NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
544466 | 2ltl | 18487 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -12.819 23.633 -33.887 2 H2 MET 1 2H MET 1 -11.873 25.031 -33.891 3 H3 MET 1 3H MET 1 -12.589 24.503 -32.459 4 HA MET 1 HA MET 1 -11.252 22.558 -32.405 5 HB2 MET 1 2HB MET 1 -10.157 23.620 -35.049 6 HB3 MET 1 3HB MET 1 -9.317 22.394 -34.108 7 HG2 MET 1 2HG MET 1 -11.302 20.914 -34.319 8 HG3 MET 1 3HG MET 1 -12.075 22.134 -35.327 9 HE1 MET 1 3HE MET 1 -8.236 20.986 -35.346 10 HE2 MET 1 1HE MET 1 -8.315 19.735 -36.584 11 HE3 MET 1 2HE MET 1 -9.152 19.506 -35.049 12 H GLY 2 H GLY 2 -9.741 22.822 -30.822 13 HA2 GLY 2 2HA GLY 2 -7.444 24.245 -30.735 14 HA3 GLY 2 3HA GLY 2 -8.638 25.455 -30.290 15 H HIS 3 H HIS 3 -7.484 22.204 -29.446 16 HA HIS 3 HA HIS 3 -8.571 22.137 -26.839 17 HB2 HIS 3 2HB HIS 3 -6.971 20.266 -26.406 18 HB3 HIS 3 3HB HIS 3 -7.866 20.062 -27.910 19 HD1 HIS 3 HD1 HIS 3 -4.437 20.321 -26.545 20 HD2 HIS 3 HD2 HIS 3 -6.246 20.450 -30.289 21 HE1 HIS 3 HE1 HIS 3 -2.575 20.114 -28.212 22 HE2 HIS 3 HE2 HIS 3 -3.705 20.086 -30.454 23 H HIS 4 H HIS 4 -8.173 23.843 -25.534 24 HA HIS 4 HA HIS 4 -5.361 24.699 -25.058 25 HB2 HIS 4 2HB HIS 4 -6.925 26.340 -26.287 26 HB3 HIS 4 3HB HIS 4 -7.822 26.484 -24.780 27 HD1 HIS 4 HD1 HIS 4 -4.314 27.054 -26.130 28 HD2 HIS 4 HD2 HIS 4 -6.795 28.430 -23.096 29 HE1 HIS 4 HE1 HIS 4 -3.080 28.949 -25.057 30 HE2 HIS 4 HE2 HIS 4 -4.679 29.872 -23.355 31 H HIS 5 H HIS 5 -7.850 23.031 -23.652 32 HA HIS 5 HA HIS 5 -7.944 24.104 -21.019 33 HB2 HIS 5 2HB HIS 5 -9.099 22.074 -20.373 34 HB3 HIS 5 3HB HIS 5 -9.650 22.500 -21.988 35 HD1 HIS 5 HD1 HIS 5 -8.504 19.674 -20.084 36 HD2 HIS 5 HD2 HIS 5 -8.179 20.854 -24.057 37 HE1 HIS 5 HE1 HIS 5 -7.901 17.606 -21.363 38 HE2 HIS 5 HE2 HIS 5 -7.743 18.339 -23.754 39 H HIS 6 H HIS 6 -6.826 23.517 -19.147 40 HA HIS 6 HA HIS 6 -4.567 21.699 -19.206 41 HB2 HIS 6 2HB HIS 6 -2.838 23.432 -18.757 42 HB3 HIS 6 3HB HIS 6 -3.582 23.669 -20.335 43 HD1 HIS 6 HD1 HIS 6 -3.123 25.297 -17.022 44 HD2 HIS 6 HD2 HIS 6 -5.240 26.000 -20.525 45 HE1 HIS 6 HE1 HIS 6 -3.946 27.662 -16.859 46 HE2 HIS 6 HE2 HIS 6 -5.133 28.089 -19.025 47 H HIS 7 H HIS 7 -3.595 21.435 -17.110 48 HA HIS 7 HA HIS 7 -4.912 22.708 -14.811 49 HB2 HIS 7 2HB HIS 7 -5.342 20.586 -13.682 50 HB3 HIS 7 3HB HIS 7 -6.156 20.574 -15.242 51 HD1 HIS 7 HD1 HIS 7 -3.948 18.592 -13.166 52 HD2 HIS 7 HD2 HIS 7 -4.643 18.954 -17.246 53 HE1 HIS 7 HE1 HIS 7 -2.996 16.522 -14.195 54 HE2 HIS 7 HE2 HIS 7 -3.304 16.831 -16.665 55 H HIS 8 H HIS 8 -3.500 23.090 -13.140 56 HA HIS 8 HA HIS 8 -0.674 22.289 -13.574 57 HB2 HIS 8 2HB HIS 8 0.031 24.335 -12.468 58 HB3 HIS 8 3HB HIS 8 -1.079 24.733 -13.769 59 HD1 HIS 8 HD1 HIS 8 -0.328 25.863 -10.554 60 HD2 HIS 8 HD2 HIS 8 -3.918 24.981 -12.446 61 HE1 HIS 8 HE1 HIS 8 -2.086 27.185 -9.342 62 HE2 HIS 8 HE2 HIS 8 -4.248 26.490 -10.392 63 H SER 9 H SER 9 0.613 21.723 -11.840 64 HA SER 9 HA SER 9 -0.682 20.137 -9.829 65 HB2 SER 9 2HB SER 9 1.380 19.423 -11.025 66 HB3 SER 9 3HB SER 9 2.278 20.738 -10.266 67 HG SER 9 HG SER 9 1.010 18.556 -8.962 68 H HIS 10 H HIS 10 0.379 20.246 -7.493 69 HA HIS 10 HA HIS 10 -0.364 22.904 -6.480 70 HB2 HIS 10 2HB HIS 10 -0.006 20.233 -5.034 71 HB3 HIS 10 3HB HIS 10 -0.511 21.733 -4.262 72 HD1 HIS 10 HD1 HIS 10 -2.924 21.590 -3.782 73 HD2 HIS 10 HD2 HIS 10 -2.032 19.839 -7.435 74 HE1 HIS 10 HE1 HIS 10 -5.117 20.798 -4.697 75 HE2 HIS 10 HE2 HIS 10 -4.504 19.529 -6.775 76 H MET 11 H MET 11 1.222 24.323 -6.048 77 HA MET 11 HA MET 11 3.741 23.393 -4.786 78 HB2 MET 11 2HB MET 11 4.678 25.651 -5.451 79 HB3 MET 11 3HB MET 11 4.312 24.588 -6.800 80 HG2 MET 11 2HG MET 11 2.271 25.851 -7.265 81 HG3 MET 11 3HG MET 11 2.572 26.879 -5.868 82 HE1 MET 11 3HE MET 11 5.301 25.551 -8.422 83 HE2 MET 11 1HE MET 11 5.299 26.860 -9.602 84 HE3 MET 11 2HE MET 11 3.889 25.815 -9.448 85 H ASN 12 H ASN 12 2.924 23.191 -2.773 86 HA ASN 12 HA ASN 12 1.465 25.432 -1.501 87 HB2 ASN 12 2HB ASN 12 0.579 23.732 0.058 88 HB3 ASN 12 3HB ASN 12 0.231 23.292 -1.610 89 HD21 ASN 12 1HD2 ASN 12 0.347 21.579 0.751 90 HD22 ASN 12 2HD2 ASN 12 1.548 20.383 0.430 91 H SER 13 H SER 13 1.794 25.542 0.920 92 HA SER 13 HA SER 13 4.660 25.441 1.631 93 HB2 SER 13 2HB SER 13 3.459 27.649 1.725 94 HB3 SER 13 3HB SER 13 2.379 26.992 2.956 95 HG SER 13 HG SER 13 3.855 27.573 4.329 96 H GLN 14 H GLN 14 2.319 23.327 1.799 97 HA GLN 14 HA GLN 14 2.547 22.578 4.657 98 HB2 GLN 14 2HB GLN 14 0.256 23.042 3.739 99 HB3 GLN 14 3HB GLN 14 0.486 21.759 2.556 100 HG2 GLN 14 2HG GLN 14 0.706 20.129 4.470 101 HG3 GLN 14 3HG GLN 14 0.303 21.448 5.568 102 HE21 GLN 14 1HE2 GLN 14 -1.126 18.945 5.083 103 HE22 GLN 14 2HE2 GLN 14 -2.721 19.380 4.578 104 H ARG 15 H ARG 15 4.413 21.379 4.665 105 HA ARG 15 HA ARG 15 5.160 19.520 2.584 106 HB2 ARG 15 2HB ARG 15 6.415 20.160 5.276 107 HB3 ARG 15 3HB ARG 15 7.116 19.032 4.118 108 HG2 ARG 15 2HG ARG 15 7.309 20.870 2.467 109 HG3 ARG 15 3HG ARG 15 6.655 21.994 3.661 110 HD2 ARG 15 2HD ARG 15 9.214 20.390 3.977 111 HD3 ARG 15 3HD ARG 15 9.133 22.092 3.516 112 HE ARG 15 HE ARG 15 7.796 22.058 5.870 113 HH11 ARG 15 1HH1 ARG 15 10.968 20.805 4.973 114 HH12 ARG 15 2HH1 ARG 15 11.639 21.025 6.564 115 HH21 ARG 15 1HH2 ARG 15 8.698 22.357 7.942 116 HH22 ARG 15 2HH2 ARG 15 10.339 21.909 8.243 117 H LEU 16 H LEU 16 2.867 19.080 4.850 118 HA LEU 16 HA LEU 16 3.326 16.163 4.880 119 HB2 LEU 16 2HB LEU 16 2.510 15.897 7.087 120 HB3 LEU 16 3HB LEU 16 3.721 17.159 7.176 121 HG LEU 16 HG LEU 16 0.707 17.661 7.222 122 HD11 LEU 16 1HD1 LEU 16 1.403 16.438 9.225 123 HD12 LEU 16 2HD1 LEU 16 0.968 18.098 9.624 124 HD13 LEU 16 3HD1 LEU 16 2.669 17.631 9.534 125 HD21 LEU 16 3HD2 LEU 16 3.016 19.558 7.769 126 HD22 LEU 16 1HD2 LEU 16 1.302 19.934 7.983 127 HD23 LEU 16 2HD2 LEU 16 1.935 19.601 6.373 128 H ILE 17 H ILE 17 1.570 14.949 4.387 129 HA ILE 17 HA ILE 17 -0.991 16.310 3.774 130 HB ILE 17 HB ILE 17 0.273 13.966 2.260 131 HG12 ILE 17 2HG1 ILE 17 -0.236 16.842 1.372 132 HG13 ILE 17 3HG1 ILE 17 1.335 16.142 1.731 133 HG21 ILE 17 1HG2 ILE 17 -2.392 15.353 1.751 134 HG22 ILE 17 2HG2 ILE 17 -2.182 13.709 2.362 135 HG23 ILE 17 3HG2 ILE 17 -1.671 14.113 0.722 136 HD11 ILE 17 3HD1 ILE 17 1.008 16.327 -0.640 137 HD12 ILE 17 1HD1 ILE 17 -0.471 15.369 -0.562 138 HD13 ILE 17 2HD1 ILE 17 1.087 14.629 -0.179 139 H HIS 18 H HIS 18 -2.504 15.636 5.145 140 HA HIS 18 HA HIS 18 -2.173 13.515 6.989 141 HB2 HIS 18 2HB HIS 18 -4.717 15.025 6.231 142 HB3 HIS 18 3HB HIS 18 -4.532 13.994 7.647 143 HD1 HIS 18 HD1 HIS 18 -4.402 17.450 6.714 144 HD2 HIS 18 HD2 HIS 18 -2.308 15.082 9.413 145 HE1 HIS 18 HE1 HIS 18 -3.360 19.042 8.351 146 HE2 HIS 18 HE2 HIS 18 -2.245 17.565 10.059 147 H ILE 19 H ILE 19 -2.712 11.373 6.823 148 HA ILE 19 HA ILE 19 -4.011 10.419 4.331 149 HB ILE 19 HB ILE 19 -1.715 9.068 5.846 150 HG12 ILE 19 2HG1 ILE 19 -0.879 10.983 4.511 151 HG13 ILE 19 3HG1 ILE 19 -0.328 9.462 3.825 152 HG21 ILE 19 1HG2 ILE 19 -3.257 7.403 4.918 153 HG22 ILE 19 2HG2 ILE 19 -1.737 7.386 4.023 154 HG23 ILE 19 3HG2 ILE 19 -3.161 8.162 3.326 155 HD11 ILE 19 3HD1 ILE 19 -0.955 11.034 2.104 156 HD12 ILE 19 1HD1 ILE 19 -2.576 11.180 2.778 157 HD13 ILE 19 2HD1 ILE 19 -2.046 9.648 2.073 158 H LYS 20 H LYS 20 -5.739 9.118 4.721 159 HA LYS 20 HA LYS 20 -6.477 8.519 7.503 160 HB2 LYS 20 2HB LYS 20 -8.133 9.754 6.197 161 HB3 LYS 20 3HB LYS 20 -8.064 8.578 4.892 162 HG2 LYS 20 2HG LYS 20 -9.099 6.880 6.355 163 HG3 LYS 20 3HG LYS 20 -9.130 8.035 7.690 164 HD2 LYS 20 2HD LYS 20 -10.614 8.345 5.054 165 HD3 LYS 20 3HD LYS 20 -11.337 7.805 6.570 166 HE2 LYS 20 2HE LYS 20 -10.151 10.547 6.009 167 HE3 LYS 20 3HE LYS 20 -11.857 10.151 6.219 168 HZ1 LYS 20 3HZ LYS 20 -9.755 9.924 8.300 169 HZ2 LYS 20 1HZ LYS 20 -11.379 9.498 8.498 170 HZ3 LYS 20 2HZ LYS 20 -10.956 11.106 8.218 171 H THR 21 H THR 21 -6.992 6.399 8.099 172 HA THR 21 HA THR 21 -6.770 4.229 6.138 173 HB THR 21 HB THR 21 -4.558 4.197 7.040 174 HG1 THR 21 HG1 THR 21 -5.787 2.146 7.070 175 HG21 THR 21 3HG2 THR 21 -4.851 5.644 9.017 176 HG22 THR 21 1HG2 THR 21 -4.011 4.152 9.452 177 HG23 THR 21 2HG2 THR 21 -5.719 4.350 9.847 178 H LEU 22 H LEU 22 -8.673 3.319 6.203 179 HA LEU 22 HA LEU 22 -10.310 3.209 8.646 180 HB2 LEU 22 2HB LEU 22 -10.997 2.677 5.725 181 HB3 LEU 22 3HB LEU 22 -12.153 2.629 7.050 182 HG LEU 22 HG LEU 22 -10.627 5.113 6.164 183 HD11 LEU 22 1HD1 LEU 22 -12.752 5.915 5.256 184 HD12 LEU 22 2HD1 LEU 22 -13.530 4.385 5.672 185 HD13 LEU 22 3HD1 LEU 22 -12.245 4.425 4.462 186 HD21 LEU 22 3HD2 LEU 22 -12.848 4.802 8.210 187 HD22 LEU 22 1HD2 LEU 22 -12.163 6.334 7.655 188 HD23 LEU 22 2HD2 LEU 22 -11.157 5.192 8.540 189 H THR 23 H THR 23 -10.919 1.317 9.563 190 HA THR 23 HA THR 23 -9.567 -1.135 8.837 191 HB THR 23 HB THR 23 -10.863 -2.089 10.841 192 HG1 THR 23 HG1 THR 23 -12.542 -0.805 11.251 193 HG21 THR 23 3HG2 THR 23 -8.535 -1.304 11.098 194 HG22 THR 23 1HG2 THR 23 -9.488 -0.932 12.537 195 HG23 THR 23 2HG2 THR 23 -9.114 0.342 11.376 196 H THR 24 H THR 24 -10.528 -2.972 8.064 197 HA THR 24 HA THR 24 -13.132 -2.666 6.704 198 HB THR 24 HB THR 24 -12.235 -4.336 5.084 199 HG1 THR 24 HG1 THR 24 -9.634 -4.210 6.018 200 HG21 THR 24 3HG2 THR 24 -11.748 -1.959 4.580 201 HG22 THR 24 1HG2 THR 24 -10.435 -3.008 4.037 202 HG23 THR 24 2HG2 THR 24 -10.254 -2.065 5.517 203 HA PRO 25 HA PRO 25 -14.527 -6.414 8.979 204 HB2 PRO 25 2HB PRO 25 -15.579 -7.549 6.416 205 HB3 PRO 25 3HB PRO 25 -16.449 -7.139 7.910 206 HG2 PRO 25 2HG PRO 25 -16.750 -5.640 5.718 207 HG3 PRO 25 3HG PRO 25 -16.688 -4.890 7.332 208 HD2 PRO 25 2HD PRO 25 -14.487 -5.097 5.268 209 HD3 PRO 25 3HD PRO 25 -14.984 -3.693 6.246 210 H ASN 26 H ASN 26 -12.244 -6.460 6.471 211 HA ASN 26 HA ASN 26 -11.699 -9.299 6.380 212 HB2 ASN 26 2HB ASN 26 -10.195 -6.932 5.192 213 HB3 ASN 26 3HB ASN 26 -9.858 -8.627 4.841 214 HD21 ASN 26 1HD2 ASN 26 -11.369 -9.818 3.591 215 HD22 ASN 26 2HD2 ASN 26 -12.567 -9.030 2.622 216 H GLU 27 H GLU 27 -9.687 -10.246 6.963 217 HA GLU 27 HA GLU 27 -8.831 -9.360 9.620 218 HB2 GLU 27 2HB GLU 27 -7.961 -11.655 9.865 219 HB3 GLU 27 3HB GLU 27 -9.638 -11.663 9.335 220 HG2 GLU 27 2HG GLU 27 -8.914 -12.128 7.021 221 HG3 GLU 27 3HG GLU 27 -7.231 -12.118 7.542 222 H ASN 28 H ASN 28 -7.454 -9.776 6.406 223 HA ASN 28 HA ASN 28 -4.753 -9.047 7.414 224 HB2 ASN 28 2HB ASN 28 -5.427 -10.930 5.111 225 HB3 ASN 28 3HB ASN 28 -3.804 -10.399 5.529 226 HD21 ASN 28 1HD2 ASN 28 -4.416 -10.626 8.490 227 HD22 ASN 28 2HD2 ASN 28 -4.379 -12.318 8.800 228 H ALA 29 H ALA 29 -7.285 -7.817 5.765 229 HA ALA 29 HA ALA 29 -5.587 -6.220 3.926 230 HB1 ALA 29 3HB ALA 29 -8.575 -6.737 3.749 231 HB2 ALA 29 1HB ALA 29 -7.332 -7.490 2.747 232 HB3 ALA 29 2HB ALA 29 -7.623 -5.754 2.634 233 H LEU 30 H LEU 30 -5.522 -4.035 4.190 234 HA LEU 30 HA LEU 30 -7.464 -2.718 5.985 235 HB2 LEU 30 2HB LEU 30 -5.427 -3.194 7.309 236 HB3 LEU 30 3HB LEU 30 -4.451 -2.334 6.131 237 HG LEU 30 HG LEU 30 -5.646 -0.205 6.723 238 HD11 LEU 30 1HD1 LEU 30 -7.774 -1.135 7.485 239 HD12 LEU 30 2HD1 LEU 30 -7.059 -0.097 8.716 240 HD13 LEU 30 3HD1 LEU 30 -6.976 -1.852 8.888 241 HD21 LEU 30 3HD2 LEU 30 -4.378 -1.630 9.073 242 HD22 LEU 30 1HD2 LEU 30 -4.576 0.117 8.898 243 HD23 LEU 30 2HD2 LEU 30 -3.523 -0.764 7.793 244 H LYS 31 H LYS 31 -8.103 -0.792 5.315 245 HA LYS 31 HA LYS 31 -7.387 0.055 2.619 246 HB2 LYS 31 2HB LYS 31 -9.726 -0.419 3.269 247 HB3 LYS 31 3HB LYS 31 -9.650 0.834 4.502 248 HG2 LYS 31 2HG LYS 31 -9.419 2.550 2.753 249 HG3 LYS 31 3HG LYS 31 -9.446 1.290 1.508 250 HD2 LYS 31 2HD LYS 31 -11.717 0.604 2.309 251 HD3 LYS 31 3HD LYS 31 -11.690 1.939 3.462 252 HE2 LYS 31 2HE LYS 31 -11.630 3.539 1.636 253 HE3 LYS 31 3HE LYS 31 -11.547 2.235 0.450 254 HZ1 LYS 31 3HZ LYS 31 -13.722 1.485 1.184 255 HZ2 LYS 31 1HZ LYS 31 -13.790 3.094 0.671 256 HZ3 LYS 31 2HZ LYS 31 -13.804 2.734 2.321 257 H PHE 32 H PHE 32 -5.919 1.658 2.387 258 HA PHE 32 HA PHE 32 -5.731 3.879 4.349 259 HB2 PHE 32 2HB PHE 32 -3.733 2.906 2.240 260 HB3 PHE 32 3HB PHE 32 -3.516 4.360 3.204 261 HD1 PHE 32 HD2 PHE 32 -3.980 0.649 3.567 262 HD2 PHE 32 HD1 PHE 32 -2.379 4.231 5.277 263 HE1 PHE 32 HE2 PHE 32 -2.852 -0.676 5.306 264 HE2 PHE 32 HE1 PHE 32 -1.253 2.888 7.007 265 HZ PHE 32 HZ PHE 32 -1.487 0.441 7.020 266 H LEU 33 H LEU 33 -6.964 5.549 3.683 267 HA LEU 33 HA LEU 33 -7.346 6.044 0.782 268 HB2 LEU 33 2HB LEU 33 -9.337 5.290 2.333 269 HB3 LEU 33 3HB LEU 33 -9.301 6.934 2.937 270 HG LEU 33 HG LEU 33 -9.675 6.301 -0.029 271 HD11 LEU 33 1HD1 LEU 33 -11.491 5.224 1.217 272 HD12 LEU 33 2HD1 LEU 33 -12.080 6.575 0.258 273 HD13 LEU 33 3HD1 LEU 33 -11.875 6.754 2.007 274 HD21 LEU 33 3HD2 LEU 33 -8.989 8.608 0.472 275 HD22 LEU 33 1HD2 LEU 33 -10.354 8.779 1.574 276 HD23 LEU 33 2HD2 LEU 33 -10.634 8.555 -0.155 277 H SER 34 H SER 34 -6.837 8.047 0.043 278 HA SER 34 HA SER 34 -5.361 9.852 1.792 279 HB2 SER 34 2HB SER 34 -5.840 9.981 -1.222 280 HB3 SER 34 3HB SER 34 -4.670 10.936 -0.306 281 HG SER 34 HG SER 34 -4.398 8.250 0.130 282 H THR 35 H THR 35 -6.527 11.350 2.909 283 HA THR 35 HA THR 35 -8.606 12.960 1.542 284 HB THR 35 HB THR 35 -9.897 13.008 3.759 285 HG1 THR 35 HG1 THR 35 -8.212 12.132 5.061 286 HG21 THR 35 3HG2 THR 35 -11.061 10.862 3.436 287 HG22 THR 35 1HG2 THR 35 -9.740 10.298 2.408 288 HG23 THR 35 2HG2 THR 35 -10.747 11.650 1.887 289 H ASP 36 H ASP 36 -7.098 14.660 1.312 290 HA ASP 36 HA ASP 36 -7.079 16.568 3.410 291 HB2 ASP 36 2HB ASP 36 -5.267 15.153 4.355 292 HB3 ASP 36 3HB ASP 36 -4.372 15.276 2.844 293 H GLY 37 H GLY 37 -5.018 15.568 0.662 294 HA2 GLY 37 2HA GLY 37 -5.518 18.145 -0.687 295 HA3 GLY 37 3HA GLY 37 -3.856 17.671 -0.341 296 H GLU 38 H GLU 38 -3.225 15.452 -1.162 297 HA GLU 38 HA GLU 38 -4.218 15.165 -3.924 298 HB2 GLU 38 2HB GLU 38 -1.631 14.162 -2.647 299 HB3 GLU 38 3HB GLU 38 -2.076 13.956 -4.339 300 HG2 GLU 38 2HG GLU 38 -1.414 16.538 -2.900 301 HG3 GLU 38 3HG GLU 38 -0.520 15.777 -4.215 302 H MET 39 H MET 39 -4.099 12.961 -4.807 303 HA MET 39 HA MET 39 -4.992 10.819 -2.989 304 HB2 MET 39 2HB MET 39 -6.757 10.200 -4.587 305 HB3 MET 39 3HB MET 39 -6.994 11.851 -4.038 306 HG2 MET 39 2HG MET 39 -5.939 12.652 -6.161 307 HG3 MET 39 3HG MET 39 -5.887 10.978 -6.715 308 HE1 MET 39 3HE MET 39 -9.738 10.137 -6.779 309 HE2 MET 39 1HE MET 39 -8.641 9.902 -5.426 310 HE3 MET 39 2HE MET 39 -8.124 9.497 -7.066 311 H LEU 40 H LEU 40 -4.966 8.683 -4.264 312 HA LEU 40 HA LEU 40 -2.251 8.365 -5.155 313 HB2 LEU 40 2HB LEU 40 -4.515 6.364 -4.884 314 HB3 LEU 40 3HB LEU 40 -2.840 5.940 -5.220 315 HG LEU 40 HG LEU 40 -3.801 7.337 -2.689 316 HD11 LEU 40 1HD1 LEU 40 -4.630 5.073 -2.760 317 HD12 LEU 40 2HD1 LEU 40 -3.347 5.211 -1.561 318 HD13 LEU 40 3HD1 LEU 40 -3.016 4.453 -3.125 319 HD21 LEU 40 3HD2 LEU 40 -1.053 6.232 -3.379 320 HD22 LEU 40 1HD2 LEU 40 -1.541 6.888 -1.813 321 HD23 LEU 40 2HD2 LEU 40 -1.485 7.938 -3.226 322 H GLN 41 H GLN 41 -5.344 7.351 -6.663 323 HA GLN 41 HA GLN 41 -4.044 7.521 -9.336 324 HB2 GLN 41 2HB GLN 41 -4.343 5.180 -8.446 325 HB3 GLN 41 3HB GLN 41 -6.078 5.457 -8.368 326 HG2 GLN 41 2HG GLN 41 -6.146 5.721 -10.822 327 HG3 GLN 41 3HG GLN 41 -4.402 5.476 -10.898 328 HE21 GLN 41 1HE2 GLN 41 -6.580 3.646 -8.782 329 HE22 GLN 41 2HE2 GLN 41 -6.387 2.131 -9.586 330 H THR 42 H THR 42 -5.230 8.576 -10.920 331 HA THR 42 HA THR 42 -7.320 10.305 -10.232 332 HB THR 42 HB THR 42 -7.645 10.437 -12.852 333 HG1 THR 42 HG1 THR 42 -5.099 9.191 -12.869 334 HG21 THR 42 3HG2 THR 42 -5.619 11.819 -13.103 335 HG22 THR 42 1HG2 THR 42 -4.967 11.148 -11.605 336 HG23 THR 42 2HG2 THR 42 -6.421 12.150 -11.566 337 H ARG 43 H ARG 43 -9.496 10.223 -10.346 338 HA ARG 43 HA ARG 43 -10.819 7.754 -10.151 339 HB2 ARG 43 2HB ARG 43 -11.963 10.552 -10.496 340 HB3 ARG 43 3HB ARG 43 -12.929 9.129 -10.101 341 HG2 ARG 43 2HG ARG 43 -11.647 8.845 -8.005 342 HG3 ARG 43 3HG ARG 43 -10.692 10.276 -8.399 343 HD2 ARG 43 2HD ARG 43 -12.781 11.637 -8.350 344 HD3 ARG 43 3HD ARG 43 -13.680 10.196 -7.863 345 HE ARG 43 HE ARG 43 -11.789 10.322 -5.952 346 HH11 ARG 43 1HH1 ARG 43 -13.945 12.817 -7.215 347 HH12 ARG 43 2HH1 ARG 43 -13.993 13.693 -5.723 348 HH21 ARG 43 1HH2 ARG 43 -11.874 11.474 -4.017 349 HH22 ARG 43 2HH2 ARG 43 -12.806 12.927 -3.897 350 H GLY 44 H GLY 44 -11.840 6.528 -11.577 351 HA2 GLY 44 2HA GLY 44 -13.160 6.279 -13.638 352 HA3 GLY 44 3HA GLY 44 -12.059 7.416 -14.407 353 H SER 45 H SER 45 -10.239 5.581 -12.354 354 HA SER 45 HA SER 45 -9.343 3.746 -14.483 355 HB2 SER 45 2HB SER 45 -8.027 4.560 -11.853 356 HB3 SER 45 3HB SER 45 -7.304 3.546 -13.103 357 HG SER 45 HG SER 45 -7.916 6.294 -13.177 358 H LYS 46 H LYS 46 -8.273 1.651 -13.155 359 HA LYS 46 HA LYS 46 -10.586 0.405 -11.756 360 HB2 LYS 46 2HB LYS 46 -9.759 -1.761 -12.570 361 HB3 LYS 46 3HB LYS 46 -10.062 -0.663 -13.909 362 HG2 LYS 46 2HG LYS 46 -7.668 -0.247 -14.161 363 HG3 LYS 46 3HG LYS 46 -7.318 -1.264 -12.757 364 HD2 LYS 46 2HD LYS 46 -8.119 -3.247 -13.915 365 HD3 LYS 46 3HD LYS 46 -8.707 -2.279 -15.272 366 HE2 LYS 46 2HE LYS 46 -5.789 -2.533 -14.465 367 HE3 LYS 46 3HE LYS 46 -6.562 -3.447 -15.762 368 HZ1 LYS 46 3HZ LYS 46 -7.079 -1.312 -16.853 369 HZ2 LYS 46 1HZ LYS 46 -5.418 -1.567 -16.673 370 HZ3 LYS 46 2HZ LYS 46 -6.224 -0.495 -15.646 371 H SER 47 H SER 47 -10.061 -1.221 -10.125 372 HA SER 47 HA SER 47 -7.913 -0.415 -8.363 373 HB2 SER 47 2HB SER 47 -8.974 -2.188 -6.840 374 HB3 SER 47 3HB SER 47 -10.010 -0.836 -7.280 375 HG SER 47 HG SER 47 -9.996 -3.355 -8.587 376 H ILE 48 H ILE 48 -5.959 -1.057 -9.131 377 HA ILE 48 HA ILE 48 -5.551 -3.618 -10.475 378 HB ILE 48 HB ILE 48 -3.523 -1.417 -9.868 379 HG12 ILE 48 2HG1 ILE 48 -5.080 -1.896 -12.453 380 HG13 ILE 48 3HG1 ILE 48 -5.427 -0.619 -11.295 381 HG21 ILE 48 1HG2 ILE 48 -2.436 -3.585 -10.314 382 HG22 ILE 48 2HG2 ILE 48 -2.144 -2.469 -11.649 383 HG23 ILE 48 3HG2 ILE 48 -3.345 -3.750 -11.818 384 HD11 ILE 48 3HD1 ILE 48 -4.212 0.228 -13.204 385 HD12 ILE 48 1HD1 ILE 48 -2.883 -0.892 -12.899 386 HD13 ILE 48 2HD1 ILE 48 -3.251 0.387 -11.736 387 H VAL 49 H VAL 49 -4.892 -5.426 -9.413 388 HA VAL 49 HA VAL 49 -3.947 -5.254 -6.644 389 HB VAL 49 HB VAL 49 -4.695 -7.716 -8.289 390 HG11 VAL 49 1HG1 VAL 49 -3.094 -8.292 -6.500 391 HG12 VAL 49 2HG1 VAL 49 -4.694 -8.941 -6.133 392 HG13 VAL 49 3HG1 VAL 49 -4.122 -7.490 -5.308 393 HG21 VAL 49 3HG2 VAL 49 -6.293 -6.251 -6.152 394 HG22 VAL 49 1HG2 VAL 49 -6.776 -7.755 -6.942 395 HG23 VAL 49 2HG2 VAL 49 -6.649 -6.265 -7.882 396 H ILE 50 H ILE 50 -1.811 -4.995 -6.383 397 HA ILE 50 HA ILE 50 0.092 -5.942 -8.434 398 HB ILE 50 HB ILE 50 0.442 -3.968 -6.129 399 HG12 ILE 50 2HG1 ILE 50 0.268 -3.501 -9.140 400 HG13 ILE 50 3HG1 ILE 50 -0.939 -3.047 -7.943 401 HG21 ILE 50 1HG2 ILE 50 2.558 -5.148 -6.530 402 HG22 ILE 50 2HG2 ILE 50 2.679 -3.472 -7.062 403 HG23 ILE 50 3HG2 ILE 50 2.473 -4.757 -8.251 404 HD11 ILE 50 3HD1 ILE 50 0.316 -1.122 -8.662 405 HD12 ILE 50 1HD1 ILE 50 1.837 -1.881 -8.194 406 HD13 ILE 50 2HD1 ILE 50 0.645 -1.448 -6.962 407 H LYS 51 H LYS 51 0.882 -7.944 -7.991 408 HA LYS 51 HA LYS 51 0.923 -9.000 -5.242 409 HB2 LYS 51 2HB LYS 51 1.422 -10.379 -7.917 410 HB3 LYS 51 3HB LYS 51 1.237 -11.185 -6.361 411 HG2 LYS 51 2HG LYS 51 -1.101 -10.491 -6.226 412 HG3 LYS 51 3HG LYS 51 -0.935 -9.539 -7.706 413 HD2 LYS 51 2HD LYS 51 -0.518 -11.605 -9.000 414 HD3 LYS 51 3HD LYS 51 -0.641 -12.568 -7.523 415 HE2 LYS 51 2HE LYS 51 -2.888 -10.873 -8.666 416 HE3 LYS 51 3HE LYS 51 -2.714 -12.612 -8.913 417 HZ1 LYS 51 3HZ LYS 51 -3.069 -11.268 -6.288 418 HZ2 LYS 51 1HZ LYS 51 -2.881 -12.928 -6.520 419 HZ3 LYS 51 2HZ LYS 51 -4.248 -12.142 -7.124 420 H ASN 52 H ASN 52 2.860 -9.957 -4.331 421 HA ASN 52 HA ASN 52 5.287 -8.609 -4.910 422 HB2 ASN 52 2HB ASN 52 6.309 -9.867 -3.129 423 HB3 ASN 52 3HB ASN 52 4.659 -9.523 -2.637 424 HD21 ASN 52 1HD2 ASN 52 3.224 -11.229 -2.385 425 HD22 ASN 52 2HD2 ASN 52 3.711 -12.878 -2.401 426 H THR 53 H THR 53 3.920 -11.510 -6.179 427 HA THR 53 HA THR 53 6.373 -12.582 -7.298 428 HB THR 53 HB THR 53 4.747 -14.186 -8.450 429 HG1 THR 53 HG1 THR 53 2.874 -12.956 -8.498 430 HG21 THR 53 3HG2 THR 53 5.792 -14.816 -6.298 431 HG22 THR 53 1HG2 THR 53 4.135 -15.420 -6.401 432 HG23 THR 53 2HG2 THR 53 4.495 -13.997 -5.422 433 H ASP 54 H ASP 54 3.682 -10.570 -8.278 434 HA ASP 54 HA ASP 54 4.386 -10.561 -11.114 435 HB2 ASP 54 2HB ASP 54 2.124 -9.285 -9.520 436 HB3 ASP 54 3HB ASP 54 2.387 -8.923 -11.221 437 H GLU 55 H GLU 55 6.506 -9.754 -10.689 438 HA GLU 55 HA GLU 55 7.098 -7.400 -9.321 439 HB2 GLU 55 2HB GLU 55 8.702 -9.274 -9.823 440 HB3 GLU 55 3HB GLU 55 8.820 -8.674 -11.476 441 HG2 GLU 55 2HG GLU 55 9.577 -6.440 -10.490 442 HG3 GLU 55 3HG GLU 55 9.662 -7.245 -8.927 443 H ASN 56 H ASN 56 6.152 -7.794 -12.711 444 HA ASN 56 HA ASN 56 7.247 -5.418 -13.784 445 HB2 ASN 56 2HB ASN 56 6.368 -7.217 -15.215 446 HB3 ASN 56 3HB ASN 56 4.738 -6.943 -14.619 447 HD21 ASN 56 1HD2 ASN 56 3.956 -6.553 -16.728 448 HD22 ASN 56 2HD2 ASN 56 4.320 -5.104 -17.596 449 H LEU 57 H LEU 57 4.210 -6.043 -12.081 450 HA LEU 57 HA LEU 57 3.060 -3.443 -12.384 451 HB2 LEU 57 2HB LEU 57 2.506 -5.559 -10.267 452 HB3 LEU 57 3HB LEU 57 1.484 -4.175 -10.621 453 HG LEU 57 HG LEU 57 2.014 -6.532 -12.478 454 HD11 LEU 57 1HD1 LEU 57 0.514 -7.089 -10.621 455 HD12 LEU 57 2HD1 LEU 57 -0.353 -7.070 -12.154 456 HD13 LEU 57 3HD1 LEU 57 -0.526 -5.720 -11.027 457 HD21 LEU 57 3HD2 LEU 57 0.275 -4.091 -12.955 458 HD22 LEU 57 1HD2 LEU 57 0.389 -5.508 -14.002 459 HD23 LEU 57 2HD2 LEU 57 1.792 -4.470 -13.777 460 H ILE 58 H ILE 58 5.044 -4.986 -9.904 461 HA ILE 58 HA ILE 58 5.140 -2.939 -7.970 462 HB ILE 58 HB ILE 58 7.347 -4.956 -8.623 463 HG12 ILE 58 2HG1 ILE 58 4.989 -5.262 -6.700 464 HG13 ILE 58 3HG1 ILE 58 5.165 -6.096 -8.241 465 HG21 ILE 58 1HG2 ILE 58 8.025 -4.698 -6.256 466 HG22 ILE 58 2HG2 ILE 58 6.783 -3.464 -6.034 467 HG23 ILE 58 3HG2 ILE 58 8.131 -3.171 -7.132 468 HD11 ILE 58 3HD1 ILE 58 5.707 -7.569 -6.428 469 HD12 ILE 58 1HD1 ILE 58 6.910 -6.443 -5.806 470 HD13 ILE 58 2HD1 ILE 58 7.164 -7.240 -7.362 471 H ASN 59 H ASN 59 7.287 -3.646 -10.723 472 HA ASN 59 HA ASN 59 9.162 -1.617 -10.470 473 HB2 ASN 59 2HB ASN 59 8.167 -3.069 -12.965 474 HB3 ASN 59 3HB ASN 59 9.574 -2.006 -12.959 475 HD21 ASN 59 1HD2 ASN 59 9.347 -4.914 -13.512 476 HD22 ASN 59 2HD2 ASN 59 10.459 -5.675 -12.429 477 H HIS 60 H HIS 60 5.919 -1.536 -11.843 478 HA HIS 60 HA HIS 60 6.105 1.000 -13.167 479 HB2 HIS 60 2HB HIS 60 3.667 -0.535 -12.167 480 HB3 HIS 60 3HB HIS 60 3.582 0.916 -13.160 481 HD1 HIS 60 HD1 HIS 60 2.379 -1.795 -14.039 482 HD2 HIS 60 HD2 HIS 60 6.112 -0.376 -15.193 483 HE1 HIS 60 HE1 HIS 60 2.915 -2.967 -16.192 484 HE2 HIS 60 HE2 HIS 60 5.233 -2.199 -16.783 485 H SER 61 H SER 61 5.332 0.009 -9.882 486 HA SER 61 HA SER 61 4.704 2.803 -9.099 487 HB2 SER 61 2HB SER 61 2.810 1.216 -8.774 488 HB3 SER 61 3HB SER 61 3.841 0.195 -7.772 489 HG SER 61 HG SER 61 3.213 2.906 -7.204 490 H LYS 62 H LYS 62 6.644 3.607 -8.422 491 HA LYS 62 HA LYS 62 8.705 2.330 -7.054 492 HB2 LYS 62 2HB LYS 62 8.921 4.568 -8.089 493 HB3 LYS 62 3HB LYS 62 7.824 5.246 -6.894 494 HG2 LYS 62 2HG LYS 62 10.183 5.810 -6.414 495 HG3 LYS 62 3HG LYS 62 9.461 4.862 -5.112 496 HD2 LYS 62 2HD LYS 62 11.759 4.114 -5.584 497 HD3 LYS 62 3HD LYS 62 10.600 2.832 -5.944 498 HE2 LYS 62 2HE LYS 62 10.777 3.331 -8.345 499 HE3 LYS 62 3HE LYS 62 11.876 4.671 -8.006 500 HZ1 LYS 62 3HZ LYS 62 12.400 1.815 -7.394 501 HZ2 LYS 62 1HZ LYS 62 13.448 3.098 -7.084 502 HZ3 LYS 62 2HZ LYS 62 13.068 2.685 -8.679 503 H LEU 63 H LEU 63 5.688 3.663 -5.894 504 HA LEU 63 HA LEU 63 6.118 3.679 -3.112 505 HB2 LEU 63 2HB LEU 63 4.239 4.823 -4.280 506 HB3 LEU 63 3HB LEU 63 3.527 3.263 -4.659 507 HG LEU 63 HG LEU 63 3.196 2.835 -2.209 508 HD11 LEU 63 1HD1 LEU 63 3.490 4.645 -0.585 509 HD12 LEU 63 2HD1 LEU 63 4.244 5.649 -1.824 510 HD13 LEU 63 3HD1 LEU 63 5.023 4.153 -1.300 511 HD21 LEU 63 3HD2 LEU 63 1.358 4.412 -1.859 512 HD22 LEU 63 1HD2 LEU 63 1.369 3.812 -3.516 513 HD23 LEU 63 2HD2 LEU 63 1.964 5.436 -3.163 514 H ALA 64 H ALA 64 4.832 1.172 -5.336 515 HA ALA 64 HA ALA 64 4.166 -0.800 -3.437 516 HB1 ALA 64 3HB ALA 64 3.407 -0.873 -5.771 517 HB2 ALA 64 1HB ALA 64 4.236 -2.369 -5.336 518 HB3 ALA 64 2HB ALA 64 5.062 -1.153 -6.320 519 H GLN 65 H GLN 65 7.129 -0.170 -5.272 520 HA GLN 65 HA GLN 65 8.727 -2.305 -4.458 521 HB2 GLN 65 2HB GLN 65 9.631 0.541 -5.102 522 HB3 GLN 65 3HB GLN 65 10.663 -0.892 -5.124 523 HG2 GLN 65 2HG GLN 65 9.394 -1.827 -6.982 524 HG3 GLN 65 3HG GLN 65 8.238 -0.502 -6.903 525 HE21 GLN 65 1HE2 GLN 65 8.540 0.231 -8.967 526 HE22 GLN 65 2HE2 GLN 65 10.023 0.905 -9.544 527 H GLN 66 H GLN 66 8.273 0.892 -2.950 528 HA GLN 66 HA GLN 66 10.096 0.530 -0.809 529 HB2 GLN 66 2HB GLN 66 7.736 2.429 -1.118 530 HB3 GLN 66 3HB GLN 66 8.914 2.524 0.186 531 HG2 GLN 66 2HG GLN 66 9.508 2.879 -2.767 532 HG3 GLN 66 3HG GLN 66 9.376 4.170 -1.577 533 HE21 GLN 66 1HE2 GLN 66 10.837 2.833 0.520 534 HE22 GLN 66 2HE2 GLN 66 12.491 2.770 0.028 535 H ILE 67 H ILE 67 6.594 -0.152 -1.131 536 HA ILE 67 HA ILE 67 6.086 -0.656 1.619 537 HB ILE 67 HB ILE 67 4.581 -1.462 -0.907 538 HG12 ILE 67 2HG1 ILE 67 3.969 0.676 1.192 539 HG13 ILE 67 3HG1 ILE 67 4.665 0.986 -0.392 540 HG21 ILE 67 1HG2 ILE 67 2.640 -2.035 0.533 541 HG22 ILE 67 2HG2 ILE 67 3.650 -1.818 1.962 542 HG23 ILE 67 3HG2 ILE 67 4.012 -3.110 0.816 543 HD11 ILE 67 3HD1 ILE 67 2.325 1.545 -0.377 544 HD12 ILE 67 1HD1 ILE 67 1.896 -0.079 0.161 545 HD13 ILE 67 2HD1 ILE 67 2.596 0.166 -1.441 546 H PHE 68 H PHE 68 6.713 -2.890 -1.138 547 HA PHE 68 HA PHE 68 6.686 -5.274 0.403 548 HB2 PHE 68 2HB PHE 68 7.907 -4.683 -2.327 549 HB3 PHE 68 3HB PHE 68 7.888 -6.290 -1.609 550 HD1 PHE 68 HD1 PHE 68 5.414 -7.027 -0.728 551 HD2 PHE 68 HD2 PHE 68 6.184 -4.239 -3.888 552 HE1 PHE 68 HE1 PHE 68 3.182 -7.466 -1.678 553 HE2 PHE 68 HE2 PHE 68 3.949 -4.685 -4.818 554 HZ PHE 68 HZ PHE 68 2.450 -6.298 -3.718 555 H LEU 69 H LEU 69 9.214 -2.923 -0.306 556 HA LEU 69 HA LEU 69 11.444 -4.495 0.528 557 HB2 LEU 69 2HB LEU 69 11.624 -2.545 -0.990 558 HB3 LEU 69 3HB LEU 69 11.136 -1.481 0.315 559 HG LEU 69 HG LEU 69 13.249 -2.051 1.548 560 HD11 LEU 69 1HD1 LEU 69 13.959 -3.624 -0.946 561 HD12 LEU 69 2HD1 LEU 69 13.657 -4.282 0.666 562 HD13 LEU 69 3HD1 LEU 69 15.056 -3.249 0.387 563 HD21 LEU 69 3HD2 LEU 69 14.778 -0.771 0.120 564 HD22 LEU 69 1HD2 LEU 69 13.168 -0.050 0.118 565 HD23 LEU 69 2HD2 LEU 69 13.710 -1.005 -1.266 566 H GLN 70 H GLN 70 9.555 -1.912 2.139 567 HA GLN 70 HA GLN 70 11.125 -2.089 4.592 568 HB2 GLN 70 2HB GLN 70 8.801 -0.283 3.787 569 HB3 GLN 70 3HB GLN 70 9.642 -0.173 5.336 570 HG2 GLN 70 2HG GLN 70 11.731 0.416 4.222 571 HG3 GLN 70 3HG GLN 70 10.994 0.166 2.637 572 HE21 GLN 70 1HE2 GLN 70 11.593 2.311 2.086 573 HE22 GLN 70 2HE2 GLN 70 10.694 3.669 2.667 574 H CYS 71 H CYS 71 7.977 -3.122 3.436 575 HA CYS 71 HA CYS 71 7.390 -4.342 6.072 576 HB2 CYS 71 2HB CYS 71 5.377 -3.411 3.975 577 HB3 CYS 71 3HB CYS 71 5.004 -4.121 5.544 578 HG CYS 71 HG CYS 71 6.818 -1.642 6.342 579 HA PRO 72 HA PRO 72 8.504 -7.575 2.940 580 HB2 PRO 72 2HB PRO 72 9.444 -9.449 4.723 581 HB3 PRO 72 3HB PRO 72 10.397 -8.041 4.215 582 HG2 PRO 72 2HG PRO 72 8.762 -8.390 6.717 583 HG3 PRO 72 3HG PRO 72 10.418 -7.761 6.536 584 HD2 PRO 72 2HD PRO 72 8.298 -6.094 6.797 585 HD3 PRO 72 3HD PRO 72 9.689 -5.673 5.771 586 H GLY 73 H GLY 73 6.253 -7.698 5.557 587 HA2 GLY 73 2HA GLY 73 5.279 -10.370 5.164 588 HA3 GLY 73 3HA GLY 73 4.567 -9.122 6.171 589 H VAL 74 H VAL 74 4.743 -7.478 3.414 590 HA VAL 74 HA VAL 74 1.938 -7.755 2.939 591 HB VAL 74 HB VAL 74 4.041 -6.151 1.408 592 HG11 VAL 74 1HG1 VAL 74 1.009 -5.941 1.314 593 HG12 VAL 74 2HG1 VAL 74 2.045 -6.528 0.010 594 HG13 VAL 74 3HG1 VAL 74 2.137 -4.840 0.518 595 HG21 VAL 74 3HG2 VAL 74 3.843 -5.456 3.777 596 HG22 VAL 74 1HG2 VAL 74 2.098 -5.265 3.579 597 HG23 VAL 74 2HG2 VAL 74 3.207 -4.212 2.699 598 H GLU 75 H GLU 75 0.964 -9.093 1.619 599 HA GLU 75 HA GLU 75 2.329 -10.925 -0.154 600 HB2 GLU 75 2HB GLU 75 -0.656 -10.512 0.372 601 HB3 GLU 75 3HB GLU 75 0.067 -11.906 -0.425 602 HG2 GLU 75 2HG GLU 75 0.455 -11.111 2.473 603 HG3 GLU 75 3HG GLU 75 -0.586 -12.411 1.893 604 H SER 76 H SER 76 -0.110 -8.363 -0.392 605 HA SER 76 HA SER 76 0.552 -7.717 -3.122 606 HB2 SER 76 2HB SER 76 -1.767 -8.228 -4.003 607 HB3 SER 76 3HB SER 76 -0.854 -9.673 -3.572 608 HG SER 76 HG SER 76 -2.072 -9.910 -1.743 609 H LEU 77 H LEU 77 -0.794 -5.987 -3.948 610 HA LEU 77 HA LEU 77 -1.926 -4.195 -1.881 611 HB2 LEU 77 2HB LEU 77 -0.537 -3.421 -4.490 612 HB3 LEU 77 3HB LEU 77 -1.095 -2.324 -3.234 613 HG LEU 77 HG LEU 77 1.213 -4.296 -2.977 614 HD11 LEU 77 1HD1 LEU 77 2.652 -2.327 -2.913 615 HD12 LEU 77 2HD1 LEU 77 1.256 -1.275 -3.181 616 HD13 LEU 77 3HD1 LEU 77 1.760 -2.419 -4.431 617 HD21 LEU 77 3HD2 LEU 77 1.680 -3.236 -0.822 618 HD22 LEU 77 1HD2 LEU 77 0.092 -4.000 -0.827 619 HD23 LEU 77 2HD2 LEU 77 0.226 -2.246 -0.977 620 H MET 78 H MET 78 -3.704 -2.803 -2.737 621 HA MET 78 HA MET 78 -4.614 -3.397 -5.482 622 HB2 MET 78 2HB MET 78 -6.147 -4.635 -3.960 623 HB3 MET 78 3HB MET 78 -6.466 -3.156 -3.067 624 HG2 MET 78 2HG MET 78 -7.449 -2.160 -5.137 625 HG3 MET 78 3HG MET 78 -7.207 -3.703 -5.952 626 HE1 MET 78 3HE MET 78 -8.011 -5.877 -3.802 627 HE2 MET 78 1HE MET 78 -8.637 -5.890 -5.452 628 HE3 MET 78 2HE MET 78 -9.745 -6.029 -4.088 629 H ILE 79 H ILE 79 -4.239 -1.516 -6.490 630 HA ILE 79 HA ILE 79 -4.248 1.028 -5.086 631 HB ILE 79 HB ILE 79 -3.658 0.350 -8.011 632 HG12 ILE 79 2HG1 ILE 79 -1.963 -0.530 -6.327 633 HG13 ILE 79 3HG1 ILE 79 -1.303 0.578 -7.520 634 HG21 ILE 79 1HG2 ILE 79 -3.308 3.001 -6.548 635 HG22 ILE 79 2HG2 ILE 79 -4.451 2.660 -7.854 636 HG23 ILE 79 3HG2 ILE 79 -2.717 2.652 -8.177 637 HD11 ILE 79 3HD1 ILE 79 -0.386 0.935 -5.299 638 HD12 ILE 79 1HD1 ILE 79 -1.993 1.290 -4.674 639 HD13 ILE 79 2HD1 ILE 79 -1.251 2.363 -5.867 640 H GLY 80 H GLY 80 -6.304 1.650 -4.674 641 HA2 GLY 80 2HA GLY 80 -8.421 1.539 -6.715 642 HA3 GLY 80 3HA GLY 80 -8.584 2.100 -5.049 643 H ASP 81 H ASP 81 -9.757 3.788 -6.513 644 HA ASP 81 HA ASP 81 -8.205 5.750 -7.865 645 HB2 ASP 81 2HB ASP 81 -10.950 6.181 -6.590 646 HB3 ASP 81 3HB ASP 81 -10.226 7.134 -7.885 647 H ASP 82 H ASP 82 -9.892 5.982 -4.701 648 HA ASP 82 HA ASP 82 -8.104 8.165 -3.866 649 HB2 ASP 82 2HB ASP 82 -10.693 7.068 -2.690 650 HB3 ASP 82 3HB ASP 82 -9.771 8.376 -1.964 651 H PHE 83 H PHE 83 -8.489 4.768 -3.383 652 HA PHE 83 HA PHE 83 -7.108 4.872 -0.753 653 HB2 PHE 83 2HB PHE 83 -8.413 2.934 -0.021 654 HB3 PHE 83 3HB PHE 83 -9.473 4.262 -0.465 655 HD1 PHE 83 HD2 PHE 83 -10.695 4.163 -2.709 656 HD2 PHE 83 HD1 PHE 83 -8.626 0.786 -1.066 657 HE1 PHE 83 HE2 PHE 83 -11.955 2.660 -4.194 658 HE2 PHE 83 HE1 PHE 83 -9.894 -0.703 -2.556 659 HZ PHE 83 HZ PHE 83 -11.554 0.230 -4.118 660 H LEU 84 H LEU 84 -6.111 2.787 -0.129 661 HA LEU 84 HA LEU 84 -5.084 1.080 -2.275 662 HB2 LEU 84 2HB LEU 84 -3.331 2.709 -2.090 663 HB3 LEU 84 3HB LEU 84 -3.405 2.726 -0.338 664 HG LEU 84 HG LEU 84 -2.340 0.509 -0.236 665 HD11 LEU 84 1HD1 LEU 84 -2.284 0.542 -3.258 666 HD12 LEU 84 2HD1 LEU 84 -3.234 -0.536 -2.238 667 HD13 LEU 84 3HD1 LEU 84 -1.475 -0.638 -2.223 668 HD21 LEU 84 3HD2 LEU 84 -0.814 2.390 -2.061 669 HD22 LEU 84 1HD2 LEU 84 -0.118 1.113 -1.057 670 HD23 LEU 84 2HD2 LEU 84 -0.904 2.496 -0.300 671 H THR 85 H THR 85 -5.481 -0.921 -1.634 672 HA THR 85 HA THR 85 -6.023 -1.517 1.192 673 HB THR 85 HB THR 85 -6.667 -3.102 -1.326 674 HG1 THR 85 HG1 THR 85 -7.779 -0.932 -0.547 675 HG21 THR 85 3HG2 THR 85 -6.516 -4.601 0.634 676 HG22 THR 85 1HG2 THR 85 -8.202 -4.409 0.132 677 HG23 THR 85 2HG2 THR 85 -7.594 -3.536 1.539 678 H ILE 86 H ILE 86 -4.236 -2.188 2.222 679 HA ILE 86 HA ILE 86 -2.085 -3.628 0.871 680 HB ILE 86 HB ILE 86 -2.298 -2.820 3.809 681 HG12 ILE 86 2HG1 ILE 86 -2.435 -0.813 2.320 682 HG13 ILE 86 3HG1 ILE 86 -0.978 -0.828 3.304 683 HG21 ILE 86 1HG2 ILE 86 0.123 -3.609 2.139 684 HG22 ILE 86 2HG2 ILE 86 -0.630 -4.578 3.409 685 HG23 ILE 86 3HG2 ILE 86 0.175 -3.061 3.816 686 HD11 ILE 86 3HD1 ILE 86 -0.521 -0.046 1.084 687 HD12 ILE 86 1HD1 ILE 86 -1.161 -1.530 0.384 688 HD13 ILE 86 2HD1 ILE 86 0.311 -1.574 1.360 689 