049 12.271 13.557 966 HB2 ASN 132 1HB ASN 132 2.074 10.135 13.253 967 HB3 ASN 132 2HB ASN 132 0.445 10.055 12.587 968 HD21 ASN 132 1HD2 ASN 132 0.977 10.013 10.466 969 HD22 ASN 132 2HD2 ASN 132 1.752 11.317 9.640 970 H LYS 133 H LYS 133 -1.301 12.133 15.352 971 HA LYS 133 HA LYS 133 -0.666 10.374 17.534 972 HB2 LYS 133 1HB LYS 133 -2.571 11.243 18.606 973 HB3 LYS 133 2HB LYS 133 -1.932 12.591 17.675 974 HG2 LYS 133 1HG LYS 133 -3.706 12.645 16.267 975 HG3 LYS 133 2HG LYS 133 -3.975 10.902 16.360 976 HD2 LYS 133 1HD LYS 133 -4.670 11.413 18.816 977 HD3 LYS 133 2HD LYS 133 -4.872 13.064 18.226 978 HE2 LYS 133 1HE LYS 133 -6.450 12.314 16.558 979 HE3 LYS 133 2HE LYS 133 -6.178 10.632 17.010 980 HZ1 LYS 133 1HZ LYS 133 -7.510 10.808 18.789 981 HZ2 LYS 133 2HZ LYS 133 -8.162 12.137 17.972 982 HZ3 LYS 133 3HZ LYS 133 -6.996 12.373 19.175 983 H VAL 134 H VAL 134 -2.601 10.223 14.648 984 HA VAL 134 HA VAL 134 -4.446 8.277 15.165 985 HB VAL 134 HB VAL 134 -2.750 8.543 12.680 986 HG11 VAL 134 1HG1 VAL 134 -3.789 6.331 12.824 987 HG12 VAL 134 2HG1 VAL 134 -5.365 7.088 13.060 988 HG13 VAL 134 3HG1 VAL 134 -4.504 7.299 11.536 989 HG21 VAL 134 1HG2 VAL 134 -5.577 9.429 12.824 990 HG22 VAL 134 2HG2 VAL 134 -4.367 10.422 13.637 991 HG23 VAL 134 3HG2 VAL 134 -4.226 10.098 11.909 992 H PHE 135 H PHE 135 -0.990 7.915 14.899 993 HA PHE 135 HA PHE 135 -1.046 5.047 14.713 994 HB2 PHE 135 1HB PHE 135 1.302 6.772 15.506 995 HB3 PHE 135 2HB PHE 135 1.342 5.153 14.815 996 HD1 PHE 135 1HD PHE 135 -0.693 5.536 12.646 997 HD2 PHE 135 2HD PHE 135 2.553 7.971 13.933 998 HE1 PHE 135 1HE PHE 135 -0.528 6.503 10.390 999 HE2 PHE 135 2HE PHE 135 2.722 8.942 11.679 1000 HZ PHE 135 HZ PHE 135 1.180 8.210 9.904 1001 H GLN 136 H GLN 136 -0.353 7.414 17.263 1002 HA GLN 136 HA GLN 136 0.339 5.627 19.290 1003 HB2 GLN 136 1HB GLN 136 -1.116 8.256 19.613 1004 HB3 GLN 136 2HB GLN 136 -0.179 7.422 20.846 1005 HG2 GLN 136 1HG GLN 136 1.854 7.774 19.600 1006 HG3 GLN 136 2HG GLN 136 0.949 8.498 18.272 1007 HE21 GLN 136 1HE2 GLN 136 2.144 10.405 18.436 1008 HE22 GLN 136 2HE2 GLN 136 1.882 11.538 19.713 1009 H GLU 137 H GLU 137 -2.832 6.870 18.322 1010 HA GLU 137 HA GLU 137 -4.282 5.604 20.404 1011 HB2 GLU 137 1HB GLU 137 -6.201 6.391 19.363 1012 HB3 GLU 137 2HB GLU 137 -4.986 7.540 18.820 1013 HG2 GLU 137 1HG GLU 137 -4.845 6.509 16.686 1014 HG3 GLU 137 2HG GLU 137 -5.821 5.141 17.216 1015 H ALA 138 H ALA 138 -3.290 4.615 17.189 1016 HA ALA 138 HA ALA 138 -4.911 2.260 17.110 1017 HB1 ALA 138 1HB ALA 138 -4.277 2.193 14.980 1018 HB2 ALA 138 2HB ALA 138 -3.384 3.684 15.277 1019 HB3 ALA 138 3HB ALA 138 -2.570 2.126 15.421 1020 H LEU 139 H LEU 139 -1.601 2.991 18.068 1021 HA LEU 139 HA LEU 139 -0.839 0.255 18.424 1022 HB2 LEU 139 1HB LEU 139 0.727 2.157 17.964 1023 HB3 LEU 139 2HB LEU 139 0.446 2.705 19.615 1024 HG LEU 139 HG LEU 139 1.508 0.759 20.514 1025 HD11 LEU 139 1HD1 LEU 139 1.157 -1.133 19.367 1026 HD12 LEU 139 2HD1 LEU 139 2.628 -0.687 18.503 1027 HD13 LEU 139 3HD1 LEU 139 1.050 -0.294 17.819 1028 HD21 LEU 139 1HD2 LEU 139 3.577 1.522 20.149 1029 HD22 LEU 139 2HD2 LEU 139 2.811 2.697 19.080 1030 HD23 LEU 139 3HD2 LEU 139 3.486 1.209 18.416 1031 H ARG 140 H ARG 140 -1.912 2.860 20.567 1032 HA ARG 140 HA ARG 140 -1.564 1.495 22.998 1033 HB2 ARG 140 1HB ARG 140 -3.322 3.778 22.141 1034 HB3 ARG 140 2HB ARG 140 -3.427 3.119 23.769 1035 HG2 ARG 140 1HG ARG 140 -0.777 3.943 22.673 1036 HG3 ARG 140 2HG ARG 140 -1.899 5.159 23.287 1037 HD2 ARG 140 1HD ARG 140 -1.986 4.016 25.434 1038 HD3 ARG 140 2HD ARG 140 -0.914 2.757 24.822 1039 HE ARG 140 HE ARG 140 0.872 4.170 25.117 1040 HH11 ARG 140 2HH1 ARG 140 -2.097 5.964 25.410 1041 HH12 ARG 140 1HH1 ARG 140 -1.324 7.400 25.995 1042 HH21 ARG 140 2HH2 ARG 140 1.902 6.055 25.886 1043 HH22 ARG 140 1HH2 ARG 140 0.950 7.451 26.264 1044 H ASN 141 H ASN 141 -3.728 0.934 20.471 1045 HA ASN 141 HA ASN 141 -5.878 -0.128 22.075 1046 HB2 ASN 141 1HB ASN 141 -5.315 0.067 19.137 1047 HB3 ASN 141 2HB ASN 141 -6.573 -1.023 19.712 1048 HD21 ASN 141 1HD2 ASN 141 -7.018 1.189 18.048 1049 HD22 ASN 141 2HD2 ASN 141 -7.993 2.326 18.909 1050 H ILE 142 H ILE 142 -3.521 -1.530 19.796 1051 HA ILE 142 HA ILE 142 -4.140 -4.210 20.667 1052 HB ILE 142 HB ILE 142 -2.637 -4.980 19.018 1053 HG12 ILE 142 1HG1 ILE 142 -1.512 -2.172 18.980 1054 HG13 ILE 142 2HG1 ILE 142 -0.700 -3.626 19.550 1055 HG21 ILE 142 1HG2 ILE 142 -3.385 -2.621 17.463 1056 HG22 ILE 142 2HG2 ILE 142 -3.827 -4.314 17.243 1057 HG23 ILE 142 3HG2 ILE 142 -4.711 -3.315 18.396 1058 HD11 ILE 142 1HD1 ILE 142 0.189 -3.135 17.425 1059 HD12 ILE 142 2HD1 ILE 142 -0.894 -4.509 17.203 1060 HD13 ILE 142 3HD1 ILE 142 -1.413 -2.891 16.730 1061 H SER 143 H SER 143 -1.379 -1.994 20.923 1062 HA SER 143 HA SER 143 0.385 -3.671 22.266 1063 HB2 SER 143 1HB SER 143 0.959 -1.428 21.337 1064 HB3 SER 143 2HB SER 143 0.090 -0.687 22.681 1065 HG SER 143 HG SER 143 1.691 -1.154 23.983 1066 H GLY 144 H GLY 144 -2.305 -1.764 23.482 1067 HA2 GLY 144 1HA GLY 144 -1.660 -2.335 26.250 1068 HA3 GLY 144 2HA GLY 144 -3.060 -1.449 25.663 1069 HA PRO 145 HA PRO 145 -4.131 -5.875 26.987 1070 HB2 PRO 145 1HB PRO 145 -5.530 -5.250 29.229 1071 HB3 PRO 145 2HB PRO 145 -3.793 -5.574 29.240 1072 HG2 PRO 145 1HG PRO 145 -5.230 -2.948 29.239 1073 HG3 PRO 145 2HG PRO 145 -3.815 -3.449 30.183 1074 HD2 PRO 145 1HD PRO 145 -3.614 -1.926 27.954 1075 HD3 PRO 145 2HD PRO 145 -2.361 -3.090 28.431 1076 H SER 146 H SER 146 -5.684 -6.352 25.550 1077 HA SER 146 HA SER 146 -7.779 -4.722 24.734 1078 HB2 SER 146 1HB SER 146 -8.701 -6.651 23.655 1079 HB3 SER 146 2HB SER 146 -6.947 -6.821 23.594 1080 HG SER 146 HG SER 146 -7.663 -8.758 24.296 1081 H SER 147 H SER 147 -10.111 -5.046 25.055 1082 HA SER 147 HA SER 147 -10.712 -5.185 27.878 1083 HB2 SER 147 1HB SER 147 -11.700 -3.426 26.437 1084 HB3 SER 147 2HB SER 147 -12.562 -4.672 25.535 1085 HG SER 147 HG SER 147 -14.045 -4.422 26.996 1086 H GLY 148 H GLY 148 -11.625 -6.948 24.937 1087 HA2 GLY 148 1HA GLY 148 -13.095 -8.904 26.536 1088 HA3 GLY 148 2HA GLY 148 -13.055 -8.817 24.782 Start of MODEL 14 1 H1 GLY 1 H GLY 1 7.007 -35.981 -48.131 2 HA2 GLY 1 1HA GLY 1 6.912 -34.319 -46.071 3 HA3 GLY 1 2HA GLY 1 5.965 -33.405 -47.236 4 H SER 2 H SER 2 3.963 -34.267 -47.970 5 HA SER 2 HA SER 2 1.897 -35.130 -47.532 6 HB2 SER 2 1HB SER 2 3.052 -37.100 -48.512 7 HB3 SER 2 2HB SER 2 3.502 -37.615 -46.886 8 HG SER 2 HG SER 2 0.934 -37.477 -48.052 9 H SER 3 H SER 3 2.916 -33.688 -45.390 10 HA SER 3 HA SER 3 1.447 -34.907 -43.206 11 HB2 SER 3 1HB SER 3 3.981 -35.560 -43.119 12 HB3 SER 3 2HB SER 3 4.199 -33.906 -42.549 13 HG SER 3 HG SER 3 3.857 -35.524 -40.876 14 H GLY 4 H GLY 4 1.582 -33.312 -41.223 15 HA2 GLY 4 1HA GLY 4 1.327 -30.574 -42.308 16 HA3 GLY 4 2HA GLY 4 0.230 -31.233 -41.104 17 H SER 5 H SER 5 1.567 -28.838 -40.707 18 HA SER 5 HA SER 5 3.449 -29.572 -38.561 19 HB2 SER 5 1HB SER 5 4.624 -27.427 -38.987 20 HB3 SER 5 2HB SER 5 4.688 -28.513 -40.374 21 HG SER 5 HG SER 5 2.942 -27.309 -41.271 22 H SER 6 H SER 6 3.725 -27.513 -37.066 23 HA SER 6 HA SER 6 1.163 -26.180 -36.631 24 HB2 SER 6 1HB SER 6 1.346 -28.388 -35.292 25 HB3 SER 6 2HB SER 6 2.522 -27.521 -34.304 26 HG SER 6 HG SER 6 -0.221 -26.972 -34.680 27 H GLY 7 H GLY 7 1.520 -24.091 -36.306 28 HA2 GLY 7 1HA GLY 7 4.148 -23.056 -35.918 29 HA3 GLY 7 2HA GLY 7 2.658 -22.125 -35.935 30 H MET 8 H MET 8 4.534 -21.323 -34.212 31 HA MET 8 HA MET 8 3.225 -21.543 -31.700 32 HB2 MET 8 1HB MET 8 4.729 -23.682 -31.997 33 HB3 MET 8 2HB MET 8 6.028 -22.577 -31.568 34 HG2 MET 8 1HG MET 8 5.100 -22.147 -29.447 35 HG3 MET 8 2HG MET 8 3.565 -22.894 -29.886 36 HE1 MET 8 1HE MET 8 4.563 -25.431 -27.254 37 HE2 MET 8 2HE MET 8 5.275 -23.827 -27.079 38 HE3 MET 8 3HE MET 8 3.621 -23.999 -27.669 39 H THR 9 H THR 9 4.016 -20.051 -30.157 40 HA THR 9 HA THR 9 6.133 -18.246 -31.113 41 HB THR 9 HB THR 9 3.982 -17.191 -31.621 42 HG1 THR 9 1HG THR 9 4.993 -15.835 -29.354 43 HG21 THR 9 1HG2 THR 9 3.456 -17.385 -28.652 44 HG22 THR 9 2HG2 THR 9 2.624 -18.305 -29.906 45 HG23 THR 9 3HG2 THR 9 2.445 -16.552 -29.832 46 H VAL 10 H VAL 10 7.101 -16.925 -29.423 47 HA VAL 10 HA VAL 10 6.836 -18.123 -26.743 48 HB VAL 10 HB VAL 10 9.258 -17.713 -26.410 49 HG11 VAL 10 1HG1 VAL 10 8.279 -19.584 -28.527 50 HG12 VAL 10 2HG1 VAL 10 9.995 -19.520 -28.122 51 HG13 VAL 10 3HG1 VAL 10 8.810 -19.934 -26.883 52 HG21 VAL 10 1HG2 VAL 10 10.168 -17.619 -29.073 53 HG22 VAL 10 2HG2 VAL 10 8.967 -16.339 -28.904 54 HG23 VAL 10 3HG2 VAL 10 10.356 -16.393 -27.819 55 H SER 11 H SER 11 6.629 -16.748 -25.072 56 HA SER 11 HA SER 11 6.957 -13.872 -25.629 57 HB2 SER 11 1HB SER 11 4.605 -14.367 -25.378 58 HB3 SER 11 2HB SER 11 4.907 -15.261 -23.888 59 HG SER 11 HG SER 11 4.632 -12.572 -24.288 60 H GLY 12 H GLY 12 8.113 -12.665 -24.216 61 HA2 GLY 12 1HA GLY 12 9.729 -14.058 -22.285 62 HA3 GLY 12 2HA GLY 12 9.800 -12.343 -22.664 63 HA PRO 13 HA PRO 13 7.236 -13.428 -18.712 64 HB2 PRO 13 1HB PRO 13 9.166 -13.703 -16.822 65 HB3 PRO 13 2HB PRO 13 8.505 -15.071 -17.727 66 HG2 PRO 13 1HG PRO 13 11.048 -13.555 -18.173 67 HG3 PRO 13 2HG PRO 13 10.763 -15.305 -18.230 68 HD2 PRO 13 1HD PRO 13 10.924 -13.782 -20.463 69 HD3 PRO 13 2HD PRO 13 9.889 -15.220 -20.361 70 H GLY 14 H GLY 14 10.222 -11.593 -19.148 71 HA2 GLY 14 1HA GLY 14 9.272 -9.082 -18.813 72 HA3 GLY 14 2HA GLY 14 9.501 -9.625 -17.158 73 H THR 15 H THR 15 10.861 -7.633 -19.103 74 HA THR 15 HA THR 15 13.517 -8.069 -18.061 75 HB THR 15 HB THR 15 13.759 -9.421 -20.021 76 HG1 THR 15 1HG THR 15 14.846 -6.814 -20.404 77 HG21 THR 15 1HG2 THR 15 13.410 -7.817 -22.235 78 HG22 THR 15 2HG2 THR 15 12.038 -7.390 -21.212 79 HG23 THR 15 3HG2 THR 15 12.299 -9.069 -21.684 80 HA PRO 16 HA PRO 16 13.412 -3.667 -18.071 81 HB2 PRO 16 1HB PRO 16 16.068 -3.175 -17.801 82 HB3 PRO 16 2HB PRO 16 15.063 -3.775 -16.476 83 HG2 PRO 16 1HG PRO 16 16.901 -5.285 -18.293 84 HG3 PRO 16 2HG PRO 16 16.685 -5.439 -16.540 85 HD2 PRO 16 1HD PRO 16 15.553 -7.154 -18.304 86 HD3 PRO 16 2HD PRO 16 14.787 -6.727 -16.761 87 H GLU 17 H GLU 17 13.383 -2.128 -19.602 88 HA GLU 17 HA GLU 17 15.351 -2.028 -21.703 89 HB2 GLU 17 1HB GLU 17 12.562 -2.981 -22.206 90 HB3 GLU 17 2HB GLU 17 13.360 -1.999 -23.427 91 HG2 GLU 17 1HG GLU 17 13.951 -4.062 -24.158 92 HG3 GLU 17 2HG GLU 17 15.300 -3.745 -23.069 93 HA PRO 18 HA PRO 18 14.399 2.254 -21.573 94 HB2 PRO 18 1HB PRO 18 14.975 3.012 -24.116 95 HB3 PRO 18 2HB PRO 18 16.219 2.582 -22.936 96 HG2 PRO 18 1HG PRO 18 15.038 0.927 -25.133 97 HG3 PRO 18 2HG PRO 18 16.733 1.079 -24.635 98 HD2 PRO 18 1HD PRO 18 15.185 -1.021 -23.910 99 HD3 PRO 18 2HD PRO 18 16.478 -0.385 -22.873 100 H ARG 19 H ARG 19 12.817 3.766 -22.072 101 HA ARG 19 HA ARG 19 10.479 2.688 -23.452 102 HB2 ARG 19 1HB ARG 19 9.984 3.539 -21.282 103 HB3 ARG 19 2HB ARG 19 10.869 5.027 -21.589 104 HG2 ARG 19 1HG ARG 19 9.178 5.595 -23.326 105 HG3 ARG 19 2HG ARG 19 8.258 4.177 -22.818 106 HD2 ARG 19 1HD ARG 19 7.246 5.775 -21.538 107 HD3 ARG 19 2HD ARG 19 8.533 5.282 -20.439 108 HE ARG 19 HE ARG 19 9.561 7.351 -21.949 109 HH11 ARG 19 2HH1 ARG 19 6.914 6.881 -19.736 110 HH12 ARG 19 1HH1 ARG 19 6.923 8.520 -19.174 111 HH21 ARG 19 2HH2 ARG 19 9.582 9.511 -21.217 112 HH22 ARG 19 1HH2 ARG 19 8.440 10.015 -20.018 113 HA PRO 20 HA PRO 20 11.402 5.127 -27.039 114 HB2 PRO 20 1HB PRO 20 9.063 4.672 -28.339 115 HB3 PRO 20 2HB PRO 20 10.354 3.470 -28.235 116 HG2 PRO 20 1HG PRO 20 7.848 3.703 -26.614 117 HG3 PRO 20 2HG PRO 20 8.595 2.257 -27.317 118 HD2 PRO 20 1HD PRO 20 8.866 2.912 -24.703 119 HD3 PRO 20 2HD PRO 20 10.137 2.072 -25.614 120 H ALA 21 H ALA 21 9.670 6.562 -28.492 121 HA ALA 21 HA ALA 21 9.309 8.917 -27.016 122 HB1 ALA 21 1HB ALA 21 7.856 8.255 -29.566 123 HB2 ALA 21 2HB ALA 21 8.338 9.843 -28.966 124 HB3 ALA 21 3HB ALA 21 9.562 8.700 -29.518 125 H THR 22 H THR 22 7.541 9.883 -26.090 126 HA THR 22 HA THR 22 5.674 8.395 -24.753 127 HB THR 22 HB THR 22 5.267 11.221 -25.752 128 HG1 THR 22 1HG THR 22 6.577 10.137 -23.478 129 HG21 THR 22 1HG2 THR 22 4.025 9.786 -23.402 130 HG22 THR 22 2HG2 THR 22 3.207 10.152 -24.921 131 HG23 THR 22 3HG2 THR 22 3.744 11.462 -23.871 132 HA PRO 23 HA PRO 23 3.209 7.067 -28.293 133 HB2 PRO 23 1HB PRO 23 1.870 5.148 -26.915 134 HB3 PRO 23 2HB PRO 23 3.504 4.913 -27.550 135 HG2 PRO 23 1HG PRO 23 2.633 5.612 -24.772 136 HG3 PRO 23 2HG PRO 23 3.874 4.460 -25.299 137 HD2 PRO 23 1HD PRO 23 4.478 6.941 -24.397 138 HD3 PRO 23 2HD PRO 23 5.445 6.113 -25.635 139 H GLY 24 H GLY 24 1.999 7.692 -25.012 140 HA2 GLY 24 1HA GLY 24 -0.133 9.323 -26.079 141 HA3 GLY 24 2HA GLY 24 -0.684 7.832 -25.331 142 H ALA 25 H ALA 25 -1.631 8.504 -23.497 143 HA ALA 25 HA ALA 25 -0.150 10.365 -21.768 144 HB1 ALA 25 1HB ALA 25 -3.066 9.601 -21.658 145 HB2 ALA 25 2HB ALA 25 -2.264 10.822 -20.668 146 HB3 ALA 25 3HB ALA 25 -2.418 11.060 -22.409 147 H SER 26 H SER 26 0.839 7.819 -21.785 148 HA SER 26 HA SER 26 -0.123 6.700 -19.233 149 HB2 SER 26 1HB SER 26 0.736 4.517 -20.002 150 HB3 SER 26 2HB SER 26 -0.493 5.152 -21.095 151 HG SER 26 HG SER 26 0.964 5.377 -22.621 152 H SER 27 H SER 27 1.209 7.495 -17.719 153 HA SER 27 HA SER 27 4.025 6.808 -17.881 154 HB2 SER 27 1HB SER 27 3.168 9.668 -17.378 155 HB3 SER 27 2HB SER 27 4.821 9.055 -17.389 156 HG SER 27 HG SER 27 4.705 8.757 -19.559 157 H VAL 28 H VAL 28 4.563 5.918 -16.011 158 HA VAL 28 HA VAL 28 3.041 5.521 -13.823 159 HB VAL 28 HB VAL 28 5.101 4.382 -13.900 160 HG11 VAL 28 1HG1 VAL 28 6.160 7.006 -14.548 161 HG12 VAL 28 2HG1 VAL 28 7.157 6.150 -13.370 162 HG13 VAL 28 3HG1 VAL 28 6.795 5.406 -14.928 163 HG21 VAL 28 1HG2 VAL 28 5.805 6.228 -11.684 164 HG22 VAL 28 2HG2 VAL 28 4.236 5.426 -11.619 165 HG23 VAL 28 3HG2 VAL 28 5.713 4.467 -11.704 166 H GLU 29 H GLU 29 4.622 8.484 -14.682 167 HA GLU 29 HA GLU 29 4.334 9.684 -12.075 168 HB2 GLU 29 1HB GLU 29 6.111 10.221 -13.880 169 HB3 GLU 29 2HB GLU 29 4.850 11.200 -14.617 170 HG2 GLU 29 1HG GLU 29 4.768 12.671 -12.806 171 HG3 GLU 29 2HG GLU 29 5.625 11.554 -11.746 172 H GLN 30 H GLN 30 2.751 9.983 -15.235 173 HA GLN 30 HA GLN 30 0.787 11.833 -14.187 174 HB2 GLN 30 1HB GLN 30 1.378 12.302 -16.408 175 HB3 GLN 30 2HB GLN 30 1.298 10.610 -16.883 176 HG2 GLN 30 1HG GLN 30 -0.570 11.687 -17.843 177 HG3 GLN 30 2HG GLN 30 -1.173 10.716 -16.502 178 HE21 GLN 30 1HE2 GLN 30 -1.425 11.894 -14.418 179 HE22 GLN 30 2HE2 GLN 30 -2.022 13.514 -14.485 180 H LEU 31 H LEU 31 0.484 8.728 -15.922 181 HA LEU 31 HA LEU 31 -2.114 8.137 -15.472 182 HB2 LEU 31 1HB LEU 31 -1.632 5.962 -15.979 183 HB3 LEU 31 2HB LEU 31 -0.179 6.765 -16.569 184 HG LEU 31 HG LEU 31 0.713 6.163 -14.156 185 HD11 LEU 31 1HD1 LEU 31 -0.627 3.630 -14.330 186 HD12 LEU 31 2HD1 LEU 31 -1.799 4.931 -14.123 187 HD13 LEU 31 3HD1 LEU 31 -0.487 4.733 -12.961 188 HD21 LEU 31 1HD2 LEU 31 0.505 3.974 -16.203 189 HD22 LEU 31 2HD2 LEU 31 1.837 4.331 -15.102 190 HD23 LEU 31 3HD2 LEU 31 1.498 5.409 -16.457 191 H ARG 32 H ARG 32 0.435 8.139 -13.105 192 HA ARG 32 HA ARG 32 -0.413 6.582 -11.072 193 HB2 ARG 32 1HB ARG 32 1.473 8.430 -11.217 194 HB3 ARG 32 2HB ARG 32 0.280 9.398 -10.362 195 HG2 ARG 32 1HG ARG 32 0.300 7.982 -8.498 196 HG3 ARG 32 2HG ARG 32 1.098 6.684 -9.388 197 HD2 ARG 32 1HD ARG 32 2.884 7.499 -8.226 198 HD3 ARG 32 2HD ARG 32 2.982 8.514 -9.664 199 HE ARG 32 HE ARG 32 2.289 9.344 -6.989 200 HH11 ARG 32 2HH1 ARG 32 2.162 10.108 -10.383 201 HH12 ARG 32 1HH1 ARG 32 1.972 11.811 -10.126 202 HH21 ARG 32 2HH2 ARG 32 2.039 11.584 -6.638 203 HH22 ARG 32 1HH2 ARG 32 1.903 12.649 -7.995 204 H LYS 33 H LYS 33 -1.574 9.916 -11.581 205 HA LYS 33 HA LYS 33 -3.408 10.110 -9.562 206 HB2 LYS 33 1HB LYS 33 -3.822 11.113 -12.384 207 HB3 LYS 33 2HB LYS 33 -4.604 11.730 -10.935 208 HG2 LYS 33 1HG LYS 33 -2.065 12.067 -10.202 209 HG3 LYS 33 2HG LYS 33 -1.865 12.173 -11.953 210 HD2 LYS 33 1HD LYS 33 -3.003 14.130 -12.098 211 HD3 LYS 33 2HD LYS 33 -4.106 13.710 -10.785 212 HE2 LYS 33 1HE LYS 33 -2.901 15.340 -9.745 213 HE3 LYS 33 2HE LYS 33 -1.894 13.948 -9.349 214 HZ1 LYS 33 1HZ LYS 33 -1.366 15.486 -11.802 215 HZ2 LYS 33 2HZ LYS 33 -0.301 14.556 -10.874 216 HZ3 LYS 33 3HZ LYS 33 -0.812 16.068 -10.313 217 H GLU 34 H GLU 34 -3.899 8.626 -12.747 218 HA GLU 34 HA GLU 34 -6.548 8.078 -12.777 219 HB2 GLU 34 1HB GLU 34 -4.812 7.368 -14.472 220 HB3 GLU 34 2HB GLU 34 -4.479 5.983 -13.441 221 HG2 GLU 34 1HG GLU 34 -5.953 5.084 -14.942 222 HG3 GLU 34 2HG GLU 34 -7.040 5.566 -13.640 223 H GLY 35 H GLY 35 -4.098 6.328 -10.914 224 HA2 GLY 35 1HA GLY 35 -5.820 4.318 -9.918 225 HA3 GLY 35 2HA GLY 35 -4.285 4.798 -9.211 226 H ASN 36 H ASN 36 -4.426 7.040 -8.083 227 HA ASN 36 HA ASN 36 -5.974 6.822 -5.827 228 HB2 ASN 36 1HB ASN 36 -4.779 9.242 -7.168 229 HB3 ASN 36 2HB ASN 36 -5.631 9.358 -5.630 230 HD21 ASN 36 1HD2 ASN 36 -2.775 8.315 -7.250 231 HD22 ASN 36 2HD2 ASN 36 -1.873 7.886 -5.841 232 H GLU 37 H GLU 37 -6.705 8.714 -8.747 233 HA GLU 37 HA GLU 37 -9.056 9.914 -7.984 234 HB2 GLU 37 1HB GLU 37 -8.261 8.775 -10.664 235 HB3 GLU 37 2HB GLU 37 -9.709 9.743 -10.423 236 HG2 GLU 37 1HG GLU 37 -8.157 11.522 -9.468 237 HG3 GLU 37 2HG GLU 37 -6.843 10.576 -10.164 238 H LEU 38 H LEU 38 -8.554 6.600 -9.075 239 HA LEU 38 HA LEU 38 -11.357 5.963 -9.072 240 HB2 LEU 38 1HB LEU 38 -8.862 4.303 -9.313 241 HB3 LEU 38 2HB LEU 38 -10.477 3.597 -9.296 242 HG LEU 38 HG LEU 38 -9.764 5.694 -11.312 243 HD11 LEU 38 1HD1 LEU 38 -8.135 3.620 -11.158 244 HD12 LEU 38 2HD1 LEU 38 -8.687 4.251 -12.709 245 HD13 LEU 38 3HD1 LEU 38 -9.456 2.824 -12.014 246 HD21 LEU 38 1HD2 LEU 38 -11.547 3.311 -11.656 247 HD22 LEU 38 2HD2 LEU 38 -11.569 4.853 -12.511 248 HD23 LEU 38 3HD2 LEU 38 -12.123 4.764 -10.839 249 H PHE 39 H PHE 39 -8.867 6.093 -6.734 250 HA PHE 39 HA PHE 39 -10.014 4.167 -4.930 251 HB2 PHE 39 1HB PHE 39 -7.544 4.860 -5.082 252 HB3 PHE 39 2HB PHE 39 -8.019 6.297 -4.183 253 HD1 PHE 39 1HD PHE 39 -7.758 2.627 -4.050 254 HD2 PHE 39 2HD PHE 39 -8.460 6.205 -1.854 255 HE1 PHE 39 1HE PHE 39 -7.537 1.374 -1.944 256 HE2 PHE 39 2HE PHE 39 -8.239 4.958 0.255 257 HZ PHE 39 HZ PHE 39 -7.776 2.539 0.212 258 H LYS 40 H LYS 40 -9.788 7.711 -5.046 259 HA LYS 40 HA LYS 40 -11.211 8.232 -2.688 260 HB2 LYS 40 1HB LYS 40 -11.564 10.490 -3.629 261 HB3 LYS 40 2HB LYS 40 -9.896 9.954 -3.780 262 HG2 LYS 40 1HG LYS 40 -10.595 9.197 -6.147 263 HG3 LYS 40 2HG LYS 40 -11.974 10.272 -5.905 264 HD2 LYS 40 1HD LYS 40 -10.053 11.944 -5.155 265 HD3 LYS 40 2HD LYS 40 -9.088 10.912 -6.214 266 HE2 LYS 40 1HE LYS 40 -10.249 11.530 -8.095 267 HE3 LYS 40 2HE LYS 40 -11.717 11.910 -7.196 268 HZ1 LYS 40 1HZ LYS 40 -9.475 13.595 -6.540 269 HZ2 LYS 40 2HZ LYS 40 -11.073 14.013 -6.900 270 HZ3 LYS 40 3HZ LYS 40 -9.971 13.729 -8.152 271 H CYS 41 H CYS 41 -12.285 6.838 -5.532 272 HA CYS 41 HA CYS 41 -15.052 7.734 -5.107 273 HB2 CYS 41 1HB CYS 41 -13.868 7.875 -7.411 274 HB3 CYS 41 2HB CYS 41 -14.125 6.136 -7.478 275 HG CYS 41 HG CYS 41 -16.701 6.154 -7.938 276 H GLY 42 H GLY 42 -12.931 5.075 -4.746 277 HA2 GLY 42 1HA GLY 42 -13.696 3.293 -3.259 278 HA3 GLY 42 2HA GLY 42 -15.240 3.352 -4.096 279 H ASP 43 H ASP 43 -14.122 3.524 -6.745 280 HA ASP 43 HA ASP 43 -14.078 0.906 -7.526 281 HB2 ASP 43 1HB ASP 43 -12.419 3.035 -8.881 282 HB3 ASP 43 2HB ASP 43 -13.172 1.625 -9.620 283 H TYR 44 H TYR 44 -12.874 -0.501 -6.323 284 HA TYR 44 HA TYR 44 -10.090 -0.013 -5.770 285 HB2 TYR 44 1HB TYR 44 -11.719 -2.529 -5.365 286 HB3 TYR 44 2HB TYR 44 -10.133 -2.197 -4.678 287 HD1 TYR 44 1HD TYR 44 -10.525 0.640 -3.838 288 HD2 TYR 44 2HD TYR 44 -13.068 -2.750 -3.461 289 HE1 TYR 44 1HE TYR 44 -11.589 1.664 -1.872 290 HE2 TYR 44 2HE TYR 44 -14.140 -1.735 -1.494 291 HH TYR 44 HH TYR 44 -14.480 0.534 -0.549 292 H GLY 45 H GLY 45 -11.922 -2.315 -7.774 293 HA2 GLY 45 1HA GLY 45 -9.860 -3.793 -8.840 294 HA3 GLY 45 2HA GLY 45 -11.332 -3.400 -9.714 295 H GLY 46 H GLY 46 -10.845 -0.531 -9.705 296 HA2 GLY 46 1HA GLY 46 -9.057 -0.464 -11.993 297 HA3 GLY 46 2HA GLY 46 -10.076 0.850 -11.424 298 H ALA 47 H ALA 47 -9.351 1.511 -9.035 299 HA ALA 47 HA ALA 47 -7.146 3.037 -9.137 300 HB1 ALA 47 1HB ALA 47 -7.253 3.279 -6.848 301 HB2 ALA 47 2HB ALA 47 -8.862 2.655 -7.213 302 HB3 ALA 47 3HB ALA 47 -7.622 1.575 -6.578 303 H LEU 48 H LEU 48 -7.182 -0.415 -8.450 304 HA LEU 48 HA LEU 48 -4.393 -0.565 -7.819 305 HB2 LEU 48 1HB LEU 48 -6.108 -2.165 -6.994 306 HB3 LEU 48 2HB LEU 48 -6.266 -2.780 -8.638 307 HG LEU 48 HG LEU 48 -4.805 -4.050 -6.897 308 HD11 LEU 48 1HD1 LEU 48 -4.657 -5.085 -8.885 309 HD12 LEU 48 2HD1 LEU 48 -3.078 -4.304 -8.963 310 HD13 LEU 48 3HD1 LEU 48 -4.463 -3.576 -9.777 311 HD21 LEU 48 1HD2 LEU 48 -2.906 -1.903 -7.838 312 HD22 LEU 48 2HD2 LEU 48 -2.442 -3.368 -6.971 313 HD23 LEU 48 3HD2 LEU 48 -3.462 -2.162 -6.184 314 H ALA 49 H ALA 49 -6.361 -1.417 -10.651 315 HA ALA 49 HA ALA 49 -4.456 -2.511 -12.295 316 HB1 ALA 49 1HB ALA 49 -5.832 -1.293 -14.162 317 HB2 ALA 49 2HB ALA 49 -6.564 -2.578 -13.201 318 HB3 ALA 49 3HB ALA 49 -6.902 -0.890 -12.819 319 H ALA 50 H ALA 50 -5.082 0.916 -11.689 320 HA ALA 50 HA ALA 50 -3.314 1.952 -13.621 321 HB1 ALA 50 1HB ALA 50 -3.470 4.043 -12.401 322 HB2 ALA 50 2HB ALA 50 -5.059 3.286 -12.521 323 HB3 ALA 50 3HB ALA 50 -4.155 3.203 -11.009 324 H TYR 51 H TYR 51 -2.862 1.400 -10.130 325 HA TYR 51 HA TYR 51 -0.242 2.269 -9.908 326 HB2 TYR 51 1HB TYR 51 -1.641 0.033 -8.428 327 HB3 TYR 51 2HB TYR 51 -0.091 0.718 -7.952 328 HD1 TYR 51 1HD TYR 51 -0.581 3.600 -8.423 329 HD2 TYR 51 2HD TYR 51 -3.078 0.625 -6.686 330 HE1 TYR 51 1HE TYR 51 -1.744 5.340 -7.130 331 HE2 TYR 51 2HE TYR 51 -4.249 2.357 -5.390 332 HH TYR 51 HH TYR 51 -3.171 5.711 -5.410 333 H THR 52 H THR 52 -1.500 -0.717 -11.201 334 HA THR 52 HA THR 52 0.834 -2.270 -11.152 335 HB THR 52 HB THR 52 -1.408 -2.337 -13.182 336 HG1 THR 52 1HG THR 52 -1.073 -3.392 -10.600 337 HG21 THR 52 1HG2 THR 52 0.392 -3.560 -14.106 338 HG22 THR 52 2HG2 THR 52 -0.663 -4.763 -13.363 339 HG23 THR 52 3HG2 THR 52 0.817 -4.262 -12.545 340 H GLN 53 H GLN 53 -0.523 -0.399 -13.874 341 HA GLN 53 HA GLN 53 1.550 -0.751 -15.667 342 HB2 GLN 53 1HB GLN 53 0.189 1.907 -15.509 343 HB3 GLN 53 2HB GLN 53 0.606 0.951 -16.925 344 HG2 GLN 53 1HG GLN 53 -1.165 -0.708 -15.904 345 HG3 GLN 53 2HG GLN 53 -1.752 0.764 -15.131 346 HE21 GLN 53 1HE2 GLN 53 -2.107 2.625 -16.613 347 HE22 GLN 53 2HE2 GLN 53 -2.773 2.290 -18.171 348 H ALA 54 H ALA 54 1.113 1.994 -13.433 349 HA ALA 54 HA ALA 54 3.311 3.489 -13.931 350 HB1 ALA 54 1HB ALA 54 2.467 4.543 -12.171 351 HB2 ALA 54 2HB ALA 54 1.574 3.100 -11.687 352 HB3 ALA 54 3HB ALA 54 3.228 3.343 -11.126 353 H LEU 55 H LEU 55 3.297 0.779 -11.605 354 HA LEU 55 HA LEU 55 6.053 0.798 -11.103 355 HB2 LEU 55 1HB LEU 55 3.933 -1.307 -10.857 356 HB3 LEU 55 2HB LEU 55 5.618 -1.661 -10.479 357 HG LEU 55 HG LEU 55 4.086 0.555 -9.137 358 HD11 LEU 55 1HD1 LEU 55 3.327 -2.031 -8.930 359 HD12 LEU 55 2HD1 LEU 55 3.167 -0.843 -7.637 360 HD13 LEU 55 3HD1 LEU 55 4.545 -1.943 -7.658 361 HD21 LEU 55 1HD2 LEU 55 6.540 -0.981 -8.293 362 HD22 LEU 55 2HD2 LEU 55 5.822 0.408 -7.477 363 HD23 LEU 55 3HD2 LEU 55 6.564 0.604 -9.066 364 H GLY 56 H GLY 56 4.139 -0.967 -13.503 365 HA2 GLY 56 1HA GLY 56 5.985 -2.714 -14.527 366 HA3 GLY 56 2HA GLY 56 4.778 -1.898 -15.509 367 H LEU 57 H LEU 57 5.771 0.754 -15.145 368 HA LEU 57 HA LEU 57 7.845 0.715 -17.133 369 HB2 LEU 57 1HB LEU 57 6.647 3.035 -15.626 370 HB3 LEU 57 2HB LEU 57 7.676 3.149 -17.052 371 HG LEU 57 HG LEU 57 4.946 1.867 -17.013 372 HD11 LEU 57 1HD1 LEU 57 4.772 4.102 -18.574 373 HD12 LEU 57 2HD1 LEU 57 5.787 4.654 -17.242 374 HD13 LEU 57 3HD1 LEU 57 4.196 3.969 -16.912 375 HD21 LEU 57 1HD2 LEU 57 7.042 2.292 -19.084 376 HD22 LEU 57 2HD2 LEU 57 5.346 2.399 -19.559 377 HD23 LEU 57 3HD2 LEU 57 5.966 0.917 -18.829 378 H ASP 58 H ASP 58 9.948 1.498 -16.939 379 HA ASP 58 HA ASP 58 11.233 0.960 -14.464 380 HB2 ASP 58 1HB ASP 58 12.132 2.027 -17.119 381 HB3 ASP 58 2HB ASP 58 13.224 2.078 -15.737 382 H ALA 59 H ALA 59 10.257 2.362 -12.955 383 HA ALA 59 HA ALA 59 10.827 5.224 -13.292 384 HB1 ALA 59 1HB ALA 59 9.239 5.527 -11.398 385 HB2 ALA 59 2HB ALA 59 8.519 4.789 -12.830 386 HB3 ALA 59 3HB ALA 59 8.935 3.790 -11.438 387 H THR 60 H THR 60 11.509 6.411 -11.325 388 HA THR 60 HA THR 60 13.853 5.264 -10.231 389 HB THR 60 HB THR 60 13.521 7.351 -8.600 390 HG1 THR 60 1HG THR 60 12.344 8.975 -9.795 391 HG21 THR 60 1HG2 THR 60 14.091 8.182 -11.379 392 HG22 THR 60 2HG2 THR 60 15.052 6.841 -10.755 393 HG23 THR 60 3HG2 THR 60 15.049 8.391 -9.913 394 HA PRO 61 HA PRO 61 12.514 3.290 -6.547 395 HB2 PRO 61 1HB PRO 61 14.451 3.982 -4.776 396 HB3 PRO 61 2HB PRO 61 14.722 2.841 -6.098 397 HG2 PRO 61 1HG PRO 61 15.416 5.748 -5.934 398 HG3 PRO 61 2HG PRO 61 16.382 4.401 -6.563 399 HD2 PRO 61 1HD PRO 61 15.019 6.095 -8.177 400 HD3 PRO 61 2HD PRO 61 15.275 4.386 -8.584 401 H GLN 62 H GLN 62 12.726 6.691 -6.696 402 HA GLN 62 HA GLN 62 11.754 7.172 -4.016 403 HB2 GLN 62 1HB GLN 62 13.262 8.709 -5.482 404 HB3 GLN 62 2HB GLN 62 11.745 9.219 -6.209 405 HG2 GLN 62 1HG GLN 62 12.480 10.719 -4.420 406 HG3 GLN 62 2HG GLN 62 10.922 9.970 -4.073 407 HE21 GLN 62 1HE2 GLN 62 14.389 9.548 -3.492 408 HE22 GLN 62 2HE2 GLN 62 14.223 8.921 -1.891 409 H ASP 63 H ASP 63 10.443 6.756 -7.203 410 HA ASP 63 HA ASP 63 7.828 7.770 -6.437 411 HB2 ASP 63 1HB ASP 63 9.024 7.924 -8.783 412 HB3 ASP 63 2HB ASP 63 8.320 6.325 -9.009 413 H GLN 64 H GLN 64 9.308 4.682 -7.372 414 HA GLN 64 HA GLN 64 7.165 3.004 -7.385 415 HB2 GLN 64 1HB GLN 64 9.932 2.545 -6.279 416 HB3 GLN 64 2HB GLN 64 8.745 1.257 -6.433 417 HG2 GLN 64 1HG GLN 64 8.779 1.332 -8.755 418 HG3 GLN 64 2HG GLN 64 9.494 2.943 -8.786 419 HE21 GLN 64 1HE2 GLN 64 11.502 2.931 -9.463 420 HE22 GLN 64 2HE2 GLN 64 12.674 1.695 -9.175 421 H ALA 65 H ALA 65 9.126 3.627 -4.468 422 HA ALA 65 HA ALA 65 7.758 2.308 -2.564 423 HB1 ALA 65 1HB ALA 65 9.686 4.204 -2.505 424 HB2 ALA 65 2HB ALA 65 8.345 5.075 -1.761 425 HB3 ALA 65 3HB ALA 65 8.896 3.548 -1.071 426 H VAL 66 H VAL 66 6.832 5.483 -3.860 427 HA VAL 66 HA VAL 66 4.588 5.895 -2.227 428 HB VAL 66 HB VAL 66 4.705 6.875 -5.062 429 HG11 VAL 66 1HG1 VAL 66 2.864 7.294 -3.168 430 HG12 VAL 66 2HG1 VAL 66 3.984 8.598 -2.769 431 HG13 VAL 66 3HG1 VAL 66 3.281 8.502 -4.384 432 HG21 VAL 66 1HG2 VAL 66 5.953 8.819 -3.548 433 HG22 VAL 66 2HG2 VAL 66 6.677 7.317 -2.974 434 HG23 VAL 66 3HG2 VAL 66 6.735 7.725 -4.689 435 H LEU 67 H LEU 67 4.979 4.183 -5.278 436 HA LEU 67 HA LEU 67 2.177 3.748 -5.675 437 HB2 LEU 67 1HB LEU 67 4.405 2.138 -6.886 438 HB3 LEU 67 2HB LEU 67 2.792 2.428 -7.534 439 HG LEU 67 HG LEU 67 4.673 4.722 -7.175 440 HD11 LEU 67 1HD1 LEU 67 4.741 3.610 -9.842 441 HD12 LEU 67 2HD1 LEU 67 5.395 2.488 -8.650 442 HD13 LEU 67 3HD1 LEU 67 6.068 4.112 -8.792 443 HD21 LEU 67 1HD2 LEU 67 3.400 5.691 -8.935 444 HD22 LEU 67 2HD2 LEU 67 2.255 4.998 -7.786 445 HD23 LEU 67 3HD2 LEU 67 2.611 4.156 -9.295 446 H HIS 68 H HIS 68 4.876 1.677 -4.627 447 HA HIS 68 HA HIS 68 3.546 -0.693 -4.233 448 HB2 HIS 68 1HB HIS 68 5.899 0.586 -2.918 449 HB3 HIS 68 2HB HIS 68 5.229 -0.870 -2.188 450 HD1 HIS 68 1HD HIS 68 4.689 -2.678 -4.469 451 HD2 HIS 68 2HD HIS 68 8.020 -0.196 -4.384 452 HE1 HIS 68 1HE HIS 68 6.347 -3.724 -6.044 453 HE2 HIS 68 2HE HIS 68 8.386 -2.251 -5.911 454 H ARG 69 H ARG 69 3.889 1.971 -1.901 455 HA ARG 69 HA ARG 69 2.363 0.749 0.140 456 HB2 ARG 69 1HB ARG 69 2.309 2.960 1.172 457 HB3 ARG 69 2HB ARG 69 3.921 2.598 0.569 458 HG2 ARG 69 1HG ARG 69 3.521 3.993 -1.384 459 HG3 ARG 69 2HG ARG 69 1.886 4.335 -0.813 460 HD2 ARG 69 1HD ARG 69 4.224 4.907 0.955 461 HD3 ARG 69 2HD ARG 69 3.825 6.023 -0.350 462 HE ARG 69 HE ARG 69 2.327 5.572 2.081 463 HH11 ARG 69 2HH1 ARG 69 2.303 6.850 -1.157 464 HH12 ARG 69 1HH1 ARG 69 0.973 7.921 -0.864 465 HH21 ARG 69 2HH2 ARG 69 0.576 6.978 2.479 466 HH22 ARG 69 1HH2 ARG 69 -0.008 7.994 1.205 467 H ASN 70 H ASN 70 1.511 2.556 -2.698 468 HA ASN 70 HA ASN 70 -1.143 3.225 -1.872 469 HB2 ASN 70 1HB ASN 70 0.395 3.352 -4.431 470 HB3 ASN 70 2HB ASN 70 -1.362 3.465 -4.499 471 HD21 ASN 70 1HD2 ASN 70 -1.072 5.598 -5.306 472 HD22 ASN 70 2HD2 ASN 70 -0.732 6.904 -4.227 473 H ARG 71 H ARG 71 0.351 0.531 -3.531 474 HA ARG 71 HA ARG 71 -2.058 -0.648 -4.480 475 HB2 ARG 71 1HB ARG 71 0.766 -1.589 -4.137 476 HB3 ARG 71 2HB ARG 71 -0.500 -2.751 -4.508 477 HG2 ARG 71 1HG ARG 71 -1.079 -1.387 -6.506 478 HG3 ARG 71 2HG ARG 71 0.326 -0.377 -6.159 479 HD2 ARG 71 1HD ARG 71 0.908 -2.023 -7.825 480 HD3 ARG 71 2HD ARG 71 1.762 -2.378 -6.324 481 HE ARG 71 HE ARG 71 -0.415 -3.925 -6.104 482 HH11 ARG 71 2HH1 ARG 71 1.847 -3.456 -8.708 483 HH12 ARG 71 1HH1 ARG 71 1.668 -5.064 -9.328 484 HH21 ARG 71 2HH2 ARG 71 -0.660 -6.045 -6.910 485 HH22 ARG 71 1HH2 ARG 71 0.241 -6.535 -8.304 486 H ALA 72 H ALA 72 -0.094 -1.072 -1.573 487 HA ALA 72 HA ALA 72 -1.245 -3.308 -0.462 488 HB1 ALA 72 1HB ALA 72 0.584 -2.464 0.690 489 HB2 ALA 72 2HB ALA 72 -0.087 -0.834 0.762 490 HB3 ALA 72 3HB ALA 72 -0.761 -2.111 1.774 491 H ALA 73 H ALA 73 -2.566 -0.093 -0.738 492 HA ALA 73 HA ALA 73 -4.635 -0.338 1.173 493 HB1 ALA 73 1HB ALA 73 -5.249 1.353 -1.130 494 HB2 ALA 73 2HB ALA 73 -5.145 1.760 0.584 495 HB3 ALA 73 3HB ALA 73 -3.680 1.686 -0.396 496 H CYS 74 H CYS 74 -4.914 -0.390 -2.387 497 HA CYS 74 HA CYS 74 -7.493 -1.207 -2.652 498 HB2 CYS 74 1HB CYS 74 -5.166 -2.191 -4.317 499 HB3 CYS 74 2HB CYS 74 -6.858 -2.218 -4.800 500 HG CYS 74 HG CYS 74 -4.650 0.191 -5.120 501 H HIS 75 H HIS 75 -4.706 -3.424 -2.457 502 HA HIS 75 HA HIS 75 -5.956 -5.839 -2.530 503 HB2 HIS 75 1HB HIS 75 -3.616 -4.937 -0.857 504 HB3 HIS 75 2HB HIS 75 -4.146 -6.616 -0.897 505 HD1 HIS 75 1HD HIS 75 -4.575 -7.183 -3.781 506 HD2 HIS 75 2HD HIS 75 -1.444 -4.800 -2.448 507 HE1 HIS 75 1HE HIS 75 -2.854 -7.249 -5.613 508 HE2 HIS 75 2HE HIS 75 -0.932 -5.869 -4.747 509 H LEU 76 H LEU 76 -5.236 -4.137 0.525 510 HA LEU 76 HA LEU 76 -6.504 -5.708 2.321 511 HB2 LEU 76 1HB LEU 76 -6.458 -2.705 2.169 512 HB3 LEU 76 2HB LEU 76 -7.089 -3.582 3.561 513 HG LEU 76 HG LEU 76 -4.294 -4.080 2.615 514 HD11 LEU 76 1HD1 LEU 76 -3.418 -2.226 3.604 515 HD12 LEU 76 2HD1 LEU 76 -4.771 -2.043 4.720 516 HD13 LEU 76 3HD1 LEU 76 -4.946 -1.553 3.035 517 HD21 LEU 76 1HD2 LEU 76 -4.656 -5.567 4.280 518 HD22 LEU 76 2HD2 LEU 76 -5.941 -4.605 5.011 519 HD23 LEU 76 3HD2 LEU 76 -4.252 -4.181 5.293 520 H LYS 77 H LYS 77 -8.033 -3.517 0.043 521 HA LYS 77 HA LYS 77 -10.671 -3.909 1.140 522 HB2 LYS 77 1HB LYS 77 -9.808 -2.644 -1.467 523 HB3 LYS 77 2HB LYS 77 -11.426 -2.573 -0.782 524 HG2 LYS 77 1HG LYS 77 -9.124 -1.581 0.829 525 HG3 LYS 77 2HG LYS 77 -9.761 -0.585 -0.483 526 HD2 LYS 77 1HD LYS 77 -12.050 -0.940 0.573 527 HD3 LYS 77 2HD LYS 77 -11.186 -1.569 1.977 528 HE2 LYS 77 1HE LYS 77 -10.164 0.492 2.412 529 HE3 LYS 77 2HE LYS 77 -10.519 1.108 0.799 530 HZ1 LYS 77 1HZ LYS 77 -11.984 2.130 2.368 531 HZ2 LYS 77 2HZ LYS 77 -12.471 0.632 2.984 532 HZ3 LYS 77 3HZ LYS 77 -12.895 1.076 1.408 533 H LEU 78 H LEU 78 -8.727 -5.247 -1.441 534 HA LEU 78 HA LEU 78 -10.981 -6.821 -2.430 535 HB2 LEU 78 1HB LEU 78 -8.142 -6.636 -3.428 536 HB3 LEU 78 2HB LEU 78 -9.454 -7.515 -4.211 537 HG LEU 78 HG LEU 78 -9.724 -4.576 -3.749 538 HD11 LEU 78 1HD1 LEU 78 -7.792 -5.894 -5.533 539 HD12 LEU 78 2HD1 LEU 78 -7.803 -4.259 -4.875 540 HD13 LEU 78 3HD1 LEU 78 -8.795 -4.651 -6.279 541 HD21 LEU 78 1HD2 LEU 78 -10.605 -6.236 -6.091 542 HD22 LEU 78 2HD2 LEU 78 -11.221 -4.674 -5.551 543 HD23 LEU 78 3HD2 LEU 78 -11.557 -6.128 -4.610 544 H GLU 79 H GLU 79 -10.230 -7.462 0.158 545 HA GLU 79 HA GLU 79 -9.432 -9.132 1.515 546 HB2 GLU 79 1HB GLU 79 -10.814 -10.412 -0.791 547 HB3 GLU 79 2HB GLU 79 -9.940 -11.460 0.318 548 HG2 GLU 79 1HG GLU 79 -11.264 -10.725 2.165 549 HG3 GLU 79 2HG GLU 79 -12.035 -9.483 1.180 550 H ASP 80 H ASP 80 -7.306 -8.013 0.240 551 HA ASP 80 HA ASP 80 -5.620 -10.350 -0.380 552 HB2 ASP 80 1HB ASP 80 -5.728 -7.648 -1.683 553 HB3 ASP 80 2HB ASP 80 -4.230 -8.573 -1.690 554 H TYR 81 H TYR 81 -6.059 -9.314 2.214 555 HA TYR 81 HA TYR 81 -4.232 -7.451 3.136 556 HB2 TYR 81 1HB TYR 81 -4.960 -9.939 4.676 557 HB3 TYR 81 2HB TYR 81 -4.584 -8.340 5.310 558 HD1 TYR 81 1HD TYR 81 -7.130 -10.330 3.522 559 HD2 TYR 81 2HD TYR 81 -6.266 -6.666 5.504 560 HE1 TYR 81 1HE TYR 81 -9.527 -9.780 3.538 561 HE2 TYR 81 2HE TYR 81 -8.661 -6.107 5.527 562 HH TYR 81 HH TYR 81 -11.058 -8.229 3.999 563 H ASP 82 H ASP 82 -3.792 -10.898 2.522 564 HA ASP 82 HA ASP 82 -1.365 -11.404 3.665 565 HB2 ASP 82 1HB ASP 82 -2.409 -13.214 2.588 566 HB3 ASP 82 2HB ASP 82 -2.551 -12.340 1.065 567 H LYS 83 H LYS 83 -1.778 -10.238 0.317 568 HA LYS 83 HA LYS 83 0.964 -9.721 -0.100 569 HB2 LYS 83 1HB LYS 83 -1.483 -8.612 -1.484 570 HB3 LYS 83 2HB LYS 83 0.164 -8.371 -2.049 571 HG2 LYS 83 1HG LYS 83 0.427 -10.613 -2.619 572 HG3 LYS 83 2HG LYS 83 -0.937 -11.123 -1.621 573 HD2 LYS 83 1HD LYS 83 -2.508 -10.251 -3.146 574 HD3 LYS 83 2HD LYS 83 -1.279 -9.316 -4.000 575 HE2 LYS 83 1HE LYS 83 -0.321 -11.282 -4.935 576 HE3 LYS 83 2HE LYS 83 -1.281 -12.325 -3.887 577 HZ1 LYS 83 1HZ LYS 83 -3.079 -12.139 -5.202 578 HZ2 LYS 83 2HZ LYS 83 -1.943 -11.759 -6.395 579 HZ3 LYS 83 3HZ LYS 83 -2.780 -10.522 -5.600 580 H ALA 84 H ALA 84 -1.725 -7.632 0.878 581 HA ALA 84 HA ALA 84 -0.732 -5.141 0.809 582 HB1 ALA 84 1HB ALA 84 -1.806 -5.693 3.466 583 HB2 ALA 84 2HB ALA 84 -2.402 -4.618 2.201 584 HB3 ALA 84 3HB ALA 84 -2.796 -6.336 2.156 585 H GLU 85 H GLU 85 0.138 -7.567 3.248 586 HA GLU 85 HA GLU 85 1.802 -5.934 4.807 587 HB2 GLU 85 1HB GLU 85 0.895 -8.326 5.255 588 HB3 GLU 85 2HB GLU 85 2.338 -8.861 4.405 589 HG2 GLU 85 1HG GLU 85 3.641 -7.423 6.053 590 HG3 GLU 85 2HG GLU 85 2.146 -7.348 6.984 591 H THR 86 H THR 86 2.727 -8.310 2.311 592 HA THR 86 HA THR 86 5.444 -7.782 2.251 593 HB THR 86 HB THR 86 3.690 -8.561 -0.087 594 HG1 THR 86 1HG THR 86 3.532 -10.084 1.556 595 HG21 THR 86 1HG2 THR 86 5.862 -7.774 -0.844 596 HG22 THR 86 2HG2 THR 86 5.763 -9.527 -1.016 597 HG23 THR 86 3HG2 THR 86 6.671 -8.821 0.321 598 H GLU 87 H GLU 87 2.983 -6.437 0.039 599 HA GLU 87 HA GLU 87 4.482 -4.740 -1.452 600 HB2 GLU 87 1HB GLU 87 1.773 -4.132 -0.255 601 HB3 GLU 87 2HB GLU 87 2.497 -3.265 -1.603 602 HG2 GLU 87 1HG GLU 87 1.969 -6.219 -1.669 603 HG3 GLU 87 2HG GLU 87 0.784 -5.020 -2.183 604 H ALA 88 H ALA 88 2.935 -3.779 1.617 605 HA ALA 88 HA ALA 88 3.868 -1.256 1.929 606 HB1 ALA 88 1HB ALA 88 4.221 -2.506 4.452 607 HB2 ALA 88 2HB ALA 88 2.870 -1.521 3.891 608 HB3 ALA 88 3HB ALA 88 2.848 -3.268 3.650 609 H SER 89 H SER 89 5.647 -4.194 2.874 610 HA SER 89 HA SER 89 7.944 -2.965 3.844 611 HB2 SER 89 1HB SER 89 7.389 -5.654 2.640 612 HB3 SER 89 2HB SER 89 9.052 -5.190 3.001 613 HG SER 89 HG SER 89 6.873 -5.324 4.813 614 H LYS 90 H LYS 90 7.166 -3.997 0.542 615 HA LYS 90 HA LYS 90 9.629 -3.344 -0.633 616 HB2 LYS 90 1HB LYS 90 6.880 -3.307 -1.893 617 HB3 LYS 90 2HB LYS 90 8.407 -3.350 -2.764 618 HG2 LYS 90 1HG LYS 90 8.849 -5.523 -1.467 619 HG3 LYS 90 2HG LYS 90 7.118 -5.495 -1.123 620 HD2 LYS 90 1HD LYS 90 8.149 -5.211 -3.926 621 HD3 LYS 90 2HD LYS 90 7.939 -6.801 -3.187 622 HE2 LYS 90 1HE LYS 90 5.571 -6.166 -2.697 623 HE3 LYS 90 2HE LYS 90 5.827 -4.697 -3.638 624 HZ1 LYS 90 1HZ LYS 90 5.923 -7.498 -4.604 625 HZ2 LYS 90 2HZ LYS 90 6.463 -6.185 -5.523 626 HZ3 LYS 90 3HZ LYS 90 4.838 -6.284 -5.064 627 H ALA 91 H ALA 91 7.057 -1.362 0.483 628 HA ALA 91 HA ALA 91 7.900 0.939 -1.095 629 HB1 ALA 91 1HB ALA 91 5.474 0.384 -0.629 630 HB2 ALA 91 2HB ALA 91 5.772 0.908 1.029 631 HB3 ALA 91 3HB ALA 91 5.972 2.045 -0.305 632 H ILE 92 H ILE 92 8.776 -0.527 1.770 633 HA ILE 92 HA ILE 92 9.431 1.945 3.170 634 HB ILE 92 HB ILE 92 9.711 -0.956 3.938 635 HG12 ILE 92 1HG1 ILE 92 8.174 1.189 5.381 636 HG13 ILE 92 2HG1 ILE 92 7.471 0.348 4.003 637 HG21 ILE 92 1HG2 ILE 92 11.193 1.310 4.906 638 HG22 ILE 92 2HG2 ILE 92 10.192 0.631 6.189 639 HG23 ILE 92 3HG2 ILE 92 11.345 -0.394 5.334 640 HD11 ILE 92 1HD1 ILE 92 7.278 -0.444 6.595 641 HD12 ILE 92 2HD1 ILE 92 7.065 -1.494 5.194 642 HD13 ILE 92 3HD1 ILE 92 8.623 -1.426 6.016 643 H GLU 93 H GLU 93 11.066 -0.834 1.699 644 HA GLU 93 HA GLU 93 13.688 -0.248 2.350 645 HB2 GLU 93 1HB GLU 93 14.316 -1.498 0.322 646 HB3 GLU 93 2HB GLU 93 13.062 -2.317 1.241 647 HG2 GLU 93 1HG GLU 93 11.386 -1.328 -0.328 648 HG3 GLU 93 2HG GLU 93 12.736 -0.750 -1.303 649 H LYS 94 H LYS 94 11.901 0.802 -0.547 650 HA LYS 94 HA LYS 94 13.702 2.217 -1.938 651 HB2 LYS 94 1HB LYS 94 10.836 2.720 -1.317 652 HB3 LYS 94 2HB LYS 94 11.731 4.013 -2.105 653 HG2 LYS 94 1HG LYS 94 10.569 2.607 -3.720 654 HG3 LYS 94 2HG LYS 94 12.320 2.521 -3.930 655 HD2 LYS 94 1HD LYS 94 12.442 0.359 -3.141 656 HD3 LYS 94 2HD LYS 94 10.958 0.508 -2.197 657 HE2 LYS 94 1HE LYS 94 10.185 -0.790 -3.905 658 HE3 LYS 94 2HE LYS 94 9.893 0.803 -4.601 659 HZ1 LYS 94 1HZ LYS 94 11.134 -1.041 -5.946 660 HZ2 LYS 94 2HZ LYS 94 12.481 -0.485 -5.088 661 HZ3 LYS 94 3HZ LYS 94 11.606 0.579 -6.070 662 H ASP 95 H ASP 95 11.721 3.970 0.448 663 HA ASP 95 HA ASP 95 13.702 6.039 0.674 664 HB2 ASP 95 1HB ASP 95 11.329 6.597 0.806 665 HB3 ASP 95 2HB ASP 95 11.146 5.566 2.222 666 H GLY 96 H GLY 96 12.213 3.886 3.108 667 HA2 GLY 96 1HA GLY 96 13.799 2.527 4.457 668 HA3 GLY 96 2HA GLY 96 14.780 3.981 4.571 669 H GLY 97 H GLY 97 12.972 5.917 5.181 670 HA2 GLY 97 1HA GLY 97 11.890 4.970 7.763 671 HA3 GLY 97 2HA GLY 97 12.602 6.560 7.528 672 H ASP 98 H ASP 98 10.198 4.712 5.663 673 HA ASP 98 HA ASP 98 8.480 7.086 5.679 674 HB2 ASP 98 1HB ASP 98 9.045 6.098 3.487 675 HB3 ASP 98 2HB ASP 98 8.300 4.583 3.988 676 H VAL 99 H VAL 99 6.849 7.176 7.060 677 HA VAL 99 HA VAL 99 5.978 4.792 8.462 678 HB VAL 99 HB VAL 99 4.781 6.222 9.926 679 HG11 VAL 99 1HG1 VAL 99 6.529 8.056 10.394 680 HG12 VAL 99 2HG1 VAL 99 7.036 6.369 10.491 681 HG13 VAL 99 3HG1 VAL 99 7.430 7.329 9.064 682 HG21 VAL 99 1HG2 VAL 99 5.188 8.430 7.911 683 HG22 VAL 99 2HG2 VAL 99 3.669 7.601 8.248 684 HG23 VAL 99 3HG2 VAL 99 4.420 8.605 9.488 685 H LYS 100 H LYS 100 4.881 6.850 5.898 686 HA LYS 100 HA LYS 100 2.151 6.457 5.907 687 HB2 LYS 100 1HB LYS 100 3.936 6.501 3.468 688 HB3 LYS 100 2HB LYS 100 2.213 6.847 3.498 689 HG2 LYS 100 1HG LYS 100 4.194 8.454 5.079 690 HG3 LYS 100 2HG LYS 100 3.790 8.830 3.402 691 HD2 LYS 100 1HD LYS 100 1.531 9.268 3.945 692 HD3 LYS 100 2HD LYS 100 1.697 8.541 5.545 693 HE2 LYS 100 1HE LYS 100 1.655 10.946 5.751 694 HE3 LYS 100 2HE LYS 100 3.261 10.348 6.166 695 HZ1 LYS 100 1HZ LYS 100 3.163 12.366 4.686 696 HZ2 LYS 100 2HZ LYS 100 2.592 11.350 3.461 697 HZ3 LYS 100 3HZ LYS 100 4.125 11.091 4.129 698 H ALA 101 H ALA 101 4.674 4.335 4.617 699 HA ALA 101 HA ALA 101 2.797 2.378 3.664 700 HB1 ALA 101 1HB ALA 101 5.177 1.066 3.737 701 HB2 ALA 101 2HB ALA 101 4.627 2.079 2.401 702 HB3 ALA 101 3HB ALA 101 5.705 2.745 3.628 703 H LEU 102 H LEU 102 4.862 2.763 6.499 704 HA LEU 102 HA LEU 102 4.656 0.244 7.621 705 HB2 LEU 102 1HB LEU 102 4.977 2.986 8.748 706 HB3 LEU 102 2HB LEU 102 4.708 1.634 9.846 707 HG LEU 102 HG LEU 102 6.915 1.510 7.829 708 HD11 LEU 102 1HD1 LEU 102 7.955 2.350 10.323 709 HD12 LEU 102 2HD1 LEU 102 6.702 3.497 9.849 710 HD13 LEU 102 3HD1 LEU 102 8.050 3.165 8.762 711 HD21 LEU 102 1HD2 LEU 102 6.141 -0.447 9.255 712 HD22 LEU 102 2HD2 LEU 102 6.800 0.435 10.633 713 HD23 LEU 102 3HD2 LEU 102 7.860 -0.054 9.309 714 H TYR 103 H TYR 103 2.577 3.050 8.359 715 HA TYR 103 HA TYR 103 0.772 1.881 10.041 716 HB2 TYR 103 1HB TYR 103 0.788 4.283 9.393 717 HB3 TYR 103 2HB TYR 103 0.067 3.844 7.849 718 HD1 TYR 103 2HD TYR 103 -0.748 2.507 11.222 719 HD2 TYR 103 1HD TYR 103 -2.030 4.882 7.932 720 HE1 TYR 103 2HE TYR 103 -2.987 2.677 12.224 721 HE2 TYR 103 1HE TYR 103 -4.273 5.059 8.926 722 HH TYR 103 HH TYR 103 -5.535 4.626 10.713 723 H ARG 104 H ARG 104 0.932 1.602 6.543 724 HA ARG 104 HA ARG 104 -1.573 0.285 6.230 725 HB2 ARG 104 1HB ARG 104 0.806 0.799 4.513 726 HB3 ARG 104 2HB ARG 104 -0.293 -0.484 4.025 727 HG2 ARG 104 1HG ARG 104 -2.105 1.391 4.434 728 HG3 ARG 104 2HG ARG 104 -0.725 2.448 4.131 729 HD2 ARG 104 1HD ARG 104 -0.327 0.994 2.052 730 HD3 ARG 104 2HD ARG 104 -1.971 0.413 2.313 731 HE ARG 104 HE ARG 104 -2.757 2.406 1.516 732 HH11 ARG 104 2HH1 ARG 104 0.601 2.770 2.359 733 HH12 ARG 104 1HH1 ARG 104 0.730 4.365 1.694 734 HH21 ARG 104 2HH2 ARG 104 -2.600 4.504 0.636 735 HH22 ARG 104 1HH2 ARG 104 -1.092 5.351 0.715 736 H ARG 105 H ARG 105 1.782 -0.849 6.459 737 HA ARG 105 HA ARG 105 1.437 -3.538 5.992 738 HB2 ARG 105 1HB ARG 105 3.621 -2.429 6.364 739 HB3 ARG 105 2HB ARG 105 3.250 -2.313 8.079 740 HG2 ARG 105 1HG ARG 105 3.541 -4.562 8.436 741 HG3 ARG 105 2HG ARG 105 3.193 -4.982 6.757 742 HD2 ARG 105 1HD ARG 105 5.320 -4.463 6.046 743 HD3 ARG 105 2HD ARG 105 5.602 -3.337 7.374 744 HE ARG 105 HE ARG 105 5.342 -6.090 8.186 745 HH11 ARG 105 2HH1 ARG 105 7.517 -3.592 7.112 746 HH12 ARG 105 1HH1 ARG 105 8.921 -4.337 7.802 747 HH21 ARG 105 2HH2 ARG 105 7.183 -7.080 9.099 748 HH22 ARG 105 1HH2 ARG 105 8.730 -6.321 8.931 749 H SER 106 H SER 106 1.229 -1.894 9.148 750 HA SER 106 HA SER 106 0.665 -3.987 10.797 751 HB2 SER 106 1HB SER 106 -0.454 -2.438 12.262 752 HB3 SER 106 2HB SER 106 0.860 -1.572 11.466 753 HG SER 106 HG SER 106 -0.616 -0.594 10.124 754 H GLN 107 H GLN 107 -1.722 -2.171 8.882 755 HA GLN 107 HA GLN 107 -4.072 -3.265 9.578 756 HB2 GLN 107 1HB GLN 107 -3.237 -3.027 6.686 757 HB3 GLN 107 2HB GLN 107 -4.870 -2.929 7.332 758 HG2 GLN 107 1HG GLN 107 -3.864 -0.921 8.692 759 HG3 GLN 107 2HG GLN 107 -2.684 -0.917 7.382 760 HE21 GLN 107 1HE2 GLN 107 -3.487 1.164 6.818 761 HE22 GLN 107 2HE2 GLN 107 -4.946 1.324 5.907 762 H ALA 108 H ALA 108 -1.833 -4.791 7.264 763 HA ALA 108 HA ALA 108 -3.351 -7.155 6.948 764 HB1 ALA 108 1HB ALA 108 -1.867 -6.860 5.225 765 HB2 ALA 108 2HB ALA 108 -0.562 -6.337 6.290 766 HB3 ALA 108 3HB ALA 108 -0.999 -8.043 6.203 767 H LEU 109 H LEU 109 -0.349 -6.573 8.791 768 HA LEU 109 HA LEU 109 0.093 -8.964 9.952 769 HB2 LEU 109 1HB LEU 109 0.220 -6.231 11.198 770 HB3 LEU 109 2HB LEU 109 0.798 -7.677 12.023 771 HG LEU 109 HG LEU 109 1.863 -6.690 9.380 772 HD11 LEU 109 1HD1 LEU 109 3.186 -6.457 12.069 773 HD12 LEU 109 2HD1 LEU 109 2.254 -5.151 11.338 774 HD13 LEU 109 3HD1 LEU 109 3.702 -5.757 10.534 775 HD21 LEU 109 1HD2 LEU 109 3.769 -8.222 10.085 776 HD22 LEU 109 2HD2 LEU 109 2.281 -8.995 9.538 777 HD23 LEU 109 3HD2 LEU 109 2.642 -8.897 11.262 778 H GLU 110 H GLU 110 -2.168 -6.535 11.255 779 HA GLU 110 HA GLU 110 -3.116 -8.097 13.383 780 HB2 GLU 110 1HB GLU 110 -4.500 -5.886 11.855 781 HB3 GLU 110 2HB GLU 110 -5.056 -6.547 13.386 782 HG2 GLU 110 1HG GLU 110 -2.278 -5.518 13.241 783 HG3 GLU 110 2HG GLU 110 -3.600 -4.352 13.254 784 H LYS 111 H LYS 111 -3.995 -7.983 10.005 785 HA LYS 111 HA LYS 111 -6.425 -9.460 10.269 786 HB2 LYS 111 1HB LYS 111 -4.722 -8.508 8.025 787 HB3 LYS 111 2HB LYS 111 -5.808 -9.851 7.695 788 HG2 LYS 111 1HG LYS 111 -6.942 -7.490 9.080 789 HG3 LYS 111 2HG LYS 111 -6.531 -7.322 7.372 790 HD2 LYS 111 1HD LYS 111 -8.660 -8.095 7.143 791 HD3 LYS 111 2HD LYS 111 -7.821 -9.646 7.239 792 HE2 LYS 111 1HE LYS 111 -8.797 -8.309 9.730 793 HE3 LYS 111 2HE LYS 111 -9.922 -9.211 8.715 794 HZ1 LYS 111 1HZ LYS 111 -9.133 -11.124 9.477 795 HZ2 LYS 111 2HZ LYS 111 -8.281 -10.247 10.646 796 HZ3 LYS 111 3HZ LYS 111 -7.525 -10.677 9.195 797 H LEU 112 H LEU 112 -3.071 -10.286 9.558 798 HA LEU 112 HA LEU 112 -3.694 -13.076 9.130 799 HB2 LEU 112 1HB LEU 112 -1.058 -11.635 9.370 800 HB3 LEU 112 2HB LEU 112 -1.241 -13.337 8.952 801 HG LEU 112 HG LEU 112 -2.512 -11.204 7.273 802 HD11 LEU 112 1HD1 LEU 112 0.171 -11.171 7.757 803 HD12 LEU 112 2HD1 LEU 112 -0.603 -10.587 6.284 804 HD13 LEU 112 3HD1 LEU 112 0.068 -12.217 6.340 805 HD21 LEU 112 1HD2 LEU 112 -2.788 -13.856 7.187 806 HD22 LEU 112 2HD2 LEU 112 -1.335 -13.700 6.200 807 HD23 LEU 112 3HD2 LEU 112 -2.811 -12.848 5.740 808 H GLY 113 H GLY 113 -3.693 -11.286 11.815 809 HA2 GLY 113 1HA GLY 113 -3.938 -12.162 13.989 810 HA3 GLY 113 2HA GLY 113 -3.054 -13.596 13.486 811 H ARG 114 H ARG 114 -0.750 -12.527 12.454 812 HA ARG 114 HA ARG 114 0.916 -12.256 14.590 813 HB2 ARG 114 1HB ARG 114 2.450 -10.982 12.987 814 HB3 ARG 114 2HB ARG 114 1.927 -12.587 12.494 815 HG2 ARG 114 1HG ARG 114 0.106 -11.448 11.166 816 HG3 ARG 114 2HG ARG 114 0.949 -9.932 11.490 817 HD2 ARG 114 1HD ARG 114 1.586 -10.850 9.320 818 HD3 ARG 114 2HD ARG 114 2.959 -10.812 10.425 819 HE ARG 114 HE ARG 114 1.619 -13.165 9.380 820 HH11 ARG 114 2HH1 ARG 114 3.882 -11.842 11.670 821 HH12 ARG 114 1HH1 ARG 114 4.683 -13.353 11.949 822 HH21 ARG 114 2HH2 ARG 114 2.664 -15.160 9.739 823 HH22 ARG 114 1HH2 ARG 114 3.990 -15.240 10.850 824 H LEU 115 H LEU 115 0.066 -10.948 16.211 825 HA LEU 115 HA LEU 115 -0.351 -8.119 15.652 826 HB2 LEU 115 1HB LEU 115 -0.705 -9.711 18.187 827 HB3 LEU 115 2HB LEU 115 -1.110 -8.007 17.994 828 HG LEU 115 HG LEU 115 -2.532 -10.426 16.994 829 HD11 LEU 115 1HD1 LEU 115 -4.098 -8.091 17.608 830 HD12 LEU 115 2HD1 LEU 115 -2.984 -8.463 18.923 831 HD13 LEU 115 3HD1 LEU 115 -4.119 -9.688 18.357 832 HD21 LEU 115 1HD2 LEU 115 -2.608 -7.717 15.673 833 HD22 LEU 115 2HD2 LEU 115 -3.786 -9.002 15.403 834 HD23 LEU 115 3HD2 LEU 115 -2.099 -9.239 14.942 835 H ASP 116 H ASP 116 1.775 -10.216 17.537 836 HA ASP 116 HA ASP 116 3.197 -8.391 19.010 837 HB2 ASP 116 1HB ASP 116 4.618 -10.622 17.581 838 HB3 ASP 116 2HB ASP 116 4.892 -10.001 19.206 839 H GLN 117 H GLN 117 3.311 -8.944 15.577 840 HA GLN 117 HA GLN 117 5.730 -7.420 15.185 841 HB2 GLN 117 1HB GLN 117 3.713 -8.601 13.278 842 HB3 GLN 117 2HB GLN 117 5.098 -7.659 12.741 843 HG2 GLN 117 1HG GLN 117 5.344 -10.170 12.692 844 HG3 GLN 117 2HG GLN 117 6.625 -9.266 13.498 845 HE21 GLN 117 1HE2 GLN 117 3.411 -10.383 14.505 846 HE22 GLN 117 2HE2 GLN 117 3.957 -11.229 15.909 847 H ALA 118 H ALA 118 2.272 -6.961 14.496 848 HA ALA 118 HA ALA 118 2.223 -4.558 13.249 849 