H ASN 87 H ASN 87 -2.064 -5.789 0.869 690 HA ASN 87 HA ASN 87 -3.559 -7.355 2.899 691 HB2 ASN 87 2HB ASN 87 -2.593 -8.279 0.141 692 HB3 ASN 87 3HB ASN 87 -3.608 -9.187 1.261 693 HD21 ASN 87 1HD2 ASN 87 -3.508 -6.515 -0.995 694 HD22 ASN 87 2HD2 ASN 87 -5.219 -6.332 -1.158 695 H LYS 88 H LYS 88 -2.333 -8.562 4.278 696 HA LYS 88 HA LYS 88 0.526 -9.021 3.647 697 HB2 LYS 88 2HB LYS 88 1.347 -8.013 5.559 698 HB3 LYS 88 3HB LYS 88 -0.047 -6.983 5.300 699 HG2 LYS 88 2HG LYS 88 0.151 -9.267 7.292 700 HG3 LYS 88 3HG LYS 88 0.231 -7.552 7.675 701 HD2 LYS 88 2HD LYS 88 -2.101 -7.258 7.028 702 HD3 LYS 88 3HD LYS 88 -2.203 -8.922 6.463 703 HE2 LYS 88 2HE LYS 88 -3.278 -8.692 8.644 704 HE3 LYS 88 3HE LYS 88 -1.852 -9.718 8.777 705 HZ1 LYS 88 3HZ LYS 88 -2.047 -8.145 10.608 706 HZ2 LYS 88 1HZ LYS 88 -1.973 -6.844 9.529 707 HZ3 LYS 88 2HZ LYS 88 -0.639 -7.865 9.716 708 H ASP 89 H ASP 89 1.496 -10.638 5.264 709 HA ASP 89 HA ASP 89 -0.230 -12.930 5.590 710 HB2 ASP 89 2HB ASP 89 2.235 -13.043 4.920 711 HB3 ASP 89 3HB ASP 89 2.640 -12.618 6.580 712 H ARG 90 H ARG 90 -0.877 -13.799 7.555 713 HA ARG 90 HA ARG 90 -1.674 -11.879 9.467 714 HB2 ARG 90 2HB ARG 90 -2.812 -13.745 10.569 715 HB3 ARG 90 3HB ARG 90 -3.064 -13.769 8.829 716 HG2 ARG 90 2HG ARG 90 -1.210 -15.526 8.694 717 HG3 ARG 90 3HG ARG 90 -1.288 -15.616 10.459 718 HD2 ARG 90 2HD ARG 90 -2.650 -17.386 9.420 719 HD3 ARG 90 3HD ARG 90 -3.671 -16.258 10.321 720 HE ARG 90 HE ARG 90 -3.324 -16.126 7.374 721 HH11 ARG 90 1HH1 ARG 90 -5.461 -16.054 10.167 722 HH12 ARG 90 2HH1 ARG 90 -6.874 -15.713 9.224 723 HH21 ARG 90 1HH2 ARG 90 -5.169 -15.635 6.166 724 HH22 ARG 90 2HH2 ARG 90 -6.705 -15.477 6.951 725 H MET 91 H MET 91 1.279 -13.649 9.340 726 HA MET 91 HA MET 91 1.762 -13.744 12.184 727 HB2 MET 91 2HB MET 91 4.050 -14.375 11.645 728 HB3 MET 91 3HB MET 91 2.951 -15.272 10.609 729 HG2 MET 91 2HG MET 91 3.509 -13.928 8.706 730 HG3 MET 91 3HG MET 91 4.386 -12.767 9.698 731 HE1 MET 91 3HE MET 91 7.573 -14.779 10.715 732 HE2 MET 91 1HE MET 91 6.084 -14.642 11.647 733 HE3 MET 91 2HE MET 91 6.734 -13.230 10.808 734 H VAL 92 H VAL 92 2.090 -11.285 9.709 735 HA VAL 92 HA VAL 92 3.898 -9.621 11.352 736 HB VAL 92 HB VAL 92 3.013 -9.154 8.458 737 HG11 VAL 92 1HG1 VAL 92 5.232 -7.856 10.093 738 HG12 VAL 92 2HG1 VAL 92 3.715 -7.086 9.616 739 HG13 VAL 92 3HG1 VAL 92 4.897 -7.544 8.387 740 HG21 VAL 92 3HG2 VAL 92 5.274 -9.942 7.798 741 HG22 VAL 92 1HG2 VAL 92 4.331 -11.224 8.565 742 HG23 VAL 92 2HG2 VAL 92 5.599 -10.394 9.470 743 H HIS 93 H HIS 93 3.113 -7.864 12.361 744 HA HIS 93 HA HIS 93 0.209 -7.418 12.276 745 HB2 HIS 93 2HB HIS 93 2.288 -6.540 14.330 746 HB3 HIS 93 3HB HIS 93 0.546 -6.334 14.487 747 HD1 HIS 93 HD1 HIS 93 -0.873 -8.454 15.007 748 HD2 HIS 93 HD2 HIS 93 3.217 -9.159 14.840 749 HE1 HIS 93 HE1 HIS 93 -0.544 -10.784 15.871 750 HE2 HIS 93 HE2 HIS 93 1.936 -11.153 15.830 751 H TRP 94 H TRP 94 -0.661 -5.301 12.335 752 HA TRP 94 HA TRP 94 0.414 -3.524 10.390 753 HB2 TRP 94 2HB TRP 94 -1.960 -3.220 12.267 754 HB3 TRP 94 3HB TRP 94 -1.590 -2.111 10.952 755 HD1 TRP 94 HD1 TRP 94 -3.483 -5.248 11.646 756 HE1 TRP 94 HE1 TRP 94 -4.381 -6.246 9.449 757 HE3 TRP 94 HE3 TRP 94 -0.791 -2.446 8.309 758 HZ2 TRP 94 HZ2 TRP 94 -3.987 -5.904 6.675 759 HZ3 TRP 94 HZ3 TRP 94 -1.100 -2.855 5.902 760 HH2 TRP 94 HH2 TRP 94 -2.667 -4.549 5.105 761 H ASN 95 H ASN 95 0.929 -3.736 13.761 762 HA ASN 95 HA ASN 95 1.434 -1.168 14.640 763 HB2 ASN 95 2HB ASN 95 2.978 -3.724 15.249 764 HB3 ASN 95 3HB ASN 95 3.164 -2.228 16.163 765 HD21 ASN 95 1HD2 ASN 95 1.498 -1.584 17.566 766 HD22 ASN 95 2HD2 ASN 95 0.255 -2.676 18.059 767 H SER 96 H SER 96 3.393 -3.181 12.515 768 HA SER 96 HA SER 96 5.627 -1.275 12.517 769 HB2 SER 96 2HB SER 96 6.063 -3.728 12.824 770 HB3 SER 96 3HB SER 96 5.443 -4.017 11.199 771 HG SER 96 HG SER 96 7.254 -3.318 10.403 772 H ILE 97 H ILE 97 2.958 -2.388 10.528 773 HA ILE 97 HA ILE 97 4.232 -1.832 7.982 774 HB ILE 97 HB ILE 97 1.387 -2.748 8.620 775 HG12 ILE 97 2HG1 ILE 97 3.786 -4.405 7.722 776 HG13 ILE 97 3HG1 ILE 97 3.128 -4.386 9.354 777 HG21 ILE 97 1HG2 ILE 97 1.248 -3.436 6.250 778 HG22 ILE 97 2HG2 ILE 97 2.851 -2.757 5.961 779 HG23 ILE 97 3HG2 ILE 97 1.513 -1.696 6.400 780 HD11 ILE 97 3HD1 ILE 97 1.021 -5.323 8.488 781 HD12 ILE 97 1HD1 ILE 97 2.413 -6.360 8.182 782 HD13 ILE 97 2HD1 ILE 97 1.734 -5.395 6.873 783 H LYS 98 H LYS 98 1.412 -0.601 9.838 784 HA LYS 98 HA LYS 98 0.398 1.181 7.972 785 HB2 LYS 98 2HB LYS 98 0.197 1.336 10.993 786 HB3 LYS 98 3HB LYS 98 -0.715 2.372 9.899 787 HG2 LYS 98 2HG LYS 98 -1.814 0.405 8.939 788 HG3 LYS 98 3HG LYS 98 -0.903 -0.644 10.036 789 HD2 LYS 98 2HD LYS 98 -3.150 -0.274 10.935 790 HD3 LYS 98 3HD LYS 98 -1.964 0.506 11.983 791 HE2 LYS 98 2HE LYS 98 -2.495 2.693 10.960 792 HE3 LYS 98 3HE LYS 98 -3.651 1.913 9.880 793 HZ1 LYS 98 3HZ LYS 98 -3.847 2.001 12.843 794 HZ2 LYS 98 1HZ LYS 98 -4.960 1.272 11.803 795 HZ3 LYS 98 2HZ LYS 98 -4.741 2.946 11.765 796 HA PRO 99 HA PRO 99 2.582 4.977 10.192 797 HB2 PRO 99 2HB PRO 99 5.029 4.512 11.449 798 HB3 PRO 99 3HB PRO 99 3.474 4.540 12.298 799 HG2 PRO 99 2HG PRO 99 5.027 2.168 11.309 800 HG3 PRO 99 3HG PRO 99 4.202 2.394 12.869 801 HD2 PRO 99 2HD PRO 99 3.062 0.941 10.926 802 HD3 PRO 99 3HD PRO 99 2.077 1.998 11.961 803 H GLU 100 H GLU 100 4.741 2.420 8.986 804 HA GLU 100 HA GLU 100 6.572 4.052 7.587 805 HB2 GLU 100 2HB GLU 100 5.839 1.130 7.093 806 HB3 GLU 100 3HB GLU 100 7.241 1.959 6.416 807 HG2 GLU 100 2HG GLU 100 8.070 2.372 8.755 808 HG3 GLU 100 3HG GLU 100 6.722 1.412 9.359 809 H ILE 101 H ILE 101 3.605 2.362 6.548 810 HA ILE 101 HA ILE 101 3.764 3.176 3.821 811 HB ILE 101 HB ILE 101 1.536 1.916 5.470 812 HG12 ILE 101 2HG1 ILE 101 3.407 0.866 3.299 813 HG13 ILE 101 3HG1 ILE 101 3.432 0.441 5.005 814 HG21 ILE 101 1HG2 ILE 101 0.242 1.520 3.409 815 HG22 ILE 101 2HG2 ILE 101 1.401 2.481 2.491 816 HG23 ILE 101 3HG2 ILE 101 0.408 3.250 3.729 817 HD11 ILE 101 3HD1 ILE 101 1.229 -0.645 4.715 818 HD12 ILE 101 1HD1 ILE 101 2.514 -1.359 3.742 819 HD13 ILE 101 2HD1 ILE 101 1.325 -0.301 2.985 820 H ILE 102 H ILE 102 2.208 4.655 6.690 821 HA ILE 102 HA ILE 102 0.659 6.610 5.337 822 HB ILE 102 HB ILE 102 1.987 6.815 8.086 823 HG12 ILE 102 2HG1 ILE 102 0.401 4.895 7.931 824 HG13 ILE 102 3HG1 ILE 102 -0.180 6.120 9.045 825 HG21 ILE 102 1HG2 ILE 102 0.309 8.580 8.582 826 HG22 ILE 102 2HG2 ILE 102 -0.261 8.498 6.915 827 HG23 ILE 102 3HG2 ILE 102 1.381 9.045 7.257 828 HD11 ILE 102 3HD1 ILE 102 -1.967 5.177 7.716 829 HD12 ILE 102 1HD1 ILE 102 -1.165 5.671 6.228 830 HD13 ILE 102 2HD1 ILE 102 -1.773 6.892 7.352 831 H ASP 103 H ASP 103 4.005 6.543 6.535 832 HA ASP 103 HA ASP 103 4.824 9.154 5.850 833 HB2 ASP 103 2HB ASP 103 6.098 7.678 7.392 834 HB3 ASP 103 3HB ASP 103 6.473 6.589 6.065 835 H LEU 104 H LEU 104 5.148 6.055 4.100 836 HA LEU 104 HA LEU 104 6.540 6.970 1.844 837 HB2 LEU 104 2HB LEU 104 4.722 4.553 2.196 838 HB3 LEU 104 3HB LEU 104 5.728 4.810 0.779 839 HG LEU 104 HG LEU 104 6.778 4.432 3.611 840 HD11 LEU 104 1HD1 LEU 104 6.774 2.472 1.294 841 HD12 LEU 104 2HD1 LEU 104 5.785 2.366 2.753 842 HD13 LEU 104 3HD1 LEU 104 7.538 2.222 2.868 843 HD21 LEU 104 3HD2 LEU 104 8.292 4.619 0.991 844 HD22 LEU 104 1HD2 LEU 104 8.988 4.261 2.574 845 HD23 LEU 104 2HD2 LEU 104 8.263 5.837 2.272 846 H LEU 105 H LEU 105 3.055 6.598 2.434 847 HA LEU 105 HA LEU 105 2.145 7.328 -0.137 848 HB2 LEU 105 2HB LEU 105 0.876 7.017 2.555 849 HB3 LEU 105 3HB LEU 105 0.023 8.077 1.449 850 HG LEU 105 HG LEU 105 -0.218 6.253 -0.190 851 HD11 LEU 105 1HD1 LEU 105 1.237 4.486 1.778 852 HD12 LEU 105 2HD1 LEU 105 1.828 5.008 0.201 853 HD13 LEU 105 3HD1 LEU 105 0.427 3.947 0.306 854 HD21 LEU 105 3HD2 LEU 105 -1.108 5.408 2.580 855 HD22 LEU 105 1HD2 LEU 105 -1.781 4.826 1.054 856 HD23 LEU 105 2HD2 LEU 105 -1.961 6.520 1.506 857 H THR 106 H THR 106 3.060 9.291 2.689 858 HA THR 106 HA THR 106 1.968 11.759 1.706 859 HB THR 106 HB THR 106 4.051 11.224 3.879 860 HG1 THR 106 HG1 THR 106 1.804 10.397 4.118 861 HG21 THR 106 3HG2 THR 106 3.500 13.483 4.735 862 HG22 THR 106 1HG2 THR 106 2.442 13.751 3.350 863 HG23 THR 106 2HG2 THR 106 4.181 13.575 3.108 864 H LYS 107 H LYS 107 5.076 10.054 1.524 865 HA LYS 107 HA LYS 107 6.653 12.119 0.376 866 HB2 LYS 107 2HB LYS 107 6.958 9.085 0.239 867 HB3 LYS 107 3HB LYS 107 8.172 10.225 -0.329 868 HG2 LYS 107 2HG LYS 107 7.227 9.953 2.538 869 HG3 LYS 107 3HG LYS 107 8.723 9.285 1.879 870 HD2 LYS 107 2HD LYS 107 9.512 11.579 1.367 871 HD3 LYS 107 3HD LYS 107 8.013 12.237 2.037 872 HE2 LYS 107 2HE LYS 107 10.128 10.672 3.558 873 HE3 LYS 107 3HE LYS 107 9.803 12.401 3.684 874 HZ1 LYS 107 3HZ LYS 107 7.612 11.901 4.554 875 HZ2 LYS 107 1HZ LYS 107 8.803 11.169 5.504 876 HZ3 LYS 107 2HZ LYS 107 7.902 10.239 4.424 877 H GLN 108 H GLN 108 4.771 9.416 -0.948 878 HA GLN 108 HA GLN 108 5.521 9.660 -3.645 879 HB2 GLN 108 2HB GLN 108 4.305 7.697 -2.362 880 HB3 GLN 108 3HB GLN 108 2.822 8.536 -2.787 881 HG2 GLN 108 2HG GLN 108 4.888 7.517 -4.764 882 HG3 GLN 108 3HG GLN 108 3.402 6.683 -4.341 883 HE21 GLN 108 1HE2 GLN 108 1.657 8.987 -4.383 884 HE22 GLN 108 2HE2 GLN 108 1.521 9.500 -6.025 885 H LEU 109 H LEU 109 2.661 10.834 -1.887 886 HA LEU 109 HA LEU 109 1.448 12.204 -4.055 887 HB2 LEU 109 2HB LEU 109 1.087 12.601 -1.064 888 HB3 LEU 109 3HB LEU 109 0.038 13.285 -2.296 889 HG LEU 109 HG LEU 109 0.356 10.343 -1.590 890 HD11 LEU 109 1HD1 LEU 109 -2.020 10.468 -0.988 891 HD12 LEU 109 2HD1 LEU 109 -2.037 12.192 -1.377 892 HD13 LEU 109 3HD1 LEU 109 -1.049 11.596 -0.041 893 HD21 LEU 109 3HD2 LEU 109 -1.334 9.862 -3.315 894 HD22 LEU 109 1HD2 LEU 109 0.159 10.493 -4.006 895 HD23 LEU 109 2HD2 LEU 109 -1.257 11.540 -3.861 896 H ALA 110 H ALA 110 4.141 13.042 -2.109 897 HA ALA 110 HA ALA 110 4.001 15.905 -2.669 898 HB1 ALA 110 3HB ALA 110 4.854 15.145 -0.488 899 HB2 ALA 110 1HB ALA 110 6.090 16.039 -1.375 900 HB3 ALA 110 2HB ALA 110 6.164 14.275 -1.287 901 H TYR 111 H TYR 111 5.368 13.019 -4.095 902 HA TYR 111 HA TYR 111 7.331 14.495 -5.721 903 HB2 TYR 111 2HB TYR 111 6.595 11.532 -5.761 904 HB3 TYR 111 3HB TYR 111 7.940 12.268 -6.622 905 HD1 TYR 111 HD1 TYR 111 9.003 14.059 -4.371 906 HD2 TYR 111 HD2 TYR 111 7.755 9.965 -4.408 907 HE1 TYR 111 HE1 TYR 111 10.503 13.572 -2.479 908 HE2 TYR 111 HE2 TYR 111 9.248 9.488 -2.521 909 HH TYR 111 HH TYR 111 11.147 10.342 -1.392 910 H GLY 112 H GLY 112 4.465 12.442 -6.194 911 HA2 GLY 112 2HA GLY 112 3.806 13.742 -8.753 912 HA3 GLY 112 3HA GLY 112 4.019 11.992 -8.709 913 H GLU 113 H GLU 113 1.651 13.611 -9.326 914 HA GLU 113 HA GLU 113 -0.170 13.486 -7.094 915 HB2 GLU 113 2HB GLU 113 -0.705 14.142 -10.021 916 HB3 GLU 113 3HB GLU 113 -1.811 14.424 -8.675 917 HG2 GLU 113 2HG GLU 113 -0.241 16.019 -7.668 918 HG3 GLU 113 3HG GLU 113 0.928 15.708 -8.949 919 H ASP 114 H ASP 114 0.382 11.604 -10.040 920 HA ASP 114 HA ASP 114 -1.560 9.572 -9.147 921 HB2 ASP 114 2HB ASP 114 -0.036 9.902 -11.769 922 HB3 ASP 114 3HB ASP 114 -0.879 8.408 -11.359 923 H VAL 115 H VAL 115 -0.969 7.604 -8.464 924 HA VAL 115 HA VAL 115 1.554 7.305 -7.218 925 HB VAL 115 HB VAL 115 -0.384 6.357 -6.135 926 HG11 VAL 115 1HG1 VAL 115 -0.771 4.548 -8.538 927 HG12 VAL 115 2HG1 VAL 115 -1.794 5.911 -8.084 928 HG13 VAL 115 3HG1 VAL 115 -1.707 4.492 -7.039 929 HG21 VAL 115 3HG2 VAL 115 0.344 4.058 -5.647 930 HG22 VAL 115 1HG2 VAL 115 1.732 5.147 -5.736 931 HG23 VAL 115 2HG2 VAL 115 1.375 4.059 -7.080 932 H ILE 116 H ILE 116 0.132 5.894 -10.146 933 HA ILE 116 HA ILE 116 2.703 4.533 -10.770 934 HB ILE 116 HB ILE 116 -0.115 3.703 -11.640 935 HG12 ILE 116 2HG1 ILE 116 1.715 2.426 -9.556 936 HG13 ILE 116 3HG1 ILE 116 0.233 3.304 -9.209 937 HG21 ILE 116 1HG2 ILE 116 1.593 3.088 -13.294 938 HG22 ILE 116 2HG2 ILE 116 0.990 1.643 -12.480 939 HG23 ILE 116 3HG2 ILE 116 2.559 2.317 -12.033 940 HD11 ILE 116 3HD1 ILE 116 -0.124 0.928 -9.032 941 HD12 ILE 116 1HD1 ILE 116 0.445 0.679 -10.684 942 HD13 ILE 116 2HD1 ILE 116 -1.049 1.571 -10.386 943 H SER 117 H SER 117 3.686 5.238 -12.642 944 HA SER 117 HA SER 117 2.562 6.977 -14.588 945 HB2 SER 117 2HB SER 117 4.789 4.899 -14.920 946 HB3 SER 117 3HB SER 117 4.452 6.228 -16.035 947 HG SER 117 HG SER 117 5.747 7.330 -14.824 948 H LYS 118 H LYS 118 0.872 6.459 -15.943 949 HA LYS 118 HA LYS 118 -0.631 4.315 -15.076 950 HB2 LYS 118 2HB LYS 118 -1.459 6.519 -16.007 951 HB3 LYS 118 3HB LYS 118 -1.227 5.846 -17.620 952 HG2 LYS 118 2HG LYS 118 -3.567 5.676 -16.867 953 HG3 LYS 118 3HG LYS 118 -2.855 4.083 -17.149 954 HD2 LYS 118 2HD LYS 118 -2.501 3.803 -14.709 955 HD3 LYS 118 3HD LYS 118 -3.169 5.414 -14.421 956 HE2 LYS 118 2HE LYS 118 -4.662 3.046 -15.596 957 HE3 LYS 118 3HE LYS 118 -4.842 3.676 -13.956 958 HZ1 LYS 118 3HZ LYS 118 -5.610 5.792 -14.953 959 HZ2 LYS 118 1HZ LYS 118 -6.614 4.488 -15.331 960 HZ3 LYS 118 2HZ LYS 118 -5.537 5.076 -16.484 961 H GLU 119 H GLU 119 0.533 2.442 -15.352 962 HA GLU 119 HA GLU 119 0.840 0.362 -16.105 963 HB2 GLU 119 2HB GLU 119 -1.493 1.058 -17.928 964 HB3 GLU 119 3HB GLU 119 -0.961 -0.570 -17.514 965 HG2 GLU 119 2HG GLU 119 -1.463 -0.114 -15.116 966 HG3 GLU 119 3HG GLU 119 -2.044 1.492 -15.558 Start of MODEL 2 1 H1 MET 1 1H MET 1 7.626 44.364 -35.833 2 H2 MET 1 2H MET 1 6.701 43.153 -36.544 3 H3 MET 1 3H MET 1 8.173 43.601 -37.233 4 HA MET 1 HA MET 1 8.352 41.512 -36.051 5 HB2 MET 1 2HB MET 1 9.843 43.881 -34.850 6 HB3 MET 1 3HB MET 1 10.252 42.210 -34.467 7 HG2 MET 1 2HG MET 1 11.738 43.099 -36.183 8 HG3 MET 1 3HG MET 1 10.762 41.783 -36.837 9 HE1 MET 1 3HE MET 1 11.153 44.147 -39.967 10 HE2 MET 1 1HE MET 1 11.337 42.500 -39.369 11 HE3 MET 1 2HE MET 1 12.374 43.786 -38.746 12 H GLY 2 H GLY 2 8.697 40.596 -33.770 13 HA2 GLY 2 2HA GLY 2 6.915 41.711 -31.717 14 HA3 GLY 2 3HA GLY 2 6.467 40.158 -32.412 15 H HIS 3 H HIS 3 7.740 41.340 -29.748 16 HA HIS 3 HA HIS 3 9.405 38.936 -29.264 17 HB2 HIS 3 2HB HIS 3 9.948 41.742 -28.168 18 HB3 HIS 3 3HB HIS 3 10.800 40.285 -27.672 19 HD1 HIS 3 HD1 HIS 3 12.840 39.660 -29.023 20 HD2 HIS 3 HD2 HIS 3 10.480 42.496 -30.934 21 HE1 HIS 3 HE1 HIS 3 14.161 40.410 -31.023 22 HE2 HIS 3 HE2 HIS 3 12.610 41.943 -32.267 23 H HIS 4 H HIS 4 7.382 38.046 -28.586 24 HA HIS 4 HA HIS 4 5.989 39.131 -26.279 25 HB2 HIS 4 2HB HIS 4 4.760 37.998 -28.141 26 HB3 HIS 4 3HB HIS 4 5.582 36.487 -27.769 27 HD1 HIS 4 HD1 HIS 4 2.766 38.673 -26.666 28 HD2 HIS 4 HD2 HIS 4 4.637 35.177 -25.413 29 HE1 HIS 4 HE1 HIS 4 1.229 37.649 -24.959 30 HE2 HIS 4 HE2 HIS 4 2.334 35.486 -24.307 31 H HIS 5 H HIS 5 6.949 38.923 -24.341 32 HA HIS 5 HA HIS 5 7.614 36.295 -23.318 33 HB2 HIS 5 2HB HIS 5 9.871 37.041 -22.415 34 HB3 HIS 5 3HB HIS 5 9.800 36.802 -24.155 35 HD1 HIS 5 HD1 HIS 5 10.080 39.505 -21.558 36 HD2 HIS 5 HD2 HIS 5 10.433 39.062 -25.676 37 HE1 HIS 5 HE1 HIS 5 11.055 41.666 -22.386 38 HE2 HIS 5 HE2 HIS 5 11.339 41.334 -24.871 39 H HIS 6 H HIS 6 5.737 36.719 -22.137 40 HA HIS 6 HA HIS 6 6.303 37.742 -19.519 41 HB2 HIS 6 2HB HIS 6 5.576 39.862 -20.621 42 HB3 HIS 6 3HB HIS 6 4.050 39.110 -21.075 43 HD1 HIS 6 HD1 HIS 6 2.336 40.237 -19.637 44 HD2 HIS 6 HD2 HIS 6 5.737 39.265 -17.459 45 HE1 HIS 6 HE1 HIS 6 1.825 40.878 -17.262 46 HE2 HIS 6 HE2 HIS 6 3.976 40.483 -16.025 47 H HIS 7 H HIS 7 5.996 35.603 -19.041 48 HA HIS 7 HA HIS 7 3.175 34.736 -18.842 49 HB2 HIS 7 2HB HIS 7 3.991 32.355 -18.968 50 HB3 HIS 7 3HB HIS 7 4.224 33.254 -20.459 51 HD1 HIS 7 HD1 HIS 7 6.049 31.353 -17.867 52 HD2 HIS 7 HD2 HIS 7 6.988 33.860 -21.047 53 HE1 HIS 7 HE1 HIS 7 8.495 31.003 -18.302 54 HE2 HIS 7 HE2 HIS 7 9.073 32.681 -20.086 55 H HIS 8 H HIS 8 2.763 35.374 -16.796 56 HA HIS 8 HA HIS 8 4.672 34.749 -14.621 57 HB2 HIS 8 2HB HIS 8 4.143 37.154 -14.868 58 HB3 HIS 8 3HB HIS 8 2.420 36.812 -14.727 59 HD1 HIS 8 HD1 HIS 8 1.534 37.221 -12.406 60 HD2 HIS 8 HD2 HIS 8 5.568 36.198 -12.362 61 HE1 HIS 8 HE1 HIS 8 2.244 37.336 -9.992 62 HE2 HIS 8 HE2 HIS 8 4.620 36.515 -9.986 63 H SER 9 H SER 9 4.145 32.910 -13.617 64 HA SER 9 HA SER 9 1.316 32.366 -12.892 65 HB2 SER 9 2HB SER 9 2.302 30.710 -14.545 66 HB3 SER 9 3HB SER 9 3.494 30.269 -13.320 67 HG SER 9 HG SER 9 0.693 29.916 -13.289 68 H HIS 10 H HIS 10 1.108 31.126 -10.819 69 HA HIS 10 HA HIS 10 3.356 31.218 -8.956 70 HB2 HIS 10 2HB HIS 10 2.267 32.575 -7.263 71 HB3 HIS 10 3HB HIS 10 2.244 33.496 -8.762 72 HD1 HIS 10 HD1 HIS 10 -0.153 33.475 -10.048 73 HD2 HIS 10 HD2 HIS 10 -0.186 32.239 -6.084 74 HE1 HIS 10 HE1 HIS 10 -2.559 33.547 -9.342 75 HE2 HIS 10 HE2 HIS 10 -2.557 32.521 -7.048 76 H MET 11 H MET 11 3.088 29.766 -7.220 77 HA MET 11 HA MET 11 0.579 28.488 -6.671 78 HB2 MET 11 2HB MET 11 1.207 27.196 -8.662 79 HB3 MET 11 3HB MET 11 2.771 26.804 -7.960 80 HG2 MET 11 2HG MET 11 1.145 24.927 -7.840 81 HG3 MET 11 3HG MET 11 1.713 25.436 -6.250 82 HE1 MET 11 3HE MET 11 -2.477 26.548 -7.903 83 HE2 MET 11 1HE MET 11 -1.316 25.585 -8.818 84 HE3 MET 11 2HE MET 11 -0.996 27.292 -8.501 85 H ASN 12 H ASN 12 0.588 28.404 -4.580 86 HA ASN 12 HA ASN 12 2.816 27.103 -3.132 87 HB2 ASN 12 2HB ASN 12 2.727 29.549 -2.577 88 HB3 ASN 12 3HB ASN 12 1.051 29.374 -2.081 89 HD21 ASN 12 1HD2 ASN 12 3.392 30.274 -0.560 90 HD22 ASN 12 2HD2 ASN 12 3.496 29.246 0.824 91 H SER 13 H SER 13 1.921 25.138 -3.111 92 HA SER 13 HA SER 13 -0.750 24.771 -1.863 93 HB2 SER 13 2HB SER 13 -0.611 24.225 -4.365 94 HB3 SER 13 3HB SER 13 0.512 22.931 -3.947 95 HG SER 13 HG SER 13 -1.115 21.943 -2.761 96 H GLN 14 H GLN 14 1.377 25.116 -0.309 97 HA GLN 14 HA GLN 14 2.816 22.666 0.258 98 HB2 GLN 14 2HB GLN 14 2.918 25.421 1.554 99 HB3 GLN 14 3HB GLN 14 3.998 24.088 1.943 100 HG2 GLN 14 2HG GLN 14 3.775 25.419 -0.768 101 HG3 GLN 14 3HG GLN 14 5.040 25.732 0.420 102 HE21 GLN 14 1HE2 GLN 14 5.169 24.670 -2.355 103 HE22 GLN 14 2HE2 GLN 14 6.013 23.168 -2.231 104 H ARG 15 H ARG 15 -0.108 22.720 0.768 105 HA ARG 15 HA ARG 15 -0.525 22.263 3.549 106 HB2 ARG 15 2HB ARG 15 -1.947 21.213 1.067 107 HB3 ARG 15 3HB ARG 15 -2.421 20.724 2.684 108 HG2 ARG 15 2HG ARG 15 -3.958 22.377 2.064 109 HG3 ARG 15 3HG ARG 15 -2.857 23.188 3.171 110 HD2 ARG 15 2HD ARG 15 -2.549 23.378 0.161 111 HD3 ARG 15 3HD ARG 15 -3.597 24.464 1.076 112 HE ARG 15 HE ARG 15 -0.984 24.417 2.200 113 HH11 ARG 15 1HH1 ARG 15 -2.791 25.768 -0.534 114 HH12 ARG 15 2HH1 ARG 15 -1.714 27.121 -0.702 115 HH21 ARG 15 1HH2 ARG 15 0.426 26.175 1.904 116 HH22 ARG 15 2HH2 ARG 15 0.100 27.355 0.671 117 H LEU 16 H LEU 16 0.588 20.754 4.686 118 HA LEU 16 HA LEU 16 1.932 18.510 3.563 119 HB2 LEU 16 2HB LEU 16 1.211 19.237 6.414 120 HB3 LEU 16 3HB LEU 16 1.966 17.698 6.034 121 HG LEU 16 HG LEU 16 3.691 19.180 6.765 122 HD11 LEU 16 1HD1 LEU 16 3.886 18.948 3.750 123 HD12 LEU 16 2HD1 LEU 16 4.324 17.702 4.923 124 HD13 LEU 16 3HD1 LEU 16 5.234 19.210 4.863 125 HD21 LEU 16 3HD2 LEU 16 2.579 21.347 6.419 126 HD22 LEU 16 1HD2 LEU 16 2.800 21.195 4.675 127 HD23 LEU 16 2HD2 LEU 16 4.204 21.362 5.736 128 H ILE 17 H ILE 17 1.380 16.254 3.772 129 HA ILE 17 HA ILE 17 -1.452 16.045 2.969 130 HB ILE 17 HB ILE 17 0.937 14.302 2.236 131 HG12 ILE 17 2HG1 ILE 17 -0.589 16.456 0.705 132 HG13 ILE 17 3HG1 ILE 17 1.049 16.591 1.326 133 HG21 ILE 17 1HG2 ILE 17 -1.915 14.193 1.168 134 HG22 ILE 17 2HG2 ILE 17 -1.136 12.966 2.170 135 HG23 ILE 17 3HG2 ILE 17 -0.546 13.272 0.536 136 HD11 ILE 17 3HD1 ILE 17 0.125 14.779 -0.885 137 HD12 ILE 17 1HD1 ILE 17 1.769 14.868 -0.243 138 HD13 ILE 17 2HD1 ILE 17 1.055 16.270 -1.035 139 H HIS 18 H HIS 18 -2.822 15.142 4.301 140 HA HIS 18 HA HIS 18 -1.963 13.268 6.401 141 HB2 HIS 18 2HB HIS 18 -4.613 14.745 5.990 142 HB3 HIS 18 3HB HIS 18 -4.257 13.683 7.348 143 HD1 HIS 18 HD1 HIS 18 -4.074 15.246 9.326 144 HD2 HIS 18 HD2 HIS 18 -2.071 16.735 6.013 145 HE1 HIS 18 HE1 HIS 18 -2.992 17.376 10.090 146 HE2 HIS 18 HE2 HIS 18 -1.820 18.275 8.054 147 H ILE 19 H ILE 19 -2.963 11.250 6.644 148 HA ILE 19 HA ILE 19 -4.361 10.078 4.315 149 HB ILE 19 HB ILE 19 -2.018 8.798 5.835 150 HG12 ILE 19 2HG1 ILE 19 -1.190 10.510 4.237 151 HG13 ILE 19 3HG1 ILE 19 -0.725 8.895 3.725 152 HG21 ILE 19 1HG2 ILE 19 -3.668 7.109 5.205 153 HG22 ILE 19 2HG2 ILE 19 -2.216 6.920 4.222 154 HG23 ILE 19 3HG2 ILE 19 -3.656 7.672 3.531 155 HD11 ILE 19 3HD1 ILE 19 -2.519 8.925 2.039 156 HD12 ILE 19 1HD1 ILE 19 -1.383 10.260 1.837 157 HD13 ILE 19 2HD1 ILE 19 -2.964 10.554 2.557 158 H LYS 20 H LYS 20 -6.155 8.961 5.028 159 HA LYS 20 HA LYS 20 -6.463 8.462 7.932 160 HB2 LYS 20 2HB LYS 20 -8.153 10.006 7.034 161 HB3 LYS 20 3HB LYS 20 -8.564 8.873 5.751 162 HG2 LYS 20 2HG LYS 20 -9.456 7.288 7.415 163 HG3 LYS 20 3HG LYS 20 -8.988 8.383 8.719 164 HD2 LYS 20 2HD LYS 20 -11.394 8.581 8.237 165 HD3 LYS 20 3HD LYS 20 -10.552 10.089 7.874 166 HE2 LYS 20 2HE LYS 20 -10.576 9.530 5.468 167 HE3 LYS 20 3HE LYS 20 -11.385 8.000 5.826 168 HZ1 LYS 20 3HZ LYS 20 -13.285 9.209 6.652 169 HZ2 LYS 20 1HZ LYS 20 -12.929 9.732 5.091 170 HZ3 LYS 20 2HZ LYS 20 -12.513 10.692 6.411 171 H THR 21 H THR 21 -6.578 6.397 8.563 172 HA THR 21 HA THR 21 -6.606 4.311 6.474 173 HB THR 21 HB THR 21 -4.520 4.255 7.676 174 HG1 THR 21 HG1 THR 21 -5.780 2.234 7.240 175 HG21 THR 21 3HG2 THR 21 -4.322 3.838 10.099 176 HG22 THR 21 1HG2 THR 21 -6.071 3.973 10.279 177 HG23 THR 21 2HG2 THR 21 -5.123 5.380 9.788 178 H LEU 22 H LEU 22 -8.537 3.439 6.249 179 HA LEU 22 HA LEU 22 -10.379 3.100 8.527 180 HB2 LEU 22 2HB LEU 22 -10.888 2.826 5.533 181 HB3 LEU 22 3HB LEU 22 -12.110 2.703 6.791 182 HG LEU 22 HG LEU 22 -10.536 5.210 6.076 183 HD11 LEU 22 1HD1 LEU 22 -12.688 6.109 5.305 184 HD12 LEU 22 2HD1 LEU 22 -13.469 4.562 5.639 185 HD13 LEU 22 3HD1 LEU 22 -12.222 4.672 4.394 186 HD21 LEU 22 3HD2 LEU 22 -12.013 6.387 7.682 187 HD22 LEU 22 1HD2 LEU 22 -10.971 5.200 8.467 188 HD23 LEU 22 2HD2 LEU 22 -12.675 4.833 8.196 189 H THR 23 H THR 23 -11.112 1.106 9.164 190 HA THR 23 HA THR 23 -9.522 -1.209 8.382 191 HB THR 23 HB THR 23 -10.828 -2.362 10.259 192 HG1 THR 23 HG1 THR 23 -11.829 -0.718 11.718 193 HG21 THR 23 3HG2 THR 23 -9.301 0.154 11.039 194 HG22 THR 23 1HG2 THR 23 -8.572 -1.410 10.656 195 HG23 THR 23 2HG2 THR 23 -9.604 -1.240 12.076 196 H THR 24 H THR 24 -10.528 -3.291 7.942 197 HA THR 24 HA THR 24 -13.066 -3.182 6.426 198 HB THR 24 HB THR 24 -12.032 -4.685 4.710 199 HG1 THR 24 HG1 THR 24 -9.590 -4.240 6.117 200 HG21 THR 24 3HG2 THR 24 -10.357 -2.181 5.109 201 HG22 THR 24 1HG2 THR 24 -11.903 -2.250 4.261 202 HG23 THR 24 2HG2 THR 24 -10.499 -3.100 3.609 203 HA PRO 25 HA PRO 25 -14.196 -6.837 8.812 204 HB2 PRO 25 2HB PRO 25 -15.227 -8.633 6.950 205 HB3 PRO 25 3HB PRO 25 -16.105 -7.215 7.559 206 HG2 PRO 25 2HG PRO 25 -14.546 -7.503 5.012 207 HG3 PRO 25 3HG PRO 25 -16.142 -6.765 5.275 208 HD2 PRO 25 2HD PRO 25 -13.954 -5.230 5.023 209 HD3 PRO 25 3HD PRO 25 -15.233 -4.797 6.182 210 H ASN 26 H ASN 26 -11.919 -7.282 6.214 211 HA ASN 26 HA ASN 26 -10.865 -9.803 7.364 212 HB2 ASN 26 2HB ASN 26 -11.307 -9.535 4.838 213 HB3 ASN 26 3HB ASN 26 -9.990 -8.370 4.811 214 HD21 ASN 26 1HD2 ASN 26 -10.282 -10.951 3.441 215 HD22 ASN 26 2HD2 ASN 26 -8.902 -11.891 3.888 216 H GLU 27 H GLU 27 -8.924 -9.749 8.525 217 HA GLU 27 HA GLU 27 -7.876 -7.169 9.294 218 HB2 GLU 27 2HB GLU 27 -6.610 -8.341 10.997 219 HB3 GLU 27 3HB GLU 27 -8.244 -8.979 10.956 220 HG2 GLU 27 2HG GLU 27 -7.032 -10.928 11.189 221 HG3 GLU 27 3HG GLU 27 -7.174 -10.853 9.433 222 H ASN 28 H ASN 28 -7.025 -9.505 6.925 223 HA ASN 28 HA ASN 28 -4.232 -8.868 6.637 224 HB2 ASN 28 2HB ASN 28 -6.181 -10.023 4.574 225 HB3 ASN 28 3HB ASN 28 -4.446 -9.872 4.333 226 HD21 ASN 28 1HD2 ASN 28 -6.220 -11.048 7.205 227 HD22 ASN 28 2HD2 ASN 28 -5.508 -12.615 7.192 228 H ALA 29 H ALA 29 -7.256 -7.615 5.291 229 HA ALA 29 HA ALA 29 -5.923 -5.702 3.534 230 HB1 ALA 29 3HB ALA 29 -7.941 -6.848 2.729 231 HB2 ALA 29 1HB ALA 29 -8.231 -5.113 2.841 232 HB3 ALA 29 2HB ALA 29 -8.882 -6.198 4.074 233 H LEU 30 H LEU 30 -5.892 -3.465 3.832 234 HA LEU 30 HA LEU 30 -7.425 -2.187 5.944 235 HB2 LEU 30 2HB LEU 30 -5.353 -2.940 7.132 236 HB3 LEU 30 3HB LEU 30 -4.381 -2.021 5.999 237 HG LEU 30 HG LEU 30 -5.418 0.096 6.853 238 HD11 LEU 30 1HD1 LEU 30 -7.573 -0.779 7.613 239 HD12 LEU 30 2HD1 LEU 30 -6.749 0.088 8.906 240 HD13 LEU 30 3HD1 LEU 30 -6.771 -1.677 8.906 241 HD21 LEU 30 3HD2 LEU 30 -4.138 -1.627 8.999 242 HD22 LEU 30 1HD2 LEU 30 -4.254 0.137 9.017 243 HD23 LEU 30 2HD2 LEU 30 -3.289 -0.669 7.783 244 H LYS 31 H LYS 31 -8.103 -0.332 5.199 245 HA LYS 31 HA LYS 31 -7.261 0.611 2.604 246 HB2 LYS 31 2HB LYS 31 -9.635 0.331 3.184 247 HB3 LYS 31 3HB LYS 31 -9.479 1.497 4.493 248 HG2 LYS 31 2HG LYS 31 -9.074 3.293 2.871 249 HG3 LYS 31 3HG LYS 31 -9.156 2.137 1.536 250 HD2 LYS 31 2HD LYS 31 -11.421 2.831 3.454 251 HD3 LYS 31 3HD LYS 31 -11.288 3.363 1.776 252 HE2 LYS 31 2HE LYS 31 -11.562 1.078 0.974 253 HE3 LYS 31 3HE LYS 31 -11.501 0.447 2.623 254 HZ1 LYS 31 3HZ LYS 31 -13.560 1.615 3.110 255 HZ2 LYS 31 1HZ LYS 31 -13.765 0.577 1.795 256 HZ3 LYS 31 2HZ LYS 31 -13.613 2.237 1.542 257 H PHE 32 H PHE 32 -5.655 2.107 2.412 258 HA PHE 32 HA PHE 32 -5.435 4.340 4.349 259 HB2 PHE 32 2HB PHE 32 -3.428 3.280 2.291 260 HB3 PHE 32 3HB PHE 32 -3.185 4.740 3.245 261 HD1 PHE 32 HD2 PHE 32 -3.350 1.042 3.394 262 HD2 PHE 32 HD1 PHE 32 -2.567 4.616 5.609 263 HE1 PHE 32 HE2 PHE 32 -2.356 -0.295 5.208 264 HE2 PHE 32 HE1 PHE 32 -1.582 3.265 7.417 265 HZ PHE 32 HZ PHE 32 -1.475 0.816 7.219 266 H LEU 33 H LEU 33 -6.507 6.068 3.692 267 HA LEU 33 HA LEU 33 -7.120 6.550 0.837 268 HB2 LEU 33 2HB LEU 33 -9.112 6.270 2.246 269 HB3 LEU 33 3HB LEU 33 -8.516 7.447 3.401 270 HG LEU 33 HG LEU 33 -8.837 9.268 1.720 271 HD11 LEU 33 1HD1 LEU 33 -10.077 8.855 -0.363 272 HD12 LEU 33 2HD1 LEU 33 -10.008 7.117 -0.067 273 HD13 LEU 33 3HD1 LEU 33 -8.521 8.025 -0.351 274 HD21 LEU 33 3HD2 LEU 33 -10.638 8.770 3.313 275 HD22 LEU 33 1HD2 LEU 33 -11.333 7.601 2.189 276 HD23 LEU 33 2HD2 LEU 33 -11.296 9.317 1.773 277 H SER 34 H SER 34 -6.319 8.383 -0.120 278 HA SER 34 HA SER 34 -4.632 10.232 1.309 279 HB2 SER 34 2HB SER 34 -4.620 11.414 -0.992 280 HB3 SER 34 3HB SER 34 -4.009 9.760 -0.971 281 HG SER 34 HG SER 34 -6.177 10.797 -2.264 282 H THR 35 H THR 35 -5.533 11.642 2.676 283 HA THR 35 HA THR 35 -8.335 12.554 2.312 284 HB THR 35 HB THR 35 -6.756 12.356 4.920 285 HG1 THR 35 HG1 THR 35 -7.593 10.363 3.348 286 HG21 THR 35 3HG2 THR 35 -8.982 12.213 5.990 287 HG22 THR 35 1HG2 THR 35 -9.770 12.359 4.415 288 HG23 THR 35 2HG2 THR 35 -8.843 13.712 5.073 289 H ASP 36 H ASP 36 -6.287 13.899 0.988 290 HA ASP 36 HA ASP 36 -6.326 16.561 2.254 291 HB2 ASP 36 2HB ASP 36 -4.016 15.048 2.394 292 HB3 ASP 36 3HB ASP 36 -3.779 15.797 0.818 293 H GLY 37 H GLY 37 -4.735 17.734 0.038 294 HA2 GLY 37 2HA GLY 37 -6.841 18.090 -1.893 295 HA3 GLY 37 3HA GLY 37 -5.224 18.770 -1.971 296 H GLU 38 H GLU 38 -4.189 15.855 -1.696 297 HA GLU 38 HA GLU 38 -4.128 15.372 -4.585 298 HB2 GLU 38 2HB GLU 38 -2.399 14.117 -2.414 299 HB3 GLU 38 3HB GLU 38 -2.140 14.027 -4.153 300 HG2 GLU 38 2HG GLU 38 -2.046 16.589 -2.545 301 HG3 GLU 38 3HG GLU 38 -0.637 15.611 -2.936 302 H MET 39 H MET 39 -4.136 13.191 -5.388 303 HA MET 39 HA MET 39 -5.899 11.286 -3.962 304 HB2 MET 39 2HB MET 39 -7.259 12.746 -5.486 305 HB3 MET 39 3HB MET 39 -6.252 12.258 -6.839 306 HG2 MET 39 2HG MET 39 -7.062 9.947 -6.622 307 HG3 MET 39 3HG MET 39 -8.045 10.420 -5.229 308 HE1 MET 39 3HE MET 39 -10.737 9.849 -8.033 309 HE2 MET 39 1HE MET 39 -10.236 9.431 -6.395 310 HE3 MET 39 2HE MET 39 -9.257 8.925 -7.772 311 H LEU 40 H LEU 40 -5.644 9.081 -4.709 312 HA LEU 40 HA LEU 40 -2.918 8.515 -5.466 313 HB2 LEU 40 2HB LEU 40 -5.245 6.699 -4.785 314 HB3 LEU 40 3HB LEU 40 -3.620 6.114 -5.133 315 HG LEU 40 HG LEU 40 -4.377 7.947 -2.820 316 HD11 LEU 40 1HD1 LEU 40 -3.687 5.001 -2.920 317 HD12 LEU 40 2HD1 LEU 40 -5.234 5.740 -2.476 318 HD13 LEU 40 3HD1 LEU 40 -3.827 5.963 -1.436 319 HD21 LEU 40 3HD2 LEU 40 -2.087 8.425 -3.582 320 HD22 LEU 40 1HD2 LEU 40 -1.675 6.708 -3.495 321 HD23 LEU 40 2HD2 LEU 40 -2.063 7.605 -2.024 322 H GLN 41 H GLN 41 -6.065 7.456 -6.921 323 HA GLN 41 HA GLN 41 -4.595 7.074 -9.481 324 HB2 GLN 41 2HB GLN 41 -5.395 4.939 -8.341 325 HB3 GLN 41 3HB GLN 41 -7.047 5.495 -8.582 326 HG2 GLN 41 2HG GLN 41 -6.432 3.879 -10.298 327 HG3 GLN 41 3HG GLN 41 -6.717 5.460 -11.030 328 HE21 GLN 41 1HE2 GLN 41 -3.756 4.392 -9.337 329 HE22 GLN 41 2HE2 GLN 41 -2.742 4.478 -10.731 330 H THR 42 H THR 42 -8.062 6.754 -9.505 331 HA THR 42 HA THR 42 -8.794 9.407 -10.108 332 HB THR 42 HB THR 42 -7.440 9.098 -12.160 333 HG1 THR 42 HG1 THR 42 -9.565 10.229 -12.129 334 HG21 THR 42 3HG2 THR 42 -9.323 6.827 -12.886 335 HG22 THR 42 1HG2 THR 42 -7.626 6.638 -12.447 336 HG23 THR 42 2HG2 THR 42 -8.065 7.507 -13.921 337 H ARG 43 H ARG 43 -11.031 9.573 -10.377 338 HA ARG 43 HA ARG 43 -12.564 7.420 -9.253 339 HB2 ARG 43 2HB ARG 43 -12.879 9.999 -8.978 340 HB3 ARG 43 3HB ARG 43 -13.683 9.954 -10.531 341 HG2 ARG 43 2HG ARG 43 -14.609 8.474 -8.046 342 HG3 ARG 43 3HG ARG 43 -15.234 10.025 -8.600 343 HD2 ARG 43 2HD ARG 43 -15.514 7.337 -9.975 344 HD3 ARG 43 3HD ARG 43 -16.790 8.300 -9.227 345 HE ARG 43 HE ARG 43 -15.877 9.982 -11.120 346 HH11 ARG 43 1HH1 ARG 43 -16.865 6.603 -11.301 347 HH12 ARG 43 2HH1 ARG 43 -17.379 6.720 -12.957 348 HH21 ARG 43 1HH2 ARG 43 -16.527 10.112 -13.326 349 HH22 ARG 43 2HH2 ARG 43 -17.187 8.701 -14.101 350 H GLY 44 H GLY 44 -13.218 5.710 -10.429 351 HA2 GLY 44 2HA GLY 44 -14.381 4.594 -12.150 352 HA3 GLY 44 3HA GLY 44 -14.205 5.999 -13.199 353 H SER 45 H SER 45 -12.183 3.649 -11.439 354 HA SER 45 HA SER 45 -10.538 3.231 -13.856 355 HB2 SER 45 2HB SER 45 -9.429 4.913 -12.294 356 HB3 SER 45 3HB SER 45 -9.334 3.644 -11.078 357 HG SER 45 HG SER 45 -7.590 4.139 -12.953 358 H LYS 46 H LYS 46 -8.772 1.410 -12.887 359 HA LYS 46 HA LYS 46 -10.451 -0.955 -12.405 360 HB2 LYS 46 2HB LYS 46 -7.520 -0.706 -13.252 361 HB3 LYS 46 3HB LYS 46 -8.366 -2.229 -13.036 362 HG2 LYS 46 2HG LYS 46 -8.232 -1.812 -15.382 363 HG3 LYS 46 3HG LYS 46 -9.913 -1.559 -14.912 364 HD2 LYS 46 2HD LYS 46 -9.129 0.154 -16.515 365 HD3 LYS 46 3HD LYS 46 -9.588 0.872 -14.971 366 HE2 LYS 46 2HE LYS 46 -7.157 0.931 -14.347 367 HE3 LYS 46 3HE LYS 46 -6.769 0.349 -15.968 368 HZ1 LYS 46 3HZ LYS 46 -8.197 2.883 -15.344 369 HZ2 LYS 46 1HZ LYS 46 -7.821 2.320 -16.888 370 HZ3 LYS 46 2HZ LYS 46 -6.583 2.753 -15.828 371 H SER 47 H SER 47 -10.177 -2.240 -10.557 372 HA SER 47 HA SER 47 -8.657 -1.222 -8.305 373 HB2 SER 47 2HB SER 47 -10.217 -3.838 -8.565 374 HB3 SER 47 3HB SER 47 -9.648 -3.109 -7.058 375 HG SER 47 HG SER 47 -11.095 -1.320 -8.464 376 H ILE 48 H ILE 48 -6.529 -1.279 -9.075 377 HA ILE 48 HA ILE 48 -5.402 -3.540 -10.470 378 HB ILE 48 HB ILE 48 -3.945 -1.116 -9.312 379 HG12 ILE 48 2HG1 ILE 48 -5.028 -1.431 -12.149 380 HG13 ILE 48 3HG1 ILE 48 -5.791 -0.461 -10.896 381 HG21 ILE 48 1HG2 ILE 48 -2.187 -1.579 -10.987 382 HG22 ILE 48 2HG2 ILE 48 -3.069 -3.012 -11.520 383 HG23 ILE 48 3HG2 ILE 48 -2.403 -2.945 -9.888 384 HD11 ILE 48 3HD1 ILE 48 -3.824 0.996 -10.821 385 HD12 ILE 48 1HD1 ILE 48 -4.536 0.922 -12.432 386 HD13 ILE 48 2HD1 ILE 48 -3.057 0.028 -12.085 387 H VAL 49 H VAL 49 -5.210 -5.387 -9.222 388 HA VAL 49 HA VAL 49 -4.063 -5.207 -6.511 389 HB VAL 49 HB VAL 49 -5.314 -7.658 -7.842 390 HG11 VAL 49 1HG1 VAL 49 -4.577 -7.142 -4.932 391 HG12 VAL 49 2HG1 VAL 49 -3.743 -8.237 -6.037 392 HG13 VAL 49 3HG1 VAL 49 -5.402 -8.579 -5.542 393 HG21 VAL 49 3HG2 VAL 49 -7.007 -5.889 -7.590 394 HG22 VAL 49 1HG2 VAL 49 -6.589 -5.708 -5.882 395 HG23 VAL 49 2HG2 VAL 49 -7.318 -7.210 -6.461 396 H ILE 50 H ILE 50 -1.918 -5.237 -6.544 397 HA ILE 50 HA ILE 50 -0.388 -6.866 -8.471 398 HB ILE 50 HB ILE 50 0.497 -4.510 -6.722 399 HG12 ILE 50 2HG1 ILE 50 0.056 -4.578 -9.744 400 HG13 ILE 50 3HG1 ILE 50 -1.028 -3.821 -8.582 401 HG21 ILE 50 1HG2 ILE 50 2.619 -4.581 -8.008 402 HG22 ILE 50 2HG2 ILE 50 2.068 -6.044 -8.827 403 HG23 ILE 50 3HG2 ILE 50 2.352 -6.064 -7.084 404 HD11 ILE 50 3HD1 ILE 50 1.811 -2.977 -9.185 405 HD12 ILE 50 1HD1 ILE 50 0.753 -2.235 -7.978 406 HD13 ILE 50 2HD1 ILE 50 0.326 -2.167 -9.685 407 H LYS 51 H LYS 51 0.202 -8.821 -7.549 408 HA LYS 51 HA LYS 51 0.444 -9.124 -4.661 409 HB2 LYS 51 2HB LYS 51 0.917 -11.113 -6.934 410 HB3 LYS 51 3HB LYS 51 1.040 -11.514 -5.222 411 HG2 LYS 51 2HG LYS 51 -1.348 -10.915 -4.921 412 HG3 LYS 51 3HG LYS 51 -1.475 -10.560 -6.640 413 HD2 LYS 51 2HD LYS 51 -0.724 -13.311 -5.564 414 HD3 LYS 51 3HD LYS 51 -2.388 -12.816 -5.861 415 HE2 LYS 51 2HE LYS 51 -1.657 -14.108 -7.741 416 HE3 LYS 51 3HE LYS 51 -1.777 -12.434 -8.274 417 HZ1 LYS 51 3HZ LYS 51 0.746 -13.830 -7.528 418 HZ2 LYS 51 1HZ LYS 51 0.627 -12.244 -8.095 419 HZ3 LYS 51 2HZ LYS 51 0.217 -13.534 -9.103 420 H ASN 52 H ASN 52 2.431 -10.022 -3.740 421 HA ASN 52 HA ASN 52 4.719 -8.479 -4.309 422 HB2 ASN 52 2HB ASN 52 5.831 -9.987 -2.577 423 HB3 ASN 52 3HB ASN 52 4.370 -9.158 -2.057 424 HD21 ASN 52 1HD2 ASN 52 4.247 -10.678 -0.367 425 HD22 ASN 52 2HD2 ASN 52 3.609 -12.265 -0.620 426 H THR 53 H THR 53 3.638 -11.454 -5.596 427 HA THR 53 HA THR 53 6.105 -12.497 -6.612 428 HB THR 53 HB THR 53 4.579 -13.952 -7.985 429 HG1 THR 53 HG1 THR 53 2.911 -12.292 -8.215 430 HG21 THR 53 3HG2 THR 53 5.114 -14.639 -5.667 431 HG22 THR 53 1HG2 THR 53 3.472 -15.113 -6.109 432 HG23 THR 53 2HG2 THR 53 3.736 -13.710 -5.071 433 H ASP 54 H ASP 54 3.849 -10.058 -7.696 434 HA ASP 54 HA ASP 54 4.535 -10.243 -10.538 435 HB2 ASP 54 2HB ASP 54 2.609 -8.419 -9.024 436 HB3 ASP 54 3HB ASP 54 2.862 -8.333 -10.767 437 H GLU 55 H GLU 55 6.838 -9.745 -9.946 438 HA GLU 55 HA GLU 55 7.711 -7.277 -8.938 439 HB2 GLU 55 2HB GLU 55 9.111 -9.341 -9.144 440 HB3 GLU 55 3HB GLU 55 9.204 -9.089 -10.885 441 HG2 GLU 55 2HG GLU 55 10.396 -6.976 -10.544 442 HG3 GLU 55 3HG GLU 55 10.234 -7.132 -8.796 443 H ASN 56 H ASN 56 6.764 -8.211 -12.164 444 HA ASN 56 HA ASN 56 7.699 -6.104 -13.755 445 HB2 ASN 56 2HB ASN 56 6.762 -8.093 -14.770 446 HB3 ASN 56 3HB ASN 56 5.220 -7.872 -13.954 447 HD21 ASN 56 1HD2 ASN 56 3.699 -6.480 -14.859 448 HD22 ASN 56 2HD2 ASN 56 3.893 -5.762 -16.418 449 H LEU 57 H LEU 57 4.661 -6.429 -11.930 450 HA LEU 57 HA LEU 57 3.667 -3.816 -12.673 451 HB2 LEU 57 2HB LEU 57 2.636 -5.835 -10.650 452 HB3 LEU 57 3HB LEU 57 1.776 -4.391 -11.153 453 HG LEU 57 HG LEU 57 2.448 -6.754 -12.958 454 HD11 LEU 57 1HD1 LEU 57 -0.217 -5.931 -11.750 455 HD12 LEU 57 2HD1 LEU 57 0.755 -7.329 -11.278 456 HD13 LEU 57 3HD1 LEU 57 0.043 -7.258 -12.889 457 HD21 LEU 57 3HD2 LEU 57 0.989 -5.673 -14.623 458 HD22 LEU 57 1HD2 LEU 57 2.379 -4.658 -14.235 459 HD23 LEU 57 2HD2 LEU 57 0.793 -4.275 -13.563 460 H ILE 58 H ILE 58 5.371 -5.217 -9.941 461 HA ILE 58 HA ILE 58 5.076 -3.132 -8.026 462 HB ILE 58 HB ILE 58 7.270 -5.241 -8.350 463 HG12 ILE 58 2HG1 ILE 58 4.929 -5.144 -6.388 464 HG13 ILE 58 3HG1 ILE 58 4.965 -6.110 -7.856 465 HG21 ILE 58 1HG2 ILE 58 6.806 -3.406 -5.969 466 HG22 ILE 58 2HG2 ILE 58 8.191 -3.364 -7.062 467 HG23 ILE 58 3HG2 ILE 58 7.939 -4.758 -6.010 468 HD11 ILE 58 3HD1 ILE 58 5.432 -7.469 -5.926 469 HD12 ILE 58 1HD1 ILE 58 6.783 -6.430 -5.475 470 HD13 ILE 58 2HD1 ILE 58 6.858 -7.386 -6.959 471 H ASN 59 H ASN 59 7.533 -3.829 -10.513 472 HA ASN 59 HA ASN 59 9.179 -1.569 -9.996 473 HB2 ASN 59 2HB ASN 59 9.027 -3.368 -12.448 474 HB3 ASN 59 3HB ASN 59 10.244 -2.108 -12.235 475 HD21 ASN 59 1HD2 ASN 59 10.751 -4.879 -12.559 476 HD22 ASN 59 2HD2 ASN 59 11.557 -5.439 -11.142 477 H HIS 60 H HIS 60 6.109 -1.660 -11.456 478 HA HIS 60 HA HIS 60 6.531 0.754 -13.074 479 HB2 HIS 60 2HB HIS 60 5.014 -1.117 -13.874 480 HB3 HIS 60 3HB HIS 60 3.915 -0.737 -12.551 481 HD1 HIS 60 HD1 HIS 60 1.955 0.362 -13.626 482 HD2 HIS 60 HD2 HIS 60 5.535 1.749 -15.221 483 HE1 HIS 60 HE1 HIS 60 1.318 2.187 -15.234 484 HE2 HIS 60 HE2 HIS 60 3.506 3.064 -16.114 485 H SER 61 H SER 61 6.012 0.081 -9.865 486 HA SER 61 HA SER 61 5.056 2.797 -9.269 487 HB2 SER 61 2HB SER 61 3.581 1.783 -7.442 488 HB3 SER 61 3HB SER 61 3.029 1.507 -9.093 489 HG SER 61 HG SER 61 4.706 -0.462 -8.141 490 H LYS 62 H LYS 62 6.892 3.567 -8.365 491 HA LYS 62 HA LYS 62 8.838 2.172 -6.943 492 HB2 LYS 62 2HB LYS 62 9.170 4.454 -7.874 493 HB3 LYS 62 3HB LYS 62 8.113 5.111 -6.630 494 HG2 LYS 62 2HG LYS 62 9.738 4.346 -4.884 495 HG3 LYS 62 3HG LYS 62 10.793 3.748 -6.167 496 HD2 LYS 62 2HD LYS 62 11.579 5.937 -5.383 497 HD3 LYS 62 3HD LYS 62 11.025 6.057 -7.054 498 HE2 LYS 62 2HE LYS 62 8.881 7.018 -6.268 499 HE3 LYS 62 3HE LYS 62 9.441 6.898 -4.597 500 HZ1 LYS 62 3HZ LYS 62 10.760 8.527 -6.711 501 HZ2 LYS 62 1HZ LYS 62 11.201 8.460 -5.090 502 HZ3 LYS 62 2HZ LYS 62 9.722 9.141 -5.530 503 H LEU 63 H LEU 63 5.776 3.494 -5.831 504 HA LEU 63 HA LEU 63 6.171 3.569 -3.054 505 HB2 LEU 63 2HB LEU 63 4.158 4.459 -4.328 506 HB3 LEU 63 3HB LEU 63 3.584 2.807 -4.465 507 HG LEU 63 HG LEU 63 3.583 2.692 -1.913 508 HD11 LEU 63 1HD1 LEU 63 3.591 4.795 -0.660 509 HD12 LEU 63 2HD1 LEU 63 4.017 5.683 -2.126 510 HD13 LEU 63 3HD1 LEU 63 5.140 4.498 -1.448 511 HD21 LEU 63 3HD2 LEU 63 1.475 3.875 -1.631 512 HD22 LEU 63 1HD2 LEU 63 1.503 3.020 -3.172 513 HD23 LEU 63 2HD2 LEU 63 1.742 4.770 -3.129 514 H ALA 64 H ALA 64 5.038 0.956 -5.187 515 HA ALA 64 HA ALA 64 4.461 -1.011 -3.268 516 HB1 ALA 64 3HB ALA 64 3.723 -1.155 -5.611 517 HB2 ALA 64 1HB ALA 64 4.623 -2.600 -5.153 518 HB3 ALA 64 2HB ALA 64 5.397 -1.353 -6.143 519 H GLN 65 H GLN 65 7.389 -0.331 -5.152 520 HA GLN 65 HA GLN 65 9.061 -2.397 -4.337 521 HB2 GLN 65 2HB GLN 65 9.753 0.480 -5.089 522 HB3 GLN 65 3HB GLN 65 10.944 -0.816 -4.950 523 HG2 GLN 65 2HG GLN 65 9.878 -2.047 -6.762 524 HG3 GLN 65 3HG GLN 65 8.599 -0.837 -6.871 525 HE21 GLN 65 1HE2 GLN 65 10.701 -1.790 -8.803 526 HE22 GLN 65 2HE2 GLN 65 11.425 -0.332 -9.380 527 H GLN 66 H GLN 66 8.612 0.822 -2.848 528 HA GLN 66 HA GLN 66 10.535 0.417 -0.778 529 HB2 GLN 66 2HB GLN 66 8.316 2.496 -0.879 530 HB3 GLN 66 3HB GLN 66 9.769 2.556 0.114 531 HG2 GLN 66 2HG GLN 66 9.625 2.767 -2.904 532 HG3 GLN 66 3HG GLN 66 9.975 4.066 -1.775 533 HE21 GLN 66 1HE2 GLN 66 11.825 2.545 -0.133 534 HE22 GLN 66 2HE2 GLN 66 13.252 2.328 -1.078 535 H ILE 67 H ILE 67 6.973 -0.016 -0.925 536 HA ILE 67 HA ILE 67 6.534 -0.415 1.849 537 HB ILE 67 HB ILE 67 4.938 -1.330 -0.594 538 HG12 ILE 67 2HG1 ILE 67 4.430 0.900 1.435 539 HG13 ILE 67 3HG1 ILE 67 4.990 1.123 -0.217 540 HG21 ILE 67 1HG2 ILE 67 4.086 -1.572 2.316 541 HG22 ILE 67 2HG2 ILE 67 4.430 -2.911 1.218 542 HG23 ILE 67 3HG2 ILE 67 3.045 -1.859 0.921 543 HD11 ILE 67 3HD1 ILE 67 2.847 0.237 -1.041 544 HD12 ILE 67 1HD1 ILE 67 2.653 1.669 -0.031 545 HD13 ILE 67 2HD1 ILE 67 2.290 0.074 0.628 546 H PHE 68 H PHE 68 7.146 -2.725 -0.829 547 HA PHE 68 HA PHE 68 7.138 -5.065 0.795 548 HB2 PHE 68 2HB PHE 68 8.243 -4.605 -2.010 549 HB3 PHE 68 3HB PHE 68 8.219 -6.179 -1.221 550 HD1 PHE 68 HD1 PHE 68 5.740 -6.748 -0.148 551 HD2 PHE 68 HD2 PHE 68 6.484 -4.266 -3.552 552 HE1 PHE 68 HE1 PHE 68 3.454 -7.169 -0.972 553 HE2 PHE 68 HE2 PHE 68 4.197 -4.693 -4.359 554 HZ PHE 68 HZ PHE 68 2.682 -6.147 -3.072 555 H LEU 69 H LEU 69 9.685 -2.765 -0.082 556 HA LEU 69 HA LEU 69 11.906 -4.310 0.814 557 HB2 LEU 69 2HB LEU 69 12.206 -2.351 -0.645 558 HB3 LEU 69 3HB LEU 69 11.549 -1.298 0.594 559 HG LEU 69 HG LEU 69 13.538 -1.789 2.046 560 HD11 LEU 69 1HD1 LEU 69 14.612 -3.311 -0.348 561 HD12 LEU 69 2HD1 LEU 69 14.135 -4.006 1.204 562 HD13 LEU 69 3HD1 LEU 69 15.509 -2.908 1.120 563 HD21 LEU 69 3HD2 LEU 69 15.149 -0.433 0.790 564 HD22 LEU 69 1HD2 LEU 69 13.516 0.211 0.622 565 HD23 LEU 69 2HD2 LEU 69 14.244 -0.705 -0.701 566 H GLN 70 H GLN 70 10.062 -1.679 2.349 567 HA GLN 70 HA GLN 70 11.456 -1.771 4.843 568 HB2 GLN 70 2HB GLN 70 8.847 -0.387 4.060 569 HB3 GLN 70 3HB GLN 70 9.682 -0.137 5.594 570 HG2 GLN 70 2HG GLN 70 11.623 0.785 4.420 571 HG3 GLN 70 3HG GLN 70 10.857 0.467 2.864 572 HE21 GLN 70 1HE2 GLN 70 10.926 2.641 2.254 573 HE22 GLN 70 2HE2 GLN 70 9.946 3.854 2.990 574 H CYS 71 H CYS 71 8.605 -3.363 3.560 575 HA CYS 71 HA CYS 71 8.400 -4.992 5.980 576 HB2 CYS 71 2HB CYS 71 6.021 -3.561 4.725 577 HB3 CYS 71 3HB CYS 71 5.915 -4.787 5.991 578 HG CYS 71 HG CYS 71 7.295 -1.681 6.254 579 HA PRO 72 HA PRO 72 8.230 -7.670 2.187 580 HB2 PRO 72 2HB PRO 72 9.696 -9.738 3.205 581 HB3 PRO 72 3HB PRO 72 10.452 -8.263 2.565 582 HG2 PRO 72 2HG PRO 72 9.890 -8.993 5.426 583 HG3 PRO 72 3HG PRO 72 11.366 -8.307 4.710 584 HD2 PRO 72 2HD PRO 72 9.524 -6.767 6.007 585 HD3 PRO 72 3HD PRO 72 10.504 -6.151 4.656 586 H GLY 73 H GLY 73 6.741 -7.732 5.158 587 HA2 GLY 73 2HA GLY 73 5.425 -10.342 4.843 588 HA3 GLY 73 3HA GLY 73 5.260 -9.236 6.198 589 H VAL 74 H VAL 74 5.010 -7.829 3.074 590 HA VAL 74 HA VAL 74 2.063 -7.665 3.242 591 HB VAL 74 HB VAL 74 3.987 -6.162 1.395 592 HG11 VAL 74 1HG1 VAL 74 2.059 -4.703 0.877 593 HG12 VAL 74 2HG1 VAL 74 1.008 -5.740 1.847 594 HG13 VAL 74 3HG1 VAL 74 1.762 -6.372 0.381 595 HG21 VAL 74 3HG2 VAL 74 2.572 -5.182 3.902 596 HG22 VAL 74 1HG2 VAL 74 3.556 -4.195 2.817 597 HG23 VAL 74 2HG2 VAL 74 4.302 -5.499 3.742 598 H GLU 75 H GLU 75 0.753 -8.698 1.806 599 HA GLU 75 HA GLU 75 1.903 -10.740 0.064 600 HB2 GLU 75 2HB GLU 75 -0.892 -10.214 1.133 601 HB3 GLU 75 3HB GLU 75 -0.590 -11.448 -0.087 602 HG2 GLU 75 2HG GLU 75 0.841 -11.412 2.578 603 HG3 GLU 75 3HG GLU 75 -0.709 -12.216 2.340 604 H SER 76 H SER 76 -0.434 -8.043 -0.243 605 HA SER 76 HA SER 76 0.238 -7.613 -3.004 606 HB2 SER 76 2HB SER 76 -2.107 -7.998 -3.876 607 HB3 SER 76 3HB SER 76 -1.279 -9.472 -3.382 608 HG SER 76 HG SER 76 -2.547 -9.620 -1.624 609 H LEU 77 H LEU 77 -1.003 -5.819 -3.962 610 HA LEU 77 HA LEU 77 -2.024 -3.879 -1.960 611 HB2 LEU 77 2HB LEU 77 -0.436 -3.192 -4.483 612 HB3 LEU 77 3HB LEU 77 -0.907 -2.094 -3.197 613 HG LEU 77 HG LEU 77 1.188 -4.298 -2.980 614 HD11 LEU 77 1HD1 LEU 77 1.534 -1.285 -3.112 615 HD12 LEU 77 2HD1 LEU 77 1.939 -2.447 -4.380 616 HD13 LEU 77 3HD1 LEU 77 2.818 -2.472 -2.855 617 HD21 LEU 77 3HD2 LEU 77 1.762 -3.362 -0.795 618 HD22 LEU 77 1HD2 LEU 77 0.095 -3.933 -0.814 619 HD23 LEU 77 2HD2 LEU 77 0.434 -2.206 -0.919 620 H MET 78 H MET 78 -4.093 -3.284 -2.485 621 HA MET 78 HA MET 78 -5.084 -3.590 -5.254 622 HB2 MET 78 2HB MET 78 -6.449 -4.835 -3.629 623 HB3 MET 78 3HB MET 78 -6.609 -3.415 -2.606 624 HG2 MET 78 2HG MET 78 -7.933 -2.293 -4.369 625 HG3 MET 78 3HG MET 78 -7.768 -3.714 -5.400 626 HE1 MET 78 3HE MET 78 -8.250 -6.204 -3.531 627 HE2 MET 78 1HE MET 78 -9.120 -5.973 -5.048 628 HE3 MET 78 2HE MET 78 -10.007 -6.353 -3.574 629 H ILE 79 H ILE 79 -4.944 -1.712 -6.333 630 HA ILE 79 HA ILE 79 -4.916 0.851 -4.944 631 HB ILE 79 HB ILE 79 -4.795 0.430 -7.966 632 HG12 ILE 79 2HG1 ILE 79 -2.972 -0.933 -7.008 633 HG13 ILE 79 3HG1 ILE 79 -2.317 0.467 -7.835 634 HG21 ILE 79 1HG2 ILE 79 -3.870 2.732 -6.183 635 HG22 ILE 79 2HG2 ILE 79 -5.250 2.727 -7.292 636 HG23 ILE 79 3HG2 ILE 79 -3.610 2.625 -7.931 637 HD11 ILE 79 3HD1 ILE 79 -1.091 0.030 -5.824 638 HD12 ILE 79 1HD1 ILE 79 -2.567 0.092 -4.862 639 HD13 ILE 79 2HD1 ILE 79 -1.965 1.552 -5.650 640 H GLY 80 H GLY 80 -6.862 1.693 -4.444 641 HA2 GLY 80 2HA GLY 80 -9.265 1.117 -5.989 642 HA3 GLY 80 3HA GLY 80 -9.140 2.097 -4.528 643 H ASP 81 H ASP 81 -10.645 3.354 -6.008 644 HA ASP 81 HA ASP 81 -9.578 4.893 -8.168 645 HB2 ASP 81 2HB ASP 81 -12.046 5.513 -6.464 646 HB3 ASP 81 3HB ASP 81 -11.675 6.180 -8.054 647 H ASP 82 H ASP 82 -10.609 5.863 -4.914 648 HA ASP 82 HA ASP 82 -8.833 8.211 -4.867 649 HB2 ASP 82 2HB ASP 82 -10.923 7.301 -2.822 650 HB3 ASP 82 3HB ASP 82 -10.122 8.867 -2.872 651 H PHE 83 H PHE 83 -9.342 5.093 -3.420 652 HA PHE 83 HA PHE 83 -7.523 5.637 -1.166 653 HB2 PHE 83 2HB PHE 83 -8.700 3.866 0.020 654 HB3 PHE 83 3HB PHE 83 -9.873 5.002 -0.629 655 HD1 PHE 83 HD2 PHE 83 -11.090 4.343 -2.832 656 HD2 PHE 83 HD1 PHE 83 -8.907 1.546 -0.445 657 HE1 PHE 83 HE2 PHE 83 -12.308 2.483 -3.893 658 HE2 PHE 83 HE1 PHE 83 -10.125 -0.307 -1.509 659 HZ PHE 83 HZ PHE 83 -11.824 0.158 -3.229 660 H LEU 84 H LEU 84 -6.521 3.608 -0.291 661 HA LEU 84 HA LEU 84 -5.485 1.715 -2.309 662 HB2 LEU 84 2HB LEU 84 -3.738 3.360 -1.800 663 HB3 LEU 84 3HB LEU 84 -3.994 3.179 -0.076 664 HG LEU 84 HG LEU 84 -2.978 0.948 -0.122 665 HD11 LEU 84 1HD1 LEU 84 -3.676 0.151 -2.315 666 HD12 LEU 84 2HD1 LEU 84 -1.928 0.018 -2.138 667 HD13 LEU 84 3HD1 LEU 84 -2.620 1.324 -3.106 668 HD21 LEU 84 3HD2 LEU 84 -1.262 2.999 -1.566 669 HD22 LEU 84 1HD2 LEU 84 -0.672 1.603 -0.659 670 HD23 LEU 84 2HD2 LEU 84 -1.515 2.903 0.179 671 H THR 85 H THR 85 -5.382 -0.417 -1.499 672 HA THR 85 HA THR 85 -6.114 -0.887 1.327 673 HB THR 85 HB THR 85 -7.103 -2.506 -1.075 674 HG1 THR 85 HG1 THR 85 -8.069 -0.299 -0.279 675 HG21 THR 85 3HG2 THR 85 -7.705 -2.846 1.891 676 HG22 THR 85 1HG2 THR 85 -6.756 -3.961 0.891 677 HG23 THR 85 2HG2 THR 85 -8.479 -3.740 0.582 678 H ILE 86 H ILE 86 -4.300 -1.645 2.200 679 HA ILE 86 HA ILE 86 -2.346 -3.185 0.675 680 HB ILE 86 HB ILE 86 -2.301 -2.337 3.609 681 HG12 ILE 86 2HG1 ILE 86 -2.439 -0.386 2.023 682 HG13 ILE 86 3HG1 ILE 86 -0.964 -0.420 2.970 683 HG21 ILE 86 1HG2 ILE 86 0.144 -2.715 3.469 684 HG22 ILE 86 2HG2 ILE 86 -0.037 -3.312 1.819 685 HG23 ILE 86 3HG2 ILE 86 -0.766 -4.194 3.163 686 HD11 ILE 86 3HD1 ILE 86 0.253 -1.293 1.025 687 HD12 ILE 86 1HD1 ILE 86 -0.525 0.256 0.707 688 HD13 ILE 86 2HD1 ILE 86 -1.241 -1.228 0.085 689 H ASN 87 H ASN 87 -2.646 -5.322 0.534 690 HA ASN 87 HA ASN 87 -3.943 -6.864 2.682 691 HB2 ASN 87 2HB ASN 87 -3.007 -7.741 -0.094 692 HB3 ASN 87 3HB ASN 87 -3.879 -8.749 1.060 693 HD21 ASN 87 1HD2 ASN 87 -4.605 -7.954 -1.663 694 HD22 ASN 87 2HD2 ASN 87 -6.150 -7.187 -1.533 695 H LYS 88 H LYS 88 -2.641 -7.650 4.186 696 HA LYS 88 HA LYS 88 0.251 -8.039 3.682 697 HB2 LYS 88 2HB LYS 88 0.584 -7.824 6.080 698 HB3 LYS 88 3HB LYS 88 -0.406 -6.464 5.556 699 HG2 LYS 88 2HG LYS 88 -2.388 -7.399 6.507 700 HG3 LYS 88 3HG LYS 88 -1.627 -8.976 6.736 701 HD2 LYS 88 2HD LYS 88 -0.080 -7.927 8.420 702 HD3 LYS 88 3HD LYS 88 -0.981 -6.414 8.243 703 HE2 LYS 88 2HE LYS 88 -1.750 -7.663 10.211 704 HE3 LYS 88 3HE LYS 88 -3.039 -7.559 9.010 705 HZ1 LYS 88 3HZ LYS 88 -2.855 -9.778 9.954 706 HZ2 LYS 88 1HZ LYS 88 -1.253 -9.901 9.430 707 HZ3 LYS 88 2HZ LYS 88 -2.513 -9.808 8.304 708 H ASP 89 H ASP 89 1.172 -9.838 5.073 709 HA ASP 89 HA ASP 89 -0.246 -12.323 4.836 710 HB2 ASP 89 2HB ASP 89 2.186 -12.301 4.616 711 HB3 ASP 89 3HB ASP 89 2.370 -11.579 6.209 712 H ARG 90 H ARG 90 -1.279 -13.398 6.385 713 HA ARG 90 HA ARG 90 -2.703 -12.068 8.367 714 HB2 ARG 90 2HB ARG 90 -3.650 -14.253 8.973 715 HB3 ARG 90 3HB ARG 90 -3.606 -14.038 7.234 716 HG2 ARG 90 2HG ARG 90 -1.567 -15.691 8.760 717 HG3 ARG 90 3HG ARG 90 -3.054 -16.356 8.082 718 HD2 ARG 90 2HD ARG 90 -0.711 -15.146 6.590 719 HD3 ARG 90 3HD ARG 90 -1.288 -16.813 6.527 720 HE ARG 90 HE ARG 90 -3.433 -15.574 5.610 721 HH11 ARG 90 1HH1 ARG 90 -0.066 -14.988 4.719 722 HH12 ARG 90 2HH1 ARG 90 -0.468 -14.432 3.119 723 HH21 ARG 90 1HH2 ARG 90 -3.941 -14.809 3.551 724 HH22 ARG 90 2HH2 ARG 90 -2.674 -14.335 2.465 725 H MET 91 H MET 91 0.248 -14.004 8.662 726 HA MET 91 HA MET 91 0.188 -14.078 11.580 727 HB2 MET 91 2HB MET 91 2.316 -15.007 9.596 728 HB3 MET 91 3HB MET 91 2.355 -15.310 11.331 729 HG2 MET 91 2HG MET 91 0.283 -16.639 11.139 730 HG3 MET 91 3HG MET 91 0.263 -16.334 9.398 731 HE1 MET 91 3HE MET 91 0.104 -18.959 8.928 732 HE2 MET 91 1HE MET 91 0.114 -19.264 10.664 733 HE3 MET 91 2HE MET 91 1.230 -20.133 9.609 734 H VAL 92 H VAL 92 1.327 -11.907 9.181 735 HA VAL 92 HA VAL 92 3.343 -10.631 10.892 736 HB VAL 92 HB VAL 92 2.345 -9.818 8.109 737 HG11 VAL 92 1HG1 VAL 92 4.751 -8.798 9.670 738 HG12 VAL 92 2HG1 VAL 92 3.268 -7.894 9.355 739 HG13 VAL 92 3HG1 VAL 92 4.323 -8.350 8.016 740 HG21 VAL 92 3HG2 VAL 92 4.896 -11.280 8.903 741 HG22 VAL 92 1HG2 VAL 92 4.463 -10.767 7.271 742 HG23 VAL 92 2HG2 VAL 92 3.505 -12.001 8.090 743 H HIS 93 H HIS 93 3.063 -8.497 11.755 744 HA HIS 93 HA HIS 93 0.243 -7.843 12.389 745 HB2 HIS 93 2HB HIS 93 1.901 -8.617 14.174 746 HB3 HIS 93 3HB HIS 93 2.798 -7.137 13.901 747 HD1 HIS 93 HD1 HIS 93 2.380 -5.572 15.758 748 HD2 HIS 93 HD2 HIS 93 -0.995 -7.831 14.879 749 HE1 HIS 93 HE1 HIS 93 0.652 -4.897 17.453 750 HE2 HIS 93 HE2 HIS 93 -1.270 -6.479 17.050 751 H TRP 94 H TRP 94 -0.488 -5.652 12.305 752 HA TRP 94 HA TRP 94 0.573 -4.066 10.199 753 HB2 TRP 94 2HB TRP 94 -1.676 -3.622 12.179 754 HB3 TRP 94 3HB TRP 94 -1.203 -2.329 11.086 755 HD1 TRP 94 HD1 TRP 94 -3.665 -4.964 11.282 756 HE1 TRP 94 HE1 TRP 94 -4.610 -5.554 8.968 757 HE3 TRP 94 HE3 TRP 94 -0.137 -2.689 8.345 758 HZ2 TRP 94 HZ2 TRP 94 -3.954 -5.132 6.278 759 HZ3 TRP 94 HZ3 TRP 94 -0.372 -2.845 5.897 760 HH2 TRP 94 HH2 TRP 94 -2.248 -4.046 4.894 761 H ASN 95 H ASN 95 1.263 -3.973 13.586 762 HA ASN 95 HA ASN 95 1.666 -1.214 13.985 763 HB2 ASN 95 2HB ASN 95 1.370 -2.935 15.786 764 HB3 ASN 95 3HB ASN 95 3.003 -3.508 15.479 765 HD21 ASN 95 1HD2 ASN 95 4.737 -2.319 16.303 766 HD22 ASN 95 2HD2 ASN 95 4.539 -0.981 17.377 767 H SER 96 H SER 96 3.695 -3.561 12.414 768 HA SER 96 HA SER 96 6.065 -1.822 12.382 769 HB2 SER 96 2HB SER 96 5.600 -4.548 11.102 770 HB3 SER 96 3HB SER 96 7.136 -3.676 11.118 771 HG SER 96 HG SER 96 7.361 -4.882 12.850 772 H ILE 97 H ILE 97 3.363 -2.721 10.308 773 HA ILE 97 HA ILE 97 4.771 -2.167 7.822 774 HB ILE 97 HB ILE 97 1.838 -2.946 8.212 775 HG12 ILE 97 2HG1 ILE 97 4.252 -4.747 7.700 776 HG13 ILE 97 3HG1 ILE 97 3.313 -4.683 9.187 777 HG21 ILE 97 1HG2 ILE 97 1.927 -3.678 5.860 778 HG22 ILE 97 2HG2 ILE 97 3.606 -3.149 5.744 779 HG23 ILE 97 3HG2 ILE 97 2.327 -1.964 5.998 780 HD11 ILE 97 3HD1 ILE 97 1.353 -5.521 7.957 781 HD12 ILE 97 1HD1 ILE 97 2.725 -6.624 7.903 782 HD13 ILE 97 2HD1 ILE 97 2.341 -5.639 6.497 783 H LYS 98 H LYS 98 1.975 -0.842 9.615 784 HA LYS 98 HA LYS 98 0.993 1.002 7.814 785 HB2 LYS 98 2HB LYS 98 0.930 1.194 10.843 786 HB3 LYS 98 3HB LYS 98 -0.038 2.191 9.758 787 HG2 LYS 98 2HG LYS 98 -1.146 0.151 8.894 788 HG3 LYS 98 3HG LYS 98 -0.197 -0.823 10.028 789 HD2 LYS 98 2HD LYS 98 -2.430 -0.410 10.947 790 HD3 LYS 98 3HD LYS 98 -1.213 0.409 11.929 791 HE2 LYS 98 2HE LYS 98 -1.733 2.539 10.708 792 HE3 LYS 98 3HE LYS 98 -3.018 1.695 9.845 793 HZ1 LYS 98 3HZ LYS 98 -3.966 2.868 11.665 794 HZ2 LYS 98 1HZ LYS 98 -2.865 2.214 12.766 795 HZ3 LYS 98 2HZ LYS 98 -4.032 1.229 12.045 796 HA PRO 99 HA PRO 99 3.606 4.675 9.948 797 HB2 PRO 99 2HB PRO 99 6.159 3.936 10.848 798 HB3 PRO 99 3HB PRO 99 4.742 4.105 11.902 799 HG2 PRO 99 2HG PRO 99 5.878 1.605 10.680 800 HG3 PRO 99 3HG PRO 99 5.320 1.890 12.349 801 HD2 PRO 99 2HD PRO 99 3.730 0.610 10.631 802 HD3 PRO 99 3HD PRO 99 3.044 1.811 11.749 803 H GLU 100 H GLU 100 5.356 1.987 8.452 804 HA GLU 100 HA GLU 100 7.182 3.413 6.881 805 HB2 GLU 100 2HB GLU 100 5.921 0.707 6.256 806 HB3 GLU 100 3HB GLU 100 7.454 1.313 5.637 807 HG2 GLU 100 2HG GLU 100 6.805 0.540 8.493 808 HG3 GLU 100 3HG GLU 100 7.886 -0.301 7.384 809 H ILE 101 H ILE 101 4.023 2.005 6.029 810 HA ILE 101 HA ILE 101 3.891 2.860 3.352 811 HB ILE 101 HB ILE 101 1.659 2.140 5.303 812 HG12 ILE 101 2HG1 ILE 101 3.081 0.497 3.158 813 HG13 ILE 101 3HG1 ILE 101 3.277 0.312 4.899 814 HG21 ILE 101 1HG2 ILE 101 0.196 1.778 3.341 815 HG22 ILE 101 2HG2 ILE 101 1.465 2.392 2.279 816 HG23 ILE 101 3HG2 ILE 101 0.709 3.468 3.454 817 HD11 ILE 101 3HD1 ILE 101 0.784 -0.218 3.313 818 HD12 ILE 101 1HD1 ILE 101 0.923 -0.350 5.066 819 HD13 ILE 101 2HD1 ILE 101 1.866 -1.412 4.022 820 H ILE 102 H ILE 102 2.370 4.322 6.275 821 HA ILE 102 HA ILE 102 0.989 6.418 5.064 822 HB ILE 102 HB ILE 102 2.182 6.247 7.870 823 HG12 ILE 102 2HG1 ILE 102 -0.684 5.754 6.919 824 HG13 ILE 102 3HG1 ILE 102 0.491 4.480 7.225 825 HG21 ILE 102 1HG2 ILE 102 0.109 8.217 6.834 826 HG22 ILE 102 2HG2 ILE 102 1.755 8.608 7.336 827 HG23 ILE 102 3HG2 ILE 102 0.585 8.031 8.523 828 HD11 ILE 102 3HD1 ILE 102 -1.035 4.695 9.073 829 HD12 ILE 102 1HD1 ILE 102 -0.620 6.401 9.261 830 HD13 ILE 102 2HD1 ILE 102 0.592 5.155 9.576 831 H ASP 103 H ASP 103 4.313 6.353 6.364 832 HA ASP 103 HA ASP 103 5.043 9.032 5.941 833 HB2 ASP 103 2HB ASP 103 6.355 7.278 7.248 834 HB3 ASP 103 3HB ASP 103 6.927 6.632 5.715 835 H LEU 104 H LEU 104 5.410 6.185 3.869 836 HA LEU 104 HA LEU 104 6.684 7.307 1.650 837 HB2 LEU 104 2HB LEU 104 4.846 4.908 1.930 838 HB3 LEU 104 3HB LEU 104 5.658 5.289 0.420 839 HG LEU 104 HG LEU 104 7.124 4.715 3.025 840 HD11 LEU 104 1HD1 LEU 104 7.657 2.511 2.095 841 HD12 LEU 104 2HD1 LEU 104 6.631 2.836 0.694 842 HD13 LEU 104 3HD1 LEU 104 5.917 2.709 2.305 843 HD21 LEU 104 3HD2 LEU 104 8.115 4.972 0.172 844 HD22 LEU 104 1HD2 LEU 104 9.089 4.477 1.555 845 HD23 LEU 104 2HD2 LEU 104 8.410 6.097 1.501 846 H LEU 105 H LEU 105 3.189 6.953 2.316 847 HA LEU 105 HA LEU 105 2.242 7.832 -0.217 848 HB2 LEU 105 2HB LEU 105 0.980 7.340 2.477 849 HB3 LEU 105 3HB LEU 105 0.078 8.329 1.346 850 HG LEU 105 HG LEU 105 0.045 6.476 -0.296 851 HD11 LEU 105 1HD1 LEU 105 1.434 4.807 1.803 852 HD12 LEU 105 2HD1 LEU 105 2.133 5.350 0.276 853 HD13 LEU 105 3HD1 LEU 105 0.775 4.227 0.271 854 HD21 LEU 105 3HD2 LEU 105 -1.807 6.703 1.292 855 HD22 LEU 105 1HD2 LEU 105 -0.968 5.660 2.445 856 HD23 LEU 105 2HD2 LEU 105 -1.522 5.010 0.900 857 H THR 106 H THR 106 3.170 9.581 2.705 858 HA THR 106 HA THR 106 1.821 12.052 2.057 859 HB THR 106 HB THR 106 3.978 11.455 4.136 860 HG1 THR 106 HG1 THR 106 1.877 10.327 4.264 861 HG21 THR 106 3HG2 THR 106 3.158 13.496 5.294 862 HG22 THR 106 1HG2 THR 106 2.080 13.826 3.931 863 HG23 THR 106 2HG2 THR 106 3.829 13.884 3.708 864 H LYS 107 H LYS 107 5.065 10.674 1.679 865 HA LYS 107 HA LYS 107 6.352 13.086 0.760 866 HB2 LYS 107 2HB LYS 107 7.271 10.185 0.445 867 HB3 LYS 107 3HB LYS 107 8.262 11.612 0.166 868 HG2 LYS 107 2HG LYS 107 7.146 10.683 2.828 869 HG3 LYS 107 3HG LYS 107 8.825 10.583 2.299 870 HD2 LYS 107 2HD LYS 107 8.902 13.088 2.224 871 HD3 LYS 107 3HD LYS 107 7.256 13.131 2.863 872 HE2 LYS 107 2HE LYS 107 9.709 12.002 4.268 873 HE3 LYS 107 3HE LYS 107 8.868 13.500 4.665 874 HZ1 LYS 107 3HZ LYS 107 6.913 12.196 5.258 875 HZ2 LYS 107 1HZ LYS 107 8.256 11.732 6.169 876 HZ3 LYS 107 2HZ LYS 107 7.734 10.763 4.891 877 H GLN 108 H GLN 108 5.099 10.147 -0.776 878 HA GLN 108 HA GLN 108 5.884 10.398 -3.412 879 HB2 GLN 108 2HB GLN 108 4.937 8.335 -2.745 880 HB3 GLN 108 3HB GLN 108 3.516 9.101 -2.046 881 HG2 GLN 108 2HG GLN 108 2.694 9.613 -4.328 882 HG3 GLN 108 3HG GLN 108 4.097 8.781 -5.002 883 HE21 GLN 108 1HE2 GLN 108 4.136 6.570 -5.008 884 HE22 GLN 108 2HE2 GLN 108 2.791 5.595 -4.550 885 H LEU 109 H LEU 109 2.696 11.287 -2.126 886 HA LEU 109 HA LEU 109 1.691 12.487 -4.468 887 HB2 LEU 109 2HB LEU 109 0.874 12.744 -1.559 888 HB3 LEU 109 3HB LEU 109 -0.058 13.440 -2.871 889 HG LEU 109 HG LEU 109 0.479 10.447 -2.571 890 HD11 LEU 109 1HD1 LEU 109 -1.854 10.256 -1.800 891 HD12 LEU 109 2HD1 LEU 109 -2.016 12.014 -1.827 892 HD13 LEU 109 3HD1 LEU 109 -0.894 11.249 -0.701 893 HD21 LEU 109 3HD2 LEU 109 -1.303 10.182 -4.249 894 HD22 LEU 109 1HD2 LEU 109 0.038 11.131 -4.897 895 HD23 LEU 109 2HD2 LEU 109 -1.453 11.938 -4.389 896 H ALA 110 H ALA 110 3.713 13.728 -1.923 897 HA ALA 110 HA ALA 110 3.272 16.544 -2.459 898 HB1 ALA 110 3HB ALA 110 4.929 16.919 -0.696 899 HB2 ALA 110 1HB ALA 110 5.331 15.196 -0.672 900 HB3 ALA 110 2HB ALA 110 3.727 15.740 -0.177 901 H TYR 111 H TYR 111 5.285 14.106 -3.830 902 HA TYR 111 HA TYR 111 7.236 15.939 -4.960 903 HB2 TYR 111 2HB TYR 111 6.545 13.072 -5.745 904 HB3 TYR 111 3HB TYR 111 7.913 13.988 -6.366 905 HD1 TYR 111 HD2 TYR 111 9.058 15.252 -3.974 906 HD2 TYR 111 HD1 TYR 111 7.453 11.312 -4.437 907 HE1 TYR 111 HE2 TYR 111 10.451 14.458 -2.117 908 HE2 TYR 111 HE1 TYR 111 8.859 10.527 -2.575 909 HH TYR 111 HH TYR 111 10.893 11.155 -1.412 910 H GLY 112 H GLY 112 3.995 15.096 -5.628 911 HA2 GLY 112 2HA GLY 112 2.778 16.590 -7.117 912 HA3 GLY 112 3HA GLY 112 4.092 16.449 -8.276 913 H GLU 113 H GLU 113 4.328 13.521 -7.678 914 HA GLU 113 HA GLU 113 2.331 12.616 -9.610 915 HB2 GLU 113 2HB GLU 113 4.882 11.337 -8.546 916 HB3 GLU 113 3HB GLU 113 3.778 10.519 -9.654 917 HG2 GLU 113 2HG GLU 113 5.351 13.053 -10.190 918 HG3 GLU 113 3HG GLU 113 5.603 11.468 -10.920 919 H ASP 114 H ASP 114 1.920 10.107 -9.242 920 HA ASP 114 HA ASP 114 0.191 10.010 -6.847 921 HB2 ASP 114 2HB ASP 114 -0.181 8.756 -9.607 922 HB3 ASP 114 3HB ASP 114 -1.318 8.648 -8.271 923 H VAL 115 H VAL 115 -0.660 7.486 -6.856 924 HA VAL 115 HA VAL 115 1.305 5.954 -5.608 925 HB VAL 115 HB VAL 115 -1.069 5.603 -5.145 926 HG11 VAL 115 1HG1 VAL 115 -2.600 4.471 -6.694 927 HG12 VAL 115 2HG1 VAL 115 -1.340 4.425 -7.930 928 HG13 VAL 115 3HG1 VAL 115 -1.988 5.974 -7.392 929 HG21 VAL 115 3HG2 VAL 115 -1.141 3.136 -5.081 930 HG22 VAL 115 1HG2 VAL 115 0.463 3.740 -4.655 931 HG23 VAL 115 2HG2 VAL 115 0.179 3.060 -6.253 932 H ILE 116 H ILE 116 0.098 5.759 -8.932 933 HA ILE 116 HA ILE 116 2.427 4.143 -9.782 934 HB ILE 116 HB ILE 116 -0.447 3.698 -10.765 935 HG12 ILE 116 2HG1 ILE 116 1.254 1.971 -8.916 936 HG13 ILE 116 3HG1 ILE 116 -0.238 2.801 -8.498 937 HG21 ILE 116 1HG2 ILE 116 2.089 2.152 -11.442 938 HG22 ILE 116 2HG2 ILE 116 1.244 3.273 -12.513 939 HG23 ILE 116 3HG2 ILE 116 0.460 1.776 -12.016 940 HD11 ILE 116 3HD1 ILE 116 -1.469 1.334 -10.022 941 HD12 ILE 116 1HD1 ILE 116 -0.610 0.441 -8.769 942 HD13 ILE 116 2HD1 ILE 116 0.032 0.487 -10.409 943 H SER 117 H SER 117 3.123 4.672 -11.936 944 HA SER 117 HA SER 117 2.535 7.228 -13.034 945 HB2 SER 117 2HB SER 117 3.847 4.826 -14.398 946 HB3 SER 117 3HB SER 117 3.991 6.522 -14.888 947 HG SER 117 HG SER 117 4.767 6.695 -12.524 948 H LYS 118 H LYS 118 0.314 7.339 -13.279 949 HA LYS 118 HA LYS 118 -1.301 5.464 -14.668 950 HB2 LYS 118 2HB LYS 118 -3.154 6.993 -14.368 951 HB3 LYS 118 3HB LYS 118 -2.200 6.987 -12.904 952 HG2 LYS 118 2HG LYS 118 -2.202 9.203 -14.981 953 HG3 LYS 118 3HG LYS 118 -3.083 9.227 -13.455 954 HD2 LYS 118 2HD LYS 118 -1.029 9.295 -12.186 955 HD3 LYS 118 3HD LYS 118 -0.058 9.017 -13.637 956 HE2 LYS 118 2HE LYS 118 -0.787 11.199 -14.543 957 HE3 LYS 118 3HE LYS 118 -1.736 11.489 -13.082 958 HZ1 LYS 118 3HZ LYS 118 1.219 11.173 -13.215 959 HZ2 LYS 118 1HZ LYS 118 0.325 11.388 -11.798 960 HZ3 LYS 118 2HZ LYS 118 0.372 12.616 -12.954 961 H GLU 119 H GLU 119 -0.561 5.015 -16.691 962 HA GLU 119 HA GLU 119 -0.464 7.222 -18.681 963 HB2 GLU 119 2HB GLU 119 0.972 4.527 -18.845 964 HB3 GLU 119 3HB GLU 119 1.119 5.863 -19.975 965 HG2 GLU 119 2HG GLU 119 2.061 5.858 -17.094 966 HG3 GLU 119 3HG GLU 119 3.080 5.706 -18.522 Start of MODEL 3 1 H1 MET 1 1H MET 1 -10.804 57.753 30.230 2 H2 MET 1 2H MET 1 -9.240 58.351 30.442 3 H3 MET 1 3H MET 1 -9.532 56.693 30.572 4 HA MET 1 HA MET 1 -10.116 56.561 28.248 5 HB2 MET 1 2HB MET 1 -9.401 59.530 28.249 6 HB3 MET 1 3HB MET 1 -9.692 58.584 26.796 7 HG2 MET 1 2HG MET 1 -12.033 58.184 27.584 8 HG3 MET 1 3HG MET 1 -11.712 59.251 28.954 9 HE1 MET 1 3HE MET 1 -11.158 61.892 28.674 10 HE2 MET 1 1HE MET 1 -11.114 62.711 27.111 11 HE3 MET 1 2HE MET 1 -9.863 61.543 27.526 12 H GLY 2 H GLY 2 -8.302 57.110 26.381 13 HA2 GLY 2 2HA GLY 2 -5.865 57.732 26.223 14 HA3 GLY 2 3HA GLY 2 -5.615 56.616 27.561 15 H HIS 3 H HIS 3 -6.041 54.359 27.217 16 HA HIS 3 HA HIS 3 -6.287 53.397 24.451 17 HB2 HIS 3 2HB HIS 3 -3.813 53.646 24.992 18 HB3 HIS 3 3HB HIS 3 -4.019 52.474 26.286 19 HD1 HIS 3 HD1 HIS 3 -3.595 52.784 22.624 20 HD2 HIS 3 HD2 HIS 3 -4.472 49.770 25.344 21 HE1 HIS 3 HE1 HIS 3 -3.278 50.636 21.384 22 HE2 HIS 3 HE2 HIS 3 -3.718 48.826 23.071 23 H HIS 4 H HIS 4 -7.421 51.495 24.321 24 HA HIS 4 HA HIS 4 -8.915 50.684 26.629 25 HB2 HIS 4 2HB HIS 4 -8.918 49.654 23.767 26 HB3 HIS 4 3HB HIS 4 -10.025 49.093 25.013 27 HD1 HIS 4 HD1 HIS 4 -9.763 51.582 22.396 28 HD2 HIS 4 HD2 HIS 4 -11.696 51.317 26.066 29 HE1 HIS 4 HE1 HIS 4 -11.584 53.312 22.336 30 HE2 HIS 4 HE2 HIS 4 -12.601 53.259 24.634 31 H HIS 5 H HIS 5 -7.251 48.462 24.332 32 HA HIS 5 HA HIS 5 -6.174 46.847 26.562 33 HB2 HIS 5 2HB HIS 5 -8.132 45.825 24.462 34 HB3 HIS 5 3HB HIS 5 -7.116 44.753 25.414 35 HD1 HIS 5 HD1 HIS 5 -10.443 45.512 25.377 36 HD2 HIS 5 HD2 HIS 5 -7.607 45.844 28.397 37 HE1 HIS 5 HE1 HIS 5 -11.721 45.417 27.535 38 HE2 HIS 5 HE2 HIS 5 -9.994 45.717 29.335 39 H HIS 6 H HIS 6 -4.890 44.914 25.618 40 HA HIS 6 HA HIS 6 -3.054 45.940 23.569 41 HB2 HIS 6 2HB HIS 6 -2.094 45.194 25.716 42 HB3 HIS 6 3HB HIS 6 -2.806 43.604 25.504 43 HD1 HIS 6 HD1 HIS 6 -1.155 41.922 24.716 44 HD2 HIS 6 HD2 HIS 6 -0.202 45.738 23.376 45 HE1 HIS 6 HE1 HIS 6 0.993 41.679 23.441 46 HE2 HIS 6 HE2 HIS 6 1.609 44.020 22.751 47 H HIS 7 H HIS 7 -2.634 44.902 21.658 48 HA HIS 7 HA HIS 7 -4.557 43.125 20.530 49 HB2 HIS 7 2HB HIS 7 -3.396 44.817 19.157 50 HB3 HIS 7 3HB HIS 7 -1.847 44.052 19.476 51 HD1 HIS 7 HD1 HIS 7 -1.270 41.922 18.129 52 HD2 HIS 7 HD2 HIS 7 -5.000 43.511 17.204 53 HE1 HIS 7 HE1 HIS 7 -2.025 40.727 16.059 54 HE2 HIS 7 HE2 HIS 7 -4.337 41.597 15.610 55 H HIS 8 H HIS 8 -4.501 40.949 20.308 56 HA HIS 8 HA HIS 8 -2.321 39.390 21.514 57 HB2 HIS 8 2HB HIS 8 -5.068 38.532 20.485 58 HB3 HIS 8 3HB HIS 8 -3.907 37.467 21.265 59 HD1 HIS 8 HD1 HIS 8 -4.288 37.141 23.691 60 HD2 HIS 8 HD2 HIS 8 -5.882 40.748 22.376 61 HE1 HIS 8 HE1 HIS 8 -5.471 38.125 25.671 62 HE2 HIS 8 HE2 HIS 8 -6.507 40.256 24.829 63 H SER 9 H SER 9 -0.652 39.262 20.059 64 HA SER 9 HA SER 9 -1.148 38.685 17.218 65 HB2 SER 9 2HB SER 9 1.475 39.215 18.687 66 HB3 SER 9 3HB SER 9 1.276 39.079 16.937 67 HG SER 9 HG SER 9 1.256 41.258 18.055 68 H HIS 10 H HIS 10 -1.204 36.656 16.518 69 HA HIS 10 HA HIS 10 0.372 34.506 17.702 70 HB2 HIS 10 2HB HIS 10 -1.666 33.050 18.069 71 HB3 HIS 10 3HB HIS 10 -1.564 34.417 19.174 72 HD1 HIS 10 HD1 HIS 10 -3.565 33.090 16.293 73 HD2 HIS 10 HD2 HIS 10 -3.663 36.286 18.944 74 HE1 HIS 10 HE1 HIS 10 -5.823 34.137 16.006 75 HE2 HIS 10 HE2 HIS 10 -5.884 36.025 17.660 76 H MET 11 H MET 11 0.857 32.952 16.241 77 HA MET 11 HA MET 11 -0.594 32.709 13.705 78 HB2 MET 11 2HB MET 11 1.070 34.454 13.213 79 HB3 MET 11 3HB MET 11 2.360 33.463 13.877 80 HG2 MET 11 2HG MET 11 2.049 31.836 12.036 81 HG3 MET 11 3HG MET 11 0.757 32.844 11.378 82 HE1 MET 11 3HE MET 11 3.311 31.854 9.688 83 HE2 MET 11 1HE MET 11 3.737 33.332 8.819 84 HE3 MET 11 2HE MET 11 2.045 32.865 8.987 85 H ASN 12 H ASN 12 -0.821 30.600 13.300 86 HA ASN 12 HA ASN 12 1.344 28.671 13.890 87 HB2 ASN 12 2HB ASN 12 -1.607 28.225 14.570 88 HB3 ASN 12 3HB ASN 12 -0.367 26.975 14.621 89 HD21 ASN 12 1HD2 ASN 12 -1.590 29.866 16.144 90 HD22 ASN 12 2HD2 ASN 12 -0.721 29.695 17.623 91 H SER 13 H SER 13 1.555 27.105 12.278 92 HA SER 13 HA SER 13 -0.522 26.793 10.233 93 HB2 SER 13 2HB SER 13 2.356 27.566 9.566 94 HB3 SER 13 3HB SER 13 1.137 27.086 8.380 95 HG SER 13 HG SER 13 -0.054 28.950 9.624 96 H GLN 14 H GLN 14 -0.693 24.738 9.577 97 HA GLN 14 HA GLN 14 1.504 22.829 9.777 98 HB2 GLN 14 2HB GLN 14 0.481 22.572 11.994 99 HB3 GLN 14 3HB GLN 14 -1.125 22.443 11.295 100 HG2 GLN 14 2HG GLN 14 -0.351 20.241 11.988 101 HG3 GLN 14 3HG GLN 14 -0.488 20.292 10.230 102 HE21 GLN 14 1HE2 GLN 14 0.969 18.637 9.850 103 HE22 GLN 14 2HE2 GLN 14 2.659 18.746 10.181 104 H ARG 15 H ARG 15 1.546 21.955 7.841 105 HA ARG 15 HA ARG 15 -0.958 21.050 6.549 106 HB2 ARG 15 2HB ARG 15 -0.063 21.649 4.314 107 HB3 ARG 15 3HB ARG 15 -0.284 23.072 5.328 108 HG2 ARG 15 2HG ARG 15 2.146 23.133 5.776 109 HG3 ARG 15 3HG ARG 15 2.368 21.697 4.772 110 HD2 ARG 15 2HD ARG 15 1.507 22.969 2.807 111 HD3 ARG 15 3HD ARG 15 1.340 24.403 3.827 112 HE ARG 15 HE ARG 15 3.959 23.097 3.449 113 HH11 ARG 15 1HH1 ARG 15 1.980 26.002 3.133 114 HH12 ARG 15 2HH1 ARG 15 3.318 27.009 2.715 115 HH21 ARG 15 1HH2 ARG 15 5.701 24.453 2.884 116 HH22 ARG 15 2HH2 ARG 15 5.425 26.132 2.574 117 H LEU 16 H LEU 16 -0.883 19.009 5.834 118 HA LEU 16 HA LEU 16 1.557 17.606 5.242 119 HB2 LEU 16 2HB LEU 16 1.505 15.902 6.927 120 HB3 LEU 16 3HB LEU 16 1.509 17.442 7.760 121 HG LEU 16 HG LEU 16 -0.980 15.719 7.375 122 HD11 LEU 16 1HD1 LEU 16 -0.749 15.072 9.733 123 HD12 LEU 16 2HD1 LEU 16 0.796 15.926 9.826 124 HD13 LEU 16 3HD1 LEU 16 0.620 14.521 8.769 125 HD21 LEU 16 3HD2 LEU 16 -1.992 17.126 9.114 126 HD22 LEU 16 1HD2 LEU 16 -1.521 18.084 7.714 127 HD23 LEU 16 2HD2 LEU 16 -0.533 18.123 9.178 128 H ILE 17 H ILE 17 1.182 15.509 4.335 129 HA ILE 17 HA ILE 17 -1.234 15.255 2.844 130 HB ILE 17 HB ILE 17 1.031 13.268 3.291 131 HG12 ILE 17 2HG1 ILE 17 1.805 15.314 2.150 132 HG13 ILE 17 3HG1 ILE 17 1.833 13.951 