HB1 ALA 118 1HB ALA 118 0.119 -5.384 13.561 850 HB2 ALA 118 2HB ALA 118 0.417 -5.817 15.245 851 HB3 ALA 118 3HB ALA 118 0.131 -4.133 14.804 852 H VAL 119 H VAL 119 2.628 -5.062 16.736 853 HA VAL 119 HA VAL 119 2.655 -2.344 17.472 854 HB VAL 119 HB VAL 119 3.769 -4.810 18.784 855 HG11 VAL 119 1HG1 VAL 119 5.221 -3.433 19.822 856 HG12 VAL 119 2HG1 VAL 119 4.297 -1.984 19.422 857 HG13 VAL 119 3HG1 VAL 119 3.807 -2.996 20.781 858 HG21 VAL 119 1HG2 VAL 119 1.325 -4.491 18.726 859 HG22 VAL 119 2HG2 VAL 119 1.971 -4.456 20.367 860 HG23 VAL 119 3HG2 VAL 119 1.524 -2.951 19.563 861 H LEU 120 H LEU 120 5.272 -4.586 16.636 862 HA LEU 120 HA LEU 120 7.398 -2.801 17.130 863 HB2 LEU 120 1HB LEU 120 7.189 -5.195 15.316 864 HB3 LEU 120 2HB LEU 120 8.692 -4.328 15.623 865 HG LEU 120 HG LEU 120 7.113 -5.531 17.872 866 HD11 LEU 120 1HD1 LEU 120 8.834 -6.903 15.872 867 HD12 LEU 120 2HD1 LEU 120 7.393 -7.479 16.709 868 HD13 LEU 120 3HD1 LEU 120 8.935 -7.402 17.561 869 HD21 LEU 120 1HD2 LEU 120 9.274 -5.548 18.973 870 HD22 LEU 120 2HD2 LEU 120 8.900 -3.927 18.390 871 HD23 LEU 120 3HD2 LEU 120 10.048 -4.937 17.511 872 H ASP 121 H ASP 121 5.224 -3.184 14.454 873 HA ASP 121 HA ASP 121 6.837 -1.652 12.614 874 HB2 ASP 121 1HB ASP 121 4.191 -3.013 12.526 875 HB3 ASP 121 2HB ASP 121 4.461 -1.690 11.394 876 H LEU 122 H LEU 122 3.834 -1.133 14.442 877 HA LEU 122 HA LEU 122 3.388 1.507 13.569 878 HB2 LEU 122 1HB LEU 122 2.496 -0.065 15.959 879 HB3 LEU 122 2HB LEU 122 2.074 1.637 15.784 880 HG LEU 122 HG LEU 122 1.391 -0.415 13.693 881 HD11 LEU 122 1HD1 LEU 122 -0.620 0.543 15.667 882 HD12 LEU 122 2HD1 LEU 122 0.460 -0.774 16.122 883 HD13 LEU 122 3HD1 LEU 122 -0.588 -0.941 14.713 884 HD21 LEU 122 1HD2 LEU 122 1.140 1.663 12.731 885 HD22 LEU 122 2HD2 LEU 122 0.677 2.431 14.250 886 HD23 LEU 122 3HD2 LEU 122 -0.468 1.390 13.403 887 H GLN 123 H GLN 123 4.855 0.287 16.579 888 HA GLN 123 HA GLN 123 5.443 2.516 17.948 889 HB2 GLN 123 1HB GLN 123 7.115 0.080 17.432 890 HB3 GLN 123 2HB GLN 123 7.743 1.388 18.426 891 HG2 GLN 123 1HG GLN 123 5.779 1.165 19.901 892 HG3 GLN 123 2HG GLN 123 5.242 -0.207 18.933 893 HE21 GLN 123 1HE2 GLN 123 5.858 -0.203 21.723 894 HE22 GLN 123 2HE2 GLN 123 7.172 -1.299 21.958 895 H ARG 124 H ARG 124 6.808 1.628 14.876 896 HA ARG 124 HA ARG 124 8.950 3.528 14.942 897 HB2 ARG 124 1HB ARG 124 7.698 1.925 12.713 898 HB3 ARG 124 2HB ARG 124 9.040 3.032 12.456 899 HG2 ARG 124 1HG ARG 124 10.537 1.695 13.565 900 HG3 ARG 124 2HG ARG 124 9.287 0.924 14.544 901 HD2 ARG 124 1HD ARG 124 8.717 -0.560 12.891 902 HD3 ARG 124 2HD ARG 124 9.243 0.514 11.596 903 HE ARG 124 HE ARG 124 10.832 -1.433 12.985 904 HH11 ARG 124 2HH1 ARG 124 10.896 1.538 11.172 905 HH12 ARG 124 1HH1 ARG 124 12.535 1.336 10.648 906 HH21 ARG 124 2HH2 ARG 124 12.991 -1.711 12.301 907 HH22 ARG 124 1HH2 ARG 124 13.725 -0.513 11.290 908 H CYS 125 H CYS 125 5.736 3.423 13.444 909 HA CYS 125 HA CYS 125 5.815 5.784 12.007 910 HB2 CYS 125 1HB CYS 125 3.467 4.589 13.496 911 HB3 CYS 125 2HB CYS 125 3.350 5.825 12.249 912 HG CYS 125 HG CYS 125 2.972 4.091 10.403 913 H VAL 126 H VAL 126 5.035 5.289 15.424 914 HA VAL 126 HA VAL 126 4.310 7.948 16.005 915 HB VAL 126 HB VAL 126 5.508 5.892 17.868 916 HG11 VAL 126 1HG1 VAL 126 5.633 8.128 18.799 917 HG12 VAL 126 2HG1 VAL 126 3.926 8.396 18.441 918 HG13 VAL 126 3HG1 VAL 126 4.399 7.190 19.639 919 HG21 VAL 126 1HG2 VAL 126 3.324 5.168 18.358 920 HG22 VAL 126 2HG2 VAL 126 2.593 6.539 17.526 921 HG23 VAL 126 3HG2 VAL 126 3.391 5.269 16.599 922 H SER 127 H SER 127 7.416 6.267 16.088 923 HA SER 127 HA SER 127 8.890 8.360 17.286 924 HB2 SER 127 1HB SER 127 9.577 5.911 17.030 925 HB3 SER 127 2HB SER 127 10.031 6.320 15.376 926 HG SER 127 HG SER 127 11.014 7.666 17.671 927 H LEU 128 H LEU 128 8.368 7.446 13.897 928 HA LEU 128 HA LEU 128 9.965 9.565 12.848 929 HB2 LEU 128 1HB LEU 128 8.099 7.536 11.735 930 HB3 LEU 128 2HB LEU 128 8.494 8.937 10.742 931 HG LEU 128 HG LEU 128 10.724 7.358 11.930 932 HD11 LEU 128 1HD1 LEU 128 9.473 6.522 9.340 933 HD12 LEU 128 2HD1 LEU 128 8.980 5.800 10.871 934 HD13 LEU 128 3HD1 LEU 128 10.654 5.667 10.332 935 HD21 LEU 128 1HD2 LEU 128 10.636 9.547 10.349 936 HD22 LEU 128 2HD2 LEU 128 10.727 8.273 9.133 937 HD23 LEU 128 3HD2 LEU 128 11.974 8.399 10.375 938 H GLU 129 H GLU 129 6.603 9.194 13.711 939 HA GLU 129 HA GLU 129 6.156 12.004 12.949 940 HB2 GLU 129 1HB GLU 129 4.275 9.660 12.690 941 HB3 GLU 129 2HB GLU 129 3.733 11.331 12.616 942 HG2 GLU 129 1HG GLU 129 5.454 9.824 10.694 943 HG3 GLU 129 2HG GLU 129 3.967 10.721 10.392 944 HA PRO 130 HA PRO 130 5.507 11.698 17.476 945 HB2 PRO 130 1HB PRO 130 6.357 14.228 17.974 946 HB3 PRO 130 2HB PRO 130 7.462 12.857 17.813 947 HG2 PRO 130 1HG PRO 130 6.726 14.944 15.797 948 HG3 PRO 130 2HG PRO 130 8.320 14.265 16.173 949 HD2 PRO 130 1HD PRO 130 6.864 13.465 14.036 950 HD3 PRO 130 2HD PRO 130 7.949 12.369 14.915 951 H LYS 131 H LYS 131 4.203 13.562 14.953 952 HA LYS 131 HA LYS 131 2.279 14.895 16.720 953 HB2 LYS 131 1HB LYS 131 3.181 15.344 13.902 954 HB3 LYS 131 2HB LYS 131 1.594 15.919 14.397 955 HG2 LYS 131 1HG LYS 131 2.672 17.193 16.223 956 HG3 LYS 131 2HG LYS 131 4.245 16.686 15.602 957 HD2 LYS 131 1HD LYS 131 3.904 18.817 14.682 958 HD3 LYS 131 2HD LYS 131 3.494 17.700 13.378 959 HE2 LYS 131 1HE LYS 131 1.082 17.904 14.248 960 HE3 LYS 131 2HE LYS 131 1.665 19.324 15.115 961 HZ1 LYS 131 1HZ LYS 131 0.807 20.087 13.076 962 HZ2 LYS 131 2HZ LYS 131 1.601 18.888 12.186 963 HZ3 LYS 131 3HZ LYS 131 2.489 20.137 12.902 964 H ASN 132 H ASN 132 2.321 12.975 13.717 965 HA ASN 132 HA ASN 132 -0.337 12.565 13.308 966 HB2 ASN 132 1HB ASN 132 1.912 10.564 13.026 967 HB3 ASN 132 2HB ASN 132 0.293 10.316 12.379 968 HD21 ASN 132 1HD2 ASN 132 0.607 10.409 10.251 969 HD22 ASN 132 2HD2 ASN 132 1.315 11.741 9.409 970 H LYS 133 H LYS 133 -1.640 12.396 15.083 971 HA LYS 133 HA LYS 133 -1.126 10.617 17.249 972 HB2 LYS 133 1HB LYS 133 -2.654 12.777 17.059 973 HB3 LYS 133 2HB LYS 133 -3.887 11.587 16.664 974 HG2 LYS 133 1HG LYS 133 -3.864 10.661 18.760 975 HG3 LYS 133 2HG LYS 133 -2.202 11.161 19.081 976 HD2 LYS 133 1HD LYS 133 -3.375 12.616 20.426 977 HD3 LYS 133 2HD LYS 133 -3.216 13.570 18.949 978 HE2 LYS 133 1HE LYS 133 -5.474 13.759 19.686 979 HE3 LYS 133 2HE LYS 133 -5.466 12.721 18.261 980 HZ1 LYS 133 1HZ LYS 133 -5.977 12.024 21.063 981 HZ2 LYS 133 2HZ LYS 133 -5.287 10.855 20.055 982 HZ3 LYS 133 3HZ LYS 133 -6.790 11.527 19.666 983 H VAL 134 H VAL 134 -2.522 10.245 14.143 984 HA VAL 134 HA VAL 134 -4.330 8.155 14.568 985 HB VAL 134 HB VAL 134 -4.133 7.643 12.232 986 HG11 VAL 134 1HG1 VAL 134 -3.880 10.574 12.856 987 HG12 VAL 134 2HG1 VAL 134 -4.271 9.969 11.245 988 HG13 VAL 134 3HG1 VAL 134 -5.350 9.635 12.600 989 HG21 VAL 134 1HG2 VAL 134 -2.282 9.052 10.979 990 HG22 VAL 134 2HG2 VAL 134 -1.458 8.909 12.532 991 HG23 VAL 134 3HG2 VAL 134 -1.930 7.458 11.647 992 H PHE 135 H PHE 135 -0.893 8.204 14.680 993 HA PHE 135 HA PHE 135 -0.636 5.329 14.344 994 HB2 PHE 135 1HB PHE 135 1.485 7.350 15.093 995 HB3 PHE 135 2HB PHE 135 1.753 5.696 14.554 996 HD1 PHE 135 1HD PHE 135 -0.459 5.834 12.382 997 HD2 PHE 135 2HD PHE 135 2.834 8.341 13.378 998 HE1 PHE 135 1HE PHE 135 -0.349 6.612 10.050 999 HE2 PHE 135 2HE PHE 135 2.948 9.123 11.049 1000 HZ PHE 135 HZ PHE 135 1.354 8.259 9.381 1001 H GLN 136 H GLN 136 -0.166 7.750 16.896 1002 HA GLN 136 HA GLN 136 0.649 5.998 18.921 1003 HB2 GLN 136 1HB GLN 136 -0.816 8.634 19.076 1004 HB3 GLN 136 2HB GLN 136 -0.172 7.791 20.479 1005 HG2 GLN 136 1HG GLN 136 2.073 7.993 19.621 1006 HG3 GLN 136 2HG GLN 136 1.469 8.730 18.138 1007 HE21 GLN 136 1HE2 GLN 136 0.776 10.852 18.163 1008 HE22 GLN 136 2HE2 GLN 136 1.106 11.924 19.477 1009 H GLU 137 H GLU 137 -2.482 6.658 17.590 1010 HA GLU 137 HA GLU 137 -3.902 5.434 19.800 1011 HB2 GLU 137 1HB GLU 137 -5.846 6.175 18.810 1012 HB3 GLU 137 2HB GLU 137 -4.698 7.362 18.209 1013 HG2 GLU 137 1HG GLU 137 -4.562 6.262 16.093 1014 HG3 GLU 137 2HG GLU 137 -5.520 4.905 16.683 1015 H ALA 138 H ALA 138 -2.829 4.599 16.569 1016 HA ALA 138 HA ALA 138 -4.318 2.207 16.296 1017 HB1 ALA 138 1HB ALA 138 -1.663 2.525 14.981 1018 HB2 ALA 138 2HB ALA 138 -3.170 1.874 14.337 1019 HB3 ALA 138 3HB ALA 138 -2.978 3.615 14.539 1020 H LEU 139 H LEU 139 -1.672 3.005 18.255 1021 HA LEU 139 HA LEU 139 -0.512 0.368 18.362 1022 HB2 LEU 139 1HB LEU 139 0.559 2.726 18.824 1023 HB3 LEU 139 2HB LEU 139 -0.031 2.431 20.458 1024 HG LEU 139 HG LEU 139 2.286 1.799 20.314 1025 HD11 LEU 139 1HD1 LEU 139 2.072 -0.112 21.492 1026 HD12 LEU 139 2HD1 LEU 139 1.074 -0.888 20.264 1027 HD13 LEU 139 3HD1 LEU 139 0.354 0.271 21.381 1028 HD21 LEU 139 1HD2 LEU 139 3.213 0.409 18.719 1029 HD22 LEU 139 2HD2 LEU 139 2.043 1.328 17.771 1030 HD23 LEU 139 3HD2 LEU 139 1.661 -0.313 18.293 1031 H ARG 140 H ARG 140 -2.180 2.421 20.761 1032 HA ARG 140 HA ARG 140 -2.528 0.358 22.651 1033 HB2 ARG 140 1HB ARG 140 -4.070 2.932 22.279 1034 HB3 ARG 140 2HB ARG 140 -4.179 1.893 23.693 1035 HG2 ARG 140 1HG ARG 140 -2.010 2.405 24.384 1036 HG3 ARG 140 2HG ARG 140 -1.559 3.037 22.800 1037 HD2 ARG 140 1HD ARG 140 -3.076 4.925 23.116 1038 HD3 ARG 140 2HD ARG 140 -3.552 4.285 24.689 1039 HE ARG 140 HE ARG 140 -0.757 4.619 24.613 1040 HH11 ARG 140 2HH1 ARG 140 -3.700 6.474 24.733 1041 HH12 ARG 140 1HH1 ARG 140 -2.976 7.815 25.558 1042 HH21 ARG 140 2HH2 ARG 140 0.209 6.378 25.699 1043 HH22 ARG 140 1HH2 ARG 140 -0.752 7.759 26.106 1044 H ASN 141 H ASN 141 -3.992 0.839 19.677 1045 HA ASN 141 HA ASN 141 -6.586 -0.228 20.357 1046 HB2 ASN 141 1HB ASN 141 -5.242 0.528 17.770 1047 HB3 ASN 141 2HB ASN 141 -6.791 -0.312 17.787 1048 HD21 ASN 141 1HD2 ASN 141 -7.199 1.811 16.595 1049 HD22 ASN 141 2HD2 ASN 141 -7.796 3.113 17.560 1050 H ILE 142 H ILE 142 -3.513 -1.486 19.605 1051 HA ILE 142 HA ILE 142 -4.693 -4.146 19.128 1052 HB ILE 142 HB ILE 142 -2.999 -4.735 17.654 1053 HG12 ILE 142 1HG1 ILE 142 -1.419 -2.346 18.631 1054 HG13 ILE 142 2HG1 ILE 142 -1.112 -4.027 19.053 1055 HG21 ILE 142 1HG2 ILE 142 -3.042 -1.839 16.944 1056 HG22 ILE 142 2HG2 ILE 142 -3.217 -3.255 15.909 1057 HG23 ILE 142 3HG2 ILE 142 -4.550 -2.752 16.948 1058 HD11 ILE 142 1HD1 ILE 142 0.170 -2.708 17.100 1059 HD12 ILE 142 2HD1 ILE 142 -0.069 -4.456 17.111 1060 HD13 ILE 142 3HD1 ILE 142 -1.150 -3.423 16.176 1061 H SER 143 H SER 143 -2.371 -2.236 20.873 1062 HA SER 143 HA SER 143 -0.950 -4.407 22.050 1063 HB2 SER 143 1HB SER 143 -0.094 -2.044 21.850 1064 HB3 SER 143 2HB SER 143 -1.212 -1.597 23.139 1065 HG SER 143 HG SER 143 0.621 -2.068 24.197 1066 H GLY 144 H GLY 144 -3.829 -2.598 22.889 1067 HA2 GLY 144 1HA GLY 144 -4.039 -3.431 25.585 1068 HA3 GLY 144 2HA GLY 144 -5.359 -2.842 24.585 1069 HA PRO 145 HA PRO 145 -5.376 -7.603 25.299 1070 HB2 PRO 145 1HB PRO 145 -6.831 -7.779 27.584 1071 HB3 PRO 145 2HB PRO 145 -5.065 -7.711 27.573 1072 HG2 PRO 145 1HG PRO 145 -7.042 -5.521 28.079 1073 HG3 PRO 145 2HG PRO 145 -5.533 -5.886 28.935 1074 HD2 PRO 145 1HD PRO 145 -5.716 -3.926 27.076 1075 HD3 PRO 145 2HD PRO 145 -4.230 -4.861 27.334 1076 H SER 146 H SER 146 -6.866 -8.310 23.915 1077 HA SER 146 HA SER 146 -9.153 -7.058 23.096 1078 HB2 SER 146 1HB SER 146 -8.056 -9.126 22.096 1079 HB3 SER 146 2HB SER 146 -8.951 -10.065 23.290 1080 HG SER 146 HG SER 146 -10.280 -10.026 21.577 1081 H SER 147 H SER 147 -8.875 -9.474 25.683 1082 HA SER 147 HA SER 147 -11.635 -9.483 26.336 1083 HB2 SER 147 1HB SER 147 -10.188 -11.346 26.960 1084 HB3 SER 147 2HB SER 147 -9.230 -10.285 27.993 1085 HG SER 147 HG SER 147 -11.147 -11.671 28.838 1086 H GLY 148 H GLY 148 -12.708 -7.782 27.088 1087 HA2 GLY 148 1HA GLY 148 -11.653 -6.348 29.395 1088 HA3 GLY 148 2HA GLY 148 -11.933 -5.387 27.950 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -28.365 -32.183 -25.973 2 HA2 GLY 1 1HA GLY 1 -27.085 -31.548 -23.620 3 HA3 GLY 1 2HA GLY 1 -26.744 -33.253 -23.877 4 H SER 2 H SER 2 -25.174 -30.596 -24.031 5 HA SER 2 HA SER 2 -23.840 -31.238 -26.576 6 HB2 SER 2 1HB SER 2 -24.297 -28.476 -25.422 7 HB3 SER 2 2HB SER 2 -23.336 -28.831 -26.858 8 HG SER 2 HG SER 2 -25.616 -28.189 -27.177 9 H SER 3 H SER 3 -21.588 -30.049 -26.577 10 HA SER 3 HA SER 3 -20.323 -29.946 -23.977 11 HB2 SER 3 1HB SER 3 -20.413 -32.413 -24.866 12 HB3 SER 3 2HB SER 3 -19.104 -31.878 -25.919 13 HG SER 3 HG SER 3 -17.801 -31.907 -24.274 14 H GLY 4 H GLY 4 -17.827 -29.666 -24.349 15 HA2 GLY 4 1HA GLY 4 -17.000 -28.518 -26.829 16 HA3 GLY 4 2HA GLY 4 -17.392 -27.274 -25.651 17 H SER 5 H SER 5 -15.005 -26.894 -26.207 18 HA SER 5 HA SER 5 -13.460 -27.795 -23.965 19 HB2 SER 5 1HB SER 5 -13.273 -29.635 -25.770 20 HB3 SER 5 2HB SER 5 -12.289 -28.471 -26.657 21 HG SER 5 HG SER 5 -11.012 -29.830 -25.338 22 H SER 6 H SER 6 -11.061 -26.977 -24.324 23 HA SER 6 HA SER 6 -10.762 -24.672 -25.993 24 HB2 SER 6 1HB SER 6 -10.535 -23.024 -24.155 25 HB3 SER 6 2HB SER 6 -12.173 -23.667 -24.272 26 HG SER 6 HG SER 6 -10.176 -24.241 -22.364 27 H GLY 7 H GLY 7 -8.687 -23.422 -25.258 28 HA2 GLY 7 1HA GLY 7 -6.724 -25.419 -24.313 29 HA3 GLY 7 2HA GLY 7 -6.399 -24.349 -25.668 30 H MET 8 H MET 8 -4.537 -23.558 -24.598 31 HA MET 8 HA MET 8 -5.162 -21.446 -22.682 32 HB2 MET 8 1HB MET 8 -3.369 -23.779 -22.178 33 HB3 MET 8 2HB MET 8 -2.907 -22.213 -21.524 34 HG2 MET 8 1HG MET 8 -5.532 -23.595 -21.015 35 HG3 MET 8 2HG MET 8 -4.150 -23.596 -19.921 36 HE1 MET 8 1HE MET 8 -7.451 -21.549 -19.057 37 HE2 MET 8 2HE MET 8 -6.681 -23.135 -19.018 38 HE3 MET 8 3HE MET 8 -6.234 -21.909 -17.832 39 H THR 9 H THR 9 -3.069 -20.118 -22.266 40 HA THR 9 HA THR 9 -1.880 -19.598 -24.896 41 HB THR 9 HB THR 9 -1.312 -17.387 -24.062 42 HG1 THR 9 1HG THR 9 -2.200 -18.479 -21.609 43 HG21 THR 9 1HG2 THR 9 -3.726 -18.082 -24.807 44 HG22 THR 9 2HG2 THR 9 -3.436 -16.484 -24.120 45 HG23 THR 9 3HG2 THR 9 -4.122 -17.762 -23.119 46 H VAL 10 H VAL 10 -0.983 -19.939 -21.477 47 HA VAL 10 HA VAL 10 1.056 -20.236 -20.469 48 HB VAL 10 HB VAL 10 1.580 -22.087 -22.790 49 HG11 VAL 10 1HG1 VAL 10 2.757 -21.641 -20.151 50 HG12 VAL 10 2HG1 VAL 10 2.379 -23.331 -20.492 51 HG13 VAL 10 3HG1 VAL 10 3.433 -22.425 -21.578 52 HG21 VAL 10 1HG2 VAL 10 0.432 -23.787 -21.239 53 HG22 VAL 10 2HG2 VAL 10 -0.299 -22.379 -20.470 54 HG23 VAL 10 3HG2 VAL 10 -0.588 -22.698 -22.180 55 H SER 11 H SER 11 1.113 -17.944 -22.012 56 HA SER 11 HA SER 11 3.849 -18.007 -23.105 57 HB2 SER 11 1HB SER 11 2.131 -17.642 -24.864 58 HB3 SER 11 2HB SER 11 1.590 -16.202 -24.003 59 HG SER 11 HG SER 11 3.056 -15.245 -25.166 60 H GLY 12 H GLY 12 5.274 -16.737 -22.111 61 HA2 GLY 12 1HA GLY 12 4.323 -14.335 -20.717 62 HA3 GLY 12 2HA GLY 12 5.229 -15.529 -19.800 63 HA PRO 13 HA PRO 13 7.952 -12.518 -22.402 64 HB2 PRO 13 1HB PRO 13 8.225 -10.423 -20.697 65 HB3 PRO 13 2HB PRO 13 6.973 -10.491 -21.942 66 HG2 PRO 13 1HG PRO 13 6.772 -11.103 -19.019 67 HG3 PRO 13 2HG PRO 13 5.650 -10.199 -20.052 68 HD2 PRO 13 1HD PRO 13 5.227 -12.780 -19.351 69 HD3 PRO 13 2HD PRO 13 4.699 -12.115 -20.910 70 H GLY 14 H GLY 14 10.133 -11.637 -21.640 71 HA2 GLY 14 1HA GLY 14 11.503 -11.848 -19.417 72 HA3 GLY 14 2HA GLY 14 11.226 -13.558 -19.715 73 H THR 15 H THR 15 12.290 -10.701 -21.569 74 HA THR 15 HA THR 15 14.695 -12.160 -22.355 75 HB THR 15 HB THR 15 14.367 -11.368 -24.745 76 HG1 THR 15 1HG THR 15 12.293 -10.821 -25.364 77 HG21 THR 15 1HG2 THR 15 13.706 -13.454 -25.234 78 HG22 THR 15 2HG2 THR 15 12.169 -13.254 -24.392 79 HG23 THR 15 3HG2 THR 15 13.616 -13.702 -23.490 80 HA PRO 16 HA PRO 16 16.660 -8.261 -21.876 81 HB2 PRO 16 1HB PRO 16 18.702 -8.485 -23.651 82 HB3 PRO 16 2HB PRO 16 18.655 -9.373 -22.124 83 HG2 PRO 16 1HG PRO 16 17.945 -10.304 -24.879 84 HG3 PRO 16 2HG PRO 16 18.864 -11.144 -23.616 85 HD2 PRO 16 1HD PRO 16 16.256 -11.672 -24.113 86 HD3 PRO 16 2HD PRO 16 16.963 -11.797 -22.489 87 H GLU 17 H GLU 17 15.349 -6.634 -22.587 88 HA GLU 17 HA GLU 17 15.702 -5.812 -25.382 89 HB2 GLU 17 1HB GLU 17 13.131 -6.284 -23.929 90 HB3 GLU 17 2HB GLU 17 13.209 -4.997 -25.124 91 HG2 GLU 17 1HG GLU 17 14.132 -7.753 -25.812 92 HG3 GLU 17 2HG GLU 17 12.417 -7.349 -25.834 93 HA PRO 18 HA PRO 18 16.426 -1.784 -23.803 94 HB2 PRO 18 1HB PRO 18 15.337 -0.218 -25.736 95 HB3 PRO 18 2HB PRO 18 16.837 -1.125 -25.965 96 HG2 PRO 18 1HG PRO 18 14.057 -1.809 -26.841 97 HG3 PRO 18 2HG PRO 18 15.582 -1.963 -27.734 98 HD2 PRO 18 1HD PRO 18 14.383 -4.068 -26.524 99 HD3 PRO 18 2HD PRO 18 16.146 -3.933 -26.679 100 H ARG 19 H ARG 19 15.146 0.489 -23.730 101 HA ARG 19 HA ARG 19 12.594 -0.124 -22.402 102 HB2 ARG 19 1HB ARG 19 14.503 2.185 -22.005 103 HB3 ARG 19 2HB ARG 19 12.950 2.027 -21.196 104 HG2 ARG 19 1HG ARG 19 13.670 0.298 -19.857 105 HG3 ARG 19 2HG ARG 19 14.956 -0.168 -20.972 106 HD2 ARG 19 1HD ARG 19 15.942 0.855 -19.034 107 HD3 ARG 19 2HD ARG 19 16.136 1.939 -20.411 108 HE ARG 19 HE ARG 19 13.892 2.875 -19.305 109 HH11 ARG 19 2HH1 ARG 19 16.959 2.009 -17.904 110 HH12 ARG 19 1HH1 ARG 19 16.845 3.164 -16.618 111 HH21 ARG 19 2HH2 ARG 19 13.730 4.399 -17.615 112 HH22 ARG 19 1HH2 ARG 19 15.008 4.522 -16.454 113 HA PRO 20 HA PRO 20 11.355 2.179 -26.198 114 HB2 PRO 20 1HB PRO 20 9.064 0.769 -26.564 115 HB3 PRO 20 2HB PRO 20 10.634 0.226 -27.170 116 HG2 PRO 20 1HG PRO 20 9.163 -0.612 -24.701 117 HG3 PRO 20 2HG PRO 20 10.042 -1.611 -25.873 118 HD2 PRO 20 1HD PRO 20 11.105 -0.887 -23.491 119 HD3 PRO 20 2HD PRO 20 12.094 -1.116 -24.947 120 H ALA 21 H ALA 21 8.784 2.759 -26.615 121 HA ALA 21 HA ALA 21 7.400 3.488 -24.200 122 HB1 ALA 21 1HB ALA 21 7.434 5.967 -24.861 123 HB2 ALA 21 2HB ALA 21 8.857 5.305 -24.054 124 HB3 ALA 21 3HB ALA 21 8.870 5.555 -25.800 125 H THR 22 H THR 22 5.536 5.117 -24.875 126 HA THR 22 HA THR 22 4.561 4.565 -27.568 127 HB THR 22 HB THR 22 3.010 3.800 -25.087 128 HG1 THR 22 1HG THR 22 3.051 1.751 -26.520 129 HG21 THR 22 1HG2 THR 22 1.448 2.896 -27.005 130 HG22 THR 22 2HG2 THR 22 2.201 4.194 -27.932 131 HG23 THR 22 3HG2 THR 22 1.321 4.565 -26.449 132 HA PRO 23 HA PRO 23 3.398 8.815 -26.962 133 HB2 PRO 23 1HB PRO 23 2.244 9.151 -29.396 134 HB3 PRO 23 2HB PRO 23 3.995 9.126 -29.159 135 HG2 PRO 23 1HG PRO 23 2.180 6.939 -30.098 136 HG3 PRO 23 2HG PRO 23 3.773 7.414 -30.716 137 HD2 PRO 23 1HD PRO 23 3.423 5.297 -29.064 138 HD3 PRO 23 2HD PRO 23 4.895 6.289 -29.046 139 H GLY 24 H GLY 24 1.819 8.268 -25.315 140 HA2 GLY 24 1HA GLY 24 -0.882 8.753 -26.247 141 HA3 GLY 24 2HA GLY 24 -0.640 7.186 -25.489 142 H ALA 25 H ALA 25 -2.229 7.941 -23.930 143 HA ALA 25 HA ALA 25 -1.248 9.969 -22.056 144 HB1 ALA 25 1HB ALA 25 -3.817 8.893 -21.353 145 HB2 ALA 25 2HB ALA 25 -3.378 10.542 -21.799 146 HB3 ALA 25 3HB ALA 25 -3.797 9.372 -23.051 147 H SER 26 H SER 26 0.170 7.578 -22.042 148 HA SER 26 HA SER 26 -0.626 6.446 -19.441 149 HB2 SER 26 1HB SER 26 0.659 4.974 -21.755 150 HB3 SER 26 2HB SER 26 0.332 4.286 -20.165 151 HG SER 26 HG SER 26 -1.942 5.218 -20.832 152 H SER 27 H SER 27 0.735 7.484 -18.094 153 HA SER 27 HA SER 27 3.575 6.925 -18.373 154 HB2 SER 27 1HB SER 27 2.501 9.746 -18.139 155 HB3 SER 27 2HB SER 27 4.197 9.298 -17.961 156 HG SER 27 HG SER 27 3.882 8.331 -20.155 157 H VAL 28 H VAL 28 4.377 6.327 -16.473 158 HA VAL 28 HA VAL 28 3.014 5.915 -14.175 159 HB VAL 28 HB VAL 28 5.238 5.053 -14.399 160 HG11 VAL 28 1HG1 VAL 28 6.969 6.247 -15.121 161 HG12 VAL 28 2HG1 VAL 28 5.875 7.621 -15.288 162 HG13 VAL 28 3HG1 VAL 28 6.796 7.401 -13.799 163 HG21 VAL 28 1HG2 VAL 28 4.824 6.919 -12.088 164 HG22 VAL 28 2HG2 VAL 28 4.667 5.163 -12.137 165 HG23 VAL 28 3HG2 VAL 28 6.264 5.908 -12.203 166 H GLU 29 H GLU 29 4.488 8.941 -15.192 167 HA GLU 29 HA GLU 29 4.117 10.302 -12.720 168 HB2 GLU 29 1HB GLU 29 5.730 10.951 -14.555 169 HB3 GLU 29 2HB GLU 29 4.347 11.555 -15.456 170 HG2 GLU 29 1HG GLU 29 4.050 13.347 -14.082 171 HG3 GLU 29 2HG GLU 29 4.737 12.528 -12.680 172 H GLN 30 H GLN 30 2.322 10.322 -15.791 173 HA GLN 30 HA GLN 30 0.228 11.968 -14.681 174 HB2 GLN 30 1HB GLN 30 0.348 12.454 -16.902 175 HB3 GLN 30 2HB GLN 30 0.895 10.840 -17.335 176 HG2 GLN 30 1HG GLN 30 -1.890 11.086 -16.387 177 HG3 GLN 30 2HG GLN 30 -1.517 11.786 -17.961 178 HE21 GLN 30 1HE2 GLN 30 -3.262 9.643 -17.604 179 HE22 GLN 30 2HE2 GLN 30 -2.577 8.243 -18.347 180 H LEU 31 H LEU 31 0.079 8.790 -16.293 181 HA LEU 31 HA LEU 31 -2.355 7.912 -15.664 182 HB2 LEU 31 1HB LEU 31 -1.626 5.779 -15.995 183 HB3 LEU 31 2HB LEU 31 -0.259 6.677 -16.650 184 HG LEU 31 HG LEU 31 0.726 6.391 -14.254 185 HD11 LEU 31 1HD1 LEU 31 -0.129 4.807 -12.880 186 HD12 LEU 31 2HD1 LEU 31 -0.769 3.839 -14.207 187 HD13 LEU 31 3HD1 LEU 31 -1.630 5.283 -13.675 188 HD21 LEU 31 1HD2 LEU 31 1.567 5.396 -16.379 189 HD22 LEU 31 2HD2 LEU 31 0.537 3.997 -16.075 190 HD23 LEU 31 3HD2 LEU 31 1.841 4.393 -14.954 191 H ARG 32 H ARG 32 0.260 8.301 -13.368 192 HA ARG 32 HA ARG 32 -0.410 6.907 -11.183 193 HB2 ARG 32 1HB ARG 32 1.275 8.910 -11.534 194 HB3 ARG 32 2HB ARG 32 -0.001 9.835 -10.754 195 HG2 ARG 32 1HG ARG 32 0.270 8.781 -8.742 196 HG3 ARG 32 2HG ARG 32 0.914 7.311 -9.475 197 HD2 ARG 32 1HD ARG 32 2.836 8.166 -8.594 198 HD3 ARG 32 2HD ARG 32 2.869 8.944 -10.175 199 HE ARG 32 HE ARG 32 2.488 10.973 -9.161 200 HH11 ARG 32 2HH1 ARG 32 1.995 8.398 -6.871 201 HH12 ARG 32 1HH1 ARG 32 1.896 9.457 -5.503 202 HH21 ARG 32 2HH2 ARG 32 2.358 12.378 -7.368 203 HH22 ARG 32 1HH2 ARG 32 2.101 11.721 -5.788 204 H LYS 33 H LYS 33 -1.977 9.980 -12.068 205 HA LYS 33 HA LYS 33 -3.786 10.164 -9.986 206 HB2 LYS 33 1HB LYS 33 -3.945 11.036 -12.862 207 HB3 LYS 33 2HB LYS 33 -5.258 11.354 -11.735 208 HG2 LYS 33 1HG LYS 33 -2.421 12.220 -11.246 209 HG3 LYS 33 2HG LYS 33 -3.622 13.227 -12.058 210 HD2 LYS 33 1HD LYS 33 -4.164 12.028 -9.362 211 HD3 LYS 33 2HD LYS 33 -3.270 13.541 -9.526 212 HE2 LYS 33 1HE LYS 33 -5.907 13.175 -10.894 213 HE3 LYS 33 2HE LYS 33 -5.840 13.609 -9.187 214 HZ1 LYS 33 1HZ LYS 33 -5.781 15.682 -10.008 215 HZ2 LYS 33 2HZ LYS 33 -5.211 15.200 -11.526 216 HZ3 LYS 33 3HZ LYS 33 -4.133 15.370 -10.234 217 H GLU 34 H GLU 34 -4.182 8.488 -13.095 218 HA GLU 34 HA GLU 34 -6.750 7.664 -13.038 219 HB2 GLU 34 1HB GLU 34 -5.173 7.028 -14.802 220 HB3 GLU 34 2HB GLU 34 -4.373 5.917 -13.699 221 HG2 GLU 34 1HG GLU 34 -5.718 4.514 -14.929 222 HG3 GLU 34 2HG GLU 34 -6.698 4.813 -13.495 223 H GLY 35 H GLY 35 -4.122 6.329 -11.092 224 HA2 GLY 35 1HA GLY 35 -5.631 4.198 -9.971 225 HA3 GLY 35 2HA GLY 35 -4.125 4.843 -9.337 226 H ASN 36 H ASN 36 -4.528 7.233 -8.451 227 HA ASN 36 HA ASN 36 -5.974 6.970 -6.095 228 HB2 ASN 36 1HB ASN 36 -4.969 9.385 -7.589 229 HB3 ASN 36 2HB ASN 36 -5.833 9.542 -6.062 230 HD21 ASN 36 1HD2 ASN 36 -3.063 7.956 -7.569 231 HD22 ASN 36 2HD2 ASN 36 -2.077 7.938 -6.150 232 H GLU 37 H GLU 37 -6.862 8.917 -8.952 233 HA GLU 37 HA GLU 37 -9.275 9.893 -8.265 234 HB2 GLU 37 1HB GLU 37 -8.565 8.591 -10.898 235 HB3 GLU 37 2HB GLU 37 -9.977 9.607 -10.645 236 HG2 GLU 37 1HG GLU 37 -7.135 10.506 -10.240 237 HG3 GLU 37 2HG GLU 37 -8.078 10.780 -11.704 238 H LEU 38 H LEU 38 -8.598 6.547 -9.131 239 HA LEU 38 HA LEU 38 -11.369 5.762 -8.974 240 HB2 LEU 38 1HB LEU 38 -8.823 4.172 -9.221 241 HB3 LEU 38 2HB LEU 38 -10.434 3.458 -9.212 242 HG LEU 38 HG LEU 38 -9.652 5.513 -11.255 243 HD11 LEU 38 1HD1 LEU 38 -9.547 2.833 -12.273 244 HD12 LEU 38 2HD1 LEU 38 -8.391 3.030 -10.955 245 HD13 LEU 38 3HD1 LEU 38 -8.331 4.109 -12.349 246 HD21 LEU 38 1HD2 LEU 38 -11.791 5.224 -11.792 247 HD22 LEU 38 2HD2 LEU 38 -11.959 3.866 -10.679 248 HD23 LEU 38 3HD2 LEU 38 -11.359 3.596 -12.317 249 H PHE 39 H PHE 39 -8.553 5.727 -6.897 250 HA PHE 39 HA PHE 39 -9.595 3.975 -4.924 251 HB2 PHE 39 1HB PHE 39 -7.158 4.662 -5.270 252 HB3 PHE 39 2HB PHE 39 -7.568 6.151 -4.424 253 HD1 PHE 39 1HD PHE 39 -7.412 2.475 -4.083 254 HD2 PHE 39 2HD PHE 39 -7.706 6.218 -2.079 255 HE1 PHE 39 1HE PHE 39 -7.029 1.348 -1.929 256 HE2 PHE 39 2HE PHE 39 -7.322 5.099 0.077 257 HZ PHE 39 HZ PHE 39 -6.982 2.661 0.155 258 H LYS 40 H LYS 40 -9.311 7.526 -5.019 259 HA LYS 40 HA LYS 40 -10.703 7.984 -2.612 260 HB2 LYS 40 1HB LYS 40 -10.941 10.316 -3.464 261 HB3 LYS 40 2HB LYS 40 -9.293 9.706 -3.521 262 HG2 LYS 40 1HG LYS 40 -9.822 9.095 -5.960 263 HG3 LYS 40 2HG LYS 40 -11.199 10.184 -5.778 264 HD2 LYS 40 1HD LYS 40 -8.432 11.063 -5.029 265 HD3 LYS 40 2HD LYS 40 -8.980 11.128 -6.706 266 HE2 LYS 40 1HE LYS 40 -9.600 13.215 -6.034 267 HE3 LYS 40 2HE LYS 40 -11.060 12.331 -5.593 268 HZ1 LYS 40 1HZ LYS 40 -10.076 13.887 -3.869 269 HZ2 LYS 40 2HZ LYS 40 -8.851 12.737 -3.670 270 HZ3 LYS 40 3HZ LYS 40 -10.460 12.322 -3.352 271 H CYS 41 H CYS 41 -11.827 6.747 -5.476 272 HA CYS 41 HA CYS 41 -14.522 7.860 -5.119 273 HB2 CYS 41 1HB CYS 41 -13.112 6.594 -7.448 274 HB3 CYS 41 2HB CYS 41 -14.870 6.631 -7.390 275 HG CYS 41 HG CYS 41 -13.226 8.782 -8.830 276 H GLY 42 H GLY 42 -12.633 5.008 -4.764 277 HA2 GLY 42 1HA GLY 42 -13.595 3.333 -3.234 278 HA3 GLY 42 2HA GLY 42 -15.093 3.493 -4.139 279 H ASP 43 H ASP 43 -13.817 3.548 -6.736 280 HA ASP 43 HA ASP 43 -13.856 0.831 -7.358 281 HB2 ASP 43 1HB ASP 43 -14.109 2.851 -8.922 282 HB3 ASP 43 2HB ASP 43 -12.349 2.872 -8.984 283 H TYR 44 H TYR 44 -12.509 -0.486 -6.234 284 HA TYR 44 HA TYR 44 -9.698 0.168 -5.953 285 HB2 TYR 44 1HB TYR 44 -11.092 -2.380 -5.125 286 HB3 TYR 44 2HB TYR 44 -9.549 -1.765 -4.542 287 HD1 TYR 44 1HD TYR 44 -9.902 0.874 -3.705 288 HD2 TYR 44 2HD TYR 44 -12.748 -2.285 -3.533 289 HE1 TYR 44 1HE TYR 44 -11.052 2.018 -1.857 290 HE2 TYR 44 2HE TYR 44 -13.907 -1.148 -1.685 291 HH TYR 44 HH TYR 44 -13.287 2.075 -0.832 292 H GLY 45 H GLY 45 -11.666 -2.346 -7.518 293 HA2 GLY 45 1HA GLY 45 -9.743 -3.971 -8.583 294 HA3 GLY 45 2HA GLY 45 -11.244 -3.586 -9.413 295 H GLY 46 H GLY 46 -10.673 -0.771 -9.727 296 HA2 GLY 46 1HA GLY 46 -8.971 -0.991 -12.069 297 HA3 GLY 46 2HA GLY 46 -9.939 0.401 -11.608 298 H ALA 47 H ALA 47 -9.087 1.164 -9.228 299 HA ALA 47 HA ALA 47 -6.920 2.707 -9.538 300 HB1 ALA 47 1HB ALA 47 -8.469 1.961 -7.378 301 HB2 ALA 47 2HB ALA 47 -6.830 1.536 -6.883 302 HB3 ALA 47 3HB ALA 47 -7.201 3.187 -7.381 303 H LEU 48 H LEU 48 -6.725 -0.576 -8.153 304 HA LEU 48 HA LEU 48 -4.004 -0.767 -7.822 305 HB2 LEU 48 1HB LEU 48 -5.647 -2.460 -7.111 306 HB3 LEU 48 2HB LEU 48 -5.841 -2.952 -8.791 307 HG LEU 48 HG LEU 48 -4.400 -4.444 -7.363 308 HD11 LEU 48 1HD1 LEU 48 -4.117 -3.608 -10.028 309 HD12 LEU 48 2HD1 LEU 48 -3.578 -5.123 -9.305 310 HD13 LEU 48 3HD1 LEU 48 -2.485 -3.741 -9.372 311 HD21 LEU 48 1HD2 LEU 48 -2.357 -3.780 -6.561 312 HD22 LEU 48 2HD2 LEU 48 -3.287 -2.297 -6.344 313 HD23 LEU 48 3HD2 LEU 48 -2.202 -2.465 -7.725 314 H ALA 49 H ALA 49 -5.807 -1.859 -10.703 315 HA ALA 49 HA ALA 49 -3.781 -2.649 -12.329 316 HB1 ALA 49 1HB ALA 49 -5.814 -2.930 -13.324 317 HB2 ALA 49 2HB ALA 49 -6.390 -1.328 -12.860 318 HB3 ALA 49 3HB ALA 49 -5.254 -1.504 -14.198 319 H ALA 50 H ALA 50 -4.954 0.706 -12.049 320 HA ALA 50 HA ALA 50 -3.208 1.923 -13.811 321 HB1 ALA 50 1HB ALA 50 -5.150 2.989 -12.642 322 HB2 ALA 50 2HB ALA 50 -4.121 3.149 -11.217 323 HB3 ALA 50 3HB ALA 50 -3.692 3.980 -12.713 324 H TYR 51 H TYR 51 -2.735 1.267 -10.352 325 HA TYR 51 HA TYR 51 -0.234 2.482 -10.075 326 HB2 TYR 51 1HB TYR 51 -1.507 0.171 -8.611 327 HB3 TYR 51 2HB TYR 51 0.050 0.848 -8.146 328 HD1 TYR 51 1HD TYR 51 -0.390 3.725 -8.494 329 HD2 TYR 51 2HD TYR 51 -2.976 0.745 -6.903 330 HE1 TYR 51 1HE TYR 51 -1.533 5.441 -7.153 331 HE2 TYR 51 2HE TYR 51 -4.126 2.453 -5.558 332 HH TYR 51 HH TYR 51 -4.392 5.208 -5.918 333 H THR 52 H THR 52 -1.071 -0.864 -10.909 334 HA THR 52 HA THR 52 1.376 -2.066 -10.962 335 HB THR 52 HB THR 52 -0.794 -2.409 -13.041 336 HG1 THR 52 1HG THR 52 -1.136 -2.776 -10.608 337 HG21 THR 52 1HG2 THR 52 0.169 -4.518 -13.558 338 HG22 THR 52 2HG2 THR 52 1.298 -4.412 -12.206 339 HG23 THR 52 3HG2 THR 52 1.489 -3.349 -13.601 340 H GLN 53 H GLN 53 -0.089 -0.376 -13.745 341 HA GLN 53 HA GLN 53 2.024 -0.565 -15.506 342 HB2 GLN 53 1HB GLN 53 0.352 1.927 -15.286 343 HB3 GLN 53 2HB GLN 53 1.037 1.197 -16.732 344 HG2 GLN 53 1HG GLN 53 -0.516 -0.810 -16.062 345 HG3 GLN 53 2HG GLN 53 -1.395 0.450 -15.197 346 HE21 GLN 53 1HE2 GLN 53 -2.064 2.331 -16.457 347 HE22 GLN 53 2HE2 GLN 53 -2.499 2.110 -18.114 348 H ALA 54 H ALA 54 1.328 2.304 -13.499 349 HA ALA 54 HA ALA 54 3.478 3.851 -13.941 350 HB1 ALA 54 1HB ALA 54 2.621 4.985 -12.240 351 HB2 ALA 54 2HB ALA 54 1.595 3.602 -11.858 352 HB3 ALA 54 3HB ALA 54 3.182 3.758 -11.103 353 H LEU 55 H LEU 55 3.461 0.982 -11.866 354 HA LEU 55 HA LEU 55 6.192 1.263 -11.071 355 HB2 LEU 55 1HB LEU 55 4.154 -0.923 -10.859 356 HB3 LEU 55 2HB LEU 55 5.835 -1.206 -10.409 357 HG LEU 55 HG LEU 55 4.242 1.024 -9.182 358 HD11 LEU 55 1HD1 LEU 55 3.237 -1.397 -8.994 359 HD12 LEU 55 2HD1 LEU 55 3.311 -0.330 -7.592 360 HD13 LEU 55 3HD1 LEU 55 4.520 -1.596 -7.800 361 HD21 LEU 55 1HD2 LEU 55 5.874 0.429 -7.293 362 HD22 LEU 55 2HD2 LEU 55 6.511 1.273 -8.704 363 HD23 LEU 55 3HD2 LEU 55 6.761 -0.465 -8.527 364 H GLY 56 H GLY 56 4.485 -0.717 -13.469 365 HA2 GLY 56 1HA GLY 56 6.482 -2.365 -14.359 366 HA3 GLY 56 2HA GLY 56 5.259 -1.674 -15.415 367 H LEU 57 H LEU 57 6.045 1.049 -15.150 368 HA LEU 57 HA LEU 57 8.132 1.110 -17.096 369 HB2 LEU 57 1HB LEU 57 6.894 3.381 -15.548 370 HB3 LEU 57 2HB LEU 57 7.877 3.529 -17.004 371 HG LEU 57 HG LEU 57 5.199 2.147 -16.902 372 HD11 LEU 57 1HD1 LEU 57 4.347 4.156 -18.040 373 HD12 LEU 57 2HD1 LEU 57 5.902 4.945 -17.777 374 HD13 LEU 57 3HD1 LEU 57 4.899 4.493 -16.399 375 HD21 LEU 57 1HD2 LEU 57 7.265 2.561 -18.958 376 HD22 LEU 57 2HD2 LEU 57 5.608 2.891 -19.465 377 HD23 LEU 57 3HD2 LEU 57 6.034 1.306 -18.818 378 H ASP 58 H ASP 58 10.137 2.295 -16.901 379 HA ASP 58 HA ASP 58 11.501 1.671 -14.446 380 HB2 ASP 58 1HB ASP 58 12.473 3.063 -16.951 381 HB3 ASP 58 2HB ASP 58 13.500 2.553 -15.613 382 H ALA 59 H ALA 59 9.527 3.460 -13.851 383 HA ALA 59 HA ALA 59 10.173 6.171 -13.933 384 HB1 ALA 59 1HB ALA 59 8.472 4.499 -12.141 385 HB2 ALA 59 2HB ALA 59 8.777 6.186 -11.724 386 HB3 ALA 59 3HB ALA 59 8.009 5.782 -13.259 387 H THR 60 H THR 60 10.665 7.495 -11.907 388 HA THR 60 HA THR 60 13.281 6.965 -11.072 389 HB THR 60 HB THR 60 12.690 8.711 -9.229 390 HG1 THR 60 1HG THR 60 10.717 9.495 -9.279 391 HG21 THR 60 1HG2 THR 60 13.895 9.071 -11.441 392 HG22 THR 60 2HG2 THR 60 13.089 10.479 -10.748 393 HG23 THR 60 3HG2 THR 60 12.341 9.603 -12.083 394 HA PRO 61 HA PRO 61 12.953 4.278 -7.617 395 HB2 PRO 61 1HB PRO 61 14.894 5.241 -5.982 396 HB3 PRO 61 2HB PRO 61 15.245 4.360 -7.473 397 HG2 PRO 61 1HG PRO 61 15.238 7.312 -6.975 398 HG3 PRO 61 2HG PRO 61 16.402 6.334 -7.888 399 HD2 PRO 61 1HD PRO 61 14.463 7.791 -9.091 400 HD3 PRO 61 2HD PRO 61 15.061 6.260 -9.761 401 H GLN 62 H GLN 62 12.105 7.514 -7.406 402 HA GLN 62 HA GLN 62 11.443 7.414 -4.563 403 HB2 GLN 62 1HB GLN 62 11.349 9.618 -6.618 404 HB3 GLN 62 2HB GLN 62 10.670 9.799 -5.006 405 HG2 GLN 62 1HG GLN 62 13.482 8.879 -5.247 406 HG3 GLN 62 2HG GLN 62 13.121 10.572 -5.581 407 HE21 GLN 62 1HE2 GLN 62 13.642 8.225 -3.199 408 HE22 GLN 62 2HE2 GLN 62 13.292 9.200 -1.816 409 H ASP 63 H ASP 63 9.963 7.226 -7.698 410 HA ASP 63 HA ASP 63 7.276 7.598 -6.707 411 HB2 ASP 63 1HB ASP 63 8.533 7.099 -9.358 412 HB3 ASP 63 2HB ASP 63 6.852 6.613 -9.154 413 H GLN 64 H GLN 64 9.226 4.888 -7.915 414 HA GLN 64 HA GLN 64 7.376 2.860 -7.842 415 HB2 GLN 64 1HB GLN 64 10.324 2.915 -7.295 416 HB3 GLN 64 2HB GLN 64 9.421 1.415 -7.126 417 HG2 GLN 64 1HG GLN 64 10.074 1.199 -9.281 418 HG3 GLN 64 2HG GLN 64 8.569 2.082 -9.538 419 HE21 GLN 64 1HE2 GLN 64 12.056 2.365 -9.358 420 HE22 GLN 64 2HE2 GLN 64 12.175 3.830 -10.267 421 H ALA 65 H ALA 65 8.781 4.567 -5.190 422 HA ALA 65 HA ALA 65 8.134 2.598 -3.196 423 HB1 ALA 65 1HB ALA 65 8.737 5.498 -2.687 424 HB2 ALA 65 2HB ALA 65 8.985 4.121 -1.612 425 HB3 ALA 65 3HB ALA 65 9.995 4.314 -3.045 426 H VAL 66 H VAL 66 6.962 5.933 -3.703 427 HA VAL 66 HA VAL 66 4.815 5.893 -1.991 428 HB VAL 66 HB VAL 66 5.616 7.888 -3.258 429 HG11 VAL 66 1HG1 VAL 66 4.519 8.264 -5.497 430 HG12 VAL 66 2HG1 VAL 66 5.812 7.064 -5.472 431 HG13 VAL 66 3HG1 VAL 66 4.126 6.545 -5.502 432 HG21 VAL 66 1HG2 VAL 66 2.658 7.310 -3.391 433 HG22 VAL 66 2HG2 VAL 66 3.534 7.980 -2.015 434 HG23 VAL 66 3HG2 VAL 66 3.389 8.912 -3.505 435 H LEU 67 H LEU 67 5.066 4.499 -5.193 436 HA LEU 67 HA LEU 67 2.272 3.976 -5.498 437 HB2 LEU 67 1HB LEU 67 4.669 2.789 -6.889 438 HB3 LEU 67 2HB LEU 67 2.993 2.531 -7.370 439 HG LEU 67 HG LEU 67 4.061 5.316 -7.241 440 HD11 LEU 67 1HD1 LEU 67 5.763 4.116 -8.484 441 HD12 LEU 67 2HD1 LEU 67 4.808 5.125 -9.569 442 HD13 LEU 67 3HD1 LEU 67 4.527 3.386 -9.509 443 HD21 LEU 67 1HD2 LEU 67 2.337 5.809 -8.693 444 HD22 LEU 67 2HD2 LEU 67 1.622 4.536 -7.703 445 HD23 LEU 67 3HD2 LEU 67 2.243 4.159 -9.311 446 H HIS 68 H HIS 68 5.079 1.985 -4.610 447 HA HIS 68 HA HIS 68 3.857 -0.471 -4.345 448 HB2 HIS 68 1HB HIS 68 6.202 0.828 -3.042 449 HB3 HIS 68 2HB HIS 68 5.608 -0.679 -2.350 450 HD1 HIS 68 1HD HIS 68 4.921 -2.193 -4.942 451 HD2 HIS 68 2HD HIS 68 8.426 -0.042 -4.349 452 HE1 HIS 68 1HE HIS 68 6.591 -3.172 -6.548 453 HE2 HIS 68 2HE HIS 68 8.728 -1.912 -6.110 454 H ARG 69 H ARG 69 4.245 2.000 -1.806 455 HA ARG 69 HA ARG 69 2.877 0.656 0.217 456 HB2 ARG 69 1HB ARG 69 2.617 2.844 1.279 457 HB3 ARG 69 2HB ARG 69 4.236 2.653 0.619 458 HG2 ARG 69 1HG ARG 69 3.700 4.053 -1.254 459 HG3 ARG 69 2HG ARG 69 2.009 4.136 -0.757 460 HD2 ARG 69 1HD ARG 69 2.907 6.149 -0.001 461 HD3 ARG 69 2HD ARG 69 2.913 5.124 1.433 462 HE ARG 69 HE ARG 69 5.371 4.714 0.449 463 HH11 ARG 69 2HH1 ARG 69 3.563 7.631 1.041 464 HH12 ARG 69 1HH1 ARG 69 4.969 8.591 1.363 465 HH21 ARG 69 2HH2 ARG 69 7.228 5.969 0.872 466 HH22 ARG 69 1HH2 ARG 69 7.053 7.645 1.266 467 H ASN 70 H ASN 70 1.672 2.878 -2.266 468 HA ASN 70 HA ASN 70 -0.970 3.076 -1.388 469 HB2 ASN 70 1HB ASN 70 0.356 3.361 -4.063 470 HB3 ASN 70 2HB ASN 70 -1.401 3.414 -3.950 471 HD21 ASN 70 1HD2 ASN 70 -1.415 5.564 -4.633 472 HD22 ASN 70 2HD2 ASN 70 -0.950 6.855 -3.583 473 H ARG 71 H ARG 71 0.417 0.854 -3.805 474 HA ARG 71 HA ARG 71 -1.741 -0.577 -4.583 475 HB2 ARG 71 1HB ARG 71 1.010 -1.595 -3.875 476 HB3 ARG 71 2HB ARG 71 -0.208 -2.593 -4.658 477 HG2 ARG 71 1HG ARG 71 -0.259 -0.553 -6.346 478 HG3 ARG 71 2HG ARG 71 1.382 -0.337 -5.736 479 HD2 ARG 71 1HD ARG 71 0.285 -2.905 -6.874 480 HD3 ARG 71 2HD ARG 71 1.271 -1.748 -7.767 481 HE ARG 71 HE ARG 71 2.646 -2.462 -5.440 482 HH11 ARG 71 2HH1 ARG 71 1.585 -3.889 -8.433 483 HH12 ARG 71 1HH1 ARG 71 2.876 -5.041 -8.493 484 HH21 ARG 71 2HH2 ARG 71 4.352 -3.975 -5.508 485 HH22 ARG 71 1HH2 ARG 71 4.449 -5.090 -6.828 486 H ALA 72 H ALA 72 0.134 -1.231 -1.627 487 HA ALA 72 HA ALA 72 -1.039 -3.397 -0.572 488 HB1 ALA 72 1HB ALA 72 -0.465 -0.845 0.929 489 HB2 ALA 72 2HB ALA 72 -0.719 -2.426 1.669 490 HB3 ALA 72 3HB ALA 72 0.669 -2.160 0.614 491 H ALA 73 H ALA 73 -2.430 -0.127 -0.358 492 HA ALA 73 HA ALA 73 -4.698 -0.663 1.103 493 HB1 ALA 73 1HB ALA 73 -4.387 1.577 0.680 494 HB2 ALA 73 2HB ALA 73 -4.085 1.321 -1.039 495 HB3 ALA 73 3HB ALA 73 -5.726 1.201 -0.405 496 H CYS 74 H CYS 74 -4.416 -0.758 -2.452 497 HA CYS 74 HA CYS 74 -6.929 -1.502 -3.167 498 HB2 CYS 74 1HB CYS 74 -4.454 -2.786 -4.331 499 HB3 CYS 74 2HB CYS 74 -5.997 -2.526 -5.135 500 HG CYS 74 HG CYS 74 -5.757 0.230 -5.282 501 H HIS 75 H HIS 75 -4.355 -3.715 -2.109 502 HA HIS 75 HA HIS 75 -5.916 -6.064 -2.284 503 HB2 HIS 75 1HB HIS 75 -3.364 -5.352 -0.868 504 HB3 HIS 75 2HB HIS 75 -4.123 -6.919 -0.604 505 HD1 HIS 75 1HD HIS 75 -4.994 -7.563 -3.483 506 HD2 HIS 75 2HD HIS 75 -1.266 -6.042 -2.458 507 HE1 HIS 75 1HE HIS 75 -3.459 -8.220 -5.364 508 HE2 HIS 75 2HE HIS 75 -1.191 -7.362 -4.681 509 H LEU 76 H LEU 76 -4.922 -4.175 0.575 510 HA LEU 76 HA LEU 76 -6.173 -5.476 2.581 511 HB2 LEU 76 1HB LEU 76 -6.044 -2.507 2.103 512 HB3 LEU 76 2HB LEU 76 -6.604 -3.219 3.616 513 HG LEU 76 HG LEU 76 -3.847 -3.618 2.457 514 HD11 LEU 76 1HD1 LEU 76 -4.627 -1.866 4.775 515 HD12 LEU 76 2HD1 LEU 76 -4.380 -1.260 3.138 516 HD13 LEU 76 3HD1 LEU 76 -3.045 -2.014 4.009 517 HD21 LEU 76 1HD2 LEU 76 -4.248 -4.018 5.307 518 HD22 LEU 76 2HD2 LEU 76 -3.463 -5.057 4.117 519 HD23 LEU 76 3HD2 LEU 76 -5.214 -5.119 4.324 520 H LYS 77 H LYS 77 -7.734 -3.244 0.314 521 HA LYS 77 HA LYS 77 -10.310 -3.404 1.493 522 HB2 LYS 77 1HB LYS 77 -9.186 -2.371 -1.062 523 HB3 LYS 77 2HB LYS 77 -10.917 -2.674 -1.001 524 HG2 LYS 77 1HG LYS 77 -10.715 -0.436 -0.415 525 HG3 LYS 77 2HG LYS 77 -10.898 -1.262 1.134 526 HD2 LYS 77 1HD LYS 77 -8.482 -1.193 1.467 527 HD3 LYS 77 2HD LYS 77 -8.280 -0.400 -0.098 528 HE2 LYS 77 1HE LYS 77 -9.786 0.703 2.273 529 HE3 LYS 77 2HE LYS 77 -8.186 1.211 1.736 530 HZ1 LYS 77 1HZ LYS 77 -9.096 2.578 0.270 531 HZ2 LYS 77 2HZ LYS 77 -10.618 2.226 0.919 532 HZ3 LYS 77 3HZ LYS 77 -10.038 1.344 -0.402 533 H LEU 78 H LEU 78 -8.818 -5.049 -1.278 534 HA LEU 78 HA LEU 78 -11.157 -6.688 -1.710 535 HB2 LEU 78 1HB LEU 78 -8.406 -6.894 -2.925 536 HB3 LEU 78 2HB LEU 78 -9.858 -7.721 -3.486 537 HG LEU 78 HG LEU 78 -9.770 -4.731 -3.417 538 HD11 LEU 78 1HD1 LEU 78 -9.139 -5.738 -6.019 539 HD12 LEU 78 2HD1 LEU 78 -7.929 -6.286 -4.860 540 HD13 LEU 78 3HD1 LEU 78 -8.265 -4.564 -5.034 541 HD21 LEU 78 1HD2 LEU 78 -11.463 -6.847 -4.523 542 HD22 LEU 78 2HD2 LEU 78 -11.097 -5.545 -5.656 543 HD23 LEU 78 3HD2 LEU 78 -11.855 -5.179 -4.105 544 H GLU 79 H GLU 79 -10.216 -6.986 0.886 545 HA GLU 79 HA GLU 79 -9.351 -8.484 2.406 546 HB2 GLU 79 1HB GLU 79 -11.138 -9.957 0.532 547 HB3 GLU 79 2HB GLU 79 -10.228 -10.897 1.706 548 HG2 GLU 79 1HG GLU 79 -11.237 -9.742 3.527 549 HG3 GLU 79 2HG GLU 79 -11.988 -8.575 2.441 550 H ASP 80 H ASP 80 -7.312 -7.827 0.757 551 HA ASP 80 HA ASP 80 -5.981 -10.407 0.247 552 HB2 ASP 80 1HB ASP 80 -5.931 -7.835 -1.290 553 HB3 ASP 80 2HB ASP 80 -4.528 -8.899 -1.332 554 H TYR 81 H TYR 81 -6.019 -9.105 2.765 555 HA TYR 81 HA TYR 81 -3.965 -7.414 3.400 556 HB2 TYR 81 1HB TYR 81 -4.780 -9.830 5.027 557 HB3 TYR 81 2HB TYR 81 -3.987 -8.379 5.632 558 HD1 TYR 81 1HD TYR 81 -7.143 -9.816 4.457 559 HD2 TYR 81 2HD TYR 81 -5.230 -6.313 5.929 560 HE1 TYR 81 1HE TYR 81 -9.343 -8.803 4.885 561 HE2 TYR 81 2HE TYR 81 -7.424 -5.290 6.363 562 HH TYR 81 HH TYR 81 -9.918 -6.414 6.835 563 H ASP 82 H ASP 82 -3.773 -10.958 3.167 564 HA ASP 82 HA ASP 82 -1.236 -11.496 3.898 565 HB2 ASP 82 1HB ASP 82 -3.049 -13.001 2.750 566 HB3 ASP 82 2HB ASP 82 -2.160 -12.619 1.278 567 H LYS 83 H LYS 83 -2.027 -10.703 0.509 568 HA LYS 83 HA LYS 83 0.667 -10.276 -0.238 569 HB2 LYS 83 1HB LYS 83 -1.930 -9.433 -1.527 570 HB3 LYS 83 2HB LYS 83 -0.355 -9.186 -2.270 571 HG2 LYS 83 1HG LYS 83 -0.045 -11.420 -2.687 572 HG3 LYS 83 2HG LYS 83 -1.118 -11.924 -1.379 573 HD2 LYS 83 1HD LYS 83 -3.053 -11.384 -2.635 574 HD3 LYS 83 2HD LYS 83 -2.110 -10.509 -3.844 575 HE2 LYS 83 1HE LYS 83 -1.117 -12.552 -4.625 576 HE3 LYS 83 2HE LYS 83 -1.864 -13.467 -3.316 577 HZ1 LYS 83 1HZ LYS 83 -2.944 -12.738 -5.846 578 HZ2 LYS 83 2HZ LYS 83 -3.943 -12.207 -4.588 579 HZ3 LYS 83 3HZ LYS 83 -3.532 -13.844 -4.708 580 H ALA 84 H ALA 84 -1.952 -8.058 0.648 581 HA ALA 84 HA ALA 84 -0.905 -5.615 0.122 582 HB1 ALA 84 1HB ALA 84 -3.043 -6.425 1.499 583 HB2 ALA 84 2HB ALA 84 -2.031 -5.895 2.844 584 HB3 ALA 84 3HB ALA 84 -2.444 -4.767 1.553 585 H GLU 85 H GLU 85 -0.267 -7.443 3.120 586 HA GLU 85 HA GLU 85 1.443 -5.755 4.402 587 HB2 GLU 85 1HB GLU 85 0.784 -7.840 5.409 588 HB3 GLU 85 2HB GLU 85 1.618 -8.760 4.164 589 HG2 GLU 85 1HG GLU 85 3.176 -6.868 5.851 590 HG3 GLU 85 2HG GLU 85 2.683 -8.420 6.525 591 H THR 86 H THR 86 2.391 -8.167 1.959 592 HA THR 86 HA THR 86 5.110 -7.685 1.892 593 HB THR 86 HB THR 86 3.346 -8.352 -0.473 594 HG1 THR 86 1HG THR 86 3.530 -9.743 1.606 595 HG21 THR 86 1HG2 THR 86 6.133 -7.814 -0.314 596 HG22 THR 86 2HG2 THR 86 5.201 -8.370 -1.704 597 HG23 THR 86 3HG2 THR 86 5.926 -9.541 -0.603 598 H GLU 87 H GLU 87 2.657 -6.210 -0.243 599 HA GLU 87 HA GLU 87 4.216 -4.503 -1.688 600 HB2 GLU 87 1HB GLU 87 1.494 -3.878 -0.531 601 HB3 GLU 87 2HB GLU 87 2.251 -3.026 -1.869 602 HG2 GLU 87 1HG GLU 87 1.795 -5.976 -2.009 603 HG3 GLU 87 2HG GLU 87 0.493 -4.842 -2.365 604 H ALA 88 H ALA 88 2.815 -3.838 1.512 605 HA ALA 88 HA ALA 88 3.675 -1.251 1.889 606 HB1 ALA 88 1HB ALA 88 2.212 -2.545 3.429 607 HB2 ALA 88 2HB ALA 88 3.650 -3.375 4.027 608 HB3 ALA 88 3HB ALA 88 3.481 -1.634 4.248 609 H SER 89 H SER 89 5.413 -4.160 3.018 610 HA SER 89 HA SER 89 7.722 -2.935 3.893 611 HB2 SER 89 1HB SER 89 8.772 -5.066 3.791 612 HB3 SER 89 2HB SER 89 7.066 -5.390 4.098 613 HG SER 89 HG SER 89 7.165 -6.583 2.380 614 H LYS 90 H LYS 90 6.989 -4.126 0.630 615 HA LYS 90 HA LYS 90 9.395 -3.672 -0.622 616 HB2 LYS 90 1HB LYS 90 6.563 -3.433 -1.608 617 HB3 LYS 90 2HB LYS 90 7.929 -3.147 -2.678 618 HG2 LYS 90 1HG LYS 90 8.759 -5.425 -2.127 619 HG3 LYS 90 2HG LYS 90 7.271 -5.693 -1.215 620 HD2 LYS 90 1HD LYS 90 5.961 -5.294 -3.249 621 HD3 LYS 90 2HD LYS 90 7.453 -5.039 -4.157 622 HE2 LYS 90 1HE LYS 90 7.009 -7.576 -2.630 623 HE3 LYS 90 2HE LYS 90 6.303 -7.360 -4.231 624 HZ1 LYS 90 1HZ LYS 90 9.103 -6.674 -4.049 625 HZ2 LYS 90 2HZ LYS 90 8.284 -7.581 -5.218 626 HZ3 LYS 90 3HZ LYS 90 8.770 -8.309 -3.770 627 H ALA 91 H ALA 91 6.848 -1.346 0.127 628 HA ALA 91 HA ALA 91 8.118 0.833 -1.228 629 HB1 ALA 91 1HB ALA 91 5.686 0.739 -0.869 630 HB2 ALA 91 2HB ALA 91 5.950 0.905 0.867 631 HB3 ALA 91 3HB ALA 91 6.402 2.216 -0.223 632 H ILE 92 H ILE 92 7.935 -0.278 2.125 633 HA ILE 92 HA ILE 92 9.223 1.907 3.325 634 HB ILE 92 HB ILE 92 9.162 -0.988 4.181 635 HG12 ILE 92 1HG1 ILE 92 7.586 1.307 5.330 636 HG13 ILE 92 2HG1 ILE 92 6.991 0.375 3.960 637 HG21 ILE 92 1HG2 ILE 92 10.735 1.150 5.177 638 HG22 ILE 92 2HG2 ILE 92 9.488 0.791 6.369 639 HG23 ILE 92 3HG2 ILE 92 10.573 -0.484 5.817 640 HD11 ILE 92 1HD1 ILE 92 6.276 -1.239 5.292 641 HD12 ILE 92 2HD1 ILE 92 7.845 -1.362 6.088 642 HD13 ILE 92 3HD1 ILE 92 6.656 -0.190 6.658 643 H GLU 93 H GLU 93 10.500 -1.060 1.891 644 HA GLU 93 HA GLU 93 13.197 -0.618 2.662 645 HB2 GLU 93 1HB GLU 93 13.730 -2.352 0.984 646 HB3 GLU 93 2HB GLU 93 12.435 -2.841 2.068 647 HG2 GLU 93 1HG GLU 93 10.814 -2.659 0.426 648 HG3 GLU 93 2HG GLU 93 11.806 -1.601 -0.576 649 H LYS 94 H LYS 94 11.274 0.300 -0.128 650 HA LYS 94 HA LYS 94 13.251 1.072 -1.905 651 HB2 LYS 94 1HB LYS 94 10.434 1.898 -1.419 652 HB3 LYS 94 2HB LYS 94 11.411 2.934 -2.451 653 HG2 LYS 94 1HG LYS 94 11.205 -0.020 -2.926 654 HG3 LYS 94 2HG LYS 94 10.017 1.117 -3.568 655 HD2 LYS 94 1HD LYS 94 11.797 2.322 -4.735 656 HD3 LYS 94 2HD LYS 94 12.991 1.198 -4.081 657 HE2 LYS 94 1HE LYS 94 11.962 -0.639 -5.273 658 HE3 LYS 94 2HE LYS 94 10.676 0.419 -5.851 659 HZ1 LYS 94 1HZ LYS 94 12.653 -0.098 -7.389 660 HZ2 LYS 94 2HZ LYS 94 13.493 1.037 -6.458 661 HZ3 LYS 94 3HZ LYS 94 12.097 1.497 -7.295 662 H ASP 95 H ASP 95 11.528 3.242 0.348 663 HA ASP 95 HA ASP 95 13.738 5.147 0.129 664 HB2 ASP 95 1HB ASP 95 11.358 5.902 -0.173 665 HB3 ASP 95 2HB ASP 95 11.085 5.524 1.526 666 H GLY 96 H GLY 96 11.634 4.041 2.796 667 HA2 GLY 96 1HA GLY 96 12.787 2.813 4.637 668 HA3 GLY 96 2HA GLY 96 14.037 4.043 4.518 669 H GLY 97 H GLY 97 12.613 6.362 4.365 670 HA2 GLY 97 1HA GLY 97 11.462 6.472 7.059 671 HA3 GLY 97 2HA GLY 97 12.055 7.843 6.132 672 H ASP 98 H ASP 98 9.625 5.281 5.616 673 HA ASP 98 HA ASP 98 7.696 7.406 4.944 674 HB2 ASP 98 1HB ASP 98 6.630 5.595 3.464 675 HB3 ASP 98 2HB ASP 98 8.116 6.345 2.888 676 H VAL 99 H VAL 99 6.942 7.424 7.103 677 HA VAL 99 HA VAL 99 6.075 5.144 8.509 678 HB VAL 99 HB VAL 99 4.881 6.674 9.977 679 HG11 VAL 99 1HG1 VAL 99 6.770 8.187 10.560 680 HG12 VAL 99 2HG1 VAL 99 7.247 6.503 10.335 681 HG13 VAL 99 3HG1 VAL 99 7.570 7.689 9.070 682 HG21 VAL 99 1HG2 VAL 99 5.327 9.218 9.166 683 HG22 VAL 99 2HG2 VAL 99 5.028 8.426 7.618 684 HG23 VAL 99 3HG2 VAL 99 3.819 8.344 8.899 685 H LYS 100 H LYS 100 4.542 7.143 6.099 686 HA LYS 100 HA LYS 100 1.872 6.671 6.459 687 HB2 LYS 100 1HB LYS 100 3.410 6.704 3.857 688 HB3 LYS 100 2HB LYS 100 1.659 6.810 3.975 689 HG2 LYS 100 1HG LYS 100 3.535 8.774 5.266 690 HG3 LYS 100 2HG LYS 100 2.837 8.989 3.659 691 HD2 LYS 100 1HD LYS 100 0.589 8.895 4.626 692 HD3 LYS 100 2HD LYS 100 1.289 8.680 6.233 693 HE2 LYS 100 1HE LYS 100 2.107 10.855 6.301 694 HE3 LYS 100 2HE LYS 100 2.043 11.038 4.549 695 HZ1 LYS 100 1HZ LYS 100 -0.494 10.588 5.905 696 HZ2 LYS 100 2HZ LYS 100 -0.130 11.594 4.595 697 HZ3 LYS 100 3HZ LYS 100 0.241 12.089 6.170 698 H ALA 101 H ALA 101 4.070 4.611 4.546 699 HA ALA 101 HA ALA 101 2.192 2.570 4.064 700 HB1 ALA 101 1HB ALA 101 4.086 2.665 2.659 701 HB2 ALA 101 2HB ALA 101 5.199 2.592 4.026 702 HB3 ALA 101 3HB ALA 101 4.246 1.174 3.588 703 H LEU 102 H LEU 102 4.544 3.057 6.650 704 HA LEU 102 HA LEU 102 4.469 0.582 7.879 705 HB2 LEU 102 1HB LEU 102 4.966 3.358 8.793 706 HB3 LEU 102 2HB LEU 102 4.679 2.139 10.033 707 HG LEU 102 HG LEU 102 6.756 1.685 7.925 708 HD11 LEU 102 1HD1 LEU 102 6.779 3.816 9.838 709 HD12 LEU 102 2HD1 LEU 102 7.988 3.386 8.630 710 HD13 LEU 102 3HD1 LEU 102 8.037 2.644 10.228 711 HD21 LEU 102 1HD2 LEU 102 7.731 0.262 9.582 712 HD22 LEU 102 2HD2 LEU 102 6.015 -0.131 9.466 713 HD23 LEU 102 3HD2 LEU 102 6.609 0.841 10.814 714 H TYR 103 H TYR 103 2.299 3.350 8.375 715 HA TYR 103 HA TYR 103 0.719 2.238 10.392 716 HB2 TYR 103 1HB TYR 103 0.674 4.626 9.709 717 HB3 TYR 103 2HB TYR 103 -0.164 4.164 8.232 718 HD1 TYR 103 2HD TYR 103 -0.620 3.163 11.805 719 HD2 TYR 103 1HD TYR 103 -2.345 4.916 8.333 720 HE1 TYR 103 2HE TYR 103 -2.775 3.348 12.976 721 HE2 TYR 103 1HE TYR 103 -4.504 5.107 9.494 722 HH TYR 103 HH TYR 103 -5.393 3.480 12.004 723 H ARG 104 H ARG 104 0.393 2.081 6.868 724 HA ARG 104 HA ARG 104 -2.058 0.670 6.849 725 HB2 ARG 104 1HB ARG 104 0.137 1.014 4.815 726 HB3 ARG 104 2HB ARG 104 -1.283 0.029 4.488 727 HG2 ARG 104 1HG ARG 104 -2.533 2.226 5.275 728 HG3 ARG 104 2HG ARG 104 -1.026 2.970 4.738 729 HD2 ARG 104 1HD ARG 104 -2.176 3.009 2.772 730 HD3 ARG 104 2HD ARG 104 -1.435 1.414 2.637 731 HE ARG 104 HE ARG 104 -3.512 0.450 2.894 732 HH11 ARG 104 2HH1 ARG 104 -3.688 3.858 3.582 733 HH12 ARG 104 1HH1 ARG 104 -5.420 3.895 3.611 734 HH21 ARG 104 2HH2 ARG 104 -5.792 0.486 2.930 735 HH22 ARG 104 1HH2 ARG 104 -6.616 1.976 3.241 736 H ARG 105 H ARG 105 1.302 -0.442 6.439 737 HA ARG 105 HA ARG 105 1.050 -3.078 5.997 738 HB2 ARG 105 1HB ARG 105 3.196 -1.876 6.402 739 HB3 ARG 105 2HB ARG 105 2.871 -1.949 8.128 740 HG2 ARG 105 1HG ARG 105 3.258 -4.213 8.246 741 HG3 ARG 105 2HG ARG 105 2.902 -4.468 6.536 742 HD2 ARG 105 1HD ARG 105 4.990 -3.156 6.024 743 HD3 ARG 105 2HD ARG 105 5.364 -3.228 7.745 744 HE ARG 105 HE ARG 105 4.852 -5.815 6.680 745 HH11 ARG 105 2HH1 ARG 105 7.264 -3.313 6.875 746 HH12 ARG 105 1HH1 ARG 105 8.598 -4.402 6.686 747 HH21 ARG 105 2HH2 ARG 105 6.599 -7.260 6.429 748 HH22 ARG 105 1HH2 ARG 105 8.218 -6.647 6.431 749 H SER 106 H SER 106 1.054 -1.740 9.308 750 HA SER 106 HA SER 106 0.539 -3.941 10.787 751 HB2 SER 106 1HB SER 106 -0.490 -2.535 12.437 752 HB3 SER 106 2HB SER 106 0.742 -1.568 11.626 753 HG SER 106 HG SER 106 -0.770 -0.360 10.727 754 H GLN 107 H GLN 107 -1.885 -2.073 8.995 755 HA GLN 107 HA GLN 107 -4.219 -3.228 9.758 756 HB2 GLN 107 1HB GLN 107 -3.448 -2.656 6.891 757 HB3 GLN 107 2HB GLN 107 -5.086 -2.782 7.519 758 HG2 GLN 107 1HG GLN 107 -3.083 -0.719 8.403 759 HG3 GLN 107 2HG GLN 107 -4.310 -0.457 7.164 760 HE21 GLN 107 1HE2 GLN 107 -3.733 0.556 10.013 761 HE22 GLN 107 2HE2 GLN 107 -5.281 0.483 10.776 762 H ALA 108 H ALA 108 -1.843 -4.598 7.528 763 HA ALA 108 HA ALA 108 -3.428 -6.966 7.059 764 HB1 ALA 108 1HB ALA 108 -1.522 -7.719 5.722 765 HB2 ALA 108 2HB ALA 108 -2.014 -6.083 5.284 766 HB3 ALA 108 3HB ALA 108 -0.583 -6.335 6.282 767 H LEU 109 H LEU 109 -0.380 -6.213 8.733 768 HA LEU 109 HA LEU 109 0.421 -8.649 9.611 769 HB2 LEU 109 1HB LEU 109 0.421 -5.976 10.953 770 HB3 LEU 109 2HB LEU 109 1.039 -7.393 11.798 771 HG LEU 109 HG LEU 109 2.089 -6.437 9.139 772 HD11 LEU 109 1HD1 LEU 109 2.345 -4.867 11.180 773 HD12 LEU 109 2HD1 LEU 109 3.763 -5.248 10.204 774 HD13 LEU 109 3HD1 LEU 109 3.508 -6.066 11.745 775 HD21 LEU 109 1HD2 LEU 109 2.417 -8.837 10.576 776 HD22 LEU 109 2HD2 LEU 109 3.920 -7.930 10.749 777 HD23 LEU 109 3HD2 LEU 109 3.293 -8.300 9.142 778 H GLU 110 H GLU 110 -1.763 -6.564 11.518 779 HA GLU 110 HA GLU 110 -2.425 -8.371 13.489 780 HB2 GLU 110 1HB GLU 110 -3.897 -6.072 12.257 781 HB3 GLU 110 2HB GLU 110 -4.704 -7.080 13.449 782 HG2 GLU 110 1HG GLU 110 -2.479 -6.610 14.805 783 HG3 GLU 110 2HG GLU 110 -2.457 -5.178 13.776 784 H LYS 111 H LYS 111 -4.050 -7.876 10.369 785 HA LYS 111 HA LYS 111 -6.123 -9.690 10.655 786 HB2 LYS 111 1HB LYS 111 -5.475 -8.037 8.708 787 HB3 LYS 111 2HB LYS 111 -4.719 -9.470 8.024 788 HG2 LYS 111 1HG LYS 111 -6.791 -9.574 7.067 789 HG3 LYS 111 2HG LYS 111 -7.045 -10.562 8.507 790 HD2 LYS 111 1HD LYS 111 -7.706 -8.216 9.547 791 HD3 LYS 111 2HD LYS 111 -8.055 -7.841 7.858 792 HE2 LYS 111 1HE LYS 111 -9.587 -9.687 7.711 793 HE3 LYS 111 2HE LYS 111 -9.141 -10.241 9.324 794 HZ1 LYS 111 1HZ LYS 111 -11.207 -9.072 9.442 795 HZ2 LYS 111 2HZ LYS 111 -10.565 -7.728 8.642 796 HZ3 LYS 111 3HZ LYS 111 -10.026 -8.124 10.196 797 H LEU 112 H LEU 112 -2.769 -10.252 9.729 798 HA LEU 112 HA LEU 112 -3.235 -13.075 9.271 799 HB2 LEU 112 1HB LEU 112 -0.683 -11.471 9.317 800 HB3 LEU 112 2HB LEU 112 -0.812 -13.164 8.845 801 HG LEU 112 HG LEU 112 -2.247 -10.951 7.393 802 HD11 LEU 112 1HD1 LEU 112 0.516 -11.285 7.511 803 HD12 LEU 112 2HD1 LEU 112 -0.397 -10.359 6.321 804 HD13 LEU 112 3HD1 LEU 112 0.024 -12.040 5.994 805 HD21 LEU 112 1HD2 LEU 112 -2.825 -13.505 7.264 806 HD22 LEU 112 2HD2 LEU 112 -1.404 -13.559 6.221 807 HD23 LEU 112 3HD2 LEU 112 -2.767 -12.520 5.802 808 H GLY 113 H GLY 113 -3.746 -11.929 11.935 809 HA2 GLY 113 1HA GLY 113 -3.405 -12.464 14.141 810 HA3 GLY 113 2HA GLY 113 -2.802 -13.998 13.533 811 H ARG 114 H ARG 114 -1.305 -10.933 12.756 812 HA ARG 114 HA ARG 114 1.063 -11.790 14.274 813 HB2 ARG 114 1HB ARG 114 0.819 -9.906 11.922 814 HB3 ARG 114 2HB ARG 114 2.318 -10.255 12.772 815 HG2 ARG 114 1HG ARG 114 2.116 -12.616 12.132 816 HG3 ARG 114 2HG ARG 114 0.639 -12.234 11.246 817 HD2 ARG 114 1HD ARG 114 1.889 -10.725 9.795 818 HD3 ARG 114 2HD ARG 114 3.365 -11.068 10.696 819 HE ARG 114 HE ARG 114 2.062 -13.379 9.549 820 HH11 ARG 114 2HH1 ARG 114 4.437 -10.869 9.126 821 HH12 ARG 114 1HH1 ARG 114 5.332 -11.738 7.924 822 HH21 ARG 114 2HH2 ARG 114 3.232 -14.533 7.967 823 HH22 ARG 114 1HH2 ARG 114 4.645 -13.822 7.264 824 H LEU 115 H LEU 115 -0.837 -10.679 15.835 825 HA LEU 115 HA LEU 115 -0.886 -7.913 16.109 826 HB2 LEU 115 1HB LEU 115 -0.934 -9.835 18.420 827 HB3 LEU 115 2HB LEU 115 -1.708 -8.256 18.306 828 HG LEU 115 HG LEU 115 -2.510 -10.712 16.746 829 HD11 LEU 115 1HD1 LEU 115 -3.581 -9.448 19.248 830 HD12 LEU 115 2HD1 LEU 115 -3.139 -11.130 18.962 831 HD13 LEU 115 3HD1 LEU 115 -4.585 -10.459 18.208 832 HD21 LEU 115 1HD2 LEU 115 -2.896 -8.457 15.675 833 HD22 LEU 115 2HD2 LEU 115 -3.986 -8.103 17.017 834 HD23 LEU 115 3HD2 LEU 115 -4.334 -9.447 15.928 835 H ASP 116 H ASP 116 1.501 -10.251 17.152 836 HA ASP 116 HA ASP 116 2.942 -8.586 18.916 837 HB2 ASP 116 1HB ASP 116 3.706 -11.031 17.325 838 HB3 ASP 116 2HB ASP 116 4.852 -10.206 18.379 839 H GLN 117 H GLN 117 3.131 -9.106 15.437 840 HA GLN 117 HA GLN 117 5.468 -7.449 15.133 841 HB2 GLN 117 1HB GLN 117 3.589 -8.762 13.177 842 HB3 GLN 117 2HB GLN 117 4.892 -7.701 12.658 843 HG2 GLN 117 1HG GLN 117 5.609 -9.979 12.484 844 HG3 GLN 117 2HG GLN 117 6.507 -9.187 13.778 845 HE21 GLN 117 1HE2 GLN 117 3.846 -11.372 13.082 846 HE22 GLN 117 2HE2 GLN 117 3.886 -12.201 14.597 847 H ALA 118 H ALA 118 2.005 -7.148 14.425 848 HA ALA 118 HA ALA 118 1.816 -4.793 13.122 849 HB1 ALA 118 1HB ALA 118 -0.033 -6.304 14.110 850 HB2 ALA 118 2HB ALA 118 0.053 -5.222 15.502 851 HB3 ALA 118 3HB ALA 118 -0.355 -4.581 13.910 852 H VAL 119 H VAL 119 2.277 -5.126 16.631 853 HA VAL 119 HA VAL 119 2.275 -2.380 17.234 854 HB VAL 119 HB VAL 119 3.756 -4.565 18.702 855 HG11 VAL 119 1HG1 VAL 119 4.124 -3.115 20.389 856 HG12 VAL 119 2HG1 VAL 119 3.977 -1.907 19.111 857 HG13 VAL 119 3HG1 VAL 119 2.594 -2.275 20.143 858 HG21 VAL 119 1HG2 VAL 119 1.193 -4.779 18.219 859 HG22 VAL 119 2HG2 VAL 119 1.828 -5.124 19.828 860 HG23 VAL 119 3HG2 VAL 119 1.058 -3.572 19.498 861 H LEU 120 H LEU 120 5.059 -4.594 16.924 862 HA LEU 120 HA LEU 120 7.118 -2.823 17.188 863 HB2 LEU 120 1HB LEU 120 7.017 -5.038 15.148 864 HB3 LEU 120 2HB LEU 120 8.466 -4.313 15.843 865 HG LEU 120 HG LEU 120 6.498 -5.666 17.638 866 HD11 LEU 120 1HD1 LEU 120 6.957 -7.743 16.966 867 HD12 LEU 120 2HD1 LEU 120 8.664 -7.382 16.714 868 HD13 LEU 120 3HD1 LEU 120 7.489 -7.001 15.456 869 HD21 LEU 120 1HD2 LEU 120 8.566 -4.310 18.349 870 HD22 LEU 120 2HD2 LEU 120 9.492 -5.697 17.776 871 HD23 LEU 120 3HD2 LEU 120 8.314 -5.898 19.074 872 H ASP 121 H ASP 121 5.278 -3.502 14.235 873 HA ASP 121 HA ASP 121 6.742 -1.864 12.496 874 HB2 ASP 121 1HB ASP 121 4.806 -3.593 12.057 875 HB3 ASP 121 2HB ASP 121 3.782 -2.165 12.170 876 H LEU 122 H LEU 122 3.701 -1.147 14.217 877 HA LEU 122 HA LEU 122 3.444 1.506 13.435 878 HB2 LEU 122 1HB LEU 122 2.551 -0.001 15.864 879 HB3 LEU 122 2HB LEU 122 2.235 1.726 15.708 880 HG LEU 122 HG LEU 122 1.328 -0.289 13.663 881 HD11 LEU 122 1HD1 LEU 122 -0.655 0.829 15.518 882 HD12 LEU 122 2HD1 LEU 122 0.458 -0.342 16.225 883 HD13 LEU 122 3HD1 LEU 122 -0.523 -0.790 14.830 884 HD21 LEU 122 1HD2 LEU 122 -0.399 1.669 13.429 885 HD22 LEU 122 2HD2 LEU 122 1.182 1.766 12.652 886 HD23 LEU 122 3HD2 LEU 122 0.892 2.616 14.170 887 H GLN 123 H GLN 123 5.154 0.139 16.223 888 HA GLN 123 HA GLN 123 5.869 2.260 17.698 889 HB2 GLN 123 1HB GLN 123 7.693 0.050 16.743 890 HB3 GLN 123 2HB GLN 123 8.110 1.175 18.029 891 HG2 GLN 123 1HG GLN 123 5.799 0.335 19.007 892 HG3 GLN 123 2HG GLN 123 6.184 -1.075 18.021 893 HE21 GLN 123 1HE2 GLN 123 6.888 -2.583 19.360 894 HE22 GLN 123 2HE2 GLN 123 8.100 -2.374 20.572 895 H ARG 124 H ARG 124 6.958 1.609 14.445 896 HA ARG 124 HA ARG 124 8.993 3.641 14.460 897 HB2 ARG 124 1HB ARG 124 7.751 1.967 12.282 898 HB3 ARG 124 2HB ARG 124 8.946 3.213 11.945 899 HG2 ARG 124 1HG ARG 124 10.321 1.416 12.095 900 HG3 ARG 124 2HG ARG 124 10.306 1.899 13.792 901 HD2 ARG 124 1HD ARG 124 8.197 0.293 13.838 902 HD3 ARG 124 2HD ARG 124 9.025 -0.427 12.458 903 HE ARG 124 HE ARG 124 10.660 -0.028 14.811 904 HH11 ARG 124 2HH1 ARG 124 8.603 -2.194 13.024 905 HH12 ARG 124 1HH1 ARG 124 9.249 -3.624 13.759 906 HH21 ARG 124 2HH2 ARG 124 11.520 -1.903 15.786 907 HH22 ARG 124 1HH2 ARG 124 10.908 -3.457 15.330 908 H CYS 125 H CYS 125 5.890 3.299 12.728 909 HA CYS 125 HA CYS 125 5.747 5.787 11.578 910 HB2 CYS 125 1HB CYS 125 3.365 5.485 11.445 911 HB3 CYS 125 2HB CYS 125 4.123 3.910 11.248 912 HG CYS 125 HG CYS 125 1.686 4.549 13.139 913 H VAL 126 H VAL 126 5.313 4.928 14.917 914 HA VAL 126 HA VAL 126 4.134 7.468 15.643 915 HB VAL 126 HB VAL 126 5.196 5.258 17.410 916 HG11 VAL 126 1HG1 VAL 126 3.573 6.416 19.050 917 HG12 VAL 126 2HG1 VAL 126 5.156 7.144 18.769 918 HG13 VAL 126 3HG1 VAL 126 3.726 7.806 17.975 919 HG21 VAL 126 1HG2 VAL 126 3.007 4.421 17.565 920 HG22 VAL 126 2HG2 VAL 126 2.311 5.862 16.824 921 HG23 VAL 126 3HG2 VAL 126 3.249 4.734 15.846 922 H SER 127 H SER 127 7.293 6.011 15.539 923 HA SER 127 HA SER 127 8.551 7.966 17.226 924 HB2 SER 127 1HB SER 127 9.501 5.725 17.044 925 HB3 SER 127 2HB SER 127 9.739 5.943 15.310 926 HG SER 127 HG SER 127 11.011 7.903 16.128 927 H LEU 128 H LEU 128 8.762 7.260 13.735 928 HA LEU 128 HA LEU 128 10.270 9.491 13.020 929 HB2 LEU 128 1HB LEU 128 8.472 7.610 11.606 930 HB3 LEU 128 2HB LEU 128 8.850 9.123 10.785 931 HG LEU 128 HG LEU 128 11.045 7.382 11.845 932 HD11 LEU 128 1HD1 LEU 128 9.165 6.651 9.803 933 HD12 LEU 128 2HD1 LEU 128 10.531 5.740 10.447 934 HD13 LEU 128 3HD1 LEU 128 10.773 6.863 9.108 935 HD21 LEU 128 1HD2 LEU 128 10.912 9.216 9.457 936 HD22 LEU 128 2HD2 LEU 128 12.348 8.464 10.154 937 HD23 LEU 128 3HD2 LEU 128 11.477 9.707 11.054 938 H GLU 129 H GLU 129 6.860 9.166 13.665 939 HA GLU 129 HA GLU 129 6.507 12.023 13.032 940 HB2 GLU 129 1HB GLU 129 4.526 9.753 12.853 941 HB3 GLU 129 2HB GLU 129 4.066 11.447 12.759 942 HG2 GLU 129 1HG GLU 129 6.064 10.199 10.899 943 HG3 GLU 129 2HG GLU 129 4.333 10.233 10.568 944 HA PRO 130 HA PRO 130 6.016 11.952 17.534 945 HB2 PRO 130 1HB PRO 130 6.436 14.618 17.830 946 HB3 PRO 130 2HB PRO 130 7.753 13.451 17.658 947 HG2 PRO 130 1HG PRO 130 6.528 15.241 15.595 948 HG3 PRO 130 2HG PRO 130 8.238 14.874 15.884 949 HD2 PRO 130 1HD PRO 130 6.808 13.695 13.910 950 HD3 PRO 130 2HD PRO 130 8.126 12.864 14.762 951 H LYS 131 H LYS 131 4.582 14.250 15.247 952 HA LYS 131 HA LYS 131 2.464 15.008 17.028 953 HB2 LYS 131 1HB LYS 131 3.045 15.515 14.121 954 HB3 LYS 131 2HB LYS 131 1.513 15.998 14.839 955 HG2 LYS 131 1HG LYS 131 2.968 17.202 16.592 956 HG3 LYS 131 2HG LYS 131 4.267 17.016 15.411 957 HD2 LYS 131 1HD LYS 131 1.605 18.228 14.707 958 HD3 LYS 131 2HD LYS 131 2.945 19.190 15.335 959 HE2 LYS 131 1HE LYS 131 4.349 18.341 13.468 960 HE3 LYS 131 2HE LYS 131 2.925 17.531 12.816 961 HZ1 LYS 131 1HZ LYS 131 1.844 19.730 12.692 962 HZ2 LYS 131 2HZ LYS 131 3.214 19.613 11.708 963 HZ3 LYS 131 3HZ LYS 131 3.295 20.454 13.173 964 H ASN 132 H ASN 132 2.610 13.079 14.035 965 HA ASN 132 HA ASN 132 0.056 12.323 13.662 966 HB2 ASN 132 1HB ASN 132 2.497 10.540 13.573 967 HB3 ASN 132 2HB ASN 132 0.925 10.081 12.925 968 HD21 ASN 132 1HD2 ASN 132 1.060 10.145 10.802 969 HD22 ASN 132 2HD2 ASN 132 1.735 11.432 9.866 970 H LYS 133 H LYS 133 -1.214 12.229 15.491 971 HA LYS 133 HA LYS 133 -0.566 10.517 17.704 972 HB2 LYS 133 1HB LYS 133 -2.004 12.700 17.655 973 HB3 LYS 133 2HB LYS 133 -3.312 11.615 17.204 974 HG2 LYS 133 1HG LYS 133 -3.261 10.502 19.243 975 HG3 LYS 133 2HG LYS 133 -1.633 11.071 19.622 976 HD2 LYS 133 1HD LYS 133 -2.777 13.430 19.538 977 HD3 LYS 133 2HD LYS 133 -4.247 12.498 19.831 978 HE2 LYS 133 1HE LYS 133 -1.784 12.187 21.525 979 HE3 LYS 133 2HE LYS 133 -3.009 13.407 21.868 980 HZ1 LYS 133 1HZ LYS 133 -4.342 11.884 22.751 981 HZ2 LYS 133 2HZ LYS 133 -3.034 10.813 22.718 982 HZ3 LYS 133 3HZ LYS 133 -4.151 10.823 21.447 983 H VAL 134 H VAL 134 -2.812 10.396 14.972 984 HA VAL 134 HA VAL 134 -4.419 8.313 15.437 985 HB VAL 134 HB VAL 134 -2.792 8.642 12.913 986 HG11 VAL 134 1HG1 VAL 134 -3.684 6.626 12.446 987 HG12 VAL 134 2HG1 VAL 134 -4.937 6.777 13.680 988 HG13 VAL 134 3HG1 VAL 134 -5.137 7.569 12.116 989 HG21 VAL 134 1HG2 VAL 134 -3.929 10.581 12.845 990 HG22 VAL 134 2HG2 VAL 134 -5.283 9.562 12.354 991 HG23 VAL 134 3HG2 VAL 134 -5.111 10.050 14.041 992 H PHE 135 H PHE 135 -0.955 8.088 14.943 993 HA PHE 135 HA PHE 135 -0.872 5.242 14.755 994 HB2 PHE 135 1HB PHE 135 1.348 7.156 15.503 995 HB3 PHE 135 2HB PHE 135 1.544 5.490 14.967 996 HD1 PHE 135 1HD PHE 135 -0.450 5.464 12.743 997 HD2 PHE 135 2HD PHE 135 2.493 8.335 13.844 998 HE1 PHE 135 1HE PHE 135 -0.328 6.230 10.408 999 HE2 PHE 135 2HE PHE 135 2.619 9.106 11.511 1000 HZ PHE 135 HZ PHE 135 1.207 8.054 9.790 1001 H GLN 136 H GLN 136 -0.149 7.549 17.362 1002 HA GLN 136 HA GLN 136 0.590 5.719 19.322 1003 HB2 GLN 136 1HB GLN 136 -0.866 8.344 19.683 1004 HB3 GLN 136 2HB GLN 136 -0.017 7.466 20.949 1005 HG2 GLN 136 1HG GLN 136 2.088 7.816 19.869 1006 HG3 GLN 136 2HG GLN 136 1.298 8.513 18.455 1007 HE21 GLN 136 1HE2 GLN 136 2.978 10.183 19.099 1008 HE22 GLN 136 2HE2 GLN 136 2.440 11.441 20.154 1009 H GLU 137 H GLU 137 -2.629 7.024 18.572 1010 HA GLU 137 HA GLU 137 -4.008 5.644 20.602 1011 HB2 GLU 137 1HB GLU 137 -5.980 6.380 19.585 1012 HB3 GLU 137 2HB GLU 137 -4.803 7.607 19.139 1013 HG2 GLU 137 1HG GLU 137 -4.630 6.791 16.940 1014 HG3 GLU 137 2HG GLU 137 -5.462 5.292 17.349 1015 H ALA 138 H ALA 138 -3.067 4.744 17.348 1016 HA ALA 138 HA ALA 138 -4.660 2.377 17.228 1017 HB1 ALA 138 1HB ALA 138 -3.818 2.083 15.132 1018 HB2 ALA 138 2HB ALA 138 -3.484 3.803 15.333 1019 HB3 ALA 138 3HB ALA 138 -2.200 2.621 15.585 1020 H LEU 139 H LEU 139 -1.318 3.087 18.119 1021 HA LEU 139 HA LEU 139 -0.319 0.502 18.299 1022 HB2 LEU 139 1HB LEU 139 0.840 2.794 18.600 1023 HB3 LEU 139 2HB LEU 139 0.402 2.612 20.298 1024 HG LEU 139 HG LEU 139 2.657 1.904 20.064 1025 HD11 LEU 139 1HD1 LEU 139 2.561 -0.356 20.854 1026 HD12 LEU 139 2HD1 LEU 139 0.972 -0.593 20.127 1027 HD13 LEU 139 3HD1 LEU 139 1.163 0.516 21.485 1028 HD21 LEU 139 1HD2 LEU 139 1.643 0.643 17.594 1029 HD22 LEU 139 2HD2 LEU 139 2.892 -0.242 18.471 1030 HD23 LEU 139 3HD2 LEU 139 3.197 1.408 17.926 1031 H ARG 140 H ARG 140 -1.782 2.459 20.896 1032 HA ARG 140 HA ARG 140 -1.745 0.393 22.823 1033 HB2 ARG 140 1HB ARG 140 -2.762 1.890 24.227 1034 HB3 ARG 140 2HB ARG 140 -2.127 3.005 23.025 1035 HG2 ARG 140 1HG ARG 140 -4.329 2.984 21.900 1036 HG3 ARG 140 2HG ARG 140 -4.945 1.964 23.202 1037 HD2 ARG 140 1HD ARG 140 -4.040 3.857 24.743 1038 HD3 ARG 140 2HD ARG 140 -4.099 4.830 23.275 1039 HE ARG 140 HE ARG 140 -6.559 3.749 23.349 1040 HH11 ARG 140 2HH1 ARG 140 -4.654 5.413 25.741 1041 HH12 ARG 140 1HH1 ARG 140 -6.027 6.077 26.562 1042 HH21 ARG 140 2HH2 ARG 140 -8.375 4.617 24.421 1043 HH22 ARG 140 1HH2 ARG 140 -8.144 5.623 25.811 1044 H ASN 141 H ASN 141 -4.081 1.360 20.389 1045 HA ASN 141 HA ASN 141 -6.313 -0.049 21.290 1046 HB2 ASN 141 1HB ASN 141 -5.381 0.872 18.597 1047 HB3 ASN 141 2HB ASN 141 -6.792 -0.175 18.710 1048 HD21 ASN 141 1HD2 ASN 141 -7.204 2.203 17.643 1049 HD22 ASN 141 2HD2 ASN 141 -8.028 3.259 18.734 1050 H ILE 142 H ILE 142 -3.540 -1.111 19.394 1051 HA ILE 142 HA ILE 142 -4.639 -3.803 19.165 1052 HB ILE 142 HB ILE 142 -2.775 -4.309 17.734 1053 HG12 ILE 142 1HG1 ILE 142 -1.701 -1.532 18.235 1054 HG13 ILE 142 2HG1 ILE 142 -1.131 -2.946 19.114 1055 HG21 ILE 142 1HG2 ILE 142 -4.754 -2.748 17.013 1056 HG22 ILE 142 2HG2 ILE 142 -3.470 -1.552 16.844 1057 HG23 ILE 142 3HG2 ILE 142 -3.405 -3.053 15.920 1058 HD11 ILE 142 1HD1 ILE 142 -0.563 -2.064 16.383 1059 HD12 ILE 142 2HD1 ILE 142 0.402 -3.040 17.492 1060 HD13 ILE 142 3HD1 ILE 142 -0.889 -3.789 16.552 1061 H SER 143 H SER 143 -2.230 -2.018 20.940 1062 HA SER 143 HA SER 143 -0.759 -4.247 21.905 1063 HB2 SER 143 1HB SER 143 -0.084 -1.753 21.881 1064 HB3 SER 143 2HB SER 143 -1.010 -1.631 23.376 1065 HG SER 143 HG SER 143 0.363 -3.097 24.330 1066 H GLY 144 H GLY 144 -3.528 -2.431 23.133 1067 HA2 GLY 144 1HA GLY 144 -3.821 -3.208 25.690 1068 HA3 GLY 144 2HA GLY 144 -5.185 -3.165 24.582 1069 HA PRO 145 HA PRO 145 -3.883 -7.592 25.979 1070 HB2 PRO 145 1HB PRO 145 -5.279 -7.861 28.292 1071 HB3 PRO 145 2HB PRO 145 -3.603 -7.300 28.241 1072 HG2 PRO 145 1HG PRO 145 -6.127 -5.708 28.480 1073 HG3 PRO 145 2HG PRO 145 -4.595 -5.514 29.351 1074 HD2 PRO 145 1HD PRO 145 -5.282 -3.954 27.247 1075 HD3 PRO 145 2HD PRO 145 -3.598 -4.390 27.603 1076 H SER 146 H SER 146 -5.099 -9.084 25.008 1077 HA SER 146 HA SER 146 -7.992 -8.596 24.780 1078 HB2 SER 146 1HB SER 146 -7.869 -10.115 22.795 1079 HB3 SER 146 2HB SER 146 -6.905 -8.649 22.621 1080 HG SER 146 HG SER 146 -5.767 -11.032 23.611 1081 H SER 147 H SER 147 -9.458 -10.293 25.095 1082 HA SER 147 HA SER 147 -8.484 -12.356 26.914 1083 HB2 SER 147 1HB SER 147 -10.848 -12.713 27.460 1084 HB3 SER 147 2HB SER 147 -10.431 -11.006 27.598 1085 HG SER 147 HG SER 147 -12.442 -11.593 26.424 1086 H GLY 148 H GLY 148 -7.767 -14.144 25.939 1087 HA2 GLY 148 1HA GLY 148 -9.572 -15.713 24.348 1088 HA3 GLY 148 2HA GLY 148 -8.237 -15.061 23.408 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -18.654 -39.323 -48.464 2 HA2 GLY 1 1HA GLY 1 -17.741 -37.308 -46.880 3 HA3 GLY 1 2HA GLY 1 -18.594 -38.706 -46.241 4 H SER 2 H SER 2 -16.171 -36.942 -45.431 5 HA SER 2 HA SER 2 -14.523 -39.214 -44.556 6 HB2 SER 2 1HB SER 2 -13.622 -36.678 -45.886 7 HB3 SER 2 2HB SER 2 -12.559 -37.498 -44.743 8 HG SER 2 HG SER 2 -13.424 -38.298 -47.270 9 H SER 3 H SER 3 -12.881 -38.311 -42.817 10 HA SER 3 HA SER 3 -13.650 -36.136 -41.202 11 HB2 SER 3 1HB SER 3 -14.516 -37.486 -39.245 12 HB3 SER 3 2HB SER 3 -15.616 -37.370 -40.617 13 HG SER 3 HG SER 3 -14.654 -39.456 -41.272 14 H GLY 4 H GLY 4 -12.081 -35.676 -39.737 15 HA2 GLY 4 1HA GLY 4 -10.116 -37.791 -39.137 16 HA3 GLY 4 2HA GLY 4 -9.582 -36.224 -39.725 17 H SER 5 H SER 5 -8.716 -35.091 -38.129 18 HA SER 5 HA SER 5 -10.126 -35.019 -35.547 19 HB2 SER 5 1HB SER 5 -7.145 -35.239 -36.008 20 HB3 SER 5 2HB SER 5 -7.865 -34.826 -34.452 21 HG SER 5 HG SER 5 -8.126 -36.878 -34.159 22 H SER 6 H SER 6 -9.619 -33.087 -34.248 23 HA SER 6 HA SER 6 -8.420 -30.820 -35.541 24 HB2 SER 6 1HB SER 6 -11.421 -30.898 -35.154 25 HB3 SER 6 2HB SER 6 -10.502 -29.433 -35.503 26 HG SER 6 HG SER 6 -11.423 -31.244 -37.214 27 H GLY 7 H GLY 7 -8.372 -28.920 -34.157 28 HA2 GLY 7 1HA GLY 7 -9.238 -28.156 -31.866 29 HA3 GLY 7 2HA GLY 7 -8.575 -29.689 -31.319 30 H MET 8 H MET 8 -7.686 -26.656 -32.931 31 HA MET 8 HA MET 8 -5.160 -26.700 -31.455 32 HB2 MET 8 1HB MET 8 -5.418 -26.332 -34.441 33 HB3 MET 8 2HB MET 8 -3.976 -25.900 -33.531 34 HG2 MET 8 1HG MET 8 -3.462 -27.993 -34.346 35 HG3 MET 8 2HG MET 8 -4.028 -28.338 -32.713 36 HE1 MET 8 1HE MET 8 -5.168 -30.401 -36.322 37 HE2 MET 8 2HE MET 8 -5.319 -28.683 -36.689 38 HE3 MET 8 3HE MET 8 -3.829 -29.305 -35.980 39 H THR 9 H THR 9 -4.257 -24.652 -31.066 40 HA THR 9 HA THR 9 -5.561 -22.277 -32.065 41 HB THR 9 HB THR 9 -6.077 -21.393 -29.786 42 HG1 THR 9 1HG THR 9 -5.506 -24.089 -29.078 43 HG21 THR 9 1HG2 THR 9 -7.626 -23.917 -30.326 44 HG22 THR 9 2HG2 THR 9 -7.767 -22.484 -31.344 45 HG23 THR 9 3HG2 THR 9 -8.210 -22.402 -29.639 46 H VAL 10 H VAL 10 -4.082 -20.731 -32.297 47 HA VAL 10 HA VAL 10 -1.657 -20.854 -30.623 48 HB VAL 10 HB VAL 10 -1.886 -20.037 -33.522 49 HG11 VAL 10 1HG1 VAL 10 0.052 -19.319 -31.493 50 HG12 VAL 10 2HG1 VAL 10 0.800 -20.168 -32.848 51 HG13 VAL 10 3HG1 VAL 10 -0.143 -18.705 -33.134 52 HG21 VAL 10 1HG2 VAL 10 -1.128 -22.068 -34.067 53 HG22 VAL 10 2HG2 VAL 10 0.075 -22.061 -32.777 54 HG23 VAL 10 3HG2 VAL 10 -1.585 -22.544 -32.432 55 H SER 11 H SER 11 -1.204 -19.093 -29.471 56 HA SER 11 HA SER 11 -1.686 -16.442 -30.346 57 HB2 SER 11 1HB SER 11 -3.474 -15.763 -28.924 58 HB3 SER 11 2HB SER 11 -4.026 -17.230 -29.732 59 HG SER 11 HG SER 11 -4.488 -17.589 -27.642 60 H GLY 12 H GLY 12 -0.730 -14.900 -29.001 61 HA2 GLY 12 1HA GLY 12 0.181 -15.531 -26.362 62 HA3 GLY 12 2HA GLY 12 1.481 -15.631 -27.541 63 HA PRO 13 HA PRO 13 0.302 -11.136 -26.224 64 HB2 PRO 13 1HB PRO 13 1.710 -10.832 -23.923 65 HB3 PRO 13 2HB PRO 13 0.021 -11.352 -23.954 66 HG2 PRO 13 1HG PRO 13 2.505 -12.999 -23.671 67 HG3 PRO 13 2HG PRO 13 0.971 -13.128 -22.791 68 HD2 PRO 13 1HD PRO 13 1.614 -14.767 -24.848 69 HD3 PRO 13 2HD PRO 13 -0.058 -14.279 -24.503 70 H GLY 14 H GLY 14 1.546 -9.762 -27.326 71 HA2 GLY 14 1HA GLY 14 4.471 -10.186 -27.274 72 HA3 GLY 14 2HA GLY 14 3.604 -9.703 -28.724 73 H THR 15 H THR 15 5.704 -8.198 -27.964 74 HA THR 15 HA THR 15 4.431 -5.778 -26.862 75 HB THR 15 HB THR 15 7.322 -6.606 -26.531 76 HG1 THR 15 1HG THR 15 6.732 -7.336 -24.621 77 HG21 THR 15 1HG2 THR 15 6.277 -4.049 -26.583 78 HG22 THR 15 2HG2 THR 15 7.793 -4.534 -25.822 79 HG23 THR 15 3HG2 THR 15 6.315 -4.441 -24.865 80 HA PRO 16 HA PRO 16 5.465 -4.218 -30.912 81 HB2 PRO 16 1HB PRO 16 4.448 -1.733 -30.510 82 HB3 PRO 16 2HB PRO 16 3.436 -3.142 -30.848 83 HG2 PRO 16 1HG PRO 16 4.059 -1.843 -28.224 84 HG3 PRO 16 2HG PRO 16 2.508 -2.451 -28.831 85 HD2 PRO 16 1HD PRO 16 4.038 -3.848 -27.088 86 HD3 PRO 16 2HD PRO 16 3.015 -4.637 -28.305 87 H GLU 17 H GLU 17 6.263 -1.775 -31.511 88 HA GLU 17 HA GLU 17 8.842 -1.568 -30.193 89 HB2 GLU 17 1HB GLU 17 9.514 -0.207 -32.024 90 HB3 GLU 17 2HB GLU 17 8.562 -1.522 -32.698 91 HG2 GLU 17 1HG GLU 17 6.591 0.067 -32.649 92 HG3 GLU 17 2HG GLU 17 7.761 1.344 -32.317 93 HA PRO 18 HA PRO 18 7.858 1.875 -27.645 94 HB2 PRO 18 1HB PRO 18 10.301 3.045 -27.472 95 HB3 PRO 18 2HB PRO 18 9.897 1.537 -26.643 96 HG2 PRO 18 1HG PRO 18 11.376 1.948 -29.213 97 HG3 PRO 18 2HG PRO 18 11.740 0.839 -27.878 98 HD2 PRO 18 1HD PRO 18 10.520 0.026 -30.154 99 HD3 PRO 18 2HD PRO 18 10.185 -0.712 -28.575 100 H ARG 19 H ARG 19 6.494 2.956 -29.194 101 HA ARG 19 HA ARG 19 7.730 4.890 -30.974 102 HB2 ARG 19 1HB ARG 19 5.899 3.935 -32.021 103 HB3 ARG 19 2HB ARG 19 4.953 3.872 -30.540 104 HG2 ARG 19 1HG ARG 19 4.262 6.053 -30.724 105 HG3 ARG 19 2HG ARG 19 5.655 6.524 -31.700 106 HD2 ARG 19 1HD ARG 19 4.649 4.918 -33.465 107 HD3 ARG 19 2HD ARG 19 3.166 5.080 -32.526 108 HE ARG 19 HE ARG 19 4.216 7.633 -33.086 109 HH11 ARG 19 2HH1 ARG 19 2.642 4.950 -34.649 110 HH12 ARG 19 1HH1 ARG 19 1.905 5.927 -35.874 111 HH21 ARG 19 2HH2 ARG 19 3.251 8.931 -34.694 112 HH22 ARG 19 1HH2 ARG 19 2.252 8.192 -35.899 113 HA PRO 20 HA PRO 20 7.547 8.187 -28.037 114 HB2 PRO 20 1HB PRO 20 7.914 10.238 -29.777 115 HB3 PRO 20 2HB PRO 20 9.221 9.162 -29.272 116 HG2 PRO 20 1HG PRO 20 7.585 9.107 -31.777 117 HG3 PRO 20 2HG PRO 20 9.332 8.879 -31.577 118 HD2 PRO 20 1HD PRO 20 7.619 6.806 -31.895 119 HD3 PRO 20 2HD PRO 20 9.097 6.683 -30.919 120 H ALA 21 H ALA 21 6.099 9.711 -27.295 121 HA ALA 21 HA ALA 21 3.988 10.748 -28.937 122 HB1 ALA 21 1HB ALA 21 2.960 8.643 -28.634 123 HB2 ALA 21 2HB ALA 21 3.378 8.601 -26.920 124 HB3 ALA 21 3HB ALA 21 2.164 9.740 -27.505 125 H THR 22 H THR 22 2.593 12.237 -27.764 126 HA THR 22 HA THR 22 3.799 14.112 -26.274 127 HB THR 22 HB THR 22 1.493 14.352 -27.067 128 HG1 THR 22 1HG THR 22 1.877 15.868 -25.563 129 HG21 THR 22 1HG2 THR 22 0.716 12.090 -26.408 130 HG22 THR 22 2HG2 THR 22 -0.373 13.373 -25.880 131 HG23 THR 22 3HG2 THR 22 0.720 12.612 -24.724 132 HA PRO 23 HA PRO 23 4.889 12.394 -22.364 133 HB2 PRO 23 1HB PRO 23 5.144 14.701 -20.957 134 HB3 PRO 23 2HB PRO 23 6.328 14.173 -22.158 135 HG2 PRO 23 1HG PRO 23 4.112 16.167 -22.432 136 HG3 PRO 23 2HG PRO 23 5.783 16.263 -23.018 137 HD2 PRO 23 1HD PRO 23 3.710 15.600 -24.629 138 HD3 PRO 23 2HD PRO 23 5.346 14.949 -24.861 139 H GLY 24 H GLY 24 3.723 11.538 -20.755 140 HA2 GLY 24 1HA GLY 24 2.272 11.976 -18.818 141 HA3 GLY 24 2HA GLY 24 1.300 12.986 -19.879 142 H ALA 25 H ALA 25 0.929 11.474 -22.080 143 HA ALA 25 HA ALA 25 -1.168 9.803 -21.438 144 HB1 ALA 25 1HB ALA 25 -1.001 8.932 -23.720 145 HB2 ALA 25 2HB ALA 25 -0.815 10.686 -23.678 146 HB3 ALA 25 3HB ALA 25 0.601 9.654 -23.875 147 H SER 26 H SER 26 -1.081 8.081 -20.146 148 HA SER 26 HA SER 26 -0.508 6.057 -19.281 149 HB2 SER 26 1HB SER 26 0.957 5.683 -21.904 150 HB3 SER 26 2HB SER 26 0.505 4.406 -20.776 151 HG SER 26 HG SER 26 -1.401 6.144 -21.937 152 H SER 27 H SER 27 1.094 8.293 -18.620 153 HA SER 27 HA SER 27 3.794 7.146 -18.432 154 HB2 SER 27 1HB SER 27 2.764 9.972 -18.234 155 HB3 SER 27 2HB SER 27 4.372 9.532 -17.660 156 HG SER 27 HG SER 27 4.892 9.873 -19.674 157 H VAL 28 H VAL 28 4.367 6.236 -16.583 158 HA VAL 28 HA VAL 28 2.914 5.799 -14.367 159 HB VAL 28 HB VAL 28 5.051 4.754 -14.567 160 HG11 VAL 28 1HG1 VAL 28 6.988 5.791 -15.014 161 HG12 VAL 28 2HG1 VAL 28 5.971 7.176 -15.417 162 HG13 VAL 28 3HG1 VAL 28 6.702 7.053 -13.816 163 HG21 VAL 28 1HG2 VAL 28 5.069 4.547 -12.357 164 HG22 VAL 28 2HG2 VAL 28 5.979 6.053 -12.232 165 HG23 VAL 28 3HG2 VAL 28 4.216 6.081 -12.186 166 H GLU 29 H GLU 29 4.798 8.718 -15.004 167 HA GLU 29 HA GLU 29 4.384 9.910 -12.464 168 HB2 GLU 29 1HB GLU 29 6.173 10.550 -14.104 169 HB3 GLU 29 2HB GLU 29 4.929 11.319 -15.080 170 HG2 GLU 29 1HG GLU 29 5.853 13.070 -13.873 171 HG3 GLU 29 2HG GLU 29 4.382 12.676 -12.983 172 H GLN 30 H GLN 30 2.680 10.134 -15.554 173 HA GLN 30 HA GLN 30 0.748 12.004 -14.471 174 HB2 GLN 30 1HB GLN 30 1.280 12.423 -16.728 175 HB3 GLN 30 2HB GLN 30 1.142 10.725 -17.165 176 HG2 GLN 30 1HG GLN 30 -0.744 11.833 -18.061 177 HG3 GLN 30 2HG GLN 30 -1.306 10.890 -16.681 178 HE21 GLN 30 1HE2 GLN 30 -1.551 12.062 -14.635 179 HE22 GLN 30 2HE2 GLN 30 -2.075 13.707 -14.685 180 H LEU 31 H LEU 31 0.387 8.884 -16.166 181 HA LEU 31 HA LEU 31 -2.174 8.267 -15.617 182 HB2 LEU 31 1HB LEU 31 -1.683 6.089 -16.087 183 HB3 LEU 31 2HB LEU 31 -0.243 6.885 -16.719 184 HG LEU 31 HG LEU 31 0.758 6.346 -14.377 185 HD11 LEU 31 1HD1 LEU 31 -0.500 3.884 -14.063 186 HD12 LEU 31 2HD1 LEU 31 -1.812 5.046 -14.249 187 HD13 LEU 31 3HD1 LEU 31 -0.603 5.277 -12.987 188 HD21 LEU 31 1HD2 LEU 31 1.284 5.364 -16.691 189 HD22 LEU 31 2HD2 LEU 31 0.310 3.987 -16.173 190 HD23 LEU 31 3HD2 LEU 31 1.756 4.436 -15.267 191 H ARG 32 H ARG 32 0.419 8.392 -13.311 192 HA ARG 32 HA ARG 32 -0.305 6.880 -11.213 193 HB2 ARG 32 1HB ARG 32 1.458 8.837 -11.451 194 HB3 ARG 32 2HB ARG 32 0.220 9.756 -10.605 195 HG2 ARG 32 1HG ARG 32 0.478 8.588 -8.664 196 HG3 ARG 32 2HG ARG 32 1.015 7.123 -9.488 197 HD2 ARG 32 1HD ARG 32 2.990 7.821 -8.562 198 HD3 ARG 32 2HD ARG 32 3.072 8.627 -10.128 199 HE ARG 32 HE ARG 32 1.845 10.237 -8.099 200 HH11 ARG 32 2HH1 ARG 32 4.879 9.220 -9.471 201 HH12 ARG 32 1HH1 ARG 32 5.740 10.627 -8.940 202 HH21 ARG 32 2HH2 ARG 32 2.967 12.093 -7.395 203 HH22 ARG 32 1HH2 ARG 32 4.651 12.260 -7.758 204 H LYS 33 H LYS 33 -1.762 10.041 -11.953 205 HA LYS 33 HA LYS 33 -3.566 10.175 -9.850 206 HB2 LYS 33 1HB LYS 33 -4.013 11.157 -12.675 207 HB3 LYS 33 2HB LYS 33 -4.851 11.720 -11.235 208 HG2 LYS 33 1HG LYS 33 -1.873 11.938 -11.517 209 HG3 LYS 33 2HG LYS 33 -2.969 13.169 -12.150 210 HD2 LYS 33 1HD LYS 33 -3.314 12.281 -9.330 211 HD3 LYS 33 2HD LYS 33 -1.956 13.341 -9.716 212 HE2 LYS 33 1HE LYS 33 -4.766 13.966 -10.575 213 HE3 LYS 33 2HE LYS 33 -4.145 14.442 -8.995 214 HZ1 LYS 33 1HZ LYS 33 -3.278 16.218 -9.963 215 HZ2 LYS 33 2HZ LYS 33 -3.750 15.686 -11.497 216 HZ3 LYS 33 3HZ LYS 33 -2.252 15.220 -10.865 217 H GLU 34 H GLU 34 -4.032 8.760 -13.080 218 HA GLU 34 HA GLU 34 -6.622 8.038 -13.096 219 HB2 GLU 34 1HB GLU 34 -4.945 7.444 -14.840 220 HB3 GLU 34 2HB GLU 34 -4.383 6.137 -13.807 221 HG2 GLU 34 1HG GLU 34 -5.801 4.970 -15.130 222 HG3 GLU 34 2HG GLU 34 -6.936 5.464 -13.875 223 H GLY 35 H GLY 35 -4.106 6.553 -11.135 224 HA2 GLY 35 1HA GLY 35 -5.747 4.411 -10.180 225 HA3 GLY 35 2HA GLY 35 -4.198 4.910 -9.518 226 H ASN 36 H ASN 36 -4.420 7.252 -8.475 227 HA ASN 36 HA ASN 36 -5.903 6.943 -6.142 228 HB2 ASN 36 1HB ASN 36 -5.137 9.640 -7.248 229 HB3 ASN 36 2HB ASN 36 -5.229 9.135 -5.563 230 HD21 ASN 36 1HD2 ASN 36 -3.095 10.130 -7.615 231 HD22 ASN 36 2HD2 ASN 36 -1.734 9.132 -7.243 232 H GLU 37 H GLU 37 -6.604 9.038 -8.940 233 HA GLU 37 HA GLU 37 -8.915 10.234 -8.184 234 HB2 GLU 37 1HB GLU 37 -8.136 9.074 -10.850 235 HB3 GLU 37 2HB GLU 37 -9.642 9.953 -10.633 236 HG2 GLU 37 1HG GLU 37 -8.059 11.775 -9.605 237 HG3 GLU 37 2HG GLU 37 -6.841 10.943 -10.570 238 H LEU 38 H LEU 38 -8.508 6.873 -9.103 239 HA LEU 38 HA LEU 38 -11.342 6.325 -9.072 240 HB2 LEU 38 1HB LEU 38 -8.905 4.578 -9.314 241 HB3 LEU 38 2HB LEU 38 -10.545 3.933 -9.263 242 HG LEU 38 HG LEU 38 -9.801 5.964 -11.330 243 HD11 LEU 38 1HD1 LEU 38 -8.134 4.008 -11.233 244 HD12 LEU 38 2HD1 LEU 38 -8.894 4.388 -12.778 245 HD13 LEU 38 3HD1 LEU 38 -9.477 3.027 -11.820 246 HD21 LEU 38 1HD2 LEU 38 -11.865 5.547 -12.023 247 HD22 LEU 38 2HD2 LEU 38 -12.089 4.429 -10.677 248 HD23 LEU 38 3HD2 LEU 38 -11.471 3.839 -12.221 249 H PHE 39 H PHE 39 -8.660 6.145 -6.864 250 HA PHE 39 HA PHE 39 -9.807 4.377 -4.978 251 HB2 PHE 39 1HB PHE 39 -7.362 5.133 -5.170 252 HB3 PHE 39 2HB PHE 39 -7.864 6.576 -4.295 253 HD1 PHE 39 1HD PHE 39 -7.664 2.889 -4.082 254 HD2 PHE 39 2HD PHE 39 -8.113 6.553 -1.964 255 HE1 PHE 39 1HE PHE 39 -7.382 1.688 -1.953 256 HE2 PHE 39 2HE PHE 39 -7.831 5.359 0.168 257 HZ PHE 39 HZ PHE 39 -7.465 2.924 0.176 258 H LYS 40 H LYS 40 -9.740 7.918 -5.196 259 HA LYS 40 HA LYS 40 -11.135 8.426 -2.806 260 HB2 LYS 40 1HB LYS 40 -11.576 10.661 -3.789 261 HB3 LYS 40 2HB LYS 40 -9.888 10.182 -3.901 262 HG2 LYS 40 1HG LYS 40 -10.498 9.370 -6.265 263 HG3 LYS 40 2HG LYS 40 -11.939 10.370 -6.071 264 HD2 LYS 40 1HD LYS 40 -10.130 12.158 -5.310 265 HD3 LYS 40 2HD LYS 40 -9.086 11.164 -6.329 266 HE2 LYS 40 1HE LYS 40 -10.421 11.549 -8.237 267 HE3 LYS 40 2HE LYS 40 -11.747 12.199 -7.274 268 HZ1 LYS 40 1HZ LYS 40 -9.316 13.496 -8.197 269 HZ2 LYS 40 2HZ LYS 40 -9.811 13.893 -6.629 270 HZ3 LYS 40 3HZ LYS 40 -10.857 14.143 -7.935 271 H CYS 41 H CYS 41 -12.191 6.917 -5.575 272 HA CYS 41 HA CYS 41 -14.965 7.814 -5.250 273 HB2 CYS 41 1HB CYS 41 -13.537 6.344 -7.460 274 HB3 CYS 41 2HB CYS 41 -15.293 6.435 -7.386 275 HG CYS 41 HG CYS 41 -14.784 8.351 -9.182 276 H GLY 42 H GLY 42 -12.851 5.145 -4.701 277 HA2 GLY 42 1HA GLY 42 -13.491 3.476 -3.083 278 HA3 GLY 42 2HA GLY 42 -15.142 3.605 -3.670 279 H ASP 43 H ASP 43 -12.933 3.640 -6.206 280 HA ASP 43 HA ASP 43 -13.653 0.898 -6.901 281 HB2 ASP 43 1HB ASP 43 -12.578 3.234 -8.459 282 HB3 ASP 43 2HB ASP 43 -12.519 1.602 -9.121 283 H TYR 44 H TYR 44 -12.285 -0.348 -5.653 284 HA TYR 44 HA TYR 44 -9.457 0.144 -5.560 285 HB2 TYR 44 1HB TYR 44 -10.849 -2.406 -4.748 286 HB3 TYR 44 2HB TYR 44 -9.324 -1.764 -4.148 287 HD1 TYR 44 1HD TYR 44 -9.939 0.988 -3.485 288 HD2 TYR 44 2HD TYR 44 -12.320 -2.499 -2.964 289 HE1 TYR 44 1HE TYR 44 -11.128 2.084 -1.632 290 HE2 TYR 44 2HE TYR 44 -13.516 -1.413 -1.110 291 HH TYR 44 HH TYR 44 -12.943 1.963 -0.281 292 H GLY 45 H GLY 45 -11.619 -1.983 -7.342 293 HA2 GLY 45 1HA GLY 45 -9.727 -3.734 -8.433 294 HA3 GLY 45 2HA GLY 45 -11.270 -3.327 -9.168 295 H GLY 46 H GLY 46 -10.726 -0.514 -9.464 296 HA2 GLY 46 1HA GLY 46 -9.103 -0.688 -11.874 297 HA3 GLY 46 2HA GLY 46 -10.108 0.669 -11.389 298 H ALA 47 H ALA 47 -9.240 1.536 -9.087 299 HA ALA 47 HA ALA 47 -7.079 3.088 -9.492 300 HB1 ALA 47 1HB ALA 47 -7.499 1.834 -6.797 301 HB2 ALA 47 2HB ALA 47 -6.951 3.466 -7.182 302 HB3 ALA 47 3HB ALA 47 -8.630 3.008 -7.468 303 H LEU 48 H LEU 48 -6.988 -0.241 -8.293 304 HA LEU 48 HA LEU 48 -4.204 -0.336 -7.822 305 HB2 LEU 48 1HB LEU 48 -5.857 -1.932 -6.900 306 HB3 LEU 48 2HB LEU 48 -6.060 -2.608 -8.515 307 HG LEU 48 HG LEU 48 -4.548 -3.827 -6.806 308 HD11 LEU 48 1HD1 LEU 48 -3.518 -3.243 -9.578 309 HD12 LEU 48 2HD1 LEU 48 -4.787 -4.403 -9.187 310 HD13 LEU 48 3HD1 LEU 48 -3.146 -4.657 -8.592 311 HD21 LEU 48 1HD2 LEU 48 -3.279 -1.755 -6.225 312 HD22 LEU 48 2HD2 LEU 48 -2.573 -1.799 -7.841 313 HD23 LEU 48 3HD2 LEU 48 -2.269 -3.118 -6.709 314 H ALA 49 H ALA 49 -6.186 -1.213 -10.622 315 HA ALA 49 HA ALA 49 -4.274 -2.388 -12.233 316 HB1 ALA 49 1HB ALA 49 -5.749 -1.032 -14.063 317 HB2 ALA 49 2HB ALA 49 -6.238 -2.550 -13.309 318 HB3 ALA 49 3HB ALA 49 -6.831 -1.017 -12.670 319 H ALA 50 H ALA 50 -5.033 1.063 -11.885 320 HA ALA 50 HA ALA 50 -3.280 2.051 -13.820 321 HB1 ALA 50 1HB ALA 50 -5.105 3.231 -12.361 322 HB2 ALA 50 2HB ALA 50 -3.737 3.584 -11.304 323 HB3 ALA 50 3HB ALA 50 -3.725 4.141 -12.978 324 H TYR 51 H TYR 51 -2.751 1.619 -10.323 325 HA TYR 51 HA TYR 51 -0.154 2.549 -10.161 326 HB2 TYR 51 1HB TYR 51 -1.440 0.281 -8.627 327 HB3 TYR 51 2HB TYR 51 0.075 1.058 -8.180 328 HD1 TYR 51 1HD TYR 51 -0.595 3.902 -8.720 329 HD2 TYR 51 2HD TYR 51 -2.871 0.825 -6.860 330 HE1 TYR 51 1HE TYR 51 -1.838 5.599 -7.446 331 HE2 TYR 51 2HE TYR 51 -4.121 2.514 -5.582 332 HH TYR 51 HH TYR 51 -3.356 5.208 -4.855 333 H THR 52 H THR 52 -1.316 -0.650 -11.100 334 HA THR 52 HA THR 52 1.066 -2.055 -11.164 335 HB THR 52 HB THR 52 -1.206 -2.303 -13.146 336 HG1 THR 52 1HG THR 52 -2.268 -3.198 -11.555 337 HG21 THR 52 1HG2 THR 52 1.139 -4.039 -12.460 338 HG22 THR 52 2HG2 THR 52 0.510 -3.590 -14.045 339 HG23 THR 52 3HG2 THR 52 -0.361 -4.755 -13.049 340 H GLN 53 H GLN 53 -0.452 -0.402 -13.943 341 HA GLN 53 HA GLN 53 1.540 -0.739 -15.797 342 HB2 GLN 53 1HB GLN 53 0.157 1.910 -15.620 343 HB3 GLN 53 2HB GLN 53 0.543 0.951 -17.042 344 HG2 GLN 53 1HG GLN 53 -1.161 -0.731 -15.931 345 HG3 GLN 53 2HG GLN 53 -1.755 0.749 -15.180 346 HE21 GLN 53 1HE2 GLN 53 -2.388 2.495 -16.594 347 HE22 GLN 53 2HE2 GLN 53 -3.010 2.136 -18.165 348 H ALA 54 H ALA 54 1.184 2.117 -13.687 349 HA ALA 54 HA ALA 54 3.417 3.524 -14.337 350 HB1 ALA 54 1HB ALA 54 1.600 3.511 -12.198 351 HB2 ALA 54 2HB ALA 54 3.210 3.508 -11.478 352 HB3 ALA 54 3HB ALA 54 2.759 4.771 -12.624 353 H LEU 55 H LEU 55 3.311 1.000 -11.816 354 HA LEU 55 HA LEU 55 6.029 1.002 -11.204 355 HB2 LEU 55 1HB LEU 55 3.806 -0.945 -10.912 356 HB3 LEU 55 2HB LEU 55 5.451 -1.536 -10.685 357 HG LEU 55 HG LEU 55 4.306 0.789 -9.149 358 HD11 LEU 55 1HD1 LEU 55 4.284 -2.151 -8.527 359 HD12 LEU 55 2HD1 LEU 55 2.930 -1.022 -8.538 360 HD13 LEU 55 3HD1 LEU 55 4.159 -0.911 -7.279 361 HD21 LEU 55 1HD2 LEU 55 6.242 -0.405 -7.639 362 HD22 LEU 55 2HD2 LEU 55 6.479 1.014 -8.659 363 HD23 LEU 55 3HD2 LEU 55 6.883 -0.590 -9.271 364 H GLY 56 H GLY 56 4.288 -0.497 -13.837 365 HA2 GLY 56 1HA GLY 56 6.524 -2.145 -14.644 366 HA3 GLY 56 2HA GLY 56 5.002 -1.955 -15.501 367 H LEU 57 H LEU 57 7.059 0.707 -14.491 368 HA LEU 57 HA LEU 57 7.980 1.078 -17.245 369 HB2 LEU 57 1HB LEU 57 6.659 3.243 -15.616 370 HB3 LEU 57 2HB LEU 57 7.361 3.431 -17.222 371 HG LEU 57 HG LEU 57 4.989 1.672 -16.611 372 HD11 LEU 57 1HD1 LEU 57 3.985 3.675 -16.286 373 HD12 LEU 57 2HD1 LEU 57 3.948 3.664 -18.049 374 HD13 LEU 57 3HD1 LEU 57 5.205 4.563 -17.200 375 HD21 LEU 57 1HD2 LEU 57 5.198 0.948 -18.696 376 HD22 LEU 57 2HD2 LEU 57 6.710 1.845 -18.837 377 HD23 LEU 57 3HD2 LEU 57 5.186 2.603 -19.304 378 H ASP 58 H ASP 58 9.907 2.213 -17.452 379 HA ASP 58 HA ASP 58 11.732 2.011 -15.333 380 HB2 ASP 58 1HB ASP 58 12.024 3.836 -17.723 381 HB3 ASP 58 2HB ASP 58 13.310 3.100 -16.770 382 H ALA 59 H ALA 59 10.485 3.085 -13.633 383 HA ALA 59 HA ALA 59 10.676 6.021 -13.746 384 HB1 ALA 59 1HB ALA 59 8.410 5.166 -13.405 385 HB2 ALA 59 2HB ALA 59 8.950 4.310 -11.960 386 HB3 ALA 59 3HB ALA 59 8.976 6.072 -12.002 387 H THR 60 H THR 60 11.324 7.136 -11.793 388 HA THR 60 HA THR 60 13.727 6.277 -10.732 389 HB THR 60 HB THR 60 13.005 7.918 -8.765 390 HG1 THR 60 1HG THR 60 11.098 8.754 -9.093 391 HG21 THR 60 1HG2 THR 60 13.483 9.832 -10.494 392 HG22 THR 60 2HG2 THR 60 13.819 8.485 -11.582 393 HG23 THR 60 3HG2 THR 60 14.740 8.663 -10.089 394 HA PRO 61 HA PRO 61 12.891 3.424 -7.504 395 HB2 PRO 61 1HB PRO 61 14.684 4.159 -5.603 396 HB3 PRO 61 2HB PRO 61 15.153 3.359 -7.108 397 HG2 PRO 61 1HG PRO 61 15.246 6.266 -6.401 398 HG3 PRO 61 2HG PRO 61 16.452 5.282 -7.251 399 HD2 PRO 61 1HD PRO 61 14.739 6.929 -8.549 400 HD3 PRO 61 2HD PRO 61 15.328 5.412 -9.259 401 H GLN 62 H GLN 62 12.922 6.831 -6.625 402 HA GLN 62 HA GLN 62 11.654 6.467 -4.090 403 HB2 GLN 62 1HB GLN 62 13.082 8.443 -4.776 404 HB3 GLN 62 2HB GLN 62 11.715 8.997 -5.734 405 HG2 GLN 62 1HG GLN 62 10.357 8.959 -3.621 406 HG3 GLN 62 2HG GLN 62 11.865 8.683 -2.751 407 HE21 GLN 62 1HE2 GLN 62 10.034 10.922 -2.566 408 HE22 GLN 62 2HE2 GLN 62 10.947 12.334 -2.962 409 H ASP 63 H ASP 63 10.563 6.741 -7.354 410 HA ASP 63 HA ASP 63 7.851 7.449 -6.643 411 HB2 ASP 63 1HB ASP 63 9.326 6.928 -9.186 412 HB3 ASP 63 2HB ASP 63 7.571 6.777 -9.192 413 H GLN 64 H GLN 64 9.599 4.571 -7.722 414 HA GLN 64 HA GLN 64 7.459 2.844 -8.090 415 HB2 GLN 64 1HB GLN 64 10.307 2.411 -7.246 416 HB3 GLN 64 2HB GLN 64 9.187 1.058 -7.335 417 HG2 GLN 64 1HG GLN 64 8.962 1.225 -9.632 418 HG3 GLN 64 2HG GLN 64 9.522 2.896 -9.665 419 HE21 GLN 64 1HE2 GLN 64 11.654 3.316 -9.880 420 HE22 GLN 64 2HE2 GLN 64 12.869 2.103 -10.065 421 H ALA 65 H ALA 65 9.224 3.631 -5.123 422 HA ALA 65 HA ALA 65 7.937 1.790 -3.435 423 HB1 ALA 65 1HB ALA 65 8.825 4.430 -2.377 424 HB2 ALA 65 2HB ALA 65 9.034 2.814 -1.701 425 HB3 ALA 65 3HB ALA 65 10.026 3.334 -3.063 426 H VAL 66 H VAL 66 7.188 5.176 -4.196 427 HA VAL 66 HA VAL 66 5.056 5.540 -2.443 428 HB VAL 66 HB VAL 66 5.463 6.735 -5.188 429 HG11 VAL 66 1HG1 VAL 66 3.291 7.313 -4.886 430 HG12 VAL 66 2HG1 VAL 66 3.372 7.134 -3.132 431 HG13 VAL 66 3HG1 VAL 66 4.021 8.582 -3.903 432 HG21 VAL 66 1HG2 VAL 66 6.976 8.077 -4.263 433 HG22 VAL 66 2HG2 VAL 66 5.879 8.497 -2.947 434 HG23 VAL 66 3HG2 VAL 66 6.906 7.069 -2.818 435 H LEU 67 H LEU 67 5.231 3.795 -5.439 436 HA LEU 67 HA LEU 67 2.375 3.646 -5.805 437 HB2 LEU 67 1HB LEU 67 4.625 2.136 -7.126 438 HB3 LEU 67 2HB LEU 67 2.933 2.063 -7.613 439 HG LEU 67 HG LEU 67 4.471 4.645 -7.618 440 HD11 LEU 67 1HD1 LEU 67 5.674 2.978 -8.992 441 HD12 LEU 67 2HD1 LEU 67 4.992 4.297 -9.943 442 HD13 LEU 67 3HD1 LEU 67 4.199 2.722 -9.924 443 HD21 LEU 67 1HD2 LEU 67 1.998 3.668 -9.042 444 HD22 LEU 67 2HD2 LEU 67 2.772 5.228 -9.320 445 HD23 LEU 67 3HD2 LEU 67 2.073 4.859 -7.743 446 H HIS 68 H HIS 68 4.948 1.472 -4.705 447 HA HIS 68 HA HIS 68 3.478 -0.854 -4.379 448 HB2 HIS 68 1HB HIS 68 5.869 0.257 -2.935 449 HB3 HIS 68 2HB HIS 68 5.157 -1.278 -2.447 450 HD1 HIS 68 1HD HIS 68 4.687 -2.756 -4.951 451 HD2 HIS 68 2HD HIS 68 8.010 -0.311 -4.466 452 HE1 HIS 68 1HE HIS 68 6.378 -3.582 -6.618 453 HE2 HIS 68 2HE HIS 68 8.411 -2.143 -6.247 454 H ARG 69 H ARG 69 4.013 1.758 -2.023 455 HA ARG 69 HA ARG 69 2.519 0.648 0.069 456 HB2 ARG 69 1HB ARG 69 2.462 2.899 1.005 457 HB3 ARG 69 2HB ARG 69 4.058 2.539 0.363 458 HG2 ARG 69 1HG ARG 69 3.755 3.948 -1.486 459 HG3 ARG 69 2HG ARG 69 2.010 4.039 -1.233 460 HD2 ARG 69 1HD ARG 69 2.399 5.256 0.868 461 HD3 ARG 69 2HD ARG 69 4.136 5.193 0.570 462 HE ARG 69 HE ARG 69 2.568 6.416 -1.530 463 HH11 ARG 69 2HH1 ARG 69 4.411 6.893 1.384 464 HH12 ARG 69 1HH1 ARG 69 4.731 8.566 1.063 465 HH21 ARG 69 2HH2 ARG 69 2.982 8.616 -1.964 466 HH22 ARG 69 1HH2 ARG 69 3.917 9.545 -0.841 467 H ASN 70 H ASN 70 1.546 2.301 -2.821 468 HA ASN 70 HA ASN 70 -1.100 2.945 -1.929 469 HB2 ASN 70 1HB ASN 70 0.090 2.819 -4.709 470 HB3 ASN 70 2HB ASN 70 -1.515 3.439 -4.336 471 HD21 ASN 70 1HD2 ASN 70 0.756 4.789 -5.542 472 HD22 ASN 70 2HD2 ASN 70 1.105 6.145 -4.530 473 H ARG 71 H ARG 71 0.226 0.506 -4.163 474 HA ARG 71 HA ARG 71 -2.054 -0.814 -4.888 475 HB2 ARG 71 1HB ARG 71 0.702 -1.876 -4.296 476 HB3 ARG 71 2HB ARG 71 -0.580 -2.908 -4.913 477 HG2 ARG 71 1HG ARG 71 -0.793 -1.348 -6.853 478 HG3 ARG 71 2HG ARG 71 0.645 -0.515 -6.259 479 HD2 ARG 71 1HD ARG 71 1.186 -2.146 -8.010 480 HD3 ARG 71 2HD ARG 71 1.943 -2.556 -6.471 481 HE ARG 71 HE ARG 71 -0.503 -3.902 -6.634 482 HH11 ARG 71 2HH1 ARG 71 2.618 -3.881 -8.177 483 HH12 ARG 71 1HH1 ARG 71 2.564 -5.560 -8.602 484 HH21 ARG 71 2HH2 ARG 71 -0.586 -6.113 -7.188 485 HH22 ARG 71 1HH2 ARG 71 0.741 -6.828 -8.040 486 H ALA 72 H ALA 72 -0.176 -1.298 -1.918 487 HA ALA 72 HA ALA 72 -1.383 -3.456 -0.790 488 HB1 ALA 72 1HB ALA 72 -0.594 -0.899 0.599 489 HB2 ALA 72 2HB ALA 72 -0.933 -2.428 1.412 490 HB3 ALA 72 3HB ALA 72 0.432 -2.303 0.302 491 H ALA 73 H ALA 73 -2.514 -0.104 -0.296 492 HA ALA 73 HA ALA 73 -4.749 -0.466 1.167 493 HB1 ALA 73 1HB ALA 73 -4.548 1.731 0.702 494 HB2 ALA 73 2HB ALA 73 -4.011 1.443 -0.954 495 HB3 ALA 73 3HB ALA 73 -5.727 1.355 -0.555 496 H CYS 74 H CYS 74 -4.797 -0.562 -2.403 497 HA CYS 74 HA CYS 74 -7.378 -1.292 -2.848 498 HB2 CYS 74 1HB CYS 74 -5.120 -2.618 -4.340 499 HB3 CYS 74 2HB CYS 74 -6.705 -2.157 -4.949 500 HG CYS 74 HG CYS 74 -6.228 0.506 -5.133 501 H HIS 75 H HIS 75 -4.698 -3.579 -2.304 502 HA HIS 75 HA HIS 75 -6.180 -5.928 -2.360 503 HB2 HIS 75 1HB HIS 75 -3.596 -5.122 -1.099 504 HB3 HIS 75 2HB HIS 75 -4.299 -6.672 -0.648 505 HD1 HIS 75 1HD HIS 75 -5.401 -7.399 -3.505 506 HD2 HIS 75 2HD HIS 75 -1.549 -6.095 -2.654 507 HE1 HIS 75 1HE HIS 75 -3.973 -8.238 -5.397 508 HE2 HIS 75 2HE HIS 75 -1.633 -7.510 -4.817 509 H LEU 76 H LEU 76 -5.169 -4.108 0.540 510 HA LEU 76 HA LEU 76 -6.319 -5.487 2.538 511 HB2 LEU 76 1HB LEU 76 -6.108 -2.552 2.051 512 HB3 LEU 76 2HB LEU 76 -6.989 -3.127 3.465 513 HG LEU 76 HG LEU 76 -4.112 -3.803 2.865 514 HD11 LEU 76 1HD1 LEU 76 -4.830 -1.330 3.408 515 HD12 LEU 76 2HD1 LEU 76 -3.407 -2.055 4.156 516 HD13 LEU 76 3HD1 LEU 76 -4.922 -1.959 5.053 517 HD21 LEU 76 1HD2 LEU 76 -6.055 -4.742 4.794 518 HD22 LEU 76 2HD2 LEU 76 -4.639 -4.042 5.579 519 HD23 LEU 76 3HD2 LEU 76 -4.446 -5.359 4.421 520 H LYS 77 H LYS 77 -8.071 -3.128 0.527 521 HA LYS 77 HA LYS 77 -10.590 -3.505 1.708 522 HB2 LYS 77 1HB LYS 77 -10.056 -2.734 -1.164 523 HB3 LYS 77 2HB LYS 77 -11.497 -2.377 -0.222 524 HG2 LYS 77 1HG LYS 77 -8.815 -1.370 0.641 525 HG3 LYS 77 2HG LYS 77 -9.757 -0.520 -0.586 526 HD2 LYS 77 1HD LYS 77 -11.588 -0.228 0.949 527 HD3 LYS 77 2HD LYS 77 -10.786 -1.231 2.160 528 HE2 LYS 77 1HE LYS 77 -10.366 0.950 2.872 529 HE3 LYS 77 2HE LYS 77 -8.885 0.487 2.035 530 HZ1 LYS 77 1HZ LYS 77 -10.420 2.707 1.544 531 HZ2 LYS 77 2HZ LYS 77 -10.761 1.670 0.252 532 HZ3 LYS 77 3HZ LYS 77 -9.163 2.118 0.577 533 H LEU 78 H LEU 78 -8.924 -5.225 -0.857 534 HA LEU 78 HA LEU 78 -11.264 -6.904 -1.346 535 HB2 LEU 78 1HB LEU 78 -8.565 -7.046 -2.670 536 HB3 LEU 78 2HB LEU 78 -10.068 -7.782 -3.221 537 HG LEU 78 HG LEU 78 -9.795 -4.803 -3.014 538 HD11 LEU 78 1HD1 LEU 78 -9.412 -5.258 -5.642 539 HD12 LEU 78 2HD1 LEU 78 -8.521 -6.613 -4.952 540 HD13 LEU 78 3HD1 LEU 78 -8.107 -4.962 -4.493 541 HD21 LEU 78 1HD2 LEU 78 -11.395 -6.418 -4.971 542 HD22 LEU 78 2HD2 LEU 78 -11.623 -4.743 -4.467 543 HD23 LEU 78 3HD2 LEU 78 -12.004 -6.059 -3.355 544 H GLU 79 H GLU 79 -10.146 -7.144 1.209 545 HA GLU 79 HA GLU 79 -9.127 -8.604 2.668 546 HB2 GLU 79 1HB GLU 79 -10.955 -10.153 0.899 547 HB3 GLU 79 2HB GLU 79 -9.929 -11.055 2.006 548 HG2 GLU 79 1HG GLU 79 -10.855 -9.873 3.893 549 HG3 GLU 79 2HG GLU 79 -11.812 -8.854 2.820 550 H ASP 80 H ASP 80 -7.446 -7.900 0.419 551 HA ASP 80 HA ASP 80 -5.987 -10.393 -0.093 552 HB2 ASP 80 1HB ASP 80 -6.129 -7.741 -1.458 553 HB3 ASP 80 2HB ASP 80 -4.651 -8.685 -1.614 554 H TYR 81 H TYR 81 -5.863 -9.375 2.510 555 HA TYR 81 HA TYR 81 -3.813 -7.659 3.154 556 HB2 TYR 81 1HB TYR 81 -4.209 -10.187 4.723 557 HB3 TYR 81 2HB TYR 81 -3.859 -8.565 5.309 558 HD1 TYR 81 2HD TYR 81 -5.816 -6.821 4.407 559 HD2 TYR 81 1HD TYR 81 -6.295 -10.951 5.312 560 HE1 TYR 81 2HE TYR 81 -8.212 -6.448 4.816 561 HE2 TYR 81 1HE TYR 81 -8.692 -10.589 5.723 562 HH TYR 81 HH TYR 81 -10.112 -7.348 5.578 563 H ASP 82 H ASP 82 -3.578 -11.168 2.620 564 HA ASP 82 HA ASP 82 -1.047 -11.795 3.157 565 HB2 ASP 82 1HB ASP 82 -2.169 -12.450 0.433 566 HB3 ASP 82 2HB ASP 82 -1.072 -13.417 1.415 567 H LYS 83 H LYS 83 -1.929 -10.296 0.041 568 HA LYS 83 HA LYS 83 0.787 -9.802 -0.680 569 HB2 LYS 83 1HB LYS 83 -1.669 -8.479 -1.833 570 HB3 LYS 83 2HB LYS 83 -0.101 -8.673 -2.603 571 HG2 LYS 83 1HG LYS 83 -0.633 -11.235 -2.211 572 HG3 LYS 83 2HG LYS 83 -2.293 -10.634 -2.233 573 HD2 LYS 83 1HD LYS 83 -1.817 -11.204 -4.465 574 HD3 LYS 83 2HD LYS 83 -1.664 -9.446 -4.397 575 HE2 LYS 83 1HE LYS 83 0.714 -9.580 -4.349 576 HE3 LYS 83 2HE LYS 83 0.671 -11.326 -4.109 577 HZ1 LYS 83 1HZ LYS 83 0.712 -9.899 -6.524 578 HZ2 LYS 83 2HZ LYS 83 -0.746 -10.752 -6.442 579 HZ3 LYS 83 3HZ LYS 83 0.725 -11.575 -6.293 580 H ALA 84 H ALA 84 -1.881 -7.636 0.272 581 HA ALA 84 HA ALA 84 -0.771 -5.200 0.252 582 HB1 ALA 84 1HB ALA 84 -2.873 -6.418 1.693 583 HB2 ALA 84 2HB ALA 84 -1.954 -5.435 2.833 584 HB3 ALA 84 3HB ALA 84 -2.618 -4.703 1.373 585 H GLU 85 H GLU 85 -0.523 -7.203 3.198 586 HA GLU 85 HA GLU 85 1.260 -5.749 4.632 587 HB2 GLU 85 1HB GLU 85 0.197 -7.933 5.299 588 HB3 GLU 85 2HB GLU 85 1.449 -8.751 4.374 589 HG2 GLU 85 1HG GLU 85 3.069 -7.357 5.861 590 HG3 GLU 85 2HG GLU 85 1.669 -7.227 6.925 591 H THR 86 H THR 86 2.001 -7.878 1.924 592 HA THR 86 HA THR 86 4.845 -7.572 2.183 593 HB THR 86 HB THR 86 3.239 -8.625 -0.154 594 HG1 THR 86 1HG THR 86 3.122 -10.422 0.955 595 HG21 THR 86 1HG2 THR 86 5.463 -7.986 -0.854 596 HG22 THR 86 2HG2 THR 86 5.372 -9.745 -0.759 597 HG23 THR 86 3HG2 THR 86 6.176 -8.833 0.518 598 H GLU 87 H GLU 87 2.281 -6.034 0.354 599 HA GLU 87 HA GLU 87 3.952 -4.637 -1.466 600 HB2 GLU 87 1HB GLU 87 1.100 -4.363 -0.586 601 HB3 GLU 87 2HB GLU 87 1.833 -3.108 -1.575 602 HG2 GLU 87 1HG GLU 87 1.851 -6.002 -2.369 603 HG3 GLU 87 2HG GLU 87 0.534 -4.907 -2.786 604 H ALA 88 H ALA 88 2.820 -3.992 1.774 605 HA ALA 88 HA ALA 88 3.719 -1.241 1.744 606 HB1 ALA 88 1HB ALA 88 3.148 -2.441 4.351 607 HB2 ALA 88 2HB ALA 