1.042 133 HG21 ILE 17 1HG2 ILE 17 0.205 12.055 1.310 134 HG22 ILE 17 2HG2 ILE 17 -1.200 13.126 1.233 135 HG23 ILE 17 3HG2 ILE 17 -0.976 12.056 2.620 136 HD11 ILE 17 3HD1 ILE 17 -0.277 14.785 0.049 137 HD12 ILE 17 1HD1 ILE 17 1.083 15.901 -0.086 138 HD13 ILE 17 2HD1 ILE 17 -0.171 16.192 1.114 139 H HIS 18 H HIS 18 -3.070 14.772 3.813 140 HA HIS 18 HA HIS 18 -3.341 13.444 6.338 141 HB2 HIS 18 2HB HIS 18 -5.490 14.265 4.336 142 HB3 HIS 18 3HB HIS 18 -5.761 13.815 6.017 143 HD1 HIS 18 HD1 HIS 18 -4.848 16.659 3.840 144 HD2 HIS 18 HD2 HIS 18 -4.896 15.805 7.907 145 HE1 HIS 18 HE1 HIS 18 -4.716 18.881 5.000 146 HE2 HIS 18 HE2 HIS 18 -4.949 18.341 7.446 147 H ILE 19 H ILE 19 -3.324 11.334 6.595 148 HA ILE 19 HA ILE 19 -4.344 9.488 4.511 149 HB ILE 19 HB ILE 19 -1.948 8.990 6.351 150 HG12 ILE 19 2HG1 ILE 19 -1.334 10.528 4.507 151 HG13 ILE 19 3HG1 ILE 19 -0.554 8.966 4.292 152 HG21 ILE 19 1HG2 ILE 19 -1.670 6.854 5.118 153 HG22 ILE 19 2HG2 ILE 19 -3.160 7.188 4.228 154 HG23 ILE 19 3HG2 ILE 19 -3.214 6.931 5.973 155 HD11 ILE 19 3HD1 ILE 19 -2.223 8.386 2.588 156 HD12 ILE 19 1HD1 ILE 19 -1.339 9.862 2.202 157 HD13 ILE 19 2HD1 ILE 19 -2.986 9.967 2.819 158 H LYS 20 H LYS 20 -6.153 8.564 5.313 159 HA LYS 20 HA LYS 20 -6.606 8.420 8.211 160 HB2 LYS 20 2HB LYS 20 -8.278 9.603 6.804 161 HB3 LYS 20 3HB LYS 20 -8.548 8.124 5.889 162 HG2 LYS 20 2HG LYS 20 -9.420 7.027 7.939 163 HG3 LYS 20 3HG LYS 20 -9.140 8.518 8.845 164 HD2 LYS 20 2HD LYS 20 -11.056 8.180 6.501 165 HD3 LYS 20 3HD LYS 20 -11.517 8.277 8.203 166 HE2 LYS 20 2HE LYS 20 -10.561 10.594 8.281 167 HE3 LYS 20 3HE LYS 20 -10.220 10.478 6.552 168 HZ1 LYS 20 3HZ LYS 20 -12.560 10.250 6.116 169 HZ2 LYS 20 1HZ LYS 20 -12.288 11.654 7.015 170 HZ3 LYS 20 2HZ LYS 20 -12.922 10.279 7.764 171 H THR 21 H THR 21 -6.721 6.519 9.232 172 HA THR 21 HA THR 21 -6.219 4.030 7.752 173 HB THR 21 HB THR 21 -6.129 4.559 10.754 174 HG1 THR 21 HG1 THR 21 -4.239 4.899 8.698 175 HG21 THR 21 3HG2 THR 21 -6.377 2.148 10.195 176 HG22 THR 21 1HG2 THR 21 -4.788 2.498 10.885 177 HG23 THR 21 2HG2 THR 21 -4.961 2.255 9.146 178 H LEU 22 H LEU 22 -7.944 2.834 7.219 179 HA LEU 22 HA LEU 22 -10.426 2.934 8.832 180 HB2 LEU 22 2HB LEU 22 -10.080 2.861 5.811 181 HB3 LEU 22 3HB LEU 22 -11.613 2.519 6.601 182 HG LEU 22 HG LEU 22 -10.121 5.172 6.745 183 HD11 LEU 22 1HD1 LEU 22 -12.622 4.461 5.192 184 HD12 LEU 22 2HD1 LEU 22 -11.021 4.772 4.515 185 HD13 LEU 22 3HD1 LEU 22 -11.893 6.067 5.331 186 HD21 LEU 22 3HD2 LEU 22 -11.396 4.764 8.780 187 HD22 LEU 22 1HD2 LEU 22 -12.848 4.397 7.838 188 HD23 LEU 22 2HD2 LEU 22 -12.164 6.025 7.824 189 H THR 23 H THR 23 -11.329 1.032 9.345 190 HA THR 23 HA THR 23 -9.924 -1.446 8.799 191 HB THR 23 HB THR 23 -11.634 -2.414 10.396 192 HG1 THR 23 HG1 THR 23 -13.412 -1.168 10.281 193 HG21 THR 23 3HG2 THR 23 -10.826 -1.275 12.417 194 HG22 THR 23 1HG2 THR 23 -10.242 0.078 11.444 195 HG23 THR 23 2HG2 THR 23 -9.496 -1.513 11.280 196 H THR 24 H THR 24 -10.942 -3.333 7.967 197 HA THR 24 HA THR 24 -13.285 -2.933 6.177 198 HB THR 24 HB THR 24 -12.233 -4.506 4.594 199 HG1 THR 24 HG1 THR 24 -10.026 -4.584 6.403 200 HG21 THR 24 3HG2 THR 24 -11.582 -2.134 4.271 201 HG22 THR 24 1HG2 THR 24 -10.265 -3.219 3.818 202 HG23 THR 24 2HG2 THR 24 -10.209 -2.359 5.358 203 HA PRO 25 HA PRO 25 -14.684 -6.878 8.231 204 HB2 PRO 25 2HB PRO 25 -15.677 -8.446 6.197 205 HB3 PRO 25 3HB PRO 25 -16.532 -7.003 6.792 206 HG2 PRO 25 2HG PRO 25 -14.714 -7.254 4.393 207 HG3 PRO 25 3HG PRO 25 -16.329 -6.509 4.503 208 HD2 PRO 25 2HD PRO 25 -14.103 -4.990 4.601 209 HD3 PRO 25 3HD PRO 25 -15.526 -4.586 5.582 210 H ASN 26 H ASN 26 -11.992 -6.679 6.305 211 HA ASN 26 HA ASN 26 -11.169 -9.496 6.631 212 HB2 ASN 26 2HB ASN 26 -10.126 -7.319 4.776 213 HB3 ASN 26 3HB ASN 26 -9.376 -8.905 4.936 214 HD21 ASN 26 1HD2 ASN 26 -10.682 -7.578 2.621 215 HD22 ASN 26 2HD2 ASN 26 -11.897 -8.689 2.091 216 H GLU 27 H GLU 27 -9.528 -10.027 7.923 217 HA GLU 27 HA GLU 27 -8.260 -8.206 9.736 218 HB2 GLU 27 2HB GLU 27 -6.909 -10.259 10.394 219 HB3 GLU 27 3HB GLU 27 -8.655 -10.459 10.490 220 HG2 GLU 27 2HG GLU 27 -8.746 -11.849 8.591 221 HG3 GLU 27 3HG GLU 27 -7.170 -11.322 8.006 222 H ASN 28 H ASN 28 -7.458 -9.436 6.594 223 HA ASN 28 HA ASN 28 -4.657 -8.454 6.729 224 HB2 ASN 28 2HB ASN 28 -5.881 -10.581 4.903 225 HB3 ASN 28 3HB ASN 28 -4.212 -10.024 4.818 226 HD21 ASN 28 1HD2 ASN 28 -5.353 -12.707 5.374 227 HD22 ASN 28 2HD2 ASN 28 -4.677 -13.194 6.886 228 H ALA 29 H ALA 29 -7.137 -6.892 6.178 229 HA ALA 29 HA ALA 29 -6.031 -5.498 3.837 230 HB1 ALA 29 3HB ALA 29 -9.002 -6.063 4.113 231 HB2 ALA 29 1HB ALA 29 -7.916 -6.802 2.936 232 HB3 ALA 29 2HB ALA 29 -8.246 -5.070 2.867 233 H LEU 30 H LEU 30 -5.652 -3.430 4.354 234 HA LEU 30 HA LEU 30 -7.403 -2.035 6.297 235 HB2 LEU 30 2HB LEU 30 -5.234 -2.862 7.375 236 HB3 LEU 30 3HB LEU 30 -4.370 -1.777 6.305 237 HG LEU 30 HG LEU 30 -5.625 0.161 7.369 238 HD11 LEU 30 1HD1 LEU 30 -6.757 -0.175 9.504 239 HD12 LEU 30 2HD1 LEU 30 -6.537 -1.924 9.374 240 HD13 LEU 30 3HD1 LEU 30 -7.566 -1.067 8.220 241 HD21 LEU 30 3HD2 LEU 30 -4.245 0.223 9.385 242 HD22 LEU 30 1HD2 LEU 30 -3.328 -0.414 8.023 243 HD23 LEU 30 2HD2 LEU 30 -3.943 -1.514 9.258 244 H LYS 31 H LYS 31 -8.144 -0.252 5.426 245 HA LYS 31 HA LYS 31 -7.196 0.688 2.848 246 HB2 LYS 31 2HB LYS 31 -9.583 0.239 3.219 247 HB3 LYS 31 3HB LYS 31 -9.622 1.408 4.535 248 HG2 LYS 31 2HG LYS 31 -9.175 3.234 2.924 249 HG3 LYS 31 3HG LYS 31 -9.130 2.053 1.604 250 HD2 LYS 31 2HD LYS 31 -11.493 1.435 2.113 251 HD3 LYS 31 3HD LYS 31 -11.532 2.652 3.389 252 HE2 LYS 31 2HE LYS 31 -11.228 4.423 1.740 253 HE3 LYS 31 3HE LYS 31 -11.071 3.232 0.446 254 HZ1 LYS 31 3HZ LYS 31 -13.287 4.131 0.464 255 HZ2 LYS 31 1HZ LYS 31 -13.491 3.731 2.093 256 HZ3 LYS 31 2HZ LYS 31 -13.349 2.511 0.936 257 H PHE 32 H PHE 32 -5.754 2.284 2.725 258 HA PHE 32 HA PHE 32 -5.585 4.421 4.741 259 HB2 PHE 32 2HB PHE 32 -3.603 3.502 2.606 260 HB3 PHE 32 3HB PHE 32 -3.360 4.923 3.619 261 HD1 PHE 32 HD2 PHE 32 -3.543 1.214 3.617 262 HD2 PHE 32 HD1 PHE 32 -2.689 4.709 5.949 263 HE1 PHE 32 HE2 PHE 32 -2.560 -0.186 5.377 264 HE2 PHE 32 HE1 PHE 32 -1.708 3.293 7.697 265 HZ PHE 32 HZ PHE 32 -1.645 0.850 7.417 266 H LEU 33 H LEU 33 -6.663 6.200 4.211 267 HA LEU 33 HA LEU 33 -7.680 6.540 1.466 268 HB2 LEU 33 2HB LEU 33 -9.300 6.058 3.329 269 HB3 LEU 33 3HB LEU 33 -8.790 7.540 4.118 270 HG LEU 33 HG LEU 33 -9.649 8.826 2.100 271 HD11 LEU 33 1HD1 LEU 33 -10.810 6.146 1.293 272 HD12 LEU 33 2HD1 LEU 33 -9.558 7.052 0.440 273 HD13 LEU 33 3HD1 LEU 33 -11.186 7.708 0.555 274 HD21 LEU 33 3HD2 LEU 33 -11.705 7.165 3.589 275 HD22 LEU 33 1HD2 LEU 33 -12.018 8.671 2.716 276 HD23 LEU 33 2HD2 LEU 33 -10.983 8.679 4.142 277 H SER 34 H SER 34 -6.987 8.288 0.353 278 HA SER 34 HA SER 34 -5.477 10.458 1.449 279 HB2 SER 34 2HB SER 34 -6.925 10.265 -1.241 280 HB3 SER 34 3HB SER 34 -5.661 11.426 -0.819 281 HG SER 34 HG SER 34 -4.345 9.972 -1.532 282 H THR 35 H THR 35 -6.462 11.863 2.826 283 HA THR 35 HA THR 35 -9.380 12.022 2.903 284 HB THR 35 HB THR 35 -7.379 13.258 4.839 285 HG1 THR 35 HG1 THR 35 -7.514 10.747 4.302 286 HG21 THR 35 3HG2 THR 35 -9.186 12.955 6.504 287 HG22 THR 35 1HG2 THR 35 -10.255 12.359 5.234 288 HG23 THR 35 2HG2 THR 35 -9.690 14.033 5.200 289 H ASP 36 H ASP 36 -6.822 13.901 1.640 290 HA ASP 36 HA ASP 36 -8.236 16.478 1.828 291 HB2 ASP 36 2HB ASP 36 -6.001 17.241 0.570 292 HB3 ASP 36 3HB ASP 36 -6.050 16.998 2.306 293 H GLY 37 H GLY 37 -6.608 14.643 -0.806 294 HA2 GLY 37 2HA GLY 37 -8.435 14.478 -2.740 295 HA3 GLY 37 3HA GLY 37 -8.040 16.187 -2.822 296 H GLU 38 H GLU 38 -5.169 15.079 -1.886 297 HA GLU 38 HA GLU 38 -4.013 14.695 -4.483 298 HB2 GLU 38 2HB GLU 38 -2.932 14.275 -1.665 299 HB3 GLU 38 3HB GLU 38 -1.983 13.881 -3.088 300 HG2 GLU 38 2HG GLU 38 -1.285 16.031 -2.274 301 HG3 GLU 38 3HG GLU 38 -2.101 16.246 -3.817 302 H MET 39 H MET 39 -4.524 12.947 -5.651 303 HA MET 39 HA MET 39 -5.318 10.432 -4.317 304 HB2 MET 39 2HB MET 39 -6.018 11.481 -7.101 305 HB3 MET 39 3HB MET 39 -6.631 9.995 -6.381 306 HG2 MET 39 2HG MET 39 -7.834 11.237 -4.686 307 HG3 MET 39 3HG MET 39 -7.105 12.749 -5.211 308 HE1 MET 39 3HE MET 39 -9.877 10.086 -5.873 309 HE2 MET 39 1HE MET 39 -8.749 9.738 -7.182 310 HE3 MET 39 2HE MET 39 -10.331 10.432 -7.533 311 H LEU 40 H LEU 40 -4.624 8.427 -5.157 312 HA LEU 40 HA LEU 40 -1.906 8.310 -6.033 313 HB2 LEU 40 2HB LEU 40 -4.003 6.137 -5.681 314 HB3 LEU 40 3HB LEU 40 -2.302 5.820 -5.996 315 HG LEU 40 HG LEU 40 -3.403 7.207 -3.515 316 HD11 LEU 40 1HD1 LEU 40 -2.311 4.402 -3.837 317 HD12 LEU 40 2HD1 LEU 40 -3.996 4.853 -3.552 318 HD13 LEU 40 3HD1 LEU 40 -2.783 5.168 -2.313 319 HD21 LEU 40 3HD2 LEU 40 -1.163 8.031 -4.066 320 HD22 LEU 40 1HD2 LEU 40 -0.549 6.377 -4.157 321 HD23 LEU 40 2HD2 LEU 40 -1.120 7.031 -2.618 322 H GLN 41 H GLN 41 -5.010 7.833 -7.665 323 HA GLN 41 HA GLN 41 -3.630 7.661 -10.290 324 HB2 GLN 41 2HB GLN 41 -5.880 5.899 -9.230 325 HB3 GLN 41 3HB GLN 41 -5.639 6.118 -10.961 326 HG2 GLN 41 2HG GLN 41 -3.560 4.988 -9.051 327 HG3 GLN 41 3HG GLN 41 -4.628 4.029 -10.078 328 HE21 GLN 41 1HE2 GLN 41 -1.891 6.215 -10.052 329 HE22 GLN 41 2HE2 GLN 41 -1.333 5.867 -11.645 330 H THR 42 H THR 42 -6.067 7.620 -11.821 331 HA THR 42 HA THR 42 -7.027 10.296 -11.797 332 HB THR 42 HB THR 42 -8.729 9.359 -13.451 333 HG1 THR 42 HG1 THR 42 -8.198 7.092 -14.072 334 HG21 THR 42 3HG2 THR 42 -6.556 10.168 -14.281 335 HG22 THR 42 1HG2 THR 42 -7.064 8.743 -15.193 336 HG23 THR 42 2HG2 THR 42 -5.822 8.597 -13.947 337 H ARG 43 H ARG 43 -9.990 9.531 -12.120 338 HA ARG 43 HA ARG 43 -10.631 8.970 -9.270 339 HB2 ARG 43 2HB ARG 43 -12.379 10.510 -11.230 340 HB3 ARG 43 3HB ARG 43 -12.683 10.243 -9.510 341 HG2 ARG 43 2HG ARG 43 -10.343 11.488 -9.238 342 HG3 ARG 43 3HG ARG 43 -10.724 12.119 -10.842 343 HD2 ARG 43 2HD ARG 43 -11.468 13.697 -9.155 344 HD3 ARG 43 3HD ARG 43 -12.886 12.977 -9.924 345 HE ARG 43 HE ARG 43 -12.495 11.393 -7.756 346 HH11 ARG 43 1HH1 ARG 43 -12.802 14.898 -8.067 347 HH12 ARG 43 2HH1 ARG 43 -13.493 15.088 -6.492 348 HH21 ARG 43 1HH2 ARG 43 -13.373 11.683 -5.678 349 HH22 ARG 43 2HH2 ARG 43 -13.817 13.269 -5.140 350 H GLY 44 H GLY 44 -12.199 7.439 -8.783 351 HA2 GLY 44 2HA GLY 44 -13.381 5.496 -9.012 352 HA3 GLY 44 3HA GLY 44 -13.868 6.075 -10.600 353 H SER 45 H SER 45 -10.703 5.145 -9.230 354 HA SER 45 HA SER 45 -9.864 3.871 -11.664 355 HB2 SER 45 2HB SER 45 -8.212 5.045 -10.282 356 HB3 SER 45 3HB SER 45 -8.557 3.999 -8.907 357 HG SER 45 HG SER 45 -7.510 2.350 -9.880 358 H LYS 46 H LYS 46 -9.374 1.713 -11.985 359 HA LYS 46 HA LYS 46 -10.992 -0.289 -10.742 360 HB2 LYS 46 2HB LYS 46 -9.757 -1.855 -12.225 361 HB3 LYS 46 3HB LYS 46 -10.329 -0.438 -13.103 362 HG2 LYS 46 2HG LYS 46 -8.027 0.551 -12.882 363 HG3 LYS 46 3HG LYS 46 -7.490 -0.974 -12.165 364 HD2 LYS 46 2HD LYS 46 -8.102 -2.164 -14.254 365 HD3 LYS 46 3HD LYS 46 -8.648 -0.645 -14.970 366 HE2 LYS 46 2HE LYS 46 -6.300 0.231 -14.700 367 HE3 LYS 46 3HE LYS 46 -5.813 -1.384 -14.175 368 HZ1 LYS 46 3HZ LYS 46 -5.366 -1.119 -16.507 369 HZ2 LYS 46 1HZ LYS 46 -6.962 -0.657 -16.820 370 HZ3 LYS 46 2HZ LYS 46 -6.618 -2.233 -16.320 371 H SER 47 H SER 47 -10.162 -2.213 -9.649 372 HA SER 47 HA SER 47 -8.332 -1.584 -7.504 373 HB2 SER 47 2HB SER 47 -9.732 -4.232 -8.108 374 HB3 SER 47 3HB SER 47 -9.070 -3.705 -6.556 375 HG SER 47 HG SER 47 -11.170 -2.361 -7.930 376 H ILE 48 H ILE 48 -6.316 -1.362 -8.506 377 HA ILE 48 HA ILE 48 -5.213 -3.346 -10.297 378 HB ILE 48 HB ILE 48 -3.756 -1.046 -8.918 379 HG12 ILE 48 2HG1 ILE 48 -5.083 -1.003 -11.671 380 HG13 ILE 48 3HG1 ILE 48 -5.766 -0.271 -10.224 381 HG21 ILE 48 1HG2 ILE 48 -3.027 -2.584 -11.433 382 HG22 ILE 48 2HG2 ILE 48 -2.217 -2.697 -9.869 383 HG23 ILE 48 3HG2 ILE 48 -2.148 -1.193 -10.787 384 HD11 ILE 48 3HD1 ILE 48 -3.883 1.284 -10.105 385 HD12 ILE 48 1HD1 ILE 48 -4.717 1.390 -11.652 386 HD13 ILE 48 2HD1 ILE 48 -3.169 0.551 -11.544 387 H VAL 49 H VAL 49 -4.832 -5.305 -9.367 388 HA VAL 49 HA VAL 49 -3.873 -5.544 -6.610 389 HB VAL 49 HB VAL 49 -4.740 -7.739 -8.541 390 HG11 VAL 49 1HG1 VAL 49 -4.947 -9.168 -6.522 391 HG12 VAL 49 2HG1 VAL 49 -4.315 -7.852 -5.527 392 HG13 VAL 49 3HG1 VAL 49 -3.288 -8.606 -6.748 393 HG21 VAL 49 3HG2 VAL 49 -6.900 -7.749 -7.323 394 HG22 VAL 49 1HG2 VAL 49 -6.604 -6.188 -8.096 395 HG23 VAL 49 2HG2 VAL 49 -6.363 -6.371 -6.356 396 H ILE 50 H ILE 50 -1.726 -5.432 -6.374 397 HA ILE 50 HA ILE 50 0.120 -6.669 -8.348 398 HB ILE 50 HB ILE 50 0.547 -4.225 -6.554 399 HG12 ILE 50 2HG1 ILE 50 0.375 -4.371 -9.598 400 HG13 ILE 50 3HG1 ILE 50 -0.901 -3.789 -8.536 401 HG21 ILE 50 1HG2 ILE 50 2.758 -3.972 -7.654 402 HG22 ILE 50 2HG2 ILE 50 2.510 -5.511 -8.482 403 HG23 ILE 50 3HG2 ILE 50 2.638 -5.465 -6.723 404 HD11 ILE 50 3HD1 ILE 50 0.260 -1.946 -9.557 405 HD12 ILE 50 1HD1 ILE 50 1.809 -2.505 -8.919 406 HD13 ILE 50 2HD1 ILE 50 0.544 -1.943 -7.819 407 H LYS 51 H LYS 51 0.821 -8.555 -7.433 408 HA LYS 51 HA LYS 51 1.148 -8.808 -4.527 409 HB2 LYS 51 2HB LYS 51 1.590 -10.853 -6.742 410 HB3 LYS 51 3HB LYS 51 1.660 -11.192 -5.012 411 HG2 LYS 51 2HG LYS 51 -0.721 -10.691 -4.784 412 HG3 LYS 51 3HG LYS 51 -0.819 -10.229 -6.490 413 HD2 LYS 51 2HD LYS 51 -0.222 -12.567 -7.131 414 HD3 LYS 51 3HD LYS 51 -0.166 -13.019 -5.424 415 HE2 LYS 51 2HE LYS 51 -2.546 -12.588 -5.191 416 HE3 LYS 51 3HE LYS 51 -2.631 -11.937 -6.828 417 HZ1 LYS 51 3HZ LYS 51 -3.453 -14.175 -6.804 418 HZ2 LYS 51 1HZ LYS 51 -2.035 -14.747 -6.082 419 HZ3 LYS 51 2HZ LYS 51 -1.997 -14.140 -7.654 420 H ASN 52 H ASN 52 3.187 -9.566 -3.615 421 HA ASN 52 HA ASN 52 5.479 -8.165 -4.491 422 HB2 ASN 52 2HB ASN 52 6.681 -9.347 -2.698 423 HB3 ASN 52 3HB ASN 52 5.129 -8.757 -2.130 424 HD21 ASN 52 1HD2 ASN 52 3.488 -10.228 -1.650 425 HD22 ASN 52 2HD2 ASN 52 3.783 -11.919 -1.459 426 H THR 53 H THR 53 4.195 -11.233 -5.375 427 HA THR 53 HA THR 53 6.593 -12.398 -6.467 428 HB THR 53 HB THR 53 4.873 -14.042 -7.470 429 HG1 THR 53 HG1 THR 53 2.800 -13.651 -7.177 430 HG21 THR 53 3HG2 THR 53 6.018 -14.529 -5.320 431 HG22 THR 53 1HG2 THR 53 4.354 -15.126 -5.319 432 HG23 THR 53 2HG2 THR 53 4.760 -13.643 -4.454 433 H ASP 54 H ASP 54 3.946 -10.377 -7.609 434 HA ASP 54 HA ASP 54 4.501 -10.647 -10.443 435 HB2 ASP 54 2HB ASP 54 2.708 -8.747 -8.870 436 HB3 ASP 54 3HB ASP 54 2.906 -8.622 -10.613 437 H GLU 55 H GLU 55 6.816 -10.210 -10.214 438 HA GLU 55 HA GLU 55 8.007 -7.919 -9.218 439 HB2 GLU 55 2HB GLU 55 9.210 -10.014 -9.889 440 HB3 GLU 55 3HB GLU 55 8.970 -9.579 -11.582 441 HG2 GLU 55 2HG GLU 55 10.251 -7.411 -11.068 442 HG3 GLU 55 3HG GLU 55 10.669 -8.135 -9.518 443 H ASN 56 H ASN 56 6.767 -8.547 -12.502 444 HA ASN 56 HA ASN 56 7.773 -6.339 -13.885 445 HB2 ASN 56 2HB ASN 56 6.643 -8.355 -14.900 446 HB3 ASN 56 3HB ASN 56 5.094 -7.721 -14.366 447 HD21 ASN 56 1HD2 ASN 56 5.992 -8.348 -17.076 448 HD22 ASN 56 2HD2 ASN 56 5.840 -6.898 -17.993 449 H LEU 57 H LEU 57 4.711 -6.709 -12.132 450 HA LEU 57 HA LEU 57 3.593 -4.183 -12.727 451 HB2 LEU 57 2HB LEU 57 3.057 -6.057 -10.393 452 HB3 LEU 57 3HB LEU 57 2.064 -4.662 -10.793 453 HG LEU 57 HG LEU 57 2.418 -7.186 -12.457 454 HD11 LEU 57 1HD1 LEU 57 0.030 -7.537 -12.042 455 HD12 LEU 57 2HD1 LEU 57 -0.016 -6.094 -11.023 456 HD13 LEU 57 3HD1 LEU 57 0.952 -7.490 -10.541 457 HD21 LEU 57 3HD2 LEU 57 0.860 -4.673 -13.145 458 HD22 LEU 57 1HD2 LEU 57 0.766 -6.210 -14.019 459 HD23 LEU 57 2HD2 LEU 57 2.278 -5.312 -13.985 460 H ILE 58 H ILE 58 5.784 -5.284 -10.211 461 HA ILE 58 HA ILE 58 5.548 -2.969 -8.502 462 HB ILE 58 HB ILE 58 7.757 -5.073 -8.570 463 HG12 ILE 58 2HG1 ILE 58 5.282 -5.049 -6.782 464 HG13 ILE 58 3HG1 ILE 58 5.419 -6.007 -8.250 465 HG21 ILE 58 1HG2 ILE 58 8.407 -3.047 -7.330 466 HG22 ILE 58 2HG2 ILE 58 8.194 -4.410 -6.227 467 HG23 ILE 58 3HG2 ILE 58 6.946 -3.165 -6.344 468 HD11 ILE 58 3HD1 ILE 58 5.822 -7.347 -6.281 469 HD12 ILE 58 1HD1 ILE 58 7.151 -6.297 -5.793 470 HD13 ILE 58 2HD1 ILE 58 7.275 -7.258 -7.272 471 H ASN 59 H ASN 59 7.912 -4.120 -10.919 472 HA ASN 59 HA ASN 59 9.945 -2.240 -10.682 473 HB2 ASN 59 2HB ASN 59 9.001 -3.636 -13.225 474 HB3 ASN 59 3HB ASN 59 10.549 -2.812 -13.050 475 HD21 ASN 59 1HD2 ASN 59 10.083 -5.566 -13.765 476 HD22 ASN 59 2HD2 ASN 59 10.869 -6.536 -12.569 477 H HIS 60 H HIS 60 6.872 -1.973 -12.301 478 HA HIS 60 HA HIS 60 7.432 0.653 -13.456 479 HB2 HIS 60 2HB HIS 60 4.991 -1.146 -13.524 480 HB3 HIS 60 3HB HIS 60 4.995 0.473 -14.217 481 HD1 HIS 60 HD1 HIS 60 5.999 -3.014 -14.948 482 HD2 HIS 60 HD2 HIS 60 6.778 0.772 -16.480 483 HE1 HIS 60 HE1 HIS 60 7.031 -3.388 -17.205 484 HE2 HIS 60 HE2 HIS 60 7.530 -1.091 -18.088 485 H SER 61 H SER 61 5.435 -0.770 -10.864 486 HA SER 61 HA SER 61 4.277 1.771 -10.123 487 HB2 SER 61 2HB SER 61 4.093 -0.942 -8.756 488 HB3 SER 61 3HB SER 61 3.137 0.483 -8.333 489 HG SER 61 HG SER 61 3.033 -1.101 -10.665 490 H LYS 62 H LYS 62 5.767 3.170 -9.412 491 HA LYS 62 HA LYS 62 8.037 2.970 -7.954 492 HB2 LYS 62 2HB LYS 62 7.380 5.006 -8.998 493 HB3 LYS 62 3HB LYS 62 5.860 5.066 -8.115 494 HG2 LYS 62 2HG LYS 62 7.119 5.593 -6.028 495 HG3 LYS 62 3HG LYS 62 8.627 5.584 -6.953 496 HD2 LYS 62 2HD LYS 62 7.677 7.890 -6.566 497 HD3 LYS 62 3HD LYS 62 7.911 7.500 -8.269 498 HE2 LYS 62 2HE LYS 62 5.507 7.030 -8.507 499 HE3 LYS 62 3HE LYS 62 5.266 7.314 -6.788 500 HZ1 LYS 62 3HZ LYS 62 4.587 9.220 -8.014 501 HZ2 LYS 62 1HZ LYS 62 6.073 9.312 -8.813 502 HZ3 LYS 62 2HZ LYS 62 5.988 9.622 -7.156 503 H LEU 63 H LEU 63 4.797 3.567 -6.512 504 HA LEU 63 HA LEU 63 5.648 3.576 -3.817 505 HB2 LEU 63 2HB LEU 63 3.545 4.616 -4.557 506 HB3 LEU 63 3HB LEU 63 2.884 3.040 -4.944 507 HG LEU 63 HG LEU 63 2.813 2.419 -2.572 508 HD11 LEU 63 1HD1 LEU 63 4.799 3.546 -1.754 509 HD12 LEU 63 2HD1 LEU 63 3.404 3.970 -0.770 510 HD13 LEU 63 3HD1 LEU 63 4.028 5.122 -1.952 511 HD21 LEU 63 3HD2 LEU 63 1.094 3.961 -1.783 512 HD22 LEU 63 1HD2 LEU 63 0.879 3.610 -3.494 513 HD23 LEU 63 2HD2 LEU 63 1.572 5.157 -2.994 514 H ALA 64 H ALA 64 4.544 0.910 -5.907 515 HA ALA 64 HA ALA 64 4.207 -1.074 -3.917 516 HB1 ALA 64 3HB ALA 64 3.363 -1.358 -6.206 517 HB2 ALA 64 1HB ALA 64 4.408 -2.708 -5.743 518 HB3 ALA 64 2HB ALA 64 5.015 -1.445 -6.821 519 H GLN 65 H GLN 65 7.014 -0.041 -5.816 520 HA GLN 65 HA GLN 65 8.950 -1.873 -4.980 521 HB2 GLN 65 2HB GLN 65 9.315 1.084 -5.646 522 HB3 GLN 65 3HB GLN 65 10.621 -0.099 -5.567 523 HG2 GLN 65 2HG GLN 65 9.791 -1.268 -7.480 524 HG3 GLN 65 3HG GLN 65 8.281 -0.363 -7.465 525 HE21 GLN 65 1HE2 GLN 65 8.494 0.343 -9.571 526 HE22 GLN 65 2HE2 GLN 65 9.688 1.482 -10.074 527 H GLN 66 H GLN 66 8.093 1.304 -3.574 528 HA GLN 66 HA GLN 66 9.850 1.323 -1.410 529 HB2 GLN 66 2HB GLN 66 7.154 2.681 -1.787 530 HB3 GLN 66 3HB GLN 66 8.260 3.061 -0.470 531 HG2 GLN 66 2HG GLN 66 8.915 3.387 -3.425 532 HG3 GLN 66 3HG GLN 66 8.370 4.682 -2.355 533 HE21 GLN 66 1HE2 GLN 66 11.016 2.485 -3.078 534 HE22 GLN 66 2HE2 GLN 66 12.223 3.344 -2.192 535 H ILE 67 H ILE 67 6.419 0.213 -1.482 536 HA ILE 67 HA ILE 67 6.163 -0.259 1.291 537 HB ILE 67 HB ILE 67 4.559 -1.379 -1.048 538 HG12 ILE 67 2HG1 ILE 67 3.914 0.895 0.891 539 HG13 ILE 67 3HG1 ILE 67 4.440 1.093 -0.775 540 HG21 ILE 67 1HG2 ILE 67 2.784 -1.997 0.561 541 HG22 ILE 67 2HG2 ILE 67 3.835 -1.537 1.904 542 HG23 ILE 67 3HG2 ILE 67 4.265 -2.899 0.863 543 HD11 ILE 67 3HD1 ILE 67 2.058 1.456 -0.564 544 HD12 ILE 67 1HD1 ILE 67 1.835 -0.155 0.117 545 HD13 ILE 67 2HD1 ILE 67 2.370 0.032 -1.556 546 H PHE 68 H PHE 68 6.770 -2.544 -1.411 547 HA PHE 68 HA PHE 68 6.974 -4.869 0.211 548 HB2 PHE 68 2HB PHE 68 7.917 -4.340 -2.638 549 HB3 PHE 68 3HB PHE 68 7.997 -5.922 -1.868 550 HD1 PHE 68 HD1 PHE 68 5.456 -6.261 -0.527 551 HD2 PHE 68 HD2 PHE 68 6.230 -4.391 -4.300 552 HE1 PHE 68 HE1 PHE 68 3.174 -6.783 -1.269 553 HE2 PHE 68 HE2 PHE 68 3.940 -4.914 -5.021 554 HZ PHE 68 HZ PHE 68 2.412 -6.110 -3.509 555 H LEU 69 H LEU 69 9.379 -2.492 -0.926 556 HA LEU 69 HA LEU 69 11.765 -3.797 -0.244 557 HB2 LEU 69 2HB LEU 69 11.709 -1.718 -1.550 558 HB3 LEU 69 3HB LEU 69 11.052 -0.846 -0.180 559 HG LEU 69 HG LEU 69 13.223 -1.245 1.057 560 HD11 LEU 69 1HD1 LEU 69 14.221 -2.296 -1.599 561 HD12 LEU 69 2HD1 LEU 69 14.010 -3.222 -0.111 562 HD13 LEU 69 3HD1 LEU 69 15.213 -1.938 -0.182 563 HD21 LEU 69 3HD2 LEU 69 13.482 0.270 -1.557 564 HD22 LEU 69 1HD2 LEU 69 14.499 0.473 -0.125 565 HD23 LEU 69 2HD2 LEU 69 12.789 0.890 -0.055 566 H GLN 70 H GLN 70 9.766 -1.534 1.637 567 HA GLN 70 HA GLN 70 11.421 -1.714 3.986 568 HB2 GLN 70 2HB GLN 70 8.832 -0.271 3.366 569 HB3 GLN 70 3HB GLN 70 9.528 -0.256 4.987 570 HG2 GLN 70 2HG GLN 70 11.616 0.725 4.035 571 HG3 GLN 70 3HG GLN 70 10.835 0.807 2.455 572 HE21 GLN 70 1HE2 GLN 70 11.232 3.085 2.547 573 HE22 GLN 70 2HE2 GLN 70 10.199 4.125 3.459 574 H CYS 71 H CYS 71 8.571 -3.409 2.861 575 HA CYS 71 HA CYS 71 8.528 -4.992 5.322 576 HB2 CYS 71 2HB CYS 71 6.071 -3.595 4.183 577 HB3 CYS 71 3HB CYS 71 6.042 -4.814 5.456 578 HG CYS 71 HG CYS 71 7.572 -1.758 5.722 579 HA PRO 72 HA PRO 72 8.176 -7.733 1.615 580 HB2 PRO 72 2HB PRO 72 9.715 -9.777 2.533 581 HB3 PRO 72 3HB PRO 72 10.440 -8.260 1.952 582 HG2 PRO 72 2HG PRO 72 9.938 -9.138 4.787 583 HG3 PRO 72 3HG PRO 72 11.377 -8.360 4.089 584 HD2 PRO 72 2HD PRO 72 9.423 -6.976 5.470 585 HD3 PRO 72 3HD PRO 72 10.464 -6.235 4.237 586 H GLY 73 H GLY 73 6.847 -7.834 4.686 587 HA2 GLY 73 2HA GLY 73 5.628 -10.483 4.580 588 HA3 GLY 73 3HA GLY 73 5.366 -9.241 5.795 589 H VAL 74 H VAL 74 5.022 -7.634 2.969 590 HA VAL 74 HA VAL 74 2.121 -7.704 3.001 591 HB VAL 74 HB VAL 74 4.018 -6.161 1.169 592 HG11 VAL 74 1HG1 VAL 74 2.077 -4.710 0.667 593 HG12 VAL 74 2HG1 VAL 74 1.042 -5.754 1.643 594 HG13 VAL 74 3HG1 VAL 74 1.781 -6.376 0.165 595 HG21 VAL 74 3HG2 VAL 74 3.576 -4.199 2.610 596 HG22 VAL 74 1HG2 VAL 74 4.336 -5.502 3.528 597 HG23 VAL 74 2HG2 VAL 74 2.602 -5.201 3.689 598 H GLU 75 H GLU 75 0.909 -8.990 1.740 599 HA GLU 75 HA GLU 75 2.062 -10.879 -0.106 600 HB2 GLU 75 2HB GLU 75 -0.852 -10.358 0.645 601 HB3 GLU 75 3HB GLU 75 -0.263 -11.752 -0.264 602 HG2 GLU 75 2HG GLU 75 0.344 -11.075 2.632 603 HG3 GLU 75 3HG GLU 75 -0.712 -12.364 2.053 604 H SER 76 H SER 76 -0.395 -8.286 -0.320 605 HA SER 76 HA SER 76 0.257 -7.743 -3.100 606 HB2 SER 76 2HB SER 76 -2.168 -8.049 -3.832 607 HB3 SER 76 3HB SER 76 -1.307 -9.543 -3.479 608 HG SER 76 HG SER 76 -2.698 -9.951 -1.976 609 H LEU 77 H LEU 77 -0.972 -5.933 -3.966 610 HA LEU 77 HA LEU 77 -1.859 -3.966 -1.940 611 HB2 LEU 77 2HB LEU 77 -0.390 -3.413 -4.560 612 HB3 LEU 77 3HB LEU 77 -0.912 -2.202 -3.393 613 HG LEU 77 HG LEU 77 1.282 -4.277 -2.986 614 HD11 LEU 77 1HD1 LEU 77 1.470 -1.272 -3.306 615 HD12 LEU 77 2HD1 LEU 77 1.940 -2.491 -4.494 616 HD13 LEU 77 3HD1 LEU 77 2.809 -2.380 -2.968 617 HD21 LEU 77 3HD2 LEU 77 0.165 -3.856 -0.859 618 HD22 LEU 77 1HD2 LEU 77 0.357 -2.112 -1.074 619 HD23 LEU 77 2HD2 LEU 77 1.775 -3.145 -0.873 620 H MET 78 H MET 78 -3.930 -3.327 -2.308 621 HA MET 78 HA MET 78 -5.100 -3.555 -5.013 622 HB2 MET 78 2HB MET 78 -6.458 -4.626 -3.274 623 HB3 MET 78 3HB MET 78 -6.411 -3.174 -2.289 624 HG2 MET 78 2HG MET 78 -7.773 -1.978 -3.932 625 HG3 MET 78 3HG MET 78 -7.759 -3.390 -4.992 626 HE1 MET 78 3HE MET 78 -10.016 -5.924 -3.083 627 HE2 MET 78 1HE MET 78 -8.258 -5.871 -3.184 628 HE3 MET 78 2HE MET 78 -9.234 -5.550 -4.619 629 H ILE 79 H ILE 79 -4.411 -1.772 -6.071 630 HA ILE 79 HA ILE 79 -4.049 0.792 -4.750 631 HB ILE 79 HB ILE 79 -3.892 0.205 -7.738 632 HG12 ILE 79 2HG1 ILE 79 -2.277 -1.287 -6.604 633 HG13 ILE 79 3HG1 ILE 79 -1.445 -0.056 -7.536 634 HG21 ILE 79 1HG2 ILE 79 -2.705 2.480 -6.122 635 HG22 ILE 79 2HG2 ILE 79 -4.094 2.580 -7.204 636 HG23 ILE 79 3HG2 ILE 79 -2.496 2.228 -7.860 637 HD11 ILE 79 3HD1 ILE 79 -1.005 1.168 -5.434 638 HD12 ILE 79 1HD1 ILE 79 -0.309 -0.450 -5.485 639 HD13 ILE 79 2HD1 ILE 79 -1.772 -0.157 -4.551 640 H GLY 80 H GLY 80 -5.695 2.222 -4.565 641 HA2 GLY 80 2HA GLY 80 -7.966 2.150 -6.460 642 HA3 GLY 80 3HA GLY 80 -8.005 2.806 -4.826 643 H ASP 81 H ASP 81 -8.974 4.537 -6.338 644 HA ASP 81 HA ASP 81 -7.043 6.262 -7.622 645 HB2 ASP 81 2HB ASP 81 -9.027 7.837 -7.912 646 HB3 ASP 81 3HB ASP 81 -9.140 6.273 -8.693 647 H ASP 82 H ASP 82 -9.227 6.702 -4.781 648 HA ASP 82 HA ASP 82 -7.258 8.651 -3.674 649 HB2 ASP 82 2HB ASP 82 -9.077 9.782 -2.575 650 HB3 ASP 82 3HB ASP 82 -9.546 9.562 -4.249 651 H PHE 83 H PHE 83 -7.494 5.598 -3.409 652 HA PHE 83 HA PHE 83 -7.102 5.485 -0.517 653 HB2 PHE 83 2HB PHE 83 -8.692 3.675 -0.125 654 HB3 PHE 83 3HB PHE 83 -9.541 5.066 -0.782 655 HD1 PHE 83 HD2 PHE 83 -10.148 5.031 -3.303 656 HD2 PHE 83 HD1 PHE 83 -8.896 1.530 -1.160 657 HE1 PHE 83 HE2 PHE 83 -11.127 3.598 -5.045 658 HE2 PHE 83 HE1 PHE 83 -9.883 0.115 -2.911 659 HZ PHE 83 HZ PHE 83 -10.995 1.143 -4.854 660 H LEU 84 H LEU 84 -6.230 3.395 0.185 661 HA LEU 84 HA LEU 84 -5.018 1.689 -1.880 662 HB2 LEU 84 2HB LEU 84 -3.377 3.479 -1.388 663 HB3 LEU 84 3HB LEU 84 -3.481 3.127 0.328 664 HG LEU 84 HG LEU 84 -2.457 0.898 -0.055 665 HD11 LEU 84 1HD1 LEU 84 -2.222 1.723 -2.956 666 HD12 LEU 84 2HD1 LEU 84 -3.248 0.441 -2.305 667 HD13 LEU 84 3HD1 LEU 84 -1.495 0.291 -2.215 668 HD21 LEU 84 3HD2 LEU 84 -0.830 3.172 -1.221 669 HD22 LEU 84 1HD2 LEU 84 -0.190 1.662 -0.559 670 HD23 LEU 84 2HD2 LEU 84 -1.028 2.799 0.494 671 H THR 85 H THR 85 -5.839 -0.251 -1.298 672 HA THR 85 HA THR 85 -6.228 -0.910 1.555 673 HB THR 85 HB THR 85 -7.283 -2.397 -0.895 674 HG1 THR 85 HG1 THR 85 -8.056 -0.106 -0.280 675 HG21 THR 85 3HG2 THR 85 -7.164 -3.822 1.130 676 HG22 THR 85 1HG2 THR 85 -8.843 -3.464 0.708 677 HG23 THR 85 2HG2 THR 85 -8.064 -2.606 2.039 678 H ILE 86 H ILE 86 -4.432 -1.792 2.383 679 HA ILE 86 HA ILE 86 -2.472 -3.222 0.749 680 HB ILE 86 HB ILE 86 -2.406 -2.512 3.718 681 HG12 ILE 86 2HG1 ILE 86 -2.496 -0.503 2.184 682 HG13 ILE 86 3HG1 ILE 86 -1.052 -0.586 3.178 683 HG21 ILE 86 1HG2 ILE 86 -0.124 -3.433 1.927 684 HG22 ILE 86 2HG2 ILE 86 -0.869 -4.368 3.223 685 HG23 ILE 86 3HG2 ILE 86 0.041 -2.906 3.607 686 HD11 ILE 86 3HD1 ILE 86 -0.508 0.147 0.984 687 HD12 ILE 86 1HD1 ILE 86 -1.263 -1.270 0.259 688 HD13 ILE 86 2HD1 ILE 86 0.199 -1.443 1.241 689 H ASN 87 H ASN 87 -2.011 -5.385 0.936 690 HA ASN 87 HA ASN 87 -3.569 -7.046 2.835 691 HB2 ASN 87 2HB ASN 87 -2.607 -7.852 0.047 692 HB3 ASN 87 3HB ASN 87 -3.545 -8.852 1.159 693 HD21 ASN 87 1HD2 ASN 87 -3.617 -6.094 -0.987 694 HD22 ASN 87 2HD2 ASN 87 -5.333 -5.998 -1.138 695 H LYS 88 H LYS 88 -2.311 -7.992 4.294 696 HA LYS 88 HA LYS 88 0.500 -8.674 3.636 697 HB2 LYS 88 2HB LYS 88 1.074 -8.204 6.045 698 HB3 LYS 88 3HB LYS 88 0.619 -6.787 5.120 699 HG2 LYS 88 2HG LYS 88 -0.407 -6.454 7.207 700 HG3 LYS 88 3HG LYS 88 -1.720 -7.023 6.176 701 HD2 LYS 88 2HD LYS 88 -1.330 -9.346 7.142 702 HD3 LYS 88 3HD LYS 88 -0.195 -8.620 8.275 703 HE2 LYS 88 2HE LYS 88 -1.978 -7.323 9.281 704 HE3 LYS 88 3HE LYS 88 -3.124 -7.876 8.054 705 HZ1 LYS 88 3HZ LYS 88 -3.380 -9.106 10.096 706 HZ2 LYS 88 1HZ LYS 88 -1.762 -9.587 10.058 707 HZ3 LYS 88 2HZ LYS 88 -2.838 -10.132 8.875 708 H ASP 89 H ASP 89 1.384 -10.425 5.021 709 HA ASP 89 HA ASP 89 -0.257 -12.738 5.081 710 HB2 ASP 89 2HB ASP 89 2.315 -12.608 4.810 711 HB3 ASP 89 3HB ASP 89 2.400 -12.389 6.553 712 H ARG 90 H ARG 90 -1.164 -13.836 6.902 713 HA ARG 90 HA ARG 90 -2.271 -12.052 8.825 714 HB2 ARG 90 2HB ARG 90 -3.703 -13.806 9.438 715 HB3 ARG 90 3HB ARG 90 -3.384 -14.067 7.730 716 HG2 ARG 90 2HG ARG 90 -1.718 -15.837 8.370 717 HG3 ARG 90 3HG ARG 90 -2.181 -15.595 10.058 718 HD2 ARG 90 2HD ARG 90 -3.883 -16.677 7.795 719 HD3 ARG 90 3HD ARG 90 -3.411 -17.493 9.289 720 HE ARG 90 HE ARG 90 -5.116 -15.099 9.445 721 HH11 ARG 90 1HH1 ARG 90 -4.841 -18.576 9.916 722 HH12 ARG 90 2HH1 ARG 90 -6.331 -18.683 10.790 723 HH21 ARG 90 1HH2 ARG 90 -7.068 -15.255 10.529 724 HH22 ARG 90 2HH2 ARG 90 -7.604 -16.787 11.144 725 H MET 91 H MET 91 0.658 -13.823 8.894 726 HA MET 91 HA MET 91 0.880 -14.123 11.765 727 HB2 MET 91 2HB MET 91 3.139 -14.886 11.391 728 HB3 MET 91 3HB MET 91 2.154 -15.568 10.107 729 HG2 MET 91 2HG MET 91 3.006 -13.903 8.533 730 HG3 MET 91 3HG MET 91 3.940 -13.134 9.813 731 HE1 MET 91 3HE MET 91 4.880 -17.303 8.033 732 HE2 MET 91 1HE MET 91 3.599 -16.250 7.433 733 HE3 MET 91 2HE MET 91 3.437 -17.029 9.009 734 H VAL 92 H VAL 92 1.150 -11.505 9.628 735 HA VAL 92 HA VAL 92 3.090 -9.959 11.193 736 HB VAL 92 HB VAL 92 1.632 -9.152 8.633 737 HG11 VAL 92 1HG1 VAL 92 3.459 -7.497 8.367 738 HG12 VAL 92 2HG1 VAL 92 4.127 -7.996 9.922 739 HG13 VAL 92 3HG1 VAL 92 2.539 -7.228 9.850 740 HG21 VAL 92 3HG2 VAL 92 4.389 -10.409 8.874 741 HG22 VAL 92 1HG2 VAL 92 3.670 -9.786 7.384 742 HG23 VAL 92 2HG2 VAL 92 2.955 -11.185 8.194 743 H HIS 93 H HIS 93 2.549 -8.152 12.338 744 HA HIS 93 HA HIS 93 -0.278 -7.565 12.882 745 HB2 HIS 93 2HB HIS 93 1.487 -7.975 14.724 746 HB3 HIS 93 3HB HIS 93 2.176 -6.425 14.295 747 HD1 HIS 93 HD1 HIS 93 0.131 -7.804 16.767 748 HD2 HIS 93 HD2 HIS 93 -0.115 -4.330 14.508 749 HE1 HIS 93 HE1 HIS 93 -1.381 -6.264 18.043 750 HE2 HIS 93 HE2 HIS 93 -1.658 -4.262 16.564 751 H TRP 94 H TRP 94 -1.221 -5.575 12.342 752 HA TRP 94 HA TRP 94 -0.271 -4.235 10.082 753 HB2 TRP 94 2HB TRP 94 -2.517 -3.695 12.014 754 HB3 TRP 94 3HB TRP 94 -2.122 -2.466 10.818 755 HD1 TRP 94 HD1 TRP 94 -4.373 -5.324 11.186 756 HE1 TRP 94 HE1 TRP 94 -5.205 -6.130 8.894 757 HE3 TRP 94 HE3 TRP 94 -1.020 -2.887 8.178 758 HZ2 TRP 94 HZ2 TRP 94 -4.518 -5.819 6.178 759 HZ3 TRP 94 HZ3 TRP 94 -1.182 -3.192 5.743 760 HH2 TRP 94 HH2 TRP 94 -2.898 -4.629 4.765 761 H ASN 95 H ASN 95 -0.102 -3.201 13.496 762 HA ASN 95 HA ASN 95 0.581 -0.530 13.095 763 HB2 ASN 95 2HB ASN 95 -0.207 -1.455 15.253 764 HB3 ASN 95 3HB ASN 95 1.324 -2.288 15.464 765 HD21 ASN 95 1HD2 ASN 95 3.153 -1.089 16.115 766 HD22 ASN 95 2HD2 ASN 95 3.042 0.547 16.662 767 H SER 96 H SER 96 2.576 -3.319 12.619 768 HA SER 96 HA SER 96 5.155 -2.104 12.866 769 HB2 SER 96 2HB SER 96 4.327 -4.487 11.148 770 HB3 SER 96 3HB SER 96 5.970 -4.088 11.659 771 HG SER 96 HG SER 96 4.433 -5.670 12.875 772 H ILE 97 H ILE 97 3.033 -2.791 10.080 773 HA ILE 97 HA ILE 97 4.859 -1.579 8.155 774 HB ILE 97 HB ILE 97 2.078 -2.724 7.586 775 HG12 ILE 97 2HG1 ILE 97 4.729 -4.256 7.641 776 HG13 ILE 97 3HG1 ILE 97 3.379 -4.483 8.747 777 HG21 ILE 97 1HG2 ILE 97 4.497 -2.447 5.764 778 HG22 ILE 97 2HG2 ILE 97 3.101 -1.381 5.769 779 HG23 ILE 97 3HG2 ILE 97 2.906 -3.066 5.299 780 HD11 ILE 97 3HD1 ILE 97 3.483 -6.249 7.073 781 HD12 ILE 97 1HD1 ILE 97 3.331 -5.067 5.779 782 HD13 ILE 97 2HD1 ILE 97 1.998 -5.317 6.909 783 H LYS 98 H LYS 98 1.864 -0.762 9.799 784 HA LYS 98 HA LYS 98 0.556 0.913 8.069 785 HB2 LYS 98 2HB LYS 98 -0.567 0.097 10.019 786 HB3 LYS 98 3HB LYS 98 0.599 0.851 11.091 787 HG2 LYS 98 2HG LYS 98 -0.288 3.111 10.218 788 HG3 LYS 98 3HG LYS 98 -1.614 2.190 9.506 789 HD2 LYS 98 2HD LYS 98 -2.273 3.117 11.692 790 HD3 LYS 98 3HD LYS 98 -2.235 1.352 11.761 791 HE2 LYS 98 2HE LYS 98 0.032 1.491 12.826 792 HE3 LYS 98 3HE LYS 98 -0.106 3.253 12.808 793 HZ1 LYS 98 3HZ LYS 98 -1.893 1.376 14.258 794 HZ2 LYS 98 1HZ LYS 98 -2.071 3.054 14.222 795 HZ3 LYS 98 2HZ LYS 98 -0.715 2.361 14.959 796 HA PRO 99 HA PRO 99 2.562 4.940 9.919 797 HB2 PRO 99 2HB PRO 99 4.934 4.814 11.303 798 HB3 PRO 99 3HB PRO 99 3.356 4.633 12.100 799 HG2 PRO 99 2HG PRO 99 5.269 2.493 11.198 800 HG3 PRO 99 3HG PRO 99 4.397 2.641 12.744 801 HD2 PRO 99 2HD PRO 99 3.508 1.017 10.772 802 HD3 PRO 99 3HD PRO 99 2.386 1.873 11.847 803 H GLU 100 H GLU 100 4.702 2.385 8.788 804 HA GLU 100 HA GLU 100 6.583 3.967 7.361 805 HB2 GLU 100 2HB GLU 100 5.779 1.107 6.693 806 HB3 GLU 100 3HB GLU 100 7.325 1.890 6.361 807 HG2 GLU 100 2HG GLU 100 6.227 0.995 9.053 808 HG3 GLU 100 3HG GLU 100 7.613 0.338 8.186 809 H ILE 101 H ILE 101 3.557 2.315 6.460 810 HA ILE 101 HA ILE 101 3.447 2.921 3.718 811 HB ILE 101 HB ILE 101 1.185 2.491 5.724 812 HG12 ILE 101 2HG1 ILE 101 2.248 0.531 3.643 813 HG13 ILE 101 3HG1 ILE 101 2.787 0.556 5.317 814 HG21 ILE 101 1HG2 ILE 101 -0.321 2.051 3.799 815 HG22 ILE 101 2HG2 ILE 101 0.965 2.534 2.689 816 HG23 ILE 101 3HG2 ILE 101 0.267 3.713 3.803 817 HD11 ILE 101 3HD1 ILE 101 1.100 -1.180 4.815 818 HD12 ILE 101 1HD1 ILE 101 -0.074 0.086 4.470 819 HD13 