88 2.492 -0.985 3.600 608 HB3 ALA 88 3HB ALA 88 1.824 -2.565 3.191 609 H SER 89 H SER 89 4.700 -4.277 3.310 610 HA SER 89 HA SER 89 6.909 -3.221 4.697 611 HB2 SER 89 1HB SER 89 5.909 -5.403 5.242 612 HB3 SER 89 2HB SER 89 6.472 -6.048 3.700 613 HG SER 89 HG SER 89 8.628 -5.196 4.626 614 H LYS 90 H LYS 90 6.427 -3.833 1.391 615 HA LYS 90 HA LYS 90 9.273 -4.095 0.804 616 HB2 LYS 90 1HB LYS 90 8.623 -4.554 -1.452 617 HB3 LYS 90 2HB LYS 90 7.556 -5.471 -0.397 618 HG2 LYS 90 1HG LYS 90 5.750 -4.007 -0.785 619 HG3 LYS 90 2HG LYS 90 6.795 -2.797 -1.532 620 HD2 LYS 90 1HD LYS 90 5.430 -4.102 -3.158 621 HD3 LYS 90 2HD LYS 90 7.170 -4.207 -3.436 622 HE2 LYS 90 1HE LYS 90 7.258 -6.380 -2.423 623 HE3 LYS 90 2HE LYS 90 5.575 -6.262 -1.913 624 HZ1 LYS 90 1HZ LYS 90 5.055 -6.064 -4.370 625 HZ2 LYS 90 2HZ LYS 90 5.548 -7.585 -3.820 626 HZ3 LYS 90 3HZ LYS 90 6.637 -6.594 -4.653 627 H ALA 91 H ALA 91 6.727 -1.739 0.755 628 HA ALA 91 HA ALA 91 8.174 0.125 -0.915 629 HB1 ALA 91 1HB ALA 91 6.199 1.120 -1.155 630 HB2 ALA 91 2HB ALA 91 5.508 -0.205 -0.217 631 HB3 ALA 91 3HB ALA 91 5.994 1.286 0.589 632 H ILE 92 H ILE 92 8.309 -0.795 2.304 633 HA ILE 92 HA ILE 92 9.001 1.808 3.372 634 HB ILE 92 HB ILE 92 8.894 -0.949 4.567 635 HG12 ILE 92 1HG1 ILE 92 7.518 1.537 5.546 636 HG13 ILE 92 2HG1 ILE 92 6.855 0.620 4.197 637 HG21 ILE 92 1HG2 ILE 92 9.523 0.129 6.728 638 HG22 ILE 92 2HG2 ILE 92 10.834 0.037 5.553 639 HG23 ILE 92 3HG2 ILE 92 9.991 1.563 5.815 640 HD11 ILE 92 1HD1 ILE 92 7.504 -0.691 6.808 641 HD12 ILE 92 2HD1 ILE 92 5.966 0.127 6.532 642 HD13 ILE 92 3HD1 ILE 92 6.429 -1.245 5.525 643 H GLU 93 H GLU 93 10.706 -1.327 3.233 644 HA GLU 93 HA GLU 93 13.216 -0.530 3.938 645 HB2 GLU 93 1HB GLU 93 14.064 -2.376 2.467 646 HB3 GLU 93 2HB GLU 93 12.772 -2.849 3.562 647 HG2 GLU 93 1HG GLU 93 11.184 -2.481 1.628 648 HG3 GLU 93 2HG GLU 93 12.614 -2.374 0.603 649 H LYS 94 H LYS 94 11.613 -0.035 0.864 650 HA LYS 94 HA LYS 94 13.775 0.680 -0.731 651 HB2 LYS 94 1HB LYS 94 10.865 1.306 -0.730 652 HB3 LYS 94 2HB LYS 94 11.906 2.292 -1.749 653 HG2 LYS 94 1HG LYS 94 12.177 -0.662 -1.909 654 HG3 LYS 94 2HG LYS 94 10.765 0.097 -2.648 655 HD2 LYS 94 1HD LYS 94 12.414 1.668 -3.793 656 HD3 LYS 94 2HD LYS 94 13.673 0.545 -3.274 657 HE2 LYS 94 1HE LYS 94 12.486 -1.273 -4.449 658 HE3 LYS 94 2HE LYS 94 11.296 -0.103 -5.016 659 HZ1 LYS 94 1HZ LYS 94 12.736 0.783 -6.503 660 HZ2 LYS 94 2HZ LYS 94 13.390 -0.776 -6.449 661 HZ3 LYS 94 3HZ LYS 94 14.107 0.472 -5.561 662 H ASP 95 H ASP 95 11.626 2.879 1.080 663 HA ASP 95 HA ASP 95 13.636 4.988 0.844 664 HB2 ASP 95 1HB ASP 95 11.047 5.228 0.444 665 HB3 ASP 95 2HB ASP 95 10.995 5.381 2.199 666 H GLY 96 H GLY 96 11.449 3.960 3.473 667 HA2 GLY 96 1HA GLY 96 12.456 3.044 5.526 668 HA3 GLY 96 2HA GLY 96 13.744 4.222 5.317 669 H GLY 97 H GLY 97 12.269 6.498 4.715 670 HA2 GLY 97 1HA GLY 97 11.062 7.011 7.341 671 HA3 GLY 97 2HA GLY 97 11.684 8.230 6.239 672 H ASP 98 H ASP 98 9.462 5.575 5.513 673 HA ASP 98 HA ASP 98 7.438 7.594 4.796 674 HB2 ASP 98 1HB ASP 98 6.591 5.609 3.306 675 HB3 ASP 98 2HB ASP 98 7.933 6.611 2.760 676 H VAL 99 H VAL 99 6.958 7.334 7.182 677 HA VAL 99 HA VAL 99 5.954 5.040 8.352 678 HB VAL 99 HB VAL 99 4.753 6.462 9.905 679 HG11 VAL 99 1HG1 VAL 99 6.952 8.281 9.719 680 HG12 VAL 99 2HG1 VAL 99 6.699 6.955 10.855 681 HG13 VAL 99 3HG1 VAL 99 7.499 6.655 9.312 682 HG21 VAL 99 1HG2 VAL 99 5.101 8.518 7.756 683 HG22 VAL 99 2HG2 VAL 99 3.643 8.061 8.637 684 HG23 VAL 99 3HG2 VAL 99 4.900 9.002 9.440 685 H LYS 100 H LYS 100 4.559 7.006 5.893 686 HA LYS 100 HA LYS 100 1.841 6.566 6.220 687 HB2 LYS 100 1HB LYS 100 3.455 6.770 3.673 688 HB3 LYS 100 2HB LYS 100 1.698 6.827 3.734 689 HG2 LYS 100 1HG LYS 100 3.450 8.756 5.231 690 HG3 LYS 100 2HG LYS 100 2.874 9.045 3.588 691 HD2 LYS 100 1HD LYS 100 0.666 9.244 4.259 692 HD3 LYS 100 2HD LYS 100 0.930 8.332 5.747 693 HE2 LYS 100 1HE LYS 100 0.771 10.459 6.584 694 HE3 LYS 100 2HE LYS 100 2.511 10.349 6.322 695 HZ1 LYS 100 1HZ LYS 100 2.029 11.372 4.069 696 HZ2 LYS 100 2HZ LYS 100 1.885 12.389 5.412 697 HZ3 LYS 100 3HZ LYS 100 0.498 11.758 4.678 698 H ALA 101 H ALA 101 4.273 4.510 4.676 699 HA ALA 101 HA ALA 101 2.363 2.504 3.910 700 HB1 ALA 101 1HB ALA 101 4.184 1.303 3.025 701 HB2 ALA 101 2HB ALA 101 4.562 3.003 2.745 702 HB3 ALA 101 3HB ALA 101 5.341 2.133 4.066 703 H LEU 102 H LEU 102 4.380 3.137 6.671 704 HA LEU 102 HA LEU 102 4.468 0.559 7.784 705 HB2 LEU 102 1HB LEU 102 4.786 3.328 8.818 706 HB3 LEU 102 2HB LEU 102 4.567 2.027 9.986 707 HG LEU 102 HG LEU 102 6.720 1.942 7.890 708 HD11 LEU 102 1HD1 LEU 102 7.786 3.596 8.913 709 HD12 LEU 102 2HD1 LEU 102 7.876 2.581 10.352 710 HD13 LEU 102 3HD1 LEU 102 6.535 3.708 10.151 711 HD21 LEU 102 1HD2 LEU 102 6.944 0.708 10.575 712 HD22 LEU 102 2HD2 LEU 102 7.529 0.139 9.011 713 HD23 LEU 102 3HD2 LEU 102 5.824 -0.034 9.432 714 H TYR 103 H TYR 103 2.199 3.243 8.334 715 HA TYR 103 HA TYR 103 0.578 1.913 10.207 716 HB2 TYR 103 1HB TYR 103 0.524 4.350 9.866 717 HB3 TYR 103 2HB TYR 103 -0.181 4.112 8.271 718 HD1 TYR 103 2HD TYR 103 -1.035 2.309 11.403 719 HD2 TYR 103 1HD TYR 103 -2.270 5.160 8.497 720 HE1 TYR 103 2HE TYR 103 -3.284 2.339 12.398 721 HE2 TYR 103 1HE TYR 103 -4.523 5.199 9.484 722 HH TYR 103 HH TYR 103 -5.658 4.679 11.501 723 H ARG 104 H ARG 104 0.856 1.596 6.802 724 HA ARG 104 HA ARG 104 -1.771 0.459 6.413 725 HB2 ARG 104 1HB ARG 104 0.616 0.941 4.670 726 HB3 ARG 104 2HB ARG 104 -0.640 -0.166 4.133 727 HG2 ARG 104 1HG ARG 104 -1.333 2.595 5.050 728 HG3 ARG 104 2HG ARG 104 -0.752 2.302 3.410 729 HD2 ARG 104 1HD ARG 104 -2.573 0.821 2.957 730 HD3 ARG 104 2HD ARG 104 -3.082 0.846 4.645 731 HE ARG 104 HE ARG 104 -3.604 2.856 2.634 732 HH11 ARG 104 2HH1 ARG 104 -3.502 2.097 6.030 733 HH12 ARG 104 1HH1 ARG 104 -4.584 3.373 6.481 734 HH21 ARG 104 2HH2 ARG 104 -5.030 4.539 3.215 735 HH22 ARG 104 1HH2 ARG 104 -5.453 4.761 4.879 736 H ARG 105 H ARG 105 1.577 -0.739 6.421 737 HA ARG 105 HA ARG 105 1.090 -3.409 5.880 738 HB2 ARG 105 1HB ARG 105 3.319 -2.039 6.309 739 HB3 ARG 105 2HB ARG 105 3.153 -2.720 7.922 740 HG2 ARG 105 1HG ARG 105 2.820 -4.954 6.533 741 HG3 ARG 105 2HG ARG 105 3.772 -4.052 5.352 742 HD2 ARG 105 1HD ARG 105 4.618 -4.286 8.223 743 HD3 ARG 105 2HD ARG 105 5.028 -5.520 7.033 744 HE ARG 105 HE ARG 105 5.743 -2.896 6.163 745 HH11 ARG 105 2HH1 ARG 105 6.739 -5.567 8.161 746 HH12 ARG 105 1HH1 ARG 105 8.424 -5.175 8.072 747 HH21 ARG 105 2HH2 ARG 105 7.958 -2.369 6.038 748 HH22 ARG 105 1HH2 ARG 105 9.117 -3.355 6.864 749 H SER 106 H SER 106 1.050 -1.731 9.003 750 HA SER 106 HA SER 106 0.692 -3.899 10.688 751 HB2 SER 106 1HB SER 106 -0.198 -2.348 12.301 752 HB3 SER 106 2HB SER 106 1.057 -1.512 11.387 753 HG SER 106 HG SER 106 -0.563 -0.511 10.171 754 H GLN 107 H GLN 107 -1.767 -2.004 8.967 755 HA GLN 107 HA GLN 107 -4.081 -3.059 9.941 756 HB2 GLN 107 1HB GLN 107 -3.445 -2.456 7.048 757 HB3 GLN 107 2HB GLN 107 -5.066 -2.678 7.694 758 HG2 GLN 107 1HG GLN 107 -3.242 -0.605 8.839 759 HG3 GLN 107 2HG GLN 107 -4.155 -0.292 7.364 760 HE21 GLN 107 1HE2 GLN 107 -5.140 1.407 8.644 761 HE22 GLN 107 2HE2 GLN 107 -6.471 1.022 9.677 762 H ALA 108 H ALA 108 -1.876 -4.556 7.636 763 HA ALA 108 HA ALA 108 -3.590 -6.876 7.320 764 HB1 ALA 108 1HB ALA 108 -1.701 -7.704 5.885 765 HB2 ALA 108 2HB ALA 108 -2.444 -6.195 5.354 766 HB3 ALA 108 3HB ALA 108 -0.892 -6.167 6.190 767 H LEU 109 H LEU 109 -0.416 -6.121 8.722 768 HA LEU 109 HA LEU 109 0.505 -8.531 9.521 769 HB2 LEU 109 1HB LEU 109 0.504 -5.878 10.896 770 HB3 LEU 109 2HB LEU 109 1.202 -7.284 11.697 771 HG LEU 109 HG LEU 109 2.093 -6.380 8.970 772 HD11 LEU 109 1HD1 LEU 109 2.353 -4.857 11.256 773 HD12 LEU 109 2HD1 LEU 109 3.349 -4.744 9.805 774 HD13 LEU 109 3HD1 LEU 109 3.880 -5.736 11.163 775 HD21 LEU 109 1HD2 LEU 109 3.884 -7.734 10.881 776 HD22 LEU 109 2HD2 LEU 109 3.707 -7.947 9.139 777 HD23 LEU 109 3HD2 LEU 109 2.558 -8.705 10.242 778 H GLU 110 H GLU 110 -1.726 -6.566 11.497 779 HA GLU 110 HA GLU 110 -2.177 -8.444 13.497 780 HB2 GLU 110 1HB GLU 110 -4.062 -6.340 12.419 781 HB3 GLU 110 2HB GLU 110 -4.285 -7.207 13.932 782 HG2 GLU 110 1HG GLU 110 -1.727 -5.763 13.517 783 HG3 GLU 110 2HG GLU 110 -3.179 -4.816 13.840 784 H LYS 111 H LYS 111 -3.878 -7.957 10.430 785 HA LYS 111 HA LYS 111 -5.970 -9.738 10.752 786 HB2 LYS 111 1HB LYS 111 -5.234 -8.142 8.755 787 HB3 LYS 111 2HB LYS 111 -4.599 -9.648 8.107 788 HG2 LYS 111 1HG LYS 111 -7.445 -9.300 9.014 789 HG3 LYS 111 2HG LYS 111 -6.905 -9.052 7.352 790 HD2 LYS 111 1HD LYS 111 -7.481 -11.235 7.161 791 HD3 LYS 111 2HD LYS 111 -5.853 -11.477 7.799 792 HE2 LYS 111 1HE LYS 111 -6.993 -12.800 9.253 793 HE3 LYS 111 2HE LYS 111 -7.151 -11.266 10.109 794 HZ1 LYS 111 1HZ LYS 111 -9.340 -11.055 9.516 795 HZ2 LYS 111 2HZ LYS 111 -9.228 -12.735 9.680 796 HZ3 LYS 111 3HZ LYS 111 -9.195 -12.031 8.142 797 H LEU 112 H LEU 112 -2.676 -10.384 9.602 798 HA LEU 112 HA LEU 112 -3.191 -13.214 9.346 799 HB2 LEU 112 1HB LEU 112 -0.623 -11.646 9.157 800 HB3 LEU 112 2HB LEU 112 -0.802 -13.356 8.769 801 HG LEU 112 HG LEU 112 -2.251 -11.150 7.314 802 HD11 LEU 112 1HD1 LEU 112 -0.554 -11.764 5.493 803 HD12 LEU 112 2HD1 LEU 112 0.411 -12.431 6.809 804 HD13 LEU 112 3HD1 LEU 112 -0.017 -10.720 6.809 805 HD21 LEU 112 1HD2 LEU 112 -2.127 -14.101 7.113 806 HD22 LEU 112 2HD2 LEU 112 -2.139 -13.192 5.601 807 HD23 LEU 112 3HD2 LEU 112 -3.453 -12.992 6.761 808 H GLY 113 H GLY 113 -3.310 -11.696 11.994 809 HA2 GLY 113 1HA GLY 113 -2.993 -12.352 14.182 810 HA3 GLY 113 2HA GLY 113 -2.201 -13.801 13.582 811 H ARG 114 H ARG 114 -0.804 -11.082 12.220 812 HA ARG 114 HA ARG 114 1.590 -11.436 13.783 813 HB2 ARG 114 1HB ARG 114 1.171 -9.283 11.726 814 HB3 ARG 114 2HB ARG 114 2.667 -10.085 12.187 815 HG2 ARG 114 1HG ARG 114 0.489 -11.710 10.977 816 HG3 ARG 114 2HG ARG 114 1.454 -10.660 9.937 817 HD2 ARG 114 1HD ARG 114 2.647 -12.631 9.848 818 HD3 ARG 114 2HD ARG 114 3.471 -11.772 11.149 819 HE ARG 114 HE ARG 114 1.483 -13.284 12.338 820 HH11 ARG 114 2HH1 ARG 114 4.339 -13.844 10.428 821 HH12 ARG 114 1HH1 ARG 114 4.665 -15.393 11.132 822 HH21 ARG 114 2HH2 ARG 114 1.901 -15.322 13.273 823 HH22 ARG 114 1HH2 ARG 114 3.277 -16.234 12.750 824 H LEU 115 H LEU 115 0.406 -10.749 15.793 825 HA LEU 115 HA LEU 115 -0.129 -7.926 16.083 826 HB2 LEU 115 1HB LEU 115 0.049 -9.950 18.296 827 HB3 LEU 115 2HB LEU 115 -0.842 -8.430 18.278 828 HG LEU 115 HG LEU 115 -1.527 -10.900 16.684 829 HD11 LEU 115 1HD1 LEU 115 -3.620 -10.262 18.374 830 HD12 LEU 115 2HD1 LEU 115 -2.183 -10.031 19.369 831 HD13 LEU 115 3HD1 LEU 115 -2.468 -11.582 18.580 832 HD21 LEU 115 1HD2 LEU 115 -2.107 -8.302 16.041 833 HD22 LEU 115 2HD2 LEU 115 -3.524 -8.788 16.973 834 HD23 LEU 115 3HD2 LEU 115 -3.044 -9.713 15.549 835 H ASP 116 H ASP 116 2.490 -10.119 16.683 836 HA ASP 116 HA ASP 116 3.916 -8.536 18.554 837 HB2 ASP 116 1HB ASP 116 4.252 -11.016 18.008 838 HB3 ASP 116 2HB ASP 116 5.176 -10.467 16.613 839 H GLN 117 H GLN 117 3.970 -8.763 15.029 840 HA GLN 117 HA GLN 117 6.126 -6.882 14.758 841 HB2 GLN 117 1HB GLN 117 4.248 -8.187 12.798 842 HB3 GLN 117 2HB GLN 117 5.411 -6.964 12.302 843 HG2 GLN 117 1HG GLN 117 6.171 -9.297 11.950 844 HG3 GLN 117 2HG GLN 117 7.245 -8.332 12.963 845 HE21 GLN 117 1HE2 GLN 117 4.474 -10.528 13.241 846 HE22 GLN 117 2HE2 GLN 117 5.040 -11.340 14.657 847 H ALA 118 H ALA 118 2.616 -6.811 14.227 848 HA ALA 118 HA ALA 118 2.217 -4.339 13.182 849 HB1 ALA 118 1HB ALA 118 0.134 -5.031 13.509 850 HB2 ALA 118 2HB ALA 118 0.661 -6.185 14.735 851 HB3 ALA 118 3HB ALA 118 0.275 -4.526 15.193 852 H VAL 119 H VAL 119 2.994 -5.088 16.542 853 HA VAL 119 HA VAL 119 2.639 -2.479 17.569 854 HB VAL 119 HB VAL 119 4.276 -4.814 18.544 855 HG11 VAL 119 1HG1 VAL 119 5.464 -3.075 19.499 856 HG12 VAL 119 2HG1 VAL 119 4.040 -2.043 19.642 857 HG13 VAL 119 3HG1 VAL 119 4.249 -3.415 20.730 858 HG21 VAL 119 1HG2 VAL 119 1.727 -3.566 19.567 859 HG22 VAL 119 2HG2 VAL 119 1.834 -5.051 18.622 860 HG23 VAL 119 3HG2 VAL 119 2.536 -4.982 20.239 861 H LEU 120 H LEU 120 5.616 -4.223 16.664 862 HA LEU 120 HA LEU 120 7.403 -2.131 17.083 863 HB2 LEU 120 1HB LEU 120 7.595 -4.283 14.982 864 HB3 LEU 120 2HB LEU 120 8.929 -3.332 15.630 865 HG LEU 120 HG LEU 120 7.313 -5.023 17.485 866 HD11 LEU 120 1HD1 LEU 120 8.880 -6.010 15.244 867 HD12 LEU 120 2HD1 LEU 120 7.778 -6.866 16.322 868 HD13 LEU 120 3HD1 LEU 120 9.456 -6.608 16.800 869 HD21 LEU 120 1HD2 LEU 120 10.256 -4.382 17.394 870 HD22 LEU 120 2HD2 LEU 120 9.355 -5.105 18.727 871 HD23 LEU 120 3HD2 LEU 120 9.061 -3.426 18.271 872 H ASP 121 H ASP 121 6.051 -3.189 13.954 873 HA ASP 121 HA ASP 121 7.026 -1.198 12.344 874 HB2 ASP 121 1HB ASP 121 4.566 -2.877 12.278 875 HB3 ASP 121 2HB ASP 121 4.656 -1.514 11.166 876 H LEU 122 H LEU 122 4.330 -1.042 14.581 877 HA LEU 122 HA LEU 122 3.458 1.551 13.689 878 HB2 LEU 122 1HB LEU 122 2.739 -0.243 15.978 879 HB3 LEU 122 2HB LEU 122 2.145 1.415 15.906 880 HG LEU 122 HG LEU 122 1.635 -0.688 13.803 881 HD11 LEU 122 1HD1 LEU 122 -0.243 -1.311 14.859 882 HD12 LEU 122 2HD1 LEU 122 -0.589 0.322 15.427 883 HD13 LEU 122 3HD1 LEU 122 0.567 -0.686 16.296 884 HD21 LEU 122 1HD2 LEU 122 1.549 1.488 12.835 885 HD22 LEU 122 2HD2 LEU 122 0.624 2.123 14.196 886 HD23 LEU 122 3HD2 LEU 122 -0.114 0.959 13.093 887 H GLN 123 H GLN 123 5.428 0.270 16.314 888 HA GLN 123 HA GLN 123 5.675 2.563 17.871 889 HB2 GLN 123 1HB GLN 123 7.516 0.235 17.383 890 HB3 GLN 123 2HB GLN 123 7.969 1.547 18.464 891 HG2 GLN 123 1HG GLN 123 5.616 1.036 19.525 892 HG3 GLN 123 2HG GLN 123 5.879 -0.539 18.779 893 HE21 GLN 123 1HE2 GLN 123 7.379 -1.909 19.622 894 HE22 GLN 123 2HE2 GLN 123 8.244 -1.600 21.085 895 H ARG 124 H ARG 124 6.809 1.965 14.725 896 HA ARG 124 HA ARG 124 8.973 3.902 14.871 897 HB2 ARG 124 1HB ARG 124 7.930 2.057 12.748 898 HB3 ARG 124 2HB ARG 124 8.992 3.389 12.314 899 HG2 ARG 124 1HG ARG 124 10.728 2.529 13.753 900 HG3 ARG 124 2HG ARG 124 9.658 1.245 14.319 901 HD2 ARG 124 1HD ARG 124 9.832 0.056 12.376 902 HD3 ARG 124 2HD ARG 124 10.110 1.494 11.394 903 HE ARG 124 HE ARG 124 12.351 1.188 11.680 904 HH11 ARG 124 2HH1 ARG 124 10.663 -0.557 14.175 905 HH12 ARG 124 1HH1 ARG 124 12.094 -1.301 14.805 906 HH21 ARG 124 2HH2 ARG 124 14.244 0.214 12.501 907 HH22 ARG 124 1HH2 ARG 124 14.131 -0.862 13.852 908 H CYS 125 H CYS 125 5.649 3.728 13.920 909 HA CYS 125 HA CYS 125 5.592 5.986 12.209 910 HB2 CYS 125 1HB CYS 125 3.385 4.725 13.849 911 HB3 CYS 125 2HB CYS 125 3.140 5.930 12.591 912 HG CYS 125 HG CYS 125 2.415 3.363 11.659 913 H VAL 126 H VAL 126 5.293 5.567 15.679 914 HA VAL 126 HA VAL 126 4.356 8.181 16.261 915 HB VAL 126 HB VAL 126 5.954 6.416 18.113 916 HG11 VAL 126 1HG1 VAL 126 4.646 7.550 19.857 917 HG12 VAL 126 2HG1 VAL 126 5.612 8.684 18.912 918 HG13 VAL 126 3HG1 VAL 126 3.878 8.544 18.621 919 HG21 VAL 126 1HG2 VAL 126 3.306 6.020 18.734 920 HG22 VAL 126 2HG2 VAL 126 3.300 6.027 16.971 921 HG23 VAL 126 3HG2 VAL 126 4.334 4.897 17.844 922 H SER 127 H SER 127 7.546 6.773 15.874 923 HA SER 127 HA SER 127 9.062 8.857 16.991 924 HB2 SER 127 1HB SER 127 9.780 6.474 16.202 925 HB3 SER 127 2HB SER 127 10.050 7.260 14.646 926 HG SER 127 HG SER 127 11.952 7.463 15.682 927 H LEU 128 H LEU 128 8.657 8.160 13.515 928 HA LEU 128 HA LEU 128 9.670 10.538 12.544 929 HB2 LEU 128 1HB LEU 128 7.812 8.477 11.516 930 HB3 LEU 128 2HB LEU 128 7.839 10.019 10.663 931 HG LEU 128 HG LEU 128 10.461 9.541 10.711 932 HD11 LEU 128 1HD1 LEU 128 10.831 7.131 10.265 933 HD12 LEU 128 2HD1 LEU 128 9.178 6.816 10.792 934 HD13 LEU 128 3HD1 LEU 128 10.355 7.474 11.928 935 HD21 LEU 128 1HD2 LEU 128 8.679 8.155 8.722 936 HD22 LEU 128 2HD2 LEU 128 10.277 8.851 8.455 937 HD23 LEU 128 3HD2 LEU 128 8.896 9.905 8.763 938 H GLU 129 H GLU 129 6.317 9.769 13.415 939 HA GLU 129 HA GLU 129 5.728 12.656 13.329 940 HB2 GLU 129 1HB GLU 129 3.913 10.307 12.771 941 HB3 GLU 129 2HB GLU 129 3.338 11.956 12.972 942 HG2 GLU 129 1HG GLU 129 4.860 10.734 10.737 943 HG3 GLU 129 2HG GLU 129 3.483 11.834 10.701 944 HA PRO 130 HA PRO 130 5.384 11.417 17.740 945 HB2 PRO 130 1HB PRO 130 6.253 13.806 18.693 946 HB3 PRO 130 2HB PRO 130 7.351 12.513 18.196 947 HG2 PRO 130 1HG PRO 130 6.494 14.953 16.689 948 HG3 PRO 130 2HG PRO 130 8.109 14.236 16.831 949 HD2 PRO 130 1HD PRO 130 6.535 13.863 14.659 950 HD3 PRO 130 2HD PRO 130 7.673 12.629 15.237 951 H LYS 131 H LYS 131 3.848 13.594 15.692 952 HA LYS 131 HA LYS 131 2.078 14.611 17.801 953 HB2 LYS 131 1HB LYS 131 2.579 15.468 14.957 954 HB3 LYS 131 2HB LYS 131 1.189 16.043 15.867 955 HG2 LYS 131 1HG LYS 131 4.027 16.358 16.809 956 HG3 LYS 131 2HG LYS 131 3.173 17.570 15.851 957 HD2 LYS 131 1HD LYS 131 1.496 17.807 17.578 958 HD3 LYS 131 2HD LYS 131 2.233 16.504 18.514 959 HE2 LYS 131 1HE LYS 131 4.088 17.795 19.075 960 HE3 LYS 131 2HE LYS 131 3.816 18.932 17.756 961 HZ1 LYS 131 1HZ LYS 131 1.660 19.463 19.027 962 HZ2 LYS 131 2HZ LYS 131 3.118 20.098 19.603 963 HZ3 LYS 131 3HZ LYS 131 2.433 18.745 20.350 964 H ASN 132 H ASN 132 1.898 13.145 14.557 965 HA ASN 132 HA ASN 132 -0.754 12.747 14.238 966 HB2 ASN 132 1HB ASN 132 1.606 11.042 13.554 967 HB3 ASN 132 2HB ASN 132 -0.012 10.406 13.273 968 HD21 ASN 132 1HD2 ASN 132 -0.351 10.530 11.170 969 HD22 ASN 132 2HD2 ASN 132 -0.103 11.929 10.188 970 H LYS 133 H LYS 133 -2.338 11.844 15.363 971 HA LYS 133 HA LYS 133 -1.716 10.214 17.678 972 HB2 LYS 133 1HB LYS 133 -4.347 11.251 16.609 973 HB3 LYS 133 2HB LYS 133 -4.162 10.359 18.114 974 HG2 LYS 133 1HG LYS 133 -4.147 12.481 18.924 975 HG3 LYS 133 2HG LYS 133 -2.419 12.274 18.626 976 HD2 LYS 133 1HD LYS 133 -2.518 13.517 16.619 977 HD3 LYS 133 2HD LYS 133 -4.281 13.452 16.578 978 HE2 LYS 133 1HE LYS 133 -4.301 14.799 18.680 979 HE3 LYS 133 2HE LYS 133 -2.554 14.974 18.525 980 HZ1 LYS 133 1HZ LYS 133 -2.784 16.528 16.963 981 HZ2 LYS 133 2HZ LYS 133 -4.396 16.644 17.460 982 HZ3 LYS 133 3HZ LYS 133 -3.988 15.675 16.135 983 H VAL 134 H VAL 134 -3.452 9.880 14.611 984 HA VAL 134 HA VAL 134 -4.694 7.522 14.713 985 HB VAL 134 HB VAL 134 -2.721 8.038 12.493 986 HG11 VAL 134 1HG1 VAL 134 -5.213 6.434 12.813 987 HG12 VAL 134 2HG1 VAL 134 -4.819 7.105 11.229 988 HG13 VAL 134 3HG1 VAL 134 -3.692 6.009 12.029 989 HG21 VAL 134 1HG2 VAL 134 -5.224 9.476 13.216 990 HG22 VAL 134 2HG2 VAL 134 -3.731 10.094 12.512 991 HG23 VAL 134 3HG2 VAL 134 -4.873 9.200 11.510 992 H PHE 135 H PHE 135 -1.212 7.934 14.820 993 HA PHE 135 HA PHE 135 -0.657 5.115 14.644 994 HB2 PHE 135 1HB PHE 135 1.171 7.360 15.519 995 HB3 PHE 135 2HB PHE 135 1.660 5.742 15.029 996 HD1 PHE 135 1HD PHE 135 -0.374 5.598 12.700 997 HD2 PHE 135 2HD PHE 135 2.509 8.494 13.892 998 HE1 PHE 135 1HE PHE 135 -0.181 6.362 10.368 999 HE2 PHE 135 2HE PHE 135 2.706 9.262 11.563 1000 HZ PHE 135 HZ PHE 135 1.359 8.197 9.798 1001 H GLN 136 H GLN 136 -0.664 7.558 17.214 1002 HA GLN 136 HA GLN 136 0.236 5.949 19.305 1003 HB2 GLN 136 1HB GLN 136 -1.647 8.308 19.322 1004 HB3 GLN 136 2HB GLN 136 -1.002 7.569 20.782 1005 HG2 GLN 136 1HG GLN 136 1.288 8.055 19.924 1006 HG3 GLN 136 2HG GLN 136 0.542 8.955 18.605 1007 HE21 GLN 136 1HE2 GLN 136 1.620 10.830 19.325 1008 HE22 GLN 136 2HE2 GLN 136 1.050 11.719 20.693 1009 H GLU 137 H GLU 137 -2.812 6.028 17.689 1010 HA GLU 137 HA GLU 137 -4.195 4.595 19.801 1011 HB2 GLU 137 1HB GLU 137 -5.311 4.991 17.049 1012 HB3 GLU 137 2HB GLU 137 -6.154 4.924 18.590 1013 HG2 GLU 137 1HG GLU 137 -4.263 7.163 18.066 1014 HG3 GLU 137 2HG GLU 137 -5.860 7.185 17.320 1015 H ALA 138 H ALA 138 -3.370 3.983 16.387 1016 HA ALA 138 HA ALA 138 -4.207 1.413 16.085 1017 HB1 ALA 138 1HB ALA 138 -2.957 2.952 14.441 1018 HB2 ALA 138 2HB ALA 138 -1.496 2.196 15.078 1019 HB3 ALA 138 3HB ALA 138 -2.732 1.209 14.298 1020 H LEU 139 H LEU 139 -1.424 2.522 17.902 1021 HA LEU 139 HA LEU 139 -0.457 -0.171 18.364 1022 HB2 LEU 139 1HB LEU 139 0.836 2.155 18.205 1023 HB3 LEU 139 2HB LEU 139 0.554 2.126 19.944 1024 HG LEU 139 HG LEU 139 1.756 -0.291 18.703 1025 HD11 LEU 139 1HD1 LEU 139 3.512 2.030 19.398 1026 HD12 LEU 139 2HD1 LEU 139 2.871 1.839 17.766 1027 HD13 LEU 139 3HD1 LEU 139 3.890 0.581 18.465 1028 HD21 LEU 139 1HD2 LEU 139 2.904 -0.414 20.812 1029 HD22 LEU 139 2HD2 LEU 139 1.189 -0.126 21.112 1030 HD23 LEU 139 3HD2 LEU 139 2.345 1.199 21.257 1031 H ARG 140 H ARG 140 -1.988 2.431 20.221 1032 HA ARG 140 HA ARG 140 -2.002 1.083 22.702 1033 HB2 ARG 140 1HB ARG 140 -3.589 3.372 21.572 1034 HB3 ARG 140 2HB ARG 140 -3.951 2.721 23.165 1035 HG2 ARG 140 1HG ARG 140 -1.161 3.539 22.483 1036 HG3 ARG 140 2HG ARG 140 -2.362 4.750 22.937 1037 HD2 ARG 140 1HD ARG 140 -1.762 2.312 24.597 1038 HD3 ARG 140 2HD ARG 140 -0.939 3.856 24.817 1039 HE ARG 140 HE ARG 140 -3.757 4.185 24.884 1040 HH11 ARG 140 2HH1 ARG 140 -1.058 3.059 26.774 1041 HH12 ARG 140 1HH1 ARG 140 -1.820 3.386 28.296 1042 HH21 ARG 140 2HH2 ARG 140 -4.770 4.619 26.881 1043 HH22 ARG 140 1HH2 ARG 140 -3.932 4.272 28.355 1044 H ASN 141 H ASN 141 -3.915 0.740 19.873 1045 HA ASN 141 HA ASN 141 -6.187 -0.448 21.187 1046 HB2 ASN 141 1HB ASN 141 -5.380 0.068 18.358 1047 HB3 ASN 141 2HB ASN 141 -6.617 -1.146 18.667 1048 HD21 ASN 141 1HD2 ASN 141 -6.966 1.297 17.264 1049 HD22 ASN 141 2HD2 ASN 141 -8.116 2.241 18.142 1050 H ILE 142 H ILE 142 -3.642 -1.669 19.009 1051 HA ILE 142 HA ILE 142 -4.352 -4.400 19.390 1052 HB ILE 142 HB ILE 142 -2.351 -4.950 18.168 1053 HG12 ILE 142 1HG1 ILE 142 -1.547 -2.044 18.235 1054 HG13 ILE 142 2HG1 ILE 142 -0.952 -3.207 19.416 1055 HG21 ILE 142 1HG2 ILE 142 -4.330 -3.952 16.983 1056 HG22 ILE 142 2HG2 ILE 142 -3.452 -2.423 16.960 1057 HG23 ILE 142 3HG2 ILE 142 -2.797 -3.829 16.121 1058 HD11 ILE 142 1HD1 ILE 142 -0.477 -3.163 16.455 1059 HD12 ILE 142 2HD1 ILE 142 0.704 -3.039 17.759 1060 HD13 ILE 142 3HD1 ILE 142 -0.123 -4.568 17.460 1061 H SER 143 H SER 143 -2.166 -2.191 20.981 1062 HA SER 143 HA SER 143 -0.791 -4.258 22.448 1063 HB2 SER 143 1HB SER 143 0.274 -2.078 21.802 1064 HB3 SER 143 2HB SER 143 -0.781 -1.276 22.965 1065 HG SER 143 HG SER 143 0.162 -2.842 24.522 1066 H GLY 144 H GLY 144 -3.524 -2.143 22.934 1067 HA2 GLY 144 1HA GLY 144 -3.693 -2.780 25.771 1068 HA3 GLY 144 2HA GLY 144 -4.761 -1.708 24.877 1069 HA PRO 145 HA PRO 145 -6.627 -6.027 25.601 1070 HB2 PRO 145 1HB PRO 145 -8.383 -5.371 27.564 1071 HB3 PRO 145 2HB PRO 145 -6.741 -5.936 27.894 1072 HG2 PRO 145 1HG PRO 145 -7.811 -3.140 27.860 1073 HG3 PRO 145 2HG PRO 145 -6.702 -3.900 29.017 1074 HD2 PRO 145 1HD PRO 145 -5.845 -2.268 27.034 1075 HD3 PRO 145 2HD PRO 145 -4.876 -3.628 27.638 1076 H SER 146 H SER 146 -7.560 -5.703 23.552 1077 HA SER 146 HA SER 146 -9.759 -3.867 23.218 1078 HB2 SER 146 1HB SER 146 -8.106 -4.464 21.399 1079 HB3 SER 146 2HB SER 146 -8.880 -6.046 21.314 1080 HG SER 146 HG SER 146 -10.879 -4.526 21.134 1081 H SER 147 H SER 147 -11.474 -4.441 24.466 1082 HA SER 147 HA SER 147 -13.149 -5.728 25.370 1083 HB2 SER 147 1HB SER 147 -13.306 -6.496 22.445 1084 HB3 SER 147 2HB SER 147 -14.589 -6.757 23.625 1085 HG SER 147 HG SER 147 -14.907 -4.826 22.455 1086 H GLY 148 H GLY 148 -10.695 -6.967 25.779 1087 HA2 GLY 148 1HA GLY 148 -10.104 -9.019 26.708 1088 HA3 GLY 148 2HA GLY 148 -11.564 -9.720 26.026 Start of MODEL 17 1 H1 GLY 1 H GLY 1 26.507 57.568 -17.710 2 HA2 GLY 1 1HA GLY 1 27.178 55.007 -16.826 3 HA3 GLY 1 2HA GLY 1 28.231 56.138 -15.989 4 H SER 2 H SER 2 26.196 54.415 -14.856 5 HA SER 2 HA SER 2 24.855 56.388 -13.246 6 HB2 SER 2 1HB SER 2 23.424 55.876 -15.395 7 HB3 SER 2 2HB SER 2 23.005 54.404 -14.518 8 HG SER 2 HG SER 2 21.887 56.722 -14.238 9 H SER 3 H SER 3 23.280 55.144 -11.676 10 HA SER 3 HA SER 3 24.370 52.510 -11.004 11 HB2 SER 3 1HB SER 3 24.618 53.159 -8.634 12 HB3 SER 3 2HB SER 3 25.672 54.110 -9.681 13 HG SER 3 HG SER 3 23.139 55.137 -9.155 14 H GLY 4 H GLY 4 23.090 51.657 -8.977 15 HA2 GLY 4 1HA GLY 4 20.775 52.130 -7.948 16 HA3 GLY 4 2HA GLY 4 20.245 52.058 -9.622 17 H SER 5 H SER 5 19.342 50.381 -7.491 18 HA SER 5 HA SER 5 19.517 47.862 -8.759 19 HB2 SER 5 1HB SER 5 20.725 46.597 -7.052 20 HB3 SER 5 2HB SER 5 21.761 47.861 -7.714 21 HG SER 5 HG SER 5 20.248 48.503 -5.468 22 H SER 6 H SER 6 17.974 46.438 -8.008 23 HA SER 6 HA SER 6 16.600 46.978 -5.509 24 HB2 SER 6 1HB SER 6 15.136 47.098 -8.157 25 HB3 SER 6 2HB SER 6 14.385 47.167 -6.563 26 HG SER 6 HG SER 6 16.078 49.031 -6.390 27 H GLY 7 H GLY 7 14.612 45.374 -5.393 28 HA2 GLY 7 1HA GLY 7 14.886 42.919 -6.840 29 HA3 GLY 7 2HA GLY 7 15.568 42.805 -5.224 30 H MET 8 H MET 8 12.814 42.393 -7.044 31 HA MET 8 HA MET 8 11.243 41.704 -4.776 32 HB2 MET 8 1HB MET 8 9.514 43.344 -4.900 33 HB3 MET 8 2HB MET 8 11.039 44.212 -4.791 34 HG2 MET 8 1HG MET 8 9.980 45.397 -6.428 35 HG3 MET 8 2HG MET 8 10.885 44.232 -7.392 36 HE1 MET 8 1HE MET 8 8.153 45.580 -8.953 37 HE2 MET 8 2HE MET 8 6.752 45.272 -7.927 38 HE3 MET 8 3HE MET 8 8.151 46.129 -7.277 39 H THR 9 H THR 9 9.399 40.525 -5.328 40 HA THR 9 HA THR 9 8.621 40.300 -8.113 41 HB THR 9 HB THR 9 8.940 37.871 -8.222 42 HG1 THR 9 1HG THR 9 9.794 38.280 -5.592 43 HG21 THR 9 1HG2 THR 9 10.691 39.278 -9.146 44 HG22 THR 9 2HG2 THR 9 11.405 37.849 -8.399 45 HG23 THR 9 3HG2 THR 9 11.460 39.401 -7.564 46 H VAL 10 H VAL 10 6.486 40.082 -8.215 47 HA VAL 10 HA VAL 10 5.083 38.637 -6.082 48 HB VAL 10 HB VAL 10 4.245 41.353 -7.107 49 HG11 VAL 10 1HG1 VAL 10 2.572 39.391 -6.329 50 HG12 VAL 10 2HG1 VAL 10 2.919 40.141 -4.770 51 HG13 VAL 10 3HG1 VAL 10 2.248 41.107 -6.085 52 HG21 VAL 10 1HG2 VAL 10 4.500 41.809 -4.544 53 HG22 VAL 10 2HG2 VAL 10 5.602 40.434 -4.612 54 HG23 VAL 10 3HG2 VAL 10 5.911 41.862 -5.600 55 H SER 11 H SER 11 3.650 37.233 -6.859 56 HA SER 11 HA SER 11 2.370 37.740 -9.439 57 HB2 SER 11 1HB SER 11 2.988 35.674 -10.402 58 HB3 SER 11 2HB SER 11 4.482 36.296 -9.699 59 HG SER 11 HG SER 11 4.141 34.094 -9.179 60 H GLY 12 H GLY 12 0.562 36.205 -9.856 61 HA2 GLY 12 1HA GLY 12 -0.548 35.051 -7.386 62 HA3 GLY 12 2HA GLY 12 -1.508 36.194 -8.314 63 HA PRO 13 HA PRO 13 -1.643 31.665 -9.963 64 HB2 PRO 13 1HB PRO 13 -3.643 30.603 -8.466 65 HB3 PRO 13 2HB PRO 13 -1.938 30.473 -8.021 66 HG2 PRO 13 1HG PRO 13 -4.018 32.375 -7.014 67 HG3 PRO 13 2HG PRO 13 -2.780 31.488 -6.106 68 HD2 PRO 13 1HD PRO 13 -2.504 34.097 -6.778 69 HD3 PRO 13 2HD PRO 13 -1.121 32.991 -6.655 70 H GLY 14 H GLY 14 -3.846 30.545 -10.678 71 HA2 GLY 14 1HA GLY 14 -6.271 31.430 -11.004 72 HA3 GLY 14 2HA GLY 14 -5.435 32.705 -11.877 73 H THR 15 H THR 15 -6.886 29.690 -12.116 74 HA THR 15 HA THR 15 -5.761 29.325 -14.814 75 HB THR 15 HB THR 15 -6.155 26.848 -14.495 76 HG1 THR 15 1HG THR 15 -6.611 27.782 -11.865 77 HG21 THR 15 1HG2 THR 15 -3.926 27.029 -14.366 78 HG22 THR 15 2HG2 THR 15 -4.133 26.932 -12.617 79 HG23 THR 15 3HG2 THR 15 -4.021 28.505 -13.406 80 HA PRO 16 HA PRO 16 -9.937 29.460 -16.202 81 HB2 PRO 16 1HB PRO 16 -9.651 28.150 -18.562 82 HB3 PRO 16 2HB PRO 16 -9.070 29.799 -18.303 83 HG2 PRO 16 1HG PRO 16 -7.549 27.221 -18.233 84 HG3 PRO 16 2HG PRO 16 -7.092 28.771 -18.964 85 HD2 PRO 16 1HD PRO 16 -6.142 27.956 -16.563 86 HD3 PRO 16 2HD PRO 16 -6.420 29.666 -16.949 87 H GLU 17 H GLU 17 -11.453 27.771 -17.496 88 HA GLU 17 HA GLU 17 -12.277 25.868 -15.681 89 HB2 GLU 17 1HB GLU 17 -12.673 26.058 -18.660 90 HB3 GLU 17 2HB GLU 17 -13.421 24.787 -17.703 91 HG2 GLU 17 1HG GLU 17 -13.803 27.734 -17.234 92 HG3 GLU 17 2HG GLU 17 -14.911 26.704 -18.139 93 HA PRO 18 HA PRO 18 -9.531 22.455 -15.987 94 HB2 PRO 18 1HB PRO 18 -11.217 20.409 -15.404 95 HB3 PRO 18 2HB PRO 18 -10.650 21.562 -14.190 96 HG2 PRO 18 1HG PRO 18 -13.249 21.498 -15.674 97 HG3 PRO 18 2HG PRO 18 -12.949 21.826 -13.958 98 HD2 PRO 18 1HD PRO 18 -13.397 23.796 -15.761 99 HD3 PRO 18 2HD PRO 18 -12.337 24.013 -14.353 100 H ARG 19 H ARG 19 -8.985 22.405 -18.178 101 HA ARG 19 HA ARG 19 -10.753 20.947 -19.996 102 HB2 ARG 19 1HB ARG 19 -10.050 22.792 -21.161 103 HB3 ARG 19 2HB ARG 19 -8.502 22.861 -20.330 104 HG2 ARG 19 1HG ARG 19 -7.605 21.124 -21.677 105 HG3 ARG 19 2HG ARG 19 -9.190 20.755 -22.362 106 HD2 ARG 19 1HD ARG 19 -7.673 23.337 -22.732 107 HD3 ARG 19 2HD ARG 19 -7.780 22.035 -23.915 108 HE ARG 19 HE ARG 19 -9.819 23.978 -23.270 109 HH11 ARG 19 2HH1 ARG 19 -9.091 20.906 -24.737 110 HH12 ARG 19 1HH1 ARG 19 -10.501 20.905 -25.744 111 HH21 ARG 19 2HH2 ARG 19 -11.678 23.989 -24.592 112 HH22 ARG 19 1HH2 ARG 19 -11.971 22.660 -25.661 113 HA PRO 20 HA PRO 20 -8.407 17.233 -19.573 114 HB2 PRO 20 1HB PRO 20 -9.269 15.981 -21.823 115 HB3 PRO 20 2HB PRO 20 -10.270 16.155 -20.376 116 HG2 PRO 20 1HG PRO 20 -10.283 17.774 -22.894 117 HG3 PRO 20 2HG PRO 20 -11.654 17.163 -21.951 118 HD2 PRO 20 1HD PRO 20 -10.796 19.725 -21.782 119 HD3 PRO 20 2HD PRO 20 -11.509 18.864 -20.403 120 H ALA 21 H ALA 21 -7.179 15.723 -21.281 121 HA ALA 21 HA ALA 21 -5.729 17.280 -23.264 122 HB1 ALA 21 1HB ALA 21 -4.414 16.103 -20.828 123 HB2 ALA 21 2HB ALA 21 -3.526 16.520 -22.294 124 HB3 ALA 21 3HB ALA 21 -4.374 17.774 -21.389 125 H THR 22 H THR 22 -4.164 15.883 -24.484 126 HA THR 22 HA THR 22 -5.325 13.780 -25.721 127 HB THR 22 HB THR 22 -3.222 14.751 -26.501 128 HG1 THR 22 1HG THR 22 -3.482 12.821 -27.454 129 HG21 THR 22 1HG2 THR 22 -2.117 14.941 -24.299 130 HG22 THR 22 2HG2 THR 22 -1.092 14.150 -25.497 131 HG23 THR 22 3HG2 THR 22 -1.916 13.190 -24.270 132 HA PRO 23 HA PRO 23 -5.586 10.438 -22.860 133 HB2 PRO 23 1HB PRO 23 -5.823 8.395 -24.632 134 HB3 PRO 23 2HB PRO 23 -7.134 9.532 -24.297 135 HG2 PRO 23 1HG PRO 23 -5.193 9.497 -26.575 136 HG3 PRO 23 2HG PRO 23 -6.939 9.806 -26.598 137 HD2 PRO 23 1HD PRO 23 -5.107 11.797 -26.697 138 HD3 PRO 23 2HD PRO 23 -6.689 11.993 -25.916 139 H GLY 24 H GLY 24 -3.838 9.830 -21.737 140 HA2 GLY 24 1HA GLY 24 -1.841 8.161 -23.076 141 HA3 GLY 24 2HA GLY 24 -1.271 9.609 -22.259 142 H ALA 25 H ALA 25 -3.416 6.839 -21.585 143 HA ALA 25 HA ALA 25 -2.742 6.914 -18.780 144 HB1 ALA 25 1HB ALA 25 -4.673 5.847 -18.547 145 HB2 ALA 25 2HB ALA 25 -4.873 5.908 -20.299 146 HB3 ALA 25 3HB ALA 25 -4.106 4.509 -19.547 147 H SER 26 H SER 26 -0.458 6.549 -20.336 148 HA SER 26 HA SER 26 0.263 3.763 -19.696 149 HB2 SER 26 1HB SER 26 1.442 5.475 -21.897 150 HB3 SER 26 2HB SER 26 1.837 3.791 -21.553 151 HG SER 26 HG SER 26 0.268 4.180 -23.285 152 H SER 27 H SER 27 1.376 7.112 -19.866 153 HA SER 27 HA SER 27 3.928 6.688 -18.746 154 HB2 SER 27 1HB SER 27 2.154 9.062 -19.134 155 HB3 SER 27 2HB SER 27 3.549 9.219 -18.066 156 HG SER 27 HG SER 27 4.768 9.306 -19.764 157 H VAL 28 H VAL 28 4.601 6.413 -16.711 158 HA VAL 28 HA VAL 28 2.843 5.746 -14.644 159 HB VAL 28 HB VAL 28 5.097 4.925 -14.587 160 HG11 VAL 28 1HG1 VAL 28 6.446 7.377 -13.790 161 HG12 VAL 28 2HG1 VAL 28 6.922 6.154 -14.970 162 HG13 VAL 28 3HG1 VAL 28 5.815 7.446 -15.435 163 HG21 VAL 28 1HG2 VAL 28 5.676 6.342 -12.254 164 HG22 VAL 28 2HG2 VAL 28 3.917 6.366 -12.385 165 HG23 VAL 28 3HG2 VAL 28 4.780 4.829 -12.386 166 H GLU 29 H GLU 29 4.451 8.787 -15.416 167 HA GLU 29 HA GLU 29 3.732 10.145 -13.034 168 HB2 GLU 29 1HB GLU 29 4.130 12.213 -14.543 169 HB3 GLU 29 2HB GLU 29 5.485 11.152 -14.183 170 HG2 GLU 29 1HG GLU 29 3.902 10.609 -16.633 171 HG3 GLU 29 2HG GLU 29 4.984 12.000 -16.628 172 H GLN 30 H GLN 30 2.180 9.762 -16.170 173 HA GLN 30 HA GLN 30 0.017 11.557 -15.456 174 HB2 GLN 30 1HB GLN 30 0.735 11.602 -17.750 175 HB3 GLN 30 2HB GLN 30 0.536 9.861 -17.899 176 HG2 GLN 30 1HG GLN 30 -1.860 10.081 -17.677 177 HG3 GLN 30 2HG GLN 30 -1.699 11.818 -17.420 178 HE21 GLN 30 1HE2 GLN 30 -3.278 11.681 -19.269 179 HE22 GLN 30 2HE2 GLN 30 -2.614 11.722 -20.864 180 H LEU 31 H LEU 31 -0.057 8.248 -16.773 181 HA LEU 31 HA LEU 31 -2.519 7.431 -16.182 182 HB2 LEU 31 1HB LEU 31 -1.791 5.277 -16.301 183 HB3 LEU 31 2HB LEU 31 -0.387 6.112 -16.961 184 HG LEU 31 HG LEU 31 0.457 6.025 -14.484 185 HD11 LEU 31 1HD1 LEU 31 -0.582 4.684 -13.037 186 HD12 LEU 31 2HD1 LEU 31 -0.839 3.427 -14.247 187 HD13 LEU 31 3HD1 LEU 31 -1.963 4.781 -14.129 188 HD21 LEU 31 1HD2 LEU 31 1.524 4.937 -16.401 189 HD22 LEU 31 2HD2 LEU 31 0.405 3.582 -16.254 190 HD23 LEU 31 3HD2 LEU 31 1.566 3.911 -14.967 191 H ARG 32 H ARG 32 -0.003 7.982 -13.806 192 HA ARG 32 HA ARG 32 -0.751 6.794 -11.544 193 HB2 ARG 32 1HB ARG 32 0.988 8.613 -11.805 194 HB3 ARG 32 2HB ARG 32 -0.313 9.779 -11.606 195 HG2 ARG 32 1HG ARG 32 0.417 9.668 -9.461 196 HG3 ARG 32 2HG ARG 32 -0.767 8.361 -9.423 197 HD2 ARG 32 1HD ARG 32 0.918 6.709 -9.647 198 HD3 ARG 32 2HD ARG 32 2.139 7.913 -10.056 199 HE ARG 32 HE ARG 32 1.188 7.217 -7.414 200 HH11 ARG 32 2HH1 ARG 32 2.893 9.527 -9.384 201 HH12 ARG 32 1HH1 ARG 32 3.753 10.224 -8.052 202 HH21 ARG 32 2HH2 ARG 32 2.315 8.127 -5.652 203 HH22 ARG 32 1HH2 ARG 32 3.425 9.426 -5.930 204 H LYS 33 H LYS 33 -2.268 9.859 -12.566 205 HA LYS 33 HA LYS 33 -4.177 10.183 -10.678 206 HB2 LYS 33 1HB LYS 33 -4.127 10.727 -13.605 207 HB3 LYS 33 2HB LYS 33 -5.667 10.891 -12.772 208 HG2 LYS 33 1HG LYS 33 -4.659 13.032 -12.811 209 HG3 LYS 33 2HG LYS 33 -4.527 12.429 -11.157 210 HD2 LYS 33 1HD LYS 33 -2.205 11.619 -11.799 211 HD3 LYS 33 2HD LYS 33 -2.380 12.594 -13.260 212 HE2 LYS 33 1HE LYS 33 -2.778 14.578 -11.845 213 HE3 LYS 33 2HE LYS 33 -2.509 13.585 -10.413 214 HZ1 LYS 33 1HZ LYS 33 -0.277 13.053 -11.577 215 HZ2 LYS 33 2HZ LYS 33 -0.454 14.520 -10.754 216 HZ3 LYS 33 3HZ LYS 33 -0.574 14.478 -12.440 217 H GLU 34 H GLU 34 -4.524 8.116 -13.556 218 HA GLU 34 HA GLU 34 -7.058 7.195 -13.313 219 HB2 GLU 34 1HB GLU 34 -5.552 6.461 -15.086 220 HB3 GLU 34 2HB GLU 34 -4.612 5.530 -13.930 221 HG2 GLU 34 1HG GLU 34 -6.166 3.870 -13.784 222 HG3 GLU 34 2HG GLU 34 -7.511 4.942 -14.168 223 H GLY 35 H GLY 35 -4.264 6.063 -11.445 224 HA2 GLY 35 1HA GLY 35 -5.635 4.028 -10.037 225 HA3 GLY 35 2HA GLY 35 -4.123 4.778 -9.547 226 H ASN 36 H ASN 36 -4.913 7.401 -9.190 227 HA ASN 36 HA ASN 36 -6.089 7.272 -6.614 228 HB2 ASN 36 1HB ASN 36 -5.926 9.834 -8.159 229 HB3 ASN 36 2HB ASN 36 -5.634 9.546 -6.447 230 HD21 ASN 36 1HD2 ASN 36 -3.606 9.956 -5.984 231 HD22 ASN 36 2HD2 ASN 36 -2.232 9.512 -6.933 232 H GLU 37 H GLU 37 -7.248 8.871 -9.589 233 HA GLU 37 HA GLU 37 -9.707 9.704 -8.829 234 HB2 GLU 37 1HB GLU 37 -8.968 8.358 -11.431 235 HB3 GLU 37 2HB GLU 37 -10.471 9.231 -11.168 236 HG2 GLU 37 1HG GLU 37 -9.132 11.257 -10.645 237 HG3 GLU 37 2HG GLU 37 -7.684 10.358 -11.095 238 H LEU 38 H LEU 38 -8.926 6.408 -9.909 239 HA LEU 38 HA LEU 38 -11.529 5.367 -9.607 240 HB2 LEU 38 1HB LEU 38 -8.801 4.129 -9.712 241 HB3 LEU 38 2HB LEU 38 -10.237 3.147 -9.430 242 HG LEU 38 HG LEU 38 -10.069 4.932 -11.830 243 HD11 LEU 38 1HD1 LEU 38 -8.010 3.519 -11.717 244 HD12 LEU 38 2HD1 LEU 38 -9.039 3.211 -13.115 245 HD13 LEU 38 3HD1 LEU 38 -9.055 2.099 -11.747 246 HD21 LEU 38 1HD2 LEU 38 -11.760 3.611 -12.681 247 HD22 LEU 38 2HD2 LEU 38 -12.157 3.650 -10.963 248 HD23 LEU 38 3HD2 LEU 38 -11.352 2.239 -11.651 249 H PHE 39 H PHE 39 -8.828 5.710 -7.389 250 HA PHE 39 HA PHE 39 -9.884 4.084 -5.321 251 HB2 PHE 39 1HB PHE 39 -7.469 4.933 -5.636 252 HB3 PHE 39 2HB PHE 39 -8.031 6.410 -4.859 253 HD1 PHE 39 1HD PHE 39 -7.996 2.720 -4.348 254 HD2 PHE 39 2HD PHE 39 -7.900 6.585 -2.568 255 HE1 PHE 39 1HE PHE 39 -7.629 1.691 -2.143 256 HE2 PHE 39 2HE PHE 39 -7.532 5.563 -0.360 257 HZ PHE 39 HZ PHE 39 -7.396 3.113 -0.145 258 H LYS 40 H LYS 40 -9.800 7.620 -5.740 259 HA LYS 40 HA LYS 40 -11.267 8.276 -3.452 260 HB2 LYS 40 1HB LYS 40 -11.772 10.414 -4.669 261 HB3 LYS 40 2HB LYS 40 -10.066 9.995 -4.597 262 HG2 LYS 40 1HG LYS 40 -10.345 9.004 -6.905 263 HG3 LYS 40 2HG LYS 40 -11.928 9.783 -6.944 264 HD2 LYS 40 1HD LYS 40 -10.521 11.326 -7.987 265 HD3 LYS 40 2HD LYS 40 -10.656 11.933 -6.335 266 HE2 LYS 40 1HE LYS 40 -8.516 11.053 -5.759 267 HE3 LYS 40 2HE LYS 40 -8.409 10.163 -7.277 268 HZ1 LYS 40 1HZ LYS 40 -7.861 12.019 -8.436 269 HZ2 LYS 40 2HZ LYS 40 -7.223 12.473 -6.937 270 HZ3 LYS 40 3HZ LYS 40 -8.730 13.065 -7.428 271 H CYS 41 H CYS 41 -12.271 6.628 -6.195 272 HA CYS 41 HA CYS 41 -15.072 7.444 -5.857 273 HB2 CYS 41 1HB CYS 41 -14.110 7.522 -8.151 274 HB3 CYS 41 2HB CYS 41 -13.838 5.786 -8.065 275 HG CYS 41 HG CYS 41 -16.935 7.221 -7.842 276 H GLY 42 H GLY 42 -12.861 4.837 -5.368 277 HA2 GLY 42 1HA GLY 42 -13.578 3.210 -3.657 278 HA3 GLY 42 2HA GLY 42 -15.118 3.137 -4.501 279 H ASP 43 H ASP 43 -13.965 3.103 -7.151 280 HA ASP 43 HA ASP 43 -13.797 0.393 -7.627 281 HB2 ASP 43 1HB ASP 43 -12.864 2.794 -9.161 282 HB3 ASP 43 2HB ASP 43 -12.484 1.179 -9.753 283 H TYR 44 H TYR 44 -12.438 -0.778 -6.347 284 HA TYR 44 HA TYR 44 -9.675 -0.010 -6.004 285 HB2 TYR 44 1HB TYR 44 -10.995 -2.600 -5.182 286 HB3 TYR 44 2HB TYR 44 -9.496 -1.923 -4.557 287 HD1 TYR 44 1HD TYR 44 -9.988 0.733 -3.807 288 HD2 TYR 44 2HD TYR 44 -12.687 -2.551 -3.626 289 HE1 TYR 44 1HE TYR 44 -11.241 1.869 -2.022 290 HE2 TYR 44 2HE TYR 44 -13.949 -1.424 -1.841 291 HH TYR 44 HH TYR 44 -14.179 0.434 -0.641 292 H GLY 45 H GLY 45 -11.446 -2.639 -7.611 293 HA2 GLY 45 1HA GLY 45 -9.349 -4.149 -8.561 294 HA3 GLY 45 2HA GLY 45 -10.870 -3.942 -9.415 295 H GLY 46 H GLY 46 -10.588 -1.112 -9.855 296 HA2 GLY 46 1HA GLY 46 -8.855 -1.248 -12.174 297 HA3 GLY 46 2HA GLY 46 -9.940 0.069 -11.755 298 H ALA 47 H ALA 47 -9.166 1.001 -9.422 299 HA ALA 47 HA ALA 47 -7.096 2.678 -9.815 300 HB1 ALA 47 1HB ALA 47 -6.947 3.004 -7.461 301 HB2 ALA 47 2HB ALA 47 -8.630 2.628 -7.834 302 HB3 ALA 47 3HB ALA 47 -7.584 1.392 -7.136 303 H LEU 48 H LEU 48 -6.768 -0.515 -8.263 304 HA LEU 48 HA LEU 48 -4.031 -0.484 -7.835 305 HB2 LEU 48 1HB LEU 48 -5.673 -2.197 -7.035 306 HB3 LEU 48 2HB LEU 48 -5.638 -2.897 -8.652 307 HG LEU 48 HG LEU 48 -4.227 -4.018 -6.849 308 HD11 LEU 48 1HD1 LEU 48 -3.791 -3.580 -9.614 309 HD12 LEU 48 2HD1 LEU 48 -3.309 -4.961 -8.630 310 HD13 LEU 48 3HD1 LEU 48 -2.221 -3.585 -8.810 311 HD21 LEU 48 1HD2 LEU 48 -2.321 -3.047 -6.052 312 HD22 LEU 48 2HD2 LEU 48 -3.337 -1.614 -6.215 313 HD23 LEU 48 3HD2 LEU 48 -2.137 -1.991 -7.452 314 H ALA 49 H ALA 49 -5.742 -1.900 -10.628 315 HA ALA 49 HA ALA 49 -3.708 -2.779 -12.169 316 HB1 ALA 49 1HB ALA 49 -6.274 -1.433 -12.859 317 HB2 ALA 49 2HB ALA 49 -5.118 -1.779 -14.146 318 HB3 ALA 49 3HB ALA 49 -5.753 -3.092 -13.155 319 H ALA 50 H ALA 50 -4.836 0.602 -12.122 320 HA ALA 50 HA ALA 50 -2.993 1.652 -13.921 321 HB1 ALA 50 1HB ALA 50 -3.450 3.611 -11.937 322 HB2 ALA 50 2HB ALA 50 -4.226 3.448 -13.512 323 HB3 ALA 50 3HB ALA 50 -4.932 2.667 -12.097 324 H TYR 51 H TYR 51 -2.789 1.767 -10.357 325 HA TYR 51 HA TYR 51 -0.292 2.855 -10.082 326 HB2 TYR 51 1HB TYR 51 -1.708 0.773 -8.426 327 HB3 TYR 51 2HB TYR 51 -0.148 1.438 -7.952 328 HD1 TYR 51 1HD TYR 51 -0.421 4.265 -8.648 329 HD2 TYR 51 2HD TYR 51 -3.251 1.609 -6.904 330 HE1 TYR 51 1HE TYR 51 -1.553 6.175 -7.591 331 HE2 TYR 51 2HE TYR 51 -4.391 3.512 -5.843 332 HH TYR 51 HH TYR 51 -4.255 6.449 -6.698 333 H THR 52 H THR 52 -1.119 -0.497 -10.787 334 HA THR 52 HA THR 52 1.395 -1.662 -10.466 335 HB THR 52 HB THR 52 -0.734 -2.417 -12.477 336 HG1 THR 52 1HG THR 52 -1.149 -2.358 -10.042 337 HG21 THR 52 1HG2 THR 52 1.171 -3.593 -13.139 338 HG22 THR 52 2HG2 THR 52 0.349 -4.725 -12.065 339 HG23 THR 52 3HG2 THR 52 1.734 -3.802 -11.482 340 H GLN 53 H GLN 53 -0.103 -0.581 -13.522 341 HA GLN 53 HA GLN 53 2.014 -0.969 -15.219 342 HB2 GLN 53 1HB GLN 53 0.278 1.486 -15.392 343 HB3 GLN 53 2HB GLN 53 0.998 0.567 -16.708 344 HG2 GLN 53 1HG GLN 53 -0.492 -1.366 -15.806 345 HG3 GLN 53 2HG GLN 53 -1.401 -0.056 -15.053 346 HE21 GLN 53 1HE2 GLN 53 -2.163 1.662 -16.485 347 HE22 GLN 53 2HE2 GLN 53 -2.626 1.254 -18.099 348 H ALA 54 H ALA 54 1.289 2.083 -13.518 349 HA ALA 54 HA ALA 54 3.418 3.606 -14.272 350 HB1 ALA 54 1HB ALA 54 2.519 4.996 -12.798 351 HB2 ALA 54 2HB ALA 54 1.505 3.682 -12.201 352 HB3 ALA 54 3HB ALA 54 3.078 3.986 -11.464 353 H LEU 55 H LEU 55 3.388 1.284 -11.574 354 HA LEU 55 HA LEU 55 6.031 1.673 -10.744 355 HB2 LEU 55 1HB LEU 55 4.051 -0.537 -10.481 356 HB3 LEU 55 2HB LEU 55 5.724 -0.835 -10.015 357 HG LEU 55 HG LEU 55 4.108 1.432 -8.874 358 HD11 LEU 55 1HD1 LEU 55 3.203 -1.003 -8.540 359 HD12 LEU 55 2HD1 LEU 55 3.290 0.120 -7.183 360 HD13 LEU 55 3HD1 LEU 55 4.534 -1.114 -7.387 361 HD21 LEU 55 1HD2 LEU 55 5.777 1.510 -7.201 362 HD22 LEU 55 2HD2 LEU 55 6.631 1.412 -8.742 363 HD23 LEU 55 3HD2 LEU 55 6.478 -0.021 -7.725 364 H GLY 56 H GLY 56 4.680 -0.256 -13.336 365 HA2 GLY 56 1HA GLY 56 7.191 -1.615 -13.852 366 HA3 GLY 56 2HA GLY 56 5.704 -1.780 -14.774 367 H LEU 57 H LEU 57 7.175 1.311 -14.029 368 HA LEU 57 HA LEU 57 8.174 1.520 -16.778 369 HB2 LEU 57 1HB LEU 57 6.440 3.585 -15.430 370 HB3 LEU 57 2HB LEU 57 7.188 3.739 -17.019 371 HG LEU 57 HG LEU 57 5.073 1.712 -16.293 372 HD11 LEU 57 1HD1 LEU 57 4.525 4.277 -16.411 373 HD12 LEU 57 2HD1 LEU 57 3.464 3.086 -17.163 374 HD13 LEU 57 3HD1 LEU 57 4.611 3.992 -18.150 375 HD21 LEU 57 1HD2 LEU 57 5.028 1.870 -18.963 376 HD22 LEU 57 2HD2 LEU 57 6.028 0.712 -18.085 377 HD23 LEU 57 3HD2 LEU 57 6.736 2.213 -18.686 378 H ASP 58 H ASP 58 9.819 3.077 -17.084 379 HA ASP 58 HA ASP 58 11.631 3.333 -14.955 380 HB2 ASP 58 1HB ASP 58 11.444 4.572 -17.684 381 HB3 ASP 58 2HB ASP 58 12.691 5.093 -16.555 382 H ALA 59 H ALA 59 10.510 4.282 -13.217 383 HA ALA 59 HA ALA 59 10.003 7.170 -13.524 384 HB1 ALA 59 1HB ALA 59 8.699 5.354 -11.505 385 HB2 ALA 59 2HB ALA 59 8.296 7.035 -11.860 386 HB3 ALA 59 3HB ALA 59 7.980 5.781 -13.058 387 H THR 60 H THR 60 10.494 8.512 -11.688 388 HA THR 60 HA THR 60 13.015 8.232 -10.650 389 HB THR 60 HB THR 60 12.137 9.773 -8.748 390 HG1 THR 60 1HG THR 60 9.929 9.939 -10.538 391 HG21 THR 60 1HG2 THR 60 13.148 11.184 -10.153 392 HG22 THR 60 2HG2 THR 60 11.573 11.446 -10.902 393 HG23 THR 60 3HG2 THR 60 12.670 10.230 -11.556 394 HA PRO 61 HA PRO 61 12.922 5.316 -7.370 395 HB2 PRO 61 1HB PRO 61 14.660 6.423 -5.601 396 HB3 PRO 61 2HB PRO 61 15.176 5.687 -7.123 397 HG2 PRO 61 1HG PRO 61 14.762 8.577 -6.461 398 HG3 PRO 61 2HG PRO 61 16.077 7.816 -7.376 399 HD2 PRO 61 1HD PRO 61 14.006 9.080 -8.579 400 HD3 PRO 61 2HD PRO 61 14.825 7.683 -9.307 401 H GLN 62 H GLN 62 11.766 8.473 -6.947 402 HA GLN 62 HA GLN 62 10.952 8.045 -4.178 403 HB2 GLN 62 1HB GLN 62 11.851 10.267 -5.167 404 HB3 GLN 62 2HB GLN 62 10.233 10.447 -5.831 405 HG2 GLN 62 1HG GLN 62 9.542 9.946 -3.331 406 HG3 GLN 62 2HG GLN 62 11.158 10.577 -3.018 407 HE21 GLN 62 1HE2 GLN 62 9.873 12.228 -1.877 408 HE22 GLN 62 2HE2 GLN 62 9.305 13.587 -2.780 409 H ASP 63 H ASP 63 9.593 8.289 -7.408 410 HA ASP 63 HA ASP 63 6.866 8.188 -6.499 411 HB2 ASP 63 1HB ASP 63 8.248 8.256 -9.135 412 HB3 ASP 63 2HB ASP 63 6.614 7.600 -9.091 413 H GLN 64 H GLN 64 9.316 5.903 -7.379 414 HA GLN 64 HA GLN 64 7.646 3.701 -7.981 415 HB2 GLN 64 1HB GLN 64 10.517 4.022 -7.201 416 HB3 GLN 64 2HB GLN 64 9.804 2.414 -7.217 417 HG2 GLN 64 1HG GLN 64 9.311 2.568 -9.537 418 HG3 GLN 64 2HG GLN 64 9.733 4.279 -9.572 419 HE21 GLN 64 1HE2 GLN 64 11.155 3.686 -11.315 420 HE22 GLN 64 2HE2 GLN 64 12.716 3.036 -10.964 421 H ALA 65 H ALA 65 9.215 4.761 -4.981 422 HA ALA 65 HA ALA 65 8.330 2.593 -3.396 423 HB1 ALA 65 1HB ALA 65 9.090 3.838 -1.519 424 HB2 ALA 65 2HB ALA 65 10.208 4.165 -2.845 425 HB3 ALA 65 3HB ALA 65 8.987 5.359 -2.406 426 H VAL 66 H VAL 66 7.150 5.960 -3.555 427 HA VAL 66 HA VAL 66 5.014 5.813 -1.859 428 HB VAL 66 HB VAL 66 5.627 7.902 -2.907 429 HG11 VAL 66 1HG1 VAL 66 5.263 8.396 -5.217 430 HG12 VAL 66 2HG1 VAL 66 6.193 6.899 -5.125 431 HG13 VAL 66 3HG1 VAL 66 4.465 6.845 -5.478 432 HG21 VAL 66 1HG2 VAL 66 2.813 6.996 -3.471 433 HG22 VAL 66 2HG2 VAL 66 3.408 7.891 -2.072 434 HG23 VAL 66 3HG2 VAL 66 3.339 8.670 -3.653 435 H LEU 67 H LEU 67 5.171 4.691 -5.200 436 HA LEU 67 HA LEU 67 2.414 4.057 -5.437 437 HB2 LEU 67 1HB LEU 67 4.883 3.315 -6.953 438 HB3 LEU 67 2HB LEU 67 3.352 2.518 -7.307 439 HG LEU 67 HG LEU 67 3.629 5.509 -7.380 440 HD11 LEU 67 1HD1 LEU 67 5.246 4.946 -8.942 441 HD12 LEU 67 2HD1 LEU 67 3.784 5.075 -9.920 442 HD13 LEU 67 3HD1 LEU 67 4.393 3.488 -9.451 443 HD21 LEU 67 1HD2 LEU 67 1.535 5.507 -8.172 444 HD22 LEU 67 2HD2 LEU 67 1.441 3.878 -7.501 445 HD23 LEU 67 3HD2 LEU 67 1.825 4.108 -9.207 446 H HIS 68 H HIS 68 5.261 2.237 -4.432 447 HA HIS 68 HA HIS 68 4.163 -0.324 -4.368 448 HB2 HIS 68 1HB HIS 68 6.418 1.035 -2.976 449 HB3 HIS 68 2HB HIS 68 5.876 -0.513 -2.333 450 HD1 HIS 68 1HD HIS 68 5.426 -2.190 -4.746 451 HD2 HIS 68 2HD HIS 68 8.585 0.496 -4.486 452 HE1 HIS 68 1HE HIS 68 7.138 -3.005 -6.397 453 HE2 HIS 68 2HE HIS 68 9.076 -1.413 -6.161 454 H ARG 69 H ARG 69 4.228 2.174 -1.844 455 HA ARG 69 HA ARG 69 2.835 0.608 0.079 456 HB2 ARG 69 1HB ARG 69 2.627 2.696 1.337 457 HB3 ARG 69 2HB ARG 69 4.263 2.488 0.727 458 HG2 ARG 69 1HG ARG 69 4.104 4.246 -0.708 459 HG3 ARG 69 2HG ARG 69 2.364 4.051 -0.928 460 HD2 ARG 69 1HD ARG 69 1.853 5.272 0.935 461 HD3 ARG 69 2HD ARG 69 3.349 4.838 1.761 462 HE ARG 69 HE ARG 69 4.268 6.387 -0.205 463 HH11 ARG 69 2HH1 ARG 69 1.607 6.826 1.997 464 HH12 ARG 69 1HH1 ARG 69 1.729 8.554 2.006 465 HH21 ARG 69 2HH2 ARG 69 4.438 8.662 -0.201 466 HH22 ARG 69 1HH2 ARG 69 3.339 9.597 0.755 467 H ASN 70 H ASN 70 1.857 2.855 -2.429 468 HA ASN 70 HA ASN 70 -0.781 3.318 -1.627 469 HB2 ASN 70 1HB ASN 70 0.657 3.403 -4.249 470 HB3 ASN 70 2HB ASN 70 -1.099 3.534 -4.237 471 HD21 ASN 70 1HD2 ASN 70 -1.867 5.106 -2.421 472 HD22 ASN 70 2HD2 ASN 70 -1.062 6.634 -2.410 473 H ARG 71 H ARG 71 0.492 0.869 -3.880 474 HA ARG 71 HA ARG 71 -1.775 -0.413 -4.645 475 HB2 ARG 71 1HB ARG 71 0.952 -1.471 -3.970 476 HB3 ARG 71 2HB ARG 71 -0.327 -2.568 -4.474 477 HG2 ARG 71 1HG ARG 71 -0.591 -1.126 -6.526 478 HG3 ARG 71 2HG ARG 71 0.900 -0.318 -6.039 479 HD2 ARG 71 1HD ARG 71 1.662 -1.946 -7.500 480 HD3 ARG 71 2HD ARG 71 1.875 -2.712 -5.926 481 HE ARG 71 HE ARG 71 -0.652 -3.406 -6.879 482 HH11 ARG 71 2HH1 ARG 71 2.695 -3.913 -7.694 483 HH12 ARG 71 1HH1 ARG 71 2.415 -5.454 -8.435 484 HH21 ARG 71 2HH2 ARG 71 -1.032 -5.433 -7.852 485 HH22 ARG 71 1HH2 ARG 71 0.295 -6.318 -8.525 486 H ALA 72 