ILE 101 2HD1 ILE 101 0.603 -0.073 6.092 820 H ILE 102 H ILE 102 2.060 4.634 6.545 821 HA ILE 102 HA ILE 102 0.770 6.724 5.210 822 HB ILE 102 HB ILE 102 1.985 6.687 8.010 823 HG12 ILE 102 2HG1 ILE 102 -0.878 6.175 7.071 824 HG13 ILE 102 3HG1 ILE 102 0.258 4.949 7.615 825 HG21 ILE 102 1HG2 ILE 102 1.651 9.020 7.309 826 HG22 ILE 102 2HG2 ILE 102 0.497 8.581 8.566 827 HG23 ILE 102 3HG2 ILE 102 -0.027 8.670 6.884 828 HD11 ILE 102 3HD1 ILE 102 0.243 5.942 9.860 829 HD12 ILE 102 1HD1 ILE 102 -1.362 5.438 9.334 830 HD13 ILE 102 2HD1 ILE 102 -0.928 7.147 9.315 831 H ASP 103 H ASP 103 4.130 6.463 6.370 832 HA ASP 103 HA ASP 103 4.942 9.116 5.778 833 HB2 ASP 103 2HB ASP 103 6.212 7.581 7.304 834 HB3 ASP 103 3HB ASP 103 6.691 6.616 5.910 835 H LEU 104 H LEU 104 5.239 6.068 3.938 836 HA LEU 104 HA LEU 104 6.573 7.069 1.656 837 HB2 LEU 104 2HB LEU 104 4.781 4.642 2.052 838 HB3 LEU 104 3HB LEU 104 5.675 4.932 0.564 839 HG LEU 104 HG LEU 104 6.942 4.539 3.305 840 HD11 LEU 104 1HD1 LEU 104 6.758 2.567 1.010 841 HD12 LEU 104 2HD1 LEU 104 5.901 2.468 2.550 842 HD13 LEU 104 3HD1 LEU 104 7.657 2.338 2.518 843 HD21 LEU 104 3HD2 LEU 104 9.058 4.399 2.075 844 HD22 LEU 104 1HD2 LEU 104 8.289 5.966 1.866 845 HD23 LEU 104 2HD2 LEU 104 8.223 4.770 0.566 846 H LEU 105 H LEU 105 3.165 6.843 2.455 847 HA LEU 105 HA LEU 105 2.141 7.646 -0.090 848 HB2 LEU 105 2HB LEU 105 0.971 7.190 2.638 849 HB3 LEU 105 3HB LEU 105 0.041 8.170 1.523 850 HG LEU 105 HG LEU 105 -0.115 6.327 -0.073 851 HD11 LEU 105 1HD1 LEU 105 2.053 5.278 0.274 852 HD12 LEU 105 2HD1 LEU 105 0.749 4.104 0.355 853 HD13 LEU 105 3HD1 LEU 105 1.522 4.660 1.838 854 HD21 LEU 105 3HD2 LEU 105 -1.534 4.794 1.203 855 HD22 LEU 105 1HD2 LEU 105 -1.815 6.466 1.686 856 HD23 LEU 105 2HD2 LEU 105 -0.857 5.401 2.719 857 H THR 106 H THR 106 3.413 9.362 2.684 858 HA THR 106 HA THR 106 2.319 11.932 1.962 859 HB THR 106 HB THR 106 4.592 11.193 3.854 860 HG1 THR 106 HG1 THR 106 2.203 10.531 4.197 861 HG21 THR 106 3HG2 THR 106 4.724 13.588 3.185 862 HG22 THR 106 1HG2 THR 106 4.250 13.422 4.879 863 HG23 THR 106 2HG2 THR 106 3.037 13.808 3.661 864 H LYS 107 H LYS 107 5.313 10.064 1.432 865 HA LYS 107 HA LYS 107 6.817 12.064 0.071 866 HB2 LYS 107 2HB LYS 107 6.975 9.018 -0.057 867 HB3 LYS 107 3HB LYS 107 8.186 10.104 -0.741 868 HG2 LYS 107 2HG LYS 107 7.451 9.929 2.207 869 HG3 LYS 107 3HG LYS 107 8.833 9.127 1.458 870 HD2 LYS 107 2HD LYS 107 8.798 12.043 0.909 871 HD3 LYS 107 3HD LYS 107 8.820 11.693 2.635 872 HE2 LYS 107 2HE LYS 107 11.089 11.983 1.699 873 HE3 LYS 107 3HE LYS 107 10.849 10.382 2.386 874 HZ1 LYS 107 3HZ LYS 107 10.795 11.061 -0.503 875 HZ2 LYS 107 1HZ LYS 107 10.524 9.524 0.136 876 HZ3 LYS 107 2HZ LYS 107 12.033 10.256 0.311 877 H GLN 108 H GLN 108 4.530 9.570 -1.002 878 HA GLN 108 HA GLN 108 4.733 9.849 -3.789 879 HB2 GLN 108 2HB GLN 108 2.501 8.951 -1.936 880 HB3 GLN 108 3HB GLN 108 2.232 9.022 -3.673 881 HG2 GLN 108 2HG GLN 108 4.456 7.419 -2.388 882 HG3 GLN 108 3HG GLN 108 2.863 6.764 -2.769 883 HE21 GLN 108 1HE2 GLN 108 2.500 8.163 -5.260 884 HE22 GLN 108 2HE2 GLN 108 3.572 7.435 -6.391 885 H LEU 109 H LEU 109 2.321 11.242 -1.585 886 HA LEU 109 HA LEU 109 1.066 12.687 -3.734 887 HB2 LEU 109 2HB LEU 109 0.437 12.598 -0.767 888 HB3 LEU 109 3HB LEU 109 -0.613 13.255 -2.012 889 HG LEU 109 HG LEU 109 0.205 10.323 -1.768 890 HD11 LEU 109 1HD1 LEU 109 -2.440 11.632 -1.097 891 HD12 LEU 109 2HD1 LEU 109 -1.297 10.900 0.030 892 HD13 LEU 109 3HD1 LEU 109 -2.137 9.890 -1.140 893 HD21 LEU 109 3HD2 LEU 109 -1.470 9.890 -3.515 894 HD22 LEU 109 1HD2 LEU 109 -0.167 10.917 -4.095 895 HD23 LEU 109 2HD2 LEU 109 -1.737 11.627 -3.701 896 H ALA 110 H ALA 110 3.685 13.449 -1.773 897 HA ALA 110 HA ALA 110 3.290 16.344 -1.808 898 HB1 ALA 110 3HB ALA 110 5.500 16.472 -0.737 899 HB2 ALA 110 1HB ALA 110 5.716 14.730 -0.948 900 HB3 ALA 110 2HB ALA 110 4.451 15.340 0.122 901 H TYR 111 H TYR 111 5.396 13.907 -3.396 902 HA TYR 111 HA TYR 111 6.784 15.958 -4.959 903 HB2 TYR 111 2HB TYR 111 7.203 12.943 -4.969 904 HB3 TYR 111 3HB TYR 111 8.279 14.142 -5.676 905 HD1 TYR 111 HD2 TYR 111 8.118 16.101 -3.221 906 HD2 TYR 111 HD1 TYR 111 8.864 11.905 -3.552 907 HE1 TYR 111 HE2 TYR 111 9.383 16.158 -1.120 908 HE2 TYR 111 HE1 TYR 111 10.129 11.959 -1.452 909 HH TYR 111 HH TYR 111 11.433 13.715 -0.118 910 H GLY 112 H GLY 112 4.922 12.981 -5.568 911 HA2 GLY 112 2HA GLY 112 3.820 13.959 -8.079 912 HA3 GLY 112 3HA GLY 112 4.984 12.642 -8.233 913 H GLU 113 H GLU 113 1.767 13.401 -7.680 914 HA GLU 113 HA GLU 113 1.011 11.768 -5.529 915 HB2 GLU 113 2HB GLU 113 -0.634 12.988 -7.791 916 HB3 GLU 113 3HB GLU 113 -1.355 12.167 -6.415 917 HG2 GLU 113 2HG GLU 113 -1.503 14.515 -6.006 918 HG3 GLU 113 3HG GLU 113 -0.304 13.856 -4.898 919 H ASP 114 H ASP 114 1.475 10.998 -8.864 920 HA ASP 114 HA ASP 114 -0.300 8.807 -9.080 921 HB2 ASP 114 2HB ASP 114 0.843 10.183 -10.984 922 HB3 ASP 114 3HB ASP 114 2.193 9.074 -10.792 923 H VAL 115 H VAL 115 -0.143 6.967 -8.116 924 HA VAL 115 HA VAL 115 1.834 5.982 -6.451 925 HB VAL 115 HB VAL 115 -0.457 5.268 -6.230 926 HG11 VAL 115 1HG1 VAL 115 -1.652 3.898 -7.852 927 HG12 VAL 115 2HG1 VAL 115 -0.259 3.901 -8.928 928 HG13 VAL 115 3HG1 VAL 115 -1.124 5.403 -8.599 929 HG21 VAL 115 3HG2 VAL 115 1.163 3.610 -5.441 930 HG22 VAL 115 1HG2 VAL 115 1.190 2.839 -7.027 931 HG23 VAL 115 2HG2 VAL 115 -0.284 2.816 -6.053 932 H ILE 116 H ILE 116 1.293 5.274 -9.889 933 HA ILE 116 HA ILE 116 3.348 3.168 -9.926 934 HB ILE 116 HB ILE 116 1.335 4.052 -12.046 935 HG12 ILE 116 2HG1 ILE 116 1.397 1.572 -10.262 936 HG13 ILE 116 3HG1 ILE 116 0.295 2.930 -10.110 937 HG21 ILE 116 1HG2 ILE 116 3.342 3.170 -13.153 938 HG22 ILE 116 2HG2 ILE 116 1.992 2.054 -13.345 939 HG23 ILE 116 3HG2 ILE 116 3.262 1.702 -12.173 940 HD11 ILE 116 3HD1 ILE 116 0.370 0.978 -12.412 941 HD12 ILE 116 1HD1 ILE 116 -0.740 2.343 -12.239 942 HD13 ILE 116 2HD1 ILE 116 -0.796 1.010 -11.088 943 H SER 117 H SER 117 2.477 6.069 -11.809 944 HA SER 117 HA SER 117 4.900 6.023 -13.323 945 HB2 SER 117 2HB SER 117 2.684 8.104 -13.208 946 HB3 SER 117 3HB SER 117 3.940 8.002 -14.449 947 HG SER 117 HG SER 117 1.962 6.044 -13.869 948 H LYS 118 H LYS 118 6.588 7.334 -13.265 949 HA LYS 118 HA LYS 118 6.826 9.632 -11.482 950 HB2 LYS 118 2HB LYS 118 9.035 8.866 -10.645 951 HB3 LYS 118 3HB LYS 118 7.745 7.794 -10.128 952 HG2 LYS 118 2HG LYS 118 9.547 7.158 -12.498 953 HG3 LYS 118 3HG LYS 118 9.958 6.716 -10.838 954 HD2 LYS 118 2HD LYS 118 7.853 5.371 -10.707 955 HD3 LYS 118 3HD LYS 118 7.511 5.769 -12.396 956 HE2 LYS 118 2HE LYS 118 9.890 4.195 -11.348 957 HE3 LYS 118 3HE LYS 118 8.510 3.541 -12.232 958 HZ1 LYS 118 3HZ LYS 118 10.521 5.458 -13.313 959 HZ2 LYS 118 1HZ LYS 118 9.184 4.864 -14.160 960 HZ3 LYS 118 2HZ LYS 118 10.409 3.810 -13.676 961 H GLU 119 H GLU 119 6.315 9.473 -14.176 962 HA GLU 119 HA GLU 119 8.607 9.619 -15.872 963 HB2 GLU 119 2HB GLU 119 6.357 8.896 -16.660 964 HB3 GLU 119 3HB GLU 119 5.718 10.498 -16.333 965 HG2 GLU 119 2HG GLU 119 6.097 10.211 -18.725 966 HG3 GLU 119 3HG GLU 119 7.169 11.460 -18.076 Start of MODEL 4 1 H1 MET 1 1H MET 1 -7.958 42.676 44.022 2 H2 MET 1 2H MET 1 -9.625 42.406 44.064 3 H3 MET 1 3H MET 1 -9.011 43.946 44.377 4 HA MET 1 HA MET 1 -9.965 43.824 42.184 5 HB2 MET 1 2HB MET 1 -6.920 44.065 42.194 6 HB3 MET 1 3HB MET 1 -7.963 44.625 40.888 7 HG2 MET 1 2HG MET 1 -7.304 46.499 42.295 8 HG3 MET 1 3HG MET 1 -9.039 46.216 42.439 9 HE1 MET 1 3HE MET 1 -8.122 47.449 46.075 10 HE2 MET 1 1HE MET 1 -9.151 47.723 44.668 11 HE3 MET 1 2HE MET 1 -7.417 48.037 44.570 12 H GLY 2 H GLY 2 -10.464 42.537 40.483 13 HA2 GLY 2 2HA GLY 2 -9.782 39.785 40.520 14 HA3 GLY 2 3HA GLY 2 -10.716 40.609 39.282 15 H HIS 3 H HIS 3 -8.497 38.555 39.251 16 HA HIS 3 HA HIS 3 -6.833 39.833 37.162 17 HB2 HIS 3 2HB HIS 3 -5.950 37.826 39.279 18 HB3 HIS 3 3HB HIS 3 -5.012 38.149 37.823 19 HD1 HIS 3 HD1 HIS 3 -3.705 40.367 37.723 20 HD2 HIS 3 HD2 HIS 3 -5.904 39.913 41.223 21 HE1 HIS 3 HE1 HIS 3 -2.888 42.152 39.275 22 HE2 HIS 3 HE2 HIS 3 -4.100 41.755 41.424 23 H HIS 4 H HIS 4 -6.747 38.793 35.284 24 HA HIS 4 HA HIS 4 -7.381 35.975 34.992 25 HB2 HIS 4 2HB HIS 4 -9.120 36.334 33.263 26 HB3 HIS 4 3HB HIS 4 -9.628 36.973 34.821 27 HD1 HIS 4 HD1 HIS 4 -9.942 37.808 31.453 28 HD2 HIS 4 HD2 HIS 4 -8.832 40.001 34.800 29 HE1 HIS 4 HE1 HIS 4 -10.397 40.205 30.875 30 HE2 HIS 4 HE2 HIS 4 -9.798 41.498 32.934 31 H HIS 5 H HIS 5 -6.558 35.091 33.077 32 HA HIS 5 HA HIS 5 -4.871 36.837 31.382 33 HB2 HIS 5 2HB HIS 5 -3.999 34.190 32.653 34 HB3 HIS 5 3HB HIS 5 -3.054 35.113 31.486 35 HD1 HIS 5 HD1 HIS 5 -3.840 34.867 35.086 36 HD2 HIS 5 HD2 HIS 5 -2.001 37.599 32.554 37 HE1 HIS 5 HE1 HIS 5 -2.600 36.448 36.584 38 HE2 HIS 5 HE2 HIS 5 -1.578 38.141 35.046 39 H HIS 6 H HIS 6 -4.497 35.987 29.255 40 HA HIS 6 HA HIS 6 -6.574 34.170 28.296 41 HB2 HIS 6 2HB HIS 6 -4.490 35.886 26.895 42 HB3 HIS 6 3HB HIS 6 -5.441 34.696 26.010 43 HD1 HIS 6 HD1 HIS 6 -5.516 38.172 26.963 44 HD2 HIS 6 HD2 HIS 6 -8.384 35.221 26.356 45 HE1 HIS 6 HE1 HIS 6 -7.679 39.393 26.593 46 HE2 HIS 6 HE2 HIS 6 -9.414 37.592 26.375 47 H HIS 7 H HIS 7 -6.296 32.049 27.948 48 HA HIS 7 HA HIS 7 -3.812 30.692 28.495 49 HB2 HIS 7 2HB HIS 7 -6.522 29.690 27.527 50 HB3 HIS 7 3HB HIS 7 -5.151 28.620 27.801 51 HD1 HIS 7 HD1 HIS 7 -8.071 29.843 29.478 52 HD2 HIS 7 HD2 HIS 7 -4.204 28.883 30.660 53 HE1 HIS 7 HE1 HIS 7 -8.205 29.403 31.943 54 HE2 HIS 7 HE2 HIS 7 -5.834 29.000 32.658 55 H HIS 8 H HIS 8 -2.262 30.297 27.061 56 HA HIS 8 HA HIS 8 -2.643 30.654 24.182 57 HB2 HIS 8 2HB HIS 8 -0.208 30.196 25.956 58 HB3 HIS 8 3HB HIS 8 -0.101 30.222 24.198 59 HD1 HIS 8 HD1 HIS 8 -0.674 32.470 27.154 60 HD2 HIS 8 HD2 HIS 8 -0.300 32.763 23.021 61 HE1 HIS 8 HE1 HIS 8 -0.373 34.916 26.675 62 HE2 HIS 8 HE2 HIS 8 -0.056 35.057 24.187 63 H SER 9 H SER 9 -3.232 28.953 22.968 64 HA SER 9 HA SER 9 -2.798 26.180 23.853 65 HB2 SER 9 2HB SER 9 -4.426 27.283 21.514 66 HB3 SER 9 3HB SER 9 -4.400 25.599 22.056 67 HG SER 9 HG SER 9 -5.276 27.849 23.541 68 H HIS 10 H HIS 10 -1.867 24.622 22.421 69 HA HIS 10 HA HIS 10 0.367 25.418 20.866 70 HB2 HIS 10 2HB HIS 10 0.366 23.213 21.928 71 HB3 HIS 10 3HB HIS 10 -1.083 22.733 21.049 72 HD1 HIS 10 HD1 HIS 10 -0.658 21.402 18.982 73 HD2 HIS 10 HD2 HIS 10 2.669 23.660 20.043 74 HE1 HIS 10 HE1 HIS 10 1.138 20.773 17.356 75 HE2 HIS 10 HE2 HIS 10 3.127 22.146 17.997 76 H MET 11 H MET 11 -0.149 26.763 19.244 77 HA MET 11 HA MET 11 -2.276 26.239 17.339 78 HB2 MET 11 2HB MET 11 -0.088 28.366 17.372 79 HB3 MET 11 3HB MET 11 -1.413 28.302 16.217 80 HG2 MET 11 2HG MET 11 -3.036 28.633 18.024 81 HG3 MET 11 3HG MET 11 -1.729 28.641 19.208 82 HE1 MET 11 3HE MET 11 -2.323 31.968 16.038 83 HE2 MET 11 1HE MET 11 -3.401 30.576 16.190 84 HE3 MET 11 2HE MET 11 -1.746 30.364 15.609 85 H ASN 12 H ASN 12 -1.934 24.498 16.084 86 HA ASN 12 HA ASN 12 0.708 23.519 15.472 87 HB2 ASN 12 2HB ASN 12 -0.459 21.571 14.502 88 HB3 ASN 12 3HB ASN 12 -1.126 21.965 16.081 89 HD21 ASN 12 1HD2 ASN 12 -3.218 22.968 16.176 90 HD22 ASN 12 2HD2 ASN 12 -4.330 22.808 14.865 91 H SER 13 H SER 13 1.671 23.321 13.473 92 HA SER 13 HA SER 13 0.632 24.971 11.251 93 HB2 SER 13 2HB SER 13 2.962 25.439 12.028 94 HB3 SER 13 3HB SER 13 3.408 23.764 11.692 95 HG SER 13 HG SER 13 3.994 24.896 9.916 96 H GLN 14 H GLN 14 -0.932 23.520 10.456 97 HA GLN 14 HA GLN 14 -0.515 20.755 10.021 98 HB2 GLN 14 2HB GLN 14 -2.773 21.836 10.228 99 HB3 GLN 14 3HB GLN 14 -2.552 22.562 8.639 100 HG2 GLN 14 2HG GLN 14 -2.451 20.306 7.631 101 HG3 GLN 14 3HG GLN 14 -2.645 19.588 9.226 102 HE21 GLN 14 1HE2 GLN 14 -4.450 22.414 8.034 103 HE22 GLN 14 2HE2 GLN 14 -5.980 21.617 7.997 104 H ARG 15 H ARG 15 1.377 20.436 8.937 105 HA ARG 15 HA ARG 15 1.362 20.933 6.024 106 HB2 ARG 15 2HB ARG 15 3.774 21.242 7.865 107 HB3 ARG 15 3HB ARG 15 3.867 21.174 6.110 108 HG2 ARG 15 2HG ARG 15 2.365 23.243 6.079 109 HG3 ARG 15 3HG ARG 15 2.656 23.363 7.817 110 HD2 ARG 15 2HD ARG 15 4.201 24.802 6.523 111 HD3 ARG 15 3HD ARG 15 5.084 23.552 7.415 112 HE ARG 15 HE ARG 15 4.373 22.914 4.654 113 HH11 ARG 15 1HH1 ARG 15 6.937 24.070 6.771 114 HH12 ARG 15 2HH1 ARG 15 8.188 23.711 5.622 115 HH21 ARG 15 1HH2 ARG 15 6.018 22.408 3.201 116 HH22 ARG 15 2HH2 ARG 15 7.667 22.770 3.599 117 H LEU 16 H LEU 16 0.355 18.782 6.311 118 HA LEU 16 HA LEU 16 2.318 16.688 5.896 119 HB2 LEU 16 2HB LEU 16 1.435 15.106 7.483 120 HB3 LEU 16 3HB LEU 16 1.829 16.561 8.370 121 HG LEU 16 HG LEU 16 -1.011 15.776 7.562 122 HD11 LEU 16 1HD1 LEU 16 0.335 15.457 10.262 123 HD12 LEU 16 2HD1 LEU 16 -0.115 14.154 9.159 124 HD13 LEU 16 3HD1 LEU 16 -1.366 15.141 9.906 125 HD21 LEU 16 3HD2 LEU 16 -0.766 18.203 7.886 126 HD22 LEU 16 1HD2 LEU 16 -0.068 17.935 9.485 127 HD23 LEU 16 2HD2 LEU 16 -1.748 17.492 9.164 128 H ILE 17 H ILE 17 1.511 15.009 4.645 129 HA ILE 17 HA ILE 17 -0.958 15.513 3.187 130 HB ILE 17 HB ILE 17 1.162 13.342 2.882 131 HG12 ILE 17 2HG1 ILE 17 0.552 15.840 1.223 132 HG13 ILE 17 3HG1 ILE 17 1.902 15.672 2.336 133 HG21 ILE 17 1HG2 ILE 17 -1.234 13.919 1.091 134 HG22 ILE 17 2HG2 ILE 17 -1.014 12.483 2.092 135 HG23 ILE 17 3HG2 ILE 17 0.062 12.779 0.728 136 HD11 ILE 17 3HD1 ILE 17 2.817 13.904 0.912 137 HD12 ILE 17 1HD1 ILE 17 2.632 15.445 0.075 138 HD13 ILE 17 2HD1 ILE 17 1.477 14.145 -0.213 139 H HIS 18 H HIS 18 -2.631 15.145 4.397 140 HA HIS 18 HA HIS 18 -2.772 13.385 6.614 141 HB2 HIS 18 2HB HIS 18 -3.889 15.538 6.628 142 HB3 HIS 18 3HB HIS 18 -4.835 15.126 5.204 143 HD1 HIS 18 HD1 HIS 18 -4.397 13.464 8.631 144 HD2 HIS 18 HD2 HIS 18 -7.375 14.650 5.981 145 HE1 HIS 18 HE1 HIS 18 -6.570 12.804 9.704 146 HE2 HIS 18 HE2 HIS 18 -8.343 13.647 8.150 147 H ILE 19 H ILE 19 -3.422 11.335 6.719 148 HA ILE 19 HA ILE 19 -4.836 10.034 4.465 149 HB ILE 19 HB ILE 19 -2.452 8.861 6.000 150 HG12 ILE 19 2HG1 ILE 19 -1.699 10.534 4.323 151 HG13 ILE 19 3HG1 ILE 19 -1.191 8.912 3.876 152 HG21 ILE 19 1HG2 ILE 19 -4.097 7.616 3.757 153 HG22 ILE 19 2HG2 ILE 19 -4.083 7.111 5.449 154 HG23 ILE 19 3HG2 ILE 19 -2.636 6.917 4.460 155 HD11 ILE 19 3HD1 ILE 19 -1.910 10.185 1.939 156 HD12 ILE 19 1HD1 ILE 19 -3.496 10.447 2.666 157 HD13 ILE 19 2HD1 ILE 19 -2.993 8.819 2.208 158 H LYS 20 H LYS 20 -6.618 8.959 5.245 159 HA LYS 20 HA LYS 20 -6.945 8.668 8.162 160 HB2 LYS 20 2HB LYS 20 -8.666 9.992 7.005 161 HB3 LYS 20 3HB LYS 20 -8.995 8.665 5.895 162 HG2 LYS 20 2HG LYS 20 -9.925 7.315 7.705 163 HG3 LYS 20 3HG LYS 20 -9.450 8.526 8.900 164 HD2 LYS 20 2HD LYS 20 -11.858 8.704 8.425 165 HD3 LYS 20 3HD LYS 20 -11.018 10.154 7.880 166 HE2 LYS 20 2HE LYS 20 -11.060 9.297 5.555 167 HE3 LYS 20 3HE LYS 20 -11.915 7.857 6.103 168 HZ1 LYS 20 3HZ LYS 20 -12.924 10.642 6.316 169 HZ2 LYS 20 1HZ LYS 20 -13.747 9.242 6.804 170 HZ3 LYS 20 2HZ LYS 20 -13.414 9.500 5.167 171 H THR 21 H THR 21 -6.958 6.691 9.049 172 HA THR 21 HA THR 21 -6.533 4.334 7.348 173 HB THR 21 HB THR 21 -6.196 4.633 10.376 174 HG1 THR 21 HG1 THR 21 -4.734 5.674 8.469 175 HG21 THR 21 3HG2 THR 21 -5.231 2.454 8.469 176 HG22 THR 21 1HG2 THR 21 -6.494 2.269 9.685 177 HG23 THR 21 2HG2 THR 21 -4.826 2.562 10.183 178 H LEU 22 H LEU 22 -8.223 3.075 6.927 179 HA LEU 22 HA LEU 22 -10.623 3.030 8.672 180 HB2 LEU 22 2HB LEU 22 -10.439 2.619 5.651 181 HB3 LEU 22 3HB LEU 22 -11.917 2.548 6.602 182 HG LEU 22 HG LEU 22 -10.208 5.049 6.283 183 HD11 LEU 22 1HD1 LEU 22 -11.205 4.402 4.139 184 HD12 LEU 22 2HD1 LEU 22 -11.933 5.880 4.762 185 HD13 LEU 22 3HD1 LEU 22 -12.806 4.350 4.884 186 HD21 LEU 22 3HD2 LEU 22 -12.152 6.237 7.257 187 HD22 LEU 22 1HD2 LEU 22 -11.475 5.060 8.381 188 HD23 LEU 22 2HD2 LEU 22 -12.968 4.694 7.513 189 H THR 23 H THR 23 -11.353 1.054 9.311 190 HA THR 23 HA THR 23 -9.774 -1.328 8.772 191 HB THR 23 HB THR 23 -11.319 -2.395 10.463 192 HG1 THR 23 HG1 THR 23 -13.164 -1.074 10.066 193 HG21 THR 23 3HG2 THR 23 -10.119 0.250 11.381 194 HG22 THR 23 1HG2 THR 23 -9.227 -1.264 11.209 195 HG23 THR 23 2HG2 THR 23 -10.507 -1.127 12.414 196 H THR 24 H THR 24 -10.754 -3.351 8.066 197 HA THR 24 HA THR 24 -12.896 -3.002 6.044 198 HB THR 24 HB THR 24 -11.629 -4.584 4.599 199 HG1 THR 24 HG1 THR 24 -9.351 -4.442 6.246 200 HG21 THR 24 3HG2 THR 24 -9.851 -2.288 5.508 201 HG22 THR 24 1HG2 THR 24 -11.109 -2.193 4.274 202 HG23 THR 24 2HG2 THR 24 -9.675 -3.182 3.997 203 HA PRO 25 HA PRO 25 -14.446 -6.982 7.850 204 HB2 PRO 25 2HB PRO 25 -15.403 -8.372 5.717 205 HB3 PRO 25 3HB PRO 25 -16.213 -6.907 6.304 206 HG2 PRO 25 2HG PRO 25 -14.296 -7.187 4.002 207 HG3 PRO 25 3HG PRO 25 -15.863 -6.344 4.055 208 HD2 PRO 25 2HD PRO 25 -13.518 -5.006 4.325 209 HD3 PRO 25 3HD PRO 25 -14.991 -4.504 5.189 210 H ASN 26 H ASN 26 -11.548 -6.727 6.469 211 HA ASN 26 HA ASN 26 -10.912 -9.619 6.454 212 HB2 ASN 26 2HB ASN 26 -9.400 -7.376 5.029 213 HB3 ASN 26 3HB ASN 26 -9.103 -9.108 4.885 214 HD21 ASN 26 1HD2 ASN 26 -10.596 -10.366 3.675 215 HD22 ASN 26 2HD2 ASN 26 -11.684 -9.649 2.543 216 H GLU 27 H GLU 27 -8.831 -10.161 7.408 217 HA GLU 27 HA GLU 27 -7.848 -8.262 9.456 218 HB2 GLU 27 2HB GLU 27 -6.870 -10.128 10.640 219 HB3 GLU 27 3HB GLU 27 -8.534 -10.532 10.266 220 HG2 GLU 27 2HG GLU 27 -6.114 -11.568 8.751 221 HG3 GLU 27 3HG GLU 27 -6.960 -12.449 10.016 222 H ASN 28 H ASN 28 -6.845 -10.155 6.646 223 HA ASN 28 HA ASN 28 -4.064 -9.510 6.758 224 HB2 ASN 28 2HB ASN 28 -5.753 -10.370 4.370 225 HB3 ASN 28 3HB ASN 28 -3.996 -10.260 4.366 226 HD21 ASN 28 1HD2 ASN 28 -3.635 -11.420 7.042 227 HD22 ASN 28 2HD2 ASN 28 -4.028 -13.095 6.883 228 H ALA 29 H ALA 29 -6.894 -8.051 5.198 229 HA ALA 29 HA ALA 29 -5.272 -6.003 3.857 230 HB1 ALA 29 3HB ALA 29 -7.037 -7.129 2.571 231 HB2 ALA 29 1HB ALA 29 -7.373 -5.408 2.720 232 HB3 ALA 29 2HB ALA 29 -8.261 -6.564 3.710 233 H LEU 30 H LEU 30 -5.264 -3.847 4.395 234 HA LEU 30 HA LEU 30 -7.265 -2.749 6.254 235 HB2 LEU 30 2HB LEU 30 -5.212 -3.286 7.600 236 HB3 LEU 30 3HB LEU 30 -4.273 -2.247 6.543 237 HG LEU 30 HG LEU 30 -5.681 -0.289 7.292 238 HD11 LEU 30 1HD1 LEU 30 -7.072 -0.489 9.311 239 HD12 LEU 30 2HD1 LEU 30 -6.830 -2.237 9.318 240 HD13 LEU 30 3HD1 LEU 30 -7.704 -1.472 7.989 241 HD21 LEU 30 3HD2 LEU 30 -4.605 -0.028 9.486 242 HD22 LEU 30 1HD2 LEU 30 -3.486 -0.696 8.298 243 HD23 LEU 30 2HD2 LEU 30 -4.213 -1.750 9.512 244 H LYS 31 H LYS 31 -7.935 -0.757 5.647 245 HA LYS 31 HA LYS 31 -7.074 0.189 3.008 246 HB2 LYS 31 2HB LYS 31 -9.475 -0.369 3.524 247 HB3 LYS 31 3HB LYS 31 -9.509 0.947 4.690 248 HG2 LYS 31 2HG LYS 31 -9.149 2.581 2.875 249 HG3 LYS 31 3HG LYS 31 -9.044 1.264 1.700 250 HD2 LYS 31 2HD LYS 31 -11.399 0.604 2.327 251 HD3 LYS 31 3HD LYS 31 -11.482 2.034 3.357 252 HE2 LYS 31 2HE LYS 31 -11.173 3.479 1.387 253 HE3 LYS 31 3HE LYS 31 -11.038 2.054 0.352 254 HZ1 LYS 31 3HZ LYS 31 -13.419 3.039 1.802 255 HZ2 LYS 31 1HZ LYS 31 -13.329 1.458 1.210 256 HZ3 LYS 31 2HZ LYS 31 -13.228 2.764 0.146 257 H PHE 32 H PHE 32 -5.979 2.031 2.738 258 HA PHE 32 HA PHE 32 -5.864 4.128 4.836 259 HB2 PHE 32 2HB PHE 32 -3.728 3.318 2.796 260 HB3 PHE 32 3HB PHE 32 -3.617 4.719 3.855 261 HD1 PHE 32 HD1 PHE 32 -3.205 4.446 6.280 262 HD2 PHE 32 HD2 PHE 32 -3.368 1.038 3.686 263 HE1 PHE 32 HE1 PHE 32 -2.145 3.061 8.020 264 HE2 PHE 32 HE2 PHE 32 -2.302 -0.332 5.438 265 HZ PHE 32 HZ PHE 32 -1.690 0.678 7.599 266 H LEU 33 H LEU 33 -6.765 6.001 4.194 267 HA LEU 33 HA LEU 33 -7.627 6.293 1.375 268 HB2 LEU 33 2HB LEU 33 -9.439 6.014 3.060 269 HB3 LEU 33 3HB LEU 33 -8.856 7.422 3.932 270 HG LEU 33 HG LEU 33 -9.452 8.878 2.001 271 HD11 LEU 33 1HD1 LEU 33 -9.140 7.315 0.169 272 HD12 LEU 33 2HD1 LEU 33 -10.759 8.002 0.107 273 HD13 LEU 33 3HD1 LEU 33 -10.520 6.356 0.705 274 HD21 LEU 33 3HD2 LEU 33 -11.127 8.553 3.756 275 HD22 LEU 33 1HD2 LEU 33 -11.765 7.135 2.923 276 HD23 LEU 33 2HD2 LEU 33 -11.909 8.737 2.191 277 H SER 34 H SER 34 -6.817 7.943 0.250 278 HA SER 34 HA SER 34 -5.186 10.058 1.315 279 HB2 SER 34 2HB SER 34 -6.410 9.651 -1.457 280 HB3 SER 34 3HB SER 34 -5.173 10.848 -1.061 281 HG SER 34 HG SER 34 -3.938 8.926 -0.297 282 H THR 35 H THR 35 -6.127 11.708 2.440 283 HA THR 35 HA THR 35 -9.055 12.094 2.144 284 HB THR 35 HB THR 35 -7.340 12.626 4.614 285 HG1 THR 35 HG1 THR 35 -7.787 10.313 3.580 286 HG21 THR 35 3HG2 THR 35 -9.494 12.500 5.832 287 HG22 THR 35 1HG2 THR 35 -10.360 12.283 4.312 288 HG23 THR 35 2HG2 THR 35 -9.527 13.804 4.647 289 H ASP 36 H ASP 36 -5.963 13.820 2.347 290 HA ASP 36 HA ASP 36 -7.235 16.442 2.402 291 HB2 ASP 36 2HB ASP 36 -4.993 17.355 2.465 292 HB3 ASP 36 3HB ASP 36 -5.085 16.009 3.589 293 H GLY 37 H GLY 37 -5.470 17.835 0.584 294 HA2 GLY 37 2HA GLY 37 -7.002 17.695 -1.796 295 HA3 GLY 37 3HA GLY 37 -5.551 18.655 -1.560 296 H GLU 38 H GLU 38 -4.160 15.901 -0.891 297 HA GLU 38 HA GLU 38 -3.363 15.323 -3.631 298 HB2 GLU 38 2HB GLU 38 -2.332 14.152 -1.008 299 HB3 GLU 38 3HB GLU 38 -1.628 13.897 -2.600 300 HG2 GLU 38 2HG GLU 38 -1.710 16.475 -1.020 301 HG3 GLU 38 3HG GLU 38 -0.290 15.516 -1.435 302 H MET 39 H MET 39 -3.443 13.255 -4.556 303 HA MET 39 HA MET 39 -5.302 11.237 -3.504 304 HB2 MET 39 2HB MET 39 -6.685 12.994 -4.693 305 HB3 MET 39 3HB MET 39 -5.753 12.710 -6.152 306 HG2 MET 39 2HG MET 39 -6.608 10.382 -6.211 307 HG3 MET 39 3HG MET 39 -7.585 10.728 -4.781 308 HE1 MET 39 3HE MET 39 -8.894 9.560 -7.420 309 HE2 MET 39 1HE MET 39 -10.304 10.599 -7.631 310 HE3 MET 39 2HE MET 39 -9.870 10.017 -6.024 311 H LEU 40 H LEU 40 -4.640 9.216 -4.222 312 HA LEU 40 HA LEU 40 -2.011 8.864 -5.057 313 HB2 LEU 40 2HB LEU 40 -4.287 6.861 -5.243 314 HB3 LEU 40 3HB LEU 40 -2.576 6.455 -5.312 315 HG LEU 40 HG LEU 40 -3.917 7.733 -2.896 316 HD11 LEU 40 1HD1 LEU 40 -3.225 4.822 -3.367 317 HD12 LEU 40 2HD1 LEU 40 -4.845 5.519 -3.269 318 HD13 LEU 40 3HD1 LEU 40 -3.806 5.516 -1.847 319 HD21 LEU 40 3HD2 LEU 40 -1.159 6.481 -3.185 320 HD22 LEU 40 1HD2 LEU 40 -1.864 7.083 -1.682 321 HD23 LEU 40 2HD2 LEU 40 -1.507 8.200 -2.994 322 H GLN 41 H GLN 41 -4.959 8.526 -6.913 323 HA GLN 41 HA GLN 41 -3.610 8.967 -9.470 324 HB2 GLN 41 2HB GLN 41 -3.733 6.482 -9.158 325 HB3 GLN 41 3HB GLN 41 -5.471 6.604 -8.908 326 HG2 GLN 41 2HG GLN 41 -5.486 7.700 -11.285 327 HG3 GLN 41 3HG GLN 41 -3.892 6.976 -11.452 328 HE21 GLN 41 1HE2 GLN 41 -4.618 4.561 -9.907 329 HE22 GLN 41 2HE2 GLN 41 -5.642 3.644 -10.945 330 H THR 42 H THR 42 -5.050 9.841 -11.029 331 HA THR 42 HA THR 42 -7.450 11.170 -10.153 332 HB THR 42 HB THR 42 -6.418 10.745 -13.005 333 HG1 THR 42 HG1 THR 42 -4.957 11.761 -11.318 334 HG21 THR 42 3HG2 THR 42 -8.151 12.960 -11.837 335 HG22 THR 42 1HG2 THR 42 -8.737 11.659 -12.868 336 HG23 THR 42 2HG2 THR 42 -7.606 12.852 -13.514 337 H ARG 43 H ARG 43 -9.628 10.648 -10.780 338 HA ARG 43 HA ARG 43 -10.488 7.989 -11.014 339 HB2 ARG 43 2HB ARG 43 -11.904 10.580 -11.792 340 HB3 ARG 43 3HB ARG 43 -12.708 9.017 -11.759 341 HG2 ARG 43 2HG ARG 43 -11.421 10.323 -9.341 342 HG3 ARG 43 3HG ARG 43 -13.133 10.449 -9.749 343 HD2 ARG 43 2HD ARG 43 -11.694 7.824 -9.225 344 HD3 ARG 43 3HD ARG 43 -12.618 8.713 -8.016 345 HE ARG 43 HE ARG 43 -14.372 8.366 -10.101 346 HH11 ARG 43 1HH1 ARG 43 -12.507 6.143 -8.081 347 HH12 ARG 43 2HH1 ARG 43 -13.684 4.877 -8.213 348 HH21 ARG 43 1HH2 ARG 43 -15.910 6.683 -10.228 349 HH22 ARG 43 2HH2 ARG 43 -15.598 5.173 -9.421 350 H GLY 44 H GLY 44 -9.568 6.817 -12.630 351 HA2 GLY 44 2HA GLY 44 -10.355 7.333 -15.410 352 HA3 GLY 44 3HA GLY 44 -8.626 7.354 -15.073 353 H SER 45 H SER 45 -8.267 5.344 -13.283 354 HA SER 45 HA SER 45 -9.076 2.910 -14.762 355 HB2 SER 45 2HB SER 45 -6.636 3.426 -14.779 356 HB3 SER 45 3HB SER 45 -6.613 3.356 -13.021 357 HG SER 45 HG SER 45 -5.937 1.393 -13.877 358 H LYS 46 H LYS 46 -8.716 0.920 -13.175 359 HA LYS 46 HA LYS 46 -10.784 1.218 -11.100 360 HB2 LYS 46 2HB LYS 46 -9.655 -1.264 -12.470 361 HB3 LYS 46 3HB LYS 46 -11.065 -1.220 -11.417 362 HG2 LYS 46 2HG LYS 46 -12.330 0.049 -13.058 363 HG3 LYS 46 3HG LYS 46 -10.898 0.253 -14.073 364 HD2 LYS 46 2HD LYS 46 -10.829 -2.208 -14.454 365 HD3 LYS 46 3HD LYS 46 -12.277 -2.399 -13.461 366 HE2 LYS 46 2HE LYS 46 -12.132 -0.803 -16.044 367 HE3 LYS 46 3HE LYS 46 -12.775 -2.439 -15.892 368 HZ1 LYS 46 3HZ LYS 46 -14.532 -0.779 -15.874 369 HZ2 LYS 46 1HZ LYS 46 -13.849 -0.039 -14.516 370 HZ3 LYS 46 2HZ LYS 46 -14.469 -1.605 -14.398 371 H SER 47 H SER 47 -10.423 -0.795 -9.421 372 HA SER 47 HA SER 47 -8.048 -0.212 -7.882 373 HB2 SER 47 2HB SER 47 -9.004 -1.983 -6.312 374 HB3 SER 47 3HB SER 47 -10.082 -0.629 -6.624 375 HG SER 47 HG SER 47 -10.339 -3.290 -7.299 376 H ILE 48 H ILE 48 -6.323 -0.851 -9.179 377 HA ILE 48 HA ILE 48 -6.102 -3.459 -10.395 378 HB ILE 48 HB ILE 48 -4.044 -1.227 -10.045 379 HG12 ILE 48 2HG1 ILE 48 -5.792 -2.012 -12.433 380 HG13 ILE 48 3HG1 ILE 48 -5.939 -0.545 -11.471 381 HG21 ILE 48 1HG2 ILE 48 -2.678 -2.398 -11.760 382 HG22 ILE 48 2HG2 ILE 48 -3.825 -3.737 -11.760 383 HG23 ILE 48 3HG2 ILE 48 -2.882 -3.388 -10.311 384 HD11 ILE 48 3HD1 ILE 48 -3.667 -1.273 -13.305 385 HD12 ILE 48 1HD1 ILE 48 -3.721 0.163 -12.279 386 HD13 ILE 48 2HD1 ILE 48 -4.907 -0.048 -13.568 387 H VAL 49 H VAL 49 -5.255 -5.286 -9.495 388 HA VAL 49 HA VAL 49 -4.137 -5.181 -6.782 389 HB VAL 49 HB VAL 49 -4.924 -7.569 -8.530 390 HG11 VAL 49 1HG1 VAL 49 -4.046 -7.537 -5.611 391 HG12 VAL 49 2HG1 VAL 49 -3.128 -8.203 -6.965 392 HG13 VAL 49 3HG1 VAL 49 -4.654 -8.944 -6.486 393 HG21 VAL 49 3HG2 VAL 49 -6.860 -7.788 -6.998 394 HG22 VAL 49 1HG2 VAL 49 -6.870 -6.224 -7.816 395 HG23 VAL 49 2HG2 VAL 49 -6.353 -6.336 -6.133 396 H ILE 50 H ILE 50 -1.998 -5.121 -6.500 397 HA ILE 50 HA ILE 50 -0.145 -6.251 -8.530 398 HB ILE 50 HB ILE 50 0.352 -4.023 -6.485 399 HG12 ILE 50 2HG1 ILE 50 0.123 -3.899 -9.535 400 HG13 ILE 50 3HG1 ILE 50 -1.009 -3.212 -8.377 401 HG21 ILE 50 1HG2 ILE 50 2.274 -5.199 -8.539 402 HG22 ILE 50 2HG2 ILE 50 2.381 -5.389 -6.788 403 HG23 ILE 50 3HG2 ILE 50 2.606 -3.799 -7.516 404 HD11 ILE 50 3HD1 ILE 50 1.828 -2.320 -8.853 405 HD12 ILE 50 1HD1 ILE 50 0.742 -1.651 -7.631 406 HD13 ILE 50 2HD1 ILE 50 0.353 -1.487 -9.344 407 H LYS 51 H LYS 51 0.465 -8.250 -7.797 408 HA LYS 51 HA LYS 51 0.643 -8.812 -4.913 409 HB2 LYS 51 2HB LYS 51 1.023 -10.678 -7.299 410 HB3 LYS 51 3HB LYS 51 0.982 -11.172 -5.610 411 HG2 LYS 51 2HG LYS 51 -1.362 -10.594 -5.424 412 HG3 LYS 51 3HG LYS 51 -1.353 -9.856 -7.029 413 HD2 LYS 51 2HD LYS 51 -0.850 -12.099 -8.023 414 HD3 LYS 51 3HD LYS 51 -0.961 -12.813 -6.413 415 HE2 LYS 51 2HE LYS 51 -3.332 -12.122 -6.271 416 HE3 LYS 51 3HE LYS 51 -3.217 -11.391 -7.874 417 HZ1 LYS 51 3HZ LYS 51 -4.209 -13.600 -7.935 418 HZ2 LYS 51 1HZ LYS 51 -2.808 -14.274 -7.279 419 HZ3 LYS 51 2HZ LYS 51 -2.768 -13.564 -8.813 420 H ASN 52 H ASN 52 2.555 -9.965 -4.145 421 HA ASN 52 HA ASN 52 4.995 -8.686 -4.564 422 HB2 ASN 52 2HB ASN 52 5.991 -10.665 -3.264 423 HB3 ASN 52 3HB ASN 52 4.675 -9.804 -2.480 424 HD21 ASN 52 1HD2 ASN 52 4.350 -11.648 -1.149 425 HD22 ASN 52 2HD2 ASN 52 3.528 -13.047 -1.743 426 H THR 53 H THR 53 3.607 -11.362 -6.295 427 HA THR 53 HA THR 53 6.017 -12.378 -7.476 428 HB THR 53 HB THR 53 4.318 -13.567 -9.019 429 HG1 THR 53 HG1 THR 53 2.619 -11.963 -8.606 430 HG21 THR 53 3HG2 THR 53 4.015 -13.946 -6.019 431 HG22 THR 53 1HG2 THR 53 5.250 -14.697 -7.032 432 HG23 THR 53 2HG2 THR 53 3.549 -15.111 -7.258 433 H ASP 54 H ASP 54 3.661 -9.901 -8.317 434 HA ASP 54 HA ASP 54 4.212 -9.924 -11.164 435 HB2 ASP 54 2HB ASP 54 2.481 -8.088 -9.457 436 HB3 ASP 54 3HB ASP 54 2.610 -7.973 -11.212 437 H GLU 55 H GLU 55 6.509 -9.571 -10.833 438 HA GLU 55 HA GLU 55 7.823 -7.416 -9.795 439 HB2 GLU 55 2HB GLU 55 8.844 -9.504 -10.775 440 HB3 GLU 55 3HB GLU 55 8.577 -8.845 -12.386 441 HG2 GLU 55 2HG GLU 55 10.891 -8.513 -11.739 442 HG3 GLU 55 3HG GLU 55 10.085 -6.949 -11.831 443 H ASN 56 H ASN 56 6.323 -7.675 -13.001 444 HA ASN 56 HA ASN 56 7.199 -5.276 -14.146 445 HB2 ASN 56 2HB ASN 56 5.310 -5.508 -15.732 446 HB3 ASN 56 3HB ASN 56 6.143 -7.035 -15.499 447 HD21 ASN 56 1HD2 ASN 56 3.360 -6.393 -16.418 448 HD22 ASN 56 2HD2 ASN 56 2.327 -7.339 -15.402 449 H LEU 57 H LEU 57 4.237 -5.934 -12.247 450 HA LEU 57 HA LEU 57 3.118 -3.317 -12.542 451 HB2 LEU 57 2HB LEU 57 2.466 -5.511 -10.543 452 HB3 LEU 57 3HB LEU 57 1.503 -4.067 -10.795 453 HG LEU 57 HG LEU 57 1.915 -6.332 -12.786 454 HD11 LEU 57 1HD1 LEU 57 0.355 -6.879 -10.972 455 HD12 LEU 57 2HD1 LEU 57 -0.507 -6.712 -12.499 456 HD13 LEU 57 3HD1 LEU 57 -0.578 -5.416 -11.302 457 HD21 LEU 57 3HD2 LEU 57 0.359 -3.748 -13.172 458 HD22 LEU 57 1HD2 LEU 57 0.365 -5.120 -14.282 459 HD23 LEU 57 2HD2 LEU 57 1.845 -4.206 -14.007 460 H ILE 58 H ILE 58 4.983 -4.939 -10.016 461 HA ILE 58 HA ILE 58 5.005 -2.995 -7.999 462 HB ILE 58 HB ILE 58 7.229 -4.964 -8.772 463 HG12 ILE 58 2HG1 ILE 58 5.050 -5.262 -6.643 464 HG13 ILE 58 3HG1 ILE 58 5.020 -6.042 -8.216 465 HG21 ILE 58 1HG2 ILE 58 8.136 -3.190 -7.331 466 HG22 ILE 58 2HG2 ILE 58 8.066 -4.709 -6.443 467 HG23 ILE 58 3HG2 ILE 58 6.853 -3.460 -6.151 468 HD11 ILE 58 3HD1 ILE 58 7.051 -7.283 -7.626 469 HD12 ILE 58 1HD1 ILE 58 5.717 -7.592 -6.515 470 HD13 ILE 58 2HD1 ILE 58 7.034 -6.524 -6.032 471 H ASN 59 H ASN 59 7.198 -3.507 -10.747 472 HA ASN 59 HA ASN 59 8.910 -1.310 -10.298 473 HB2 ASN 59 2HB ASN 59 8.369 -2.896 -12.833 474 HB3 ASN 59 3HB ASN 59 9.663 -1.708 -12.676 475 HD21 ASN 59 1HD2 ASN 59 9.847 -4.551 -13.211 476 HD22 ASN 59 2HD2 ASN 59 10.812 -5.224 -11.953 477 H HIS 60 H HIS 60 5.801 -1.474 -11.924 478 HA HIS 60 HA HIS 60 6.035 0.969 -13.394 479 HB2 HIS 60 2HB HIS 60 3.583 -0.593 -12.484 480 HB3 HIS 60 3HB HIS 60 3.505 0.811 -13.549 481 HD1 HIS 60 HD1 HIS 60 2.623 -2.159 -14.296 482 HD2 HIS 60 HD2 HIS 60 6.158 -0.282 -15.425 483 HE1 HIS 60 HE1 HIS 60 3.419 -3.380 -16.342 484 HE2 HIS 60 HE2 HIS 60 5.601 -2.298 -16.942 485 H SER 61 H SER 61 4.943 0.172 -10.146 486 HA SER 61 HA SER 61 4.529 3.046 -9.533 487 HB2 SER 61 2HB SER 61 2.966 2.205 -7.718 488 HB3 SER 61 3HB SER 61 2.420 1.855 -9.353 489 HG SER 61 HG SER 61 3.939 -0.180 -8.458 490 H LYS 62 H LYS 62 6.396 3.720 -8.603 491 HA LYS 62 HA LYS 62 8.248 2.081 -7.221 492 HB2 LYS 62 2HB LYS 62 8.847 4.226 -8.323 493 HB3 LYS 62 3HB LYS 62 7.984 5.116 -7.074 494 HG2 LYS 62 2HG LYS 62 9.571 4.414 -5.380 495 HG3 LYS 62 3HG LYS 62 10.346 3.285 -6.491 496 HD2 LYS 62 2HD LYS 62 10.360 6.319 -6.732 497 HD3 LYS 62 3HD LYS 62 11.708 5.322 -6.184 498 HE2 LYS 62 2HE LYS 62 10.481 5.350 -8.964 499 HE3 LYS 62 3HE LYS 62 12.077 5.943 -8.510 500 HZ1 LYS 62 3HZ LYS 62 11.181 3.112 -8.401 501 HZ2 LYS 62 1HZ LYS 62 12.702 3.679 -7.928 502 HZ3 LYS 62 2HZ LYS 62 12.225 3.787 -9.546 503 H LEU 63 H LEU 63 5.380 3.683 -6.153 504 HA LEU 63 HA LEU 63 5.701 3.681 -3.367 505 HB2 LEU 63 2HB LEU 63 3.779 4.716 -4.540 506 HB3 LEU 63 3HB LEU 63 3.189 3.126 -4.996 507 HG LEU 63 HG LEU 63 2.799 2.585 -2.595 508 HD11 LEU 63 1HD1 LEU 63 3.692 5.429 -2.026 509 HD12 LEU 63 2HD1 LEU 63 4.529 3.948 -1.556 510 HD13 LEU 63 3HD1 LEU 63 2.957 4.325 -0.861 511 HD21 LEU 63 3HD2 LEU 63 0.868 4.082 -2.220 512 HD22 LEU 63 1HD2 LEU 63 0.941 3.508 -3.886 513 HD23 LEU 63 2HD2 LEU 63 1.446 5.153 -3.496 514 H ALA 64 H ALA 64 4.550 1.118 -5.600 515 HA ALA 64 HA ALA 64 4.050 -0.893 -3.674 516 HB1 ALA 64 3HB ALA 64 4.781 -1.212 -6.611 517 HB2 ALA 64 1HB ALA 64 3.155 -1.000 -5.963 518 HB3 ALA 64 2HB ALA 64 4.071 -2.456 -5.575 519 H GLN 65 H GLN 65 6.927 -0.101 -5.649 520 HA GLN 65 HA GLN 65 8.644 -2.156 -4.861 521 HB2 GLN 65 2HB GLN 65 9.297 0.734 -5.583 522 HB3 GLN 65 3HB GLN 65 10.527 -0.503 -5.348 523 HG2 GLN 65 2HG GLN 65 9.602 -1.794 -7.229 524 HG3 GLN 65 3HG GLN 65 8.358 -0.567 -7.464 525 HE21 GLN 65 1HE2 GLN 65 10.495 -1.517 -9.286 526 HE22 GLN 65 2HE2 GLN 65 11.347 -0.089 -9.758 527 H GLN 66 H GLN 66 8.183 1.063 -3.342 528 HA GLN 66 HA GLN 66 9.974 0.798 -1.217 529 HB2 GLN 66 2HB GLN 66 7.473 2.473 -1.620 530 HB3 GLN 66 3HB GLN 66 8.395 2.578 -0.127 531 HG2 GLN 66 2HG GLN 66 9.584 3.090 -2.868 532 HG3 GLN 66 3HG GLN 66 8.926 4.351 -1.829 533 HE21 GLN 66 1HE2 GLN 66 11.510 2.011 -2.184 534 HE22 GLN 66 2HE2 GLN 66 12.576 2.719 -1.027 535 H ILE 67 H ILE 67 6.502 -0.063 -1.358 536 HA ILE 67 HA ILE 67 6.185 -0.665 1.394 537 HB ILE 67 HB ILE 67 4.538 -1.494 -1.047 538 HG12 ILE 67 2HG1 ILE 67 3.973 0.683 1.034 539 HG13 ILE 67 3HG1 ILE 67 4.696 0.994 -0.537 540 HG21 ILE 67 1HG2 ILE 67 3.780 -1.743 1.892 541 HG22 ILE 67 2HG2 ILE 67 4.074 -3.077 0.775 542 HG23 ILE 67 3HG2 ILE 67 2.688 -2.015 0.532 543 HD11 ILE 67 3HD1 ILE 67 1.936 -0.114 -0.059 544 HD12 ILE 67 1HD1 ILE 67 2.665 0.205 -1.633 545 HD13 ILE 67 2HD1 ILE 67 2.340 1.538 -0.526 546 H PHE 68 H PHE 68 6.770 -2.752 -1.469 547 HA PHE 68 HA PHE 68 6.892 -5.200 -0.014 548 HB2 PHE 68 2HB PHE 68 7.813 -4.449 -2.818 549 HB3 PHE 68 3HB PHE 68 8.050 -6.066 -2.166 550 HD1 PHE 68 HD1 PHE 68 5.783 -7.053 -0.990 551 HD2 PHE 68 HD2 PHE 68 5.886 -4.222 -4.198 552 HE1 PHE 68 HE1 PHE 68 3.521 -7.731 -1.674 553 HE2 PHE 68 HE2 PHE 68 3.614 -4.911 -4.867 554 HZ PHE 68 HZ PHE 68 2.434 -6.663 -3.606 555 H LEU 69 H LEU 69 9.371 -2.809 -0.905 556 HA LEU 69 HA LEU 69 11.679 -4.395 -0.400 557 HB2 LEU 69 2HB LEU 69 11.770 -2.356 -1.775 558 HB3 LEU 69 3HB LEU 69 11.279 -1.372 -0.410 559 HG LEU 69 HG LEU 69 13.475 -1.973 0.725 560 HD11 LEU 69 1HD1 LEU 69 14.209 -3.156 -1.974 561 HD12 LEU 69 2HD1 LEU 69 14.003 -4.044 -0.464 562 HD13 LEU 69 3HD1 LEU 69 15.319 -2.886 -0.625 563 HD21 LEU 69 3HD2 LEU 69 13.703 -0.521 -1.940 564 HD22 LEU 69 1HD2 LEU 69 14.836 -0.391 -0.590 565 HD23 LEU 69 2HD2 LEU 69 13.182 0.186 -0.409 566 H GLN 70 H GLN 70 10.004 -1.911 1.501 567 HA GLN 70 HA GLN 70 11.784 -2.182 3.770 568 HB2 GLN 70 2HB GLN 70 9.326 -0.454 3.298 569 HB3 GLN 70 3HB GLN 70 10.312 -0.387 4.753 570 HG2 GLN 70 2HG GLN 70 12.275 0.296 3.381 571 HG3 GLN 70 3HG GLN 70 11.251 0.264 1.942 572 HE21 GLN 70 1HE2 GLN 70 11.659 2.478 1.551 573 HE22 GLN 70 2HE2 GLN 70 10.930 3.724 2.503 574 H CYS 71 H CYS 71 8.661 -3.479 2.828 575 HA CYS 71 HA CYS 71 8.397 -4.714 5.503 576 HB2 CYS 71 2HB CYS 71 6.104 -3.823 3.715 577 HB3 CYS 71 3HB CYS 71 5.978 -4.509 5.334 578 HG CYS 71 HG CYS 71 7.873 -1.994 5.799 579 HA PRO 72 HA PRO 72 8.966 -8.158 2.466 580 HB2 PRO 72 2HB PRO 72 9.646 -9.711 4.934 581 HB3 PRO 72 3HB PRO 72 10.613 -9.434 3.468 582 HG2 PRO 72 2HG PRO 72 11.256 -8.240 5.772 583 HG3 PRO 72 3HG PRO 72 11.441 -7.392 4.217 584 HD2 PRO 72 2HD PRO 72 9.212 -7.138 6.249 585 HD3 PRO 72 3HD PRO 72 10.112 -5.860 5.392 586 H GLY 73 H GLY 73 6.862 -7.899 5.197 587 HA2 GLY 73 2HA GLY 73 5.547 -10.491 4.811 588 HA3 GLY 73 3HA GLY 73 5.220 -9.310 6.069 589 H VAL 74 H VAL 74 5.330 -7.843 2.994 590 HA VAL 74 HA VAL 74 2.416 -7.633 2.856 591 HB VAL 74 HB VAL 74 4.475 -6.495 0.899 592 HG11 VAL 74 1HG1 VAL 74 1.541 -5.781 1.337 593 HG12 VAL 74 2HG1 VAL 74 2.206 -6.648 -0.050 594 HG13 VAL 74 3HG1 VAL 74 2.646 -4.964 0.226 595 HG21 VAL 74 3HG2 VAL 74 4.854 -5.615 3.171 596 HG22 VAL 74 1HG2 VAL 74 3.172 -5.094 3.256 597 HG23 VAL 74 2HG2 VAL 74 4.266 -4.364 2.080 598 H GLU 75 H GLU 75 1.215 -9.011 1.678 599 HA GLU 75 HA GLU 75 2.485 -11.038 -0.018 600 HB2 GLU 75 2HB GLU 75 -0.440 -10.813 0.830 601 HB3 GLU 75 3HB GLU 75 0.365 -12.221 0.137 602 HG2 GLU 75 2HG GLU 75 1.853 -12.267 2.202 603 HG3 GLU 75 3HG GLU 75 0.815 -11.014 2.880 604 H SER 76 H SER 76 0.095 -8.433 -0.180 605 HA SER 76 HA SER 76 0.506 -8.041 -3.003 606 HB2 SER 76 2HB SER 76 -1.892 -8.403 -3.661 607 HB3 SER 76 3HB SER 76 -1.111 -9.894 -3.133 608 HG SER 76 HG SER 76 -3.230 -8.541 -2.045 609 H LEU 77 H LEU 77 -0.965 -6.301 -3.818 610 HA LEU 77 HA LEU 77 -1.832 -4.329 -1.797 611 HB2 LEU 77 2HB LEU 77 -0.365 -3.724 -4.412 612 HB3 LEU 77 3HB LEU 77 -0.946 -2.531 -3.259 613 HG LEU 77 HG LEU 77 1.301 -4.526 -2.763 614 HD11 LEU 77 1HD1 LEU 77 1.436 -1.530 -3.197 615 HD12 LEU 77 2HD1 LEU 77 1.948 -2.772 -4.342 616 HD13 LEU 77 3HD1 LEU 77 2.793 -2.591 -2.807 617 HD21 LEU 77 3HD2 LEU 77 0.293 -2.304 -0.971 618 HD22 LEU 77 1HD2 LEU 77 1.721 -3.300 -0.680 619 HD23 LEU 77 2HD2 LEU 77 0.120 -4.036 -0.681 620 H MET 78 H MET 78 -3.693 -3.163 -2.420 621 HA MET 78 HA MET 78 -4.769 -3.615 -5.143 622 HB2 MET 78 2HB MET 78 -6.245 -4.692 -3.469 623 HB3 MET 78 3HB MET 78 -6.359 -3.186 -2.563 624 HG2 MET 78 2HG MET 78 -7.488 -2.116 -4.471 625 HG3 MET 78 3HG MET 78 -7.355 -3.605 -5.404 626 HE1 MET 78 3HE MET 78 -8.795 -5.779 -4.951 627 HE2 MET 78 1HE MET 78 -9.811 -5.991 -3.524 628 HE3 MET 78 2HE MET 78 -8.058 -5.898 -3.349 629 H ILE 79 H ILE 79 -4.145 -1.833 -6.151 630 HA ILE 79 HA ILE 79 -3.837 0.721 -4.835 631 HB ILE 79 HB ILE 79 -3.586 0.166 -7.831 632 HG12 ILE 79 2HG1 ILE 79 -2.055 -1.400 -6.593 633 HG13 ILE 79 3HG1 ILE 79 -1.208 -0.244 -7.605 634 HG21 ILE 79 1HG2 ILE 79 -3.736 2.525 -7.200 635 HG22 ILE 79 2HG2 ILE 79 -2.111 2.152 -7.769 636 HG23 ILE 79 3HG2 ILE 79 -2.414 2.333 -6.040 637 HD11 ILE 79 3HD1 ILE 79 -0.656 1.066 -5.575 638 HD12 ILE 79 1HD1 ILE 79 -0.015 -0.578 -5.554 639 HD13 ILE 79 2HD1 ILE 79 -1.441 -0.181 -4.603 640 H GLY 80 H GLY 80 -5.555 2.059 -4.653 641 HA2 GLY 80 2HA GLY 80 -7.686 2.029 -6.730 642 HA3 GLY 80 3HA GLY 80 -7.874 2.608 -5.076 643 H ASP 81 H ASP 81 -8.746 4.308 -6.770 644 HA ASP 81 HA ASP 81 -6.835 6.159 -7.837 645 HB2 ASP 81 2HB ASP 81 -8.867 7.647 -8.182 646 HB3 ASP 81 3HB ASP 81 -8.964 6.064 -8.934 647 H ASP 82 H ASP 82 -9.067 6.417 -4.987 648 HA ASP 82 HA ASP 82 -7.144 8.373 -3.823 649 HB2 ASP 82 2HB ASP 82 -8.955 9.470 -2.682 650 HB3 ASP 82 3HB ASP 82 -9.402 9.331 -4.376 651 H PHE 83 H PHE 83 -7.997 5.205 -3.567 652 HA PHE 83 HA PHE 83 -7.419 5.136 -0.655 653 HB2 PHE 83 2HB PHE 83 -8.935 3.232 -0.389 654 HB3 PHE 83 3HB PHE 83 -9.819 4.588 -1.075 655 HD1 PHE 83 HD2 PHE 83 -10.374 4.573 -3.577 656 HD2 PHE 83 HD1 PHE 83 -8.823 1.123 -1.562 657 HE1 PHE 83 HE2 PHE 83 -11.146 3.136 -5.425 658 HE2 PHE 83 HE1 PHE 83 -9.595 -0.299 -3.420 659 HZ PHE 83 HZ PHE 83 -10.758 0.704 -5.344 660 H LEU 84 H LEU 84 -6.228 3.259 0.043 661 HA LEU 84 HA LEU 84 -5.121 1.479 -2.006 662 HB2 LEU 84 2HB LEU 84 -3.496 3.293 -1.860 663 HB3 LEU 84 3HB LEU 84 -3.434 3.160 -0.112 664 HG LEU 84 HG LEU 84 -2.340 0.962 -0.287 665 HD11 LEU 84 1HD1 LEU 84 -1.606 0.036 -2.441 666 HD12 LEU 84 2HD1 LEU 84 -2.489 1.306 -3.293 667 HD13 LEU 84 3HD1 LEU 84 -3.364 0.115 -2.330 668 HD21 LEU 84 3HD2 LEU 84 -0.930 2.957 -0.249 669 HD22 LEU 84 1HD2 LEU 84 -0.981 3.053 -2.011 670 HD23 LEU 84 2HD2 LEU 84 -0.189 1.688 -1.217 671 H THR 85 H THR 85 -5.359 -0.515 -1.291 672 HA THR 85 HA THR 85 -5.660 -1.022 1.603 673 HB THR 85 HB THR 85 -6.707 -2.655 -0.756 674 HG1 THR 85 HG1 THR 85 -7.605 -0.368 0.148 675 HG21 THR 85 3HG2 THR 85 -6.364 -4.017 1.290 676 HG22 THR 85 1HG2 THR 85 -8.081 -3.797 0.954 677 HG23 THR 85 2HG2 THR 85 -7.306 -2.849 2.224 678 H ILE 86 H ILE 86 -3.783 -1.724 2.397 679 HA ILE 86 HA ILE 86 -1.862 -3.266 0.796 680 HB ILE 86 HB ILE 86 -1.606 -2.396 3.711 681 HG12 ILE 86 2HG1 ILE 86 -2.022 -0.387 2.328 682 HG13 ILE 86 3HG1 ILE 86 -0.399 -0.401 2.998 683 HG21 ILE 86 1HG2 ILE 86 0.519 -3.132 1.667 684 HG22 ILE 86 2HG2 ILE 86 -0.004 -4.128 3.027 685 HG23 ILE 86 3HG2 ILE 86 0.824 -2.599 3.323 686 HD11 ILE 86 3HD1 ILE 86 0.473 -1.122 0.818 687 HD12 ILE 86 1HD1 ILE 86 -0.385 0.416 0.741 688 HD13 ILE 86 2HD1 ILE 86 -1.164 -1.053 0.159 689 H ASN 87 H ASN 87 -1.387 -5.442 1.239 690 HA ASN 87 HA ASN 87 -3.097 -6.836 3.233 691 HB2 ASN 87 2HB ASN 87 -1.903 -7.945 0.646 692 HB3 ASN 87 3HB ASN 87 -2.912 -8.837 1.784 693 HD21 ASN 87 1HD2 ASN 87 -2.898 -6.287 -0.620 694 HD22 ASN 87 2HD2 ASN 87 -4.607 -6.248 -0.863 695 H LYS 88 H LYS 88 -2.004 -7.539 4.930 696 HA LYS 88 HA LYS 88 0.873 -8.193 4.789 697 HB2 LYS 88 2HB LYS 88 -0.860 -6.943 6.877 698 HB3 LYS 88 3HB LYS 88 0.243 -8.155 7.508 699 HG2 LYS 88 2HG LYS 88 1.137 -5.851 7.638 700 HG3 LYS 88 3HG LYS 88 2.161 -6.935 6.692 701 HD2 LYS 88 2HD LYS 88 1.358 -5.970 4.609 702 HD3 LYS 88 3HD LYS 88 0.161 -4.995 5.465 703 HE2 LYS 88 2HE LYS 88 2.119 -3.657 4.778 704 HE3 LYS 88 3HE LYS 88 1.950 -3.705 6.534 705 HZ1 LYS 88 3HZ LYS 88 3.807 -5.398 4.953 706 HZ2 LYS 88 1HZ LYS 88 3.679 -5.364 6.634 707 HZ3 LYS 88 2HZ LYS 88 4.241 -4.007 5.805 708 H ASP 89 H ASP 89 1.628 -9.989 5.935 709 HA ASP 89 HA ASP 89 0.166 -12.422 5.752 710 HB2 ASP 89 2HB ASP 89 2.643 -12.158 5.496 711 HB3 ASP 89 3HB ASP 89 2.768 -11.740 7.199 712 H ARG 90 H ARG 90 -0.692 -13.668 7.461 713 HA ARG 90 HA ARG 90 -2.060 -12.285 9.512 714 HB2 ARG 90 2HB ARG 90 -2.964 -14.433 10.214 715 HB3 ARG 90 3HB ARG 90 -2.974 -14.318 8.467 716 HG2 ARG 90 2HG ARG 90 -0.864 -15.857 10.011 717 HG3 ARG 90 3HG ARG 90 -2.361 -16.584 9.437 718 HD2 ARG 90 2HD ARG 90 -0.069 -15.469 7.798 719 HD3 ARG 90 3HD ARG 90 -0.673 -17.132 7.824 720 HE ARG 90 HE ARG 90 -2.826 -15.987 6.880 721 HH11 ARG 90 1HH1 ARG 90 0.490 -15.205 5.994 722 HH12 ARG 90 2HH1 ARG 90 0.051 -14.633 4.421 723 HH21 ARG 90 1HH2 ARG 90 -3.382 -15.126 4.846 724 HH22 ARG 90 2HH2 ARG 90 -2.131 -14.582 3.767 725 H MET 91 H MET 91 1.045 -13.834 9.563 726 HA MET 91 HA MET 91 1.241 -13.962 12.480 727 HB2 MET 91 2HB MET 91 3.308 -14.570 10.326 728 HB3 MET 91 3HB MET 91 3.500 -14.891 12.044 729 HG2 MET 91 2HG MET 91 1.688 -16.536 11.961 730 HG3 MET 91 3HG MET 91 1.425 -16.176 10.253 731 HE1 MET 91 3HE MET 91 4.696 -17.602 8.592 732 HE2 MET 91 1HE MET 91 4.365 -15.928 9.040 733 HE3 MET 91 2HE MET 91 3.104 -16.911 8.290 734 H VAL 92 H VAL 92 1.649 -11.566 10.123 735 HA VAL 92 HA VAL 92 3.748 -10.130 11.637 736 HB VAL 92 HB VAL 92 2.654 -9.463 8.857 737 HG11 VAL 92 1HG1 VAL 92 5.106 -8.402 10.324 738 HG12 VAL 92 2HG1 VAL 92 3.611 -7.509 10.037 739 HG13 VAL 92 3HG1 VAL 92 4.628 -7.986 8.677 740 HG21 VAL 92 3HG2 VAL 92 3.822 -11.628 8.808 741 HG22 VAL 92 1HG2 VAL 92 5.229 -10.914 9.601 742 HG23 VAL 92 2HG2 VAL 92 4.776 -10.402 7.973 743 H HIS 93 H HIS 93 3.309 -8.182 12.603 744 HA HIS 93 HA HIS 93 0.567 -7.723 13.397 745 HB2 HIS 93 2HB HIS 93 3.099 -6.215 14.185 746 HB3 HIS 93 3HB HIS 93 1.555 -6.177 15.034 747 HD1 HIS 93 HD1 HIS 93 4.479 -7.170 16.081 748 HD2 HIS 93 HD2 HIS 93 1.182 -9.523 15.141 749 HE1 HIS 93 HE1 HIS 93 4.798 -9.324 17.338 750 HE2 HIS 93 HE2 HIS 93 2.800 -10.724 16.755 751 H TRP 94 H TRP 94 -0.706 -5.926 12.971 752 HA TRP 94 HA TRP 94 -0.099 -4.488 10.534 753 HB2 TRP 94 2HB TRP 94 -2.551 -5.165 12.048 754 HB3 TRP 94 3HB TRP 94 -2.603 -3.520 11.423 755 HD1 TRP 94 HD1 TRP 94 -3.497 -6.892 10.353 756 HE1 TRP 94 HE1 TRP 94 -3.721 -7.010 7.791 757 HE3 TRP 94 HE3 TRP 94 -1.162 -2.526 9.140 758 HZ2 TRP 94 HZ2 TRP 94 -3.000 -5.439 5.559 759 HZ3 TRP 94 HZ3 TRP 94 -0.959 -1.906 6.776 760 HH2 TRP 94 HH2 TRP 94 -1.864 -3.347 5.033 761 H ASN 95 H ASN 95 -0.889 -3.481 13.880 762 HA ASN 95 HA ASN 95 -0.873 -0.704 13.420 763 HB2 ASN 95 2HB ASN 95 -0.526 -2.297 15.991 764 HB3 ASN 95 3HB ASN 95 -0.616 -0.539 15.977 765 HD21 ASN 95 1HD2 ASN 95 -2.449 -2.574 17.159 766 HD22 ASN 95 2HD2 ASN 95 -4.000 -2.218 16.489 767 H SER 96 H SER 96 1.709 -2.829 13.602 768 HA SER 96 HA SER 96 3.760 -1.113 14.690 769 HB2 SER 96 2HB SER 96 3.757 -3.682 14.755 770 HB3 SER 96 3HB SER 96 4.113 -3.655 13.032 771 HG SER 96 HG SER 96 5.952 -2.214 13.750 772 H ILE 97 H ILE 97 2.598 -2.074 11.515 773 HA ILE 97 HA ILE 97 4.844 -0.846 10.090 774 HB ILE 97 HB ILE 97 2.526 -2.412 8.864 775 HG12 ILE 97 2HG1 ILE 97 5.173 -3.559 9.873 776 HG13 ILE 97 3HG1 ILE 97 3.648 -3.702 10.738 777 HG21 ILE 97 1HG2 ILE 97 4.197 -2.923 7.080 778 HG22 ILE 97 2HG2 ILE 97 5.387 -1.921 7.915 779 HG23 ILE 97 3HG2 ILE 97 3.931 -1.185 7.245 780 HD11 ILE 97 3HD1 ILE 97 2.714 -4.966 8.879 781 HD12 ILE 97 1HD1 ILE 97 4.167 -5.712 9.540 782 HD13 ILE 97 2HD1 ILE 97 4.251 -4.829 8.018 783 H LYS 98 H LYS 98 1.581 -0.040 10.896 784 HA LYS 98 HA LYS 98 0.620 1.377 8.749 785 HB2 LYS 98 2HB LYS 98 0.260 2.285 11.626 786 HB3 LYS 98 3HB LYS 98 -0.710 2.796 10.253 787 HG2 LYS 98 2HG LYS 98 -1.354 0.331 9.976 788 HG3 LYS 98 3HG LYS 98 -0.636 0.077 11.567 789 HD2 LYS 98 2HD LYS 98 -3.046 1.781 10.850 790 HD3 LYS 98 3HD LYS 98 -2.989 0.390 11.931 791 HE2 LYS 98 2HE LYS 98 -1.723 3.107 12.457 792 HE3 LYS 98 3HE LYS 98 -3.202 2.502 13.190 793 HZ1 LYS 98 3HZ LYS 98 -1.292 2.304 14.649 794 HZ2 LYS 98 1HZ LYS 98 -0.514 1.301 13.533 795 HZ3 LYS 98 2HZ LYS 98 -1.945 0.791 14.279 796 HA PRO 99 HA PRO 99 3.039 5.519 10.162 797 HB2 PRO 99 2HB PRO 99 5.588 4.949 11.204 798 HB3 PRO 99 3HB PRO 99 4.177 5.409 12.176 799 HG2 PRO 99 2HG PRO 99 5.231 2.653 11.586 800 HG3 PRO 99 3HG PRO 99 4.672 3.334 13.132 801 HD2 PRO 99 2HD PRO 99 3.070 1.732 11.745 802 HD3 PRO 99 3HD PRO 99 2.401 3.200 12.513 803 H GLU 100 H GLU 100 4.835 2.581 9.219 804 HA GLU 100 HA GLU 100 6.693 3.794 7.488 805 HB2 GLU 100 2HB GLU 100 5.667 0.928 7.246 806 HB3 GLU 100 3HB GLU 100 7.218 1.555 6.701 807 HG2 GLU 100 2HG GLU 100 6.300 1.109 9.546 808 HG3 GLU 100 3HG GLU 100 7.601 0.283 8.694 809 H ILE 101 H ILE 101 3.612 2.156 6.868 810 HA ILE 101 HA ILE 101 3.559 2.360 4.067 811 HB ILE 101 HB ILE 101 1.223 2.138 6.026 812 HG12 ILE 101 2HG1 ILE 101 2.700 -0.059 4.484 813 HG13 ILE 101 3HG1 ILE 101 2.926 0.285 6.195 814 HG21 ILE 101 1HG2 ILE 101 -0.084 1.247 4.115 815 HG22 ILE 101 2HG2 ILE 101 1.274 1.560 3.035 816 HG23 ILE 101 3HG2 ILE 101 0.441 2.907 3.813 817 HD11 ILE 101 3HD1 ILE 101 0.419 -0.730 4.876 818 HD12 ILE 101 1HD1 ILE 101 0.554 -0.285 6.578 819 HD13 ILE 101 2HD1 ILE 101 1.510 -1.620 5.937 820 H ILE 102 H ILE 102 1.903 4.347 6.548 821 HA ILE 102 HA ILE 102 0.634 6.191 4.880 822 HB ILE 102 HB ILE 102 1.639 6.616 7.735 823 HG12 ILE 102 2HG1 ILE 102 -1.162 5.876 6.735 824 HG13 ILE 102 3HG1 ILE 102 -0.008 4.728 7.403 825 HG21 ILE 102 1HG2 ILE 102 1.225 8.810 6.664 826 HG22 ILE 102 2HG2 ILE 102 0.016 8.485 7.904 827 HG23 ILE 102 3HG2 ILE 102 -0.398 8.291 6.199 828 HD11 ILE 102 3HD1 ILE 102 -1.674 5.329 9.038 829 HD12 ILE 102 1HD1 ILE 102 -1.268 7.038 8.873 830 HD13 ILE 102 2HD1 ILE 102 -0.089 5.909 9.548 831 H ASP 103 H ASP 103 3.931 6.212 6.196 832 HA ASP 103 HA ASP 103 4.700 8.828 5.387 833 HB2 ASP 103 2HB ASP 103 5.927 7.557 7.131 834 HB3 ASP 103 3HB ASP 103 6.460 6.389 5.925 835 H LEU 104 H LEU 104 5.088 5.625 3.835 836 HA LEU 104 HA LEU 104 6.501 6.464 1.533 837 HB2 LEU 104 2HB LEU 104 4.660 4.062 1.889 838 HB3 LEU 104 3HB LEU 104 5.789 4.276 0.557 839 HG LEU 104 HG LEU 104 6.567 3.973 3.486 840 HD11 LEU 104 1HD1 LEU 104 6.843 1.967 1.231 841 HD12 LEU 104 2HD1 LEU 104 5.717 1.866 2.586 842 HD13 LEU 104 3HD1 LEU 104 7.451 1.766 2.878 843 HD21 LEU 104 3HD2 LEU 104 8.351 4.182 1.044 844 HD22 LEU 104 1HD2 LEU 104 8.895 3.832 2.689 845 HD23 LEU 104 2HD2 LEU 104 8.169 5.392 2.315 846 H LEU 105 H LEU 105 3.034 6.149 2.194 847 HA LEU 105 HA LEU 105 2.027 6.882 -0.349 848 HB2 LEU 105 2HB LEU 105 0.863 6.860 2.443 849 HB3 LEU 105 3HB LEU 105 -0.019 7.693 1.175 850 HG LEU 105 HG LEU 105 -0.213 5.604 -0.120 851 HD11 LEU 105 1HD1 LEU 105 1.235 4.215 2.151 852 HD12 LEU 105 2HD1 LEU 105 1.865 4.483 0.527 853 HD13 LEU 105 3HD1 LEU 105 0.475 3.429 0.766 854 HD21 LEU 105 3HD2 LEU 105 -1.984 6.151 1.482 855 HD22 LEU 105 1HD2 LEU 105 -1.131 5.273 2.755 856 HD23 LEU 105 2HD2 LEU 105 -1.777 4.406 1.359 857 H THR 106 H THR 106 3.231 8.763 2.378 858 HA THR 106 HA THR 106 2.279 11.318 1.481 859 HB THR 106 HB THR 106 4.390 10.542 3.552 860 HG1 THR 106 HG1 THR 106 1.954 10.062 3.735 861 HG21 THR 106 3HG2 THR 106 4.744 12.890 2.828 862 HG22 THR 106 1HG2 THR 106 4.123 12.811 4.479 863 HG23 THR 106 2HG2 THR 106 3.045 13.243 3.151 864 H LYS 107 H LYS 107 5.210 9.336 1.018 865 HA LYS 107 HA LYS 107 6.909 11.298 -0.114 866 HB2 LYS 107 2HB LYS 107 6.862 8.303 -0.721 867 HB3 LYS 107 3HB LYS 107 8.167 9.410 -1.126 868 HG2 LYS 107 2HG LYS 107 8.473 9.829 1.349 869 HG3 LYS 107 3HG LYS 107 7.296 8.549 1.640 870 HD2 LYS 107 2HD LYS 107 9.515 7.597 1.846 871 HD3 LYS 107 3HD LYS 107 8.772 6.958 0.379 872 HE2 LYS 107 2HE LYS 107 11.134 7.561 -0.004 873 HE3 LYS 107 3HE LYS 107 10.064 8.566 -0.983 874 HZ1 LYS 107 3HZ LYS 107 11.841 9.843 0.085 875 HZ2 LYS 107 1HZ LYS 107 11.271 9.374 1.607 876 HZ3 LYS 107 2HZ LYS 107 10.315 10.349 0.610 877 H GLN 108 H GLN 108 4.817 8.832 -1.672 878 HA GLN 108 HA GLN 108 5.236 9.538 -4.353 879 HB2 GLN 108 2HB GLN 108 4.167 7.422 -3.743 880 HB3 GLN 108 3HB GLN 108 2.781 8.277 -3.062 881 HG2 GLN 108 2HG GLN 108 2.280 9.170 -5.361 882 HG3 GLN 108 3HG GLN 108 3.587 8.167 -5.991 883 HE21 GLN 108 1HE2 GLN 108 0.377 8.161 -4.619 884 HE22 GLN 108 2HE2 GLN 108 0.014 6.523 -5.018 885 H LEU 109 H LEU 109 2.777 10.648 -2.068 886 HA LEU 109 HA LEU 109 1.385 12.295 -3.970 887 HB2 LEU 109 2HB LEU 109 1.156 12.019 -0.951 888 HB3 LEU 109 3HB LEU 109 0.090 13.016 -1.928 889 HG LEU 109 HG LEU 109 0.357 9.988 -2.187 890 HD11 LEU 109 1HD1 LEU 109 -1.906 9.858 -1.227 891 HD12 LEU 109 2HD1 LEU 109 -1.909 11.605 -0.978 892 HD13 LEU 109 3HD1 LEU 109 -0.769 10.591 -0.095 893 HD21 LEU 109 3HD2 LEU 109 -0.188 11.020 -4.327 894 HD22 LEU 109 1HD2 LEU 109 -1.531 11.905 -3.588 895 HD23 LEU 109 2HD2 LEU 109 -1.577 10.140 -3.698 896 H ALA 110 H ALA 110 4.142 12.753 -1.907 897 HA ALA 110 HA ALA 110 4.094 15.639 -1.871 898 HB1 ALA 110 3HB ALA 110 5.359 14.376 -0.174 899 HB2 ALA 110 1HB ALA 110 6.418 15.473 -1.064 900 HB3 ALA 110 2HB ALA 110 6.428 13.743 -1.425 901 H TYR 111 H TYR 111 5.371 13.145 -4.029 902 HA TYR 111 HA TYR 111 6.608 14.943 -5.900 903 HB2 TYR 111 2HB TYR 111 5.443 12.170 -6.421 904 HB3 TYR 111 3HB TYR 111 6.558 13.038 -7.472 905 HD1 TYR 111 HD2 TYR 111 8.696 13.977 -5.778 906 HD2 TYR 111 HD1 TYR 111 6.534 10.295 -5.500 907 HE1 TYR 111 HE2 TYR 111 10.599 12.936 -4.621 908 HE2 TYR 111 HE1 TYR 111 8.443 9.266 -4.345 909 HH TYR 111 HH TYR 111 10.811 9.571 -4.085 910 H GLY 112 H GLY 112 3.350 13.999 -5.183 911 HA2 GLY 112 2HA GLY 112 1.287 14.583 -6.023 912 HA3 GLY 112 3HA GLY 112 2.091 15.742 -7.080 913 H GLU 113 H GLU 113 2.792 12.314 -6.899 914 HA GLU 113 HA GLU 113 2.542 12.078 -9.807 915 HB2 GLU 113 2HB GLU 113 4.647 11.433 -8.694 916 HB3 GLU 113 3HB GLU 113 3.781 10.278 -7.687 917 HG2 GLU 113 2HG GLU 113 3.107 9.094 -9.869 918 HG3 GLU 113 3HG GLU 113 4.292 10.121 -10.675 919 H ASP 114 H ASP 114 1.084 10.733 -10.804 920 HA ASP 114 HA ASP 114 -0.931 9.283 -9.323 921 HB2 ASP 114 2HB ASP 114 -0.285 9.320 -12.309 922 HB3 ASP 114 3HB ASP 114 -1.661 8.479 -11.595 923 H VAL 115 H VAL 115 -0.628 7.363 -8.482 924 HA VAL 115 HA VAL 115 1.696 5.929 -8.288 925 HB VAL 115 HB VAL 115 -0.038 5.680 -6.641 926 HG11 VAL 115 1HG1 VAL 115 -1.854 4.456 -8.749 927 HG12 VAL 115 2HG1 VAL 115 -2.006 6.078 -8.072 928 HG13 VAL 115 3HG1 VAL 115 -2.239 4.669 -7.038 929 HG21 VAL 115 3HG2 VAL 115 1.402 3.698 -6.902 930 HG22 VAL 115 1HG2 VAL 115 0.264 3.004 -8.057 931 HG23 VAL 115 2HG2 VAL 115 -0.213 3.223 -6.373 932 H ILE 116 H ILE 116 -1.075 5.090 -10.344 933 HA ILE 116 HA ILE 116 0.528 4.259 -12.555 934 HB ILE 116 HB ILE 116 -0.872 1.975 -12.755 935 HG12 ILE 116 2HG1 ILE 116 -1.007 0.748 -10.520 936 HG13 ILE 116 3HG1 ILE 116 -0.743 2.285 -9.711 937 HG21 ILE 116 1HG2 ILE 116 1.644 2.115 -11.064 938 HG22 ILE 116 2HG2 ILE 116 1.566 2.058 -12.824 939 HG23 ILE 116 3HG2 ILE 116 1.026 0.673 -11.878 940 HD11 ILE 116 3HD1 ILE 116 -3.080 1.603 -9.697 941 HD12 ILE 116 1HD1 ILE 116 -3.106 1.594 -11.460 942 HD13 ILE 116 2HD1 ILE 116 -2.869 3.109 -10.586 943 H SER 117 H SER 117 -0.867 3.969 -14.484 944 HA SER 117 HA SER 117 -3.657 4.873 -14.103 945 HB2 SER 117 2HB SER 117 -2.011 4.760 -16.676 946 HB3 SER 117 3HB SER 117 -3.684 5.303 -16.550 947 HG SER 117 HG SER 117 -1.621 6.488 -15.018 948 H LYS 118 H LYS 118 -2.310 2.768 -16.666 949 HA LYS 118 HA LYS 118 -4.204 0.650 -15.828 950 HB2 LYS 118 2HB LYS 118 -4.575 0.230 -18.298 951 HB3 LYS 118 3HB LYS 118 -5.208 1.760 -17.702 952 HG2 LYS 118 2HG LYS 118 -3.221 2.926 -18.606 953 HG3 LYS 118 3HG LYS 118 -2.626 1.398 -19.253 954 HD2 LYS 118 2HD LYS 118 -5.244 2.735 -20.036 955 HD3 LYS 118 3HD LYS 118 -3.753 2.806 -20.975 956 HE2 LYS 118 2HE LYS 118 -3.833 0.310 -21.214 957 HE3 LYS 118 3HE LYS 118 -5.377 0.311 -20.355 958 HZ1 LYS 118 3HZ LYS 118 -5.798 0.254 -22.685 959 HZ2 LYS 118 1HZ LYS 118 -4.789 1.580 -22.969 960 HZ3 LYS 118 2HZ LYS 118 -6.241 1.790 -22.129 961 H GLU 119 H GLU 119 -1.088 1.421 -17.309 962 HA GLU 119 HA GLU 119 -0.388 -1.391 -17.649 963 HB2 GLU 119 2HB GLU 119 1.304 1.087 -18.217 964 HB3 GLU 119 3HB GLU 119 1.642 -0.557 -18.749 965 HG2 GLU 119 2HG GLU 119 -0.686 1.169 -19.636 966 HG3 GLU 119 3HG GLU 119 0.756 0.811 -20.580 Start of MODEL 5 1 H1 MET 1 1H MET 1 28.753 50.108 -1.501 2 H2 MET 1 2H MET 1 29.146 49.707 0.092 3 H3 MET 1 3H MET 1 27.975 50.884 -0.216 4 HA MET 1 HA MET 1 26.996 48.794 0.481 5 HB2 MET 1 2HB MET 1 26.442 49.645 -2.395 6 HB3 MET 1 3HB MET 1 25.435 48.492 -1.528 7 HG2 MET 1 2HG MET 1 24.424 50.698 -1.488 8 HG3 MET 1 3HG MET 1 24.896 50.216 0.142 9 HE1 MET 1 3HE MET 1 25.403 54.121 0.137 10 HE2 MET 1 1HE MET 1 24.653 52.770 0.986 11 HE3 MET 1 2HE MET 1 24.127 53.184 -0.646 12 H GLY 2 H GLY 2 28.625 47.217 0.818 13 HA2 GLY 2 2HA GLY 2 29.108 45.324 -1.434 14 HA3 GLY 2 3HA GLY 2 30.187 45.570 -0.067 15 H HIS 3 H HIS 3 26.782 45.529 0.561 16 HA HIS 3 HA HIS 3 26.928 43.089 2.109 17 HB2 HIS 3 2HB HIS 3 24.507 44.811 1.377 18 HB3 HIS 3 3HB HIS 3 24.459 43.441 2.478 19 HD1 HIS 3 HD1 HIS 3 24.562 44.091 4.852 20 HD2 HIS 3 HD2 HIS 3 26.424 46.904 2.429 21 HE1 HIS 3 HE1 HIS 3 25.236 45.954 6.386 22 HE2 HIS 3 HE2 HIS 3 26.453 47.592 4.915 23 H HIS 4 H HIS 4 27.546 41.554 0.562 24 HA HIS 4 HA HIS 4 26.067 41.055 -1.846 25 HB2 HIS 4 2HB HIS 4 28.474 40.430 -1.610 26 HB3 HIS 4 3HB HIS 4 28.042 39.235 -0.390 27 HD1 HIS 4 HD1 HIS 4 27.748 39.924 -4.071 28 HD2 HIS 4 HD2 HIS 4 26.984 36.835 -1.398 29 HE1 HIS 4 HE1 HIS 4 27.147 37.943 -5.483 30 HE2 HIS 4 HE2 HIS 4 26.869 36.050 -3.852 31 H HIS 5 H HIS 5 24.060 40.405 -1.722 32 HA HIS 5 HA HIS 5 22.902 39.121 0.575 33 HB2 HIS 5 2HB HIS 5 21.661 39.778 -2.138 34 HB3 HIS 5 3HB HIS 5 20.775 39.357 -0.670 35 HD1 HIS 5 HD1 HIS 5 21.893 42.208 -2.539 36 HD2 HIS 5 HD2 HIS 5 21.362 41.386 1.500 37 HE1 HIS 5 HE1 HIS 5 21.745 44.444 -1.416 38 HE2 HIS 5 HE2 HIS 5 21.348 43.921 1.015 39 H HIS 6 H HIS 6 22.715 36.998 0.908 40 HA HIS 6 HA HIS 6 22.371 35.114 -1.299 41 HB2 HIS 6 2HB HIS 6 24.079 33.535 -0.286 42 HB3 HIS 6 3HB HIS 6 24.752 34.963 -1.050 43 HD1 HIS 6 HD1 HIS 6 25.939 36.694 0.501 44 HD2 HIS 6 HD2 HIS 6 24.548 33.323 2.492 45 HE1 HIS 6 HE1 HIS 6 27.080 36.716 2.734 46 HE2 HIS 6 HE2 HIS 6 26.426 34.532 3.784 47 H HIS 7 H HIS 7 20.241 35.452 -0.372 48 HA HIS 7 HA HIS 7 19.708 33.911 2.110 49 HB2 HIS 7 2HB HIS 7 19.099 36.337 2.234 50 HB3 HIS 7 3HB HIS 7 18.012 36.132 0.863 51 HD1 HIS 7 HD1 HIS 7 18.370 35.221 4.514 52 HD2 HIS 7 HD2 HIS 7 15.507 35.057 1.513 53 HE1 HIS 7 HE1 HIS 7 16.223 34.628 5.659 54 HE2 HIS 7 HE2 HIS 7 14.489 34.771 3.857 55 H HIS 8 H HIS 8 19.295 31.891 1.406 56 HA HIS 8 HA HIS 8 16.820 31.362 0.023 57 HB2 HIS 8 2HB HIS 8 17.848 29.895 -1.766 58 HB3 HIS 8 3HB HIS 8 18.176 31.606 -1.985 59 HD1 HIS 8 HD1 HIS 8 20.612 32.362 -1.893 60 HD2 HIS 8 HD2 HIS 8 20.140 28.304 -1.128 61 HE1 HIS 8 HE1 HIS 8 22.921 31.391 -1.960 62 HE2 HIS 8 HE2 HIS 8 22.611 28.933 -1.540 63 H SER 9 H SER 9 17.614 30.900 2.632 64 HA SER 9 HA SER 9 17.698 27.923 2.743 65 HB2 SER 9 2HB SER 9 18.545 29.909 4.908 66 HB3 SER 9 3HB SER 9 18.622 28.146 5.018 67 HG SER 9 HG SER 9 19.973 28.357 3.024 68 H HIS 10 H HIS 10 15.569 27.490 2.607 69 HA HIS 10 HA HIS 10 13.956 27.719 4.939 70 HB2 HIS 10 2HB HIS 10 12.016 28.945 3.973 71 HB3 HIS 10 3HB HIS 10 13.442 29.976 3.999 72 HD1 HIS 10 HD1 HIS 10 10.866 28.653 1.760 73 HD2 HIS 10 HD2 HIS 10 14.655 30.309 1.344 74 HE1 HIS 10 HE1 HIS 10 11.069 29.268 -0.660 75 HE2 HIS 10 HE2 HIS 10 13.408 30.138 -0.909 76 H MET 11 H MET 11 12.491 26.042 4.981 77 HA MET 11 HA MET 11 11.731 24.690 2.462 78 HB2 MET 11 2HB MET 11 13.542 23.337 3.482 79 HB3 MET 11 3HB MET 11 12.662 23.265 5.006 80 HG2 MET 11 2HG MET 11 12.445 21.183 3.707 81 HG3 MET 11 3HG MET 11 10.882 21.963 3.944 82 HE1 MET 11 3HE MET 11 13.671 20.952 1.368 83 HE2 MET 11 1HE MET 11 13.827 22.712 1.346 84 HE3 MET 11 2HE MET 11 13.195 21.862 -0.064 85 H ASN 12 H ASN 12 9.732 25.535 2.455 86 HA ASN 12 HA ASN 12 8.017 25.766 4.756 87 HB2 ASN 12 2HB ASN 12 7.382 26.074 1.778 88 HB3 ASN 12 3HB ASN 12 6.287 26.500 3.094 89 HD21 ASN 12 1HD2 ASN 12 6.732 28.351 4.346 90 HD22 ASN 12 2HD2 ASN 12 7.889 29.536 3.860 91 H SER 13 H SER 13 8.711 23.284 2.513 92 HA SER 13 HA SER 13 6.220 21.835 2.626 93 HB2 SER 13 2HB SER 13 8.958 20.985 1.578 94 HB3 SER 13 3HB SER 13 7.419 20.202 1.220 95 HG SER 13 HG SER 13 7.973 21.565 -0.471 96 H GLN 14 H GLN 14 7.463 22.279 5.291 97 HA GLN 14 HA GLN 14 8.283 19.592 6.155 98 HB2 GLN 14 2HB GLN 14 8.260 22.288 7.581 99 HB3 GLN 14 3HB GLN 14 8.664 20.778 8.390 100 HG2 GLN 14 2HG GLN 14 10.167 22.057 6.091 101 HG3 GLN 14 3HG GLN 14 10.697 21.948 7.771 102 HE21 GLN 14 1HE2 GLN 14 11.284 19.842 8.585 103 HE22 GLN 14 2HE2 GLN 14 11.775 18.584 7.508 104 H ARG 15 H ARG 15 5.501 20.256 5.294 105 HA ARG 15 HA ARG 15 3.853 19.777 7.637 106 HB2 ARG 15 2HB ARG 15 3.231 19.707 4.644 107 HB3 ARG 15 3HB ARG 15 2.027 19.508 5.916 108 HG2 ARG 15 2HG ARG 15 2.461 21.801 6.709 109 HG3 ARG 15 3HG ARG 15 3.695 22.011 5.461 110 HD2 ARG 15 2HD ARG 15 1.996 21.746 3.709 111 HD3 ARG 15 3HD ARG 15 0.752 21.456 4.931 112 HE ARG 15 HE ARG 15 1.612 23.858 5.685 113 HH11 ARG 15 1HH1 ARG 15 0.825 22.699 2.445 114 HH12 ARG 15 2HH1 ARG 15 0.331 24.261 1.879 115 HH21 ARG 15 1HH2 ARG 15 0.922 25.891 4.923 116 HH22 ARG 15 2HH2 ARG 15 0.387 26.067 3.284 117 H LEU 16 H LEU 16 2.303 17.814 7.474 118 HA LEU 16 HA LEU 16 3.525 15.449 6.186 119 HB2 LEU 16 2HB LEU 16 3.146 14.017 8.042 120 HB3 LEU 16 3HB LEU 16 4.026 15.395 8.662 121 HG LEU 16 HG LEU 16 1.036 14.909 9.061 122 HD11 LEU 16 1HD1 LEU 16 2.349 13.222 10.249 123 HD12 LEU 16 2HD1 LEU 16 1.610 14.341 11.392 124 HD13 LEU 16 3HD1 LEU 16 3.328 14.480 11.011 125 HD21 LEU 16 3HD2 LEU 16 1.104 16.708 10.725 126 HD22 LEU 16 1HD2 LEU 16 1.586 17.317 9.141 127 HD23 LEU 16 2HD2 LEU 16 2.809 17.004 10.376 128 H ILE 17 H ILE 17 2.112 14.358 4.983 129 HA ILE 17 HA ILE 17 -0.534 15.435 4.579 130 HB ILE 17 HB ILE 17 0.880 13.096 3.205 131 HG12 ILE 17 2HG1 ILE 17 0.516 16.012 2.357 132 HG13 ILE 17 3HG1 ILE 17 2.017 15.273 2.903 133 HG21 ILE 17 1HG2 ILE 17 -1.567 12.856 2.960 134 HG22 ILE 17 2HG2 ILE 17 -0.836 13.297 1.419 135 HG23 ILE 17 3HG2 ILE 17 -1.690 14.516 2.367 136 HD11 ILE 17 3HD1 ILE 17 2.022 13.835 0.930 137 HD12 ILE 17 1HD1 ILE 17 2.006 15.548 0.522 138 HD13 ILE 17 2HD1 ILE 17 0.528 14.601 0.375 139 H HIS 18 H HIS 18 -2.235 14.808 5.685 140 HA HIS 18 HA HIS 18 -2.275 12.555 7.452 141 HB2 HIS 18 2HB HIS 18 -3.445 14.747 7.902 142 HB3 HIS 18 3HB HIS 18 -4.580 14.383 6.610 143 HD1 HIS 18 HD1 HIS 18 -3.987 13.877 10.178 144 HD2 HIS 18 HD2 HIS 18 -6.290 12.070 7.227 145 HE1 HIS 18 HE1 HIS 18 -5.713 12.527 11.404 146 HE2 HIS 18 HE2 HIS 18 -7.182 11.577 9.596 147 H ILE 19 H ILE 19 -2.827 10.539 6.947 148 HA ILE 19 HA ILE 19 -4.466 9.933 4.551 149 HB ILE 19 HB ILE 19 -2.262 8.200 5.819 150 HG12 ILE 19 2HG1 ILE 19 -1.271 10.053 4.502 151 HG13 ILE 19 3HG1 ILE 19 -0.989 8.513 3.702 152 HG21 ILE 19 1HG2 ILE 19 -2.678 6.632 3.932 153 HG22 ILE 19 2HG2 ILE 19 -4.035 7.634 3.407 154 HG23 ILE 19 3HG2 ILE 19 -4.092 6.819 4.971 155 HD11 ILE 19 3HD1 ILE 19 -1.523 10.232 2.087 156 HD12 ILE 19 1HD1 ILE 19 -3.035 10.597 2.915 157 HD13 ILE 19 2HD1 ILE 19 -2.820 9.037 2.117 158 H LYS 20 H LYS 20 -6.398 8.915 5.128 159 HA LYS 20 HA LYS 20 -6.826 8.572 8.023 160 HB2 LYS 20 2HB LYS 20 -8.412 10.086 6.905 161 HB3 LYS 20 3HB LYS 20 -8.848 8.834 5.744 162 HG2 LYS 20 2HG LYS 20 -9.935 7.512 7.443 163 HG3 LYS 20 3HG LYS 20 -9.265 8.511 8.737 164 HD2 LYS 20 2HD LYS 20 -11.657 9.003 8.375 165 HD3 LYS 20 3HD LYS 20 -10.655 10.413 8.028 166 HE2 LYS 20 2HE LYS 20 -10.831 9.904 5.591 167 HE3 LYS 20 3HE LYS 20 -11.884 8.536 5.972 168 HZ1 LYS 20 3HZ LYS 20 -13.154 10.506 5.349 169 HZ2 LYS 20 1HZ LYS 20 -12.465 11.384 6.618 170 HZ3 LYS 20 2HZ LYS 20 -13.475 10.071 6.947 171 H THR 21 H THR 21 -6.903 6.620 8.819 172 HA THR 21 HA THR 21 -6.738 4.284 7.044 173 HB THR 21 HB THR 21 -6.113 4.548 10.029 174 HG1 THR 21 HG1 THR 21 -4.692 5.139 7.775 175 HG21 THR 21 3HG2 THR 21 -5.015 2.341 9.773 176 HG22 THR 21 1HG2 THR 21 -5.568 2.254 8.100 177 HG23 THR 21 2HG2 THR 21 -6.740 2.230 9.421 178 H LEU 22 H LEU 22 -8.624 3.337 6.659 179 HA LEU 22 HA LEU 22 -10.820 3.353 8.643 180 HB2 LEU 22 2HB LEU 22 -10.868 2.862 5.629 181 HB3 LEU 22 3HB LEU 22 -12.283 2.815 6.672 182 HG LEU 22 HG LEU 22 -10.571 5.281 6.133 183 HD11 LEU 22 1HD1 LEU 22 -13.342 4.594 5.097 184 HD12 LEU 22 2HD1 LEU 22 -11.847 4.635 4.156 185 HD13 LEU 22 3HD1 LEU 22 -12.485 6.121 4.852 186 HD21 LEU 22 3HD2 LEU 22 -13.147 5.040 7.725 187 HD22 LEU 22 1HD2 LEU 22 -12.322 6.546 7.312 188 HD23 LEU 22 2HD2 LEU 22 -11.539 5.378 8.373 189 H THR 23 H THR 23 -11.606 1.467 9.412 190 HA THR 23 HA THR 23 -10.096 -0.954 9.171 191 HB THR 23 HB THR 23 -11.954 -1.867 10.693 192 HG1 THR 23 HG1 THR 23 -13.706 -0.710 10.866 193 HG21 THR 23 3HG2 THR 23 -9.886 -0.932 11.671 194 HG22 THR 23 1HG2 THR 23 -11.281 -0.524 12.668 195 HG23 THR 23 2HG2 THR 23 -10.573 0.694 11.603 196 H THR 24 H THR 24 -10.745 -2.934 8.270 197 HA THR 24 HA THR 24 -12.747 -2.789 6.088 198 HB THR 24 HB THR 24 -11.145 -4.593 5.051 199 HG1 THR 24 HG1 THR 24 -9.259 -4.903 5.997 200 HG21 THR 24 3HG2 THR 24 -10.132 -1.736 5.293 201 HG22 THR 24 1HG2 THR 24 -11.312 -2.315 4.116 202 HG23 THR 24 2HG2 THR 24 -9.648 -2.902 4.057 203 HA PRO 25 HA PRO 25 -14.612 -6.594 7.791 204 HB2 PRO 25 2HB PRO 25 -15.012 -8.207 5.578 205 HB3 PRO 25 3HB PRO 25 -16.009 -6.779 5.930 206 HG2 PRO 25 2HG PRO 25 -13.651 -7.016 4.082 207 HG3 PRO 25 3HG PRO 25 -15.234 -6.259 3.785 208 HD2 PRO 25 2HD PRO 25 -13.099 -4.763 4.413 209 HD3 PRO 25 3HD PRO 25 -14.707 -4.354 5.055 210 H ASN 26 H ASN 26 -11.535 -6.704 6.261 211 HA ASN 26 HA ASN 26 -10.941 -9.401 7.370 212 HB2 ASN 26 2HB ASN 26 -9.848 -8.158 4.795 213 HB3 ASN 26 3HB ASN 26 -9.278 -9.673 5.496 214 HD21 ASN 26 1HD2 ASN 26 -11.927 -8.113 3.823 215 HD22 ASN 26 2HD2 ASN 26 -12.752 -9.559 3.376 216 H GLU 27 H GLU 27 -9.233 -9.451 8.752 217 HA GLU 27 HA GLU 27 -7.721 -7.120 9.461 218 HB2 GLU 27 2HB GLU 27 -6.505 -8.584 11.014 219 HB3 GLU 27 3HB GLU 27 -8.239 -8.866 11.134 220 HG2 GLU 27 2HG GLU 27 -8.035 -10.936 9.846 221 HG3 GLU 27 3HG GLU 27 -6.321 -10.629 9.573 222 H ASN 28 H ASN 28 -7.266 -9.743 7.247 223 HA ASN 28 HA ASN 28 -4.472 -9.596 6.771 224 HB2 ASN 28 2HB ASN 28 -6.722 -10.486 4.910 225 HB3 ASN 28 3HB ASN 28 -5.009 -10.804 4.651 226 HD21 ASN 28 1HD2 ASN 28 -4.011 -12.438 5.832 227 HD22 ASN 28 2HD2 ASN 28 -4.888 -13.545 6.821 228 H ALA 29 H ALA 29 -7.073 -7.548 5.879 229 HA ALA 29 HA ALA 29 -5.388 -5.981 4.007 230 HB1 ALA 29 3HB ALA 29 -7.196 -7.108 2.789 231 HB2 ALA 29 1HB ALA 29 -7.463 -5.369 2.816 232 HB3 ALA 29 2HB ALA 29 -8.399 -6.419 3.884 233 H LEU 30 H LEU 30 -5.883 -3.625 4.020 234 HA LEU 30 HA LEU 30 -7.658 -2.526 6.013 235 HB2 LEU 30 2HB LEU 30 -5.561 -3.054 7.329 236 HB3 LEU 30 3HB LEU 30 -4.692 -1.915 6.319 237 HG LEU 30 HG LEU 30 -6.114 -0.065 7.212 238 HD11 LEU 30 1HD1 LEU 30 -7.573 -0.435 9.149 239 HD12 LEU 30 2HD1 LEU 30 -7.311 -2.177 9.038 240 HD13 LEU 30 3HD1 LEU 30 -8.151 -1.324 7.741 241 HD21 LEU 30 3HD2 LEU 30 -4.699 -1.733 9.332 242 HD22 LEU 30 1HD2 LEU 30 -5.092 -0.015 9.466 243 HD23 LEU 30 2HD2 LEU 30 -3.946 -0.562 8.247 244 H LYS 31 H LYS 31 -8.390 -0.634 5.363 245 HA LYS 31 HA LYS 31 -7.620 0.345 2.738 246 HB2 LYS 31 2HB LYS 31 -9.970 -0.104 3.310 247 HB3 LYS 31 3HB LYS 31 -9.903 1.048 4.637 248 HG2 LYS 31 2HG LYS 31 -9.696 2.909 3.077 249 HG3 LYS 31 3HG LYS 31 -9.599 1.796 1.701 250 HD2 LYS 31 2HD LYS 31 -11.894 0.990 2.189 251 HD3 LYS 31 3HD LYS 31 -11.988 2.077 3.580 252 HE2 LYS 31 2HE LYS 31 -11.898 4.020 2.126 253 HE3 LYS 31 3HE LYS 31 -11.627 2.996 0.709 254 HZ1 LYS 31 3HZ LYS 31 -14.065 2.950 2.412 255 HZ2 LYS 31 1HZ LYS 31 -13.799 2.009 1.033 256 HZ3 LYS 31 2HZ LYS 31 -13.941 3.688 0.901 257 H PHE 32 H PHE 32 -6.101 1.874 2.579 258 HA PHE 32 HA PHE 32 -5.887 4.081 4.541 259 HB2 PHE 32 2HB PHE 32 -3.884 2.970 2.510 260 HB3 PHE 32 3HB PHE 32 -3.639 4.489 3.374 261 HD1 PHE 32 HD2 PHE 32 -3.953 0.806 3.805 262 HD2 PHE 32 HD1 PHE 32 -2.941 4.517 5.675 263 HE1 PHE 