H ALA 72 -0.067 -0.861 -1.574 487 HA ALA 72 HA ALA 72 -1.431 -2.971 -0.485 488 HB1 ALA 72 1HB ALA 72 0.448 -1.353 0.459 489 HB2 ALA 72 2HB ALA 72 -0.935 -0.663 1.311 490 HB3 ALA 72 3HB ALA 72 -0.533 -2.368 1.517 491 H ALA 73 H ALA 73 -2.433 0.431 -0.528 492 HA ALA 73 HA ALA 73 -4.674 0.343 1.055 493 HB1 ALA 73 1HB ALA 73 -5.271 2.355 0.142 494 HB2 ALA 73 2HB ALA 73 -3.577 2.280 -0.347 495 HB3 ALA 73 3HB ALA 73 -4.846 1.863 -1.498 496 H CYS 74 H CYS 74 -4.688 -0.090 -2.490 497 HA CYS 74 HA CYS 74 -7.340 -0.810 -2.779 498 HB2 CYS 74 1HB CYS 74 -4.957 -1.788 -4.365 499 HB3 CYS 74 2HB CYS 74 -6.635 -1.944 -4.871 500 HG CYS 74 HG CYS 74 -4.577 0.555 -5.327 501 H HIS 75 H HIS 75 -4.544 -2.934 -2.225 502 HA HIS 75 HA HIS 75 -5.773 -5.393 -2.329 503 HB2 HIS 75 1HB HIS 75 -3.477 -4.350 -0.701 504 HB3 HIS 75 2HB HIS 75 -4.036 -6.006 -0.484 505 HD1 HIS 75 1HD HIS 75 -4.086 -7.436 -2.836 506 HD2 HIS 75 2HD HIS 75 -1.657 -4.069 -2.685 507 HE1 HIS 75 1HE HIS 75 -2.444 -7.706 -4.722 508 HE2 HIS 75 2HE HIS 75 -0.931 -5.699 -4.558 509 H LEU 76 H LEU 76 -5.128 -3.664 0.727 510 HA LEU 76 HA LEU 76 -6.482 -5.133 2.511 511 HB2 LEU 76 1HB LEU 76 -6.425 -2.143 2.228 512 HB3 LEU 76 2HB LEU 76 -7.176 -2.940 3.609 513 HG LEU 76 HG LEU 76 -4.311 -3.465 2.891 514 HD11 LEU 76 1HD1 LEU 76 -5.487 -1.041 4.121 515 HD12 LEU 76 2HD1 LEU 76 -4.018 -1.232 3.163 516 HD13 LEU 76 3HD1 LEU 76 -4.029 -1.702 4.862 517 HD21 LEU 76 1HD2 LEU 76 -4.451 -4.798 4.657 518 HD22 LEU 76 2HD2 LEU 76 -6.130 -4.323 4.916 519 HD23 LEU 76 3HD2 LEU 76 -4.825 -3.400 5.665 520 H LYS 77 H LYS 77 -7.981 -2.878 0.234 521 HA LYS 77 HA LYS 77 -10.629 -3.203 1.185 522 HB2 LYS 77 1HB LYS 77 -9.700 -2.391 -1.576 523 HB3 LYS 77 2HB LYS 77 -11.308 -2.137 -0.909 524 HG2 LYS 77 1HG LYS 77 -8.853 -0.979 0.370 525 HG3 LYS 77 2HG LYS 77 -9.724 -0.153 -0.925 526 HD2 LYS 77 1HD LYS 77 -11.730 -0.078 0.397 527 HD3 LYS 77 2HD LYS 77 -10.994 -1.081 1.649 528 HE2 LYS 77 1HE LYS 77 -9.228 0.799 1.788 529 HE3 LYS 77 2HE LYS 77 -10.423 1.773 0.932 530 HZ1 LYS 77 1HZ LYS 77 -10.309 1.177 3.665 531 HZ2 LYS 77 2HZ LYS 77 -11.712 0.467 3.042 532 HZ3 LYS 77 3HZ LYS 77 -11.445 2.126 2.847 533 H LEU 78 H LEU 78 -8.771 -4.789 -1.374 534 HA LEU 78 HA LEU 78 -10.995 -6.479 -2.120 535 HB2 LEU 78 1HB LEU 78 -8.103 -6.640 -2.955 536 HB3 LEU 78 2HB LEU 78 -9.462 -7.466 -3.715 537 HG LEU 78 HG LEU 78 -9.433 -4.481 -3.605 538 HD11 LEU 78 1HD1 LEU 78 -7.328 -5.939 -4.726 539 HD12 LEU 78 2HD1 LEU 78 -7.715 -4.238 -4.985 540 HD13 LEU 78 3HD1 LEU 78 -8.355 -5.464 -6.079 541 HD21 LEU 78 1HD2 LEU 78 -10.311 -6.105 -5.930 542 HD22 LEU 78 2HD2 LEU 78 -10.983 -4.614 -5.269 543 HD23 LEU 78 3HD2 LEU 78 -11.298 -6.155 -4.469 544 H GLU 79 H GLU 79 -10.431 -6.768 0.572 545 HA GLU 79 HA GLU 79 -9.688 -8.235 2.197 546 HB2 GLU 79 1HB GLU 79 -11.295 -9.700 0.168 547 HB3 GLU 79 2HB GLU 79 -10.491 -10.657 1.404 548 HG2 GLU 79 1HG GLU 79 -11.675 -9.597 3.141 549 HG3 GLU 79 2HG GLU 79 -12.246 -8.317 2.072 550 H ASP 80 H ASP 80 -7.634 -7.648 0.238 551 HA ASP 80 HA ASP 80 -6.199 -10.218 0.147 552 HB2 ASP 80 1HB ASP 80 -5.964 -7.727 -1.535 553 HB3 ASP 80 2HB ASP 80 -4.714 -8.968 -1.523 554 H TYR 81 H TYR 81 -6.350 -8.801 2.563 555 HA TYR 81 HA TYR 81 -4.479 -6.980 3.254 556 HB2 TYR 81 1HB TYR 81 -5.038 -9.518 4.803 557 HB3 TYR 81 2HB TYR 81 -4.355 -8.035 5.461 558 HD1 TYR 81 2HD TYR 81 -5.756 -6.071 5.816 559 HD2 TYR 81 1HD TYR 81 -7.399 -9.687 4.290 560 HE1 TYR 81 2HE TYR 81 -8.019 -5.244 6.309 561 HE2 TYR 81 1HE TYR 81 -9.667 -8.869 4.778 562 HH TYR 81 HH TYR 81 -10.894 -7.170 5.510 563 H ASP 82 H ASP 82 -3.867 -10.461 2.877 564 HA ASP 82 HA ASP 82 -1.262 -10.677 3.611 565 HB2 ASP 82 1HB ASP 82 -2.599 -12.561 2.773 566 HB3 ASP 82 2HB ASP 82 -2.497 -11.911 1.139 567 H LYS 83 H LYS 83 -2.354 -9.728 0.353 568 HA LYS 83 HA LYS 83 0.131 -9.257 -0.781 569 HB2 LYS 83 1HB LYS 83 -2.563 -8.003 -1.277 570 HB3 LYS 83 2HB LYS 83 -1.149 -7.573 -2.231 571 HG2 LYS 83 1HG LYS 83 -2.455 -10.274 -2.014 572 HG3 LYS 83 2HG LYS 83 -2.383 -9.220 -3.428 573 HD2 LYS 83 1HD LYS 83 -0.668 -10.614 -3.960 574 HD3 LYS 83 2HD LYS 83 0.232 -9.463 -2.970 575 HE2 LYS 83 1HE LYS 83 0.914 -11.389 -1.973 576 HE3 LYS 83 2HE LYS 83 -0.553 -11.108 -1.037 577 HZ1 LYS 83 1HZ LYS 83 -0.457 -13.385 -1.777 578 HZ2 LYS 83 2HZ LYS 83 -0.293 -12.902 -3.389 579 HZ3 LYS 83 3HZ LYS 83 -1.734 -12.597 -2.557 580 H ALA 84 H ALA 84 -1.940 -7.032 1.049 581 HA ALA 84 HA ALA 84 -0.507 -4.692 0.779 582 HB1 ALA 84 1HB ALA 84 -2.309 -4.143 1.979 583 HB2 ALA 84 2HB ALA 84 -2.445 -5.758 2.676 584 HB3 ALA 84 3HB ALA 84 -1.345 -4.579 3.391 585 H GLU 85 H GLU 85 0.071 -7.386 2.993 586 HA GLU 85 HA GLU 85 2.001 -6.283 4.633 587 HB2 GLU 85 1HB GLU 85 1.029 -8.524 4.956 588 HB3 GLU 85 2HB GLU 85 1.921 -9.108 3.558 589 HG2 GLU 85 1HG GLU 85 3.452 -7.842 5.761 590 HG3 GLU 85 2HG GLU 85 2.796 -9.457 6.018 591 H THR 86 H THR 86 2.442 -7.864 1.485 592 HA THR 86 HA THR 86 5.273 -7.454 1.450 593 HB THR 86 HB THR 86 3.499 -8.037 -0.925 594 HG1 THR 86 1HG THR 86 4.345 -9.643 1.201 595 HG21 THR 86 1HG2 THR 86 5.558 -7.639 -1.847 596 HG22 THR 86 2HG2 THR 86 5.741 -9.347 -1.449 597 HG23 THR 86 3HG2 THR 86 6.425 -8.116 -0.388 598 H GLU 87 H GLU 87 2.481 -5.785 0.082 599 HA GLU 87 HA GLU 87 3.906 -3.983 -1.551 600 HB2 GLU 87 1HB GLU 87 1.165 -3.926 -0.316 601 HB3 GLU 87 2HB GLU 87 1.769 -2.566 -1.252 602 HG2 GLU 87 1HG GLU 87 1.588 -5.384 -2.289 603 HG3 GLU 87 2HG GLU 87 0.354 -4.150 -2.535 604 H ALA 88 H ALA 88 3.066 -3.955 1.847 605 HA ALA 88 HA ALA 88 3.883 -1.211 2.231 606 HB1 ALA 88 1HB ALA 88 2.257 -2.958 3.623 607 HB2 ALA 88 2HB ALA 88 3.682 -2.801 4.650 608 HB3 ALA 88 3HB ALA 88 2.784 -1.363 4.163 609 H SER 89 H SER 89 5.221 -4.424 2.770 610 HA SER 89 HA SER 89 7.537 -3.478 4.168 611 HB2 SER 89 1HB SER 89 6.858 -5.706 4.659 612 HB3 SER 89 2HB SER 89 6.804 -6.142 2.951 613 HG SER 89 HG SER 89 9.053 -5.706 4.599 614 H LYS 90 H LYS 90 6.646 -3.895 0.865 615 HA LYS 90 HA LYS 90 9.383 -3.865 -0.100 616 HB2 LYS 90 1HB LYS 90 8.516 -4.284 -2.223 617 HB3 LYS 90 2HB LYS 90 7.384 -5.116 -1.163 618 HG2 LYS 90 1HG LYS 90 5.968 -3.007 -1.282 619 HG3 LYS 90 2HG LYS 90 7.011 -2.520 -2.619 620 HD2 LYS 90 1HD LYS 90 5.347 -5.033 -2.470 621 HD3 LYS 90 2HD LYS 90 5.010 -3.612 -3.461 622 HE2 LYS 90 1HE LYS 90 7.464 -4.115 -4.335 623 HE3 LYS 90 2HE LYS 90 7.047 -5.746 -3.814 624 HZ1 LYS 90 1HZ LYS 90 5.293 -5.857 -5.319 625 HZ2 LYS 90 2HZ LYS 90 6.518 -5.095 -6.201 626 HZ3 LYS 90 3HZ LYS 90 5.246 -4.183 -5.559 627 H ALA 91 H ALA 91 6.806 -1.642 0.509 628 HA ALA 91 HA ALA 91 7.897 0.464 -1.141 629 HB1 ALA 91 1HB ALA 91 5.408 0.013 -0.400 630 HB2 ALA 91 2HB ALA 91 5.878 1.017 0.972 631 HB3 ALA 91 3HB ALA 91 6.002 1.652 -0.669 632 H ILE 92 H ILE 92 7.903 -0.448 2.255 633 HA ILE 92 HA ILE 92 8.990 1.943 3.284 634 HB ILE 92 HB ILE 92 9.107 -0.882 4.337 635 HG12 ILE 92 1HG1 ILE 92 7.526 1.414 5.462 636 HG13 ILE 92 2HG1 ILE 92 6.898 0.465 4.118 637 HG21 ILE 92 1HG2 ILE 92 10.708 -0.179 5.717 638 HG22 ILE 92 2HG2 ILE 92 10.513 1.498 5.207 639 HG23 ILE 92 3HG2 ILE 92 9.479 0.836 6.473 640 HD11 ILE 92 1HD1 ILE 92 7.848 -0.931 6.570 641 HD12 ILE 92 2HD1 ILE 92 6.273 -0.138 6.568 642 HD13 ILE 92 3HD1 ILE 92 6.619 -1.413 5.401 643 H GLU 93 H GLU 93 10.585 -1.172 2.580 644 HA GLU 93 HA GLU 93 13.182 -0.515 3.133 645 HB2 GLU 93 1HB GLU 93 13.842 -2.196 1.448 646 HB3 GLU 93 2HB GLU 93 12.538 -2.760 2.483 647 HG2 GLU 93 1HG GLU 93 10.925 -2.197 0.708 648 HG3 GLU 93 2HG GLU 93 12.270 -1.730 -0.331 649 H LYS 94 H LYS 94 11.443 0.078 0.096 650 HA LYS 94 HA LYS 94 13.466 1.100 -1.458 651 HB2 LYS 94 1HB LYS 94 10.532 1.568 -1.305 652 HB3 LYS 94 2HB LYS 94 11.480 2.695 -2.267 653 HG2 LYS 94 1HG LYS 94 11.897 -0.214 -2.697 654 HG3 LYS 94 2HG LYS 94 10.422 0.529 -3.320 655 HD2 LYS 94 1HD LYS 94 11.821 2.215 -4.483 656 HD3 LYS 94 2HD LYS 94 13.260 1.352 -3.935 657 HE2 LYS 94 1HE LYS 94 13.009 0.422 -6.007 658 HE3 LYS 94 2HE LYS 94 12.038 -0.698 -5.053 659 HZ1 LYS 94 1HZ LYS 94 11.231 1.073 -7.144 660 HZ2 LYS 94 2HZ LYS 94 10.297 1.286 -5.751 661 HZ3 LYS 94 3HZ LYS 94 10.406 -0.241 -6.470 662 H ASP 95 H ASP 95 11.407 2.903 0.816 663 HA ASP 95 HA ASP 95 13.048 5.278 0.496 664 HB2 ASP 95 1HB ASP 95 10.746 4.888 2.411 665 HB3 ASP 95 2HB ASP 95 11.413 6.409 1.824 666 H GLY 96 H GLY 96 11.866 3.514 3.369 667 HA2 GLY 96 1HA GLY 96 13.638 2.546 4.837 668 HA3 GLY 96 2HA GLY 96 14.481 4.074 4.628 669 H GLY 97 H GLY 97 12.540 5.935 4.986 670 HA2 GLY 97 1HA GLY 97 11.543 5.352 7.707 671 HA3 GLY 97 2HA GLY 97 12.269 6.894 7.275 672 H ASP 98 H ASP 98 9.653 4.744 6.157 673 HA ASP 98 HA ASP 98 7.973 7.144 5.840 674 HB2 ASP 98 1HB ASP 98 8.514 6.269 3.646 675 HB3 ASP 98 2HB ASP 98 8.022 4.649 4.132 676 H VAL 99 H VAL 99 6.720 7.103 7.616 677 HA VAL 99 HA VAL 99 5.826 4.756 8.914 678 HB VAL 99 HB VAL 99 4.564 6.142 10.336 679 HG11 VAL 99 1HG1 VAL 99 6.694 8.065 9.470 680 HG12 VAL 99 2HG1 VAL 99 6.134 7.683 11.100 681 HG13 VAL 99 3HG1 VAL 99 7.109 6.517 10.205 682 HG21 VAL 99 1HG2 VAL 99 4.212 8.614 9.629 683 HG22 VAL 99 2HG2 VAL 99 4.459 8.001 7.994 684 HG23 VAL 99 3HG2 VAL 99 3.142 7.371 8.982 685 H LYS 100 H LYS 100 4.536 6.677 6.311 686 HA LYS 100 HA LYS 100 1.872 6.119 6.288 687 HB2 LYS 100 1HB LYS 100 3.753 6.071 3.922 688 HB3 LYS 100 2HB LYS 100 2.001 6.169 3.805 689 HG2 LYS 100 1HG LYS 100 3.683 8.199 5.252 690 HG3 LYS 100 2HG LYS 100 3.214 8.341 3.556 691 HD2 LYS 100 1HD LYS 100 0.998 8.698 4.059 692 HD3 LYS 100 2HD LYS 100 1.101 7.844 5.601 693 HE2 LYS 100 1HE LYS 100 2.445 10.487 5.068 694 HE3 LYS 100 2HE LYS 100 0.829 10.341 5.757 695 HZ1 LYS 100 1HZ LYS 100 2.108 8.756 7.401 696 HZ2 LYS 100 2HZ LYS 100 2.051 10.428 7.651 697 HZ3 LYS 100 3HZ LYS 100 3.422 9.724 6.955 698 H ALA 101 H ALA 101 4.307 4.072 4.666 699 HA ALA 101 HA ALA 101 2.533 1.947 4.136 700 HB1 ALA 101 1HB ALA 101 4.600 0.626 3.725 701 HB2 ALA 101 2HB ALA 101 4.552 2.163 2.862 702 HB3 ALA 101 3HB ALA 101 5.541 1.997 4.313 703 H LEU 102 H LEU 102 4.884 2.463 6.746 704 HA LEU 102 HA LEU 102 4.742 0.055 8.055 705 HB2 LEU 102 1HB LEU 102 5.188 2.857 8.932 706 HB3 LEU 102 2HB LEU 102 4.913 1.640 10.177 707 HG LEU 102 HG LEU 102 6.997 1.119 8.111 708 HD11 LEU 102 1HD1 LEU 102 7.471 2.863 10.522 709 HD12 LEU 102 2HD1 LEU 102 7.348 3.459 8.866 710 HD13 LEU 102 3HD1 LEU 102 8.655 2.363 9.314 711 HD21 LEU 102 1HD2 LEU 102 6.794 0.536 11.064 712 HD22 LEU 102 2HD2 LEU 102 8.065 -0.025 9.977 713 HD23 LEU 102 3HD2 LEU 102 6.407 -0.589 9.762 714 H TYR 103 H TYR 103 2.739 2.900 8.854 715 HA TYR 103 HA TYR 103 1.068 1.785 10.707 716 HB2 TYR 103 1HB TYR 103 0.962 4.142 10.176 717 HB3 TYR 103 2HB TYR 103 0.381 3.792 8.552 718 HD1 TYR 103 2HD TYR 103 -0.730 2.253 11.747 719 HD2 TYR 103 1HD TYR 103 -1.713 4.846 8.520 720 HE1 TYR 103 2HE TYR 103 -3.049 2.371 12.557 721 HE2 TYR 103 1HE TYR 103 -4.035 4.972 9.322 722 HH TYR 103 HH TYR 103 -5.320 4.635 11.301 723 H ARG 104 H ARG 104 0.851 1.530 7.195 724 HA ARG 104 HA ARG 104 -1.646 0.150 7.188 725 HB2 ARG 104 1HB ARG 104 0.509 0.526 5.114 726 HB3 ARG 104 2HB ARG 104 -0.937 -0.426 4.804 727 HG2 ARG 104 1HG ARG 104 -2.174 1.729 5.605 728 HG3 ARG 104 2HG ARG 104 -0.648 2.512 5.191 729 HD2 ARG 104 1HD ARG 104 -0.916 1.141 2.969 730 HD3 ARG 104 2HD ARG 104 -2.618 1.128 3.431 731 HE ARG 104 HE ARG 104 -1.145 3.335 2.391 732 HH11 ARG 104 2HH1 ARG 104 -3.750 2.469 4.532 733 HH12 ARG 104 1HH1 ARG 104 -4.566 3.988 4.364 734 HH21 ARG 104 2HH2 ARG 104 -2.210 5.339 2.162 735 HH22 ARG 104 1HH2 ARG 104 -3.689 5.620 3.016 736 H ARG 105 H ARG 105 1.741 -0.841 7.096 737 HA ARG 105 HA ARG 105 1.471 -3.526 6.509 738 HB2 ARG 105 1HB ARG 105 3.648 -2.490 6.672 739 HB3 ARG 105 2HB ARG 105 3.411 -2.168 8.385 740 HG2 ARG 105 1HG ARG 105 3.752 -4.365 8.985 741 HG3 ARG 105 2HG ARG 105 3.320 -4.977 7.387 742 HD2 ARG 105 1HD ARG 105 5.645 -5.248 7.525 743 HD3 ARG 105 2HD ARG 105 5.417 -3.797 6.551 744 HE ARG 105 HE ARG 105 5.691 -2.779 9.017 745 HH11 ARG 105 2HH1 ARG 105 7.554 -5.127 7.246 746 HH12 ARG 105 1HH1 ARG 105 9.049 -4.717 8.020 747 HH21 ARG 105 2HH2 ARG 105 7.653 -2.231 10.043 748 HH22 ARG 105 1HH2 ARG 105 9.104 -3.071 9.612 749 H SER 106 H SER 106 1.032 -1.872 9.592 750 HA SER 106 HA SER 106 0.751 -4.203 11.174 751 HB2 SER 106 1HB SER 106 -0.277 -2.660 12.843 752 HB3 SER 106 2HB SER 106 1.264 -2.074 12.216 753 HG SER 106 HG SER 106 -1.061 -1.279 10.895 754 H GLN 107 H GLN 107 -1.366 -2.555 9.020 755 HA GLN 107 HA GLN 107 -3.829 -3.478 10.123 756 HB2 GLN 107 1HB GLN 107 -3.342 -2.670 7.258 757 HB3 GLN 107 2HB GLN 107 -4.858 -2.617 8.148 758 HG2 GLN 107 1HG GLN 107 -2.518 -0.997 9.056 759 HG3 GLN 107 2HG GLN 107 -3.542 -0.434 7.736 760 HE21 GLN 107 1HE2 GLN 107 -3.394 1.109 9.905 761 HE22 GLN 107 2HE2 GLN 107 -4.851 1.029 10.829 762 H ALA 108 H ALA 108 -1.705 -4.608 7.525 763 HA ALA 108 HA ALA 108 -3.373 -6.754 6.708 764 HB1 ALA 108 1HB ALA 108 -1.912 -6.385 5.036 765 HB2 ALA 108 2HB ALA 108 -0.643 -5.824 6.125 766 HB3 ALA 108 3HB ALA 108 -0.920 -7.553 5.910 767 H LEU 109 H LEU 109 -0.647 -6.511 8.952 768 HA LEU 109 HA LEU 109 -0.338 -9.238 9.498 769 HB2 LEU 109 1HB LEU 109 0.136 -6.868 11.300 770 HB3 LEU 109 2HB LEU 109 0.727 -8.502 11.596 771 HG LEU 109 HG LEU 109 1.504 -6.919 9.158 772 HD11 LEU 109 1HD1 LEU 109 3.579 -7.090 11.130 773 HD12 LEU 109 2HD1 LEU 109 2.165 -6.281 11.806 774 HD13 LEU 109 3HD1 LEU 109 2.910 -5.668 10.329 775 HD21 LEU 109 1HD2 LEU 109 3.200 -8.513 8.888 776 HD22 LEU 109 2HD2 LEU 109 1.768 -9.454 9.305 777 HD23 LEU 109 3HD2 LEU 109 3.000 -9.134 10.527 778 H GLU 110 H GLU 110 -2.130 -6.783 11.367 779 HA GLU 110 HA GLU 110 -3.188 -8.291 13.359 780 HB2 GLU 110 1HB GLU 110 -4.237 -5.974 11.808 781 HB3 GLU 110 2HB GLU 110 -5.343 -6.803 12.893 782 HG2 GLU 110 1HG GLU 110 -3.352 -6.507 14.593 783 HG3 GLU 110 2HG GLU 110 -2.936 -5.180 13.510 784 H LYS 111 H LYS 111 -4.383 -8.101 10.034 785 HA LYS 111 HA LYS 111 -6.616 -9.817 10.469 786 HB2 LYS 111 1HB LYS 111 -5.273 -8.597 8.111 787 HB3 LYS 111 2HB LYS 111 -6.288 -10.004 7.823 788 HG2 LYS 111 1HG LYS 111 -7.331 -7.703 9.416 789 HG3 LYS 111 2HG LYS 111 -7.309 -7.634 7.653 790 HD2 LYS 111 1HD LYS 111 -8.689 -9.589 7.498 791 HD3 LYS 111 2HD LYS 111 -8.573 -9.867 9.237 792 HE2 LYS 111 1HE LYS 111 -9.610 -7.494 9.424 793 HE3 LYS 111 2HE LYS 111 -10.097 -7.763 7.751 794 HZ1 LYS 111 1HZ LYS 111 -10.827 -10.057 9.008 795 HZ2 LYS 111 2HZ LYS 111 -11.861 -8.777 8.618 796 HZ3 LYS 111 3HZ LYS 111 -11.177 -8.871 10.163 797 H LEU 112 H LEU 112 -3.439 -10.311 8.939 798 HA LEU 112 HA LEU 112 -3.743 -13.013 8.319 799 HB2 LEU 112 1HB LEU 112 -1.290 -11.406 8.996 800 HB3 LEU 112 2HB LEU 112 -1.228 -13.074 8.429 801 HG LEU 112 HG LEU 112 -2.449 -10.813 6.852 802 HD11 LEU 112 1HD1 LEU 112 0.113 -11.960 5.988 803 HD12 LEU 112 2HD1 LEU 112 0.186 -10.962 7.439 804 HD13 LEU 112 3HD1 LEU 112 -0.463 -10.294 5.942 805 HD21 LEU 112 1HD2 LEU 112 -3.237 -12.495 5.627 806 HD22 LEU 112 2HD2 LEU 112 -2.308 -13.686 6.537 807 HD23 LEU 112 3HD2 LEU 112 -1.568 -12.842 5.176 808 H GLY 113 H GLY 113 -3.154 -11.449 11.350 809 HA2 GLY 113 1HA GLY 113 -3.652 -12.608 13.394 810 HA3 GLY 113 2HA GLY 113 -3.094 -14.095 12.639 811 H ARG 114 H ARG 114 -1.362 -11.058 12.417 812 HA ARG 114 HA ARG 114 0.705 -12.174 14.197 813 HB2 ARG 114 1HB ARG 114 1.096 -10.538 11.684 814 HB3 ARG 114 2HB ARG 114 2.382 -11.023 12.780 815 HG2 ARG 114 1HG ARG 114 2.031 -13.338 12.265 816 HG3 ARG 114 2HG ARG 114 0.603 -12.948 11.303 817 HD2 ARG 114 1HD ARG 114 2.135 -13.125 9.627 818 HD3 ARG 114 2HD ARG 114 2.340 -11.418 10.020 819 HE ARG 114 HE ARG 114 4.474 -11.897 10.644 820 HH11 ARG 114 2HH1 ARG 114 2.585 -14.814 10.867 821 HH12 ARG 114 1HH1 ARG 114 3.936 -15.810 11.298 822 HH21 ARG 114 2HH2 ARG 114 6.259 -13.199 11.211 823 HH22 ARG 114 1HH2 ARG 114 6.024 -14.890 11.495 824 H LEU 115 H LEU 115 -0.274 -10.995 15.935 825 HA LEU 115 HA LEU 115 -0.429 -8.123 15.805 826 HB2 LEU 115 1HB LEU 115 -0.579 -9.872 18.250 827 HB3 LEU 115 2HB LEU 115 -1.176 -8.224 18.074 828 HG LEU 115 HG LEU 115 -2.301 -10.657 16.688 829 HD11 LEU 115 1HD1 LEU 115 -2.806 -9.434 19.282 830 HD12 LEU 115 2HD1 LEU 115 -3.288 -11.010 18.656 831 HD13 LEU 115 3HD1 LEU 115 -4.254 -9.582 18.287 832 HD21 LEU 115 1HD2 LEU 115 -2.977 -9.070 15.235 833 HD22 LEU 115 2HD2 LEU 115 -2.730 -7.756 16.385 834 HD23 LEU 115 3HD2 LEU 115 -4.186 -8.747 16.477 835 H ASP 116 H ASP 116 1.792 -10.523 17.082 836 HA ASP 116 HA ASP 116 3.378 -9.019 18.749 837 HB2 ASP 116 1HB ASP 116 3.747 -11.392 18.487 838 HB3 ASP 116 2HB ASP 116 4.201 -11.178 16.799 839 H GLN 117 H GLN 117 3.456 -9.172 15.221 840 HA GLN 117 HA GLN 117 5.708 -7.374 15.044 841 HB2 GLN 117 1HB GLN 117 3.875 -8.568 12.964 842 HB3 GLN 117 2HB GLN 117 5.191 -7.469 12.573 843 HG2 GLN 117 1HG GLN 117 6.261 -9.437 12.254 844 HG3 GLN 117 2HG GLN 117 6.588 -9.221 13.973 845 HE21 GLN 117 1HE2 GLN 117 5.683 -10.593 15.439 846 HE22 GLN 117 2HE2 GLN 117 4.780 -11.999 15.000 847 H ALA 118 H ALA 118 2.220 -7.221 14.446 848 HA ALA 118 HA ALA 118 1.886 -4.775 13.326 849 HB1 ALA 118 1HB ALA 118 -0.188 -4.622 14.908 850 HB2 ALA 118 2HB ALA 118 -0.094 -5.888 13.684 851 HB3 ALA 118 3HB ALA 118 0.291 -6.257 15.365 852 H VAL 119 H VAL 119 2.505 -5.416 16.756 853 HA VAL 119 HA VAL 119 2.282 -2.754 17.650 854 HB VAL 119 HB VAL 119 3.873 -5.051 18.795 855 HG11 VAL 119 1HG1 VAL 119 4.147 -3.814 20.790 856 HG12 VAL 119 2HG1 VAL 119 4.634 -2.735 19.481 857 HG13 VAL 119 3HG1 VAL 119 3.054 -2.544 20.241 858 HG21 VAL 119 1HG2 VAL 119 1.180 -4.839 18.574 859 HG22 VAL 119 2HG2 VAL 119 2.006 -5.725 19.856 860 HG23 VAL 119 3HG2 VAL 119 1.450 -4.076 20.142 861 H LEU 120 H LEU 120 5.275 -4.655 17.231 862 HA LEU 120 HA LEU 120 7.122 -2.667 17.524 863 HB2 LEU 120 1HB LEU 120 7.246 -4.892 15.494 864 HB3 LEU 120 2HB LEU 120 8.619 -3.978 16.113 865 HG LEU 120 HG LEU 120 6.893 -5.562 17.978 866 HD11 LEU 120 1HD1 LEU 120 8.838 -6.589 15.986 867 HD12 LEU 120 2HD1 LEU 120 7.384 -7.339 16.644 868 HD13 LEU 120 3HD1 LEU 120 8.862 -7.288 17.605 869 HD21 LEU 120 1HD2 LEU 120 8.477 -4.042 18.974 870 HD22 LEU 120 2HD2 LEU 120 9.782 -4.695 17.982 871 HD23 LEU 120 3HD2 LEU 120 9.027 -5.700 19.220 872 H ASP 121 H ASP 121 5.599 -3.627 14.449 873 HA ASP 121 HA ASP 121 6.804 -1.815 12.760 874 HB2 ASP 121 1HB ASP 121 3.886 -2.580 12.603 875 HB3 ASP 121 2HB ASP 121 4.944 -2.117 11.274 876 H LEU 122 H LEU 122 3.900 -1.335 14.745 877 HA LEU 122 HA LEU 122 3.366 1.296 13.890 878 HB2 LEU 122 1HB LEU 122 2.610 -0.313 16.297 879 HB3 LEU 122 2HB LEU 122 2.190 1.396 16.200 880 HG LEU 122 HG LEU 122 1.343 -0.675 14.178 881 HD11 LEU 122 1HD1 LEU 122 0.433 -0.974 16.529 882 HD12 LEU 122 2HD1 LEU 122 -0.752 -0.796 15.235 883 HD13 LEU 122 3HD1 LEU 122 -0.391 0.568 16.293 884 HD21 LEU 122 1HD2 LEU 122 0.479 2.177 14.650 885 HD22 LEU 122 2HD2 LEU 122 -0.240 1.068 13.481 886 HD23 LEU 122 3HD2 LEU 122 1.436 1.585 13.292 887 H GLN 123 H GLN 123 5.185 0.037 16.664 888 HA GLN 123 HA GLN 123 5.766 2.219 18.122 889 HB2 GLN 123 1HB GLN 123 7.806 0.185 17.204 890 HB3 GLN 123 2HB GLN 123 7.982 1.253 18.590 891 HG2 GLN 123 1HG GLN 123 5.829 0.168 19.454 892 HG3 GLN 123 2HG GLN 123 6.132 -1.072 18.238 893 HE21 GLN 123 1HE2 GLN 123 6.650 -0.189 21.379 894 HE22 GLN 123 2HE2 GLN 123 7.991 -1.217 21.742 895 H ARG 124 H ARG 124 7.267 1.411 15.018 896 HA ARG 124 HA ARG 124 9.070 3.593 14.980 897 HB2 ARG 124 1HB ARG 124 7.951 1.809 12.827 898 HB3 ARG 124 2HB ARG 124 9.064 3.120 12.460 899 HG2 ARG 124 1HG ARG 124 10.844 2.064 13.410 900 HG3 ARG 124 2HG ARG 124 9.845 1.185 14.569 901 HD2 ARG 124 1HD ARG 124 9.210 -0.413 12.980 902 HD3 ARG 124 2HD ARG 124 9.716 0.601 11.630 903 HE ARG 124 HE ARG 124 11.326 -1.244 13.058 904 HH11 ARG 124 2HH1 ARG 124 11.422 1.862 11.488 905 HH12 ARG 124 1HH1 ARG 124 13.111 1.767 11.115 906 HH21 ARG 124 2HH2 ARG 124 13.551 -1.381 12.572 907 HH22 ARG 124 1HH2 ARG 124 14.321 -0.078 11.731 908 H CYS 125 H CYS 125 5.891 3.108 13.457 909 HA CYS 125 HA CYS 125 5.544 5.347 12.003 910 HB2 CYS 125 1HB CYS 125 3.590 4.031 13.889 911 HB3 CYS 125 2HB CYS 125 3.123 5.328 12.796 912 HG CYS 125 HG CYS 125 2.954 2.244 12.168 913 H VAL 126 H VAL 126 5.145 5.171 15.529 914 HA VAL 126 HA VAL 126 4.561 7.951 15.816 915 HB VAL 126 HB VAL 126 5.486 5.970 17.903 916 HG11 VAL 126 1HG1 VAL 126 5.767 8.417 18.437 917 HG12 VAL 126 2HG1 VAL 126 4.010 8.557 18.335 918 HG13 VAL 126 3HG1 VAL 126 4.743 7.507 19.548 919 HG21 VAL 126 1HG2 VAL 126 3.414 5.153 17.989 920 HG22 VAL 126 2HG2 VAL 126 2.701 6.766 17.984 921 HG23 VAL 126 3HG2 VAL 126 3.117 5.982 16.461 922 H SER 127 H SER 127 7.469 5.977 16.098 923 HA SER 127 HA SER 127 9.167 7.893 17.230 924 HB2 SER 127 1HB SER 127 9.513 5.330 16.709 925 HB3 SER 127 2HB SER 127 10.226 5.945 15.218 926 HG SER 127 HG SER 127 11.037 7.133 17.601 927 H LEU 128 H LEU 128 8.335 7.231 13.862 928 HA LEU 128 HA LEU 128 10.149 9.210 12.832 929 HB2 LEU 128 1HB LEU 128 8.141 7.340 11.706 930 HB3 LEU 128 2HB LEU 128 8.555 8.760 10.749 931 HG LEU 128 HG LEU 128 10.632 6.837 11.769 932 HD11 LEU 128 1HD1 LEU 128 10.551 6.068 9.297 933 HD12 LEU 128 2HD1 LEU 128 8.902 6.689 9.335 934 HD13 LEU 128 3HD1 LEU 128 9.387 5.407 10.446 935 HD21 LEU 128 1HD2 LEU 128 11.098 9.253 10.915 936 HD22 LEU 128 2HD2 LEU 128 10.819 8.543 9.324 937 HD23 LEU 128 3HD2 LEU 128 12.103 7.915 10.359 938 H GLU 129 H GLU 129 6.655 8.977 13.362 939 HA GLU 129 HA GLU 129 6.461 11.872 12.846 940 HB2 GLU 129 1HB GLU 129 4.358 9.722 12.555 941 HB3 GLU 129 2HB GLU 129 4.044 11.444 12.391 942 HG2 GLU 129 1HG GLU 129 5.621 9.641 10.601 943 HG3 GLU 129 2HG GLU 129 4.266 10.696 10.205 944 HA PRO 130 HA PRO 130 5.746 11.509 17.346 945 HB2 PRO 130 1HB PRO 130 6.655 14.007 17.896 946 HB3 PRO 130 2HB PRO 130 7.727 12.614 17.711 947 HG2 PRO 130 1HG PRO 130 7.048 14.757 15.734 948 HG3 PRO 130 2HG PRO 130 8.625 14.032 16.102 949 HD2 PRO 130 1HD PRO 130 7.156 13.310 13.944 950 HD3 PRO 130 2HD PRO 130 8.212 12.171 14.805 951 H LYS 131 H LYS 131 4.773 13.891 14.981 952 HA LYS 131 HA LYS 131 2.836 15.146 16.712 953 HB2 LYS 131 1HB LYS 131 2.196 16.414 14.705 954 HB3 LYS 131 2HB LYS 131 3.932 16.462 14.977 955 HG2 LYS 131 1HG LYS 131 4.315 14.867 13.235 956 HG3 LYS 131 2HG LYS 131 2.582 14.592 13.044 957 HD2 LYS 131 1HD LYS 131 3.166 16.037 11.285 958 HD3 LYS 131 2HD LYS 131 2.418 17.079 12.498 959 HE2 LYS 131 1HE LYS 131 4.606 17.775 13.282 960 HE3 LYS 131 2HE LYS 131 5.388 16.674 12.149 961 HZ1 LYS 131 1HZ LYS 131 5.253 19.075 11.458 962 HZ2 LYS 131 2HZ LYS 131 3.588 18.852 11.262 963 HZ3 LYS 131 3HZ LYS 131 4.677 17.954 10.329 964 H ASN 132 H ASN 132 2.794 12.858 14.012 965 HA ASN 132 HA ASN 132 0.055 12.646 13.628 966 HB2 ASN 132 1HB ASN 132 2.348 10.759 13.231 967 HB3 ASN 132 2HB ASN 132 0.701 10.177 13.007 968 HD21 ASN 132 1HD2 ASN 132 -0.414 10.743 11.215 969 HD22 ASN 132 2HD2 ASN 132 0.240 11.695 9.930 970 H LYS 133 H LYS 133 -1.363 12.418 15.242 971 HA LYS 133 HA LYS 133 -0.794 10.843 17.579 972 HB2 LYS 133 1HB LYS 133 -3.168 12.421 16.628 973 HB3 LYS 133 2HB LYS 133 -3.291 11.371 18.034 974 HG2 LYS 133 1HG LYS 133 -1.344 12.628 19.009 975 HG3 LYS 133 2HG LYS 133 -1.521 13.775 17.678 976 HD2 LYS 133 1HD LYS 133 -3.847 13.066 19.435 977 HD3 LYS 133 2HD LYS 133 -2.682 14.300 19.919 978 HE2 LYS 133 1HE LYS 133 -3.193 15.649 18.045 979 HE3 LYS 133 2HE LYS 133 -4.080 14.346 17.256 980 HZ1 LYS 133 1HZ LYS 133 -4.982 16.248 19.202 981 HZ2 LYS 133 2HZ LYS 133 -5.375 14.658 19.622 982 HZ3 LYS 133 3HZ LYS 133 -5.878 15.289 18.135 983 H VAL 134 H VAL 134 -2.913 10.541 14.757 984 HA VAL 134 HA VAL 134 -4.475 8.428 15.251 985 HB VAL 134 HB VAL 134 -2.765 8.653 12.769 986 HG11 VAL 134 1HG1 VAL 134 -4.108 6.485 13.329 987 HG12 VAL 134 2HG1 VAL 134 -5.499 7.456 12.843 988 HG13 VAL 134 3HG1 VAL 134 -4.178 7.175 11.708 989 HG21 VAL 134 1HG2 VAL 134 -5.220 10.059 13.686 990 HG22 VAL 134 2HG2 VAL 134 -3.850 10.667 12.757 991 HG23 VAL 134 3HG2 VAL 134 -5.070 9.663 11.974 992 H PHE 135 H PHE 135 -1.003 8.209 14.585 993 HA PHE 135 HA PHE 135 -0.865 5.382 14.655 994 HB2 PHE 135 1HB PHE 135 1.330 7.383 15.228 995 HB3 PHE 135 2HB PHE 135 1.552 5.688 14.809 996 HD1 PHE 135 1HD PHE 135 -0.355 5.358 12.608 997 HD2 PHE 135 2HD PHE 135 2.295 8.569 13.492 998 HE1 PHE 135 1HE PHE 135 -0.290 5.957 10.222 999 HE2 PHE 135 2HE PHE 135 2.363 9.174 11.108 1000 HZ PHE 135 HZ PHE 135 1.069 7.867 9.470 1001 H GLN 136 H GLN 136 -0.136 7.863 17.095 1002 HA GLN 136 HA GLN 136 0.738 6.273 19.159 1003 HB2 GLN 136 1HB GLN 136 -1.038 8.710 19.365 1004 HB3 GLN 136 2HB GLN 136 -0.101 8.022 20.684 1005 HG2 GLN 136 1HG GLN 136 1.923 8.690 19.765 1006 HG3 GLN 136 2HG GLN 136 1.232 8.897 18.156 1007 HE21 GLN 136 1HE2 GLN 136 2.104 10.987 18.041 1008 HE22 GLN 136 2HE2 GLN 136 1.395 12.310 18.896 1009 H GLU 137 H GLU 137 -2.408 6.435 17.794 1010 HA GLU 137 HA GLU 137 -3.653 5.151 20.101 1011 HB2 GLU 137 1HB GLU 137 -5.108 5.629 17.538 1012 HB3 GLU 137 2HB GLU 137 -5.703 5.699 19.190 1013 HG2 GLU 137 1HG GLU 137 -3.739 7.715 18.180 1014 HG3 GLU 137 2HG GLU 137 -5.464 7.884 17.862 1015 H ALA 138 H ALA 138 -3.041 4.516 16.663 1016 HA ALA 138 HA ALA 138 -4.203 2.073 16.321 1017 HB1 ALA 138 1HB ALA 138 -2.886 1.804 14.465 1018 HB2 ALA 138 2HB ALA 138 -2.705 3.537 14.739 1019 HB3 ALA 138 3HB ALA 138 -1.441 2.425 15.263 1020 H LEU 139 H LEU 139 -1.056 2.722 17.820 1021 HA LEU 139 HA LEU 139 -0.341 0.020 18.228 1022 HB2 LEU 139 1HB LEU 139 0.965 2.348 18.462 1023 HB3 LEU 139 2HB LEU 139 0.599 2.054 20.161 1024 HG LEU 139 HG LEU 139 1.837 -0.171 18.641 1025 HD11 LEU 139 1HD1 LEU 139 3.015 1.997 17.984 1026 HD12 LEU 139 2HD1 LEU 139 4.007 0.700 18.650 1027 HD13 LEU 139 3HD1 LEU 139 3.551 2.069 19.663 1028 HD21 LEU 139 1HD2 LEU 139 2.898 -0.605 20.743 1029 HD22 LEU 139 2HD2 LEU 139 1.189 -0.290 21.044 1030 HD23 LEU 139 3HD2 LEU 139 2.389 0.959 21.380 1031 H ARG 140 H ARG 140 -1.160 2.361 20.787 1032 HA ARG 140 HA ARG 140 -1.606 0.670 22.854 1033 HB2 ARG 140 1HB ARG 140 -3.331 2.335 23.663 1034 HB3 ARG 140 2HB ARG 140 -1.757 3.004 23.252 1035 HG2 ARG 140 1HG ARG 140 -2.623 3.769 21.111 1036 HG3 ARG 140 2HG ARG 140 -4.197 3.064 21.487 1037 HD2 ARG 140 1HD ARG 140 -3.919 4.572 23.656 1038 HD3 ARG 140 2HD ARG 140 -2.891 5.502 22.566 1039 HE ARG 140 HE ARG 140 -4.766 6.205 21.462 1040 HH11 ARG 140 2HH1 ARG 140 -5.570 3.434 23.409 1041 HH12 ARG 140 1HH1 ARG 140 -7.272 3.557 23.114 1042 HH21 ARG 140 2HH2 ARG 140 -7.005 6.378 21.065 1043 HH22 ARG 140 1HH2 ARG 140 -8.088 5.231 21.780 1044 H ASN 141 H ASN 141 -3.759 1.269 20.150 1045 HA ASN 141 HA ASN 141 -6.108 0.139 21.087 1046 HB2 ASN 141 1HB ASN 141 -4.886 0.427 18.372 1047 HB3 ASN 141 2HB ASN 141 -6.334 -0.559 18.551 1048 HD21 ASN 141 1HD2 ASN 141 -5.918 1.979 17.155 1049 HD22 ASN 141 2HD2 ASN 141 -7.065 3.081 17.831 1050 H ILE 142 H ILE 142 -3.516 -1.492 19.260 1051 HA ILE 142 HA ILE 142 -4.664 -4.088 19.750 1052 HB ILE 142 HB ILE 142 -2.738 -4.979 18.559 1053 HG12 ILE 142 1HG1 ILE 142 -1.727 -2.127 18.582 1054 HG13 ILE 142 2HG1 ILE 142 -1.015 -3.487 19.444 1055 HG21 ILE 142 1HG2 ILE 142 -3.484 -4.343 16.522 1056 HG22 ILE 142 2HG2 ILE 142 -4.729 -3.545 17.480 1057 HG23 ILE 142 3HG2 ILE 142 -3.347 -2.624 16.888 1058 HD11 ILE 142 1HD1 ILE 142 -0.988 -2.872 16.529 1059 HD12 ILE 142 2HD1 ILE 142 0.343 -3.308 17.601 1060 HD13 ILE 142 3HD1 ILE 142 -0.810 -4.537 17.082 1061 H SER 143 H SER 143 -1.847 -2.269 20.890 1062 HA SER 143 HA SER 143 -0.617 -4.229 22.416 1063 HB2 SER 143 1HB SER 143 0.109 -1.781 21.904 1064 HB3 SER 143 2HB SER 143 -0.764 -1.388 23.386 1065 HG SER 143 HG SER 143 0.582 -3.134 24.341 1066 H GLY 144 H GLY 144 -3.230 -2.006 23.321 1067 HA2 GLY 144 1HA GLY 144 -3.408 -2.865 26.021 1068 HA3 GLY 144 2HA GLY 144 -4.640 -1.978 25.136 1069 HA PRO 145 HA PRO 145 -6.274 -6.217 26.072 1070 HB2 PRO 145 1HB PRO 145 -8.684 -5.348 26.971 1071 HB3 PRO 145 2HB PRO 145 -7.264 -5.493 28.015 1072 HG2 PRO 145 1HG PRO 145 -8.397 -3.062 26.685 1073 HG3 PRO 145 2HG PRO 145 -7.775 -3.247 28.335 1074 HD2 PRO 145 1HD PRO 145 -6.318 -2.128 26.346 1075 HD3 PRO 145 2HD PRO 145 -5.579 -3.062 27.663 1076 H SER 146 H SER 146 -8.021 -7.330 25.039 1077 HA SER 146 HA SER 146 -9.067 -5.913 22.676 1078 HB2 SER 146 1HB SER 146 -9.035 -8.038 21.489 1079 HB3 SER 146 2HB SER 146 -7.434 -7.712 22.152 1080 HG SER 146 HG SER 146 -8.039 -9.853 22.566 1081 H SER 147 H SER 147 -9.776 -8.447 25.055 1082 HA SER 147 HA SER 147 -11.759 -9.432 25.664 1083 HB2 SER 147 1HB SER 147 -13.437 -7.768 26.444 1084 HB3 SER 147 2HB SER 147 -11.802 -7.390 26.984 1085 HG SER 147 HG SER 147 -11.689 -5.757 25.531 1086 H GLY 148 H GLY 148 -11.440 -9.597 22.909 1087 HA2 GLY 148 1HA GLY 148 -14.034 -8.852 21.762 1088 HA3 GLY 148 2HA GLY 148 -12.631 -9.414 20.865 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -44.640 27.121 -71.017 2 HA2 GLY 1 1HA GLY 1 -44.931 24.735 -70.203 3 HA3 GLY 1 2HA GLY 1 -44.483 24.291 -71.844 4 H SER 2 H SER 2 -43.198 23.686 -69.248 5 HA SER 2 HA SER 2 -40.495 24.164 -70.069 6 HB2 SER 2 1HB SER 2 -41.594 25.593 -67.647 7 HB3 SER 2 2HB SER 2 -39.872 25.275 -67.858 8 HG SER 2 HG SER 2 -39.846 26.994 -69.048 9 H SER 3 H SER 3 -38.951 23.336 -68.265 10 HA SER 3 HA SER 3 -40.091 21.344 -66.511 11 HB2 SER 3 1HB SER 3 -38.364 20.512 -68.855 12 HB3 SER 3 2HB SER 3 -38.827 19.459 -67.518 13 HG SER 3 HG SER 3 -40.284 20.288 -69.695 14 H GLY 4 H GLY 4 -38.354 20.176 -65.283 15 HA2 GLY 4 1HA GLY 4 -35.684 20.731 -65.230 16 HA3 GLY 4 2HA GLY 4 -36.407 22.097 -64.394 17 H SER 5 H SER 5 -34.832 20.973 -62.780 18 HA SER 5 HA SER 5 -36.519 19.431 -60.968 19 HB2 SER 5 1HB SER 5 -34.953 17.939 -62.464 20 HB3 SER 5 2HB SER 5 -33.702 18.483 -61.347 21 HG SER 5 HG SER 5 -34.534 17.279 -59.825 22 H SER 6 H SER 6 -35.132 19.028 -58.852 23 HA SER 6 HA SER 6 -33.257 21.134 -58.248 24 HB2 SER 6 1HB SER 6 -36.103 21.255 -57.355 25 HB3 SER 6 2HB SER 6 -34.854 21.770 -56.222 26 HG SER 6 HG SER 6 -35.709 23.452 -57.622 27 H GLY 7 H GLY 7 -32.766 21.081 -55.783 28 HA2 GLY 7 1HA GLY 7 -33.123 19.400 -53.865 29 HA3 GLY 7 2HA GLY 7 -32.547 18.238 -55.050 30 H MET 8 H MET 8 -31.628 20.050 -52.479 31 HA MET 8 HA MET 8 -28.851 19.532 -52.925 32 HB2 MET 8 1HB MET 8 -28.089 21.872 -52.749 33 HB3 MET 8 2HB MET 8 -29.014 21.583 -54.216 34 HG2 MET 8 1HG MET 8 -31.017 22.447 -52.812 35 HG3 MET 8 2HG MET 8 -29.763 23.135 -51.782 36 HE1 MET 8 1HE MET 8 -29.364 26.213 -52.737 37 HE2 MET 8 2HE MET 8 -31.059 26.118 -53.215 38 HE3 MET 8 3HE MET 8 -30.476 25.179 -51.839 39 H THR 9 H THR 9 -27.539 20.655 -51.059 40 HA THR 9 HA THR 9 -29.092 20.977 -48.623 41 HB THR 9 HB THR 9 -28.793 18.565 -48.674 42 HG1 THR 9 1HG THR 9 -26.875 19.534 -46.827 43 HG21 THR 9 1HG2 THR 9 -26.619 18.841 -50.104 44 HG22 THR 9 2HG2 THR 9 -26.786 17.468 -49.010 45 HG23 THR 9 3HG2 THR 9 -25.822 18.865 -48.532 46 H VAL 10 H VAL 10 -27.901 21.895 -46.890 47 HA VAL 10 HA VAL 10 -25.170 22.769 -47.497 48 HB VAL 10 HB VAL 10 -27.375 24.640 -46.622 49 HG11 VAL 10 1HG1 VAL 10 -24.439 25.151 -47.093 50 HG12 VAL 10 2HG1 VAL 10 -25.654 26.390 -46.771 51 HG13 VAL 10 3HG1 VAL 10 -25.271 25.186 -45.539 52 HG21 VAL 10 1HG2 VAL 10 -25.907 25.359 -49.011 53 HG22 VAL 10 2HG2 VAL 10 -26.707 23.796 -49.181 54 HG23 VAL 10 3HG2 VAL 10 -27.647 25.226 -48.755 55 H SER 11 H SER 11 -23.876 22.415 -45.825 56 HA SER 11 HA SER 11 -24.711 21.323 -43.405 57 HB2 SER 11 1HB SER 11 -22.377 21.269 -44.434 58 HB3 SER 11 2HB SER 11 -22.143 22.875 -43.745 59 HG SER 11 HG SER 11 -21.891 22.005 -41.849 60 H GLY 12 H GLY 12 -24.203 22.291 -41.206 61 HA2 GLY 12 1HA GLY 12 -24.855 25.163 -41.123 62 HA3 GLY 12 2HA GLY 12 -25.813 24.020 -40.193 63 HA PRO 13 HA PRO 13 -22.992 25.013 -36.920 64 HB2 PRO 13 1HB PRO 13 -24.003 23.264 -35.105 65 HB3 PRO 13 2HB PRO 13 -24.796 24.790 -35.514 66 HG2 PRO 13 1HG PRO 13 -25.388 22.025 -36.497 67 HG3 PRO 13 2HG PRO 13 -26.514 23.299 -35.994 68 HD2 PRO 13 1HD PRO 13 -25.984 22.767 -38.595 69 HD3 PRO 13 2HD PRO 13 -26.369 24.400 -38.013 70 H GLY 14 H GLY 14 -21.299 23.997 -35.718 71 HA2 GLY 14 1HA GLY 14 -20.522 21.354 -36.792 72 HA3 GLY 14 2HA GLY 14 -19.366 22.646 -36.504 73 H THR 15 H THR 15 -18.085 21.781 -34.969 74 HA THR 15 HA THR 15 -19.088 21.606 -32.301 75 HB THR 15 HB THR 15 -18.070 19.025 -33.502 76 HG1 THR 15 1HG THR 15 -20.088 18.868 -34.141 77 HG21 THR 15 1HG2 THR 15 -17.849 19.775 -30.940 78 HG22 THR 15 2HG2 THR 15 -18.159 18.107 -31.422 79 HG23 THR 15 3HG2 THR 15 -19.493 19.138 -30.906 80 HA PRO 16 HA PRO 16 -14.763 22.897 -32.279 81 HB2 PRO 16 1HB PRO 16 -14.906 24.087 -29.842 82 HB3 PRO 16 2HB PRO 16 -15.468 24.866 -31.326 83 HG2 PRO 16 1HG PRO 16 -17.046 23.435 -29.223 84 HG3 PRO 16 2HG PRO 16 -17.416 24.954 -30.058 85 HD2 PRO 16 1HD PRO 16 -18.554 22.597 -30.751 86 HD3 PRO 16 2HD PRO 16 -18.212 23.876 -31.933 87 H GLU 17 H GLU 17 -12.951 22.470 -30.828 88 HA GLU 17 HA GLU 17 -13.314 20.600 -28.664 89 HB2 GLU 17 1HB GLU 17 -11.724 18.929 -29.750 90 HB3 GLU 17 2HB GLU 17 -13.377 18.956 -30.350 91 HG2 GLU 17 1HG GLU 17 -11.164 20.480 -31.685 92 HG3 GLU 17 2HG GLU 17 -11.522 18.797 -32.069 93 HA PRO 18 HA PRO 18 -9.670 22.638 -27.281 94 HB2 PRO 18 1HB PRO 18 -8.818 20.829 -25.446 95 HB3 PRO 18 2HB PRO 18 -10.217 21.876 -25.184 96 HG2 PRO 18 1HG PRO 18 -10.129 19.014 -26.058 97 HG3 PRO 18 2HG PRO 18 -11.207 19.793 -24.886 98 HD2 PRO 18 1HD PRO 18 -11.969 19.248 -27.426 99 HD3 PRO 18 2HD PRO 18 -12.578 20.652 -26.527 100 H ARG 19 H ARG 19 -7.432 22.610 -27.498 101 HA ARG 19 HA ARG 19 -6.410 20.769 -29.462 102 HB2 ARG 19 1HB ARG 19 -4.384 22.132 -29.386 103 HB3 ARG 19 2HB ARG 19 -5.812 23.146 -29.538 104 HG2 ARG 19 1HG ARG 19 -5.709 23.714 -27.194 105 HG3 ARG 19 2HG ARG 19 -4.352 22.610 -26.961 106 HD2 ARG 19 1HD ARG 19 -3.213 24.034 -28.809 107 HD3 ARG 19 2HD ARG 19 -4.438 25.233 -28.397 108 HE ARG 19 HE ARG 19 -3.381 24.582 -25.995 109 HH11 ARG 19 2HH1 ARG 19 -1.992 25.585 -29.026 110 HH12 ARG 19 1HH1 ARG 19 -0.634 26.372 -28.293 111 HH21 ARG 19 2HH2 ARG 19 -1.597 25.615 -25.018 112 HH22 ARG 19 1HH2 ARG 19 -0.410 26.387 -26.013 113 HA PRO 20 HA PRO 20 -4.589 17.846 -26.722 114 HB2 PRO 20 1HB PRO 20 -2.654 16.867 -28.354 115 HB3 PRO 20 2HB PRO 20 -4.367 16.486 -28.560 116 HG2 PRO 20 1HG PRO 20 -2.686 18.497 -30.007 117 HG3 PRO 20 2HG PRO 20 -3.894 17.372 -30.658 118 HD2 PRO 20 1HD PRO 20 -4.431 19.989 -30.212 119 HD3 PRO 20 2HD PRO 20 -5.661 18.720 -30.047 120 H ALA 21 H ALA 21 -3.510 18.710 -25.035 121 HA ALA 21 HA ALA 21 -0.907 19.984 -25.543 122 HB1 ALA 21 1HB ALA 21 -1.217 21.332 -23.718 123 HB2 ALA 21 2HB ALA 21 -2.888 21.119 -24.243 124 HB3 ALA 21 3HB ALA 21 -2.258 20.169 -22.897 125 H THR 22 H THR 22 -1.356 17.096 -25.472 126 HA THR 22 HA THR 22 0.771 16.414 -23.665 127 HB THR 22 HB THR 22 -1.164 16.337 -22.129 128 HG1 THR 22 1HG THR 22 0.352 14.890 -21.535 129 HG21 THR 22 1HG2 THR 22 -2.754 15.635 -24.037 130 HG22 THR 22 2HG2 THR 22 -3.009 14.935 -22.438 131 HG23 THR 22 3HG2 THR 22 -2.203 13.996 -23.694 132 HA PRO 23 HA PRO 23 1.436 13.489 -26.895 133 HB2 PRO 23 1HB PRO 23 3.205 11.870 -25.622 134 HB3 PRO 23 2HB PRO 23 3.633 13.478 -26.221 135 HG2 PRO 23 1HG PRO 23 2.912 12.619 -23.445 136 HG3 PRO 23 2HG PRO 23 4.200 13.715 -23.978 137 HD2 PRO 23 1HD PRO 23 1.849 14.609 -22.974 138 HD3 PRO 23 2HD PRO 23 2.758 15.498 -24.214 139 H GLY 24 H GLY 24 0.294 12.561 -23.738 140 HA2 GLY 24 1HA GLY 24 -1.649 10.820 -24.500 141 HA3 GLY 24 2HA GLY 24 -0.211 9.812 -24.442 142 H ALA 25 H ALA 25 -2.188 9.091 -22.818 143 HA ALA 25 HA ALA 25 -1.366 10.072 -20.162 144 HB1 ALA 25 1HB ALA 25 -3.502 10.091 -19.437 145 HB2 ALA 25 2HB ALA 25 -3.857 10.266 -21.156 146 HB3 ALA 25 3HB ALA 25 -3.954 8.679 -20.393 147 H SER 26 H SER 26 0.298 8.259 -21.015 148 HA SER 26 HA SER 26 -0.592 5.727 -19.797 149 HB2 SER 26 1HB SER 26 0.939 6.257 -22.296 150 HB3 SER 26 2HB SER 26 1.407 4.851 -21.340 151 HG SER 26 HG SER 26 -0.366 3.877 -21.921 152 H SER 27 H SER 27 1.766 8.233 -19.924 153 HA SER 27 HA SER 27 3.964 6.979 -18.736 154 HB2 SER 27 1HB SER 27 3.689 9.384 -19.741 155 HB3 SER 27 2HB SER 27 3.280 9.826 -18.083 156 HG SER 27 HG SER 27 5.370 9.940 -17.862 157 H VAL 28 H VAL 28 4.520 6.496 -16.677 158 HA VAL 28 HA VAL 28 2.615 5.965 -14.751 159 HB VAL 28 HB VAL 28 4.670 4.883 -14.465 160 HG11 VAL 28 1HG1 VAL 28 6.467 7.049 -13.848 161 HG12 VAL 28 2HG1 VAL 28 6.628 5.763 -15.046 162 HG13 VAL 28 3HG1 VAL 28 5.771 7.250 -15.456 163 HG21 VAL 28 1HG2 VAL 28 5.280 6.736 -12.296 164 HG22 VAL 28 2HG2 VAL 28 3.573 6.304 -12.388 165 HG23 VAL 28 3HG2 VAL 28 4.795 5.042 -12.236 166 H GLU 29 H GLU 29 4.763 8.792 -14.968 167 HA GLU 29 HA GLU 29 4.062 10.108 -12.656 168 HB2 GLU 29 1HB GLU 29 5.088 11.961 -13.538 169 HB3 GLU 29 2HB GLU 29 5.723 10.722 -14.611 170 HG2 GLU 29 1HG GLU 29 3.750 11.296 -16.135 171 HG3 GLU 29 2HG GLU 29 3.584 12.746 -15.148 172 H GLN 30 H GLN 30 2.349 10.032 -15.738 173 HA GLN 30 HA GLN 30 0.301 11.846 -14.775 174 HB2 GLN 30 1HB GLN 30 0.895 12.078 -17.081 175 HB3 GLN 30 2HB GLN 30 0.667 10.359 -17.374 176 HG2 GLN 30 1HG GLN 30 -1.249 11.227 -18.271 177 HG3 GLN 30 2HG GLN 30 -1.781 10.840 -16.636 178 HE21 GLN 30 1HE2 GLN 30 -0.108 13.529 -18.247 179 HE22 GLN 30 2HE2 GLN 30 -1.089 14.773 -17.560 180 H LEU 31 H LEU 31 0.115 8.615 -16.274 181 HA LEU 31 HA LEU 31 -2.387 7.864 -15.664 182 HB2 LEU 31 1HB LEU 31 -1.753 5.699 -15.985 183 HB3 LEU 31 2HB LEU 31 -0.356 6.536 -16.658 184 HG LEU 31 HG LEU 31 0.680 6.219 -14.313 185 HD11 LEU 31 1HD1 LEU 31 -0.478 5.116 -12.783 186 HD12 LEU 31 2HD1 LEU 31 -0.639 3.734 -13.867 187 HD13 LEU 31 3HD1 LEU 31 -1.843 5.023 -13.896 188 HD21 LEU 31 1HD2 LEU 31 1.480 5.101 -16.320 189 HD22 LEU 31 2HD2 LEU 31 0.226 3.872 -16.154 190 HD23 LEU 31 3HD2 LEU 31 1.503 3.999 -14.943 191 H ARG 32 H ARG 32 0.189 8.313 -13.376 192 HA ARG 32 HA ARG 32 -0.489 6.907 -11.176 193 HB2 ARG 32 1HB ARG 32 1.226 8.890 -11.561 194 HB3 ARG 32 2HB ARG 32 -0.029 9.826 -10.760 195 HG2 ARG 32 1HG ARG 32 0.284 8.795 -8.753 196 HG3 ARG 32 2HG ARG 32 0.838 7.289 -9.489 197 HD2 ARG 32 1HD ARG 32 2.821 8.059 -8.666 198 HD3 ARG 32 2HD ARG 32 2.848 8.821 -10.256 199 HE ARG 32 HE ARG 32 2.879 10.817 -9.173 200 HH11 ARG 32 2HH1 ARG 32 1.253 8.506 -7.140 201 HH12 ARG 32 1HH1 ARG 32 0.984 9.632 -5.851 202 HH21 ARG 32 2HH2 ARG 32 2.531 12.309 -7.484 203 HH22 ARG 32 1HH2 ARG 32 1.711 11.796 -6.049 204 H LYS 33 H LYS 33 -2.074 9.900 -12.236 205 HA LYS 33 HA LYS 33 -3.837 10.261 -10.135 206 HB2 LYS 33 1HB LYS 33 -4.268 10.794 -13.079 207 HB3 LYS 33 2HB LYS 33 -5.302 11.408 -11.797 208 HG2 LYS 33 1HG LYS 33 -2.362 11.981 -11.837 209 HG3 LYS 33 2HG LYS 33 -3.510 12.960 -12.753 210 HD2 LYS 33 1HD LYS 33 -3.924 12.415 -9.833 211 HD3 LYS 33 2HD LYS 33 -2.865 13.719 -10.375 212 HE2 LYS 33 1HE LYS 33 -4.898 14.402 -11.844 213 HE3 LYS 33 2HE LYS 33 -5.822 13.409 -10.717 214 HZ1 LYS 33 1HZ LYS 33 -4.363 14.903 -9.044 215 HZ2 LYS 33 2HZ LYS 33 -5.928 15.301 -9.548 216 HZ3 LYS 33 3HZ LYS 33 -4.590 15.995 -10.317 217 H GLU 34 H GLU 34 -4.371 8.394 -13.121 218 HA GLU 34 HA GLU 34 -6.917 7.535 -12.835 219 HB2 GLU 34 1HB GLU 34 -5.574 6.836 -14.712 220 HB3 GLU 34 2HB GLU 34 -4.522 5.892 -13.666 221 HG2 GLU 34 1HG GLU 34 -6.091 4.224 -13.367 222 HG3 GLU 34 2HG GLU 34 -7.438 5.272 -13.807 223 H GLY 35 H GLY 35 -4.114 6.300 -11.069 224 HA2 GLY 35 1HA GLY 35 -5.542 4.222 -9.734 225 HA3 GLY 35 2HA GLY 35 -3.955 4.836 -9.298 226 H ASN 36 H ASN 36 -4.563 7.500 -8.790 227 HA ASN 36 HA ASN 36 -5.580 7.312 -6.146 228 HB2 ASN 36 1HB ASN 36 -5.333 9.931 -7.586 229 HB3 ASN 36 2HB ASN 36 -4.972 9.546 -5.905 230 HD21 ASN 36 1HD2 ASN 36 -3.495 7.130 -6.639 231 HD22 ASN 36 2HD2 ASN 36 -1.974 7.675 -7.252 232 H GLU 37 H GLU 37 -6.796 9.184 -8.934 233 HA GLU 37 HA GLU 37 -9.141 10.122 -8.001 234 HB2 GLU 37 1HB GLU 37 -8.815 8.785 -10.693 235 HB3 GLU 37 2HB GLU 37 -10.057 9.954 -10.265 236 HG2 GLU 37 1HG GLU 37 -8.353 11.660 -9.931 237 HG3 GLU 37 2HG GLU 37 -7.096 10.491 -10.332 238 H LEU 38 H LEU 38 -8.599 6.807 -9.133 239 HA LEU 38 HA LEU 38 -11.271 5.940 -8.735 240 HB2 LEU 38 1HB LEU 38 -8.651 4.513 -9.055 241 HB3 LEU 38 2HB LEU 38 -10.148 3.635 -8.744 242 HG LEU 38 HG LEU 38 -9.786 5.478 -11.098 243 HD11 LEU 38 1HD1 LEU 38 -9.466 3.392 -12.413 244 HD12 LEU 38 2HD1 LEU 38 -9.285 2.514 -10.895 245 HD13 LEU 38 3HD1 LEU 38 -8.126 3.769 -11.331 246 HD21 LEU 38 1HD2 LEU 38 -12.021 5.174 -11.055 247 HD22 LEU 38 2HD2 LEU 38 -11.914 3.711 -10.076 248 HD23 LEU 38 3HD2 LEU 38 -11.611 3.635 -11.813 249 H PHE 39 H PHE 39 -8.415 6.039 -6.700 250 HA PHE 39 HA PHE 39 -9.445 4.404 -4.617 251 HB2 PHE 39 1HB PHE 39 -6.994 5.104 -5.097 252 HB3 PHE 39 2HB PHE 39 -7.391 6.555 -4.183 253 HD1 PHE 39 1HD PHE 39 -7.576 2.843 -3.922 254 HD2 PHE 39 2HD PHE 39 -7.084 6.557 -1.902 255 HE1 PHE 39 1HE PHE 39 -7.122 1.639 -1.825 256 HE2 PHE 39 2HE PHE 39 -6.629 5.359 0.198 257 HZ PHE 39 HZ PHE 39 -6.647 2.896 0.238 258 H LYS 40 H LYS 40 -9.177 7.930 -5.002 259 HA LYS 40 HA LYS 40 -10.410 8.609 -2.567 260 HB2 LYS 40 1HB LYS 40 -10.780 10.834 -3.643 261 HB3 LYS 40 2HB LYS 40 -9.122 10.258 -3.743 262 HG2 LYS 40 1HG LYS 40 -9.716 9.406 -6.060 263 HG3 LYS 40 2HG LYS 40 -11.186 10.371 -5.917 264 HD2 LYS 40 1HD LYS 40 -9.682 11.780 -7.024 265 HD3 LYS 40 2HD LYS 40 -9.621 12.321 -5.345 266 HE2 LYS 40 1HE LYS 40 -7.604 10.931 -5.012 267 HE3 LYS 40 2HE LYS 40 -7.650 10.497 -6.720 268 HZ1 LYS 40 1HZ LYS 40 -7.671 13.098 -6.976 269 HZ2 LYS 40 2HZ LYS 40 -6.222 12.244 -6.796 270 HZ3 LYS 40 3HZ LYS 40 -6.910 13.033 -5.467 271 H CYS 41 H CYS 41 -11.710 7.092 -5.227 272 HA CYS 41 HA CYS 41 -14.404 8.160 -4.739 273 HB2 CYS 41 1HB CYS 41 -13.429 8.106 -7.096 274 HB3 CYS 41 2HB CYS 41 -13.583 6.355 -7.012 275 HG CYS 41 HG CYS 41 -16.474 6.975 -6.228 276 H GLY 42 H GLY 42 -12.397 5.428 -4.261 277 HA2 GLY 42 1HA GLY 42 -13.162 3.827 -2.579 278 HA3 GLY 42 2HA GLY 42 -14.747 3.897 -3.334 279 H ASP 43 H ASP 43 -13.706 3.802 -6.047 280 HA ASP 43 HA ASP 43 -13.789 1.064 -6.510 281 HB2 ASP 43 1HB ASP 43 -12.540 3.205 -8.247 282 HB3 ASP 43 2HB ASP 43 -12.991 1.589 -8.783 283 H TYR 44 H TYR 44 -12.388 -0.202 -5.390 284 HA TYR 44 HA TYR 44 -9.562 0.423 -5.306 285 HB2 TYR 44 1HB TYR 44 -10.966 -2.057 -4.299 286 HB3 TYR 44 2HB TYR 44 -9.356 -1.499 -3.860 287 HD1 TYR 44 1HD TYR 44 -9.651 1.270 -3.215 288 HD2 TYR 44 2HD TYR 44 -12.357 -1.926 -2.464 289 HE1 TYR 44 1HE TYR 44 -10.599 2.525 -1.325 290 HE2 TYR 44 2HE TYR 44 -13.313 -0.679 -0.572 291 HH TYR 44 HH TYR 44 -13.352 2.139 -0.056 292 H GLY 45 H GLY 45 -11.653 -2.069 -6.725 293 HA2 GLY 45 1HA GLY 45 -9.770 -3.753 -7.823 294 HA3 GLY 45 2HA GLY 45 -11.332 -3.422 -8.556 295 H GLY 46 H GLY 46 -10.709 -0.563 -8.916 296 HA2 GLY 46 1HA GLY 46 -9.193 -0.875 -11.394 297 HA3 GLY 46 2HA GLY 46 -10.180 0.509 -10.946 298 H ALA 47 H ALA 47 -9.249 1.481 -8.714 299 HA ALA 47 HA ALA 47 -7.097 3.004 -9.246 300 HB1 ALA 47 1HB ALA 47 -6.708 3.190 -6.808 301 HB2 ALA 47 2HB ALA 47 -8.408 3.342 -7.255 302 HB3 ALA 47 3HB ALA 47 -7.810 1.835 -6.560 303 H LEU 48 H LEU 48 -7.006 -0.324 -8.117 304 HA LEU 48 HA LEU 48 -4.217 -0.421 -7.606 305 HB2 LEU 48 1HB LEU 48 -5.884 -2.023 -6.708 306 HB3 LEU 48 2HB LEU 48 -6.070 -2.686 -8.330 307 HG LEU 48 HG LEU 48 -4.590 -3.948 -6.657 308 HD11 LEU 48 1HD1 LEU 48 -3.923 -4.997 -8.491 309 HD12 LEU 48 2HD1 LEU 48 -2.831 -3.675 -8.899 310 HD13 LEU 48 3HD1 LEU 48 -4.507 -3.634 -9.446 311 HD21 LEU 48 1HD2 LEU 48 -3.383 -1.843 -5.964 312 HD22 LEU 48 2HD2 LEU 48 -2.559 -1.902 -7.522 313 HD23 LEU 48 3HD2 LEU 48 -2.357 -3.219 -6.366 314 H ALA 49 H ALA 49 -6.194 -1.367 -10.399 315 HA ALA 49 HA ALA 49 -4.281 -2.490 -12.021 316 HB1 ALA 49 1HB ALA 49 -5.706 -1.311 -13.904 317 HB2 ALA 49 2HB ALA 49 -6.364 -2.637 -12.944 318 HB3 ALA 49 3HB ALA 49 -6.780 -0.970 -12.547 319 H ALA 50 H ALA 50 -5.012 0.950 -11.588 320 HA ALA 50 HA ALA 50 -3.237 1.931 -13.540 321 HB1 ALA 50 1HB ALA 50 -3.912 3.972 -12.873 322 HB2 ALA 50 2HB ALA 50 -5.119 3.060 -11.965 323 HB3 ALA 50 3HB ALA 50 -3.650 3.617 -11.165 324 H TYR 51 H TYR 51 -2.835 1.573 -10.018 325 HA TYR 51 HA TYR 51 -0.234 2.528 -9.819 326 HB2 TYR 51 1HB TYR 51 -1.625 0.389 -8.197 327 HB3 TYR 51 2HB TYR 51 -0.090 1.125 -7.751 328 HD1 TYR 51 1HD TYR 51 -0.495 3.945 -8.306 329 HD2 TYR 51 2HD TYR 51 -3.202 1.106 -6.659 330 HE1 TYR 51 1HE TYR 51 -1.694 5.762 -7.161 331 HE2 TYR 51 2HE TYR 51 -4.410 2.915 -5.510 332 HH TYR 51 HH TYR 51 -4.714 5.206 -5.497 333 H THR 52 H THR 52 -1.412 -0.664 -10.710 334 HA THR 52 HA THR 52 0.953 -2.117 -10.571 335 HB THR 52 HB THR 52 -1.269 -2.425 -12.601 336 HG1 THR 52 1HG THR 52 -1.606 -2.586 -10.144 337 HG21 THR 52 1HG2 THR 52 0.972 -4.254 -11.755 338 HG22 THR 52 2HG2 THR 52 0.594 -3.676 -13.378 339 HG23 THR 52 3HG2 THR 52 -0.476 -4.828 -12.579 340 H GLN 53 H GLN 53 -0.389 -0.357 -13.365 341 HA GLN 53 HA GLN 53 1.734 -0.877 -15.121 342 HB2 GLN 53 1HB GLN 53 0.255 1.708 -15.301 343 HB3 GLN 53 2HB GLN 53 0.711 0.588 -16.578 344 HG2 GLN 53 1HG GLN 53 -1.006 -0.998 -15.512 345 HG3 GLN 53 2HG GLN 53 -1.599 0.440 -14.684 346 HE21 GLN 53 1HE2 GLN 53 -3.014 1.679 -15.708 347 HE22 GLN 53 2HE2 GLN 53 -3.399 1.590 -17.390 348 H ALA 54 H ALA 54 1.116 1.940 -13.038 349 HA ALA 54 HA ALA 54 3.185 3.583 -13.666 350 HB1 ALA 54 1HB ALA 54 2.962 4.573 -11.571 351 HB2 ALA 54 2HB ALA 54 1.389 3.822 -11.841 352 HB3 ALA 54 3HB ALA 54 2.567 3.045 -10.784 353 H LEU 55 H LEU 55 3.380 0.928 -11.293 354 HA LEU 55 HA LEU 55 6.127 1.200 -10.768 355 HB2 LEU 55 1HB LEU 55 4.159 -1.031 -10.444 356 HB3 LEU 55 2HB LEU 55 5.869 -1.291 -10.106 357 HG LEU 55 HG LEU 55 4.401 0.948 -8.770 358 HD11 LEU 55 1HD1 LEU 55 3.003 -0.485 -7.800 359 HD12 LEU 55 2HD1 LEU 55 4.408 -1.131 -6.952 360 HD13 LEU 55 3HD1 LEU 55 3.860 -1.883 -8.450 361 HD21 LEU 55 1HD2 LEU 55 6.052 0.377 -6.976 362 HD22 LEU 55 2HD2 LEU 55 6.767 0.955 -8.481 363 HD23 LEU 55 3HD2 LEU 55 6.785 -0.767 -8.100 364 H GLY 56 H GLY 56 4.364 -0.698 -13.167 365 HA2 GLY 56 1HA GLY 56 6.408 -2.313 -14.121 366 HA3 GLY 56 2HA GLY 56 5.075 -1.717 -15.098 367 H LEU 57 H LEU 57 5.590 1.001 -15.102 368 HA LEU 57 HA LEU 57 7.693 1.129 -17.042 369 HB2 LEU 57 1HB LEU 57 6.233 3.448 -15.801 370 HB3 LEU 57 2HB LEU 57 7.052 3.397 -17.361 371 HG LEU 57 HG LEU 57 4.529 1.893 -16.668 372 HD11 LEU 57 1HD1 LEU 57 5.040 4.536 -17.953 373 HD12 LEU 57 2HD1 LEU 57 3.793 4.067 -16.798 374 HD13 LEU 57 3HD1 LEU 57 3.670 3.559 -18.482 375 HD21 LEU 57 1HD2 LEU 57 4.749 2.045 -19.399 376 HD22 LEU 57 2HD2 LEU 57 5.137 0.636 -18.412 377 HD23 LEU 57 3HD2 LEU 57 6.412 1.757 -18.890 378 H ASP 58 H ASP 58 9.732 1.847 -16.825 379 HA ASP 58 HA ASP 58 10.995 1.933 -14.350 380 HB2 ASP 58 1HB ASP 58 12.391 1.529 -16.192 381 HB3 ASP 58 2HB ASP 58 11.781 2.925 -17.077 382 H ALA 59 H ALA 59 9.719 3.307 -13.021 383 HA ALA 59 HA ALA 59 9.839 6.173 -13.624 384 HB1 ALA 59 1HB ALA 59 7.668 5.053 -12.982 385 HB2 ALA 59 2HB ALA 59 8.341 4.877 -11.360 386 HB3 ALA 59 3HB ALA 59 8.105 6.484 -12.048 387 H THR 60 H THR 60 10.559 7.680 -12.039 388 HA THR 60 HA THR 60 13.000 7.372 -10.973 389 HB THR 60 HB THR 60 12.227 9.007 -9.103 390 HG1 THR 60 1HG THR 60 9.943 9.050 -10.811 391 HG21 THR 60 1HG2 THR 60 12.168 9.527 -12.059 392 HG22 THR 60 2HG2 THR 60 13.424 9.928 -10.888 393 HG23 THR 60 3HG2 THR 60 11.908 10.828 -10.899 394 HA PRO 61 HA PRO 61 12.973 4.588 -7.580 395 HB2 PRO 61 1HB PRO 61 14.819 5.713 -5.937 396 HB3 PRO 61 2HB PRO 61 15.246 4.902 -7.449 397 HG2 PRO 61 1HG PRO 61 14.941 7.827 -6.889 398 HG3 PRO 61 2HG PRO 61 16.191 6.992 -7.829 399 HD2 PRO 61 1HD PRO 61 14.103 8.266 -8.991 400 HD3 PRO 61 2HD PRO 61 14.850 6.818 -9.695 401 H GLN 62 H GLN 62 12.068 7.865 -7.161 402 HA GLN 62 HA GLN 62 11.258 7.476 -4.384 403 HB2 GLN 62 1HB GLN 62 12.369 9.594 -5.109 404 HB3 GLN 62 2HB GLN 62 10.968 9.935 -6.116 405 HG2 GLN 62 1HG GLN 62 9.589 9.778 -3.994 406 HG3 GLN 62 2HG GLN 62 11.121 9.814 -3.123 407 HE21 GLN 62 1HE2 GLN 62 8.677 11.645 -4.493 408 HE22 GLN 62 2HE2 GLN 62 9.447 13.190 -4.441 409 H ASP 63 H ASP 63 9.965 7.340 -7.544 410 HA ASP 63 HA ASP 63 7.217 7.711 -6.640 411 HB2 ASP 63 1HB ASP 63 8.541 7.466 -9.317 412 HB3 ASP 63 2HB ASP 63 6.815 7.144 -9.170 413 H GLN 64 H GLN 64 9.423 5.191 -7.624 414 HA GLN 64 HA GLN 64 7.573 3.133 -8.090 415 HB2 GLN 64 1HB GLN 64 10.472 3.276 -7.443 416 HB3 GLN 64 2HB GLN 64 9.671 1.727 -7.215 417 HG2 GLN 64 1HG GLN 64 9.106 1.563 -9.488 418 HG3 GLN 64 2HG GLN 64 9.471 3.262 -9.783 419 HE21 GLN 64 1HE2 GLN 64 10.910 2.815 -11.429 420 HE22 GLN 64 2HE2 GLN 64 12.464 2.118 -11.144 421 H ALA 65 H ALA 65 8.878 4.469 -5.146 422 HA ALA 65 HA ALA 65 7.988 2.315 -3.465 423 HB1 ALA 65 1HB ALA 65 8.708 5.085 -2.548 424 HB2 ALA 65 2HB ALA 65 8.816 3.569 -1.652 425 HB3 ALA 65 3HB ALA 65 9.924 3.885 -2.988 426 H VAL 66 H VAL 66 7.055 5.761 -3.502 427 HA VAL 66 HA VAL 66 4.863 5.773 -1.957 428 HB VAL 66 HB VAL 66 5.666 7.760 -3.158 429 HG11 VAL 66 1HG1 VAL 66 4.958 8.174 -5.469 430 HG12 VAL 66 2HG1 VAL 66 6.014 6.765 -5.352 431 HG13 VAL 66 3HG1 VAL 66 4.274 6.550 -5.545 432 HG21 VAL 66 1HG2 VAL 66 2.737 7.221 -3.643 433 HG22 VAL 66 2HG2 VAL 66 3.438 7.753 -2.114 434 HG23 VAL 66 3HG2 VAL 66 3.504 8.805 -3.528 435 H LEU 67 H LEU 67 5.029 4.445 -5.209 436 HA LEU 67 HA LEU 67 2.232 3.964 -5.466 437 HB2 LEU 67 1HB LEU 67 4.622 2.845 -6.913 438 HB3 LEU 67 2HB LEU 67 2.957 2.451 -7.336 439 HG LEU 67 HG LEU 67 3.766 5.318 -7.271 440 HD11 LEU 67 1HD1 LEU 67 5.441 3.728 -8.575 441 HD12 LEU 67 2HD1 LEU 67 4.955 5.300 -9.208 442 HD13 LEU 67 3HD1 LEU 67 4.180 3.833 -9.804 443 HD21 LEU 67 1HD2 LEU 67 1.595 3.681 -8.267 444 HD22 LEU 67 2HD2 LEU 67 2.259 4.726 -9.523 445 HD23 LEU 67 3HD2 LEU 67 1.670 5.425 -8.013 446 H HIS 68 H HIS 68 5.007 1.925 -4.603 447 HA HIS 68 HA HIS 68 3.747 -0.520 -4.372 448 HB2 HIS 68 1HB HIS 68 6.121 0.726 -3.072 449 HB3 HIS 68 2HB HIS 68 5.503 -0.773 -2.383 450 HD1 HIS 68 1HD HIS 68 4.971 -2.571 -4.607 451 HD2 HIS 68 2HD HIS 68 8.121 0.133 -4.769 452 HE1 HIS 68 1HE HIS 68 6.562 -3.495 -6.321 453 HE2 HIS 68 2HE HIS 68 8.501 -1.886 -6.341 454 H ARG 69 H ARG 69 4.122 1.969 -1.855 455 HA ARG 69 HA ARG 69 2.689 0.571 0.136 456 HB2 ARG 69 1HB ARG 69 2.567 2.757 1.285 457 HB3 ARG 69 2HB ARG 69 4.190 2.382 0.720 458 HG2 ARG 69 1HG ARG 69 4.147 4.008 -0.908 459 HG3 ARG 69 2HG ARG 69 2.384 4.030 -0.986 460 HD2 ARG 69 1HD ARG 69 3.806 4.886 1.504 461 HD3 ARG 69 2HD ARG 69 3.637 5.999 0.147 462 HE ARG 69 HE ARG 69 1.626 5.293 2.010 463 HH11 ARG 69 2HH1 ARG 69 2.117 5.994 -1.365 464 HH12 ARG 69 1HH1 ARG 69 0.503 6.572 -1.614 465 HH21 ARG 69 2HH2 ARG 69 -0.502 6.052 1.695 466 HH22 ARG 69 1HH2 ARG 69 -0.986 6.605 0.128 467 H ASN 70 H ASN 70 1.689 2.427 -2.590 468 HA ASN 70 HA ASN 70 -0.942 3.036 -1.623 469 HB2 ASN 70 1HB ASN 70 0.503 3.319 -4.221 470 HB3 ASN 70 2HB ASN 70 -1.257 3.380 -4.234 471 HD21 ASN 70 1HD2 ASN 70 -1.975 4.734 -2.107 472 HD22 ASN 70 2HD2 ASN 70 -1.287 6.319 -2.083 473 H ARG 71 H ARG 71 0.412 0.660 -3.891 474 HA ARG 71 HA ARG 71 -1.968 -0.575 -4.644 475 HB2 ARG 71 1HB ARG 71 0.831 -1.675 -4.387 476 HB3 ARG 71 2HB ARG 71 -0.501 -2.591 -5.080 477 HG2 ARG 71 1HG ARG 71 -0.784 -0.801 -6.773 478 HG3 ARG 71 2HG ARG 71 0.653 -0.013 -6.118 479 HD2 ARG 71 1HD ARG 71 1.204 -1.348 -8.082 480 HD3 ARG 71 2HD ARG 71 1.982 -1.993 -6.638 481 HE ARG 71 HE ARG 71 -0.090 -3.254 -8.216 482 HH11 ARG 71 2HH1 ARG 71 1.663 -3.199 -5.209 483 HH12 ARG 71 1HH1 ARG 71 1.299 -4.847 -4.816 484 HH21 ARG 71 2HH2 ARG 71 -0.577 -5.424 -7.710 485 HH22 ARG 71 1HH2 ARG 71 0.025 -6.112 -6.240 486 H ALA 72 H ALA 72 -0.076 -0.880 -1.735 487 HA ALA 72 HA ALA 72 -1.046 -3.314 -0.760 488 HB1 ALA 72 1HB ALA 72 0.307 -2.836 0.934 489 HB2 ALA 72 2HB ALA 72 0.624 -1.276 0.173 490 HB3 ALA 72 3HB ALA 72 -0.657 -1.427 1.375 491 H ALA 73 H ALA 73 -2.329 -0.027 -0.429 492 HA ALA 73 HA ALA 73 -4.386 -0.513 1.367 493 HB1 ALA 73 1HB ALA 73 -5.437 1.358 -0.386 494 HB2 ALA 73 2HB ALA 73 -4.469 1.689 1.051 495 HB3 ALA 73 3HB ALA 73 -3.690 1.565 -0.526 496 H CYS 74 H CYS 74 -4.609 -0.500 -2.196 497 HA CYS 74 HA CYS 74 -7.200 -1.181 -2.584 498 HB2 CYS 74 1HB CYS 74 -5.026 -2.596 -4.115 499 HB3 CYS 74 2HB CYS 74 -6.600 -2.064 -4.694 500 HG CYS 74 HG CYS 74 -6.007 0.562 -4.928 501 H HIS 75 H HIS 75 -4.576 -3.520 -2.012 502 HA HIS 75 HA HIS 75 -6.135 -5.832 -2.039 503 HB2 HIS 75 1HB HIS 75 -3.493 -5.097 -0.862 504 HB3 HIS 75 2HB HIS 75 -4.234 -6.615 -0.362 505 HD1 HIS 75 1HD HIS 75 -5.124 -8.028 -2.677 506 HD2 HIS 75 2HD HIS 75 -1.847 -5.490 -2.953 507 HE1 HIS 75 1HE HIS 75 -3.864 -8.777 -4.720 508 HE2 HIS 75 2HE HIS 75 -1.840 -7.282 -4.818 509 H LEU 76 H LEU 76 -5.084 -3.899 0.766 510 HA LEU 76 HA LEU 76 -6.265 -5.295 2.800 511 HB2 LEU 76 1HB LEU 76 -6.096 -2.303 2.479 512 HB3 LEU 76 2HB LEU 76 -6.469 -3.130 3.990 513 HG LEU 76 HG LEU 76 -3.882 -3.509 2.491 514 HD11 LEU 76 1HD1 LEU 76 -4.762 -1.219 3.925 515 HD12 LEU 76 2HD1 LEU 76 -3.179 -1.539 3.217 516 HD13 LEU 76 3HD1 LEU 76 -3.518 -2.029 4.877 517 HD21 LEU 76 1HD2 LEU 76 -4.720 -5.236 4.162 518 HD22 LEU 76 2HD2 LEU 76 -4.470 -4.001 5.397 519 HD23 LEU 76 3HD2 LEU 76 -3.108 -4.576 4.435 520 H LYS 77 H LYS 77 -7.793 -2.734 0.857 521 HA LYS 77 HA LYS 77 -10.316 -2.854 2.079 522 HB2 LYS 77 1HB LYS 77 -9.752 -2.121 -0.797 523 HB3 LYS 77 2HB LYS 77 -11.133 -1.623 0.170 524 HG2 LYS 77 1HG LYS 77 -8.329 -0.901 0.945 525 HG3 LYS 77 2HG LYS 77 -9.264 0.070 -0.194 526 HD2 LYS 77 1HD LYS 77 -10.852 0.646 1.421 527 HD3 LYS 77 2HD LYS 77 -10.376 -0.674 2.491 528 HE2 LYS 77 1HE LYS 77 -8.535 1.603 1.806 529 HE3 LYS 77 2HE LYS 77 -9.655 1.668 3.166 530 HZ1 LYS 77 1HZ LYS 77 -7.756 -0.573 2.868 531 HZ2 LYS 77 2HZ LYS 77 -8.544 -0.031 4.263 532 HZ3 LYS 77 3HZ LYS 77 -7.281 0.878 3.598 533 H LEU 78 H LEU 78 -8.832 -4.826 -0.377 534 HA LEU 78 HA LEU 78 -11.362 -6.193 -0.919 535 HB2 LEU 78 1HB LEU 78 -8.663 -6.594 -2.198 536 HB3 LEU 78 2HB LEU 78 -10.191 -7.291 -2.732 537 HG LEU 78 HG LEU 78 -9.911 -4.322 -2.632 538 HD11 LEU 78 1HD1 LEU 78 -8.277 -4.250 -4.125 539 HD12 LEU 78 2HD1 LEU 78 -9.271 -5.185 -5.242 540 HD13 LEU 78 3HD1 LEU 78 -8.175 -6.011 -4.134 541 HD21 LEU 78 1HD2 LEU 78 -12.078 -5.304 -3.129 542 HD22 LEU 78 2HD2 LEU 78 -11.371 -6.242 -4.444 543 HD23 LEU 78 3HD2 LEU 78 -11.432 -4.482 -4.550 544 H GLU 79 H GLU 79 -10.408 -6.556 1.652 545 HA GLU 79 HA GLU 79 -9.545 -8.097 3.144 546 HB2 GLU 79 1HB GLU 79 -11.907 -8.827 2.203 547 HB3 GLU 79 2HB GLU 79 -10.983 -10.172 1.549 548 HG2 GLU 79 1HG GLU 79 -10.088 -10.388 3.980 549 HG3 GLU 79 2HG GLU 79 -11.525 -9.454 4.391 550 H ASP 80 H ASP 80 -7.586 -7.639 1.293 551 HA ASP 80 HA ASP 80 -6.458 -10.332 0.900 552 HB2 ASP 80 1HB ASP 80 -7.145 -9.104 -1.233 553 HB3 ASP 80 2HB ASP 80 -5.833 -7.982 -0.883 554 H TYR 81 H TYR 81 -6.158 -8.673 3.203 555 HA TYR 81 HA TYR 81 -4.039 -7.021 3.444 556 HB2 TYR 81 1HB TYR 81 -4.589 -9.333 5.315 557 HB3 TYR 81 2HB TYR 81 -3.709 -7.862 5.712 558 HD1 TYR 81 1HD TYR 81 -7.026 -9.277 4.983 559 HD2 TYR 81 2HD TYR 81 -4.870 -5.811 6.187 560 HE1 TYR 81 1HE TYR 81 -9.134 -8.212 5.673 561 HE2 TYR 81 2HE TYR 81 -6.972 -4.738 6.881 562 HH TYR 81 HH TYR 81 -9.791 -6.358 7.365 563 H ASP 82 H ASP 82 -3.918 -10.387 2.634 564 HA ASP 82 HA ASP 82 -1.379 -11.160 3.297 565 HB2 ASP 82 1HB ASP 82 -2.756 -11.724 0.661 566 HB3 ASP 82 2HB ASP 82 -1.443 -12.662 1.367 567 H LYS 83 H LYS 83 -2.156 -9.901 0.052 568 HA LYS 83 HA LYS 83 0.509 -9.393 -0.662 569 HB2 LYS 83 1HB LYS 83 -2.143 -8.463 -1.708 570 HB3 LYS 83 2HB LYS 83 -0.657 -7.772 -2.347 571 HG2 LYS 83 1HG LYS 83 -0.901 -9.461 -3.827 572 HG3 LYS 83 2HG LYS 83 -0.028 -10.347 -2.575 573 HD2 LYS 83 1HD LYS 83 -2.967 -10.252 -2.297 574 HD3 LYS 83 2HD LYS 83 -2.344 -11.190 -3.656 575 HE2 LYS 83 1HE LYS 83 -1.018 -12.546 -2.186 576 HE3 LYS 83 2HE LYS 83 -1.418 -11.524 -0.807 577 HZ1 LYS 83 1HZ LYS 83 -2.702 -13.617 -0.907 578 HZ2 LYS 83 2HZ LYS 83 -3.412 -13.091 -2.349 579 HZ3 LYS 83 3HZ LYS 83 -3.681 -12.237 -0.914 580 H ALA 84 H ALA 84 -1.974 -7.292 0.733 581 HA ALA 84 HA ALA 84 -0.918 -4.817 0.591 582 HB1 ALA 84 1HB ALA 84 -2.051 -6.023 3.113 583 HB2 ALA 84 2HB ALA 84 -1.949 -4.304 2.731 584 HB3 ALA 84 3HB ALA 84 -2.995 -5.358 1.780 585 H GLU 85 H GLU 85 -0.122 -7.034 3.277 586 HA GLU 85 HA GLU 85 1.814 -5.593 4.538 587 HB2 GLU 85 1HB GLU 85 1.004 -7.793 5.300 588 HB3 GLU 85 2HB GLU 85 1.905 -8.568 4.005 589 HG2 GLU 85 1HG GLU 85 3.387 -6.818 5.889 590 HG3 GLU 85 2HG GLU 85 2.854 -8.400 6.456 591 H THR 86 H THR 86 2.641 -8.113 2.153 592 HA THR 86 HA THR 86 5.269 -7.694 1.790 593 HB THR 86 HB THR 86 3.397 -8.004 -0.562 594 HG1 THR 86 1HG THR 86 2.875 -9.583 0.952 595 HG21 THR 86 1HG2 THR 86 5.900 -9.507 -0.506 596 HG22 THR 86 2HG2 THR 86 6.136 -7.759 -0.507 597 HG23 THR 86 3HG2 THR 86 5.200 -8.524 -1.791 598 H GLU 87 H GLU 87 2.797 -5.920 -0.080 599 HA GLU 87 HA GLU 87 4.476 -4.194 -1.432 600 HB2 GLU 87 1HB GLU 87 1.705 -3.621 -0.367 601 HB3 GLU 87 2HB GLU 87 2.532 -2.674 -1.595 602 HG2 GLU 87 1HG GLU 87 2.224 -4.237 -3.216 603 HG3 GLU 87 2HG GLU 87 2.220 -5.581 -2.076 604 H ALA 88 H ALA 88 3.218 -3.954 1.846 605 HA ALA 88 HA ALA 88 4.044 -1.310 2.374 606 HB1 ALA 88 1HB ALA 88 2.494 -2.976 3.706 607 HB2 ALA 88 2HB ALA 88 3.995 -3.315 4.569 608 HB3 ALA 88 3HB ALA 88 3.356 -1.672 4.522 609 H SER 89 H SER 89 5.687 -4.411 2.627 610 HA SER 89 HA SER 89 7.984 -3.353 3.976 611 HB2 SER 89 1HB SER 89 8.967 -5.561 3.605 612 HB3 SER 89 2HB SER 89 7.310 -5.725 4.187 613 HG SER 89 HG SER 89 7.733 -5.651 1.427 614 H LYS 90 H LYS 90 6.986 -3.734 0.677 615 HA LYS 90 HA LYS 90 9.592 -3.479 -0.479 616 HB2 LYS 90 1HB LYS 90 6.786 -3.443 -1.515 617 HB3 LYS 90 2HB LYS 90 8.083 -2.851 -2.546 618 HG2 LYS 90 1HG LYS 90 9.213 -4.982 -2.412 619 HG3 LYS 90 2HG LYS 90 7.997 -5.584 -1.282 620 HD2 LYS 90 1HD LYS 90 6.299 -5.066 -3.129 621 HD3 LYS 90 2HD LYS 90 7.695 -4.942 -4.202 622 HE2 LYS 90 1HE LYS 90 8.358 -7.243 -3.375 623 HE3 LYS 90 2HE LYS 90 6.760 -7.334 -2.634 624 HZ1 LYS 90 1HZ LYS 90 6.579 -8.365 -4.723 625 HZ2 LYS 90 2HZ LYS 90 7.419 -7.128 -5.514 626 HZ3 LYS 90 3HZ LYS 90 5.861 -6.845 -4.918 627 H ALA 91 H ALA 91 7.033 -1.275 0.443 628 HA ALA 91 HA ALA 91 8.195 0.999 -0.882 629 HB1 ALA 91 1HB ALA 91 6.032 1.537 -0.689 630 HB2 ALA 91 2HB ALA 91 5.781 0.437 0.667 631 HB3 ALA 91 3HB ALA 91 6.455 2.043 0.947 632 H ILE 92 H ILE 92 8.637 -0.602 2.117 633 HA ILE 92 HA ILE 92 9.710 1.689 3.510 634 HB ILE 92 HB ILE 92 9.603 -1.243 4.201 635 HG12 ILE 92 1HG1 ILE 92 8.312 1.112 5.581 636 HG13 ILE 92 2HG1 ILE 92 7.520 0.210 4.293 637 HG21 ILE 92 1HG2 ILE 92 11.157 0.952 5.420 638 HG22 ILE 92 2HG2 ILE 92 10.283 -0.103 6.530 639 HG23 ILE 92 3HG2 ILE 92 11.460 -0.785 5.408 640 HD11 ILE 92 1HD1 ILE 92 8.261 -0.708 7.043 641 HD12 ILE 92 2HD1 ILE 92 6.683 -0.713 6.256 642 HD13 ILE 92 3HD1 ILE 92 7.927 -1.852 5.744 643 H GLU 93 H GLU 93 11.043 -1.374 2.263 644 HA GLU 93 HA GLU 93 13.730 -0.806 2.824 645 HB2 GLU 93 1HB GLU 93 14.264 -2.587 1.241 646 HB3 GLU 93 2HB GLU 93 12.924 -3.057 2.277 647 HG2 GLU 93 1HG GLU 93 11.345 -2.655 0.524 648 HG3 GLU 93 2HG GLU 93 12.598 -1.970 -0.508 649 H LYS 94 H LYS 94 11.740 -0.107 -0.004 650 HA LYS 94 HA LYS 94 13.690 0.740 -1.781 651 HB2 LYS 94 1HB LYS 94 10.805 1.367 -1.387 652 HB3 LYS 94 2HB LYS 94 11.725 2.404 -2.469 653 HG2 LYS 94 1HG LYS 94 11.820 -0.567 -2.778 654 HG3 LYS 94 2HG LYS 94 10.472 0.366 -3.433 655 HD2 LYS 94 1HD LYS 94 11.974 1.678 -4.784 656 HD3 LYS 94 2HD LYS 94 13.377 0.910 -4.039 657 HE2 LYS 94 1HE LYS 94 12.175 -1.282 -4.916 658 HE3 LYS 94 2HE LYS 94 11.476 -0.145 -6.067 659 HZ1 LYS 94 1HZ LYS 94 14.258 -1.001 -5.755 660 HZ2 LYS 94 2HZ LYS 94 13.971 0.577 -6.291 661 HZ3 LYS 94 3HZ LYS 94 13.363 -0.736 -7.166 662 H ASP 95 H ASP 95 11.726 2.872 0.305 663 HA ASP 95 HA ASP 95 13.752 4.956 0.028 664 HB2 ASP 95 1HB ASP 95 11.075 5.110 1.426 665 HB3 ASP 95 2HB ASP 95 12.113 6.459 0.971 666 H GLY 96 H GLY 96 11.755 3.885 2.784 667 HA2 GLY 96 1HA GLY 96 12.994 2.812 4.671 668 HA3 GLY 96 2HA GLY 96 14.182 4.090 4.459 669 H GLY 97 H GLY 97 12.858 6.365 4.327 670 HA2 GLY 97 1HA GLY 97 11.639 6.545 6.975 671 HA3 GLY 97 2HA GLY 97 12.210 7.891 5.998 672 H ASP 98 H ASP 98 9.812 5.275 5.621 673 HA ASP 98 HA ASP 98 7.821 7.337 4.951 674 HB2 ASP 98 1HB ASP 98 8.551 4.857 3.444 675 HB3 ASP 98 2HB ASP 98 6.879 5.410 3.418 676 H VAL 99 H VAL 99 6.757 7.290 6.885 677 HA VAL 99 HA VAL 99 6.076 4.862 8.231 678 HB VAL 99 HB VAL 99 4.944 6.195 9.825 679 HG11 VAL 99 1HG1 VAL 99 7.229 6.529 10.135 680 HG12 VAL 99 2HG1 VAL 99 7.377 7.527 8.687 681 HG13 VAL 99 3HG1 VAL 99 6.571 8.165 10.120 682 HG21 VAL 99 1HG2 VAL 99 4.863 8.805 9.014 683 HG22 VAL 99 2HG2 VAL 99 4.463 7.942 7.529 684 HG23 VAL 99 3HG2 VAL 99 3.498 7.688 8.984 685 H LYS 100 H LYS 100 4.621 6.762 5.749 686 HA LYS 100 HA LYS 100 1.925 6.205 6.041 687 HB2 LYS 100 1HB LYS 100 3.563 6.451 3.513 688 HB3 LYS 100 2HB LYS 100 1.805 6.432 3.549 689 HG2 LYS 100 1HG LYS 100 3.471 8.455 5.024 690 HG3 LYS 100 2HG LYS 100 2.849 8.699 3.390 691 HD2 LYS 100 1HD LYS 100 0.550 8.228 4.338 692 HD3 LYS 100 2HD LYS 100 1.285 8.339 5.938 693 HE2 LYS 100 1HE LYS 100 2.029 10.614 5.436 694 HE3 LYS 100 2HE LYS 100 1.305 10.501 3.833 695 HZ1 LYS 100 1HZ LYS 100 -0.750 9.853 5.454 696 HZ2 LYS 100 2HZ LYS 100 -0.471 11.395 4.817 697 HZ3 LYS 100 3HZ LYS 100 0.060 11.017 6.378 698 H ALA 101 H ALA 101 4.502 4.180 4.778 699 HA ALA 101 HA ALA 101 2.679 2.104 3.921 700 HB1 ALA 101 1HB ALA 101 4.434 1.204 2.831 701 HB2 ALA 101 2HB ALA 101 5.144 2.799 3.083 702 HB3 ALA 101 3HB ALA 101 5.545 1.473 4.174 703 H LEU 102 H LEU 102 5.047 2.577 6.521 704 HA LEU 102 HA LEU 102 5.026 0.125 7.732 705 HB2 LEU 102 1HB LEU 102 5.261 2.906 8.771 706 HB3 LEU 102 2HB LEU 102 5.133 1.579 9.923 707 HG LEU 102 HG LEU 102 7.207 1.463 7.777 708 HD11 LEU 102 1HD1 LEU 102 7.614 3.637 8.611 709 HD12 LEU 102 2HD1 LEU 102 8.761 2.572 9.423 710 HD13 LEU 102 3HD1 LEU 102 7.322 3.132 10.276 711 HD21 LEU 102 1HD2 LEU 102 6.997 0.450 10.608 712 HD22 LEU 102 2HD2 LEU 102 8.424 0.273 9.587 713 HD23 LEU 102 3HD2 LEU 102 6.907 -0.501 9.125 714 H TYR 103 H TYR 103 2.729 2.775 8.343 715 HA TYR 103 HA TYR 103 1.151 1.520 10.246 716 HB2 TYR 103 1HB TYR 103 0.919 3.888 9.705 717 HB3 TYR 103 2HB TYR 103 0.308 3.485 8.105 718 HD1 TYR 103 2HD TYR 103 -0.589 1.883 11.334 719 HD2 TYR 103 1HD TYR 103 -1.849 4.410 8.151 720 HE1 TYR 103 2HE TYR 103 -2.882 1.849 12.222 721 HE2 TYR 103 1HE TYR 103 -4.145 4.384 9.031 722 HH TYR 103 HH TYR 103 -5.143 2.217 11.498 723 H ARG 104 H ARG 104 0.776 1.522 6.710 724 HA ARG 104 HA ARG 104 -1.548 0.023 6.523 725 HB2 ARG 104 1HB ARG 104 0.841 0.224 4.696 726 HB3 ARG 104 2HB ARG 104 -0.585 -0.716 4.275 727 HG2 ARG 104 1HG ARG 104 -0.912 2.131 5.087 728 HG3 ARG 104 2HG ARG 104 -0.327 1.750 3.466 729 HD2 ARG 104 1HD ARG 104 -2.294 0.459 2.997 730 HD3 ARG 104 2HD ARG 104 -2.846 0.612 4.665 731 HE ARG 104 HE ARG 104 -3.260 2.473 2.570 732 HH11 ARG 104 2HH1 ARG 104 -2.603 2.274 5.983 733 HH12 ARG 104 1HH1 ARG 104 -3.355 3.791 6.349 734 HH21 ARG 104 2HH2 ARG 104 -4.254 4.472 3.040 735 HH22 ARG 104 1HH2 ARG 104 -4.294 5.040 4.675 736 H ARG 105 H ARG 105 1.816 -1.092 6.700 737 HA ARG 105 HA ARG 105 1.424 -3.807 6.339 738 HB2 ARG 105 1HB ARG 105 3.607 -2.428 6.682 739 HB3 ARG 105 2HB ARG 105 3.372 -2.797 8.385 740 HG2 ARG 105 1HG ARG 105 3.395 -5.191 7.862 741 HG3 ARG 105 2HG ARG 105 3.662 -4.806 6.161 742 HD2 ARG 105 1HD ARG 105 5.817 -5.174 6.845 743 HD3 ARG 105 2HD ARG 105 5.687 -3.438 7.123 744 HE ARG 105 HE ARG 105 4.914 -4.629 9.479 745 HH11 ARG 105 2HH1 ARG 105 7.758 -4.611 7.472 746 HH12 ARG 105 1HH1 ARG 105 8.851 -4.864 8.793 747 HH21 ARG 105 2HH2 ARG 105 6.342 -4.963 11.226 748 HH22 ARG 105 1HH2 ARG 105 8.044 -5.065 10.928 749 H SER 106 H SER 106 1.509 -2.052 9.443 750 HA SER 106 HA SER 106 0.983 -4.118 11.166 751 HB2 SER 106 1HB SER 106 0.212 -2.495 12.738 752 HB3 SER 106 2HB SER 106 1.430 -1.689 11.750 753 HG SER 106 HG SER 106 -0.052 -0.407 10.963 754 H GLN 107 H GLN 107 -1.394 -2.156 9.402 755 HA GLN 107 HA GLN 107 -3.733 -3.195 10.414 756 HB2 GLN 107 1HB GLN 107 -3.268 -2.519 7.506 757 HB3 GLN 107 2HB GLN 107 -4.805 -2.508 8.361 758 HG2 GLN 107 1HG GLN 107 -3.658 -0.746 9.877 759 HG3 GLN 107 2HG GLN 107 -2.534 -0.580 8.529 760 HE21 GLN 107 1HE2 GLN 107 -3.486 1.645 8.688 761 HE22 GLN 107 2HE2 GLN 107 -4.894 1.967 7.740 762 H ALA 108 H ALA 108 -1.586 -4.576 7.993 763 HA ALA 108 HA ALA 108 -3.359 -6.788 7.438 764 HB1 ALA 108 1HB ALA 108 -0.477 -6.499 6.616 765 HB2 ALA 108 2HB ALA 108 -1.712 -7.526 5.886 766 HB3 ALA 108 3HB ALA 108 -1.823 -5.773 5.737 767 H LEU 109 H LEU 109 -0.135 -6.434 8.920 768 HA LEU 109 HA LEU 109 0.531 -8.916 9.647 769 HB2 LEU 109 1HB LEU 109 0.603 -6.430 11.335 770 HB3 LEU 109 2HB LEU 109 1.332 -7.948 11.856 771 HG LEU 109 HG LEU 109 2.108 -6.443 9.358 772 HD11 LEU 109 1HD1 LEU 109 3.009 -5.028 10.867 773 HD12 LEU 109 2HD1 LEU 109 4.257 -6.272 10.953 774 HD13 LEU 109 3HD1 LEU 109 2.980 -6.219 12.168 775 HD21 LEU 109 1HD2 LEU 109 2.721 -8.640 8.976 776 HD22 LEU 109 2HD2 LEU 109 3.053 -8.955 10.679 777 HD23 LEU 109 3HD2 LEU 109 4.170 -7.974 9.729 778 H GLU 110 H GLU 110 -1.670 -6.922 11.627 779 HA GLU 110 HA GLU 110 -2.336 -8.791 13.539 780 HB2 GLU 110 1HB GLU 110 -4.072 -6.653 12.298 781 HB3 GLU 110 2HB GLU 110 -4.501 -7.550 13.747 782 HG2 GLU 110 1HG GLU 110 -1.900 -6.100 13.640 783 HG3 GLU 110 2HG GLU 110 -3.390 -5.201 13.920 784 H LYS 111 H LYS 111 -4.120 -8.143 10.520 785 HA LYS 111 HA LYS 111 -6.032 -10.134 10.751 786 HB2 LYS 111 1HB LYS 111 -5.613 -8.243 8.941 787 HB3 LYS 111 2HB LYS 111 -4.870 -9.571 8.060 788 HG2 LYS 111 1HG LYS 111 -6.992 -9.735 7.272 789 HG3 LYS 111 2HG LYS 111 -7.129 -10.786 8.684 790 HD2 LYS 111 1HD LYS 111 -7.760 -8.501 9.865 791 HD3 LYS 111 2HD LYS 111 -8.226 -8.059 8.221 792 HE2 LYS 111 1HE LYS 111 -9.804 -9.808 8.093 793 HE3 LYS 111 2HE LYS 111 -9.153 -10.604 9.525 794 HZ1 LYS 111 1HZ LYS 111 -11.210 -8.717 9.382 795 HZ2 LYS 111 2HZ LYS 111 -9.930 -8.009 10.232 796 HZ3 LYS 111 3HZ LYS 111 -10.584 -9.479 10.757 797 H LEU 112 H LEU 112 -2.865 -10.324 9.132 798 HA LEU 112 HA LEU 112 -3.034 -12.993 8.327 799 HB2 LEU 112 1HB LEU 112 -0.705 -11.215 8.983 800 HB3 LEU 112 2HB LEU 112 -0.482 -12.879 8.447 801 HG LEU 112 HG LEU 112 -1.886 -10.733 6.857 802 HD11 LEU 112 1HD1 LEU 112 0.673 -11.825 5.920 803 HD12 LEU 112 2HD1 LEU 112 0.775 -10.803 7.352 804 HD13 LEU 112 3HD1 LEU 112 0.052 -10.175 5.871 805 HD21 LEU 112 1HD2 LEU 112 -1.690 -13.604 6.602 806 HD22 LEU 112 2HD2 LEU 112 -0.995 -12.785 5.202 807 HD23 LEU 112 3HD2 LEU 112 -2.660 -12.454 5.681 808 H GLY 113 H GLY 113 -2.459 -11.606 11.440 809 HA2 GLY 113 1HA GLY 113 -2.967 -13.192 13.293 810 HA3 GLY 113 2HA GLY 113 -1.860 -14.301 12.498 811 H ARG 114 H ARG 114 -0.206 -11.762 11.866 812 HA ARG 114 HA ARG 114 1.522 -12.030 14.144 813 HB2 ARG 114 1HB ARG 114 1.673 -10.288 11.681 814 HB3 ARG 114 2HB ARG 114 2.920 -10.339 12.920 815 HG2 ARG 114 1HG ARG 114 3.650 -12.408 12.300 816 HG3 ARG 114 2HG ARG 114 2.071 -12.902 11.686 817 HD2 ARG 114 1HD ARG 114 2.349 -11.525 9.729 818 HD3 ARG 114 2HD ARG 114 3.854 -10.862 10.365 819 HE ARG 114 HE ARG 114 4.182 -13.609 10.240 820 HH11 ARG 114 2HH1 ARG 114 3.590 -10.983 8.033 821 HH12 ARG 114 1HH1 ARG 114 4.399 -11.745 6.704 822 HH21 ARG 114 2HH2 ARG 114 5.250 -14.623 8.498 823 HH22 ARG 114 1HH2 ARG 114 5.342 -13.816 6.969 824 H LEU 115 H LEU 115 0.779 -11.121 15.980 825 HA LEU 115 HA LEU 115 -0.444 -8.480 15.914 826 HB2 LEU 115 1HB LEU 115 0.069 -10.308 18.255 827 HB3 LEU 115 2HB LEU 115 -0.917 -8.847 18.266 828 HG LEU 115 HG LEU 115 -1.523 -11.515 17.033 829 HD11 LEU 115 1HD1 LEU 115 -3.755 -10.517 18.281 830 HD12 LEU 115 2HD1 LEU 115 -2.440 -9.943 19.306 831 HD13 LEU 115 3HD1 LEU 115 -2.610 -11.667 18.973 832 HD21 LEU 115 1HD2 LEU 115 -2.198 -10.241 15.250 833 HD22 LEU 115 2HD2 LEU 115 -2.527 -8.823 16.245 834 HD23 LEU 115 3HD2 LEU 115 -3.647 -10.186 16.253 835 H ASP 116 H ASP 116 2.066 -9.987 17.954 836 HA ASP 116 HA ASP 116 3.191 -7.860 19.139 837 HB2 ASP 116 1HB ASP 116 4.550 -10.239 17.883 838 HB3 ASP 116 2HB ASP 116 5.446 -9.039 18.810 839 H GLN 117 H GLN 117 3.896 -8.869 15.807 840 HA GLN 117 HA GLN 117 5.778 -6.869 15.233 841 HB2 GLN 117 1HB GLN 117 3.874 -8.194 13.295 842 HB3 GLN 117 2HB GLN 117 5.391 -7.399 12.895 843 HG2 GLN 117 1HG GLN 117 5.448 -9.660 14.819 844 HG3 GLN 117 2HG GLN 117 5.213 -10.013 13.108 845 HE21 GLN 117 1HE2 GLN 117 7.136 -10.920 12.645 846 HE22 GLN 117 2HE2 GLN 117 8.655 -10.107 12.771 847 H ALA 118 H ALA 118 2.285 -6.985 14.550 848 HA ALA 118 HA ALA 118 1.841 -4.674 13.235 849 HB1 ALA 118 1HB ALA 118 0.184 -5.588 15.582 850 HB2 ALA 118 2HB ALA 118 -0.350 -4.565 14.248 851 HB3 ALA 118 3HB ALA 118 0.081 -6.249 13.950 852 H VAL 119 H VAL 119 2.316 -4.941 16.744 853 HA VAL 119 HA VAL 119 2.034 -2.156 17.248 854 HB VAL 119 HB VAL 119 3.214 -4.401 18.873 855 HG11 VAL 119 1HG1 VAL 119 4.451 -2.579 19.651 856 HG12 VAL 119 2HG1 VAL 119 3.094 -1.464 19.475 857 HG13 VAL 119 3HG1 VAL 119 3.086 -2.669 20.763 858 HG21 VAL 119 1HG2 VAL 119 1.181 -3.632 20.321 859 HG22 VAL 119 2HG2 VAL 119 0.616 -2.930 18.805 860 HG23 VAL 119 3HG2 VAL 119 0.924 -4.663 18.913 861 H LEU 120 H LEU 120 4.839 -4.294 16.854 862 HA LEU 120 HA LEU 120 6.850 -2.449 17.400 863 HB2 LEU 120 1HB LEU 120 6.817 -4.795 15.512 864 HB3 LEU 120 2HB LEU 120 8.273 -3.893 15.928 865 HG LEU 120 HG LEU 120 6.568 -5.419 17.896 866 HD11 LEU 120 1HD1 LEU 120 8.689 -6.260 16.085 867 HD12 LEU 120 2HD1 LEU 120 7.545 -7.223 17.020 868 HD13 LEU 120 3HD1 LEU 120 9.025 -6.634 17.776 869 HD21 LEU 120 1HD2 LEU 120 7.691 -3.645 19.010 870 HD22 LEU 120 2HD2 LEU 120 9.191 -3.959 18.137 871 HD23 LEU 120 3HD2 LEU 120 8.606 -5.118 19.332 872 H ASP 121 H ASP 121 5.545 -3.374 14.212 873 HA ASP 121 HA ASP 121 6.975 -1.622 12.635 874 HB2 ASP 121 1HB ASP 121 5.692 -3.151 11.441 875 HB3 ASP 121 2HB ASP 121 4.242 -2.826 12.387 876 H LEU 122 H LEU 122 4.130 -0.999 14.599 877 HA LEU 122 HA LEU 122 3.626 1.611 13.582 878 HB2 LEU 122 1HB LEU 122 2.803 0.225 16.123 879 HB3 LEU 122 2HB LEU 122 2.275 1.852 15.696 880 HG LEU 122 HG LEU 122 1.722 -0.580 14.003 881 HD11 LEU 122 1HD1 LEU 122 -0.506 -0.588 14.938 882 HD12 LEU 122 2HD1 LEU 122 -0.101 0.767 15.990 883 HD13 LEU 122 3HD1 LEU 122 0.682 -0.795 16.225 884 HD21 LEU 122 1HD2 LEU 122 1.069 2.307 13.859 885 HD22 LEU 122 2HD2 LEU 122 -0.190 1.166 13.383 886 HD23 LEU 122 3HD2 LEU 122 1.375 1.145 12.567 887 H GLN 123 H GLN 123 5.118 0.465 16.609 888 HA GLN 123 HA GLN 123 5.763 2.745 17.879 889 HB2 GLN 123 1HB GLN 123 7.553 0.354 17.434 890 HB3 GLN 123 2HB GLN 123 7.906 1.631 18.590 891 HG2 GLN 123 1HG GLN 123 5.481 1.050 19.445 892 HG3 GLN 123 2HG GLN 123 5.843 -0.497 18.682 893 HE21 GLN 123 1HE2 GLN 123 5.439 -0.738 21.216 894 HE22 GLN 123 2HE2 GLN 123 6.900 -0.883 22.128 895 H ARG 124 H ARG 124 7.024 1.719 14.822 896 HA ARG 124 HA ARG 124 9.191 3.637 14.822 897 HB2 ARG 124 1HB ARG 124 8.118 1.729 12.747 898 HB3 ARG 124 2HB ARG 124 9.410 2.872 12.405 899 HG2 ARG 124 1HG ARG 124 10.935 1.750 13.682 900 HG3 ARG 124 2HG ARG 124 9.704 1.074 14.751 901 HD2 ARG 124 1HD ARG 124 8.969 -0.405 12.919 902 HD3 ARG 124 2HD ARG 124 10.262 0.239 11.908 903 HE ARG 124 HE ARG 124 11.380 -0.725 14.289 904 HH11 ARG 124 2HH1 ARG 124 9.800 -1.901 11.419 905 HH12 ARG 124 1HH1 ARG 124 10.604 -3.436 11.447 906 HH21 ARG 124 2HH2 ARG 124 12.445 -2.742 14.338 907 HH22 ARG 124 1HH2 ARG 124 12.107 -3.913 13.109 908 H CYS 125 H CYS 125 6.085 3.219 13.153 909 HA CYS 125 HA CYS 125 6.206 5.497 11.542 910 HB2 CYS 125 1HB CYS 125 3.837 5.256 11.253 911 HB3 CYS 125 2HB CYS 125 4.527 3.641 11.360 912 HG CYS 125 HG CYS 125 3.511 4.839 14.308 913 H VAL 126 H VAL 126 5.572 5.144 14.926 914 HA VAL 126 HA VAL 126 4.327 7.709 15.270 915 HB VAL 126 HB VAL 126 5.551 5.850 17.313 916 HG11 VAL 126 1HG1 VAL 126 3.705 7.342 18.642 917 HG12 VAL 126 2HG1 VAL 126 5.440 7.669 18.626 918 HG13 VAL 126 3HG1 VAL 126 4.370 8.527 17.517 919 HG21 VAL 126 1HG2 VAL 126 2.902 6.015 16.011 920 HG22 VAL 126 2HG2 VAL 126 3.765 4.618 16.657 921 HG23 VAL 126 3HG2 VAL 126 2.911 5.709 17.748 922 H SER 127 H SER 127 7.580 6.427 15.435 923 HA SER 127 HA SER 127 8.758 8.655 16.746 924 HB2 SER 127 1HB SER 127 9.748 6.325 16.535 925 HB3 SER 127 2HB SER 127 10.168 6.746 14.874 926 HG SER 127 HG SER 127 11.285 8.602 15.842 927 H LEU 128 H LEU 128 8.720 7.658 13.324 928 HA LEU 128 HA LEU 128 10.035 9.941 12.339 929 HB2 LEU 128 1HB LEU 128 8.410 7.750 11.187 930 HB3 LEU 128 2HB LEU 128 8.603 9.204 10.209 931 HG LEU 128 HG LEU 128 11.012 7.847 11.349 932 HD11 LEU 128 1HD1 LEU 128 9.196 6.462 9.791 933 HD12 LEU 128 2HD1 LEU 128 10.899 6.066 10.022 934 HD13 LEU 128 3HD1 LEU 128 10.400 7.036 8.636 935 HD21 LEU 128 1HD2 LEU 128 11.707 9.767 10.336 936 HD22 LEU 128 2HD2 LEU 128 10.370 9.778 9.185 937 HD23 LEU 128 3HD2 LEU 128 11.733 8.685 8.943 938 H GLU 129 H GLU 129 6.751 9.375 13.274 939 HA GLU 129 HA GLU 129 6.063 12.096 12.380 940 HB2 GLU 129 1HB GLU 129 4.467 9.561 12.224 941 HB3 GLU 129 2HB GLU 129 3.648 11.111 12.348 942 HG2 GLU 129 1HG GLU 129 5.562 10.264 10.186 943 HG3 GLU 129 2HG GLU 129 3.814 10.437 10.040 944 HA PRO 130 HA PRO 130 5.652 12.060 16.937 945 HB2 PRO 130 1HB PRO 130 6.266 14.690 17.216 946 HB3 PRO 130 2HB PRO 130 7.494 13.425 17.084 947 HG2 PRO 130 1HG PRO 130 6.450 15.280 14.978 948 HG3 PRO 130 2HG PRO 130 8.122 14.788 15.307 949 HD2 PRO 130 1HD PRO 130 6.647 13.698 13.314 950 HD3 PRO 130 2HD PRO 130 7.881 12.780 14.201 951 H LYS 131 H LYS 131 3.952 13.409 14.387 952 HA LYS 131 HA LYS 131 1.994 14.675 16.186 953 HB2 LYS 131 1HB LYS 131 2.743 15.172 13.325 954 HB3 LYS 131 2HB LYS 131 1.140 15.613 13.900 955 HG2 LYS 131 1HG LYS 131 3.571 16.533 15.372 956 HG3 LYS 131 2HG LYS 131 3.029 17.375 13.919 957 HD2 LYS 131 1HD LYS 131 1.212 16.804 16.250 958 HD3 LYS 131 2HD LYS 131 2.173 18.280 16.125 959 HE2 LYS 131 1HE LYS 131 1.079 18.505 13.791 960 HE3 LYS 131 2HE LYS 131 -0.099 17.348 14.408 961 HZ1 LYS 131 1HZ LYS 131 -1.032 19.383 14.919 962 HZ2 LYS 131 2HZ LYS 131 0.447 20.094 15.327 963 HZ3 LYS 131 3HZ LYS 131 -0.267 18.972 16.372 964 H ASN 132 H ASN 132 2.173 12.743 13.194 965 HA ASN 132 HA ASN 132 -0.364 12.028 12.736 966 HB2 ASN 132 1HB ASN 132 1.981 10.116 12.826 967 HB3 ASN 132 2HB ASN 132 0.446 9.788 12.027 968 HD21 ASN 132 1HD2 ASN 132 1.121 9.676 9.963 969 HD22 ASN 132 2HD2 ASN 132 1.848 10.986 9.102 970 H LYS 133 H LYS 133 -1.757 11.965 14.457 971 HA LYS 133 HA LYS 133 -1.271 10.393 16.794 972 HB2 LYS 133 1HB LYS 133 -3.756 11.748 15.740 973 HB3 LYS 133 2HB LYS 133 -3.693 10.902 17.280 974 HG2 LYS 133 1HG LYS 133 -1.694 13.038 16.732 975 HG3 LYS 133 2HG LYS 133 -3.348 13.492 17.148 976 HD2 LYS 133 1HD LYS 133 -3.220 12.436 19.249 977 HD3 LYS 133 2HD LYS 133 -1.763 11.545 18.802 978 HE2 LYS 133 1HE LYS 133 -0.890 13.215 20.126 979 HE3 LYS 133 2HE LYS 133 -0.738 13.928 18.521 980 HZ1 LYS 133 1HZ LYS 133 -3.072 14.881 19.078 981 HZ2 LYS 133 2HZ LYS 133 -1.688 15.629 19.700 982 HZ3 LYS 133 3HZ LYS 133 -2.609 14.605 20.682 983 H VAL 134 H VAL 134 -3.150 9.961 13.837 984 HA VAL 134 HA VAL 134 -4.728 7.839 14.282 985 HB VAL 134 HB VAL 134 -4.286 7.032 12.012 986 HG11 VAL 134 1HG1 VAL 134 -5.755 8.831 12.004 987 HG12 VAL 134 2HG1 VAL 134 -4.506 9.981 12.485 988 HG13 VAL 134 3HG1 VAL 134 -4.519 9.325 10.847 989 HG21 VAL 134 1HG2 VAL 134 -2.543 8.108 10.642 990 HG22 VAL 134 2HG2 VAL 134 -1.956 8.948 12.077 991 HG23 VAL 134 3HG2 VAL 134 -1.867 7.189 11.986 992 H PHE 135 H PHE 135 -1.230 7.777 14.246 993 HA PHE 135 HA PHE 135 -1.021 4.917 14.286 994 HB2 PHE 135 1HB PHE 135 1.049 6.999 15.017 995 HB3 PHE 135 2HB PHE 135 1.359 5.297 14.687 996 HD1 PHE 135 1HD PHE 135 -0.662 5.173 12.339 997 HD2 PHE 135 2HD PHE 135 2.530 7.813 13.321 998 HE1 PHE 135 1HE PHE 135 -0.361 5.691 9.953 999 HE2 PHE 135 2HE PHE 135 2.835 8.336 10.937 1000 HZ PHE 135 HZ PHE 135 1.389 7.275 9.249 1001 H GLN 136 H GLN 136 -0.534 7.476 16.714 1002 HA GLN 136 HA GLN 136 0.095 5.909 18.894 1003 HB2 GLN 136 1HB GLN 136 -1.492 8.473 18.766 1004 HB3 GLN 136 2HB GLN 136 -0.933 7.752 20.269 1005 HG2 GLN 136 1HG GLN 136 1.277 8.223 19.833 1006 HG3 GLN 136 2HG GLN 136 1.021 8.324 18.092 1007 HE21 GLN 136 1HE2 GLN 136 1.377 10.299 17.404 1008 HE22 GLN 136 2HE2 GLN 136 0.902 11.759 18.196 1009 H GLU 137 H GLU 137 -2.988 6.391 17.356 1010 HA GLU 137 HA GLU 137 -4.494 5.219 19.526 1011 HB2 GLU 137 1HB GLU 137 -5.673 5.487 16.809 1012 HB3 GLU 137 2HB GLU 137 -6.382 5.832 18.380 1013 HG2 GLU 137 1HG GLU 137 -4.597 7.771 18.374 1014 HG3 GLU 137 2HG GLU 137 -4.715 7.552 16.629 1015 H ALA 138 H ALA 138 -3.555 4.277 16.232 1016 HA ALA 138 HA ALA 138 -4.784 1.793 16.120 1017 HB1 ALA 138 1HB ALA 138 -2.140 1.839 14.880 1018 HB2 ALA 138 2HB ALA 138 -3.731 1.594 14.157 1019 HB3 ALA 138 3HB ALA 138 -3.145 3.229 14.466 1020 H LEU 139 H LEU 139 -1.738 2.732 17.611 1021 HA LEU 139 HA LEU 139 -0.605 0.248 18.072 1022 HB2 LEU 139 1HB LEU 139 0.164 2.710 18.628 1023 HB3 LEU 139 2HB LEU 139 -0.480 2.307 20.218 1024 HG LEU 139 HG LEU 139 1.872 1.920 20.253 1025 HD11 LEU 139 1HD1 LEU 139 0.273 0.215 21.271 1026 HD12 LEU 139 2HD1 LEU 139 1.944 -0.290 21.021 1027 HD13 LEU 139 3HD1 LEU 139 0.687 -0.814 19.900 1028 HD21 LEU 139 1HD2 LEU 139 1.695 -0.081 18.039 1029 HD22 LEU 139 2HD2 LEU 139 3.100 0.789 18.655 1030 HD23 LEU 139 3HD2 LEU 139 1.903 1.631 17.671 1031 H ARG 140 H ARG 140 -2.633 2.092 20.361 1032 HA ARG 140 HA ARG 140 -2.911 -0.052 22.186 1033 HB2 ARG 140 1HB ARG 140 -4.180 1.381 23.445 1034 HB3 ARG 140 2HB ARG 140 -3.343 2.546 22.428 1035 HG2 ARG 140 1HG ARG 140 -5.303 2.577 20.920 1036 HG3 ARG 140 2HG ARG 140 -6.140 1.505 22.044 1037 HD2 ARG 140 1HD ARG 140 -5.646 3.281 23.817 1038 HD3 ARG 140 2HD ARG 140 -5.250 4.342 22.466 1039 HE ARG 140 HE ARG 140 -7.734 3.286 21.903 1040 HH11 ARG 140 2HH1 ARG 140 -6.305 5.217 24.423 1041 HH12 ARG 140 1HH1 ARG 140 -7.775 6.057 24.792 1042 HH21 ARG 140 2HH2 ARG 140 -9.675 4.385 22.380 1043 HH22 ARG 140 1HH2 ARG 140 -9.692 5.582 23.630 1044 H ASN 141 H ASN 141 -4.806 1.032 19.434 1045 HA ASN 141 HA ASN 141 -7.163 -0.358 19.826 1046 HB2 ASN 141 1HB ASN 141 -6.988 1.186 18.001 1047 HB3 ASN 141 2HB ASN 141 -5.675 0.266 17.272 1048 HD21 ASN 141 1HD2 ASN 141 -6.835 0.119 15.336 1049 HD22 ASN 141 2HD2 ASN 141 -8.164 -0.970 15.158 1050 H ILE 142 H ILE 142 -4.025 -1.549 18.931 1051 HA ILE 142 HA ILE 142 -5.149 -4.233 18.493 1052 HB ILE 142 HB ILE 142 -3.116 -4.823 17.351 1053 HG12 ILE 142 1HG1 ILE 142 -2.108 -2.013 17.803 1054 HG13 ILE 142 2HG1 ILE 142 -1.661 -3.362 18.842 1055 HG21 ILE 142 1HG2 ILE 142 -3.660 -3.809 15.414 1056 HG22 ILE 142 2HG2 ILE 142 -4.985 -3.146 16.368 1057 HG23 ILE 142 3HG2 ILE 142 -3.527 -2.191 16.100 1058 HD11 ILE 142 1HD1 ILE 142 -0.136 -2.637 16.853 1059 HD12 ILE 142 2HD1 ILE 142 -0.364 -4.344 17.234 1060 HD13 ILE 142 3HD1 ILE 142 -1.261 -3.609 15.905 1061 H SER 143 H SER 143 -2.935 -2.352 20.428 1062 HA SER 143 HA SER 143 -1.716 -4.581 21.739 1063 HB2 SER 143 1HB SER 143 -0.805 -2.175 21.505 1064 HB3 SER 143 2HB SER 143 -1.846 -1.796 22.877 1065 HG SER 143 HG SER 143 -0.739 -3.393 24.068 1066 H GLY 144 H GLY 144 -4.677 -2.892 22.102 1067 HA2 GLY 144 1HA GLY 144 -6.202 -4.379 23.550 1068 HA3 GLY 144 2HA GLY 144 -5.052 -3.971 24.815 1069 HA PRO 145 HA PRO 145 -8.407 -0.596 23.981 1070 HB2 PRO 145 1HB PRO 145 -10.509 -1.509 25.436 1071 HB3 PRO 145 2HB PRO 145 -10.311 -1.853 23.714 1072 HG2 PRO 145 1HG PRO 145 -9.665 -3.574 26.076 1073 HG3 PRO 145 2HG PRO 145 -10.445 -4.020 24.547 1074 HD2 PRO 145 1HD PRO 145 -7.829 -4.512 25.045 1075 HD3 PRO 145 2HD PRO 145 -8.441 -4.153 23.417 1076 H SER 146 H SER 146 -9.241 0.877 25.630 1077 HA SER 146 HA SER 146 -7.477 1.051 27.866 1078 HB2 SER 146 1HB SER 146 -8.301 3.056 26.695 1079 HB3 SER 146 2HB SER 146 -9.943 2.687 27.220 1080 HG SER 146 HG SER 146 -8.125 4.075 28.513 1081 H SER 147 H SER 147 -11.030 0.780 27.662 1082 HA SER 147 HA SER 147 -11.224 0.100 30.456 1083 HB2 SER 147 1HB SER 147 -13.574 0.158 30.158 1084 HB3 SER 147 2HB SER 147 -12.947 1.425 29.104 1085 HG SER 147 HG SER 147 -13.024 -0.232 27.406 1086 H GLY 148 H GLY 148 -10.565 -1.856 31.085 1087 HA2 GLY 148 1HA GLY 148 -11.629 -4.184 29.629 1088 HA3 GLY 148 2HA GLY 148 -9.921 -4.115 30.037 Start of MODEL 19 1 H1 GLY 1 H GLY 1 52.233 23.778 16.906 2 HA2 GLY 1 1HA GLY 1 51.225 25.504 14.971 3 HA3 GLY 1 2HA GLY 1 51.168 23.888 14.282 4 H SER 2 H SER 2 49.016 25.777 15.096 5 HA SER 2 HA SER 2 47.276 23.850 16.270 6 HB2 SER 2 1HB SER 2 48.454 25.980 17.992 7 HB3 SER 2 2HB SER 2 46.745 25.603 18.209 8 HG SER 2 HG SER 2 48.999 24.026 18.691 9 H SER 3 H SER 3 45.427 24.171 15.247 10 HA SER 3 HA SER 3 44.284 26.822 15.038 11 HB2 SER 3 1HB SER 3 44.827 25.226 12.523 12 HB3 SER 3 2HB SER 3 44.030 26.796 12.620 13 HG SER 3 HG SER 3 46.721 26.227 13.328 14 H GLY 4 H GLY 4 42.065 26.750 14.102 15 HA2 GLY 4 1HA GLY 4 40.776 24.173 13.920 16 HA3 GLY 4 2HA GLY 4 40.378 25.061 15.384 17 H SER 5 H SER 5 38.744 24.251 13.019 18 HA SER 5 HA SER 5 37.147 26.568 12.844 19 HB2 SER 5 1HB SER 5 37.455 27.169 10.503 20 HB3 SER 5 2HB SER 5 38.990 27.318 11.358 21 HG SER 5 HG SER 5 39.531 25.232 10.521 22 H SER 6 H SER 6 35.198 26.219 11.678 23 HA SER 6 HA SER 6 34.777 23.678 10.360 24 HB2 SER 6 1HB SER 6 34.513 23.298 12.881 25 HB3 SER 6 2HB SER 6 33.064 24.296 12.765 26 HG SER 6 HG SER 6 33.225 21.743 12.307 27 H GLY 7 H GLY 7 32.285 23.485 9.866 28 HA2 GLY 7 1HA GLY 7 30.300 25.069 9.656 29 HA3 GLY 7 2HA GLY 7 31.458 26.141 8.883 30 H MET 8 H MET 8 28.991 24.195 8.204 31 HA MET 8 HA MET 8 29.545 24.055 5.446 32 HB2 MET 8 1HB MET 8 31.031 22.201 6.376 33 HB3 MET 8 2HB MET 8 29.544 21.344 6.762 34 HG2 MET 8 1HG MET 8 28.917 21.496 4.356 35 HG3 MET 8 2HG MET 8 30.516 22.166 4.039 36 HE1 MET 8 1HE MET 8 32.816 20.467 5.244 37 HE2 MET 8 2HE MET 8 32.843 19.327 3.899 38 HE3 MET 8 3HE MET 8 32.453 21.023 3.609 39 H THR 9 H THR 9 27.648 24.057 4.425 40 HA THR 9 HA THR 9 25.414 22.486 5.317 41 HB THR 9 HB THR 9 25.179 25.498 5.460 42 HG1 THR 9 1HG THR 9 24.683 24.917 7.726 43 HG21 THR 9 1HG2 THR 9 22.905 24.866 6.439 44 HG22 THR 9 2HG2 THR 9 23.177 23.271 5.736 45 HG23 THR 9 3HG2 THR 9 23.103 24.692 4.696 46 H VAL 10 H VAL 10 24.194 21.940 3.617 47 HA VAL 10 HA VAL 10 23.992 23.719 1.318 48 HB VAL 10 HB VAL 10 24.568 21.930 -0.279 49 HG11 VAL 10 1HG1 VAL 10 26.828 22.435 1.648 50 HG12 VAL 10 2HG1 VAL 10 26.943 22.122 -0.085 51 HG13 VAL 10 3HG1 VAL 10 26.230 23.627 0.495 52 HG21 VAL 10 1HG2 VAL 10 24.189 19.928 0.871 53 HG22 VAL 10 2HG2 VAL 10 25.943 20.004 0.704 54 HG23 VAL 10 3HG2 VAL 10 25.185 20.420 2.241 55 H SER 11 H SER 11 22.049 23.607 0.344 56 HA SER 11 HA SER 11 20.421 21.290 0.262 57 HB2 SER 11 1HB SER 11 19.979 23.234 2.481 58 HB3 SER 11 2HB SER 11 18.559 22.558 1.683 59 HG SER 11 HG SER 11 19.361 21.338 3.522 60 H GLY 12 H GLY 12 18.252 21.758 -0.667 61 HA2 GLY 12 1HA GLY 12 17.217 24.090 -1.555 62 HA3 GLY 12 2HA GLY 12 18.517 23.799 -2.700 63 HA PRO 13 HA PRO 13 15.183 20.284 -3.172 64 HB2 PRO 13 1HB PRO 13 12.709 20.968 -2.289 65 HB3 PRO 13 2HB PRO 13 13.893 20.133 -1.277 66 HG2 PRO 13 1HG PRO 13 13.191 23.042 -1.365 67 HG3 PRO 13 2HG PRO 13 13.478 22.003 0.042 68 HD2 PRO 13 1HD PRO 13 15.353 23.703 -0.919 69 HD3 PRO 13 2HD PRO 13 15.769 22.156 -0.152 70 H GLY 14 H GLY 14 12.942 20.282 -4.414 71 HA2 GLY 14 1HA GLY 14 11.768 22.364 -5.669 72 HA3 GLY 14 2HA GLY 14 13.271 22.192 -6.564 73 H THR 15 H THR 15 10.409 21.770 -7.322 74 HA THR 15 HA THR 15 10.828 19.354 -8.825 75 HB THR 15 HB THR 15 8.629 19.435 -6.753 76 HG1 THR 15 1HG THR 15 9.702 17.507 -6.050 77 HG21 THR 15 1HG2 THR 15 8.800 16.938 -8.121 78 HG22 THR 15 2HG2 THR 15 8.622 18.223 -9.315 79 HG23 THR 15 3HG2 THR 15 7.435 18.049 -8.023 80 HA PRO 16 HA PRO 16 8.418 21.916 -11.534 81 HB2 PRO 16 1HB PRO 16 8.305 20.160 -13.601 82 HB3 PRO 16 2HB PRO 16 9.750 21.104 -13.221 83 HG2 PRO 16 1HG PRO 16 9.111 18.261 -12.536 84 HG3 PRO 16 2HG PRO 16 10.633 18.955 -13.124 85 HD2 PRO 16 1HD PRO 16 10.210 18.373 -10.514 86 HD3 PRO 16 2HD PRO 16 11.234 19.726 -11.037 87 H GLU 17 H GLU 17 6.483 21.379 -13.119 88 HA GLU 17 HA GLU 17 4.592 19.626 -11.695 89 HB2 GLU 17 1HB GLU 17 2.814 21.234 -12.100 90 HB3 GLU 17 2HB GLU 17 4.123 21.995 -11.206 91 HG2 GLU 17 1HG GLU 17 4.949 22.802 -13.497 92 HG3 GLU 17 2HG GLU 17 3.338 22.371 -14.069 93 HA PRO 18 HA PRO 18 3.879 17.730 -15.601 94 HB2 PRO 18 1HB PRO 18 1.416 16.687 -15.137 95 HB3 PRO 18 2HB PRO 18 2.890 16.023 -14.423 96 HG2 PRO 18 1HG PRO 18 0.860 17.859 -13.212 97 HG3 PRO 18 2HG PRO 18 1.663 16.450 -12.495 98 HD2 PRO 18 1HD PRO 18 2.442 18.991 -11.976 99 HD3 PRO 18 2HD PRO 18 3.583 17.631 -12.013 100 H ARG 19 H ARG 19 2.078 17.565 -17.297 101 HA ARG 19 HA ARG 19 0.747 20.183 -17.533 102 HB2 ARG 19 1HB ARG 19 1.988 18.429 -19.652 103 HB3 ARG 19 2HB ARG 19 0.924 19.777 -20.028 104 HG2 ARG 19 1HG ARG 19 2.458 21.341 -19.066 105 HG3 ARG 19 2HG ARG 19 3.478 20.035 -18.459 106 HD2 ARG 19 1HD ARG 19 2.902 20.503 -21.379 107 HD3 ARG 19 2HD ARG 19 4.315 21.145 -20.542 108 HE ARG 19 HE ARG 19 3.985 18.508 -21.518 109 HH11 ARG 19 2HH1 ARG 19 5.328 20.300 -18.853 110 HH12 ARG 19 1HH1 ARG 19 6.543 19.117 -18.500 111 HH21 ARG 19 2HH2 ARG 19 5.580 16.943 -21.064 112 HH22 ARG 19 1HH2 ARG 19 6.686 17.208 -19.759 113 HA PRO 20 HA PRO 20 -2.610 17.031 -17.395 114 HB2 PRO 20 1HB PRO 20 -4.329 18.613 -16.012 115 HB3 PRO 20 2HB PRO 20 -3.095 17.619 -15.228 116 HG2 PRO 20 1HG PRO 20 -3.046 20.542 -15.872 117 HG3 PRO 20 2HG PRO 20 -2.518 19.713 -14.396 118 HD2 PRO 20 1HD PRO 20 -0.783 20.533 -16.306 119 HD3 PRO 20 2HD PRO 20 -0.502 19.084 -15.319 120 H ALA 21 H ALA 21 -5.088 17.579 -17.814 121 HA ALA 21 HA ALA 21 -6.696 18.382 -19.222 122 HB1 ALA 21 1HB ALA 21 -5.040 20.604 -20.259 123 HB2 ALA 21 2HB ALA 21 -6.722 20.592 -19.726 124 HB3 ALA 21 3HB ALA 21 -5.420 20.623 -18.536 125 H THR 22 H THR 22 -4.729 16.459 -20.048 126 HA THR 22 HA THR 22 -4.672 16.998 -22.946 127 HB THR 22 HB THR 22 -2.397 16.943 -22.041 128 HG1 THR 22 1HG THR 22 -3.143 14.682 -23.608 129 HG21 THR 22 1HG2 THR 22 -2.988 15.415 -20.117 130 HG22 THR 22 2HG2 THR 22 -1.474 15.047 -20.944 131 HG23 THR 22 3HG2 THR 22 -2.912 14.078 -21.264 132 HA PRO 23 HA PRO 23 -7.226 13.435 -23.400 133 HB2 PRO 23 1HB PRO 23 -6.703 12.882 -26.006 134 HB3 PRO 23 2HB PRO 23 -7.712 14.241 -25.497 135 HG2 PRO 23 1HG PRO 23 -4.832 14.221 -26.314 136 HG3 PRO 23 2HG PRO 23 -6.110 15.371 -26.748 137 HD2 PRO 23 1HD PRO 23 -4.272 15.891 -24.828 138 HD3 PRO 23 2HD PRO 23 -5.933 16.513 -24.753 139 H GLY 24 H GLY 24 -6.649 11.591 -22.419 140 HA2 GLY 24 1HA GLY 24 -5.698 9.511 -22.152 141 HA3 GLY 24 2HA GLY 24 -4.987 9.696 -23.748 142 H ALA 25 H ALA 25 -4.351 9.486 -20.476 143 HA ALA 25 HA ALA 25 -1.564 10.265 -20.933 144 HB1 ALA 25 1HB ALA 25 -1.805 11.122 -18.406 145 HB2 ALA 25 2HB ALA 25 -2.019 12.172 -19.807 146 HB3 ALA 25 3HB ALA 25 -3.427 11.488 -18.995 147 H SER 26 H SER 26 -0.527 8.394 -20.673 148 HA SER 26 HA SER 26 -1.265 6.696 -18.380 149 HB2 SER 26 1HB SER 26 -0.427 6.051 -21.165 150 HB3 SER 26 2HB SER 26 0.116 4.971 -19.881 151 HG SER 26 HG SER 26 -2.576 5.735 -19.950 152 H SER 27 H SER 27 0.429 8.895 -18.039 153 HA SER 27 HA SER 27 3.147 7.836 -17.988 154 HB2 SER 27 1HB SER 27 1.987 10.564 -17.415 155 HB3 SER 27 2HB SER 27 3.676 10.167 -17.100 156 HG SER 27 HG SER 27 2.414 10.685 -19.468 157 H VAL 28 H VAL 28 3.845 6.745 -16.286 158 HA VAL 28 HA VAL 28 2.570 6.124 -13.993 159 HB VAL 28 HB VAL 28 4.606 5.019 -14.374 160 HG11 VAL 28 1HG1 VAL 28 5.522 7.587 -15.157 161 HG12 VAL 28 2HG1 VAL 28 6.621 6.968 -13.923 162 HG13 VAL 28 3HG1 VAL 28 6.308 6.024 -15.380 163 HG21 VAL 28 1HG2 VAL 28 5.266 6.842 -12.071 164 HG22 VAL 28 2HG2 VAL 28 4.063 5.556 -11.972 165 HG23 VAL 28 3HG2 VAL 28 5.751 5.162 -12.298 166 H GLU 29 H GLU 29 4.186 9.142 -14.684 167 HA GLU 29 HA GLU 29 4.164 10.106 -11.991 168 HB2 GLU 29 1HB GLU 29 5.728 10.895 -13.796 169 HB3 GLU 29 2HB GLU 29 4.366 11.728 -14.530 170 HG2 GLU 29 1HG GLU 29 4.093 13.060 -12.491 171 HG3 GLU 29 2HG GLU 29 5.485 12.242 -11.784 172 H GLN 30 H GLN 30 2.158 10.697 -14.861 173 HA GLN 30 HA GLN 30 0.312 12.325 -13.322 174 HB2 GLN 30 1HB GLN 30 0.669 13.122 -15.518 175 HB3 GLN 30 2HB GLN 30 0.471 11.521 -16.219 176 HG2 GLN 30 1HG GLN 30 -1.458 12.859 -16.714 177 HG3 GLN 30 2HG GLN 30 -1.909 11.571 -15.598 178 HE21 GLN 30 1HE2 GLN 30 -0.744 14.923 -15.531 179 HE22 GLN 30 2HE2 GLN 30 -1.777 15.436 -14.245 180 H LEU 31 H LEU 31 -0.060 9.452 -15.410 181 HA LEU 31 HA LEU 31 -2.576 8.680 -14.896 182 HB2 LEU 31 1HB LEU 31 -2.013 6.581 -15.587 183 HB3 LEU 31 2HB LEU 31 -0.603 7.484 -16.137 184 HG LEU 31 HG LEU 31 0.477 6.747 -13.922 185 HD11 LEU 31 1HD1 LEU 31 -0.754 5.544 -12.528 186 HD12 LEU 31 2HD1 LEU 31 -0.857 4.274 -13.747 187 HD13 LEU 31 3HD1 LEU 31 -2.094 5.529 -13.675 188 HD21 LEU 31 1HD2 LEU 31 -0.123 4.610 -15.959 189 HD22 LEU 31 2HD2 LEU 31 1.301 4.742 -14.926 190 HD23 LEU 31 3HD2 LEU 31 1.031 5.919 -16.212 191 H ARG 32 H ARG 32 0.094 8.495 -12.639 192 HA ARG 32 HA ARG 32 -0.685 6.799 -10.701 193 HB2 ARG 32 1HB ARG 32 1.277 8.422 -10.674 194 HB3 ARG 32 2HB ARG 32 0.160 9.612 -10.020 195 HG2 ARG 32 1HG ARG 32 0.341 6.979 -8.663 196 HG3 ARG 32 2HG ARG 32 1.675 8.117 -8.465 197 HD2 ARG 32 1HD ARG 32 -0.280 9.808 -7.976 198 HD3 ARG 32 2HD ARG 32 -1.161 8.333 -7.580 199 HE ARG 32 HE ARG 32 0.140 8.086 -5.698 200 HH11 ARG 32 2HH1 ARG 32 1.477 10.566 -7.743 201 HH12 ARG 32 1HH1 ARG 32 2.607 11.121 -6.552 202 HH21 ARG 32 2HH2 ARG 32 1.623 8.807 -4.123 203 HH22 ARG 32 1HH2 ARG 32 2.690 10.119 -4.494 204 H LYS 33 H LYS 33 -1.762 10.202 -10.746 205 HA LYS 33 HA LYS 33 -3.532 10.211 -8.688 206 HB2 LYS 33 1HB LYS 33 -3.719 11.543 -11.383 207 HB3 LYS 33 2HB LYS 33 -4.903 11.839 -10.117 208 HG2 LYS 33 1HG LYS 33 -1.952 12.255 -9.729 209 HG3 LYS 33 2HG LYS 33 -3.043 13.519 -10.301 210 HD2 LYS 33 1HD LYS 33 -4.262 13.516 -8.276 211 HD3 LYS 33 2HD LYS 33 -3.524 12.002 -7.747 212 HE2 LYS 33 1HE LYS 33 -2.500 13.759 -6.512 213 HE3 LYS 33 2HE LYS 33 -1.323 13.200 -7.700 214 HZ1 LYS 33 1HZ LYS 33 -2.499 15.782 -7.395 215 HZ2 LYS 33 2HZ LYS 33 -2.692 15.197 -8.971 216 HZ3 LYS 33 3HZ LYS 33 -1.145 15.318 -8.297 217 H GLU 34 H GLU 34 -4.182 9.049 -11.976 218 HA GLU 34 HA GLU 34 -6.841 8.539 -11.937 219 HB2 GLU 34 1HB GLU 34 -5.227 7.989 -13.786 220 HB3 GLU 34 2HB GLU 34 -4.813 6.522 -12.909 221 HG2 GLU 34 1HG GLU 34 -6.368 5.756 -14.412 222 HG3 GLU 34 2HG GLU 34 -7.362 6.060 -12.989 223 H GLY 35 H GLY 35 -4.335 6.589 -10.371 224 HA2 GLY 35 1HA GLY 35 -6.070 4.523 -9.490 225 HA3 GLY 35 2HA GLY 35 -4.471 4.871 -8.850 226 H ASN 36 H ASN 36 -4.669 7.296 -7.741 227 HA ASN 36 HA ASN 36 -5.877 6.841 -5.285 228 HB2 ASN 36 1HB ASN 36 -5.549 9.646 -6.281 229 HB3 ASN 36 2HB ASN 36 -5.194 8.978 -4.690 230 HD21 ASN 36 1HD2 ASN 36 -3.132 8.810 -4.240 231 HD22 ASN 36 2HD2 ASN 36 -1.850 8.589 -5.379 232 H GLU 37 H GLU 37 -7.013 9.044 -7.853 233 HA GLU 37 HA GLU 37 -9.335 9.959 -6.815 234 HB2 GLU 37 1HB GLU 37 -8.627 9.123 -9.605 235 HB3 GLU 37 2HB GLU 37 -10.256 9.679 -9.246 236 HG2 GLU 37 1HG GLU 37 -7.865 11.307 -8.481 237 HG3 GLU 37 2HG GLU 37 -8.539 11.375 -10.108 238 H LEU 38 H LEU 38 -8.840 6.765 -8.251 239 HA LEU 38 HA LEU 38 -11.556 5.944 -7.994 240 HB2 LEU 38 1HB LEU 38 -8.989 4.436 -8.418 241 HB3 LEU 38 2HB LEU 38 -10.558 3.639 -8.323 242 HG LEU 38 HG LEU 38 -10.069 5.807 -10.333 