32 HE2 PHE 32 -3.018 -0.413 5.726 264 HE2 PHE 32 HE1 PHE 32 -2.018 3.293 7.588 265 HZ PHE 32 HZ PHE 32 -2.055 0.829 7.620 266 H LEU 33 H LEU 33 -6.930 5.818 3.920 267 HA LEU 33 HA LEU 33 -7.774 6.118 1.102 268 HB2 LEU 33 2HB LEU 33 -9.539 5.771 2.832 269 HB3 LEU 33 3HB LEU 33 -8.961 7.176 3.714 270 HG LEU 33 HG LEU 33 -9.660 8.638 1.804 271 HD11 LEU 33 1HD1 LEU 33 -9.473 7.071 -0.035 272 HD12 LEU 33 2HD1 LEU 33 -11.093 7.756 0.030 273 HD13 LEU 33 3HD1 LEU 33 -10.810 6.109 0.603 274 HD21 LEU 33 3HD2 LEU 33 -11.893 6.889 2.904 275 HD22 LEU 33 1HD2 LEU 33 -12.082 8.501 2.205 276 HD23 LEU 33 2HD2 LEU 33 -11.182 8.294 3.704 277 H SER 34 H SER 34 -6.873 7.774 -0.019 278 HA SER 34 HA SER 34 -5.161 9.731 1.283 279 HB2 SER 34 2HB SER 34 -4.661 10.483 -1.068 280 HB3 SER 34 3HB SER 34 -4.378 8.760 -0.835 281 HG SER 34 HG SER 34 -6.905 9.124 -1.650 282 H THR 35 H THR 35 -6.175 11.336 2.283 283 HA THR 35 HA THR 35 -8.678 12.489 1.183 284 HB THR 35 HB THR 35 -9.056 13.247 3.580 285 HG1 THR 35 HG1 THR 35 -7.745 12.252 5.190 286 HG21 THR 35 3HG2 THR 35 -10.168 11.204 2.773 287 HG22 THR 35 1HG2 THR 35 -9.691 11.011 4.460 288 HG23 THR 35 2HG2 THR 35 -8.743 10.244 3.183 289 H ASP 36 H ASP 36 -5.788 13.392 3.079 290 HA ASP 36 HA ASP 36 -6.197 16.198 2.883 291 HB2 ASP 36 2HB ASP 36 -5.096 15.126 4.794 292 HB3 ASP 36 3HB ASP 36 -3.797 14.549 3.762 293 H GLY 37 H GLY 37 -6.028 17.211 1.002 294 HA2 GLY 37 2HA GLY 37 -4.966 18.390 -0.640 295 HA3 GLY 37 3HA GLY 37 -3.472 17.549 -0.273 296 H GLU 38 H GLU 38 -3.215 15.373 -1.145 297 HA GLU 38 HA GLU 38 -4.123 15.358 -3.950 298 HB2 GLU 38 2HB GLU 38 -1.755 14.002 -2.585 299 HB3 GLU 38 3HB GLU 38 -2.177 13.745 -4.271 300 HG2 GLU 38 2HG GLU 38 -0.355 15.308 -4.144 301 HG3 GLU 38 3HG GLU 38 -1.793 16.145 -4.728 302 H MET 39 H MET 39 -4.308 13.299 -5.006 303 HA MET 39 HA MET 39 -5.738 11.184 -3.487 304 HB2 MET 39 2HB MET 39 -7.283 12.745 -4.695 305 HB3 MET 39 3HB MET 39 -6.417 12.457 -6.191 306 HG2 MET 39 2HG MET 39 -7.210 10.140 -6.224 307 HG3 MET 39 3HG MET 39 -8.043 10.391 -4.682 308 HE1 MET 39 3HE MET 39 -9.443 9.405 -7.545 309 HE2 MET 39 1HE MET 39 -10.956 10.295 -7.436 310 HE3 MET 39 2HE MET 39 -10.308 9.486 -6.006 311 H LEU 40 H LEU 40 -5.435 9.015 -4.455 312 HA LEU 40 HA LEU 40 -2.697 8.649 -5.161 313 HB2 LEU 40 2HB LEU 40 -4.983 6.648 -5.081 314 HB3 LEU 40 3HB LEU 40 -3.291 6.205 -5.274 315 HG LEU 40 HG LEU 40 -4.505 7.561 -2.833 316 HD11 LEU 40 1HD1 LEU 40 -5.202 5.255 -3.016 317 HD12 LEU 40 2HD1 LEU 40 -4.048 5.426 -1.697 318 HD13 LEU 40 3HD1 LEU 40 -3.530 4.717 -3.234 319 HD21 LEU 40 3HD2 LEU 40 -2.195 8.309 -3.130 320 HD22 LEU 40 1HD2 LEU 40 -1.640 6.637 -3.269 321 HD23 LEU 40 2HD2 LEU 40 -2.317 7.227 -1.748 322 H GLN 41 H GLN 41 -5.678 8.042 -7.018 323 HA GLN 41 HA GLN 41 -4.166 8.015 -9.556 324 HB2 GLN 41 2HB GLN 41 -4.326 5.639 -8.626 325 HB3 GLN 41 3HB GLN 41 -6.075 5.761 -8.742 326 HG2 GLN 41 2HG GLN 41 -5.798 6.119 -11.230 327 HG3 GLN 41 3HG GLN 41 -4.083 5.779 -11.036 328 HE21 GLN 41 1HE2 GLN 41 -4.612 3.642 -9.002 329 HE22 GLN 41 2HE2 GLN 41 -5.210 2.298 -9.902 330 H THR 42 H THR 42 -5.638 8.147 -11.442 331 HA THR 42 HA THR 42 -7.810 9.967 -11.143 332 HB THR 42 HB THR 42 -7.066 8.262 -13.573 333 HG1 THR 42 HG1 THR 42 -5.560 9.732 -14.030 334 HG21 THR 42 3HG2 THR 42 -9.304 9.341 -13.757 335 HG22 THR 42 1HG2 THR 42 -8.150 10.040 -14.900 336 HG23 THR 42 2HG2 THR 42 -8.569 10.909 -13.424 337 H ARG 43 H ARG 43 -10.006 9.540 -10.930 338 HA ARG 43 HA ARG 43 -11.009 6.888 -10.526 339 HB2 ARG 43 2HB ARG 43 -11.934 8.898 -9.371 340 HB3 ARG 43 3HB ARG 43 -12.530 9.509 -10.910 341 HG2 ARG 43 2HG ARG 43 -14.120 7.665 -11.088 342 HG3 ARG 43 3HG ARG 43 -13.443 6.895 -9.651 343 HD2 ARG 43 2HD ARG 43 -14.802 9.611 -9.668 344 HD3 ARG 43 3HD ARG 43 -15.593 8.093 -9.218 345 HE ARG 43 HE ARG 43 -13.455 8.114 -7.583 346 HH11 ARG 43 1HH1 ARG 43 -15.859 10.622 -8.245 347 HH12 ARG 43 2HH1 ARG 43 -15.739 11.307 -6.656 348 HH21 ARG 43 1HH2 ARG 43 -13.320 8.999 -5.526 349 HH22 ARG 43 2HH2 ARG 43 -14.288 10.379 -5.110 350 H GLY 44 H GLY 44 -12.758 5.886 -11.813 351 HA2 GLY 44 2HA GLY 44 -13.759 5.248 -13.832 352 HA3 GLY 44 3HA GLY 44 -12.853 6.496 -14.691 353 H SER 45 H SER 45 -11.943 3.839 -12.524 354 HA SER 45 HA SER 45 -10.224 2.572 -14.512 355 HB2 SER 45 2HB SER 45 -8.205 2.792 -13.030 356 HB3 SER 45 3HB SER 45 -8.776 4.359 -13.596 357 HG SER 45 HG SER 45 -8.477 4.661 -11.470 358 H LYS 46 H LYS 46 -9.059 0.655 -13.389 359 HA LYS 46 HA LYS 46 -11.001 -0.818 -11.721 360 HB2 LYS 46 2HB LYS 46 -8.568 -1.797 -13.294 361 HB3 LYS 46 3HB LYS 46 -9.710 -2.832 -12.440 362 HG2 LYS 46 2HG LYS 46 -11.498 -2.229 -13.978 363 HG3 LYS 46 3HG LYS 46 -10.468 -1.027 -14.767 364 HD2 LYS 46 2HD LYS 46 -8.953 -2.851 -15.541 365 HD3 LYS 46 3HD LYS 46 -10.006 -4.043 -14.771 366 HE2 LYS 46 2HE LYS 46 -11.851 -3.404 -16.265 367 HE3 LYS 46 3HE LYS 46 -10.838 -2.164 -17.014 368 HZ1 LYS 46 3HZ LYS 46 -9.341 -3.923 -17.785 369 HZ2 LYS 46 1HZ LYS 46 -10.909 -4.167 -18.359 370 HZ3 LYS 46 2HZ LYS 46 -10.329 -5.097 -17.078 371 H SER 47 H SER 47 -10.121 -2.200 -9.990 372 HA SER 47 HA SER 47 -8.136 -0.862 -8.340 373 HB2 SER 47 2HB SER 47 -8.774 -2.713 -6.693 374 HB3 SER 47 3HB SER 47 -10.100 -1.663 -7.189 375 HG SER 47 HG SER 47 -11.002 -3.280 -8.262 376 H ILE 48 H ILE 48 -6.083 -1.177 -9.045 377 HA ILE 48 HA ILE 48 -5.223 -3.567 -10.429 378 HB ILE 48 HB ILE 48 -3.575 -1.155 -9.512 379 HG12 ILE 48 2HG1 ILE 48 -4.912 -1.708 -12.209 380 HG13 ILE 48 3HG1 ILE 48 -5.417 -0.499 -11.036 381 HG21 ILE 48 1HG2 ILE 48 -2.143 -3.114 -9.975 382 HG22 ILE 48 2HG2 ILE 48 -1.905 -1.865 -11.195 383 HG23 ILE 48 3HG2 ILE 48 -2.874 -3.291 -11.574 384 HD11 ILE 48 3HD1 ILE 48 -4.231 0.499 -12.886 385 HD12 ILE 48 1HD1 ILE 48 -2.812 -0.492 -12.553 386 HD13 ILE 48 2HD1 ILE 48 -3.341 0.722 -11.384 387 H VAL 49 H VAL 49 -4.837 -5.390 -9.272 388 HA VAL 49 HA VAL 49 -3.836 -5.267 -6.517 389 HB VAL 49 HB VAL 49 -4.676 -7.688 -8.198 390 HG11 VAL 49 1HG1 VAL 49 -4.686 -8.962 -6.087 391 HG12 VAL 49 2HG1 VAL 49 -4.074 -7.553 -5.215 392 HG13 VAL 49 3HG1 VAL 49 -3.076 -8.333 -6.444 393 HG21 VAL 49 3HG2 VAL 49 -6.753 -7.699 -6.873 394 HG22 VAL 49 1HG2 VAL 49 -6.574 -6.175 -7.743 395 HG23 VAL 49 2HG2 VAL 49 -6.236 -6.246 -6.012 396 H ILE 50 H ILE 50 -1.709 -4.923 -6.440 397 HA ILE 50 HA ILE 50 0.155 -5.968 -8.440 398 HB ILE 50 HB ILE 50 0.516 -3.954 -6.153 399 HG12 ILE 50 2HG1 ILE 50 0.383 -3.493 -9.174 400 HG13 ILE 50 3HG1 ILE 50 -0.887 -3.098 -8.020 401 HG21 ILE 50 1HG2 ILE 50 2.624 -5.146 -6.564 402 HG22 ILE 50 2HG2 ILE 50 2.745 -3.473 -7.103 403 HG23 ILE 50 3HG2 ILE 50 2.532 -4.766 -8.286 404 HD11 ILE 50 3HD1 ILE 50 0.332 -1.137 -8.674 405 HD12 ILE 50 1HD1 ILE 50 1.853 -1.846 -8.137 406 HD13 ILE 50 2HD1 ILE 50 0.589 -1.462 -6.962 407 H LYS 51 H LYS 51 0.846 -7.972 -7.949 408 HA LYS 51 HA LYS 51 0.840 -9.011 -5.218 409 HB2 LYS 51 2HB LYS 51 1.373 -10.276 -7.952 410 HB3 LYS 51 3HB LYS 51 1.369 -11.180 -6.438 411 HG2 LYS 51 2HG LYS 51 -0.980 -10.756 -6.084 412 HG3 LYS 51 3HG LYS 51 -1.032 -9.584 -7.402 413 HD2 LYS 51 2HD LYS 51 -0.484 -12.561 -7.769 414 HD3 LYS 51 3HD LYS 51 -2.057 -11.794 -7.988 415 HE2 LYS 51 2HE LYS 51 -1.053 -10.353 -9.779 416 HE3 LYS 51 3HE LYS 51 0.457 -11.256 -9.611 417 HZ1 LYS 51 3HZ LYS 51 -0.862 -12.113 -11.437 418 HZ2 LYS 51 1HZ LYS 51 -2.179 -12.387 -10.412 419 HZ3 LYS 51 2HZ LYS 51 -0.761 -13.281 -10.222 420 H ASN 52 H ASN 52 2.700 -9.670 -4.098 421 HA ASN 52 HA ASN 52 5.124 -8.284 -4.653 422 HB2 ASN 52 2HB ASN 52 6.019 -9.343 -2.627 423 HB3 ASN 52 3HB ASN 52 4.396 -8.738 -2.346 424 HD21 ASN 52 1HD2 ASN 52 4.295 -10.074 -0.503 425 HD22 ASN 52 2HD2 ASN 52 3.997 -11.767 -0.614 426 H THR 53 H THR 53 3.957 -11.394 -5.526 427 HA THR 53 HA THR 53 6.544 -12.517 -6.258 428 HB THR 53 HB THR 53 4.735 -13.938 -5.285 429 HG1 THR 53 HG1 THR 53 6.341 -14.927 -6.555 430 HG21 THR 53 3HG2 THR 53 3.318 -13.557 -7.950 431 HG22 THR 53 1HG2 THR 53 2.774 -12.902 -6.402 432 HG23 THR 53 2HG2 THR 53 2.825 -14.648 -6.654 433 H ASP 54 H ASP 54 4.584 -10.265 -7.722 434 HA ASP 54 HA ASP 54 5.046 -11.232 -10.492 435 HB2 ASP 54 2HB ASP 54 2.640 -10.760 -9.652 436 HB3 ASP 54 3HB ASP 54 3.067 -9.050 -9.686 437 H GLU 55 H GLU 55 7.002 -10.447 -11.021 438 HA GLU 55 HA GLU 55 8.400 -8.222 -10.407 439 HB2 GLU 55 2HB GLU 55 9.373 -9.931 -11.821 440 HB3 GLU 55 3HB GLU 55 8.207 -9.625 -13.103 441 HG2 GLU 55 2HG GLU 55 9.226 -7.344 -13.411 442 HG3 GLU 55 3HG GLU 55 10.458 -7.773 -12.228 443 H ASN 56 H ASN 56 6.165 -8.293 -13.256 444 HA ASN 56 HA ASN 56 6.952 -5.662 -14.072 445 HB2 ASN 56 2HB ASN 56 5.276 -5.913 -15.891 446 HB3 ASN 56 3HB ASN 56 6.336 -7.312 -15.764 447 HD21 ASN 56 1HD2 ASN 56 3.074 -6.127 -15.198 448 HD22 ASN 56 2HD2 ASN 56 2.326 -7.680 -15.065 449 H LEU 57 H LEU 57 4.167 -6.889 -12.244 450 HA LEU 57 HA LEU 57 2.606 -4.535 -12.284 451 HB2 LEU 57 2HB LEU 57 2.755 -6.835 -10.312 452 HB3 LEU 57 3HB LEU 57 1.662 -5.485 -10.045 453 HG LEU 57 HG LEU 57 1.585 -7.371 -12.446 454 HD11 LEU 57 1HD1 LEU 57 -0.524 -8.204 -11.486 455 HD12 LEU 57 2HD1 LEU 57 -0.301 -7.173 -10.070 456 HD13 LEU 57 3HD1 LEU 57 0.835 -8.481 -10.396 457 HD21 LEU 57 3HD2 LEU 57 0.850 -5.129 -13.088 458 HD22 LEU 57 1HD2 LEU 57 -0.280 -5.080 -11.730 459 HD23 LEU 57 2HD2 LEU 57 -0.518 -6.236 -13.043 460 H ILE 58 H ILE 58 5.359 -5.457 -10.245 461 HA ILE 58 HA ILE 58 5.053 -3.188 -8.434 462 HB ILE 58 HB ILE 58 7.401 -5.151 -8.630 463 HG12 ILE 58 2HG1 ILE 58 4.924 -5.343 -6.842 464 HG13 ILE 58 3HG1 ILE 58 5.268 -6.374 -8.227 465 HG21 ILE 58 1HG2 ILE 58 7.926 -3.087 -7.378 466 HG22 ILE 58 2HG2 ILE 58 7.877 -4.477 -6.300 467 HG23 ILE 58 3HG2 ILE 58 6.525 -3.342 -6.332 468 HD11 ILE 58 3HD1 ILE 58 5.777 -7.524 -6.197 469 HD12 ILE 58 1HD1 ILE 58 6.847 -6.229 -5.667 470 HD13 ILE 58 2HD1 ILE 58 7.273 -7.215 -7.072 471 H ASN 59 H ASN 59 7.113 -4.182 -11.119 472 HA ASN 59 HA ASN 59 9.153 -2.304 -11.110 473 HB2 ASN 59 2HB ASN 59 8.976 -4.396 -12.508 474 HB3 ASN 59 3HB ASN 59 7.871 -3.559 -13.587 475 HD21 ASN 59 1HD2 ASN 59 10.486 -4.780 -14.102 476 HD22 ASN 59 2HD2 ASN 59 11.463 -3.540 -14.804 477 H HIS 60 H HIS 60 5.920 -2.029 -12.468 478 HA HIS 60 HA HIS 60 6.446 0.546 -13.753 479 HB2 HIS 60 2HB HIS 60 5.037 -1.206 -14.865 480 HB3 HIS 60 3HB HIS 60 3.850 -1.044 -13.576 481 HD1 HIS 60 HD1 HIS 60 1.901 0.129 -14.558 482 HD2 HIS 60 HD2 HIS 60 5.471 1.792 -15.867 483 HE1 HIS 60 HE1 HIS 60 1.249 2.099 -15.972 484 HE2 HIS 60 HE2 HIS 60 3.419 2.967 -16.888 485 H SER 61 H SER 61 5.867 -0.275 -10.612 486 HA SER 61 HA SER 61 4.226 2.119 -10.014 487 HB2 SER 61 2HB SER 61 3.175 0.715 -8.183 488 HB3 SER 61 3HB SER 61 2.769 0.205 -9.824 489 HG SER 61 HG SER 61 3.340 -1.631 -8.869 490 H LYS 62 H LYS 62 5.765 3.465 -9.233 491 HA LYS 62 HA LYS 62 8.110 2.864 -7.893 492 HB2 LYS 62 2HB LYS 62 7.528 5.038 -9.033 493 HB3 LYS 62 3HB LYS 62 6.453 5.427 -7.699 494 HG2 LYS 62 2HG LYS 62 8.531 6.650 -7.442 495 HG3 LYS 62 3HG LYS 62 8.404 5.452 -6.151 496 HD2 LYS 62 2HD LYS 62 10.688 5.513 -7.029 497 HD3 LYS 62 3HD LYS 62 9.944 3.956 -7.395 498 HE2 LYS 62 2HE LYS 62 9.467 4.771 -9.711 499 HE3 LYS 62 3HE LYS 62 10.303 6.279 -9.325 500 HZ1 LYS 62 3HZ LYS 62 11.776 4.773 -10.476 501 HZ2 LYS 62 1HZ LYS 62 11.509 3.560 -9.331 502 HZ3 LYS 62 2HZ LYS 62 12.322 4.972 -8.890 503 H LEU 63 H LEU 63 4.965 3.853 -6.532 504 HA LEU 63 HA LEU 63 5.741 3.962 -3.812 505 HB2 LEU 63 2HB LEU 63 3.673 5.035 -4.706 506 HB3 LEU 63 3HB LEU 63 2.967 3.448 -4.954 507 HG LEU 63 HG LEU 63 3.083 3.056 -2.462 508 HD11 LEU 63 1HD1 LEU 63 4.886 4.576 -1.869 509 HD12 LEU 63 2HD1 LEU 63 3.438 4.935 -0.935 510 HD13 LEU 63 3HD1 LEU 63 3.889 5.974 -2.289 511 HD21 LEU 63 3HD2 LEU 63 1.432 5.461 -3.310 512 HD22 LEU 63 1HD2 LEU 63 1.144 4.452 -1.890 513 HD23 LEU 63 2HD2 LEU 63 0.986 3.765 -3.503 514 H ALA 64 H ALA 64 4.527 1.287 -5.809 515 HA ALA 64 HA ALA 64 4.034 -0.583 -3.718 516 HB1 ALA 64 3HB ALA 64 3.112 -0.862 -5.988 517 HB2 ALA 64 1HB ALA 64 4.013 -2.287 -5.476 518 HB3 ALA 64 2HB ALA 64 4.737 -1.147 -6.618 519 H GLN 65 H GLN 65 6.855 0.091 -5.774 520 HA GLN 65 HA GLN 65 8.592 -1.926 -4.885 521 HB2 GLN 65 2HB GLN 65 9.279 0.899 -5.818 522 HB3 GLN 65 3HB GLN 65 10.442 -0.417 -5.663 523 HG2 GLN 65 2HG GLN 65 9.259 -1.685 -7.391 524 HG3 GLN 65 3HG GLN 65 8.056 -0.405 -7.532 525 HE21 GLN 65 1HE2 GLN 65 9.774 -1.481 -9.589 526 HE22 GLN 65 2HE2 GLN 65 10.716 -0.168 -10.196 527 H GLN 66 H GLN 66 8.062 1.387 -3.636 528 HA GLN 66 HA GLN 66 9.818 1.388 -1.482 529 HB2 GLN 66 2HB GLN 66 7.112 2.757 -1.800 530 HB3 GLN 66 3HB GLN 66 8.224 3.108 -0.481 531 HG2 GLN 66 2HG GLN 66 8.881 3.479 -3.420 532 HG3 GLN 66 3HG GLN 66 8.310 4.759 -2.352 533 HE21 GLN 66 1HE2 GLN 66 11.010 2.678 -3.135 534 HE22 GLN 66 2HE2 GLN 66 12.194 3.538 -2.220 535 H ILE 67 H ILE 67 6.372 0.349 -1.521 536 HA ILE 67 HA ILE 67 6.171 -0.087 1.276 537 HB ILE 67 HB ILE 67 4.386 -1.054 -1.015 538 HG12 ILE 67 2HG1 ILE 67 4.027 1.263 0.962 539 HG13 ILE 67 3HG1 ILE 67 4.518 1.432 -0.718 540 HG21 ILE 67 1HG2 ILE 67 2.637 -1.522 0.683 541 HG22 ILE 67 2HG2 ILE 67 3.781 -1.147 1.971 542 HG23 ILE 67 3HG2 ILE 67 4.059 -2.541 0.930 543 HD11 ILE 67 3HD1 ILE 67 2.201 2.001 -0.451 544 HD12 ILE 67 1HD1 ILE 67 1.854 0.425 0.263 545 HD13 ILE 67 2HD1 ILE 67 2.348 0.541 -1.429 546 H PHE 68 H PHE 68 6.705 -2.362 -1.454 547 HA PHE 68 HA PHE 68 6.774 -4.707 0.178 548 HB2 PHE 68 2HB PHE 68 7.753 -4.241 -2.673 549 HB3 PHE 68 3HB PHE 68 7.785 -5.815 -1.886 550 HD1 PHE 68 HD1 PHE 68 5.276 -6.174 -0.561 551 HD2 PHE 68 HD2 PHE 68 6.016 -4.180 -4.275 552 HE1 PHE 68 HE1 PHE 68 2.977 -6.666 -1.295 553 HE2 PHE 68 HE2 PHE 68 3.717 -4.676 -4.993 554 HZ PHE 68 HZ PHE 68 2.195 -5.920 -3.506 555 H LEU 69 H LEU 69 9.333 -2.499 -0.976 556 HA LEU 69 HA LEU 69 11.548 -4.168 -0.277 557 HB2 LEU 69 2HB LEU 69 11.668 -2.320 -1.954 558 HB3 LEU 69 3HB LEU 69 11.441 -1.147 -0.672 559 HG LEU 69 HG LEU 69 13.645 -1.766 0.299 560 HD11 LEU 69 1HD1 LEU 69 15.202 -3.234 -0.905 561 HD12 LEU 69 2HD1 LEU 69 13.945 -3.631 -2.079 562 HD13 LEU 69 3HD1 LEU 69 13.764 -4.115 -0.391 563 HD21 LEU 69 3HD2 LEU 69 13.811 -1.043 -2.651 564 HD22 LEU 69 1HD2 LEU 69 15.066 -0.761 -1.440 565 HD23 LEU 69 2HD2 LEU 69 13.524 0.079 -1.321 566 H GLN 70 H GLN 70 9.948 -1.432 1.348 567 HA GLN 70 HA GLN 70 11.655 -1.544 3.689 568 HB2 GLN 70 2HB GLN 70 9.186 0.118 3.034 569 HB3 GLN 70 3HB GLN 70 10.059 0.246 4.561 570 HG2 GLN 70 2HG GLN 70 12.111 0.905 3.319 571 HG3 GLN 70 3HG GLN 70 11.203 0.817 1.807 572 HE21 GLN 70 1HE2 GLN 70 11.657 3.014 1.407 573 HE22 GLN 70 2HE2 GLN 70 10.871 4.289 2.258 574 H CYS 71 H CYS 71 8.508 -2.836 2.765 575 HA CYS 71 HA CYS 71 8.251 -4.138 5.401 576 HB2 CYS 71 2HB CYS 71 5.942 -2.828 3.889 577 HB3 CYS 71 3HB CYS 71 5.811 -3.739 5.392 578 HG CYS 71 HG CYS 71 7.445 -0.759 5.020 579 HA PRO 72 HA PRO 72 7.976 -7.247 1.954 580 HB2 PRO 72 2HB PRO 72 9.494 -9.192 3.071 581 HB3 PRO 72 3HB PRO 72 10.236 -7.731 2.381 582 HG2 PRO 72 2HG PRO 72 9.621 -8.335 5.263 583 HG3 PRO 72 3HG PRO 72 11.119 -7.696 4.546 584 HD2 PRO 72 2HD PRO 72 9.237 -6.080 5.710 585 HD3 PRO 72 3HD PRO 72 10.279 -5.536 4.374 586 H GLY 73 H GLY 73 6.721 -7.058 5.073 587 HA2 GLY 73 2HA GLY 73 5.442 -9.651 5.242 588 HA3 GLY 73 3HA GLY 73 5.178 -8.273 6.301 589 H VAL 74 H VAL 74 4.890 -7.143 3.218 590 HA VAL 74 HA VAL 74 1.963 -7.308 3.149 591 HB VAL 74 HB VAL 74 3.876 -5.709 1.368 592 HG11 VAL 74 1HG1 VAL 74 0.849 -5.481 1.648 593 HG12 VAL 74 2HG1 VAL 74 1.719 -6.150 0.264 594 HG13 VAL 74 3HG1 VAL 74 1.887 -4.442 0.662 595 HG21 VAL 74 3HG2 VAL 74 4.002 -4.970 3.718 596 HG22 VAL 74 1HG2 VAL 74 2.249 -4.749 3.763 597 HG23 VAL 74 2HG2 VAL 74 3.245 -3.740 2.708 598 H GLU 75 H GLU 75 0.856 -8.508 1.681 599 HA GLU 75 HA GLU 75 2.238 -10.446 0.002 600 HB2 GLU 75 2HB GLU 75 -0.752 -10.081 0.531 601 HB3 GLU 75 3HB GLU 75 -0.024 -11.441 -0.316 602 HG2 GLU 75 2HG GLU 75 0.343 -10.736 2.603 603 HG3 GLU 75 3HG GLU 75 -0.639 -12.045 1.964 604 H SER 76 H SER 76 -0.191 -7.873 -0.365 605 HA SER 76 HA SER 76 0.585 -7.269 -3.058 606 HB2 SER 76 2HB SER 76 -1.700 -7.775 -4.064 607 HB3 SER 76 3HB SER 76 -0.760 -9.203 -3.630 608 HG SER 76 HG SER 76 -1.995 -9.252 -1.656 609 H LEU 77 H LEU 77 -0.743 -5.512 -3.987 610 HA LEU 77 HA LEU 77 -1.932 -3.732 -1.919 611 HB2 LEU 77 2HB LEU 77 -0.331 -2.957 -4.404 612 HB3 LEU 77 3HB LEU 77 -0.968 -1.846 -3.199 613 HG LEU 77 HG LEU 77 1.223 -3.901 -2.705 614 HD11 LEU 77 1HD1 LEU 77 2.758 -2.007 -2.611 615 HD12 LEU 77 2HD1 LEU 77 1.451 -0.900 -3.045 616 HD13 LEU 77 3HD1 LEU 77 1.988 -2.134 -4.190 617 HD21 LEU 77 3HD2 LEU 77 -0.015 -3.462 -0.661 618 HD22 LEU 77 1HD2 LEU 77 0.187 -1.720 -0.881 619 HD23 LEU 77 2HD2 LEU 77 1.593 -2.746 -0.579 620 H MET 78 H MET 78 -4.026 -3.239 -2.394 621 HA MET 78 HA MET 78 -5.043 -3.618 -5.148 622 HB2 MET 78 2HB MET 78 -6.331 -4.784 -3.397 623 HB3 MET 78 3HB MET 78 -6.530 -3.286 -2.506 624 HG2 MET 78 2HG MET 78 -7.925 -2.361 -4.275 625 HG3 MET 78 3HG MET 78 -7.652 -3.786 -5.278 626 HE1 MET 78 3HE MET 78 -7.917 -6.227 -3.281 627 HE2 MET 78 1HE MET 78 -8.742 -6.148 -4.839 628 HE3 MET 78 2HE MET 78 -9.647 -6.555 -3.382 629 H ILE 79 H ILE 79 -4.608 -1.814 -6.251 630 HA ILE 79 HA ILE 79 -4.360 0.770 -4.936 631 HB ILE 79 HB ILE 79 -3.918 0.141 -7.906 632 HG12 ILE 79 2HG1 ILE 79 -2.423 -1.293 -6.481 633 HG13 ILE 79 3HG1 ILE 79 -1.538 -0.155 -7.482 634 HG21 ILE 79 1HG2 ILE 79 -2.513 2.201 -7.862 635 HG22 ILE 79 2HG2 ILE 79 -2.973 2.477 -6.177 636 HG23 ILE 79 3HG2 ILE 79 -4.198 2.527 -7.450 637 HD11 ILE 79 3HD1 ILE 79 -0.541 -0.351 -5.306 638 HD12 ILE 79 1HD1 ILE 79 -2.061 0.088 -4.534 639 HD13 ILE 79 2HD1 ILE 79 -1.196 1.273 -5.511 640 H GLY 80 H GLY 80 -6.190 1.836 -4.680 641 HA2 GLY 80 2HA GLY 80 -8.294 1.844 -6.765 642 HA3 GLY 80 3HA GLY 80 -8.479 2.362 -5.086 643 H ASP 81 H ASP 81 -9.318 4.061 -6.965 644 HA ASP 81 HA ASP 81 -7.354 6.051 -7.633 645 HB2 ASP 81 2HB ASP 81 -9.280 7.399 -8.377 646 HB3 ASP 81 3HB ASP 81 -9.342 5.770 -9.029 647 H ASP 82 H ASP 82 -9.869 5.710 -5.143 648 HA ASP 82 HA ASP 82 -9.105 8.165 -3.759 649 HB2 ASP 82 2HB ASP 82 -11.140 5.997 -3.056 650 HB3 ASP 82 3HB ASP 82 -10.901 7.465 -2.119 651 H PHE 83 H PHE 83 -8.715 4.668 -3.342 652 HA PHE 83 HA PHE 83 -7.327 5.094 -0.752 653 HB2 PHE 83 2HB PHE 83 -8.573 3.212 0.246 654 HB3 PHE 83 3HB PHE 83 -9.661 4.499 -0.247 655 HD1 PHE 83 HD2 PHE 83 -11.036 4.210 -2.377 656 HD2 PHE 83 HD1 PHE 83 -8.846 0.975 -0.633 657 HE1 PHE 83 HE2 PHE 83 -12.377 2.604 -3.667 658 HE2 PHE 83 HE1 PHE 83 -10.192 -0.629 -1.930 659 HZ PHE 83 HZ PHE 83 -11.956 0.186 -3.450 660 H LEU 84 H LEU 84 -6.342 3.008 0.043 661 HA LEU 84 HA LEU 84 -5.299 1.233 -2.049 662 HB2 LEU 84 2HB LEU 84 -3.604 2.942 -1.890 663 HB3 LEU 84 3HB LEU 84 -3.668 2.962 -0.138 664 HG LEU 84 HG LEU 84 -2.525 0.827 -0.000 665 HD11 LEU 84 1HD1 LEU 84 -1.715 -0.415 -1.960 666 HD12 LEU 84 2HD1 LEU 84 -2.615 0.675 -3.019 667 HD13 LEU 84 3HD1 LEU 84 -3.477 -0.362 -1.883 668 HD21 LEU 84 3HD2 LEU 84 -0.344 1.426 -0.948 669 HD22 LEU 84 1HD2 LEU 84 -1.127 2.833 -0.229 670 HD23 LEU 84 2HD2 LEU 84 -1.102 2.637 -1.984 671 H THR 85 H THR 85 -5.893 -0.691 -1.364 672 HA THR 85 HA THR 85 -6.299 -1.255 1.499 673 HB THR 85 HB THR 85 -7.203 -2.820 -0.966 674 HG1 THR 85 HG1 THR 85 -8.975 -1.666 -0.873 675 HG21 THR 85 3HG2 THR 85 -8.658 -4.078 0.581 676 HG22 THR 85 1HG2 THR 85 -7.979 -3.201 1.952 677 HG23 THR 85 2HG2 THR 85 -6.962 -4.297 1.013 678 H ILE 86 H ILE 86 -4.531 -2.035 2.436 679 HA ILE 86 HA ILE 86 -2.361 -3.265 0.920 680 HB ILE 86 HB ILE 86 -2.542 -2.595 3.902 681 HG12 ILE 86 2HG1 ILE 86 -2.733 -0.582 2.331 682 HG13 ILE 86 3HG1 ILE 86 -1.439 -0.519 3.512 683 HG21 ILE 86 1HG2 ILE 86 -0.819 -4.276 3.492 684 HG22 ILE 86 2HG2 ILE 86 -0.063 -2.739 3.906 685 HG23 ILE 86 3HG2 ILE 86 -0.089 -3.281 2.226 686 HD11 ILE 86 3HD1 ILE 86 0.174 -1.130 1.772 687 HD12 ILE 86 1HD1 ILE 86 -0.719 0.340 1.384 688 HD13 ILE 86 2HD1 ILE 86 -1.139 -1.177 0.592 689 H ASN 87 H ASN 87 -2.825 -5.380 0.473 690 HA ASN 87 HA ASN 87 -3.922 -7.217 2.455 691 HB2 ASN 87 2HB ASN 87 -2.823 -7.751 -0.357 692 HB3 ASN 87 3HB ASN 87 -3.737 -8.888 0.631 693 HD21 ASN 87 1HD2 ASN 87 -4.242 -7.717 -2.065 694 HD22 ASN 87 2HD2 ASN 87 -5.843 -7.072 -1.982 695 H LYS 88 H LYS 88 -2.613 -8.515 3.723 696 HA LYS 88 HA LYS 88 0.243 -8.765 3.262 697 HB2 LYS 88 2HB LYS 88 0.737 -7.782 5.588 698 HB3 LYS 88 3HB LYS 88 0.322 -6.642 4.316 699 HG2 LYS 88 2HG LYS 88 -0.864 -5.857 6.161 700 HG3 LYS 88 3HG LYS 88 -2.065 -6.713 5.206 701 HD2 LYS 88 2HD LYS 88 -2.603 -7.400 7.364 702 HD3 LYS 88 3HD LYS 88 -1.564 -8.727 6.850 703 HE2 LYS 88 2HE LYS 88 -0.715 -6.361 8.562 704 HE3 LYS 88 3HE LYS 88 -1.053 -7.990 9.145 705 HZ1 LYS 88 3HZ LYS 88 1.141 -7.194 7.323 706 HZ2 LYS 88 1HZ LYS 88 0.771 -8.784 7.738 707 HZ3 LYS 88 2HZ LYS 88 1.280 -7.704 8.926 708 H ASP 89 H ASP 89 1.312 -9.973 5.052 709 HA ASP 89 HA ASP 89 0.049 -12.476 5.536 710 HB2 ASP 89 2HB ASP 89 2.453 -12.201 5.006 711 HB3 ASP 89 3HB ASP 89 2.698 -11.250 6.468 712 H ARG 90 H ARG 90 -1.134 -13.038 7.318 713 HA ARG 90 HA ARG 90 -1.951 -10.998 9.150 714 HB2 ARG 90 2HB ARG 90 -3.557 -12.628 9.983 715 HB3 ARG 90 3HB ARG 90 -3.502 -12.678 8.223 716 HG2 ARG 90 2HG ARG 90 -1.970 -14.692 8.419 717 HG3 ARG 90 3HG ARG 90 -2.293 -14.675 10.155 718 HD2 ARG 90 2HD ARG 90 -4.332 -15.060 7.940 719 HD3 ARG 90 3HD ARG 90 -3.729 -16.302 9.040 720 HE ARG 90 HE ARG 90 -4.759 -14.896 10.862 721 HH11 ARG 90 1HH1 ARG 90 -6.109 -14.891 7.602 722 HH12 ARG 90 2HH1 ARG 90 -7.705 -14.478 8.137 723 HH21 ARG 90 1HH2 ARG 90 -6.875 -14.375 11.546 724 HH22 ARG 90 2HH2 ARG 90 -8.129 -14.191 10.361 725 H MET 91 H MET 91 0.601 -13.286 9.344 726 HA MET 91 HA MET 91 0.696 -13.477 12.240 727 HB2 MET 91 2HB MET 91 2.918 -14.093 10.230 728 HB3 MET 91 3HB MET 91 2.874 -14.569 11.925 729 HG2 MET 91 2HG MET 91 1.006 -15.552 9.756 730 HG3 MET 91 3HG MET 91 2.333 -16.454 10.485 731 HE1 MET 91 3HE MET 91 0.980 -17.006 14.161 732 HE2 MET 91 1HE MET 91 2.034 -15.709 13.611 733 HE3 MET 91 2HE MET 91 2.294 -17.359 13.036 734 H VAL 92 H VAL 92 1.979 -11.369 9.741 735 HA VAL 92 HA VAL 92 3.703 -9.840 11.551 736 HB VAL 92 HB VAL 92 2.880 -9.061 8.697 737 HG11 VAL 92 1HG1 VAL 92 4.975 -7.748 8.695 738 HG12 VAL 92 2HG1 VAL 92 5.318 -8.260 10.350 739 HG13 VAL 92 3HG1 VAL 92 3.913 -7.246 10.014 740 HG21 VAL 92 3HG2 VAL 92 3.844 -11.311 8.612 741 HG22 VAL 92 1HG2 VAL 92 5.263 -10.768 9.511 742 HG23 VAL 92 2HG2 VAL 92 4.950 -10.143 7.888 743 H HIS 93 H HIS 93 3.174 -7.668 12.222 744 HA HIS 93 HA HIS 93 0.258 -7.263 12.537 745 HB2 HIS 93 2HB HIS 93 2.484 -6.036 14.229 746 HB3 HIS 93 3HB HIS 93 0.764 -6.148 14.616 747 HD1 HIS 93 HD1 HIS 93 0.025 -8.946 14.440 748 HD2 HIS 93 HD2 HIS 93 3.840 -7.889 15.703 749 HE1 HIS 93 HE1 HIS 93 0.921 -10.962 15.617 750 HE2 HIS 93 HE2 HIS 93 3.135 -10.222 16.555 751 H TRP 94 H TRP 94 -0.590 -5.104 12.619 752 HA TRP 94 HA TRP 94 0.323 -3.394 10.481 753 HB2 TRP 94 2HB TRP 94 -1.987 -3.154 12.458 754 HB3 TRP 94 3HB TRP 94 -1.665 -1.941 11.218 755 HD1 TRP 94 HD1 TRP 94 -3.427 -5.207 11.701 756 HE1 TRP 94 HE1 TRP 94 -4.349 -6.028 9.451 757 HE3 TRP 94 HE3 TRP 94 -0.950 -1.978 8.592 758 HZ2 TRP 94 HZ2 TRP 94 -4.074 -5.385 6.727 759 HZ3 TRP 94 HZ3 TRP 94 -1.330 -2.156 6.168 760 HH2 TRP 94 HH2 TRP 94 -2.860 -3.826 5.264 761 H ASN 95 H ASN 95 0.705 -3.402 13.920 762 HA ASN 95 HA ASN 95 1.301 -0.711 14.425 763 HB2 ASN 95 2HB ASN 95 0.883 -2.415 16.184 764 HB3 ASN 95 3HB ASN 95 2.404 -3.210 15.795 765 HD21 ASN 95 1HD2 ASN 95 3.154 -2.953 17.894 766 HD22 ASN 95 2HD2 ASN 95 3.663 -1.432 18.536 767 H SER 96 H SER 96 3.207 -3.215 12.922 768 HA SER 96 HA SER 96 5.701 -1.687 12.950 769 HB2 SER 96 2HB SER 96 5.088 -4.411 11.718 770 HB3 SER 96 3HB SER 96 6.688 -3.708 11.979 771 HG SER 96 HG SER 96 5.926 -3.619 14.299 772 H ILE 97 H ILE 97 3.105 -2.527 10.642 773 HA ILE 97 HA ILE 97 4.792 -1.773 8.340 774 HB ILE 97 HB ILE 97 1.951 -2.918 8.258 775 HG12 ILE 97 2HG1 ILE 97 4.638 -4.370 8.068 776 HG13 ILE 97 3HG1 ILE 97 3.436 -4.559 9.339 777 HG21 ILE 97 1HG2 ILE 97 2.685 -1.708 6.200 778 HG22 ILE 97 2HG2 ILE 97 2.434 -3.426 5.909 779 HG23 ILE 97 3HG2 ILE 97 4.072 -2.788 6.072 780 HD11 ILE 97 3HD1 ILE 97 3.388 -6.431 7.829 781 HD12 ILE 97 1HD1 ILE 97 3.109 -5.370 6.451 782 HD13 ILE 97 2HD1 ILE 97 1.880 -5.530 7.709 783 H LYS 98 H LYS 98 1.686 -0.858 9.861 784 HA LYS 98 HA LYS 98 0.685 0.935 8.009 785 HB2 LYS 98 2HB LYS 98 -0.756 0.104 9.731 786 HB3 LYS 98 3HB LYS 98 0.247 0.780 11.009 787 HG2 LYS 98 2HG LYS 98 -0.445 3.039 10.455 788 HG3 LYS 98 3HG LYS 98 -1.269 2.471 9.004 789 HD2 LYS 98 2HD LYS 98 -2.886 2.954 10.779 790 HD3 LYS 98 3HD LYS 98 -2.899 1.239 10.370 791 HE2 LYS 98 2HE LYS 98 -3.053 1.586 12.785 792 HE3 LYS 98 3HE LYS 98 -1.556 0.751 12.380 793 HZ1 LYS 98 3HZ LYS 98 -1.792 3.660 12.920 794 HZ2 LYS 98 1HZ LYS 98 -0.361 2.812 12.646 795 HZ3 LYS 98 2HZ LYS 98 -1.267 2.510 14.039 796 HA PRO 99 HA PRO 99 2.903 4.754 10.360 797 HB2 PRO 99 2HB PRO 99 5.501 4.030 11.209 798 HB3 PRO 99 3HB PRO 99 4.103 4.257 12.277 799 HG2 PRO 99 2HG PRO 99 5.203 1.701 11.138 800 HG3 PRO 99 3HG PRO 99 4.619 2.044 12.786 801 HD2 PRO 99 2HD PRO 99 3.069 0.717 11.074 802 HD3 PRO 99 3HD PRO 99 2.354 1.949 12.141 803 H GLU 100 H GLU 100 4.783 2.158 8.809 804 HA GLU 100 HA GLU 100 6.481 3.815 7.245 805 HB2 GLU 100 2HB GLU 100 5.730 0.945 6.543 806 HB3 GLU 100 3HB GLU 100 7.221 1.799 6.165 807 HG2 GLU 100 2HG GLU 100 6.325 0.835 8.899 808 HG3 GLU 100 3HG GLU 100 7.600 0.140 7.903 809 H ILE 101 H ILE 101 3.368 2.215 6.624 810 HA ILE 101 HA ILE 101 3.129 2.713 3.851 811 HB ILE 101 HB ILE 101 0.904 2.376 5.933 812 HG12 ILE 101 2HG1 ILE 101 2.039 0.283 4.011 813 HG13 ILE 101 3HG1 ILE 101 2.522 0.432 5.697 814 HG21 ILE 101 1HG2 ILE 101 0.011 3.451 3.902 815 HG22 ILE 101 2HG2 ILE 101 -0.586 1.798 4.029 816 HG23 ILE 101 3HG2 ILE 101 0.712 2.182 2.894 817 HD11 ILE 101 3HD1 ILE 101 0.299 -0.104 6.433 818 HD12 ILE 101 1HD1 ILE 101 0.881 -1.340 5.323 819 HD13 ILE 101 2HD1 ILE 101 -0.283 -0.140 4.768 820 H ILE 102 H ILE 102 1.808 4.502 6.674 821 HA ILE 102 HA ILE 102 0.527 6.575 5.251 822 HB ILE 102 HB ILE 102 1.625 6.616 8.110 823 HG12 ILE 102 2HG1 ILE 102 -1.216 6.011 7.123 824 HG13 ILE 102 3HG1 ILE 102 -0.050 4.790 7.624 825 HG21 ILE 102 1HG2 ILE 102 0.042 8.474 8.543 826 HG22 ILE 102 2HG2 ILE 102 -0.434 8.481 6.844 827 HG23 ILE 102 3HG2 ILE 102 1.214 8.918 7.295 828 HD11 ILE 102 3HD1 ILE 102 -0.031 5.748 9.878 829 HD12 ILE 102 1HD1 ILE 102 -1.633 5.210 9.379 830 HD13 ILE 102 2HD1 ILE 102 -1.243 6.931 9.373 831 H ASP 103 H ASP 103 3.830 6.254 6.492 832 HA ASP 103 HA ASP 103 4.735 8.897 5.997 833 HB2 ASP 103 2HB ASP 103 5.902 7.270 7.512 834 HB3 ASP 103 3HB ASP 103 6.386 6.319 6.113 835 H LEU 104 H LEU 104 4.996 5.890 4.066 836 HA LEU 104 HA LEU 104 6.416 7.006 1.874 837 HB2 LEU 104 2HB LEU 104 4.771 4.452 2.127 838 HB3 LEU 104 3HB LEU 104 5.699 4.851 0.686 839 HG LEU 104 HG LEU 104 6.896 4.469 3.462 840 HD11 LEU 104 1HD1 LEU 104 6.032 2.347 2.597 841 HD12 LEU 104 2HD1 LEU 104 7.792 2.343 2.645 842 HD13 LEU 104 3HD1 LEU 104 6.953 2.553 1.104 843 HD21 LEU 104 3HD2 LEU 104 8.188 6.039 2.102 844 HD22 LEU 104 1HD2 LEU 104 8.271 4.865 0.782 845 HD23 LEU 104 2HD2 LEU 104 9.068 4.531 2.323 846 H LEU 105 H LEU 105 2.967 6.560 2.500 847 HA LEU 105 HA LEU 105 2.024 7.418 -0.057 848 HB2 LEU 105 2HB LEU 105 0.730 6.942 2.630 849 HB3 LEU 105 3HB LEU 105 -0.147 7.928 1.475 850 HG LEU 105 HG LEU 105 -0.225 6.089 -0.141 851 HD11 LEU 105 1HD1 LEU 105 1.320 4.396 1.840 852 HD12 LEU 105 2HD1 LEU 105 1.908 4.990 0.287 853 HD13 LEU 105 3HD1 LEU 105 0.583 3.832 0.338 854 HD21 LEU 105 3HD2 LEU 105 -2.012 6.245 1.525 855 HD22 LEU 105 1HD2 LEU 105 -1.117 5.181 2.616 856 HD23 LEU 105 2HD2 LEU 105 -1.719 4.569 1.071 857 H THR 106 H THR 106 3.186 9.113 2.772 858 HA THR 106 HA THR 106 2.184 11.717 2.006 859 HB THR 106 HB THR 106 4.239 10.799 4.069 860 HG1 THR 106 HG1 THR 106 1.822 10.476 4.268 861 HG21 THR 106 3HG2 THR 106 4.137 13.094 5.010 862 HG22 THR 106 1HG2 THR 106 3.178 13.619 3.629 863 HG23 THR 106 2HG2 THR 106 4.847 13.090 3.394 864 H LYS 107 H LYS 107 5.281 9.917 1.807 865 HA LYS 107 HA LYS 107 6.950 11.907 0.758 866 HB2 LYS 107 2HB LYS 107 7.023 8.867 0.420 867 HB3 LYS 107 3HB LYS 107 8.312 9.922 -0.143 868 HG2 LYS 107 2HG LYS 107 7.444 9.685 2.759 869 HG3 LYS 107 3HG LYS 107 8.787 8.795 2.039 870 HD2 LYS 107 2HD LYS 107 9.823 11.042 1.440 871 HD3 LYS 107 3HD LYS 107 8.561 11.810 2.405 872 HE2 LYS 107 2HE LYS 107 10.579 9.791 3.466 873 HE3 LYS 107 3HE LYS 107 10.703 11.542 3.640 874 HZ1 LYS 107 3HZ LYS 107 8.660 11.532 4.906 875 HZ2 LYS 107 1HZ LYS 107 9.805 10.508 5.614 876 HZ3 LYS 107 2HZ LYS 107 8.523 9.857 4.729 877 H GLN 108 H GLN 108 5.109 9.372 -0.906 878 HA GLN 108 HA GLN 108 5.512 9.900 -3.572 879 HB2 GLN 108 2HB GLN 108 4.232 7.966 -2.884 880 HB3 GLN 108 3HB GLN 108 3.048 8.967 -2.060 881 HG2 GLN 108 2HG GLN 108 2.462 9.894 -4.411 882 HG3 GLN 108 3HG GLN 108 3.376 8.519 -5.034 883 HE21 GLN 108 1HE2 GLN 108 1.388 8.405 -2.092 884 HE22 GLN 108 2HE2 GLN 108 0.196 7.349 -2.744 885 H LEU 109 H LEU 109 2.847 11.222 -1.584 886 HA LEU 109 HA LEU 109 1.814 12.806 -3.754 887 HB2 LEU 109 2HB LEU 109 0.993 12.717 -0.821 888 HB3 LEU 109 3HB LEU 109 0.088 13.510 -2.099 889 HG LEU 109 HG LEU 109 0.568 10.507 -1.859 890 HD11 LEU 109 1HD1 LEU 109 -1.991 12.089 -1.431 891 HD12 LEU 109 2HD1 LEU 109 -1.010 11.322 -0.180 892 HD13 LEU 109 3HD1 LEU 109 -1.833 10.329 -1.380 893 HD21 LEU 109 3HD2 LEU 109 -0.981 10.245 -3.761 894 HD22 LEU 109 1HD2 LEU 109 0.472 11.136 -4.215 895 HD23 LEU 109 2HD2 LEU 109 -1.045 11.998 -3.959 896 H ALA 110 H ALA 110 4.131 13.417 -1.265 897 HA ALA 110 HA ALA 110 3.807 16.307 -1.146 898 HB1 ALA 110 3HB ALA 110 5.774 16.278 0.334 899 HB2 ALA 110 1HB ALA 110 6.041 14.565 -0.032 900 HB3 ALA 110 2HB ALA 110 4.593 15.068 0.836 901 H TYR 111 H TYR 111 6.204 14.021 -2.468 902 HA TYR 111 HA TYR 111 7.663 16.089 -3.886 903 HB2 TYR 111 2HB TYR 111 7.892 13.048 -4.014 904 HB3 TYR 111 3HB TYR 111 9.006 14.175 -4.781 905 HD1 TYR 111 HD2 TYR 111 9.739 16.152 -2.876 906 HD2 TYR 111 HD1 TYR 111 8.854 12.040 -2.112 907 HE1 TYR 111 HE2 TYR 111 11.087 16.233 -0.825 908 HE2 TYR 111 HE1 TYR 111 10.204 12.130 -0.066 909 HH TYR 111 HH TYR 111 12.058 13.452 0.844 910 H GLY 112 H GLY 112 4.855 14.238 -4.509 911 HA2 GLY 112 2HA GLY 112 3.339 14.520 -6.252 912 HA3 GLY 112 3HA GLY 112 4.548 15.412 -7.163 913 H GLU 113 H GLU 113 5.470 12.384 -5.826 914 HA GLU 113 HA GLU 113 6.108 11.199 -8.344 915 HB2 GLU 113 2HB GLU 113 6.048 9.939 -5.558 916 HB3 GLU 113 3HB GLU 113 6.834 9.257 -6.985 917 HG2 GLU 113 2HG GLU 113 8.403 11.148 -7.049 918 HG3 GLU 113 3HG GLU 113 7.587 11.878 -5.665 919 H ASP 114 H ASP 114 5.432 8.868 -8.757 920 HA ASP 114 HA ASP 114 2.486 8.798 -8.980 921 HB2 ASP 114 2HB ASP 114 4.674 7.306 -10.527 922 HB3 ASP 114 3HB ASP 114 2.945 7.159 -10.836 923 H VAL 115 H VAL 115 1.304 7.185 -8.026 924 HA VAL 115 HA VAL 115 2.408 5.074 -6.469 925 HB VAL 115 HB VAL 115 0.115 5.756 -5.981 926 HG11 VAL 115 1HG1 VAL 115 -1.803 5.368 -7.490 927 HG12 VAL 115 2HG1 VAL 115 -0.697 4.825 -8.756 928 HG13 VAL 115 3HG1 VAL 115 -0.635 6.494 -8.189 929 HG21 VAL 115 3HG2 VAL 115 0.702 3.408 -5.488 930 HG22 VAL 115 1HG2 VAL 115 0.100 2.911 -7.070 931 HG23 VAL 115 2HG2 VAL 115 -1.015 3.564 -5.864 932 H ILE 116 H ILE 116 1.011 5.208 -9.704 933 HA ILE 116 HA ILE 116 2.685 3.014 -10.716 934 HB ILE 116 HB ILE 116 -0.339 3.260 -11.245 935 HG12 ILE 116 2HG1 ILE 116 1.128 1.043 -9.738 936 HG13 ILE 116 3HG1 ILE 116 0.149 2.297 -8.990 937 HG21 ILE 116 1HG2 ILE 116 -0.107 1.193 -12.578 938 HG22 ILE 116 2HG2 ILE 116 1.634 1.186 -12.292 939 HG23 ILE 116 3HG2 ILE 116 0.900 2.487 -13.232 940 HD11 ILE 116 3HD1 ILE 116 -0.839 0.173 -10.879 941 HD12 ILE 116 1HD1 ILE 116 -1.822 1.446 -10.151 942 HD13 ILE 116 2HD1 ILE 116 -1.064 0.223 -9.131 943 H SER 117 H SER 117 0.051 5.189 -11.649 944 HA SER 117 HA SER 117 1.782 7.039 -13.013 945 HB2 SER 117 2HB SER 117 0.483 6.915 -15.180 