243 HD11 LEU 38 1HD1 LEU 38 -9.551 3.913 -11.932 244 HD12 LEU 38 2HD1 LEU 38 -9.240 2.923 -10.506 245 HD13 LEU 38 3HD1 LEU 38 -8.269 4.364 -10.808 246 HD21 LEU 38 1HD2 LEU 38 -12.026 5.153 -11.220 247 HD22 LEU 38 2HD2 LEU 38 -12.309 4.450 -9.627 248 HD23 LEU 38 3HD2 LEU 38 -11.701 3.442 -10.941 249 H PHE 39 H PHE 39 -8.698 5.697 -5.968 250 HA PHE 39 HA PHE 39 -9.748 3.854 -4.097 251 HB2 PHE 39 1HB PHE 39 -7.306 4.554 -4.428 252 HB3 PHE 39 2HB PHE 39 -7.699 5.970 -3.458 253 HD1 PHE 39 1HD PHE 39 -8.214 2.274 -3.294 254 HD2 PHE 39 2HD PHE 39 -7.156 5.849 -1.241 255 HE1 PHE 39 1HE PHE 39 -7.814 0.974 -1.244 256 HE2 PHE 39 2HE PHE 39 -6.753 4.555 0.812 257 HZ PHE 39 HZ PHE 39 -7.081 2.114 0.812 258 H LYS 40 H LYS 40 -9.484 7.402 -4.016 259 HA LYS 40 HA LYS 40 -10.785 7.749 -1.545 260 HB2 LYS 40 1HB LYS 40 -11.115 10.103 -2.312 261 HB3 LYS 40 2HB LYS 40 -9.457 9.534 -2.450 262 HG2 LYS 40 1HG LYS 40 -10.057 8.989 -4.884 263 HG3 LYS 40 2HG LYS 40 -11.459 10.029 -4.620 264 HD2 LYS 40 1HD LYS 40 -9.796 11.428 -5.535 265 HD3 LYS 40 2HD LYS 40 -9.814 11.787 -3.807 266 HE2 LYS 40 1HE LYS 40 -7.970 9.886 -3.773 267 HE3 LYS 40 2HE LYS 40 -7.760 10.396 -5.447 268 HZ1 LYS 40 1HZ LYS 40 -7.899 12.549 -3.517 269 HZ2 LYS 40 2HZ LYS 40 -6.851 12.334 -4.828 270 HZ3 LYS 40 3HZ LYS 40 -6.545 11.546 -3.362 271 H CYS 41 H CYS 41 -12.008 6.616 -4.422 272 HA CYS 41 HA CYS 41 -14.712 7.629 -3.877 273 HB2 CYS 41 1HB CYS 41 -13.526 7.758 -6.213 274 HB3 CYS 41 2HB CYS 41 -14.003 6.068 -6.335 275 HG CYS 41 HG CYS 41 -15.969 8.836 -6.287 276 H GLY 42 H GLY 42 -12.735 4.802 -3.836 277 HA2 GLY 42 1HA GLY 42 -13.558 3.008 -2.357 278 HA3 GLY 42 2HA GLY 42 -15.117 3.192 -3.148 279 H ASP 43 H ASP 43 -13.963 3.469 -5.811 280 HA ASP 43 HA ASP 43 -14.053 0.826 -6.658 281 HB2 ASP 43 1HB ASP 43 -12.783 3.229 -7.984 282 HB3 ASP 43 2HB ASP 43 -13.046 1.683 -8.786 283 H TYR 44 H TYR 44 -12.716 -0.592 -5.633 284 HA TYR 44 HA TYR 44 -9.893 -0.039 -5.344 285 HB2 TYR 44 1HB TYR 44 -11.370 -2.616 -4.779 286 HB3 TYR 44 2HB TYR 44 -9.775 -2.159 -4.191 287 HD1 TYR 44 1HD TYR 44 -9.999 0.433 -3.097 288 HD2 TYR 44 2HD TYR 44 -12.909 -2.671 -3.070 289 HE1 TYR 44 1HE TYR 44 -11.019 1.415 -1.086 290 HE2 TYR 44 2HE TYR 44 -13.938 -1.697 -1.059 291 HH TYR 44 HH TYR 44 -13.894 -0.040 0.412 292 H GLY 45 H GLY 45 -11.889 -2.394 -7.119 293 HA2 GLY 45 1HA GLY 45 -9.948 -3.857 -8.391 294 HA3 GLY 45 2HA GLY 45 -11.498 -3.462 -9.120 295 H GLY 46 H GLY 46 -10.970 -0.581 -9.125 296 HA2 GLY 46 1HA GLY 46 -9.404 -0.527 -11.578 297 HA3 GLY 46 2HA GLY 46 -10.385 0.783 -10.937 298 H ALA 47 H ALA 47 -9.451 1.380 -8.562 299 HA ALA 47 HA ALA 47 -7.318 2.983 -8.835 300 HB1 ALA 47 1HB ALA 47 -8.799 2.496 -6.761 301 HB2 ALA 47 2HB ALA 47 -7.494 1.399 -6.306 302 HB3 ALA 47 3HB ALA 47 -7.164 3.117 -6.533 303 H LEU 48 H LEU 48 -7.147 -0.481 -8.142 304 HA LEU 48 HA LEU 48 -4.337 -0.591 -7.815 305 HB2 LEU 48 1HB LEU 48 -5.981 -2.313 -7.050 306 HB3 LEU 48 2HB LEU 48 -6.161 -2.806 -8.733 307 HG LEU 48 HG LEU 48 -4.586 -4.125 -7.118 308 HD11 LEU 48 1HD1 LEU 48 -3.171 -3.581 -9.634 309 HD12 LEU 48 2HD1 LEU 48 -4.875 -3.999 -9.805 310 HD13 LEU 48 3HD1 LEU 48 -3.776 -5.099 -8.972 311 HD21 LEU 48 1HD2 LEU 48 -2.341 -3.367 -7.014 312 HD22 LEU 48 2HD2 LEU 48 -3.354 -2.027 -6.476 313 HD23 LEU 48 3HD2 LEU 48 -2.673 -2.020 -8.104 314 H ALA 49 H ALA 49 -6.443 -1.331 -10.584 315 HA ALA 49 HA ALA 49 -4.637 -2.200 -12.432 316 HB1 ALA 49 1HB ALA 49 -6.742 -2.224 -13.290 317 HB2 ALA 49 2HB ALA 49 -7.155 -0.646 -12.619 318 HB3 ALA 49 3HB ALA 49 -6.151 -0.754 -14.065 319 H ALA 50 H ALA 50 -5.450 1.212 -11.798 320 HA ALA 50 HA ALA 50 -3.704 2.374 -13.625 321 HB1 ALA 50 1HB ALA 50 -4.728 3.383 -10.980 322 HB2 ALA 50 2HB ALA 50 -3.793 4.371 -12.103 323 HB3 ALA 50 3HB ALA 50 -5.361 3.726 -12.590 324 H TYR 51 H TYR 51 -3.153 1.833 -10.140 325 HA TYR 51 HA TYR 51 -0.558 2.724 -9.960 326 HB2 TYR 51 1HB TYR 51 -1.949 0.468 -8.518 327 HB3 TYR 51 2HB TYR 51 -0.323 0.998 -8.100 328 HD1 TYR 51 1HD TYR 51 -0.540 3.914 -8.337 329 HD2 TYR 51 2HD TYR 51 -3.289 1.096 -6.725 330 HE1 TYR 51 1HE TYR 51 -1.480 5.667 -6.891 331 HE2 TYR 51 2HE TYR 51 -4.238 2.842 -5.275 332 HH TYR 51 HH TYR 51 -2.737 5.758 -4.688 333 H THR 52 H THR 52 -1.741 -0.319 -11.232 334 HA THR 52 HA THR 52 0.669 -1.742 -11.324 335 HB THR 52 HB THR 52 -1.575 -1.941 -13.339 336 HG1 THR 52 1HG THR 52 -1.317 -2.899 -10.692 337 HG21 THR 52 1HG2 THR 52 -0.814 -4.382 -13.274 338 HG22 THR 52 2HG2 THR 52 0.642 -3.782 -12.480 339 HG23 THR 52 3HG2 THR 52 0.235 -3.234 -14.106 340 H GLN 53 H GLN 53 -0.925 0.031 -13.984 341 HA GLN 53 HA GLN 53 1.021 -0.188 -15.899 342 HB2 GLN 53 1HB GLN 53 -0.320 2.459 -15.577 343 HB3 GLN 53 2HB GLN 53 -0.042 1.517 -17.035 344 HG2 GLN 53 1HG GLN 53 -1.731 -0.141 -15.983 345 HG3 GLN 53 2HG GLN 53 -2.194 1.238 -14.987 346 HE21 GLN 53 1HE2 GLN 53 -2.937 3.154 -16.066 347 HE22 GLN 53 2HE2 GLN 53 -3.710 3.031 -17.606 348 H ALA 54 H ALA 54 0.763 2.389 -13.455 349 HA ALA 54 HA ALA 54 2.953 3.908 -14.125 350 HB1 ALA 54 1HB ALA 54 1.292 3.561 -11.804 351 HB2 ALA 54 2HB ALA 54 2.968 3.837 -11.329 352 HB3 ALA 54 3HB ALA 54 2.144 4.999 -12.368 353 H LEU 55 H LEU 55 2.911 1.103 -11.928 354 HA LEU 55 HA LEU 55 5.676 1.099 -11.400 355 HB2 LEU 55 1HB LEU 55 3.480 -0.903 -11.147 356 HB3 LEU 55 2HB LEU 55 5.149 -1.426 -10.938 357 HG LEU 55 HG LEU 55 3.858 0.768 -9.323 358 HD11 LEU 55 1HD1 LEU 55 3.016 -1.741 -9.158 359 HD12 LEU 55 2HD1 LEU 55 3.214 -0.722 -7.732 360 HD13 LEU 55 3HD1 LEU 55 4.462 -1.892 -8.159 361 HD21 LEU 55 1HD2 LEU 55 6.549 -0.119 -9.646 362 HD22 LEU 55 2HD2 LEU 55 6.013 -0.502 -8.010 363 HD23 LEU 55 3HD2 LEU 55 5.919 1.157 -8.603 364 H GLY 56 H GLY 56 3.734 -0.696 -13.773 365 HA2 GLY 56 1HA GLY 56 5.630 -2.348 -14.870 366 HA3 GLY 56 2HA GLY 56 4.337 -1.605 -15.800 367 H LEU 57 H LEU 57 5.079 1.065 -15.675 368 HA LEU 57 HA LEU 57 7.090 1.146 -17.689 369 HB2 LEU 57 1HB LEU 57 5.994 3.477 -16.133 370 HB3 LEU 57 2HB LEU 57 6.731 3.504 -17.734 371 HG LEU 57 HG LEU 57 4.080 2.230 -17.060 372 HD11 LEU 57 1HD1 LEU 57 4.846 4.959 -17.777 373 HD12 LEU 57 2HD1 LEU 57 3.358 4.347 -17.055 374 HD13 LEU 57 3HD1 LEU 57 3.587 4.269 -18.802 375 HD21 LEU 57 1HD2 LEU 57 5.818 1.793 -19.215 376 HD22 LEU 57 2HD2 LEU 57 4.531 2.829 -19.831 377 HD23 LEU 57 3HD2 LEU 57 4.135 1.288 -19.069 378 H ASP 58 H ASP 58 9.149 2.074 -17.616 379 HA ASP 58 HA ASP 58 10.573 1.646 -15.177 380 HB2 ASP 58 1HB ASP 58 11.460 1.290 -17.538 381 HB3 ASP 58 2HB ASP 58 11.633 3.041 -17.633 382 H ALA 59 H ALA 59 9.592 3.111 -13.717 383 HA ALA 59 HA ALA 59 9.972 5.964 -14.244 384 HB1 ALA 59 1HB ALA 59 8.523 6.364 -12.374 385 HB2 ALA 59 2HB ALA 59 7.781 5.142 -13.408 386 HB3 ALA 59 3HB ALA 59 8.578 4.663 -11.910 387 H THR 60 H THR 60 10.568 7.233 -12.144 388 HA THR 60 HA THR 60 13.241 6.644 -11.532 389 HB THR 60 HB THR 60 12.705 8.318 -9.543 390 HG1 THR 60 1HG THR 60 10.679 9.136 -11.309 391 HG21 THR 60 1HG2 THR 60 13.167 8.696 -12.427 392 HG22 THR 60 2HG2 THR 60 14.062 9.323 -11.042 393 HG23 THR 60 3HG2 THR 60 12.577 10.117 -11.567 394 HA PRO 61 HA PRO 61 13.132 3.879 -8.126 395 HB2 PRO 61 1HB PRO 61 15.142 4.820 -6.561 396 HB3 PRO 61 2HB PRO 61 15.427 3.986 -8.094 397 HG2 PRO 61 1HG PRO 61 15.412 6.922 -7.508 398 HG3 PRO 61 2HG PRO 61 16.540 5.986 -8.506 399 HD2 PRO 61 1HD PRO 61 14.527 7.453 -9.568 400 HD3 PRO 61 2HD PRO 61 15.108 5.950 -10.312 401 H GLN 62 H GLN 62 12.594 7.236 -7.628 402 HA GLN 62 HA GLN 62 11.894 6.921 -4.823 403 HB2 GLN 62 1HB GLN 62 13.029 8.985 -6.005 404 HB3 GLN 62 2HB GLN 62 11.365 9.427 -6.364 405 HG2 GLN 62 1HG GLN 62 11.978 10.549 -4.375 406 HG3 GLN 62 2HG GLN 62 10.878 9.248 -3.921 407 HE21 GLN 62 1HE2 GLN 62 11.784 9.539 -1.788 408 HE22 GLN 62 2HE2 GLN 62 13.274 8.764 -1.385 409 H ASP 63 H ASP 63 10.393 6.770 -7.878 410 HA ASP 63 HA ASP 63 7.735 7.343 -6.816 411 HB2 ASP 63 1HB ASP 63 8.683 8.046 -9.160 412 HB3 ASP 63 2HB ASP 63 8.232 6.406 -9.618 413 H GLN 64 H GLN 64 9.711 4.666 -7.886 414 HA GLN 64 HA GLN 64 7.730 2.712 -8.175 415 HB2 GLN 64 1HB GLN 64 10.660 2.677 -7.622 416 HB3 GLN 64 2HB GLN 64 9.755 1.187 -7.386 417 HG2 GLN 64 1HG GLN 64 9.268 0.965 -9.617 418 HG3 GLN 64 2HG GLN 64 9.433 2.691 -9.935 419 HE21 GLN 64 1HE2 GLN 64 11.432 3.541 -10.379 420 HE22 GLN 64 2HE2 GLN 64 12.827 2.567 -10.677 421 H ALA 65 H ALA 65 8.995 4.228 -5.367 422 HA ALA 65 HA ALA 65 8.202 2.128 -3.544 423 HB1 ALA 65 1HB ALA 65 9.025 4.951 -2.886 424 HB2 ALA 65 2HB ALA 65 8.995 3.562 -1.799 425 HB3 ALA 65 3HB ALA 65 10.155 3.618 -3.125 426 H VAL 66 H VAL 66 7.251 5.558 -3.845 427 HA VAL 66 HA VAL 66 5.084 5.636 -2.221 428 HB VAL 66 HB VAL 66 5.895 7.586 -3.473 429 HG11 VAL 66 1HG1 VAL 66 5.063 7.921 -5.807 430 HG12 VAL 66 2HG1 VAL 66 6.279 6.654 -5.640 431 HG13 VAL 66 3HG1 VAL 66 4.576 6.226 -5.817 432 HG21 VAL 66 1HG2 VAL 66 3.528 7.361 -2.485 433 HG22 VAL 66 2HG2 VAL 66 3.846 8.693 -3.596 434 HG23 VAL 66 3HG2 VAL 66 2.996 7.256 -4.163 435 H LEU 67 H LEU 67 5.218 4.237 -5.447 436 HA LEU 67 HA LEU 67 2.403 3.737 -5.612 437 HB2 LEU 67 1HB LEU 67 4.719 2.622 -7.186 438 HB3 LEU 67 2HB LEU 67 3.021 2.345 -7.568 439 HG LEU 67 HG LEU 67 4.108 5.132 -7.442 440 HD11 LEU 67 1HD1 LEU 67 5.645 4.149 -8.930 441 HD12 LEU 67 2HD1 LEU 67 4.417 4.904 -9.945 442 HD13 LEU 67 3HD1 LEU 67 4.398 3.159 -9.690 443 HD21 LEU 67 1HD2 LEU 67 2.326 5.229 -9.349 444 HD22 LEU 67 2HD2 LEU 67 1.820 5.224 -7.660 445 HD23 LEU 67 3HD2 LEU 67 1.742 3.739 -8.609 446 H HIS 68 H HIS 68 5.201 1.981 -4.474 447 HA HIS 68 HA HIS 68 4.007 -0.586 -4.363 448 HB2 HIS 68 1HB HIS 68 6.446 0.687 -3.229 449 HB3 HIS 68 2HB HIS 68 5.885 -0.803 -2.477 450 HD1 HIS 68 1HD HIS 68 5.038 -2.411 -4.918 451 HD2 HIS 68 2HD HIS 68 8.523 -0.154 -4.756 452 HE1 HIS 68 1HE HIS 68 6.568 -3.412 -6.644 453 HE2 HIS 68 2HE HIS 68 8.701 -2.084 -6.469 454 H ARG 69 H ARG 69 4.607 1.834 -1.814 455 HA ARG 69 HA ARG 69 3.287 0.453 0.239 456 HB2 ARG 69 1HB ARG 69 3.236 2.613 1.411 457 HB3 ARG 69 2HB ARG 69 4.809 2.304 0.688 458 HG2 ARG 69 1HG ARG 69 4.318 3.815 -1.128 459 HG3 ARG 69 2HG ARG 69 2.681 4.061 -0.516 460 HD2 ARG 69 1HD ARG 69 3.581 5.054 1.520 461 HD3 ARG 69 2HD ARG 69 5.223 4.776 0.941 462 HE ARG 69 HE ARG 69 3.668 6.338 -0.879 463 HH11 ARG 69 2HH1 ARG 69 5.573 6.461 2.032 464 HH12 ARG 69 1HH1 ARG 69 5.992 8.132 1.843 465 HH21 ARG 69 2HH2 ARG 69 4.213 8.538 -1.139 466 HH22 ARG 69 1HH2 ARG 69 5.217 9.312 0.039 467 H ASN 70 H ASN 70 2.093 2.421 -2.359 468 HA ASN 70 HA ASN 70 -0.502 2.862 -1.205 469 HB2 ASN 70 1HB ASN 70 0.830 3.470 -3.795 470 HB3 ASN 70 2HB ASN 70 -0.929 3.388 -3.795 471 HD21 ASN 70 1HD2 ASN 70 1.765 4.821 -1.999 472 HD22 ASN 70 2HD2 ASN 70 0.968 6.316 -1.659 473 H ARG 71 H ARG 71 0.655 0.924 -3.970 474 HA ARG 71 HA ARG 71 -1.578 -0.357 -4.761 475 HB2 ARG 71 1HB ARG 71 1.252 -1.251 -4.507 476 HB3 ARG 71 2HB ARG 71 0.042 -2.467 -4.889 477 HG2 ARG 71 1HG ARG 71 -0.674 -0.742 -6.723 478 HG3 ARG 71 2HG ARG 71 0.972 -0.145 -6.500 479 HD2 ARG 71 1HD ARG 71 0.110 -2.914 -7.310 480 HD3 ARG 71 2HD ARG 71 1.008 -1.742 -8.274 481 HE ARG 71 HE ARG 71 2.435 -2.336 -5.916 482 HH11 ARG 71 2HH1 ARG 71 1.535 -3.740 -8.972 483 HH12 ARG 71 1HH1 ARG 71 2.924 -4.773 -9.054 484 HH21 ARG 71 2HH2 ARG 71 4.267 -3.692 -6.013 485 HH22 ARG 71 1HH2 ARG 71 4.477 -4.745 -7.370 486 H ALA 72 H ALA 72 0.370 -1.264 -1.936 487 HA ALA 72 HA ALA 72 -0.783 -3.561 -1.092 488 HB1 ALA 72 1HB ALA 72 0.793 -2.969 0.406 489 HB2 ALA 72 2HB ALA 72 0.404 -1.252 0.299 490 HB3 ALA 72 3HB ALA 72 -0.588 -2.320 1.292 491 H ALA 73 H ALA 73 -2.068 -0.306 -0.425 492 HA ALA 73 HA ALA 73 -4.246 -0.856 1.099 493 HB1 ALA 73 1HB ALA 73 -3.781 1.156 -1.053 494 HB2 ALA 73 2HB ALA 73 -5.377 1.030 -0.312 495 HB3 ALA 73 3HB ALA 73 -3.967 1.389 0.685 496 H CYS 74 H CYS 74 -4.439 -0.658 -2.462 497 HA CYS 74 HA CYS 74 -6.946 -1.489 -2.940 498 HB2 CYS 74 1HB CYS 74 -4.669 -2.732 -4.471 499 HB3 CYS 74 2HB CYS 74 -6.258 -2.265 -5.067 500 HG CYS 74 HG CYS 74 -5.804 0.375 -5.252 501 H HIS 75 H HIS 75 -4.234 -3.777 -2.564 502 HA HIS 75 HA HIS 75 -5.709 -6.125 -2.648 503 HB2 HIS 75 1HB HIS 75 -3.081 -5.360 -1.453 504 HB3 HIS 75 2HB HIS 75 -3.763 -6.931 -1.043 505 HD1 HIS 75 1HD HIS 75 -4.934 -7.668 -3.815 506 HD2 HIS 75 2HD HIS 75 -1.125 -6.128 -3.195 507 HE1 HIS 75 1HE HIS 75 -3.585 -8.387 -5.812 508 HE2 HIS 75 2HE HIS 75 -1.262 -7.516 -5.373 509 H LEU 76 H LEU 76 -4.566 -4.451 0.291 510 HA LEU 76 HA LEU 76 -5.737 -5.954 2.226 511 HB2 LEU 76 1HB LEU 76 -5.438 -2.969 2.047 512 HB3 LEU 76 2HB LEU 76 -6.035 -3.771 3.498 513 HG LEU 76 HG LEU 76 -3.385 -4.531 2.326 514 HD11 LEU 76 1HD1 LEU 76 -2.367 -2.656 2.948 515 HD12 LEU 76 2HD1 LEU 76 -3.197 -2.638 4.504 516 HD13 LEU 76 3HD1 LEU 76 -3.969 -1.930 3.086 517 HD21 LEU 76 1HD2 LEU 76 -4.226 -5.981 4.035 518 HD22 LEU 76 2HD2 LEU 76 -4.609 -4.612 5.079 519 HD23 LEU 76 3HD2 LEU 76 -2.926 -5.010 4.729 520 H LYS 77 H LYS 77 -7.315 -3.388 0.353 521 HA LYS 77 HA LYS 77 -9.816 -3.542 1.651 522 HB2 LYS 77 1HB LYS 77 -9.133 -2.618 -1.146 523 HB3 LYS 77 2HB LYS 77 -10.680 -2.354 -0.350 524 HG2 LYS 77 1HG LYS 77 -8.119 -1.385 0.865 525 HG3 LYS 77 2HG LYS 77 -8.978 -0.445 -0.357 526 HD2 LYS 77 1HD LYS 77 -11.010 -0.558 1.080 527 HD3 LYS 77 2HD LYS 77 -10.033 -1.343 2.324 528 HE2 LYS 77 1HE LYS 77 -8.631 0.596 2.523 529 HE3 LYS 77 2HE LYS 77 -9.418 1.363 1.145 530 HZ1 LYS 77 1HZ LYS 77 -11.121 0.585 3.382 531 HZ2 LYS 77 2HZ LYS 77 -11.214 1.938 2.371 532 HZ3 LYS 77 3HZ LYS 77 -10.086 1.901 3.631 533 H LEU 78 H LEU 78 -8.435 -5.266 -1.083 534 HA LEU 78 HA LEU 78 -10.937 -6.665 -1.590 535 HB2 LEU 78 1HB LEU 78 -8.233 -6.899 -2.902 536 HB3 LEU 78 2HB LEU 78 -9.690 -7.744 -3.420 537 HG LEU 78 HG LEU 78 -9.629 -4.751 -3.324 538 HD11 LEU 78 1HD1 LEU 78 -7.811 -4.948 -4.693 539 HD12 LEU 78 2HD1 LEU 78 -9.107 -5.104 -5.879 540 HD13 LEU 78 3HD1 LEU 78 -8.284 -6.543 -5.280 541 HD21 LEU 78 1HD2 LEU 78 -11.356 -4.928 -4.958 542 HD22 LEU 78 2HD2 LEU 78 -11.751 -6.037 -3.645 543 HD23 LEU 78 3HD2 LEU 78 -11.076 -6.658 -5.153 544 H GLU 79 H GLU 79 -9.723 -7.075 0.965 545 HA GLU 79 HA GLU 79 -9.085 -8.721 2.408 546 HB2 GLU 79 1HB GLU 79 -10.785 -10.072 0.370 547 HB3 GLU 79 2HB GLU 79 -9.909 -11.090 1.505 548 HG2 GLU 79 1HG GLU 79 -12.142 -10.654 2.310 549 HG3 GLU 79 2HG GLU 79 -10.951 -9.906 3.372 550 H ASP 80 H ASP 80 -6.995 -7.941 0.856 551 HA ASP 80 HA ASP 80 -5.580 -10.478 0.369 552 HB2 ASP 80 1HB ASP 80 -5.694 -8.000 -1.296 553 HB3 ASP 80 2HB ASP 80 -4.195 -8.924 -1.263 554 H TYR 81 H TYR 81 -5.021 -10.177 2.669 555 HA TYR 81 HA TYR 81 -3.175 -8.017 3.274 556 HB2 TYR 81 1HB TYR 81 -3.951 -10.324 5.060 557 HB3 TYR 81 2HB TYR 81 -3.260 -8.779 5.541 558 HD1 TYR 81 1HD TYR 81 -6.305 -10.437 4.279 559 HD2 TYR 81 2HD TYR 81 -4.638 -6.857 5.862 560 HE1 TYR 81 1HE TYR 81 -8.570 -9.537 4.612 561 HE2 TYR 81 2HE TYR 81 -6.898 -5.948 6.201 562 HH TYR 81 HH TYR 81 -9.545 -7.017 4.761 563 H ASP 82 H ASP 82 -3.133 -11.475 2.689 564 HA ASP 82 HA ASP 82 -0.588 -12.126 3.576 565 HB2 ASP 82 1HB ASP 82 -1.794 -13.242 1.046 566 HB3 ASP 82 2HB ASP 82 -0.712 -14.046 2.180 567 H LYS 83 H LYS 83 -1.597 -10.599 0.569 568 HA LYS 83 HA LYS 83 1.105 -10.587 -0.483 569 HB2 LYS 83 1HB LYS 83 -1.421 -9.316 -1.553 570 HB3 LYS 83 2HB LYS 83 0.111 -9.421 -2.409 571 HG2 LYS 83 1HG LYS 83 -0.066 -11.737 -2.679 572 HG3 LYS 83 2HG LYS 83 -1.321 -11.872 -1.445 573 HD2 LYS 83 1HD LYS 83 -2.957 -10.951 -2.846 574 HD3 LYS 83 2HD LYS 83 -1.757 -10.282 -3.954 575 HE2 LYS 83 1HE LYS 83 -1.104 -12.771 -4.326 576 HE3 LYS 83 2HE LYS 83 -2.701 -13.106 -3.657 577 HZ1 LYS 83 1HZ LYS 83 -3.517 -11.445 -5.395 578 HZ2 LYS 83 2HZ LYS 83 -3.052 -12.979 -5.934 579 HZ3 LYS 83 3HZ LYS 83 -2.012 -11.661 -6.138 580 H ALA 84 H ALA 84 -1.272 -8.215 0.671 581 HA ALA 84 HA ALA 84 -0.018 -5.848 0.245 582 HB1 ALA 84 1HB ALA 84 -1.405 -4.942 1.805 583 HB2 ALA 84 2HB ALA 84 -2.191 -6.510 1.616 584 HB3 ALA 84 3HB ALA 84 -1.107 -6.225 2.978 585 H GLU 85 H GLU 85 0.484 -7.823 3.178 586 HA GLU 85 HA GLU 85 2.389 -6.404 4.471 587 HB2 GLU 85 1HB GLU 85 1.415 -8.671 5.099 588 HB3 GLU 85 2HB GLU 85 2.663 -9.381 4.085 589 HG2 GLU 85 1HG GLU 85 4.226 -7.859 5.583 590 HG3 GLU 85 2HG GLU 85 2.887 -8.038 6.716 591 H THR 86 H THR 86 3.011 -8.669 1.804 592 HA THR 86 HA THR 86 5.780 -8.437 1.705 593 HB THR 86 HB THR 86 3.968 -8.793 -0.688 594 HG1 THR 86 1HG THR 86 5.121 -10.924 0.754 595 HG21 THR 86 1HG2 THR 86 6.622 -10.108 -0.384 596 HG22 THR 86 2HG2 THR 86 6.581 -8.398 -0.814 597 HG23 THR 86 3HG2 THR 86 5.782 -9.586 -1.843 598 H GLU 87 H GLU 87 3.431 -6.721 -0.368 599 HA GLU 87 HA GLU 87 5.120 -5.046 -1.708 600 HB2 GLU 87 1HB GLU 87 2.306 -4.731 -0.749 601 HB3 GLU 87 2HB GLU 87 3.114 -3.354 -1.484 602 HG2 GLU 87 1HG GLU 87 3.431 -4.532 -3.528 603 HG3 GLU 87 2HG GLU 87 2.886 -6.044 -2.804 604 H ALA 88 H ALA 88 3.334 -3.980 1.190 605 HA ALA 88 HA ALA 88 4.438 -1.616 1.745 606 HB1 ALA 88 1HB ALA 88 3.030 -3.469 3.222 607 HB2 ALA 88 2HB ALA 88 4.505 -3.232 4.161 608 HB3 ALA 88 3HB ALA 88 3.490 -1.850 3.750 609 H SER 89 H SER 89 5.919 -4.619 2.989 610 HA SER 89 HA SER 89 8.192 -3.681 4.105 611 HB2 SER 89 1HB SER 89 7.682 -6.057 4.066 612 HB3 SER 89 2HB SER 89 7.949 -6.118 2.323 613 HG SER 89 HG SER 89 9.788 -5.983 4.408 614 H LYS 90 H LYS 90 7.942 -4.546 0.653 615 HA LYS 90 HA LYS 90 10.438 -3.776 -0.192 616 HB2 LYS 90 1HB LYS 90 7.790 -3.532 -1.625 617 HB3 LYS 90 2HB LYS 90 9.346 -3.300 -2.410 618 HG2 LYS 90 1HG LYS 90 9.955 -5.619 -1.723 619 HG3 LYS 90 2HG LYS 90 8.298 -5.823 -1.150 620 HD2 LYS 90 1HD LYS 90 7.572 -5.144 -3.493 621 HD3 LYS 90 2HD LYS 90 9.259 -5.363 -3.964 622 HE2 LYS 90 1HE LYS 90 7.664 -7.502 -2.575 623 HE3 LYS 90 2HE LYS 90 7.710 -7.339 -4.330 624 HZ1 LYS 90 1HZ LYS 90 9.678 -8.328 -4.398 625 HZ2 LYS 90 2HZ LYS 90 9.505 -8.699 -2.757 626 HZ3 LYS 90 3HZ LYS 90 10.329 -7.298 -3.224 627 H ALA 91 H ALA 91 7.539 -1.726 0.033 628 HA ALA 91 HA ALA 91 8.592 0.642 -0.933 629 HB1 ALA 91 1HB ALA 91 6.880 1.766 0.503 630 HB2 ALA 91 2HB ALA 91 6.251 0.468 -0.512 631 HB3 ALA 91 3HB ALA 91 6.522 0.189 1.208 632 H ILE 92 H ILE 92 8.271 -0.184 2.527 633 HA ILE 92 HA ILE 92 9.741 1.912 3.560 634 HB ILE 92 HB ILE 92 9.560 -0.908 4.625 635 HG12 ILE 92 1HG1 ILE 92 8.019 1.517 5.538 636 HG13 ILE 92 2HG1 ILE 92 7.427 0.468 4.254 637 HG21 ILE 92 1HG2 ILE 92 11.013 1.424 5.563 638 HG22 ILE 92 2HG2 ILE 92 9.880 0.807 6.764 639 HG23 ILE 92 3HG2 ILE 92 11.113 -0.257 6.087 640 HD11 ILE 92 1HD1 ILE 92 8.014 -0.347 7.090 641 HD12 ILE 92 2HD1 ILE 92 6.421 -0.125 6.365 642 HD13 ILE 92 3HD1 ILE 92 7.471 -1.427 5.807 643 H GLU 93 H GLU 93 10.852 -0.941 1.936 644 HA GLU 93 HA GLU 93 13.577 -0.710 2.845 645 HB2 GLU 93 1HB GLU 93 13.263 -2.895 2.315 646 HB3 GLU 93 2HB GLU 93 12.038 -2.534 1.106 647 HG2 GLU 93 1HG GLU 93 13.877 -3.489 -0.028 648 HG3 GLU 93 2HG GLU 93 13.877 -1.766 -0.404 649 H LYS 94 H LYS 94 11.721 0.193 -0.004 650 HA LYS 94 HA LYS 94 13.833 0.908 -1.693 651 HB2 LYS 94 1HB LYS 94 10.978 1.831 -1.483 652 HB3 LYS 94 2HB LYS 94 12.069 2.515 -2.680 653 HG2 LYS 94 1HG LYS 94 11.774 -0.446 -2.493 654 HG3 LYS 94 2HG LYS 94 10.523 0.510 -3.292 655 HD2 LYS 94 1HD LYS 94 12.067 1.350 -4.890 656 HD3 LYS 94 2HD LYS 94 13.447 0.725 -3.983 657 HE2 LYS 94 1HE LYS 94 12.992 -0.676 -5.915 658 HE3 LYS 94 2HE LYS 94 12.686 -1.565 -4.424 659 HZ1 LYS 94 1HZ LYS 94 10.977 -1.412 -6.489 660 HZ2 LYS 94 2HZ LYS 94 10.385 -0.183 -5.488 661 HZ3 LYS 94 3HZ LYS 94 10.522 -1.762 -4.897 662 H ASP 95 H ASP 95 11.952 2.918 0.562 663 HA ASP 95 HA ASP 95 13.882 5.088 0.220 664 HB2 ASP 95 1HB ASP 95 11.670 5.897 0.096 665 HB3 ASP 95 2HB ASP 95 11.147 4.924 1.468 666 H GLY 96 H GLY 96 12.131 3.830 3.063 667 HA2 GLY 96 1HA GLY 96 13.609 2.684 4.759 668 HA3 GLY 96 2HA GLY 96 14.657 4.082 4.574 669 H GLY 97 H GLY 97 12.706 6.103 4.489 670 HA2 GLY 97 1HA GLY 97 11.636 5.924 7.239 671 HA3 GLY 97 2HA GLY 97 12.282 7.401 6.541 672 H ASP 98 H ASP 98 9.932 4.951 5.451 673 HA ASP 98 HA ASP 98 8.034 7.154 4.967 674 HB2 ASP 98 1HB ASP 98 7.075 5.596 3.186 675 HB3 ASP 98 2HB ASP 98 8.632 6.338 2.829 676 H VAL 99 H VAL 99 6.960 6.988 6.919 677 HA VAL 99 HA VAL 99 6.100 4.577 8.097 678 HB VAL 99 HB VAL 99 4.688 5.922 9.520 679 HG11 VAL 99 1HG1 VAL 99 6.552 7.896 9.822 680 HG12 VAL 99 2HG1 VAL 99 6.678 6.268 10.491 681 HG13 VAL 99 3HG1 VAL 99 7.463 6.656 8.960 682 HG21 VAL 99 1HG2 VAL 99 3.742 7.349 7.738 683 HG22 VAL 99 2HG2 VAL 99 4.284 8.275 9.137 684 HG23 VAL 99 3HG2 VAL 99 5.265 8.236 7.672 685 H LYS 100 H LYS 100 4.616 6.737 5.755 686 HA LYS 100 HA LYS 100 2.009 6.113 5.706 687 HB2 LYS 100 1HB LYS 100 3.762 6.074 3.242 688 HB3 LYS 100 2HB LYS 100 2.026 6.358 3.276 689 HG2 LYS 100 1HG LYS 100 4.100 8.125 4.558 690 HG3 LYS 100 2HG LYS 100 3.312 8.427 3.008 691 HD2 LYS 100 1HD LYS 100 1.817 8.108 5.605 692 HD3 LYS 100 2HD LYS 100 2.337 9.668 4.963 693 HE2 LYS 100 1HE LYS 100 0.568 7.716 3.496 694 HE3 LYS 100 2HE LYS 100 -0.023 9.091 4.428 695 HZ1 LYS 100 1HZ LYS 100 1.601 10.400 2.899 696 HZ2 LYS 100 2HZ LYS 100 0.068 9.966 2.331 697 HZ3 LYS 100 3HZ LYS 100 1.424 9.065 1.874 698 H ALA 101 H ALA 101 4.608 3.981 4.639 699 HA ALA 101 HA ALA 101 2.778 1.909 3.799 700 HB1 ALA 101 1HB ALA 101 4.529 1.157 2.661 701 HB2 ALA 101 2HB ALA 101 5.455 2.527 3.276 702 HB3 ALA 101 3HB ALA 101 5.481 0.988 4.136 703 H LEU 102 H LEU 102 4.864 2.577 6.560 704 HA LEU 102 HA LEU 102 4.724 0.099 7.835 705 HB2 LEU 102 1HB LEU 102 5.202 2.897 8.728 706 HB3 LEU 102 2HB LEU 102 4.912 1.664 9.953 707 HG LEU 102 HG LEU 102 7.025 1.244 7.877 708 HD11 LEU 102 1HD1 LEU 102 7.717 3.336 8.629 709 HD12 LEU 102 2HD1 LEU 102 8.597 2.209 9.661 710 HD13 LEU 102 3HD1 LEU 102 7.165 3.034 10.277 711 HD21 LEU 102 1HD2 LEU 102 7.354 0.462 10.700 712 HD22 LEU 102 2HD2 LEU 102 7.726 -0.426 9.222 713 HD23 LEU 102 3HD2 LEU 102 6.067 -0.360 9.817 714 H TYR 103 H TYR 103 2.536 2.870 7.958 715 HA TYR 103 HA TYR 103 0.839 1.814 9.973 716 HB2 TYR 103 1HB TYR 103 0.892 4.204 9.476 717 HB3 TYR 103 2HB TYR 103 0.288 3.899 7.851 718 HD1 TYR 103 2HD TYR 103 -0.856 2.410 11.063 719 HD2 TYR 103 1HD TYR 103 -1.774 4.999 7.814 720 HE1 TYR 103 2HE TYR 103 -3.164 2.616 11.887 721 HE2 TYR 103 1HE TYR 103 -4.085 5.213 8.630 722 HH TYR 103 HH TYR 103 -5.563 3.277 10.495 723 H ARG 104 H ARG 104 1.045 1.396 6.530 724 HA ARG 104 HA ARG 104 -1.582 0.211 6.296 725 HB2 ARG 104 1HB ARG 104 0.670 0.803 4.428 726 HB3 ARG 104 2HB ARG 104 -0.508 -0.416 3.959 727 HG2 ARG 104 1HG ARG 104 -2.240 1.436 4.579 728 HG3 ARG 104 2HG ARG 104 -0.864 2.515 4.342 729 HD2 ARG 104 1HD ARG 104 -0.578 1.160 2.119 730 HD3 ARG 104 2HD ARG 104 -2.279 0.775 2.374 731 HE ARG 104 HE ARG 104 -2.825 2.948 1.862 732 HH11 ARG 104 2HH1 ARG 104 0.616 2.679 2.324 733 HH12 ARG 104 1HH1 ARG 104 0.952 4.268 1.723 734 HH21 ARG 104 2HH2 ARG 104 -2.394 5.043 1.069 735 HH22 ARG 104 1HH2 ARG 104 -0.760 5.613 1.010 736 H ARG 105 H ARG 105 1.735 -0.850 6.643 737 HA ARG 105 HA ARG 105 1.381 -3.551 5.928 738 HB2 ARG 105 1HB ARG 105 3.592 -2.516 6.116 739 HB3 ARG 105 2HB ARG 105 3.362 -2.315 7.848 740 HG2 ARG 105 1HG ARG 105 3.524 -4.615 8.253 741 HG3 ARG 105 2HG ARG 105 3.280 -5.016 6.552 742 HD2 ARG 105 1HD ARG 105 5.438 -4.464 5.972 743 HD3 ARG 105 2HD ARG 105 5.627 -3.349 7.325 744 HE ARG 105 HE ARG 105 5.380 -5.812 8.484 745 HH11 ARG 105 2HH1 ARG 105 7.495 -4.397 6.109 746 HH12 ARG 105 1HH1 ARG 105 8.847 -5.398 6.525 747 HH21 ARG 105 2HH2 ARG 105 7.152 -7.136 9.042 748 HH22 ARG 105 1HH2 ARG 105 8.650 -6.956 8.193 749 H SER 106 H SER 106 1.191 -1.897 9.060 750 HA SER 106 HA SER 106 0.862 -4.048 10.745 751 HB2 SER 106 1HB SER 106 -0.080 -2.553 12.314 752 HB3 SER 106 2HB SER 106 0.971 -1.547 11.318 753 HG SER 106 HG SER 106 -0.758 -0.659 10.357 754 H GLN 107 H GLN 107 -1.629 -2.372 8.855 755 HA GLN 107 HA GLN 107 -3.894 -3.638 9.754 756 HB2 GLN 107 1HB GLN 107 -3.315 -2.972 6.864 757 HB3 GLN 107 2HB GLN 107 -4.901 -3.141 7.606 758 HG2 GLN 107 1HG GLN 107 -2.870 -1.035 8.315 759 HG3 GLN 107 2HG GLN 107 -4.259 -0.800 7.254 760 HE21 GLN 107 1HE2 GLN 107 -4.138 0.872 9.264 761 HE22 GLN 107 2HE2 GLN 107 -5.258 0.474 10.517 762 H ALA 108 H ALA 108 -1.443 -4.856 7.557 763 HA ALA 108 HA ALA 108 -2.913 -7.204 6.818 764 HB1 ALA 108 1HB ALA 108 -0.862 -7.914 5.730 765 HB2 ALA 108 2HB ALA 108 -1.206 -6.226 5.351 766 HB3 ALA 108 3HB ALA 108 0.034 -6.628 6.539 767 H LEU 109 H LEU 109 -0.013 -6.683 8.832 768 HA LEU 109 HA LEU 109 0.448 -9.199 9.751 769 HB2 LEU 109 1HB LEU 109 0.541 -6.637 11.335 770 HB3 LEU 109 2HB LEU 109 1.261 -8.159 11.855 771 HG LEU 109 HG LEU 109 2.065 -6.756 9.315 772 HD11 LEU 109 1HD1 LEU 109 3.572 -6.612 11.905 773 HD12 LEU 109 2HD1 LEU 109 2.388 -5.389 11.446 774 HD13 LEU 109 3HD1 LEU 109 3.806 -5.666 10.435 775 HD21 LEU 109 1HD2 LEU 109 2.842 -9.203 10.724 776 HD22 LEU 109 2HD2 LEU 109 4.195 -8.179 10.244 777 HD23 LEU 109 3HD2 LEU 109 3.048 -8.750 9.032 778 H GLU 110 H GLU 110 -1.985 -6.936 10.976 779 HA GLU 110 HA GLU 110 -2.886 -8.408 13.159 780 HB2 GLU 110 1HB GLU 110 -4.399 -6.553 11.316 781 HB3 GLU 110 2HB GLU 110 -5.049 -7.181 12.824 782 HG2 GLU 110 1HG GLU 110 -2.438 -5.750 12.849 783 HG3 GLU 110 2HG GLU 110 -3.935 -4.826 12.731 784 H LYS 111 H LYS 111 -4.208 -8.369 9.848 785 HA LYS 111 HA LYS 111 -6.105 -10.401 10.264 786 HB2 LYS 111 1HB LYS 111 -4.868 -9.093 7.897 787 HB3 LYS 111 2HB LYS 111 -5.673 -10.635 7.631 788 HG2 LYS 111 1HG LYS 111 -7.397 -9.191 7.251 789 HG3 LYS 111 2HG LYS 111 -7.615 -9.496 8.976 790 HD2 LYS 111 1HD LYS 111 -5.850 -7.244 8.169 791 HD3 LYS 111 2HD LYS 111 -7.593 -7.039 7.978 792 HE2 LYS 111 1HE LYS 111 -6.054 -7.621 10.498 793 HE3 LYS 111 2HE LYS 111 -7.036 -6.204 10.128 794 HZ1 LYS 111 1HZ LYS 111 -8.780 -8.258 9.853 795 HZ2 LYS 111 2HZ LYS 111 -8.637 -7.273 11.221 796 HZ3 LYS 111 3HZ LYS 111 -7.834 -8.761 11.162 797 H LEU 112 H LEU 112 -2.696 -10.501 9.628 798 HA LEU 112 HA LEU 112 -2.679 -13.280 8.849 799 HB2 LEU 112 1HB LEU 112 -0.522 -11.276 9.450 800 HB3 LEU 112 2HB LEU 112 -0.167 -12.969 9.115 801 HG LEU 112 HG LEU 112 -1.538 -11.068 7.214 802 HD11 LEU 112 1HD1 LEU 112 0.594 -10.293 7.090 803 HD12 LEU 112 2HD1 LEU 112 0.741 -11.661 5.988 804 HD13 LEU 112 3HD1 LEU 112 1.299 -11.808 7.654 805 HD21 LEU 112 1HD2 LEU 112 -2.053 -12.835 5.976 806 HD22 LEU 112 2HD2 LEU 112 -1.529 -13.872 7.303 807 HD23 LEU 112 3HD2 LEU 112 -0.389 -13.417 6.036 808 H GLY 113 H GLY 113 -3.213 -11.810 11.715 809 HA2 GLY 113 1HA GLY 113 -3.402 -12.777 13.816 810 HA3 GLY 113 2HA GLY 113 -2.590 -14.207 13.197 811 H ARG 114 H ARG 114 -0.852 -11.444 12.431 812 HA ARG 114 HA ARG 114 1.065 -12.031 14.563 813 HB2 ARG 114 1HB ARG 114 1.388 -10.422 12.023 814 HB3 ARG 114 2HB ARG 114 2.667 -10.760 13.181 815 HG2 ARG 114 1HG ARG 114 2.540 -13.118 12.704 816 HG3 ARG 114 2HG ARG 114 1.157 -12.858 11.638 817 HD2 ARG 114 1HD ARG 114 2.516 -11.589 10.108 818 HD3 ARG 114 2HD ARG 114 3.890 -11.661 11.209 819 HE ARG 114 HE ARG 114 3.165 -14.278 10.646 820 HH11 ARG 114 2HH1 ARG 114 4.348 -11.493 8.925 821 HH12 ARG 114 1HH1 ARG 114 5.179 -12.425 7.724 822 HH21 ARG 114 2HH2 ARG 114 4.255 -15.517 9.070 823 HH22 ARG 114 1HH2 ARG 114 5.125 -14.714 7.807 824 H LEU 115 H LEU 115 -0.864 -10.800 15.771 825 HA LEU 115 HA LEU 115 -1.100 -8.034 15.643 826 HB2 LEU 115 1HB LEU 115 -1.226 -9.700 18.149 827 HB3 LEU 115 2HB LEU 115 -1.981 -8.131 17.879 828 HG LEU 115 HG LEU 115 -2.739 -10.740 16.567 829 HD11 LEU 115 1HD1 LEU 115 -4.418 -10.925 18.052 830 HD12 LEU 115 2HD1 LEU 115 -4.674 -9.183 18.143 831 HD13 LEU 115 3HD1 LEU 115 -3.368 -9.931 19.062 832 HD21 LEU 115 1HD2 LEU 115 -4.737 -8.981 16.016 833 HD22 LEU 115 2HD2 LEU 115 -3.437 -9.406 14.903 834 HD23 LEU 115 3HD2 LEU 115 -3.315 -7.947 15.887 835 H ASP 116 H ASP 116 0.880 -9.875 17.975 836 HA ASP 116 HA ASP 116 2.195 -7.976 19.313 837 HB2 ASP 116 1HB ASP 116 3.414 -10.435 18.049 838 HB3 ASP 116 2HB ASP 116 4.248 -9.439 19.239 839 H GLN 117 H GLN 117 2.927 -8.900 15.976 840 HA GLN 117 HA GLN 117 5.139 -7.148 15.679 841 HB2 GLN 117 1HB GLN 117 3.335 -8.410 13.609 842 HB3 GLN 117 2HB GLN 117 4.826 -7.554 13.243 843 HG2 GLN 117 1HG GLN 117 4.911 -9.822 15.165 844 HG3 GLN 117 2HG GLN 117 4.769 -10.165 13.441 845 HE21 GLN 117 1HE2 GLN 117 6.789 -11.083 13.283 846 HE22 GLN 117 2HE2 GLN 117 8.248 -10.165 13.399 847 H ALA 118 H ALA 118 1.748 -6.913 14.620 848 HA ALA 118 HA ALA 118 1.657 -4.581 13.288 849 HB1 ALA 118 1HB ALA 118 -0.233 -5.616 15.380 850 HB2 ALA 118 2HB ALA 118 -0.571 -4.158 14.447 851 HB3 ALA 118 3HB ALA 118 -0.377 -5.705 13.624 852 H VAL 119 H VAL 119 1.757 -4.844 16.832 853 HA VAL 119 HA VAL 119 1.680 -2.078 17.361 854 HB VAL 119 HB VAL 119 2.698 -4.412 18.966 855 HG11 VAL 119 1HG1 VAL 119 2.417 -2.392 20.779 856 HG12 VAL 119 2HG1 VAL 119 3.952 -2.948 20.111 857 HG13 VAL 119 3HG1 VAL 119 3.136 -1.552 19.406 858 HG21 VAL 119 1HG2 VAL 119 0.273 -2.632 19.144 859 HG22 VAL 119 2HG2 VAL 119 0.317 -4.351 18.752 860 HG23 VAL 119 3HG2 VAL 119 0.725 -3.808 20.379 861 H LEU 120 H LEU 120 4.380 -4.324 16.907 862 HA LEU 120 HA LEU 120 6.441 -2.500 17.515 863 HB2 LEU 120 1HB LEU 120 6.521 -4.891 15.681 864 HB3 LEU 120 2HB LEU 120 7.918 -4.070 16.374 865 HG LEU 120 HG LEU 120 5.865 -5.272 18.184 866 HD11 LEU 120 1HD1 LEU 120 6.209 -7.309 17.367 867 HD12 LEU 120 2HD1 LEU 120 7.874 -7.171 17.930 868 HD13 LEU 120 3HD1 LEU 120 7.466 -6.732 16.272 869 HD21 LEU 120 1HD2 LEU 120 7.377 -4.215 19.504 870 HD22 LEU 120 2HD2 LEU 120 8.676 -4.350 18.318 871 HD23 LEU 120 3HD2 LEU 120 8.236 -5.743 19.308 872 H ASP 121 H ASP 121 5.103 -3.540 14.383 873 HA ASP 121 HA ASP 121 6.690 -1.856 12.789 874 HB2 ASP 121 1HB ASP 121 5.062 -3.854 12.187 875 HB3 ASP 121 2HB ASP 121 3.910 -2.544 11.938 876 H LEU 122 H LEU 122 4.085 -1.157 14.864 877 HA LEU 122 HA LEU 122 3.391 1.322 13.494 878 HB2 LEU 122 1HB LEU 122 2.261 -0.195 15.809 879 HB3 LEU 122 2HB LEU 122 1.856 1.506 15.587 880 HG LEU 122 HG LEU 122 1.387 -0.584 13.470 881 HD11 LEU 122 1HD1 LEU 122 -0.747 -0.976 14.249 882 HD12 LEU 122 2HD1 LEU 122 -0.779 0.496 15.219 883 HD13 LEU 122 3HD1 LEU 122 0.176 -0.888 15.750 884 HD21 LEU 122 1HD2 LEU 122 1.517 1.872 12.875 885 HD22 LEU 122 2HD2 LEU 122 0.064 2.091 13.851 886 HD23 LEU 122 3HD2 LEU 122 0.025 1.043 12.432 887 H GLN 123 H GLN 123 4.898 0.201 16.482 888 HA GLN 123 HA GLN 123 5.160 2.526 17.903 889 HB2 GLN 123 1HB GLN 123 6.996 0.172 17.581 890 HB3 GLN 123 2HB GLN 123 7.450 1.527 18.606 891 HG2 GLN 123 1HG GLN 123 5.095 1.133 19.664 892 HG3 GLN 123 2HG GLN 123 5.274 -0.473 18.960 893 HE21 GLN 123 1HE2 GLN 123 5.859 -1.840 20.478 894 HE22 GLN 123 2HE2 GLN 123 7.057 -1.565 21.692 895 H ARG 124 H ARG 124 6.563 1.769 14.871 896 HA ARG 124 HA ARG 124 8.644 3.786 15.075 897 HB2 ARG 124 1HB ARG 124 7.791 1.981 12.807 898 HB3 ARG 124 2HB ARG 124 9.114 3.134 12.702 899 HG2 ARG 124 1HG ARG 124 10.489 1.893 14.033 900 HG3 ARG 124 2HG ARG 124 9.151 1.158 14.918 901 HD2 ARG 124 1HD ARG 124 8.760 -0.422 13.272 902 HD3 ARG 124 2HD ARG 124 9.536 0.546 12.019 903 HE ARG 124 HE ARG 124 11.523 -0.093 13.815 904 HH11 ARG 124 2HH1 ARG 124 9.301 -1.826 11.771 905 HH12 ARG 124 1HH1 ARG 124 10.360 -3.178 11.544 906 HH21 ARG 124 2HH2 ARG 124 12.927 -1.867 13.523 907 HH22 ARG 124 1HH2 ARG 124 12.423 -3.200 12.541 908 H CYS 125 H CYS 125 5.475 3.369 13.650 909 HA CYS 125 HA CYS 125 5.430 5.463 11.833 910 HB2 CYS 125 1HB CYS 125 3.234 4.344 13.579 911 HB3 CYS 125 2HB CYS 125 2.947 5.526 12.308 912 HG CYS 125 HG CYS 125 2.878 3.876 10.332 913 H VAL 126 H VAL 126 5.353 5.528 15.300 914 HA VAL 126 HA VAL 126 4.485 8.293 15.429 915 HB VAL 126 HB VAL 126 5.502 6.505 17.642 916 HG11 VAL 126 1HG1 VAL 126 5.725 8.765 18.322 917 HG12 VAL 126 2HG1 VAL 126 4.151 9.195 17.650 918 HG13 VAL 126 3HG1 VAL 126 4.251 8.159 19.075 919 HG21 VAL 126 1HG2 VAL 126 3.542 5.466 17.564 920 HG22 VAL 126 2HG2 VAL 126 2.730 7.002 17.865 921 HG23 VAL 126 3HG2 VAL 126 3.033 6.475 16.210 922 H SER 127 H SER 127 7.453 6.430 15.859 923 HA SER 127 HA SER 127 9.079 8.510 16.816 924 HB2 SER 127 1HB SER 127 9.618 6.030 16.793 925 HB3 SER 127 2HB SER 127 10.025 6.218 15.087 926 HG SER 127 HG SER 127 11.621 7.709 15.690 927 H LEU 128 H LEU 128 8.185 7.539 13.560 928 HA LEU 128 HA LEU 128 10.001 9.421 12.325 929 HB2 LEU 128 1HB LEU 128 8.084 7.360 11.394 930 HB3 LEU 128 2HB LEU 128 8.443 8.686 10.291 931 HG LEU 128 HG LEU 128 10.695 7.155 11.517 932 HD11 LEU 128 1HD1 LEU 128 9.453 6.237 8.958 933 HD12 LEU 128 2HD1 LEU 128 8.876 5.613 10.503 934 HD13 LEU 128 3HD1 LEU 128 10.561 5.387 10.036 935 HD21 LEU 128 1HD2 LEU 128 11.779 8.590 10.207 936 HD22 LEU 128 2HD2 LEU 128 10.288 9.108 9.419 937 HD23 LEU 128 3HD2 LEU 128 11.148 7.684 8.832 938 H GLU 129 H GLU 129 6.543 9.157 12.972 939 HA GLU 129 HA GLU 129 6.271 11.994 12.226 940 HB2 GLU 129 1HB GLU 129 4.284 9.764 11.760 941 HB3 GLU 129 2HB GLU 129 3.930 11.471 11.534 942 HG2 GLU 129 1HG GLU 129 5.551 9.632 9.880 943 HG3 GLU 129 2HG GLU 129 4.441 10.913 9.398 944 HA PRO 130 HA PRO 130 5.094 11.546 16.648 945 HB2 PRO 130 1HB PRO 130 6.085 13.967 17.372 946 HB3 PRO 130 2HB PRO 130 7.082 12.511 17.275 947 HG2 PRO 130 1HG PRO 130 6.779 14.734 15.293 948 HG3 PRO 130 2HG PRO 130 8.252 13.901 15.823 949 HD2 PRO 130 1HD PRO 130 7.009 13.321 13.488 950 HD3 PRO 130 2HD PRO 130 7.882 12.098 14.435 951 H LYS 131 H LYS 131 4.217 13.539 14.068 952 HA LYS 131 HA LYS 131 2.267 15.049 15.651 953 HB2 LYS 131 1HB LYS 131 2.556 15.416 12.705 954 HB3 LYS 131 2HB LYS 131 2.183 16.602 13.949 955 HG2 LYS 131 1HG LYS 131 4.441 16.771 14.606 956 HG3 LYS 131 2HG LYS 131 4.891 15.329 13.692 957 HD2 LYS 131 1HD LYS 131 4.298 16.537 11.603 958 HD3 LYS 131 2HD LYS 131 4.006 17.986 12.567 959 HE2 LYS 131 1HE LYS 131 6.203 18.176 11.693 960 HE3 LYS 131 2HE LYS 131 6.370 17.775 13.402 961 HZ1 LYS 131 1HZ LYS 131 6.747 15.984 11.073 962 HZ2 LYS 131 2HZ LYS 131 6.599 15.403 12.654 963 HZ3 LYS 131 3HZ LYS 131 7.887 16.421 12.245 964 H ASN 132 H ASN 132 2.534 12.502 13.301 965 HA ASN 132 HA ASN 132 -0.148 12.475 12.411 966 HB2 ASN 132 1HB ASN 132 2.113 10.515 12.381 967 HB3 ASN 132 2HB ASN 132 0.492 9.953 11.981 968 HD21 ASN 132 1HD2 ASN 132 1.573 13.187 11.298 969 HD22 ASN 132 2HD2 ASN 132 1.642 13.016 9.580 970 H LYS 133 H LYS 133 -1.210 12.842 14.495 971 HA LYS 133 HA LYS 133 -1.204 11.231 16.703 972 HB2 LYS 133 1HB LYS 133 -3.272 12.141 17.270 973 HB3 LYS 133 2HB LYS 133 -2.601 13.346 16.178 974 HG2 LYS 133 1HG LYS 133 -4.483 11.188 15.268 975 HG3 LYS 133 2HG LYS 133 -5.027 12.767 15.841 976 HD2 LYS 133 1HD LYS 133 -2.966 12.568 13.678 977 HD3 LYS 133 2HD LYS 133 -4.680 12.384 13.297 978 HE2 LYS 133 1HE LYS 133 -5.155 14.567 14.223 979 HE3 LYS 133 2HE LYS 133 -3.479 14.744 14.743 980 HZ1 LYS 133 1HZ LYS 133 -4.637 15.292 12.208 981 HZ2 LYS 133 2HZ LYS 133 -3.359 14.196 12.051 982 HZ3 LYS 133 3HZ LYS 133 -3.100 15.695 12.792 983 H VAL 134 H VAL 134 -2.896 10.670 13.651 984 HA VAL 134 HA VAL 134 -4.555 8.611 14.143 985 HB VAL 134 HB VAL 134 -3.980 7.656 11.933 986 HG11 VAL 134 1HG1 VAL 134 -5.171 10.026 12.476 987 HG12 VAL 134 2HG1 VAL 134 -3.906 10.538 11.356 988 HG13 VAL 134 3HG1 VAL 134 -5.074 9.309 10.868 989 HG21 VAL 134 1HG2 VAL 134 -1.656 9.539 12.180 990 HG22 VAL 134 2HG2 VAL 134 -1.648 7.821 11.783 991 HG23 VAL 134 3HG2 VAL 134 -2.245 8.995 10.610 992 H PHE 135 H PHE 135 -1.032 8.381 13.974 993 HA PHE 135 HA PHE 135 -0.945 5.550 14.297 994 HB2 PHE 135 1HB PHE 135 1.252 7.538 14.897 995 HB3 PHE 135 2HB PHE 135 1.438 5.823 14.547 996 HD1 PHE 135 1HD PHE 135 -0.314 5.478 12.228 997 HD2 PHE 135 2HD PHE 135 2.370 8.636 13.197 998 HE1 PHE 135 1HE PHE 135 -0.062 5.994 9.835 999 HE2 PHE 135 2HE PHE 135 2.626 9.157 10.806 1000 HZ PHE 135 HZ PHE 135 1.409 7.836 9.122 1001 H GLN 136 H GLN 136 -0.258 8.255 16.512 1002 HA GLN 136 HA GLN 136 0.396 6.942 18.797 1003 HB2 GLN 136 1HB GLN 136 -1.459 9.320 18.589 1004 HB3 GLN 136 2HB GLN 136 -0.624 8.810 20.051 1005 HG2 GLN 136 1HG GLN 136 1.524 9.088 18.665 1006 HG3 GLN 136 2HG GLN 136 0.510 10.015 17.560 1007 HE21 GLN 136 1HE2 GLN 136 2.351 11.516 18.386 1008 HE22 GLN 136 2HE2 GLN 136 1.912 12.538 19.708 1009 H GLU 137 H GLU 137 -2.737 7.069 17.284 1010 HA GLU 137 HA GLU 137 -4.027 5.816 19.580 1011 HB2 GLU 137 1HB GLU 137 -5.423 6.277 16.977 1012 HB3 GLU 137 2HB GLU 137 -6.060 6.353 18.614 1013 HG2 GLU 137 1HG GLU 137 -4.059 8.361 17.667 1014 HG3 GLU 137 2HG GLU 137 -5.769 8.532 17.271 1015 H ALA 138 H ALA 138 -3.549 5.139 16.115 1016 HA ALA 138 HA ALA 138 -4.662 2.687 15.842 1017 HB1 ALA 138 1HB ALA 138 -3.449 2.461 13.938 1018 HB2 ALA 138 2HB ALA 138 -3.103 4.161 14.260 1019 HB3 ALA 138 3HB ALA 138 -1.934 2.922 14.715 1020 H LEU 139 H LEU 139 -1.749 3.453 17.613 1021 HA LEU 139 HA LEU 139 -0.806 0.790 17.905 1022 HB2 LEU 139 1HB LEU 139 0.387 3.074 18.289 1023 HB3 LEU 139 2HB LEU 139 -0.270 2.935 19.918 1024 HG LEU 139 HG LEU 139 1.943 2.133 20.030 1025 HD11 LEU 139 1HD1 LEU 139 0.483 -0.451 19.712 1026 HD12 LEU 139 2HD1 LEU 139 -0.008 0.688 20.966 1027 HD13 LEU 139 3HD1 LEU 139 1.635 0.045 20.952 1028 HD21 LEU 139 1HD2 LEU 139 1.272 0.762 17.459 1029 HD22 LEU 139 2HD2 LEU 139 2.560 0.135 18.488 1030 HD23 LEU 139 3HD2 LEU 139 2.655 1.780 17.859 1031 H ARG 140 H ARG 140 -2.432 2.957 20.231 1032 HA ARG 140 HA ARG 140 -2.825 1.004 22.209 1033 HB2 ARG 140 1HB ARG 140 -3.940 2.626 23.373 1034 HB3 ARG 140 2HB ARG 140 -3.110 3.644 22.204 1035 HG2 ARG 140 1HG ARG 140 -5.107 3.740 20.831 1036 HG3 ARG 140 2HG ARG 140 -5.944 2.662 21.949 1037 HD2 ARG 140 1HD ARG 140 -6.695 4.657 22.746 1038 HD3 ARG 140 2HD ARG 140 -5.214 4.518 23.694 1039 HE ARG 140 HE ARG 140 -5.740 6.378 21.536 1040 HH11 ARG 140 2HH1 ARG 140 -3.369 4.892 23.606 1041 HH12 ARG 140 1HH1 ARG 140 -2.194 6.144 23.377 1042 HH21 ARG 140 2HH2 ARG 140 -4.201 8.033 21.226 1043 HH22 ARG 140 1HH2 ARG 140 -2.668 7.931 22.024 1044 H ASN 141 H ASN 141 -4.738 1.935 19.417 1045 HA ASN 141 HA ASN 141 -7.168 0.766 19.988 1046 HB2 ASN 141 1HB ASN 141 -5.657 1.231 17.448 1047 HB3 ASN 141 2HB ASN 141 -7.137 0.277 17.396 1048 HD21 ASN 141 1HD2 ASN 141 -8.019 1.938 16.074 1049 HD22 ASN 141 2HD2 ASN 141 -8.626 3.391 16.783 1050 H ILE 142 H ILE 142 -4.192 -0.755 18.887 1051 HA ILE 142 HA ILE 142 -5.506 -3.380 18.954 1052 HB ILE 142 HB ILE 142 -3.756 -4.245 17.642 1053 HG12 ILE 142 1HG1 ILE 142 -2.237 -1.701 18.252 1054 HG13 ILE 142 2HG1 ILE 142 -1.863 -3.313 18.852 1055 HG21 ILE 142 1HG2 ILE 142 -3.920 -1.490 16.491 1056 HG22 ILE 142 2HG2 ILE 142 -3.965 -3.050 15.670 1057 HG23 ILE 142 3HG2 ILE 142 -5.361 -2.501 16.598 1058 HD11 ILE 142 1HD1 ILE 142 -1.421 -4.030 16.536 1059 HD12 ILE 142 2HD1 ILE 142 -1.700 -2.373 16.000 1060 HD13 ILE 142 3HD1 ILE 142 -0.354 -2.736 17.079 1061 H SER 143 H SER 143 -3.190 -1.401 20.584 1062 HA SER 143 HA SER 143 -1.880 -3.521 21.995 1063 HB2 SER 143 1HB SER 143 -0.995 -1.139 21.515 1064 HB3 SER 143 2HB SER 143 -1.955 -0.654 22.912 1065 HG SER 143 HG SER 143 -0.735 -1.976 24.201 1066 H GLY 144 H GLY 144 -4.811 -1.772 22.389 1067 HA2 GLY 144 1HA GLY 144 -5.152 -1.900 25.171 1068 HA3 GLY 144 2HA GLY 144 -6.452 -1.838 23.990 1069 HA PRO 145 HA PRO 145 -5.803 -6.161 26.026 1070 HB2 PRO 145 1HB PRO 145 -7.304 -5.932 28.277 1071 HB3 PRO 145 2HB PRO 145 -5.568 -5.601 28.242 1072 HG2 PRO 145 1HG PRO 145 -7.864 -3.684 28.136 1073 HG3 PRO 145 2HG PRO 145 -6.352 -3.569 29.055 1074 HD2 PRO 145 1HD PRO 145 -6.750 -2.237 26.732 1075 HD3 PRO 145 2HD PRO 145 -5.153 -2.830 27.231 1076 H SER 146 H SER 146 -7.405 -7.790 26.010 1077 HA SER 146 HA SER 146 -9.600 -7.307 24.321 1078 HB2 SER 146 1HB SER 146 -8.851 -9.638 26.081 1079 HB3 SER 146 2HB SER 146 -10.315 -9.646 25.098 1080 HG SER 146 HG SER 146 -7.892 -10.273 24.331 1081 H SER 147 H SER 147 -11.832 -7.325 24.726 1082 HA SER 147 HA SER 147 -12.542 -6.387 27.415 1083 HB2 SER 147 1HB SER 147 -14.422 -5.291 26.428 1084 HB3 SER 147 2HB SER 147 -13.044 -4.962 25.378 1085 HG SER 147 HG SER 147 -13.860 -6.256 23.865 1086 H GLY 148 H GLY 148 -14.193 -7.303 28.598 1087 HA2 GLY 148 1HA GLY 148 -15.387 -9.764 27.486 1088 HA3 GLY 148 2HA GLY 148 -14.692 -9.739 29.100 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -15.446 62.216 40.984 2 HA2 GLY 1 1HA GLY 1 -14.094 62.765 38.708 3 HA3 GLY 1 2HA GLY 1 -13.599 61.481 39.801 4 H SER 2 H SER 2 -12.756 60.732 37.613 5 HA SER 2 HA SER 2 -14.398 58.583 36.722 6 HB2 SER 2 1HB SER 2 -15.524 60.245 35.400 7 HB3 SER 2 2HB SER 2 -13.993 60.928 34.855 8 HG SER 2 HG SER 2 -14.380 58.231 34.342 9 H SER 3 H SER 3 -13.257 57.069 35.500 10 HA SER 3 HA SER 3 -10.589 57.663 34.563 11 HB2 SER 3 1HB SER 3 -10.472 57.149 37.096 12 HB3 SER 3 2HB SER 3 -10.825 55.486 36.629 13 HG SER 3 HG SER 3 -8.576 57.066 36.007 14 H GLY 4 H GLY 4 -9.528 55.545 33.757 15 HA2 GLY 4 1HA GLY 4 -11.333 53.419 33.037 16 HA3 GLY 4 2HA GLY 4 -10.940 54.477 31.690 17 H SER 5 H SER 5 -10.267 51.944 31.345 18 HA SER 5 HA SER 5 -7.360 51.885 31.832 19 HB2 SER 5 1HB SER 5 -9.244 49.521 31.648 20 HB3 SER 5 2HB SER 5 -7.496 49.425 31.857 21 HG SER 5 HG SER 5 -8.189 50.972 33.759 22 H SER 6 H SER 6 -6.083 50.822 30.186 23 HA SER 6 HA SER 6 -7.376 50.786 27.541 24 HB2 SER 6 1HB SER 6 -4.671 51.942 28.254 25 HB3 SER 6 2HB SER 6 -5.254 51.716 26.605 26 HG SER 6 HG SER 6 -6.692 53.299 26.873 27 H GLY 7 H GLY 7 -6.432 49.379 25.976 28 HA2 GLY 7 1HA GLY 7 -4.300 47.799 25.953 29 HA3 GLY 7 2HA GLY 7 -5.248 47.016 27.208 30 H MET 8 H MET 8 -4.400 46.472 24.249 31 HA MET 8 HA MET 8 -6.629 44.841 23.626 32 HB2 MET 8 1HB MET 8 -7.382 45.941 21.579 33 HB3 MET 8 2HB MET 8 -7.621 46.988 22.972 34 HG2 MET 8 1HG MET 8 -5.201 47.209 21.216 35 HG3 MET 8 2HG MET 8 -6.710 48.039 20.845 36 HE1 MET 8 1HE MET 8 -3.670 49.922 21.820 37 HE2 MET 8 2HE MET 8 -3.356 49.186 23.392 38 HE3 MET 8 3HE MET 8 -3.543 48.168 21.963 39 H THR 9 H THR 9 -6.274 43.516 21.767 40 HA THR 9 HA THR 9 -4.033 43.788 20.066 41 HB THR 9 HB THR 9 -2.792 43.246 22.134 42 HG1 THR 9 1HG THR 9 -1.689 42.509 20.425 43 HG21 THR 9 1HG2 THR 9 -4.886 41.428 22.550 44 HG22 THR 9 2HG2 THR 9 -3.450 41.654 23.549 45 HG23 THR 9 3HG2 THR 9 -3.450 40.447 22.263 46 H VAL 10 H VAL 10 -4.104 42.343 18.386 47 HA VAL 10 HA VAL 10 -5.708 39.937 18.580 48 HB VAL 10 HB VAL 10 -7.160 40.494 16.689 49 HG11 VAL 10 1HG1 VAL 10 -7.290 42.423 19.003 50 HG12 VAL 10 2HG1 VAL 10 -8.598 42.164 17.847 51 HG13 VAL 10 3HG1 VAL 10 -8.063 40.842 18.885 52 HG21 VAL 10 1HG2 VAL 10 -7.234 42.602 15.661 53 HG22 VAL 10 2HG2 VAL 10 -6.254 43.349 16.922 54 HG23 VAL 10 3HG2 VAL 10 -5.515 42.226 15.781 55 H SER 11 H SER 11 -5.677 38.710 16.483 56 HA SER 11 HA SER 11 -3.274 39.312 14.898 57 HB2 SER 11 1HB SER 11 -3.136 37.417 16.753 58 HB3 SER 11 2HB SER 11 -3.923 36.459 15.499 59 HG SER 11 HG SER 11 -1.969 37.784 14.334 60 H GLY 12 H GLY 12 -3.206 37.824 12.897 61 HA2 GLY 12 1HA GLY 12 -5.917 37.298 11.884 62 HA3 GLY 12 2HA GLY 12 -4.852 38.357 10.971 63 HA PRO 13 HA PRO 13 -3.284 33.738 10.799 64 HB2 PRO 13 1HB PRO 13 -5.336 31.960 10.792 65 HB3 PRO 13 2HB PRO 13 -4.494 32.450 12.267 66 HG2 PRO 13 1HG PRO 13 -7.105 33.416 11.166 67 HG3 PRO 13 2HG PRO 13 -6.676 33.014 12.839 68 HD2 PRO 13 1HD PRO 13 -6.774 35.564 11.933 69 HD3 PRO 13 2HD PRO 13 -5.638 35.041 13.193 70 H GLY 14 H GLY 14 -3.946 31.896 9.104 71 HA2 GLY 14 1HA GLY 14 -5.287 33.187 6.818 72 HA3 GLY 14 2HA GLY 14 -3.696 32.468 6.622 73 H THR 15 H THR 15 -5.365 31.475 4.932 74 HA THR 15 HA THR 15 -6.076 28.846 6.033 75 HB THR 15 HB THR 15 -8.070 28.823 4.484 76 HG1 THR 15 1HG THR 15 -8.509 30.562 3.351 77 HG21 THR 15 1HG2 THR 15 -7.794 30.411 6.965 78 HG22 THR 15 2HG2 THR 15 -8.839 29.036 6.609 79 HG23 THR 15 3HG2 THR 15 -9.278 30.647 6.043 80 HA PRO 16 HA PRO 16 -3.778 27.336 2.589 81 HB2 PRO 16 1HB PRO 16 -4.764 24.808 2.508 82 HB3 PRO 16 2HB PRO 16 -3.632 25.359 3.750 83 HG2 PRO 16 1HG PRO 16 -6.609 25.072 3.893 84 HG3 PRO 16 2HG PRO 16 -5.383 24.625 5.093 85 HD2 PRO 16 1HD PRO 16 -6.841 26.899 5.278 86 HD3 PRO 16 2HD PRO 16 -5.169 26.786 5.865 87 H GLU 17 H GLU 17 -4.384 25.704 0.632 88 HA GLU 17 HA GLU 17 -6.994 26.283 -0.489 89 HB2 GLU 17 1HB GLU 17 -4.449 27.457 -1.557 90 HB3 GLU 17 2HB GLU 17 -5.772 27.077 -2.650 91 HG2 GLU 17 1HG GLU 17 -7.251 28.508 -1.255 92 HG3 GLU 17 2HG GLU 17 -5.831 28.981 -0.324 93 HA PRO 18 HA PRO 18 -6.363 22.264 -2.171 94 HB2 PRO 18 1HB PRO 18 -8.252 22.316 -4.120 95 HB3 PRO 18 2HB PRO 18 -8.647 22.169 -2.403 96 HG2 PRO 18 1HG PRO 18 -8.700 24.594 -4.159 97 HG3 PRO 18 2HG PRO 18 -9.877 24.067 -2.942 98 HD2 PRO 18 1HD PRO 18 -8.039 25.994 -2.453 99 HD3 PRO 18 2HD PRO 18 -8.624 24.891 -1.191 100 H ARG 19 H ARG 19 -6.433 21.306 -4.597 101 HA ARG 19 HA ARG 19 -4.826 23.051 -6.329 102 HB2 ARG 19 1HB ARG 19 -4.169 20.171 -5.682 103 HB3 ARG 19 2HB ARG 19 -3.304 21.192 -6.823 104 HG2 ARG 19 1HG ARG 19 -3.567 22.118 -4.010 105 HG3 ARG 19 2HG ARG 19 -2.426 20.822 -4.377 106 HD2 ARG 19 1HD ARG 19 -2.472 23.400 -5.920 107 HD3 ARG 19 2HD ARG 19 -1.544 23.216 -4.432 108 HE ARG 19 HE ARG 19 -0.920 21.112 -6.195 109 HH11 ARG 19 2HH1 ARG 19 -0.453 24.540 -5.808 110 HH12 ARG 19 1HH1 ARG 19 1.044 24.567 -6.679 111 HH21 ARG 19 2HH2 ARG 19 1.050 21.134 -7.345 112 HH22 ARG 19 1HH2 ARG 19 1.897 22.629 -7.554 113 HA PRO 20 HA PRO 20 -7.646 21.651 -9.419 114 HB2 PRO 20 1HB PRO 20 -6.231 22.414 -11.607 115 HB3 PRO 20 2HB PRO 20 -7.086 23.560 -10.568 116 HG2 PRO 20 1HG PRO 20 -4.180 22.841 -10.608 117 HG3 PRO 20 2HG PRO 20 -4.935 24.439 -10.458 118 HD2 PRO 20 1HD PRO 20 -3.964 23.082 -8.326 119 HD3 PRO 20 2HD PRO 20 -5.366 24.164 -8.211 120 H ALA 21 H ALA 21 -7.988 19.772 -10.457 121 HA ALA 21 HA ALA 21 -5.648 18.159 -11.234 122 HB1 ALA 21 1HB ALA 21 -6.212 16.571 -9.795 123 HB2 ALA 21 2HB ALA 21 -7.564 17.553 -9.230 124 HB3 ALA 21 3HB ALA 21 -7.792 16.425 -10.566 125 H THR 22 H THR 22 -6.183 16.450 -12.835 126 HA THR 22 HA THR 22 -8.572 16.507 -14.339 127 HB THR 22 HB THR 22 -7.699 18.718 -15.040 128 HG1 THR 22 1HG THR 22 -8.894 17.898 -16.639 129 HG21 THR 22 1HG2 THR 22 -5.707 18.855 -16.435 130 HG22 THR 22 2HG2 THR 22 -5.430 17.124 -16.239 131 HG23 THR 22 3HG2 THR 22 -5.299 18.201 -14.849 132 HA PRO 23 HA PRO 23 -6.772 12.679 -15.582 133 HB2 PRO 23 1HB PRO 23 -8.470 12.072 -17.612 134 HB3 PRO 23 2HB PRO 23 -8.927 11.951 -15.909 135 HG2 PRO 23 1HG PRO 23 -9.505 14.133 -17.876 136 HG3 PRO 23 2HG PRO 23 -10.580 13.399 -16.671 137 HD2 PRO 23 1HD PRO 23 -9.359 15.783 -16.274 138 HD3 PRO 23 2HD PRO 23 -9.713 14.659 -14.946 139 H GLY 24 H GLY 24 -6.411 11.558 -17.911 140 HA2 GLY 24 1HA GLY 24 -5.865 12.359 -20.266 141 HA3 GLY 24 2HA GLY 24 -4.839 13.527 -19.446 142 H ALA 25 H ALA 25 -4.435 11.098 -21.311 143 HA ALA 25 HA ALA 25 -2.778 9.342 -19.732 144 HB1 ALA 25 1HB ALA 25 -3.558 8.046 -21.391 145 HB2 ALA 25 2HB ALA 25 -3.799 9.410 -22.483 146 HB3 ALA 25 3HB ALA 25 -2.196 8.698 -22.302 147 H SER 26 H SER 26 -0.786 9.852 -19.135 148 HA SER 26 HA SER 26 0.931 11.309 -21.020 149 HB2 SER 26 1HB SER 26 -0.114 12.643 -18.953 150 HB3 SER 26 2HB SER 26 1.256 11.909 -18.120 151 HG SER 26 HG SER 26 2.618 13.069 -19.293 152 H SER 27 H SER 27 1.310 10.074 -17.703 153 HA SER 27 HA SER 27 2.815 7.795 -18.430 154 HB2 SER 27 1HB SER 27 4.389 9.775 -18.977 155 HB3 SER 27 2HB SER 27 4.549 9.942 -17.229 156 HG SER 27 HG SER 27 5.764 8.208 -18.857 157 H VAL 28 H VAL 28 4.334 7.263 -16.323 158 HA VAL 28 HA VAL 28 2.612 6.534 -14.303 159 HB VAL 28 HB VAL 28 4.769 5.506 -14.435 160 HG11 VAL 28 1HG1 VAL 28 5.724 8.026 -14.958 161 HG12 VAL 28 2HG1 VAL 28 6.367 7.690 -13.349 162 HG13 VAL 28 3HG1 VAL 28 6.708 6.589 -14.685 163 HG21 VAL 28 1HG2 VAL 28 4.583 5.109 -12.259 164 HG22 VAL 28 2HG2 VAL 28 5.510 6.574 -11.934 165 HG23 VAL 28 3HG2 VAL 28 3.750 6.645 -12.018 166 H GLU 29 H GLU 29 4.492 9.502 -14.618 167 HA GLU 29 HA GLU 29 4.049 10.532 -12.047 168 HB2 GLU 29 1HB GLU 29 5.717 11.443 -13.613 169 HB3 GLU 29 2HB GLU 29 4.422 12.042 -14.639 170 HG2 GLU 29 1HG GLU 29 3.675 13.519 -12.850 171 HG3 GLU 29 2HG GLU 29 4.961 12.912 -11.809 172 H GLN 30 H GLN 30 2.094 10.601 -14.960 173 HA GLN 30 HA GLN 30 0.121 12.342 -13.714 174 HB2 GLN 30 1HB GLN 30 0.533 12.817 -16.013 175 HB3 GLN 30 2HB GLN 30 0.352 11.127 -16.464 176 HG2 GLN 30 1HG GLN 30 -1.652 11.967 -17.152 177 HG3 GLN 30 2HG GLN 30 -2.064 11.444 -15.520 178 HE21 GLN 30 1HE2 GLN 30 -0.682 14.294 -17.127 179 HE22 GLN 30 2HE2 GLN 30 -1.618 15.452 -16.252 180 H LEU 31 H LEU 31 -0.196 9.300 -15.544 181 HA LEU 31 HA LEU 31 -2.618 8.438 -14.856 182 HB2 LEU 31 1HB LEU 31 -1.973 6.322 -15.392 183 HB3 LEU 31 2HB LEU 31 -0.605 7.229 -16.036 184 HG LEU 31 HG LEU 31 0.486 6.724 -13.732 185 HD11 LEU 31 1HD1 LEU 31 -0.932 4.183 -13.673 186 HD12 LEU 31 2HD1 LEU 31 -1.957 5.557 -13.260 187 HD13 LEU 31 3HD1 LEU 31 -0.474 5.259 -12.353 188 HD21 LEU 31 1HD2 LEU 31 0.134 4.372 -15.564 189 HD22 LEU 31 2HD2 LEU 31 1.565 4.867 -14.660 190 HD23 LEU 31 3HD2 LEU 31 1.035 5.806 -16.056 191 H ARG 32 H ARG 32 0.129 8.546 -12.679 192 HA ARG 32 HA ARG 32 -0.464 7.019 -10.575 193 HB2 ARG 32 1HB ARG 32 1.226 9.037 -10.861 194 HB3 ARG 32 2HB ARG 32 0.009 9.892 -9.923 195 HG2 ARG 32 1HG ARG 32 0.391 8.656 -8.036 196 HG3 ARG 32 2HG ARG 32 0.978 7.258 -8.940 197 HD2 ARG 32 1HD ARG 32 2.950 8.033 -8.082 198 HD3 ARG 32 2HD ARG 32 2.907 8.922 -9.604 199 HE ARG 32 HE ARG 32 1.733 10.280 -7.332 200 HH11 ARG 32 2HH1 ARG 32 4.567 9.772 -9.289 201 HH12 ARG 32 1HH1 ARG 32 5.319 11.259 -8.817 202 HH21 ARG 32 2HH2 ARG 32 2.713 12.241 -6.702 203 HH22 ARG 32 1HH2 ARG 32 4.264 12.662 -7.345 204 H LYS 33 H LYS 33 -2.020 10.173 -11.135 205 HA LYS 33 HA LYS 33 -3.720 10.218 -8.958 206 HB2 LYS 33 1HB LYS 33 -4.253 11.234 -11.756 207 HB3 LYS 33 2HB LYS 33 -5.177 11.683 -10.329 208 HG2 LYS 33 1HG LYS 33 -2.218 12.128 -10.471 209 HG3 LYS 33 2HG LYS 33 -3.363 13.287 -11.151 210 HD2 LYS 33 1HD LYS 33 -4.156 13.913 -9.099 211 HD3 LYS 33 2HD LYS 33 -3.822 12.341 -8.370 212 HE2 LYS 33 1HE LYS 33 -1.370 12.911 -8.567 213 HE3 LYS 33 2HE LYS 33 -1.871 14.547 -8.992 214 HZ1 LYS 33 1HZ LYS 33 -1.501 14.611 -6.707 215 HZ2 LYS 33 2HZ LYS 33 -2.248 13.119 -6.433 216 HZ3 LYS 33 3HZ LYS 33 -3.182 14.472 -6.831 217 H GLU 34 H GLU 34 -4.349 8.847 -12.182 218 HA GLU 34 HA GLU 34 -6.912 8.034 -12.024 219 HB2 GLU 34 1HB GLU 34 -5.521 7.548 -13.957 220 HB3 GLU 34 2HB GLU 34 -4.586 6.385 -13.027 221 HG2 GLU 34 1HG GLU 34 -6.202 4.788 -13.127 222 HG3 GLU 34 2HG GLU 34 -7.514 5.962 -13.223 223 H GLY 35 H GLY 35 -4.174 6.477 -10.418 224 HA2 GLY 35 1HA GLY 35 -5.598 4.250 -9.411 225 HA3 GLY 35 2HA GLY 35 -4.080 4.871 -8.779 226 H ASN 36 H ASN 36 -4.424 7.080 -7.582 227 HA ASN 36 HA ASN 36 -5.855 6.559 -5.256 228 HB2 ASN 36 1HB ASN 36 -5.322 9.376 -6.151 229 HB3 ASN 36 2HB ASN 36 -5.224 8.691 -4.532 230 HD21 ASN 36 1HD2 ASN 36 -3.292 10.215 -6.202 231 HD22 ASN 36 2HD2 ASN 36 -1.859 9.249 -6.218 232 H GLU 37 H GLU 37 -6.706 8.806 -7.891 233 HA GLU 37 HA GLU 37 -9.077 9.798 -7.033 234 HB2 GLU 37 1HB GLU 37 -8.549 8.789 -9.833 235 HB3 GLU 37 2HB GLU 37 -9.776 9.961 -9.375 236 HG2 GLU 37 1HG GLU 37 -6.896 10.479 -8.776 237 HG3 GLU 37 2HG GLU 37 -7.547 10.779 -10.387 238 H LEU 38 H LEU 38 -8.571 6.610 -8.486 239 HA LEU 38 HA LEU 38 -11.337 5.885 -8.381 240 HB2 LEU 38 1HB LEU 38 -8.803 4.348 -8.866 241 HB3 LEU 38 2HB LEU 38 -10.375 3.556 -8.783 242 HG LEU 38 HG LEU 38 -9.878 5.795 -10.716 243 HD11 LEU 38 1HD1 LEU 38 -8.641 3.183 -10.734 244 HD12 LEU 38 2HD1 LEU 38 -8.371 4.567 -11.791 245 HD13 LEU 38 3HD1 LEU 38 -9.669 3.428 -12.146 246 HD21 LEU 38 1HD2 LEU 38 -11.562 3.548 -11.479 247 HD22 LEU 38 2HD2 LEU 38 -11.899 5.279 -11.509 248 HD23 LEU 38 3HD2 LEU 38 -12.122 4.362 -10.018 249 H PHE 39 H PHE 39 -8.572 5.525 -6.271 250 HA PHE 39 HA PHE 39 -9.691 3.576 -4.542 251 HB2 PHE 39 1HB PHE 39 -7.229 4.327 -4.772 252 HB3 PHE 39 2HB PHE 39 -7.670 5.628 -3.672 253 HD1 PHE 39 1HD PHE 39 -7.604 1.938 -4.010 254 HD2 PHE 39 2HD PHE 39 -7.734 5.272 -1.369 255 HE1 PHE 39 1HE PHE 39 -7.250 0.431 -2.097 256 HE2 PHE 39 2HE PHE 39 -7.379 3.772 0.549 257 HZ PHE 39 HZ PHE 39 -7.136 1.348 0.186 258 H LYS 40 H LYS 40 -9.370 7.110 -4.229 259 HA LYS 40 HA LYS 40 -10.825 7.293 -1.812 260 HB2 LYS 40 1HB LYS 40 -10.971 9.720 -2.358 261 HB3 LYS 40 2HB LYS 40 -9.337 9.075 -2.448 262 HG2 LYS 40 1HG LYS 40 -9.767 8.816 -4.952 263 HG3 LYS 40 2HG LYS 40 -11.164 9.863 -4.689 264 HD2 LYS 40 1HD LYS 40 -8.525 10.724 -3.615 265 HD3 LYS 40 2HD LYS 40 -8.804 10.849 -5.353 266 HE2 LYS 40 1HE LYS 40 -9.540 12.906 -4.648 267 HE3 LYS 40 2HE LYS 40 -11.042 11.984 -4.601 268 HZ1 LYS 40 1HZ LYS 40 -11.214 12.379 -2.444 269 HZ2 LYS 40 2HZ LYS 40 -9.842 13.365 -2.519 270 HZ3 LYS 40 3HZ LYS 40 -9.684 11.723 -2.142 271 H CYS 41 H CYS 41 -11.877 6.414 -4.813 272 HA CYS 41 HA CYS 41 -14.542 7.595 -4.459 273 HB2 CYS 41 1HB CYS 41 -13.370 7.876 -6.662 274 HB3 CYS 41 2HB CYS 41 -13.464 6.133 -6.875 275 HG CYS 41 HG CYS 41 -15.417 7.475 -8.440 276 H GLY 42 H GLY 42 -12.781 4.623 -4.362 277 HA2 GLY 42 1HA GLY 42 -13.885 2.882 -2.977 278 HA3 GLY 42 2HA GLY 42 -15.322 3.170 -3.947 279 H ASP 43 H ASP 43 -13.859 3.395 -6.450 280 HA ASP 43 HA ASP 43 -13.957 0.729 -7.289 281 HB2 ASP 43 1HB ASP 43 -14.116 2.819 -8.727 282 HB3 ASP 43 2HB ASP 43 -12.357 2.897 -8.650 283 H TYR 44 H TYR 44 -12.702 -0.620 -6.038 284 HA TYR 44 HA TYR 44 -9.903 -0.093 -5.611 285 HB2 TYR 44 1HB TYR 44 -11.421 -2.654 -5.089 286 HB3 TYR 44 2HB TYR 44 -9.875 -2.178 -4.396 287 HD1 TYR 44 1HD TYR 44 -10.257 0.507 -3.469 288 HD2 TYR 44 2HD TYR 44 -13.008 -2.738 -3.416 289 HE1 TYR 44 1HE TYR 44 -11.424 1.536 -1.565 290 HE2 TYR 44 2HE TYR 44 -14.184 -1.717 -1.512 291 HH TYR 44 HH TYR 44 -13.657 -0.114 0.330 292 H GLY 45 H GLY 45 -11.794 -2.453 -7.486 293 HA2 GLY 45 1HA GLY 45 -9.754 -3.947 -8.582 294 HA3 GLY 45 2HA GLY 45 -11.268 -3.602 -9.405 295 H GLY 46 H GLY 46 -10.907 -0.769 -9.603 296 HA2 GLY 46 1HA GLY 46 -9.204 -0.737 -11.937 297 HA3 GLY 46 2HA GLY 46 -10.200 0.587 -11.350 298 H ALA 47 H ALA 47 -9.322 1.197 -8.941 299 HA ALA 47 HA ALA 47 -7.211 2.822 -9.163 300 HB1 ALA 47 1HB ALA 47 -7.182 1.297 -6.634 301 HB2 ALA 47 2HB ALA 47 -7.252 3.038 -6.913 302 HB3 ALA 47 3HB ALA 47 -8.710 2.060 -7.076 303 H LEU 48 H LEU 48 -6.923 -0.602 -8.228 304 HA LEU 48 HA LEU 48 -4.169 -0.720 -7.924 305 HB2 LEU 48 1HB LEU 48 -5.845 -2.506 -7.381 306 HB3 LEU 48 2HB LEU 48 -5.880 -2.903 -9.098 307 HG LEU 48 HG LEU 48 -4.419 -4.307 -7.475 308 HD11 LEU 48 1HD1 LEU 48 -4.010 -3.426 -10.229 309 HD12 LEU 48 2HD1 LEU 48 -4.016 -5.051 -9.544 310 HD13 LEU 48 3HD1 LEU 48 -2.557 -4.064 -9.458 311 HD21 LEU 48 1HD2 LEU 48 -3.338 -2.166 -6.586 312 HD22 LEU 48 2HD2 LEU 48 -2.414 -2.159 -8.089 313 HD23 LEU 48 3HD2 LEU 48 -2.275 -3.519 -6.973 314 H ALA 49 H ALA 49 -6.047 -1.534 -10.846 315 HA ALA 49 HA ALA 49 -4.166 -2.202 -12.635 316 HB1 ALA 49 1HB ALA 49 -6.506 -0.355 -13.024 317 HB2 ALA 49 2HB ALA 49 -5.506 -0.922 -14.363 318 HB3 ALA 49 3HB ALA 49 -6.400 -2.080 -13.378 319 H ALA 50 H ALA 50 -5.048 1.208 -12.044 320 HA ALA 50 HA ALA 50 -3.178 2.446 -13.620 321 HB1 ALA 50 1HB ALA 50 -3.265 4.054 -11.366 322 HB2 ALA 50 2HB ALA 50 -4.345 4.134 -12.758 323 HB3 ALA 50 3HB ALA 50 -4.802 3.189 -11.340 324 H TYR 51 H TYR 51 -2.757 1.630 -10.171 325 HA TYR 51 HA TYR 51 -0.163 2.471 -9.826 326 HB2 TYR 51 1HB TYR 51 -1.559 0.071 -8.634 327 HB3 TYR 51 2HB TYR 51 -0.001 0.669 -8.076 328 HD1 TYR 51 1HD TYR 51 -0.455 3.596 -8.197 329 HD2 TYR 51 2HD TYR 51 -2.986 0.463 -6.826 330 HE1 TYR 51 1HE TYR 51 -1.596 5.180 -6.700 331 HE2 TYR 51 2HE TYR 51 -4.134 2.038 -5.327 332 HH TYR 51 HH TYR 51 -2.934 4.986 -4.490 333 H THR 52 H THR 52 -1.268 -0.682 -11.027 334 HA THR 52 HA THR 52 1.125 -2.010 -11.262 335 HB THR 52 HB THR 52 -1.193 -2.085 -13.203 336 HG1 THR 52 1HG THR 52 -0.867 -2.985 -10.675 337 HG21 THR 52 1HG2 THR 52 0.514 -3.135 -14.380 338 HG22 THR 52 2HG2 THR 52 -0.236 -4.480 -13.520 339 HG23 THR 52 3HG2 THR 52 1.264 -3.775 -12.918 340 H GLN 53 H GLN 53 -0.381 0.055 -13.750 341 HA GLN 53 HA GLN 53 1.642 -0.117 -15.651 342 HB2 GLN 53 1HB GLN 53 0.059 2.399 -15.186 343 HB3 GLN 53 2HB GLN 53 0.654 1.746 -16.707 344 HG2 GLN 53 1HG GLN 53 -0.931 -0.248 -16.128 345 HG3 GLN 53 2HG GLN 53 -1.718 0.945 -15.098 346 HE21 GLN 53 1HE2 GLN 53 -1.970 3.143 -16.315 347 HE22 GLN 53 2HE2 GLN 53 -2.678 3.015 -17.885 348 H ALA 54 H ALA 54 1.133 2.518 -13.298 349 HA ALA 54 HA ALA 54 3.231 4.130 -13.713 350 HB1 ALA 54 1HB ALA 54 1.538 3.626 -11.552 351 HB2 ALA 54 2HB ALA 54 3.173 3.562 -10.891 352 HB3 ALA 54 3HB ALA 54 2.629 4.997 -11.759 353 H LEU 55 H LEU 55 3.466 1.191 -11.703 354 HA LEU 55 HA LEU 55 6.232 1.338 -11.268 355 HB2 LEU 55 1HB LEU 55 4.333 -0.996 -11.280 356 HB3 LEU 55 2HB LEU 55 6.027 -1.134 -10.812 357 HG LEU 55 HG LEU 55 4.122 0.732 -9.420 358 HD11 LEU 55 1HD1 LEU 55 3.370 -1.694 -9.395 359 HD12 LEU 55 2HD1 LEU 55 3.611 -0.919 -7.829 360 HD13 LEU 55 3HD1 LEU 55 4.830 -2.025 -8.462 361 HD21 LEU 55 1HD2 LEU 55 5.755 0.638 -7.643 362 HD22 LEU 55 2HD2 LEU 55 6.547 1.106 -9.148 363 HD23 LEU 55 3HD2 LEU 55 6.710 -0.542 -8.540 364 H GLY 56 H GLY 56 4.359 -0.364 -13.757 365 HA2 GLY 56 1HA GLY 56 6.320 -1.801 -15.025 366 HA3 GLY 56 2HA GLY 56 4.975 -1.046 -15.867 367 H LEU 57 H LEU 57 5.603 1.644 -15.462 368 HA LEU 57 HA LEU 57 7.583 2.007 -17.489 369 HB2 LEU 57 1HB LEU 57 6.273 4.086 -15.745 370 HB3 LEU 57 2HB LEU 57 7.115 4.367 -17.268 371 HG LEU 57 HG LEU 57 4.572 2.765 -17.021 372 HD11 LEU 57 1HD1 LEU 57 5.038 5.659 -17.153 373 HD12 LEU 57 2HD1 LEU 57 3.622 4.756 -16.616 374 HD13 LEU 57 3HD1 LEU 57 3.889 5.034 -18.337 375 HD21 LEU 57 1HD2 LEU 57 4.735 2.377 -19.214 376 HD22 LEU 57 2HD2 LEU 57 6.431 2.829 -19.042 377 HD23 LEU 57 3HD2 LEU 57 5.246 4.030 -19.558 378 H ASP 58 H ASP 58 9.579 3.060 -17.332 379 HA ASP 58 HA ASP 58 11.043 2.507 -14.947 380 HB2 ASP 58 1HB ASP 58 11.991 4.226 -17.238 381 HB3 ASP 58 2HB ASP 58 12.963 3.262 -16.129 382 H ALA 59 H ALA 59 9.859 3.761 -13.397 383 HA ALA 59 HA ALA 59 10.152 6.668 -13.605 384 HB1 ALA 59 1HB ALA 59 8.626 5.068 -11.555 385 HB2 ALA 59 2HB ALA 59 8.566 6.815 -11.795 386 HB3 ALA 59 3HB ALA 59 7.935 5.733 -13.036 387 H THR 60 H THR 60 10.693 7.808 -11.506 388 HA THR 60 HA THR 60 13.278 7.237 -10.713 389 HB THR 60 HB THR 60 12.688 8.667 -8.643 390 HG1 THR 60 1HG THR 60 10.680 9.367 -8.481 391 HG21 THR 60 1HG2 THR 60 12.404 10.723 -10.140 392 HG22 THR 60 2HG2 THR 60 12.449 9.593 -11.494 393 HG23 THR 60 3HG2 THR 60 13.831 9.722 -10.406 394 HA PRO 61 HA PRO 61 13.111 4.026 -7.725 395 HB2 PRO 61 1HB PRO 61 15.063 4.789 -5.999 396 HB3 PRO 61 2HB PRO 61 15.402 4.161 -7.617 397 HG2 PRO 61 1HG PRO 61 15.320 6.998 -6.664 398 HG3 PRO 61 2HG PRO 61 16.489 6.213 -7.741 399 HD2 PRO 61 1HD PRO 61 14.478 7.774 -8.664 400 HD3 PRO 61 2HD PRO 61 15.104 6.386 -9.576 401 H GLN 62 H GLN 62 12.280 7.209 -6.940 402 HA GLN 62 HA GLN 62 11.619 6.589 -4.165 403 HB2 GLN 62 1HB GLN 62 12.683 8.791 -4.925 404 HB3 GLN 62 2HB GLN 62 11.103 9.196 -5.583 405 HG2 GLN 62 1HG GLN 62 10.122 8.961 -3.353 406 HG3 GLN 62 2HG GLN 62 11.715 8.582 -2.701 407 HE21 GLN 62 1HE2 GLN 62 10.665 10.550 -1.452 408 HE22 GLN 62 2HE2 GLN 62 11.251 12.092 -1.965 409 H ASP 63 H ASP 63 10.043 7.520 -7.195 410 HA ASP 63 HA ASP 63 7.419 7.689 -6.247 411 HB2 ASP 63 1HB ASP 63 8.619 7.116 -8.936 412 HB3 ASP 63 2HB ASP 63 6.877 6.997 -8.707 413 H GLN 64 H GLN 64 9.232 4.919 -7.508 414 HA GLN 64 HA GLN 64 7.278 3.009 -7.659 415 HB2 GLN 64 1HB GLN 64 10.172 2.890 -6.916 416 HB3 GLN 64 2HB GLN 64 9.194 1.435 -6.781 417 HG2 GLN 64 1HG GLN 64 8.908 1.247 -9.039 418 HG3 GLN 64 2HG GLN 64 9.099 2.977 -9.319 419 HE21 GLN 64 1HE2 GLN 64 10.511 2.294 -11.053 420 HE22 GLN 64 2HE2 GLN 64 12.160 1.914 -10.705 421 H ALA 65 H ALA 65 9.231 3.720 -4.761 422 HA ALA 65 HA ALA 65 8.079 1.981 -2.980 423 HB1 ALA 65 1HB ALA 65 9.778 3.024 -1.936 424 HB2 ALA 65 2HB ALA 65 9.481 4.558 -2.756 425 HB3 ALA 65 3HB ALA 65 8.502 4.100 -1.362 426 H VAL 66 H VAL 66 6.987 5.285 -3.728 427 HA VAL 66 HA VAL 66 4.814 5.374 -1.981 428 HB VAL 66 HB VAL 66 5.124 6.721 -4.667 429 HG11 VAL 66 1HG1 VAL 66 3.525 8.371 -3.292 430 HG12 VAL 66 2HG1 VAL 66 2.914 7.100 -4.353 431 HG13 VAL 66 3HG1 VAL 66 3.003 6.830 -2.612 432 HG21 VAL 66 1HG2 VAL 66 6.817 7.681 -3.507 433 HG22 VAL 66 2HG2 VAL 66 5.503 8.667 -2.867 434 HG23 VAL 66 3HG2 VAL 66 6.108 7.296 -1.938 435 H LEU 67 H LEU 67 5.054 4.135 -5.279 436 HA LEU 67 HA LEU 67 2.276 3.619 -5.594 437 HB2 LEU 67 1HB LEU 67 4.535 2.232 -7.016 438 HB3 LEU 67 2HB LEU 67 2.876 2.434 -7.573 439 HG LEU 67 HG LEU 67 4.544 4.862 -7.105 440 HD11 LEU 67 1HD1 LEU 67 5.287 2.756 -8.890 441 HD12 LEU 67 2HD1 LEU 67 6.070 4.312 -8.614 442 HD13 LEU 67 3HD1 LEU 67 4.791 4.170 -9.820 443 HD21 LEU 67 1HD2 LEU 67 2.309 4.081 -8.964 444 HD22 LEU 67 2HD2 LEU 67 3.208 5.591 -9.113 445 HD23 LEU 67 3HD2 LEU 67 2.272 5.262 -7.654 446 H HIS 68 H HIS 68 5.033 1.640 -4.591 447 HA HIS 68 HA HIS 68 3.730 -0.828 -4.447 448 HB2 HIS 68 1HB HIS 68 6.159 0.345 -3.169 449 HB3 HIS 68 2HB HIS 68 5.533 -1.173 -2.532 450 HD1 HIS 68 1HD HIS 68 4.773 -2.635 -5.079 451 HD2 HIS 68 2HD HIS 68 8.274 -0.437 -4.670 452 HE1 HIS 68 1HE HIS 68 6.355 -3.566 -6.797 453 HE2 HIS 68 2HE HIS 68 8.495 -2.278 -6.474 454 H ARG 69 H ARG 69 4.198 1.647 -1.937 455 HA ARG 69 HA ARG 69 2.850 0.267 0.114 456 HB2 ARG 69 1HB ARG 69 2.741 2.441 1.248 457 HB3 ARG 69 2HB ARG 69 4.337 2.148 0.571 458 HG2 ARG 69 1HG ARG 69 3.924 3.650 -1.238 459 HG3 ARG 69 2HG ARG 69 2.229 3.817 -0.777 460 HD2 ARG 69 1HD ARG 69 3.024 4.758 1.412 461 HD3 ARG 69 2HD ARG 69 4.650 4.780 0.733 462 HE ARG 69 HE ARG 69 4.058 6.582 -0.577 463 HH11 ARG 69 2HH1 ARG 69 1.233 5.233 0.945 464 HH12 ARG 69 1HH1 ARG 69 0.205 6.558 0.510 465 HH21 ARG 69 2HH2 ARG 69 2.716 8.333 -1.156 466 HH22 ARG 69 1HH2 ARG 69 1.050 8.320 -0.686 467 H ASN 70 H ASN 70 1.733 2.459 -2.401 468 HA ASN 70 HA ASN 70 -0.899 2.789 -1.387 469 HB2 ASN 70 1HB ASN 70 0.363 3.231 -4.085 470 HB3 ASN 70 2HB ASN 70 -1.366 3.457 -3.836 471 HD21 ASN 70 1HD2 ASN 70 -1.659 4.685 -1.552 472 HD22 ASN 70 2HD2 ASN 70 -0.804 6.185 -1.498 473 H ARG 71 H ARG 71 0.511 0.628 -3.822 474 HA ARG 71 HA ARG 71 -1.745 -0.610 -4.783 475 HB2 ARG 71 1HB ARG 71 1.073 -1.484 -4.373 476 HB3 ARG 71 2HB ARG 71 -0.115 -2.717 -4.771 477 HG2 ARG 71 1HG ARG 71 -0.750 -1.347 -6.762 478 HG3 ARG 71 2HG ARG 71 0.616 -0.293 -6.393 479 HD2 ARG 71 1HD ARG 71 1.268 -1.902 -8.070 480 HD3 ARG 71 2HD ARG 71 2.122 -2.240 -6.565 481 HE ARG 71 HE ARG 71 -0.219 -3.779 -6.637 482 HH11 ARG 71 2HH1 ARG 71 2.859 -3.525 -8.244 483 HH12 ARG 71 1HH1 ARG 71 2.935 -5.209 -8.647 484 HH21 ARG 71 2HH2 ARG 71 -0.131 -5.998 -7.161 485 HH22 ARG 71 1HH2 ARG 71 1.233 -6.614 -8.031 486 H ALA 72 H ALA 72 0.152 -1.590 -1.931 487 HA ALA 72 HA ALA 72 -1.147 -3.805 -1.086 488 HB1 ALA 72 1HB ALA 72 -0.331 -3.410 1.045 489 HB2 ALA 72 2HB ALA 72 0.743 -2.438 0.037 490 HB3 ALA 72 3HB ALA 72 -0.571 -1.666 0.925 491 H ALA 73 H ALA 73 -2.285 -0.478 -0.704 492 HA ALA 73 HA ALA 73 -4.459 -0.861 0.949 493 HB1 ALA 73 1HB ALA 73 -4.971 1.267 0.462 494 HB2 ALA 73 2HB ALA 73 -3.453 1.250 -0.436 495 HB3 ALA 73 3HB ALA 73 -4.978 0.974 -1.277 496 H CYS 74 H CYS 74 -4.545 -0.858 -2.622 497 HA CYS 74 HA CYS 74 -7.149 -1.527 -3.053 498 HB2 CYS 74 1HB CYS 74 -4.688 -2.453 -4.537 499 HB3 CYS 74 2HB CYS 74 -6.324 -2.742 -5.117 500 HG CYS 74 HG CYS 74 -4.444 -0.113 -5.544 501 H HIS 75 H HIS 75 -4.494 -3.858 -2.592 502 HA HIS 75 HA HIS 75 -6.031 -6.182 -2.702 503 HB2 HIS 75 1HB HIS 75 -3.376 -5.463 -1.564 504 HB3 HIS 75 2HB HIS 75 -4.094 -6.986 -1.048 505 HD1 HIS 75 1HD HIS 75 -5.316 -7.935 -3.691 506 HD2 HIS 75 2HD HIS 75 -1.510 -6.303 -3.352 507 HE1 HIS 75 1HE HIS 75 -4.038 -8.788 -5.683 508 HE2 HIS 75 2HE HIS 75 -1.714 -7.856 -5.410 509 H LEU 76 H LEU 76 -4.932 -4.405 0.189 510 HA LEU 76 HA LEU 76 -6.012 -5.841 2.201 511 HB2 LEU 76 1HB LEU 76 -5.952 -2.863 1.818 512 HB3 LEU 76 2HB LEU 76 -6.533 -3.599 3.310 513 HG LEU 76 HG LEU 76 -3.777 -4.112 2.216 514 HD11 LEU 76 1HD1 LEU 76 -2.976 -2.206 3.061 515 HD12 LEU 76 2HD1 LEU 76 -3.992 -2.307 4.498 516 HD13 LEU 76 3HD1 LEU 76 -4.645 -1.639 3.003 517 HD21 LEU 76 1HD2 LEU 76 -5.246 -4.712 4.741 518 HD22 LEU 76 2HD2 LEU 76 -3.501 -4.460 4.796 519 HD23 LEU 76 3HD2 LEU 76 -4.176 -5.740 3.787 520 H LYS 77 H LYS 77 -7.800 -3.491 0.223 521 HA LYS 77 HA LYS 77 -10.293 -3.913 1.511 522 HB2 LYS 77 1HB LYS 77 -9.755 -2.860 -1.273 523 HB3 LYS 77 2HB LYS 77 -11.254 -2.682 -0.370 524 HG2 LYS 77 1HG LYS 77 -8.604 -1.561 0.513 525 HG3 LYS 77 2HG LYS 77 -9.825 -0.654 -0.383 526 HD2 LYS 77 1HD LYS 77 -11.424 -1.341 1.512 527 HD3 LYS 77 2HD LYS 77 -9.959 -1.744 2.411 528 HE2 LYS 77 1HE LYS 77 -9.145 0.563 2.027 529 HE3 LYS 77 2HE LYS 77 -10.676 0.942 1.241 530 HZ1 LYS 77 1HZ LYS 77 -10.399 1.525 3.699 531 HZ2 LYS 77 2HZ LYS 77 -10.608 -0.128 3.990 532 HZ3 LYS 77 3HZ LYS 77 -11.831 0.757 3.227 533 H LEU 78 H LEU 78 -8.770 -5.302 -1.356 534 HA LEU 78 HA LEU 78 -11.087 -6.913 -1.982 535 HB2 LEU 78 1HB LEU 78 -8.297 -6.947 -3.123 536 HB3 LEU 78 2HB LEU 78 -9.673 -7.844 -3.761 537 HG LEU 78 HG LEU 78 -9.815 -4.865 -3.556 538 HD11 LEU 78 1HD1 LEU 78 -8.192 -4.529 -5.024 539 HD12 LEU 78 2HD1 LEU 78 -9.011 -5.586 -6.173 540 HD13 LEU 78 3HD1 LEU 78 -7.833 -6.255 -5.044 541 HD21 LEU 78 1HD2 LEU 78 -11.821 -6.136 -4.131 542 HD22 LEU 78 2HD2 LEU 78 -10.967 -6.882 -5.482 543 HD23 LEU 78 3HD2 LEU 78 -11.280 -5.145 -5.487 544 H GLU 79 H GLU 79 -10.182 -7.375 0.620 545 HA GLU 79 HA GLU 79 -9.414 -8.986 2.060 546 HB2 GLU 79 1HB GLU 79 -11.016 -10.356 -0.044 547 HB3 GLU 79 2HB GLU 79 -10.143 -11.362 1.104 548 HG2 GLU 79 1HG GLU 79 -12.327 -11.078 1.955 549 HG3 GLU 79 2HG GLU 79 -11.260 -10.080 2.940 550 H ASP 80 H ASP 80 -7.307 -8.119 0.587 551 HA ASP 80 HA ASP 80 -5.803 -10.604 0.096 552 HB2 ASP 80 1HB ASP 80 -5.990 -8.129 -1.554 553 HB3 ASP 80 2HB ASP 80 -4.431 -8.943 -1.468 554 H TYR 81 H TYR 81 -5.793 -9.676 2.589 555 HA TYR 81 HA TYR 81 -3.916 -7.675 3.207 556 HB2 TYR 81 1HB TYR 81 -4.636 -10.064 4.913 557 HB3 TYR 81 2HB TYR 81 -3.987 -8.524 5.467 558 HD1 TYR 81 2HD TYR 81 -5.405 -6.549 5.591 559 HD2 TYR 81 1HD TYR 81 -6.970 -10.285 4.290 560 HE1 TYR 81 2HE TYR 81 -7.690 -5.692 5.899 561 HE2 TYR 81 1HE TYR 81 -9.259 -9.439 4.593 562 HH TYR 81 HH TYR 81 -10.087 -6.394 4.750 563 H ASP 82 H ASP 82 -3.592 -11.188 2.895 564 HA ASP 82 HA ASP 82 -1.082 -11.676 3.780 565 HB2 ASP 82 1HB ASP 82 -2.109 -12.708 1.130 566 HB3 ASP 82 2HB ASP 82 -0.923 -13.478 2.181 567 H LYS 83 H LYS 83 -1.743 -10.742 0.398 568 HA LYS 83 HA LYS 83 0.939 -10.305 -0.297 569 HB2 LYS 83 1HB LYS 83 -1.563 -9.089 -1.482 570 HB3 LYS 83 2HB LYS 83 0.028 -9.060 -2.231 571 HG2 LYS 83 1HG LYS 83 -0.158 -11.670 -1.935 572 HG3 LYS 83 2HG LYS 83 -1.886 -11.310 -1.921 573 HD2 LYS 83 1HD LYS 83 -1.285 -11.771 -4.177 574 HD3 LYS 83 2HD LYS 83 -1.533 -10.028 -4.054 575 HE2 LYS 83 1HE LYS 83 0.770 -9.586 -4.117 576 HE3 LYS 83 2HE LYS 83 1.188 -11.260 -3.752 577 HZ1 LYS 83 1HZ LYS 83 0.076 -10.197 -6.288 578 HZ2 LYS 83 2HZ LYS 83 0.203 -11.849 -5.948 579 HZ3 LYS 83 3HZ LYS 83 1.598 -10.896 -6.045 580 H ALA 84 H ALA 84 -1.595 -7.943 0.545 581 HA ALA 84 HA ALA 84 -0.397 -5.570 0.362 582 HB1 ALA 84 1HB ALA 84 -1.442 -5.193 2.808 583 HB2 ALA 84 2HB ALA 84 -2.412 -5.277 1.336 584 HB3 ALA 84 3HB ALA 84 -2.244 -6.700 2.364 585 H GLU 85 H GLU 85 0.134 -7.752 3.130 586 HA GLU 85 HA GLU 85 1.871 -6.291 4.635 587 HB2 GLU 85 1HB GLU 85 1.038 -8.596 5.148 588 HB3 GLU 85 2HB GLU 85 2.237 -9.228 4.028 589 HG2 GLU 85 1HG GLU 85 3.868 -7.809 5.556 590 HG3 GLU 85 2HG GLU 85 2.585 -8.078 6.735 591 H THR 86 H THR 86 2.724 -8.291 1.826 592 HA THR 86 HA THR 86 5.493 -7.790 1.900 593 HB THR 86 HB THR 86 3.881 -8.371 -0.587 594 HG1 THR 86 1HG THR 86 4.527 -9.963 1.614 595 HG21 THR 86 1HG2 THR 86 6.172 -7.800 -1.065 596 HG22 THR 86 2HG2 THR 86 5.975 -9.542 -1.260 597 HG23 THR 86 3HG2 THR 86 6.751 -8.897 0.187 598 H GLU 87 H GLU 87 3.040 -6.407 -0.298 599 HA GLU 87 HA GLU 87 4.520 -4.573 -1.639 600 HB2 GLU 87 1HB GLU 87 1.715 -4.342 -0.562 601 HB3 GLU 87 2HB GLU 87 2.426 -3.103 -1.588 602 HG2 GLU 87 1HG GLU 87 2.366 -4.406 -3.450 603 HG3 GLU 87 2HG GLU 87 2.526 -5.908 -2.541 604 H ALA 88 H ALA 88 3.544 -4.419 1.706 605 HA ALA 88 HA ALA 88 4.304 -1.663 2.054 606 HB1 ALA 88 1HB ALA 88 3.320 -1.812 4.068 607 HB2 ALA 88 2HB ALA 88 2.660 -3.319 3.432 608 HB3 ALA 88 3HB ALA 88 4.099 -3.348 4.450 609 H SER 89 H SER 89 5.652 -4.811 3.016 610 HA SER 89 HA SER 89 7.929 -3.808 4.320 611 HB2 SER 89 1HB SER 89 6.950 -6.206 4.319 612 HB3 SER 89 2HB SER 89 7.915 -6.441 2.862 613 HG SER 89 HG SER 89 8.845 -5.718 5.443 614 H LYS 90 H LYS 90 7.181 -4.221 0.969 615 HA LYS 90 HA LYS 90 9.945 -3.991 0.116 616 HB2 LYS 90 1HB LYS 90 9.142 -4.307 -2.098 617 HB3 LYS 90 2HB LYS 90 8.225 -5.407 -1.076 618 HG2 LYS 90 1HG LYS 90 6.328 -3.918 -1.104 619 HG3 LYS 90 2HG LYS 90 7.246 -2.720 -2.020 620 HD2 LYS 90 1HD LYS 90 5.764 -3.975 -3.489 621 HD3 LYS 90 2HD LYS 90 7.453 -4.310 -3.876 622 HE2 LYS 90 1HE LYS 90 7.368 -6.430 -2.834 623 HE3 LYS 90 2HE LYS 90 5.831 -6.066 -2.051 624 HZ1 LYS 90 1HZ LYS 90 4.675 -6.310 -4.029 625 HZ2 LYS 90 2HZ LYS 90 5.819 -7.553 -4.113 626 HZ3 LYS 90 3HZ LYS 90 6.053 -6.127 -4.993 627 H ALA 91 H ALA 91 7.054 -2.006 0.316 628 HA ALA 91 HA ALA 91 8.053 0.187 -1.184 629 HB1 ALA 91 1HB ALA 91 5.746 0.180 -1.001 630 HB2 ALA 91 2HB ALA 91 5.781 -0.183 0.725 631 HB3 ALA 91 3HB ALA 91 6.212 1.429 0.154 632 H ILE 92 H ILE 92 8.325 -0.786 2.158 633 HA ILE 92 HA ILE 92 9.277 1.736 3.120 634 HB ILE 92 HB ILE 92 9.423 -1.028 4.322 635 HG12 ILE 92 1HG1 ILE 92 7.707 1.337 5.095 636 HG13 ILE 92 2HG1 ILE 92 7.162 0.044 4.031 637 HG21 ILE 92 1HG2 ILE 92 9.939 0.208 6.445 638 HG22 ILE 92 2HG2 ILE 92 11.233 0.202 5.248 639 HG23 ILE 92 3HG2 ILE 92 10.233 1.639 5.457 640 HD11 ILE 92 1HD1 ILE 92 7.735 -1.536 5.942 641 HD12 ILE 92 2HD1 ILE 92 7.827 -0.090 6.947 642 HD13 ILE 92 3HD1 ILE 92 6.318 -0.504 6.133 643 H GLU 93 H GLU 93 10.941 -1.412 2.841 644 HA GLU 93 HA GLU 93 13.514 -0.596 3.267 645 HB2 GLU 93 1HB GLU 93 14.243 -2.530 1.971 646 HB3 GLU 93 2HB GLU 93 12.861 -2.943 2.975 647 HG2 GLU 93 1HG GLU 93 11.425 -3.096 1.167 648 HG3 GLU 93 2HG GLU 93 12.467 -2.124 0.130 649 H LYS 94 H LYS 94 11.582 -0.160 0.391 650 HA LYS 94 HA LYS 94 13.509 0.423 -1.503 651 HB2 LYS 94 1HB LYS 94 10.690 1.302 -1.073 652 HB3 LYS 94 2HB LYS 94 11.642 2.129 -2.298 653 HG2 LYS 94 1HG LYS 94 11.586 -0.844 -2.309 654 HG3 LYS 94 2HG LYS 94 10.173 0.039 -2.891 655 HD2 LYS 94 1HD LYS 94 11.817 1.357 -4.340 656 HD3 LYS 94 2HD LYS 94 12.986 0.092 -3.949 657 HE2 LYS 94 1HE LYS 94 10.288 -0.666 -4.979 658 HE3 LYS 94 2HE LYS 94 11.508 -0.075 -6.106 659 HZ1 LYS 94 1HZ LYS 94 13.008 -1.817 -5.287 660 HZ2 LYS 94 2HZ LYS 94 11.602 -2.460 -5.975 661 HZ3 LYS 94 3HZ LYS 94 11.775 -2.412 -4.293 662 H ASP 95 H ASP 95 11.794 2.808 0.526 663 HA ASP 95 HA ASP 95 13.968 4.710 0.023 664 HB2 ASP 95 1HB ASP 95 11.106 4.994 0.865 665 HB3 ASP 95 2HB ASP 95 12.256 6.272 1.250 666 H GLY 96 H GLY 96 11.934 3.633 2.755 667 HA2 GLY 96 1HA GLY 96 12.762 2.933 4.854 668 HA3 GLY 96 2HA GLY 96 14.306 3.676 4.466 669 H GLY 97 H GLY 97 11.395 5.470 3.917 670 HA2 GLY 97 1HA GLY 97 11.433 6.767 6.502 671 HA3 GLY 97 2HA GLY 97 12.057 7.759 5.193 672 H ASP 98 H ASP 98 9.442 5.417 4.921 673 HA ASP 98 HA ASP 98 7.554 7.648 4.562 674 HB2 ASP 98 1HB ASP 98 8.068 5.284 2.796 675 HB3 ASP 98 2HB ASP 98 6.445 5.966 2.875 676 H VAL 99 H VAL 99 6.990 7.241 6.793 677 HA VAL 99 HA VAL 99 6.131 4.865 7.895 678 HB VAL 99 HB VAL 99 4.935 6.123 9.528 679 HG11 VAL 99 1HG1 VAL 99 6.956 6.712 10.254 680 HG12 VAL 99 2HG1 VAL 99 7.546 6.969 8.611 681 HG13 VAL 99 3HG1 VAL 99 6.701 8.265 9.459 682 HG21 VAL 99 1HG2 VAL 99 4.859 8.277 7.435 683 HG22 VAL 99 2HG2 VAL 99 3.510 7.509 8.272 684 HG23 VAL 99 3HG2 VAL 99 4.572 8.617 9.142 685 H LYS 100 H LYS 100 4.366 7.099 5.822 686 HA LYS 100 HA LYS 100 1.785 6.428 6.009 687 HB2 LYS 100 1HB LYS 100 3.488 6.831 3.574 688 HB3 LYS 100 2HB LYS 100 1.784 6.432 3.395 689 HG2 LYS 100 1HG LYS 100 2.675 8.719 5.113 690 HG3 LYS 100 2HG LYS 100 2.461 8.899 3.370 691 HD2 LYS 100 1HD LYS 100 0.154 8.338 3.514 692 HD3 LYS 100 2HD LYS 100 0.320 7.814 5.192 693 HE2 LYS 100 1HE LYS 100 -0.705 9.958 5.228 694 HE3 LYS 100 2HE LYS 100 0.962 10.174 5.760 695 HZ1 LYS 100 1HZ LYS 100 0.545 10.473 2.914 696 HZ2 LYS 100 2HZ LYS 100 1.453 11.420 3.981 697 HZ3 LYS 100 3HZ LYS 100 -0.219 11.647 3.863 698 H ALA 101 H ALA 101 4.277 4.374 4.588 699 HA ALA 101 HA ALA 101 2.481 2.330 3.732 700 HB1 ALA 101 1HB ALA 101 4.629 2.568 2.663 701 HB2 ALA 101 2HB ALA 101 5.461 2.271 4.190 702 HB3 ALA 101 3HB ALA 101 4.530 0.981 3.427 703 H LEU 102 H LEU 102 4.794 2.516 6.442 704 HA LEU 102 HA LEU 102 4.393 0.137 7.676 705 HB2 LEU 102 1HB LEU 102 4.738 2.876 8.853 706 HB3 LEU 102 2HB LEU 102 4.661 1.435 9.864 707 HG LEU 102 HG LEU 102 6.671 1.633 7.652 708 HD11 LEU 102 1HD1 LEU 102 6.625 3.627 9.386 709 HD12 LEU 102 2HD1 LEU 102 8.138 2.896 8.852 710 HD13 LEU 102 3HD1 LEU 102 7.437 2.439 10.405 711 HD21 LEU 102 1HD2 LEU 102 7.914 0.267 9.477 712 HD22 LEU 102 2HD2 LEU 102 6.659 -0.511 8.514 713 HD23 LEU 102 3HD2 LEU 102 6.301 0.037 10.153 714 H TYR 103 H TYR 103 2.423 3.045 8.290 715 HA TYR 103 HA TYR 103 0.610 2.028 10.073 716 HB2 TYR 103 1HB TYR 103 0.696 4.391 9.316 717 HB3 TYR 103 2HB TYR 103 -0.047 3.909 7.795 718 HD1 TYR 103 2HD TYR 103 -0.787 3.080 11.367 719 HD2 TYR 103 1HD TYR 103 -2.213 4.696 7.698 720 HE1 TYR 103 2HE TYR 103 -3.014 3.373 12.368 721 HE2 TYR 103 1HE TYR 103 -4.444 4.994 8.690 722 HH TYR 103 HH TYR 103 -5.614 3.556 11.051 723 H ARG 104 H ARG 104 0.531 1.760 6.542 724 HA ARG 104 HA ARG 104 -1.955 0.383 6.440 725 HB2 ARG 104 1HB ARG 104 0.263 0.913 4.506 726 HB3 ARG 104 2HB ARG 104 -0.944 -0.302 4.106 727 HG2 ARG 104 1HG ARG 104 -1.849 2.393 4.990 728 HG3 ARG 104 2HG ARG 104 -1.236 2.182 3.348 729 HD2 ARG 104 1HD ARG 104 -2.982 0.845 2.721 730 HD3 ARG 104 2HD ARG 104 -3.240 0.232 4.354 731 HE ARG 104 HE ARG 104 -3.938 2.860 4.509 732 HH11 ARG 104 2HH1 ARG 104 -4.897 0.188 2.494 733 HH12 ARG 104 1HH1 ARG 104 -6.509 0.777 2.254 734 HH21 ARG 104 2HH2 ARG 104 -6.057 3.646 4.202 735 HH22 ARG 104 1HH2 ARG 104 -7.167 2.745 3.226 736 H ARG 105 H ARG 105 1.426 -0.653 6.460 737 HA ARG 105 HA ARG 105 1.144 -3.340 5.916 738 HB2 ARG 105 1HB ARG 105 3.272 -1.951 6.377 739 HB3 ARG 105 2HB ARG 105 3.007 -2.366 8.066 740 HG2 ARG 105 1HG ARG 105 3.285 -4.678 7.635 741 HG3 ARG 105 2HG ARG 105 3.224 -4.426 5.889 742 HD2 ARG 105 1HD ARG 105 5.481 -4.587 6.159 743 HD3 ARG 105 2HD ARG 105 5.286 -2.853 6.415 744 HE ARG 105 HE ARG 105 5.038 -3.941 8.905 745 HH11 ARG 105 2HH1 ARG 105 7.449 -4.066 6.396 746 HH12 ARG 105 1HH1 ARG 105 8.772 -4.263 7.497 747 HH21 ARG 105 2HH2 ARG 105 6.772 -4.201 10.364 748 HH22 ARG 105 1HH2 ARG 105 8.386 -4.341 9.753 749 H SER 106 H SER 106 0.950 -1.755 9.097 750 HA SER 106 HA SER 106 0.580 -3.892 10.746 751 HB2 SER 106 1HB SER 106 -0.381 -2.429 12.299 752 HB3 SER 106 2HB SER 106 0.552 -1.346 11.266 753 HG SER 106 HG SER 106 -1.353 -0.819 10.176 754 H GLN 107 H GLN 107 -1.890 -2.325 8.745 755 HA GLN 107 HA GLN 107 -4.152 -3.635 9.581 756 HB2 GLN 107 1HB GLN 107 -3.444 -2.984 6.715 757 HB3 GLN 107 2HB GLN 107 -5.063 -3.254 7.346 758 HG2 GLN 107 1HG GLN 107 -4.394 -1.283 8.959 759 HG3 GLN 107 2HG GLN 107 -3.271 -0.908 7.654 760 HE21 GLN 107 1HE2 GLN 107 -6.338 -0.435 8.818 761 HE22 GLN 107 2HE2 GLN 107 -7.095 0.144 7.376 762 H ALA 108 H ALA 108 -1.755 -4.765 7.223 763 HA ALA 108 HA ALA 108 -3.108 -7.236 6.721 764 HB1 ALA 108 1HB ALA 108 -0.548 -5.994 5.900 765 HB2 ALA 108 2HB ALA 108 -0.655 -7.753 5.817 766 HB3 ALA 108 3HB ALA 108 -1.806 -6.757 4.926 767 H LEU 109 H LEU 109 -0.327 -6.266 8.695 768 HA LEU 109 HA LEU 109 0.549 -8.741 9.549 769 HB2 LEU 109 1HB LEU 109 0.492 -6.055 10.875 770 HB3 LEU 109 2HB LEU 109 1.149 -7.463 11.707 771 HG LEU 109 HG LEU 109 2.165 -6.416 9.066 772 HD11 LEU 109 1HD1 LEU 109 4.164 -5.905 10.738 773 HD12 LEU 109 2HD1 LEU 109 2.825 -5.723 11.871 774 HD13 LEU 109 3HD1 LEU 109 2.885 -4.735 10.412 775 HD21 LEU 109 1HD2 LEU 109 2.693 -8.791 10.678 776 HD22 LEU 109 2HD2 LEU 109 4.147 -7.875 10.277 777 HD23 LEU 109 3HD2 LEU 109 3.085 -8.452 8.992 778 H GLU 110 H GLU 110 -1.750 -6.631 11.284 779 HA GLU 110 HA GLU 110 -2.436 -8.348 13.324 780 HB2 GLU 110 1HB GLU 110 -4.004 -6.227 11.884 781 HB3 GLU 110 2HB GLU 110 -4.722 -7.148 13.197 782 HG2 GLU 110 1HG GLU 110 -3.380 -6.198 14.788 783 HG3 GLU 110 2HG GLU 110 -2.090 -5.839 13.642 784 H LYS 111 H LYS 111 -3.859 -8.135 10.084 785 HA LYS 111 HA LYS 111 -5.886 -10.031 10.425 786 HB2 LYS 111 1HB LYS 111 -5.294 -8.394 8.435 787 HB3 LYS 111 2HB LYS 111 -4.471 -9.813 7.803 788 HG2 LYS 111 1HG LYS 111 -6.507 -10.100 6.842 789 HG3 LYS 111 2HG LYS 111 -6.782 -10.965 8.356 790 HD2 LYS 111 1HD LYS 111 -7.535 -8.579 9.187 791 HD3 LYS 111 2HD LYS 111 -7.805 -8.312 7.463 792 HE2 LYS 111 1HE LYS 111 -9.150 -10.449 7.472 793 HE3 LYS 111 2HE LYS 111 -9.048 -10.409 9.232 794 HZ1 LYS 111 1HZ LYS 111 -9.939 -7.984 8.836 795 HZ2 LYS 111 2HZ LYS 111 -10.993 -9.304 8.922 796 HZ3 LYS 111 3HZ LYS 111 -10.548 -8.674 7.416 797 H LEU 112 H LEU 112 -2.487 -10.403 9.585 798 HA LEU 112 HA LEU 112 -2.757 -13.255 9.168 799 HB2 LEU 112 1HB LEU 112 -0.257 -11.582 9.346 800 HB3 LEU 112 2HB LEU 112 -0.379 -13.230 8.733 801 HG LEU 112 HG LEU 112 -1.934 -11.061 7.396 802 HD11 LEU 112 1HD1 LEU 112 0.932 -11.645 6.707 803 HD12 LEU 112 2HD1 LEU 112 0.453 -10.294 7.733 804 HD13 LEU 112 3HD1 LEU 112 -0.113 -10.377 6.065 805 HD21 LEU 112 1HD2 LEU 112 -1.717 -13.739 6.984 806 HD22 LEU 112 2HD2 LEU 112 -0.499 -13.115 5.872 807 HD23 LEU 112 3HD2 LEU 112 -2.170 -12.565 5.747 808 H GLY 113 H GLY 113 -3.444 -12.113 11.790 809 HA2 GLY 113 1HA GLY 113 -3.146 -12.580 14.019 810 HA3 GLY 113 2HA GLY 113 -2.449 -14.093 13.460 811 H ARG 114 H ARG 114 -1.075 -10.973 12.676 812 HA ARG 114 HA ARG 114 1.278 -11.687 14.289 813 HB2 ARG 114 1HB ARG 114 1.007 -9.892 11.873 814 HB3 ARG 114 2HB ARG 114 2.489 -10.080 12.799 815 HG2 ARG 114 1HG ARG 114 2.626 -12.406 12.208 816 HG3 ARG 114 2HG ARG 114 1.056 -12.330 11.405 817 HD2 ARG 114 1HD ARG 114 2.627 -12.200 9.669 818 HD3 ARG 114 2HD ARG 114 2.089 -10.540 9.917 819 HE ARG 114 HE ARG 114 4.196 -9.990 10.669 820 HH11 ARG 114 2HH1 ARG 114 3.905 -13.445 10.363 821 HH12 ARG 114 1HH1 ARG 114 5.600 -13.737 10.573 822 HH21 ARG 114 2HH2 ARG 114 6.429 -10.361 10.947 823 HH22 ARG 114 1HH2 ARG 114 7.035 -11.982 10.906 824 H LEU 115 H LEU 115 -0.887 -10.561 15.622 825 HA LEU 115 HA LEU 115 -0.979 -7.813 15.872 826 HB2 LEU 115 1HB LEU 115 -1.173 -9.728 18.185 827 HB3 LEU 115 2HB LEU 115 -1.926 -8.142 18.037 828 HG LEU 115 HG LEU 115 -2.641 -10.540 16.351 829 HD11 LEU 115 1HD1 LEU 115 -3.163 -10.752 18.804 830 HD12 LEU 115 2HD1 LEU 115 -4.551 -10.839 17.719 831 HD13 LEU 115 3HD1 LEU 115 -4.226 -9.357 18.618 832 HD21 LEU 115 1HD2 LEU 115 -4.649 -8.512 16.556 833 HD22 LEU 115 2HD2 LEU 115 -3.844 -9.142 15.118 834 HD23 LEU 115 3HD2 LEU 115 -3.136 -7.792 16.006 835 H ASP 116 H ASP 116 1.294 -10.096 17.299 836 HA ASP 116 HA ASP 116 2.577 -8.368 19.083 837 HB2 ASP 116 1HB ASP 116 3.824 -10.651 17.538 838 HB3 ASP 116 2HB ASP 116 4.433 -9.945 19.033 839 H GLN 117 H GLN 117 3.081 -8.926 15.640 840 HA GLN 117 HA GLN 117 5.400 -7.235 15.499 841 HB2 GLN 117 1HB GLN 117 3.655 -8.512 13.397 842 HB3 GLN 117 2HB GLN 117 5.024 -7.483 13.000 843 HG2 GLN 117 1HG GLN 117 5.471 -9.944 12.943 844 HG3 GLN 117 2HG GLN 117 6.563 -8.999 13.955 845 HE21 GLN 117 1HE2 GLN 117 3.602 -10.929 14.098 846 HE22 GLN 117 2HE2 GLN 117 3.891 -11.576 15.673 847 H ALA 118 H ALA 118 2.002 -6.949 14.504 848 HA ALA 118 HA ALA 118 1.896 -4.582 13.228 849 HB1 ALA 118 1HB ALA 118 0.067 -6.134 14.759 850 HB2 ALA 118 2HB ALA 118 -0.182 -4.429 15.139 851 HB3 ALA 118 3HB ALA 118 -0.271 -4.982 13.467 852 H VAL 119 H VAL 119 2.321 -4.999 16.710 853 HA VAL 119 HA VAL 119 2.135 -2.276 17.420 854 HB VAL 119 HB VAL 119 3.572 -4.557 18.779 855 HG11 VAL 119 1HG1 VAL 119 2.938 -2.574 20.652 856 HG12 VAL 119 2HG1 VAL 119 4.543 -3.056 20.099 857 HG13 VAL 119 3HG1 VAL 119 3.694 -1.733 19.299 858 HG21 VAL 119 1HG2 VAL 119 0.988 -4.462 18.463 859 HG22 VAL 119 2HG2 VAL 119 1.663 -4.885 20.037 860 HG23 VAL 119 3HG2 VAL 119 1.063 -3.253 19.744 861 H LEU 120 H LEU 120 5.019 -4.331 16.980 862 HA LEU 120 HA LEU 120 6.949 -2.371 17.319 863 HB2 LEU 120 1HB LEU 120 7.108 -4.681 15.391 864 HB3 LEU 120 2HB LEU 120 8.459 -3.821 16.127 865 HG LEU 120 HG LEU 120 6.510 -5.224 17.896 866 HD11 LEU 120 1HD1 LEU 120 6.924 -7.233 17.061 867 HD12 LEU 120 2HD1 LEU 120 8.643 -6.992 17.369 868 HD13 LEU 120 3HD1 LEU 120 7.953 -6.531 15.813 869 HD21 LEU 120 1HD2 LEU 120 9.400 -5.406 18.336 870 HD22 LEU 120 2HD2 LEU 120 8.105 -4.967 19.450 871 HD23 LEU 120 3HD2 LEU 120 8.764 -3.761 18.344 872 H ASP 121 H ASP 121 5.261 -3.350 14.359 873 HA ASP 121 HA ASP 121 6.650 -1.716 12.563 874 HB2 ASP 121 1HB ASP 121 5.328 -3.231 11.451 875 HB3 ASP 121 2HB ASP 121 3.988 -3.052 12.580 876 H LEU 122 H LEU 122 3.639 -1.086 14.349 877 HA LEU 122 HA LEU 122 3.234 1.518 13.360 878 HB2 LEU 122 1HB LEU 122 2.335 0.184 15.904 879 HB3 LEU 122 2HB LEU 122 1.810 1.794 15.414 880 HG LEU 122 HG LEU 122 1.315 -0.720 13.822 881 HD11 LEU 122 1HD1 LEU 122 0.173 -0.240 16.198 882 HD12 LEU 122 2HD1 LEU 122 -0.666 -1.024 14.860 883 HD13 LEU 122 3HD1 LEU 122 -0.901 0.698 15.160 884 HD21 LEU 122 1HD2 LEU 122 1.309 1.179 12.392 885 HD22 LEU 122 2HD2 LEU 122 0.378 2.129 13.550 886 HD23 LEU 122 3HD2 LEU 122 -0.376 0.771 12.714 887 H GLN 123 H GLN 123 4.869 0.330 16.272 888 HA GLN 123 HA GLN 123 5.402 2.600 17.651 889 HB2 GLN 123 1HB GLN 123 7.170 0.231 17.089 890 HB3 GLN 123 2HB GLN 123 7.690 1.534 18.149 891 HG2 GLN 123 1HG GLN 123 5.342 1.046 19.275 892 HG3 GLN 123 2HG GLN 123 5.619 -0.542 18.561 893 HE21 GLN 123 1HE2 GLN 123 6.688 -1.931 19.761 894 HE22 GLN 123 2HE2 GLN 123 7.760 -1.546 21.060 895 H ARG 124 H ARG 124 7.041 1.521 14.713 896 HA ARG 124 HA ARG 124 9.064 3.452 14.645 897 HB2 ARG 124 1HB ARG 124 7.648 2.073 12.357 898 HB3 ARG 124 2HB ARG 124 9.139 2.993 12.204 899 HG2 ARG 124 1HG ARG 124 10.403 1.387 13.230 900 HG3 ARG 124 2HG ARG 124 9.041 0.755 14.159 901 HD2 ARG 124 1HD ARG 124 8.100 -0.002 11.900 902 HD3 ARG 124 2HD ARG 124 9.719 0.297 11.271 903 HE ARG 124 HE ARG 124 8.894 -1.856 13.016 904 HH11 ARG 124 2HH1 ARG 124 11.548 -0.012 11.722 905 HH12 ARG 124 1HH1 ARG 124 12.725 -1.245 12.029 906 HH21 ARG 124 2HH2 ARG 124 10.435 -3.487 13.426 907 HH22 ARG 124 1HH2 ARG 124 12.091 -3.222 12.997 908 H CYS 125 H CYS 125 5.895 3.467 13.011 909 HA CYS 125 HA CYS 125 5.896 5.800 11.682 910 HB2 CYS 125 1HB CYS 125 3.739 4.581 13.387 911 HB3 CYS 125 2HB CYS 125 3.456 6.073 12.498 912 HG CYS 125 HG CYS 125 2.970 3.121 11.434 913 H VAL 126 H VAL 126 4.956 5.618 15.121 914 HA VAL 126 HA VAL 126 4.681 8.288 15.665 915 HB VAL 126 HB VAL 126 5.937 6.255 17.515 916 HG11 VAL 126 1HG1 VAL 126 5.201 7.668 19.315 917 HG12 VAL 126 2HG1 VAL 126 6.181 8.629 18.206 918 HG13 VAL 126 3HG1 VAL 126 4.423 8.775 18.184 919 HG21 VAL 126 1HG2 VAL 126 3.953 5.271 17.700 920 HG22 VAL 126 2HG2 VAL 126 3.168 6.816 18.026 921 HG23 VAL 126 3HG2 VAL 126 3.379 6.268 16.363 922 H SER 127 H SER 127 7.655 6.436 15.384 923 HA SER 127 HA SER 127 9.455 8.263 16.473 924 HB2 SER 127 1HB SER 127 9.813 5.831 15.581 925 HB3 SER 127 2HB SER 127 10.185 6.636 14.057 926 HG SER 127 HG SER 127 12.020 7.292 14.858 927 H LEU 128 H LEU 128 8.714 7.801 13.011 928 HA LEU 128 HA LEU 128 10.110 10.002 12.054 929 HB2 LEU 128 1HB LEU 128 7.879 8.327 11.069 930 HB3 LEU 128 2HB LEU 128 8.119 9.879 10.268 931 HG LEU 128 HG LEU 128 10.625 8.963 10.151 932 HD11 LEU 128 1HD1 LEU 128 10.630 6.872 11.011 933 HD12 LEU 128 2HD1 LEU 128 10.110 6.457 9.379 934 HD13 LEU 128 3HD1 LEU 128 8.920 6.606 10.672 935 HD21 LEU 128 1HD2 LEU 128 9.865 9.532 8.106 936 HD22 LEU 128 2HD2 LEU 128 8.281 8.804 8.372 937 HD23 LEU 128 3HD2 LEU 128 9.654 7.790 7.927 938 H GLU 129 H GLU 129 6.712 9.775 13.061 939 HA GLU 129 HA GLU 129 6.636 12.720 13.144 940 HB2 GLU 129 1HB GLU 129 4.418 10.766 12.529 941 HB3 GLU 129 2HB GLU 129 4.154 12.476 12.835 942 HG2 GLU 129 1HG GLU 129 5.924 11.427 10.644 943 HG3 GLU 129 2HG GLU 129 4.222 11.828 10.427 944 HA PRO 130 HA PRO 130 6.230 11.594 17.514 945 HB2 PRO 130 1HB PRO 130 6.931 14.053 18.426 946 HB3 PRO 130 2HB PRO 130 8.115 12.843 17.919 947 HG2 PRO 130 1HG PRO 130 7.044 15.194 16.407 948 HG3 PRO 130 2HG PRO 130 8.712 14.603 16.522 949 HD2 PRO 130 1HD PRO 130 7.128 14.087 14.387 950 HD3 PRO 130 2HD PRO 130 8.369 12.950 14.953 951 H LYS 131 H LYS 131 4.799 14.197 15.677 952 HA LYS 131 HA LYS 131 2.869 14.819 17.758 953 HB2 LYS 131 1HB LYS 131 3.212 15.882 14.949 954 HB3 LYS 131 2HB LYS 131 1.991 16.448 16.081 955 HG2 LYS 131 1HG LYS 131 3.568 18.021 16.466 956 HG3 LYS 131 2HG LYS 131 4.132 16.803 17.612 957 HD2 LYS 131 1HD LYS 131 6.097 17.214 16.535 958 HD3 LYS 131 2HD LYS 131 5.460 15.960 15.470 959 HE2 LYS 131 1HE LYS 131 6.292 17.811 14.154 960 HE3 LYS 131 2HE LYS 131 4.538 17.710 14.002 961 HZ1 LYS 131 1HZ LYS 131 5.234 19.395 16.163 962 HZ2 LYS 131 2HZ LYS 131 4.347 19.764 14.771 963 HZ3 LYS 131 3HZ LYS 131 6.033 19.910 14.764 964 H ASN 132 H ASN 132 2.873 13.448 14.481 965 HA ASN 132 HA ASN 132 0.293 13.045 13.900 966 HB2 ASN 132 1HB ASN 132 2.693 11.318 13.550 967 HB3 ASN 132 2HB ASN 132 1.121 10.595 13.218 968 HD21 ASN 132 1HD2 ASN 132 0.251 10.918 11.292 969 HD22 ASN 132 2HD2 ASN 132 0.782 12.082 10.131 970 H LYS 133 H LYS 133 -1.409 12.406 15.027 971 HA LYS 133 HA LYS 133 -1.077 10.723 17.370 972 HB2 LYS 133 1HB LYS 133 -2.623 12.831 17.065 973 HB3 LYS 133 2HB LYS 133 -3.742 11.659 16.382 974 HG2 LYS 133 1HG LYS 133 -4.015 10.551 18.388 975 HG3 LYS 133 2HG LYS 133 -2.488 11.146 19.043 976 HD2 LYS 133 1HD LYS 133 -4.051 12.401 20.205 977 HD3 LYS 133 2HD LYS 133 -3.617 13.478 18.875 978 HE2 LYS 133 1HE LYS 133 -5.609 12.426 17.643 979 HE3 LYS 133 2HE LYS 133 -6.097 11.823 19.225 980 HZ1 LYS 133 1HZ LYS 133 -5.440 14.598 19.298 981 HZ2 LYS 133 2HZ LYS 133 -6.854 13.816 19.797 982 HZ3 LYS 133 3HZ LYS 133 -6.671 14.283 18.181 983 H VAL 134 H VAL 134 -2.807 10.632 14.273 984 HA VAL 134 HA VAL 134 -4.295 8.417 14.347 985 HB VAL 134 HB VAL 134 -2.303 8.993 12.149 986 HG11 VAL 134 1HG1 VAL 134 -4.819 7.330 12.154 987 HG12 VAL 134 2HG1 VAL 134 -3.901 7.770 10.713 988 HG13 VAL 134 3HG1 VAL 134 -3.168 6.747 11.949 989 HG21 VAL 134 1HG2 VAL 134 -5.153 9.901 12.538 990 HG22 VAL 134 2HG2 VAL 134 -3.709 10.913 12.584 991 HG23 VAL 134 3HG2 VAL 134 -4.203 10.150 11.073 992 H PHE 135 H PHE 135 -0.789 8.461 14.427 993 HA PHE 135 HA PHE 135 -0.460 5.643 14.109 994 HB2 PHE 135 1HB PHE 135 1.431 7.719 15.236 995 HB3 PHE 135 2HB PHE 135 1.871 6.066 14.819 996 HD1 PHE 135 1HD PHE 135 0.606 5.613 12.275 997 HD2 PHE 135 2HD PHE 135 2.484 9.133 13.761 998 HE1 PHE 135 1HE PHE 135 1.092 6.323 9.970 999 HE2 PHE 135 2HE PHE 135 2.971 9.849 11.458 1000 HZ PHE 135 HZ PHE 135 2.274 8.444 9.559 1001 H GLN 136 H GLN 136 -0.389 7.832 16.906 1002 HA GLN 136 HA GLN 136 0.188 5.944 18.872 1003 HB2 GLN 136 1HB GLN 136 -1.424 8.493 19.017 1004 HB3 GLN 136 2HB GLN 136 -0.967 7.552 20.431 1005 HG2 GLN 136 1HG GLN 136 1.316 8.002 20.128 1006 HG3 GLN 136 2HG GLN 136 1.065 8.585 18.483 1007 HE21 GLN 136 1HE2 GLN 136 2.011 10.561 18.835 1008 HE22 GLN 136 2HE2 GLN 136 1.296 11.784 19.824 1009 H GLU 137 H GLU 137 -2.988 7.116 17.766 1010 HA GLU 137 HA GLU 137 -4.567 5.537 19.434 1011 HB2 GLU 137 1HB GLU 137 -6.383 6.117 18.072 1012 HB3 GLU 137 2HB GLU 137 -5.263 7.458 17.878 1013 HG2 GLU 137 1HG GLU 137 -4.621 6.755 15.735 1014 HG3 GLU 137 2HG GLU 137 -5.335 5.159 15.955 1015 H ALA 138 H ALA 138 -2.986 4.784 16.398 1016 HA ALA 138 HA ALA 138 -4.327 2.372 15.829 1017 HB1 ALA 138 1HB ALA 138 -1.480 2.615 15.057 1018 HB2 ALA 138 2HB ALA 138 -2.886 2.161 14.092 1019 HB3 ALA 138 3HB ALA 138 -2.582 3.858 14.463 1020 H LEU 139 H LEU 139 -1.086 2.853 17.251 1021 HA LEU 139 HA LEU 139 -0.722 0.154 17.968 1022 HB2 LEU 139 1HB LEU 139 0.921 2.226 17.832 1023 HB3 LEU 139 2HB LEU 139 0.572 2.307 19.557 1024 HG LEU 139 HG LEU 139 1.443 -0.303 18.426 1025 HD11 LEU 139 1HD1 LEU 139 3.707 0.237 18.338 1026 HD12 LEU 139 2HD1 LEU 139 3.473 1.771 19.175 1027 HD13 LEU 139 3HD1 LEU 139 2.922 1.582 17.510 1028 HD21 LEU 139 1HD2 LEU 139 2.094 1.138 20.993 1029 HD22 LEU 139 2HD2 LEU 139 2.456 -0.543 20.601 1030 HD23 LEU 139 3HD2 LEU 139 0.781 -0.023 20.793 1031 H ARG 140 H ARG 140 -2.027 2.921 19.726 1032 HA ARG 140 HA ARG 140 -2.234 1.645 22.242 1033 HB2 ARG 140 1HB ARG 140 -3.395 4.095 20.996 1034 HB3 ARG 140 2HB ARG 140 -4.126 3.488 22.476 1035 HG2 ARG 140 1HG ARG 140 -1.189 4.071 22.208 1036 HG3 ARG 140 2HG ARG 140 -2.371 5.253 22.775 1037 HD2 ARG 140 1HD ARG 140 -1.990 2.543 24.033 1038 HD3 ARG 140 2HD ARG 140 -1.148 3.994 24.577 1039 HE ARG 140 HE ARG 140 -3.925 3.328 25.000 1040 HH11 ARG 140 2HH1 ARG 140 -1.524 5.847 24.947 1041 HH12 ARG 140 1HH1 ARG 140 -2.423 6.906 25.983 1042 HH21 ARG 140 2HH2 ARG 140 -5.119 4.712 26.363 1043 HH22 ARG 140 1HH2 ARG 140 -4.468 6.259 26.788 1044 H ASN 141 H ASN 141 -4.238 1.651 19.396 1045 HA ASN 141 HA ASN 141 -6.617 0.695 20.618 1046 HB2 ASN 141 1HB ASN 141 -5.605 0.774 17.786 1047 HB3 ASN 141 2HB ASN 141 -7.109 -0.051 18.184 1048 HD21 ASN 141 1HD2 ASN 141 -7.568 1.796 16.514 1049 HD22 ASN 141 2HD2 ASN 141 -8.167 3.255 17.218 1050 H ILE 142 H ILE 142 -4.050 -0.942 18.771 1051 HA ILE 142 HA ILE 142 -5.130 -3.548 19.256 1052 HB ILE 142 HB ILE 142 -3.081 -4.398 18.235 1053 HG12 ILE 142 1HG1 ILE 142 -2.178 -1.513 18.123 1054 HG13 ILE 142 2HG1 ILE 142 -1.555 -2.707 19.257 1055 HG21 ILE 142 1HG2 ILE 142 -4.569 -3.928 16.564 1056 HG22 ILE 142 2HG2 ILE 142 -4.623 -2.208 16.945 1057 HG23 ILE 142 3HG2 ILE 142 -3.235 -2.878 16.089 1058 HD11 ILE 142 1HD1 ILE 142 -1.107 -4.024 16.989 1059 HD12 ILE 142 2HD1 ILE 142 -1.034 -2.373 16.372 1060 HD13 ILE 142 3HD1 ILE 142 0.043 -2.877 17.675 1061 H SER 143 H SER 143 -2.584 -1.574 20.681 1062 HA SER 143 HA SER 143 -1.522 -3.609 22.354 1063 HB2 SER 143 1HB SER 143 -0.418 -1.395 21.663 1064 HB3 SER 143 2HB SER 143 -1.380 -0.655 22.942 1065 HG SER 143 HG SER 143 -0.345 -2.640 24.141 1066 H GLY 144 H GLY 144 -3.955 -1.083 22.818 1067 HA2 GLY 144 1HA GLY 144 -4.447 -2.041 25.545 1068 HA3 GLY 144 2HA GLY 144 -5.081 -0.561 24.840 1069 HA PRO 145 HA PRO 145 -8.306 -3.996 24.831 1070 HB2 PRO 145 1HB PRO 145 -10.073 -2.771 26.488 1071 HB3 PRO 145 2HB PRO 145 -8.790 -3.838 27.071 1072 HG2 PRO 145 1HG PRO 145 -8.870 -0.847 26.976 1073 HG3 PRO 145 2HG PRO 145 -8.292 -1.910 28.272 1074 HD2 PRO 145 1HD PRO 145 -6.613 -0.679 26.541 1075 HD3 PRO 145 2HD PRO 145 -6.262 -2.271 27.242 1076 H SER 146 H SER 146 -10.030 -3.956 23.468 1077 HA SER 146 HA SER 146 -10.781 -1.331 22.360 1078 HB2 SER 146 1HB SER 146 -9.660 -2.864 20.762 1079 HB3 SER 146 2HB SER 146 -10.948 -4.041 21.019 1080 HG SER 146 HG SER 146 -11.705 -2.976 19.325 1081 H SER 147 H SER 147 -12.188 -4.600 22.634 1082 HA SER 147 HA SER 147 -14.808 -4.138 22.312 1083 HB2 SER 147 1HB SER 147 -13.607 -5.814 24.529 1084 HB3 SER 147 2HB SER 147 -15.276 -5.925 23.972 1085 HG SER 147 HG SER 147 -14.556 -6.654 22.001 1086 H GLY 148 H GLY 148 -13.087 -3.581 25.378 1087 HA2 GLY 148 1HA GLY 148 -14.290 -1.229 26.098 1088 HA3 GLY 148 2HA GLY 148 -15.397 -2.470 26.666
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