946 HB3 SER 117 3HB SER 117 1.403 5.448 -14.856 947 HG SER 117 HG SER 117 -1.388 5.851 -14.518 948 H LYS 118 H LYS 118 0.935 9.057 -12.797 949 HA LYS 118 HA LYS 118 -1.661 9.447 -11.486 950 HB2 LYS 118 2HB LYS 118 -0.884 11.817 -11.237 951 HB3 LYS 118 3HB LYS 118 0.262 10.660 -10.570 952 HG2 LYS 118 2HG LYS 118 1.612 10.884 -12.688 953 HG3 LYS 118 3HG LYS 118 0.514 12.173 -13.191 954 HD2 LYS 118 2HD LYS 118 1.148 13.488 -11.172 955 HD3 LYS 118 3HD LYS 118 2.248 12.194 -10.677 956 HE2 LYS 118 2HE LYS 118 2.477 13.892 -13.187 957 HE3 LYS 118 3HE LYS 118 3.495 13.995 -11.749 958 HZ1 LYS 118 3HZ LYS 118 3.364 11.791 -13.724 959 HZ2 LYS 118 1HZ LYS 118 4.113 11.619 -12.216 960 HZ3 LYS 118 2HZ LYS 118 4.690 12.756 -13.321 961 H GLU 119 H GLU 119 -1.994 8.423 -13.971 962 HA GLU 119 HA GLU 119 -3.286 10.469 -15.581 963 HB2 GLU 119 2HB GLU 119 -0.979 10.481 -16.474 964 HB3 GLU 119 3HB GLU 119 -0.962 8.725 -16.588 965 HG2 GLU 119 2HG GLU 119 -1.231 9.673 -18.791 966 HG3 GLU 119 3HG GLU 119 -2.713 8.837 -18.337 Start of MODEL 6 1 H1 MET 1 1H MET 1 4.746 35.359 39.883 2 H2 MET 1 2H MET 1 6.430 35.384 39.759 3 H3 MET 1 3H MET 1 5.491 35.034 38.403 4 HA MET 1 HA MET 1 4.561 37.235 38.403 5 HB2 MET 1 2HB MET 1 6.509 37.759 40.704 6 HB3 MET 1 3HB MET 1 5.524 38.978 39.905 7 HG2 MET 1 2HG MET 1 3.486 37.847 40.726 8 HG3 MET 1 3HG MET 1 4.497 36.657 41.547 9 HE1 MET 1 3HE MET 1 4.341 41.138 42.653 10 HE2 MET 1 1HE MET 1 3.343 40.405 41.403 11 HE3 MET 1 2HE MET 1 5.085 40.557 41.162 12 H GLY 2 H GLY 2 5.416 37.637 36.414 13 HA2 GLY 2 2HA GLY 2 6.917 38.244 34.784 14 HA3 GLY 2 3HA GLY 2 8.079 38.622 36.051 15 H HIS 3 H HIS 3 9.823 37.668 34.988 16 HA HIS 3 HA HIS 3 11.402 36.080 34.647 17 HB2 HIS 3 2HB HIS 3 9.539 34.330 36.311 18 HB3 HIS 3 3HB HIS 3 11.167 33.854 35.845 19 HD1 HIS 3 HD1 HIS 3 12.478 33.934 37.954 20 HD2 HIS 3 HD2 HIS 3 10.006 37.253 37.598 21 HE1 HIS 3 HE1 HIS 3 13.021 35.398 39.913 22 HE2 HIS 3 HE2 HIS 3 11.654 37.470 39.557 23 H HIS 4 H HIS 4 8.672 36.120 32.967 24 HA HIS 4 HA HIS 4 8.493 33.435 31.936 25 HB2 HIS 4 2HB HIS 4 6.462 34.825 32.117 26 HB3 HIS 4 3HB HIS 4 7.136 35.994 30.988 27 HD1 HIS 4 HD1 HIS 4 6.356 35.690 28.639 28 HD2 HIS 4 HD2 HIS 4 6.236 32.119 30.771 29 HE1 HIS 4 HE1 HIS 4 5.438 33.972 27.046 30 HE2 HIS 4 HE2 HIS 4 5.254 31.864 28.405 31 H HIS 5 H HIS 5 10.009 32.714 30.622 32 HA HIS 5 HA HIS 5 10.812 34.318 28.269 33 HB2 HIS 5 2HB HIS 5 12.574 32.453 29.921 34 HB3 HIS 5 3HB HIS 5 13.026 33.114 28.354 35 HD1 HIS 5 HD1 HIS 5 13.500 33.735 31.827 36 HD2 HIS 5 HD2 HIS 5 12.943 36.167 28.502 37 HE1 HIS 5 HE1 HIS 5 14.371 35.991 32.478 38 HE2 HIS 5 HE2 HIS 5 13.943 37.463 30.489 39 H HIS 6 H HIS 6 11.144 30.914 29.420 40 HA HIS 6 HA HIS 6 11.212 28.978 28.235 41 HB2 HIS 6 2HB HIS 6 8.547 30.128 27.288 42 HB3 HIS 6 3HB HIS 6 9.062 28.483 26.917 43 HD1 HIS 6 HD1 HIS 6 9.590 26.948 29.123 44 HD2 HIS 6 HD2 HIS 6 7.244 30.340 29.690 45 HE1 HIS 6 HE1 HIS 6 8.448 26.626 31.346 46 HE2 HIS 6 HE2 HIS 6 6.944 28.632 31.588 47 H HIS 7 H HIS 7 12.919 30.632 27.223 48 HA HIS 7 HA HIS 7 12.560 31.602 24.610 49 HB2 HIS 7 2HB HIS 7 14.185 32.487 26.341 50 HB3 HIS 7 3HB HIS 7 15.208 31.082 26.039 51 HD1 HIS 7 HD1 HIS 7 14.068 34.313 24.497 52 HD2 HIS 7 HD2 HIS 7 16.713 31.222 23.670 53 HE1 HIS 7 HE1 HIS 7 15.501 35.133 22.607 54 HE2 HIS 7 HE2 HIS 7 17.017 33.207 22.060 55 H HIS 8 H HIS 8 11.956 30.091 23.164 56 HA HIS 8 HA HIS 8 13.945 28.094 22.313 57 HB2 HIS 8 2HB HIS 8 11.005 27.518 22.912 58 HB3 HIS 8 3HB HIS 8 11.963 26.495 21.846 59 HD1 HIS 8 HD1 HIS 8 14.099 25.312 22.980 60 HD2 HIS 8 HD2 HIS 8 11.313 26.948 25.598 61 HE1 HIS 8 HE1 HIS 8 14.615 24.324 25.227 62 HE2 HIS 8 HE2 HIS 8 13.013 25.440 26.809 63 H SER 9 H SER 9 14.363 28.385 20.282 64 HA SER 9 HA SER 9 12.358 29.500 18.413 65 HB2 SER 9 2HB SER 9 14.211 31.096 18.973 66 HB3 SER 9 3HB SER 9 15.389 29.922 18.392 67 HG SER 9 HG SER 9 13.847 31.678 17.002 68 H HIS 10 H HIS 10 11.680 27.381 17.903 69 HA HIS 10 HA HIS 10 13.239 25.945 15.925 70 HB2 HIS 10 2HB HIS 10 14.136 24.959 18.032 71 HB3 HIS 10 3HB HIS 10 12.506 24.566 18.563 72 HD1 HIS 10 HD1 HIS 10 15.287 23.365 16.390 73 HD2 HIS 10 HD2 HIS 10 11.343 22.323 17.188 74 HE1 HIS 10 HE1 HIS 10 14.975 21.072 15.421 75 HE2 HIS 10 HE2 HIS 10 12.538 20.561 15.750 76 H MET 11 H MET 11 11.835 25.281 14.415 77 HA MET 11 HA MET 11 9.427 23.873 15.117 78 HB2 MET 11 2HB MET 11 7.857 25.276 13.808 79 HB3 MET 11 3HB MET 11 8.525 26.153 15.172 80 HG2 MET 11 2HG MET 11 10.083 27.314 13.629 81 HG3 MET 11 3HG MET 11 9.325 26.481 12.270 82 HE1 MET 11 3HE MET 11 8.057 30.235 12.003 83 HE2 MET 11 1HE MET 11 8.925 28.952 11.164 84 HE3 MET 11 2HE MET 11 9.635 29.716 12.592 85 H ASN 12 H ASN 12 9.221 22.222 13.738 86 HA ASN 12 HA ASN 12 10.081 22.540 10.919 87 HB2 ASN 12 2HB ASN 12 11.634 21.018 12.080 88 HB3 ASN 12 3HB ASN 12 10.289 20.025 12.639 89 HD21 ASN 12 1HD2 ASN 12 9.384 18.531 11.235 90 HD22 ASN 12 2HD2 ASN 12 10.013 18.200 9.660 91 H SER 13 H SER 13 8.063 23.206 10.342 92 HA SER 13 HA SER 13 5.934 21.168 10.265 93 HB2 SER 13 2HB SER 13 5.520 24.091 11.068 94 HB3 SER 13 3HB SER 13 4.253 22.876 10.880 95 HG SER 13 HG SER 13 5.694 21.697 12.542 96 H GLN 14 H GLN 14 6.813 20.904 8.159 97 HA GLN 14 HA GLN 14 6.383 23.097 6.204 98 HB2 GLN 14 2HB GLN 14 8.186 20.645 5.959 99 HB3 GLN 14 3HB GLN 14 8.057 21.965 4.797 100 HG2 GLN 14 2HG GLN 14 9.038 23.519 6.415 101 HG3 GLN 14 3HG GLN 14 9.100 22.242 7.633 102 HE21 GLN 14 1HE2 GLN 14 10.616 20.563 7.399 103 HE22 GLN 14 2HE2 GLN 14 11.980 20.699 6.343 104 H ARG 15 H ARG 15 6.218 19.543 6.578 105 HA ARG 15 HA ARG 15 3.979 19.399 4.651 106 HB2 ARG 15 2HB ARG 15 6.520 17.698 4.645 107 HB3 ARG 15 3HB ARG 15 5.054 17.245 3.775 108 HG2 ARG 15 2HG ARG 15 5.229 19.295 2.409 109 HG3 ARG 15 3HG ARG 15 6.699 19.746 3.275 110 HD2 ARG 15 2HD ARG 15 7.873 17.805 2.406 111 HD3 ARG 15 3HD ARG 15 6.390 17.183 1.668 112 HE ARG 15 HE ARG 15 6.833 19.734 0.624 113 HH11 ARG 15 1HH1 ARG 15 8.423 16.579 0.519 114 HH12 ARG 15 2HH1 ARG 15 9.115 16.858 -1.050 115 HH21 ARG 15 1HH2 ARG 15 7.728 20.049 -1.446 116 HH22 ARG 15 2HH2 ARG 15 8.718 18.814 -2.152 117 H LEU 16 H LEU 16 2.320 18.415 5.581 118 HA LEU 16 HA LEU 16 2.717 15.863 6.900 119 HB2 LEU 16 2HB LEU 16 1.342 16.286 8.819 120 HB3 LEU 16 3HB LEU 16 2.628 17.473 8.808 121 HG LEU 16 HG LEU 16 -0.243 18.070 7.958 122 HD11 LEU 16 1HD1 LEU 16 -0.181 17.473 10.323 123 HD12 LEU 16 2HD1 LEU 16 -0.508 19.192 10.118 124 HD13 LEU 16 3HD1 LEU 16 1.102 18.655 10.609 125 HD21 LEU 16 3HD2 LEU 16 1.371 19.612 6.945 126 HD22 LEU 16 1HD2 LEU 16 2.063 19.961 8.531 127 HD23 LEU 16 2HD2 LEU 16 0.403 20.438 8.162 128 H ILE 17 H ILE 17 1.430 14.489 5.876 129 HA ILE 17 HA ILE 17 -1.051 15.488 4.590 130 HB ILE 17 HB ILE 17 0.716 13.203 3.596 131 HG12 ILE 17 2HG1 ILE 17 0.248 16.019 2.512 132 HG13 ILE 17 3HG1 ILE 17 1.747 15.396 3.185 133 HG21 ILE 17 1HG2 ILE 17 -1.835 14.367 2.403 134 HG22 ILE 17 2HG2 ILE 17 -1.673 12.769 3.136 135 HG23 ILE 17 3HG2 ILE 17 -0.816 13.143 1.640 136 HD11 ILE 17 3HD1 ILE 17 1.922 13.843 1.300 137 HD12 ILE 17 1HD1 ILE 17 1.884 15.531 0.802 138 HD13 ILE 17 2HD1 ILE 17 0.447 14.527 0.610 139 H HIS 18 H HIS 18 -2.624 14.937 5.820 140 HA HIS 18 HA HIS 18 -2.800 12.831 7.660 141 HB2 HIS 18 2HB HIS 18 -5.048 14.440 6.370 142 HB3 HIS 18 3HB HIS 18 -5.160 13.523 7.873 143 HD1 HIS 18 HD1 HIS 18 -3.739 16.696 6.427 144 HD2 HIS 18 HD2 HIS 18 -4.054 14.812 10.129 145 HE1 HIS 18 HE1 HIS 18 -2.983 18.389 8.133 146 HE2 HIS 18 HE2 HIS 18 -3.391 17.290 10.358 147 H ILE 19 H ILE 19 -3.100 10.763 7.296 148 HA ILE 19 HA ILE 19 -4.495 9.774 4.882 149 HB ILE 19 HB ILE 19 -2.045 8.505 6.224 150 HG12 ILE 19 2HG1 ILE 19 -1.439 10.451 4.771 151 HG13 ILE 19 3HG1 ILE 19 -0.817 8.935 4.133 152 HG21 ILE 19 1HG2 ILE 19 -3.604 6.782 5.453 153 HG22 ILE 19 2HG2 ILE 19 -2.168 6.793 4.429 154 HG23 ILE 19 3HG2 ILE 19 -3.670 7.518 3.849 155 HD11 ILE 19 3HD1 ILE 19 -1.648 10.355 2.370 156 HD12 ILE 19 1HD1 ILE 19 -3.235 10.437 3.132 157 HD13 ILE 19 2HD1 ILE 19 -2.643 8.903 2.481 158 H LYS 20 H LYS 20 -6.321 8.779 5.569 159 HA LYS 20 HA LYS 20 -6.543 7.899 8.387 160 HB2 LYS 20 2HB LYS 20 -8.071 9.773 7.811 161 HB3 LYS 20 3HB LYS 20 -8.702 8.862 6.442 162 HG2 LYS 20 2HG LYS 20 -9.583 7.144 8.030 163 HG3 LYS 20 3HG LYS 20 -8.995 8.126 9.376 164 HD2 LYS 20 2HD LYS 20 -11.400 8.490 9.037 165 HD3 LYS 20 3HD LYS 20 -10.496 9.968 8.702 166 HE2 LYS 20 2HE LYS 20 -10.673 9.526 6.271 167 HE3 LYS 20 3HE LYS 20 -11.554 8.033 6.607 168 HZ1 LYS 20 3HZ LYS 20 -13.340 9.300 7.564 169 HZ2 LYS 20 1HZ LYS 20 -13.015 9.900 6.019 170 HZ3 LYS 20 2HZ LYS 20 -12.491 10.746 7.381 171 H THR 21 H THR 21 -6.772 5.709 8.595 172 HA THR 21 HA THR 21 -7.129 4.166 6.088 173 HB THR 21 HB THR 21 -4.828 4.034 6.919 174 HG1 THR 21 HG1 THR 21 -6.141 2.146 6.070 175 HG21 THR 21 3HG2 THR 21 -5.181 4.368 9.353 176 HG22 THR 21 1HG2 THR 21 -4.233 2.910 9.025 177 HG23 THR 21 2HG2 THR 21 -5.935 2.777 9.459 178 H LEU 22 H LEU 22 -9.041 3.265 6.046 179 HA LEU 22 HA LEU 22 -10.626 2.836 8.444 180 HB2 LEU 22 2HB LEU 22 -11.409 2.638 5.504 181 HB3 LEU 22 3HB LEU 22 -12.516 2.579 6.871 182 HG LEU 22 HG LEU 22 -10.871 4.977 5.972 183 HD11 LEU 22 1HD1 LEU 22 -13.875 4.549 5.994 184 HD12 LEU 22 2HD1 LEU 22 -12.827 4.569 4.572 185 HD13 LEU 22 3HD1 LEU 22 -13.035 6.034 5.527 186 HD21 LEU 22 3HD2 LEU 22 -10.935 4.979 8.389 187 HD22 LEU 22 1HD2 LEU 22 -12.685 4.723 8.389 188 HD23 LEU 22 2HD2 LEU 22 -12.006 6.231 7.773 189 H THR 23 H THR 23 -11.585 0.952 8.982 190 HA THR 23 HA THR 23 -10.277 -1.522 8.258 191 HB THR 23 HB THR 23 -11.862 -2.490 10.000 192 HG1 THR 23 HG1 THR 23 -13.194 -1.117 11.124 193 HG21 THR 23 3HG2 THR 23 -10.237 -0.087 10.925 194 HG22 THR 23 1HG2 THR 23 -9.602 -1.714 10.655 195 HG23 THR 23 2HG2 THR 23 -10.775 -1.427 11.940 196 H THR 24 H THR 24 -11.300 -3.307 7.284 197 HA THR 24 HA THR 24 -13.790 -2.793 5.745 198 HB THR 24 HB THR 24 -12.852 -4.237 3.973 199 HG1 THR 24 HG1 THR 24 -10.466 -4.414 5.521 200 HG21 THR 24 3HG2 THR 24 -12.200 -1.849 3.827 201 HG22 THR 24 1HG2 THR 24 -10.932 -2.901 3.194 202 HG23 THR 24 2HG2 THR 24 -10.763 -2.184 4.800 203 HA PRO 25 HA PRO 25 -15.419 -6.857 7.387 204 HB2 PRO 25 2HB PRO 25 -15.041 -7.924 4.573 205 HB3 PRO 25 3HB PRO 25 -16.410 -8.148 5.690 206 HG2 PRO 25 2HG PRO 25 -16.620 -6.404 3.714 207 HG3 PRO 25 3HG PRO 25 -17.247 -5.989 5.326 208 HD2 PRO 25 2HD PRO 25 -14.755 -5.015 3.961 209 HD3 PRO 25 3HD PRO 25 -15.841 -4.159 5.082 210 H ASN 26 H ASN 26 -12.552 -6.851 5.285 211 HA ASN 26 HA ASN 26 -11.378 -9.227 6.521 212 HB2 ASN 26 2HB ASN 26 -11.114 -8.526 4.053 213 HB3 ASN 26 3HB ASN 26 -10.047 -7.247 4.618 214 HD21 ASN 26 1HD2 ASN 26 -9.314 -9.235 2.821 215 HD22 ASN 26 2HD2 ASN 26 -8.104 -10.241 3.524 216 H GLU 27 H GLU 27 -9.604 -9.151 7.918 217 HA GLU 27 HA GLU 27 -9.168 -6.706 9.474 218 HB2 GLU 27 2HB GLU 27 -7.761 -8.313 10.910 219 HB3 GLU 27 3HB GLU 27 -9.483 -8.676 10.814 220 HG2 GLU 27 2HG GLU 27 -9.053 -10.421 9.147 221 HG3 GLU 27 3HG GLU 27 -7.336 -10.023 9.140 222 H ASN 28 H ASN 28 -7.482 -8.797 7.242 223 HA ASN 28 HA ASN 28 -4.835 -7.658 7.752 224 HB2 ASN 28 2HB ASN 28 -5.799 -10.014 6.071 225 HB3 ASN 28 3HB ASN 28 -4.107 -9.534 6.207 226 HD21 ASN 28 1HD2 ASN 28 -5.709 -11.954 7.121 227 HD22 ASN 28 2HD2 ASN 28 -5.256 -12.155 8.776 228 H ALA 29 H ALA 29 -7.395 -7.375 5.452 229 HA ALA 29 HA ALA 29 -5.724 -5.748 3.637 230 HB1 ALA 29 3HB ALA 29 -7.226 -7.365 2.538 231 HB2 ALA 29 1HB ALA 29 -7.696 -5.710 2.152 232 HB3 ALA 29 2HB ALA 29 -8.622 -6.637 3.333 233 H LEU 30 H LEU 30 -5.490 -3.705 4.344 234 HA LEU 30 HA LEU 30 -7.697 -2.377 5.836 235 HB2 LEU 30 2HB LEU 30 -5.559 -2.945 7.094 236 HB3 LEU 30 3HB LEU 30 -4.711 -1.830 6.043 237 HG LEU 30 HG LEU 30 -6.121 0.037 6.946 238 HD11 LEU 30 1HD1 LEU 30 -7.164 -2.038 8.885 239 HD12 LEU 30 2HD1 LEU 30 -8.095 -1.216 7.628 240 HD13 LEU 30 3HD1 LEU 30 -7.440 -0.294 8.979 241 HD21 LEU 30 3HD2 LEU 30 -4.993 0.185 9.124 242 HD22 LEU 30 1HD2 LEU 30 -3.895 -0.391 7.869 243 HD23 LEU 30 2HD2 LEU 30 -4.578 -1.530 9.034 244 H LYS 31 H LYS 31 -8.482 -0.548 4.952 245 HA LYS 31 HA LYS 31 -7.554 0.200 2.277 246 HB2 LYS 31 2HB LYS 31 -9.923 -0.508 2.765 247 HB3 LYS 31 3HB LYS 31 -10.115 0.908 3.788 248 HG2 LYS 31 2HG LYS 31 -9.870 2.375 1.830 249 HG3 LYS 31 3HG LYS 31 -9.583 0.967 0.796 250 HD2 LYS 31 2HD LYS 31 -11.869 0.111 1.435 251 HD3 LYS 31 3HD LYS 31 -12.141 1.613 2.319 252 HE2 LYS 31 2HE LYS 31 -11.582 1.449 -0.660 253 HE3 LYS 31 3HE LYS 31 -13.191 1.560 0.052 254 HZ1 LYS 31 3HZ LYS 31 -12.674 3.709 0.920 255 HZ2 LYS 31 1HZ LYS 31 -12.301 3.708 -0.725 256 HZ3 LYS 31 2HZ LYS 31 -11.064 3.606 0.421 257 H PHE 32 H PHE 32 -6.138 1.898 2.178 258 HA PHE 32 HA PHE 32 -6.047 3.945 4.287 259 HB2 PHE 32 2HB PHE 32 -4.118 3.229 2.032 260 HB3 PHE 32 3HB PHE 32 -3.896 4.640 3.060 261 HD1 PHE 32 HD2 PHE 32 -4.399 0.916 3.353 262 HD2 PHE 32 HD1 PHE 32 -2.540 4.421 4.958 263 HE1 PHE 32 HE2 PHE 32 -3.191 -0.469 4.985 264 HE2 PHE 32 HE1 PHE 32 -1.336 3.022 6.582 265 HZ PHE 32 HZ PHE 32 -1.659 0.582 6.602 266 H LEU 33 H LEU 33 -6.849 5.951 3.951 267 HA LEU 33 HA LEU 33 -7.595 6.809 1.208 268 HB2 LEU 33 2HB LEU 33 -9.572 6.344 2.571 269 HB3 LEU 33 3HB LEU 33 -8.955 7.329 3.885 270 HG LEU 33 HG LEU 33 -9.226 9.377 2.459 271 HD11 LEU 33 1HD1 LEU 33 -8.980 8.386 0.248 272 HD12 LEU 33 2HD1 LEU 33 -10.491 9.282 0.369 273 HD13 LEU 33 3HD1 LEU 33 -10.505 7.517 0.440 274 HD21 LEU 33 3HD2 LEU 33 -11.673 9.493 2.562 275 HD22 LEU 33 1HD2 LEU 33 -11.006 8.740 4.011 276 HD23 LEU 33 2HD2 LEU 33 -11.761 7.741 2.766 277 H SER 34 H SER 34 -6.855 8.770 0.555 278 HA SER 34 HA SER 34 -5.267 10.462 2.355 279 HB2 SER 34 2HB SER 34 -4.372 10.064 0.092 280 HB3 SER 34 3HB SER 34 -5.867 10.654 -0.632 281 HG SER 34 HG SER 34 -4.346 12.289 -0.665 282 H THR 35 H THR 35 -6.224 12.113 3.426 283 HA THR 35 HA THR 35 -8.980 12.886 2.711 284 HB THR 35 HB THR 35 -9.008 13.847 5.077 285 HG1 THR 35 HG1 THR 35 -6.771 14.042 5.426 286 HG21 THR 35 3HG2 THR 35 -9.980 11.626 4.613 287 HG22 THR 35 1HG2 THR 35 -9.203 11.643 6.198 288 HG23 THR 35 2HG2 THR 35 -8.397 10.873 4.827 289 H ASP 36 H ASP 36 -5.975 14.046 2.025 290 HA ASP 36 HA ASP 36 -6.712 16.897 2.308 291 HB2 ASP 36 2HB ASP 36 -4.023 15.522 1.950 292 HB3 ASP 36 3HB ASP 36 -4.213 17.261 1.722 293 H GLY 37 H GLY 37 -7.856 15.142 0.244 294 HA2 GLY 37 2HA GLY 37 -8.776 15.882 -1.758 295 HA3 GLY 37 3HA GLY 37 -7.499 17.072 -1.921 296 H GLU 38 H GLU 38 -5.252 15.390 -1.768 297 HA GLU 38 HA GLU 38 -4.941 14.645 -4.445 298 HB2 GLU 38 2HB GLU 38 -3.277 14.125 -1.971 299 HB3 GLU 38 3HB GLU 38 -2.788 13.471 -3.529 300 HG2 GLU 38 2HG GLU 38 -3.299 16.428 -3.084 301 HG3 GLU 38 3HG GLU 38 -1.724 15.675 -2.837 302 H MET 39 H MET 39 -6.505 13.240 -5.080 303 HA MET 39 HA MET 39 -6.794 10.549 -4.067 304 HB2 MET 39 2HB MET 39 -8.716 11.680 -5.059 305 HB3 MET 39 3HB MET 39 -7.841 11.971 -6.555 306 HG2 MET 39 2HG MET 39 -7.862 9.605 -7.078 307 HG3 MET 39 3HG MET 39 -8.596 9.231 -5.521 308 HE1 MET 39 3HE MET 39 -10.913 11.270 -5.076 309 HE2 MET 39 1HE MET 39 -11.115 9.519 -4.956 310 HE3 MET 39 2HE MET 39 -12.241 10.472 -5.919 311 H LEU 40 H LEU 40 -5.903 8.671 -4.968 312 HA LEU 40 HA LEU 40 -3.267 8.901 -5.987 313 HB2 LEU 40 2HB LEU 40 -5.060 6.442 -5.789 314 HB3 LEU 40 3HB LEU 40 -3.322 6.399 -6.064 315 HG LEU 40 HG LEU 40 -4.676 7.450 -3.542 316 HD11 LEU 40 1HD1 LEU 40 -4.893 5.028 -3.760 317 HD12 LEU 40 2HD1 LEU 40 -3.802 5.457 -2.447 318 HD13 LEU 40 3HD1 LEU 40 -3.147 4.873 -3.980 319 HD21 LEU 40 3HD2 LEU 40 -2.556 8.617 -3.965 320 HD22 LEU 40 1HD2 LEU 40 -1.714 7.073 -4.128 321 HD23 LEU 40 2HD2 LEU 40 -2.417 7.545 -2.576 322 H GLN 41 H GLN 41 -6.130 7.390 -7.476 323 HA GLN 41 HA GLN 41 -5.287 8.358 -10.138 324 HB2 GLN 41 2HB GLN 41 -6.416 5.591 -9.485 325 HB3 GLN 41 3HB GLN 41 -6.328 6.250 -11.118 326 HG2 GLN 41 2HG GLN 41 -3.856 6.419 -10.893 327 HG3 GLN 41 3HG GLN 41 -3.962 5.692 -9.293 328 HE21 GLN 41 1HE2 GLN 41 -5.898 4.607 -12.052 329 HE22 GLN 41 2HE2 GLN 41 -5.105 3.088 -12.234 330 H THR 42 H THR 42 -6.908 9.338 -11.269 331 HA THR 42 HA THR 42 -9.009 10.492 -9.842 332 HB THR 42 HB THR 42 -9.820 11.258 -12.176 333 HG1 THR 42 HG1 THR 42 -7.375 10.082 -13.062 334 HG21 THR 42 3HG2 THR 42 -7.871 12.744 -12.526 335 HG22 THR 42 1HG2 THR 42 -6.899 11.742 -11.449 336 HG23 THR 42 2HG2 THR 42 -8.283 12.640 -10.814 337 H ARG 43 H ARG 43 -11.218 10.158 -9.767 338 HA ARG 43 HA ARG 43 -11.940 7.482 -9.493 339 HB2 ARG 43 2HB ARG 43 -12.841 9.504 -8.226 340 HB3 ARG 43 3HB ARG 43 -13.920 9.784 -9.596 341 HG2 ARG 43 2HG ARG 43 -14.963 7.586 -9.240 342 HG3 ARG 43 3HG ARG 43 -13.846 7.248 -7.915 343 HD2 ARG 43 2HD ARG 43 -14.787 9.221 -6.687 344 HD3 ARG 43 3HD ARG 43 -15.968 9.422 -7.988 345 HE ARG 43 HE ARG 43 -15.993 6.771 -6.887 346 HH11 ARG 43 1HH1 ARG 43 -17.186 10.046 -6.292 347 HH12 ARG 43 2HH1 ARG 43 -18.526 9.502 -5.336 348 HH21 ARG 43 1HH2 ARG 43 -17.744 6.103 -5.600 349 HH22 ARG 43 2HH2 ARG 43 -18.834 7.284 -4.948 350 H GLY 44 H GLY 44 -12.751 6.039 -10.821 351 HA2 GLY 44 2HA GLY 44 -14.275 5.622 -12.833 352 HA3 GLY 44 3HA GLY 44 -13.238 6.786 -13.653 353 H SER 45 H SER 45 -11.205 5.415 -11.606 354 HA SER 45 HA SER 45 -9.907 3.690 -13.499 355 HB2 SER 45 2HB SER 45 -8.620 5.159 -11.963 356 HB3 SER 45 3HB SER 45 -9.298 4.325 -10.566 357 HG SER 45 HG SER 45 -7.864 2.813 -10.800 358 H LYS 46 H LYS 46 -9.000 1.545 -12.549 359 HA LYS 46 HA LYS 46 -11.153 -0.094 -11.330 360 HB2 LYS 46 2HB LYS 46 -8.909 -1.061 -13.184 361 HB3 LYS 46 3HB LYS 46 -10.206 -2.041 -12.518 362 HG2 LYS 46 2HG LYS 46 -10.862 -1.686 -14.749 363 HG3 LYS 46 3HG LYS 46 -11.818 -0.518 -13.835 364 HD2 LYS 46 2HD LYS 46 -10.136 1.253 -14.434 365 HD3 LYS 46 3HD LYS 46 -9.281 0.065 -15.420 366 HE2 LYS 46 2HE LYS 46 -12.152 0.965 -15.873 367 HE3 LYS 46 3HE LYS 46 -10.748 1.563 -16.757 368 HZ1 LYS 46 3HZ LYS 46 -11.784 -1.227 -16.768 369 HZ2 LYS 46 1HZ LYS 46 -10.350 -0.741 -17.517 370 HZ3 LYS 46 2HZ LYS 46 -11.826 -0.122 -18.044 371 H SER 47 H SER 47 -10.365 -1.835 -9.884 372 HA SER 47 HA SER 47 -8.287 -0.936 -8.093 373 HB2 SER 47 2HB SER 47 -9.963 -3.487 -8.035 374 HB3 SER 47 3HB SER 47 -8.947 -2.898 -6.716 375 HG SER 47 HG SER 47 -10.299 -0.907 -6.908 376 H ILE 48 H ILE 48 -6.331 -1.043 -9.125 377 HA ILE 48 HA ILE 48 -5.438 -3.283 -10.695 378 HB ILE 48 HB ILE 48 -3.811 -0.938 -9.609 379 HG12 ILE 48 2HG1 ILE 48 -5.206 -1.230 -12.313 380 HG13 ILE 48 3HG1 ILE 48 -5.748 -0.199 -10.995 381 HG21 ILE 48 1HG2 ILE 48 -3.176 -2.851 -11.888 382 HG22 ILE 48 2HG2 ILE 48 -2.364 -2.791 -10.322 383 HG23 ILE 48 3HG2 ILE 48 -2.217 -1.434 -11.440 384 HD11 ILE 48 3HD1 ILE 48 -3.715 1.149 -11.211 385 HD12 ILE 48 1HD1 ILE 48 -4.645 1.093 -12.706 386 HD13 ILE 48 2HD1 ILE 48 -3.178 0.126 -12.549 387 H VAL 49 H VAL 49 -5.053 -5.172 -9.682 388 HA VAL 49 HA VAL 49 -4.131 -5.355 -6.936 389 HB VAL 49 HB VAL 49 -4.643 -7.590 -8.965 390 HG11 VAL 49 1HG1 VAL 49 -3.257 -8.332 -7.067 391 HG12 VAL 49 2HG1 VAL 49 -4.853 -9.086 -7.024 392 HG13 VAL 49 3HG1 VAL 49 -4.479 -7.747 -5.934 393 HG21 VAL 49 3HG2 VAL 49 -6.686 -6.261 -8.652 394 HG22 VAL 49 1HG2 VAL 49 -6.561 -6.449 -6.900 395 HG23 VAL 49 2HG2 VAL 49 -6.867 -7.858 -7.920 396 H ILE 50 H ILE 50 -1.974 -4.982 -6.627 397 HA ILE 50 HA ILE 50 0.030 -6.120 -8.511 398 HB ILE 50 HB ILE 50 0.368 -3.978 -6.343 399 HG12 ILE 50 2HG1 ILE 50 0.336 -3.688 -9.378 400 HG13 ILE 50 3HG1 ILE 50 -0.857 -3.053 -8.246 401 HG21 ILE 50 1HG2 ILE 50 2.417 -5.297 -6.556 402 HG22 ILE 50 2HG2 ILE 50 2.673 -3.681 -7.211 403 HG23 ILE 50 3HG2 ILE 50 2.433 -5.044 -8.305 404 HD11 ILE 50 3HD1 ILE 50 0.827 -1.546 -7.310 405 HD12 ILE 50 1HD1 ILE 50 0.613 -1.306 -9.041 406 HD13 ILE 50 2HD1 ILE 50 2.029 -2.171 -8.447 407 H LYS 51 H LYS 51 0.481 -8.207 -7.732 408 HA LYS 51 HA LYS 51 0.683 -8.609 -4.809 409 HB2 LYS 51 2HB LYS 51 0.986 -10.705 -7.001 410 HB3 LYS 51 3HB LYS 51 0.814 -10.995 -5.272 411 HG2 LYS 51 2HG LYS 51 -1.507 -9.996 -5.420 412 HG3 LYS 51 3HG LYS 51 -1.304 -9.947 -7.178 413 HD2 LYS 51 2HD LYS 51 -0.880 -12.460 -7.089 414 HD3 LYS 51 3HD LYS 51 -1.352 -12.412 -5.387 415 HE2 LYS 51 2HE LYS 51 -3.267 -13.111 -6.679 416 HE3 LYS 51 3HE LYS 51 -3.581 -11.468 -6.119 417 HZ1 LYS 51 3HZ LYS 51 -2.975 -10.632 -8.294 418 HZ2 LYS 51 1HZ LYS 51 -4.184 -11.796 -8.456 419 HZ3 LYS 51 2HZ LYS 51 -2.595 -12.192 -8.837 420 H ASN 52 H ASN 52 2.669 -9.834 -4.015 421 HA ASN 52 HA ASN 52 5.087 -8.652 -4.992 422 HB2 ASN 52 2HB ASN 52 6.249 -10.014 -3.272 423 HB3 ASN 52 3HB ASN 52 4.875 -9.137 -2.618 424 HD21 ASN 52 1HD2 ASN 52 4.528 -10.432 -0.858 425 HD22 ASN 52 2HD2 ASN 52 4.030 -12.088 -0.954 426 H THR 53 H THR 53 3.323 -11.323 -6.089 427 HA THR 53 HA THR 53 5.545 -12.700 -7.369 428 HB THR 53 HB THR 53 3.686 -14.017 -8.477 429 HG1 THR 53 HG1 THR 53 1.878 -12.874 -8.511 430 HG21 THR 53 3HG2 THR 53 3.513 -13.850 -5.447 431 HG22 THR 53 1HG2 THR 53 4.682 -14.813 -6.358 432 HG23 THR 53 2HG2 THR 53 2.962 -15.202 -6.440 433 H ASP 54 H ASP 54 3.290 -10.135 -8.086 434 HA ASP 54 HA ASP 54 3.851 -10.096 -10.957 435 HB2 ASP 54 2HB ASP 54 2.243 -8.162 -9.228 436 HB3 ASP 54 3HB ASP 54 2.390 -8.070 -10.982 437 H GLU 55 H GLU 55 6.201 -9.953 -10.340 438 HA GLU 55 HA GLU 55 7.444 -7.714 -9.271 439 HB2 GLU 55 2HB GLU 55 8.596 -9.848 -9.823 440 HB3 GLU 55 3HB GLU 55 8.453 -9.486 -11.539 441 HG2 GLU 55 2HG GLU 55 10.713 -9.014 -10.779 442 HG3 GLU 55 3HG GLU 55 9.923 -7.501 -11.231 443 H ASN 56 H ASN 56 6.281 -8.302 -12.551 444 HA ASN 56 HA ASN 56 7.243 -6.152 -13.987 445 HB2 ASN 56 2HB ASN 56 6.011 -8.002 -15.030 446 HB3 ASN 56 3HB ASN 56 4.535 -7.561 -14.183 447 HD21 ASN 56 1HD2 ASN 56 3.283 -5.853 -14.973 448 HD22 ASN 56 2HD2 ASN 56 3.570 -5.122 -16.511 449 H LEU 57 H LEU 57 4.343 -6.283 -11.914 450 HA LEU 57 HA LEU 57 3.505 -3.595 -12.469 451 HB2 LEU 57 2HB LEU 57 2.647 -5.543 -10.312 452 HB3 LEU 57 3HB LEU 57 1.906 -3.971 -10.559 453 HG LEU 57 HG LEU 57 1.872 -6.297 -12.523 454 HD11 LEU 57 1HD1 LEU 57 0.393 -6.630 -10.611 455 HD12 LEU 57 2HD1 LEU 57 -0.533 -6.359 -12.084 456 HD13 LEU 57 3HD1 LEU 57 -0.367 -5.061 -10.896 457 HD21 LEU 57 3HD2 LEU 57 0.626 -3.542 -12.820 458 HD22 LEU 57 1HD2 LEU 57 0.375 -4.912 -13.909 459 HD23 LEU 57 2HD2 LEU 57 1.974 -4.186 -13.758 460 H ILE 58 H ILE 58 5.558 -5.092 -10.078 461 HA ILE 58 HA ILE 58 5.647 -2.958 -8.177 462 HB ILE 58 HB ILE 58 7.621 -5.239 -8.667 463 HG12 ILE 58 2HG1 ILE 58 5.362 -5.051 -6.617 464 HG13 ILE 58 3HG1 ILE 58 5.267 -5.950 -8.125 465 HG21 ILE 58 1HG2 ILE 58 8.405 -4.859 -6.350 466 HG22 ILE 58 2HG2 ILE 58 7.360 -3.442 -6.229 467 HG23 ILE 58 3HG2 ILE 58 8.702 -3.455 -7.376 468 HD11 ILE 58 3HD1 ILE 58 7.077 -7.407 -7.369 469 HD12 ILE 58 1HD1 ILE 58 5.699 -7.421 -6.269 470 HD13 ILE 58 2HD1 ILE 58 7.152 -6.516 -5.845 471 H ASN 59 H ASN 59 7.757 -3.918 -10.913 472 HA ASN 59 HA ASN 59 9.828 -2.107 -10.654 473 HB2 ASN 59 2HB ASN 59 8.630 -3.418 -13.105 474 HB3 ASN 59 3HB ASN 59 9.955 -2.273 -13.280 475 HD21 ASN 59 1HD2 ASN 59 9.078 -5.471 -12.399 476 HD22 ASN 59 2HD2 ASN 59 10.668 -6.038 -12.057 477 H HIS 60 H HIS 60 6.654 -1.541 -12.114 478 HA HIS 60 HA HIS 60 7.437 1.236 -12.824 479 HB2 HIS 60 2HB HIS 60 5.439 1.305 -14.259 480 HB3 HIS 60 3HB HIS 60 6.495 -0.023 -14.682 481 HD1 HIS 60 HD1 HIS 60 5.215 -1.946 -15.392 482 HD2 HIS 60 HD2 HIS 60 3.217 0.159 -12.416 483 HE1 HIS 60 HE1 HIS 60 3.001 -3.084 -15.121 484 HE2 HIS 60 HE2 HIS 60 1.739 -1.646 -13.497 485 H SER 61 H SER 61 6.845 0.322 -10.066 486 HA SER 61 HA SER 61 5.266 2.668 -9.363 487 HB2 SER 61 2HB SER 61 3.548 0.842 -9.450 488 HB3 SER 61 3HB SER 61 4.495 -0.095 -8.293 489 HG SER 61 HG SER 61 3.199 2.394 -7.889 490 H LYS 62 H LYS 62 6.997 3.625 -8.411 491 HA LYS 62 HA LYS 62 9.024 2.490 -6.869 492 HB2 LYS 62 2HB LYS 62 9.257 4.758 -7.726 493 HB3 LYS 62 3HB LYS 62 7.853 5.307 -6.816 494 HG2 LYS 62 2HG LYS 62 9.103 4.919 -4.685 495 HG3 LYS 62 3HG LYS 62 10.516 4.416 -5.617 496 HD2 LYS 62 2HD LYS 62 9.218 7.165 -5.755 497 HD3 LYS 62 3HD LYS 62 10.645 6.771 -4.793 498 HE2 LYS 62 2HE LYS 62 10.439 6.637 -7.824 499 HE3 LYS 62 3HE LYS 62 11.290 7.865 -6.886 500 HZ1 LYS 62 3HZ LYS 62 11.973 4.981 -7.040 501 HZ2 LYS 62 1HZ LYS 62 12.749 6.094 -6.038 502 HZ3 LYS 62 2HZ LYS 62 12.846 6.259 -7.716 503 H LEU 63 H LEU 63 5.833 3.709 -5.987 504 HA LEU 63 HA LEU 63 6.032 3.647 -3.195 505 HB2 LEU 63 2HB LEU 63 4.211 4.744 -4.538 506 HB3 LEU 63 3HB LEU 63 3.560 3.155 -4.905 507 HG LEU 63 HG LEU 63 3.093 2.789 -2.479 508 HD11 LEU 63 1HD1 LEU 63 3.294 4.617 -0.872 509 HD12 LEU 63 2HD1 LEU 63 4.070 5.631 -2.092 510 HD13 LEU 63 3HD1 LEU 63 4.866 4.161 -1.520 511 HD21 LEU 63 3HD2 LEU 63 1.327 3.723 -3.906 512 HD22 LEU 63 1HD2 LEU 63 1.881 5.361 -3.546 513 HD23 LEU 63 2HD2 LEU 63 1.216 4.345 -2.261 514 H ALA 64 H ALA 64 4.969 1.127 -5.524 515 HA ALA 64 HA ALA 64 4.351 -0.897 -3.660 516 HB1 ALA 64 3HB ALA 64 5.282 -1.216 -6.531 517 HB2 ALA 64 1HB ALA 64 3.615 -0.962 -6.009 518 HB3 ALA 64 2HB ALA 64 4.462 -2.444 -5.557 519 H GLN 65 H GLN 65 7.345 -0.138 -5.419 520 HA GLN 65 HA GLN 65 8.952 -2.291 -4.661 521 HB2 GLN 65 2HB GLN 65 9.771 0.600 -5.209 522 HB3 GLN 65 3HB GLN 65 10.906 -0.746 -5.081 523 HG2 GLN 65 2HG GLN 65 9.798 -1.840 -7.009 524 HG3 GLN 65 3HG GLN 65 8.711 -0.461 -7.151 525 HE21 GLN 65 1HE2 GLN 65 10.597 -1.529 -9.094 526 HE22 GLN 65 2HE2 GLN 65 11.665 -0.230 -9.489 527 H GLN 66 H GLN 66 8.570 0.882 -3.105 528 HA GLN 66 HA GLN 66 10.348 0.456 -0.962 529 HB2 GLN 66 2HB GLN 66 8.079 2.443 -1.381 530 HB3 GLN 66 3HB GLN 66 9.168 2.504 0.003 531 HG2 GLN 66 2HG GLN 66 10.038 2.728 -2.895 532 HG3 GLN 66 3HG GLN 66 9.783 4.090 -1.809 533 HE21 GLN 66 1HE2 GLN 66 10.973 2.910 0.529 534 HE22 GLN 66 2HE2 GLN 66 12.673 2.811 0.238 535 H ILE 67 H ILE 67 6.782 -0.023 -1.222 536 HA ILE 67 HA ILE 67 6.322 -0.539 1.521 537 HB ILE 67 HB ILE 67 4.749 -1.339 -0.966 538 HG12 ILE 67 2HG1 ILE 67 4.174 0.751 1.192 539 HG13 ILE 67 3HG1 ILE 67 4.825 1.100 -0.404 540 HG21 ILE 67 1HG2 ILE 67 3.929 -1.769 1.928 541 HG22 ILE 67 2HG2 ILE 67 4.229 -3.025 0.724 542 HG23 ILE 67 3HG2 ILE 67 2.854 -1.936 0.541 543 HD11 ILE 67 3HD1 ILE 67 2.085 -0.010 0.204 544 HD12 ILE 67 1HD1 ILE 67 2.742 0.264 -1.414 545 HD13 ILE 67 2HD1 ILE 67 2.482 1.626 -0.327 546 H PHE 68 H PHE 68 6.846 -2.819 -1.221 547 HA PHE 68 HA PHE 68 6.798 -5.175 0.373 548 HB2 PHE 68 2HB PHE 68 7.900 -4.670 -2.417 549 HB3 PHE 68 3HB PHE 68 7.910 -6.259 -1.664 550 HD1 PHE 68 HD1 PHE 68 5.422 -6.831 -0.559 551 HD2 PHE 68 HD2 PHE 68 6.179 -4.388 -3.995 552 HE1 PHE 68 HE1 PHE 68 3.162 -7.314 -1.411 553 HE2 PHE 68 HE2 PHE 68 3.916 -4.874 -4.830 554 HZ PHE 68 HZ PHE 68 2.408 -6.339 -3.543 555 H LEU 69 H LEU 69 9.409 -2.939 -0.484 556 HA LEU 69 HA LEU 69 11.603 -4.606 0.257 557 HB2 LEU 69 2HB LEU 69 11.857 -2.650 -1.229 558 HB3 LEU 69 3HB LEU 69 11.370 -1.579 0.071 559 HG LEU 69 HG LEU 69 13.464 -2.193 1.327 560 HD11 LEU 69 1HD1 LEU 69 15.281 -3.367 0.179 561 HD12 LEU 69 2HD1 LEU 69 14.215 -3.706 -1.188 562 HD13 LEU 69 3HD1 LEU 69 13.874 -4.406 0.399 563 HD21 LEU 69 3HD2 LEU 69 13.395 -0.159 -0.040 564 HD22 LEU 69 1HD2 LEU 69 13.930 -1.068 -1.457 565 HD23 LEU 69 2HD2 LEU 69 15.003 -0.878 -0.068 566 H GLN 70 H GLN 70 9.969 -1.892 1.927 567 HA GLN 70 HA GLN 70 11.445 -2.161 4.368 568 HB2 GLN 70 2HB GLN 70 8.897 -0.609 3.709 569 HB3 GLN 70 3HB GLN 70 9.726 -0.512 5.266 570 HG2 GLN 70 2HG GLN 70 11.728 0.388 4.177 571 HG3 GLN 70 3HG GLN 70 10.964 0.230 2.594 572 HE21 GLN 70 1HE2 GLN 70 11.266 2.450 2.223 573 HE22 GLN 70 2HE2 GLN 70 10.285 3.651 2.988 574 H CYS 71 H CYS 71 8.454 -3.542 3.139 575 HA CYS 71 HA CYS 71 8.042 -4.972 5.690 576 HB2 CYS 71 2HB CYS 71 5.824 -3.796 3.970 577 HB3 CYS 71 3HB CYS 71 5.648 -4.634 5.513 578 HG CYS 71 HG CYS 71 7.307 -1.662 5.168 579 HA PRO 72 HA PRO 72 8.234 -8.114 2.274 580 HB2 PRO 72 2HB PRO 72 9.448 -10.082 3.727 581 HB3 PRO 72 3HB PRO 72 10.354 -8.714 3.046 582 HG2 PRO 72 2HG PRO 72 9.354 -9.084 5.860 583 HG3 PRO 72 3HG PRO 72 10.946 -8.527 5.296 584 HD2 PRO 72 2HD PRO 72 8.998 -6.794 6.115 585 HD3 PRO 72 3HD PRO 72 10.199 -6.367 4.874 586 H GLY 73 H GLY 73 6.587 -7.972 5.280 587 HA2 GLY 73 2HA GLY 73 5.254 -10.546 5.138 588 HA3 GLY 73 3HA GLY 73 4.945 -9.255 6.287 589 H VAL 74 H VAL 74 4.840 -7.692 3.459 590 HA VAL 74 HA VAL 74 1.964 -7.657 3.247 591 HB VAL 74 HB VAL 74 4.108 -6.326 1.522 592 HG11 VAL 74 1HG1 VAL 74 1.114 -5.799 1.574 593 HG12 VAL 74 2HG1 VAL 74 2.006 -6.562 0.254 594 HG13 VAL 74 3HG1 VAL 74 2.310 -4.871 0.663 595 HG21 VAL 74 3HG2 VAL 74 2.388 -5.163 3.747 596 HG22 VAL 74 1HG2 VAL 74 3.549 -4.266 2.762 597 HG23 VAL 74 2HG2 VAL 74 4.112 -5.530 3.860 598 H GLU 75 H GLU 75 0.798 -9.024 2.066 599 HA GLU 75 HA GLU 75 1.917 -11.049 0.350 600 HB2 GLU 75 2HB GLU 75 -1.031 -10.306 0.656 601 HB3 GLU 75 3HB GLU 75 -0.363 -11.853 0.141 602 HG2 GLU 75 2HG GLU 75 -0.146 -10.659 2.916 603 HG3 GLU 75 3HG GLU 75 -1.279 -11.915 2.434 604 H SER 76 H SER 76 -0.089 -8.154 -0.038 605 HA SER 76 HA SER 76 0.536 -7.772 -2.812 606 HB2 SER 76 2HB SER 76 -1.073 -9.649 -3.023 607 HB3 SER 76 3HB SER 76 -2.265 -8.760 -2.078 608 HG SER 76 HG SER 76 -1.290 -7.432 -4.303 609 H LEU 77 H LEU 77 -0.249 -5.808 -3.576 610 HA LEU 77 HA LEU 77 -1.631 -3.959 -1.768 611 HB2 LEU 77 2HB LEU 77 -0.177 -3.314 -4.373 612 HB3 LEU 77 3HB LEU 77 -0.705 -2.182 -3.132 613 HG LEU 77 HG LEU 77 1.556 -4.200 -2.873 614 HD11 LEU 77 1HD1 LEU 77 2.125 -2.342 -4.330 615 HD12 LEU 77 2HD1 LEU 77 3.017 -2.240 -2.815 616 HD13 LEU 77 3HD1 LEU 77 1.629 -1.181 -3.093 617 HD21 LEU 77 3HD2 LEU 77 0.637 -2.127 -0.869 618 HD22 LEU 77 1HD2 LEU 77 2.049 -3.175 -0.725 619 HD23 LEU 77 2HD2 LEU 77 0.433 -3.875 -0.719 620 H MET 78 H MET 78 -3.390 -2.727 -2.683 621 HA MET 78 HA MET 78 -4.301 -3.434 -5.402 622 HB2 MET 78 2HB MET 78 -5.685 -4.734 -3.772 623 HB3 MET 78 3HB MET 78 -6.162 -3.234 -2.983 624 HG2 MET 78 2HG MET 78 -7.313 -2.493 -4.998 625 HG3 MET 78 3HG MET 78 -6.736 -3.905 -5.883 626 HE1 MET 78 3HE MET 78 -8.753 -6.802 -4.134 627 HE2 MET 78 1HE MET 78 -7.104 -6.281 -3.801 628 HE3 MET 78 2HE MET 78 -7.672 -6.406 -5.469 629 H ILE 79 H ILE 79 -4.274 -1.620 -6.519 630 HA ILE 79 HA ILE 79 -4.167 0.991 -5.219 631 HB ILE 79 HB ILE 79 -3.838 0.285 -8.179 632 HG12 ILE 79 2HG1 ILE 79 -2.104 -0.866 -6.754 633 HG13 ILE 79 3HG1 ILE 79 -1.422 0.286 -7.888 634 HG21 ILE 79 1HG2 ILE 79 -2.727 2.494 -8.371 635 HG22 ILE 79 2HG2 ILE 79 -3.063 2.813 -6.666 636 HG23 ILE 79 3HG2 ILE 79 -4.396 2.649 -7.813 637 HD11 ILE 79 3HD1 ILE 79 -0.312 0.354 -5.744 638 HD12 ILE 79 1HD1 ILE 79 -1.832 0.745 -4.947 639 HD13 ILE 79 2HD1 ILE 79 -1.111 1.892 -6.079 640 H GLY 80 H GLY 80 -6.026 2.085 -5.026 641 HA2 GLY 80 2HA GLY 80 -8.295 1.516 -6.863 642 HA3 GLY 80 3HA GLY 80 -8.435 2.121 -5.215 643 H ASP 81 H ASP 81 -9.819 3.671 -6.411 644 HA ASP 81 HA ASP 81 -8.601 5.810 -7.878 645 HB2 ASP 81 2HB ASP 81 -11.237 5.907 -6.319 646 HB3 ASP 81 3HB ASP 81 -10.750 6.956 -7.651 647 H ASP 82 H ASP 82 -10.255 5.929 -4.766 648 HA ASP 82 HA ASP 82 -8.685 8.183 -3.800 649 HB2 ASP 82 2HB ASP 82 -10.401 8.195 -1.964 650 HB3 ASP 82 3HB ASP 82 -11.132 8.256 -3.565 651 H PHE 83 H PHE 83 -8.613 4.782 -3.555 652 HA PHE 83 HA PHE 83 -7.521 4.828 -0.808 653 HB2 PHE 83 2HB PHE 83 -8.640 2.698 -0.390 654 HB3 PHE 83 3HB PHE 83 -9.808 3.916 -0.880 655 HD1 PHE 83 HD2 PHE 83 -10.813 3.819 -3.211 656 HD2 PHE 83 HD1 PHE 83 -8.345 0.670 -1.684 657 HE1 PHE 83 HE2 PHE 83 -11.693 2.287 -4.930 658 HE2 PHE 83 HE1 PHE 83 -9.227 -0.846 -3.407 659 HZ PHE 83 HZ PHE 83 -10.901 -0.045 -5.026 660 H LEU 84 H LEU 84 -6.106 3.178 -0.224 661 HA LEU 84 HA LEU 84 -4.943 1.444 -2.299 662 HB2 LEU 84 2HB LEU 84 -3.347 3.257 -2.040 663 HB3 LEU 84 3HB LEU 84 -3.434 3.172 -0.289 664 HG LEU 84 HG LEU 84 -2.247 1.009 -0.297 665 HD11 LEU 84 1HD1 LEU 84 -2.160 1.246 -3.311 666 HD12 LEU 84 2HD1 LEU 84 -3.065 0.052 -2.375 667 HD13 LEU 84 3HD1 LEU 84 -1.303 0.043 -2.341 668 HD21 LEU 84 3HD2 LEU 84 -0.808 3.088 -1.969 669 HD22 LEU 84 1HD2 LEU 84 -0.050 1.777 -1.056 670 HD23 LEU 84 2HD2 LEU 84 -0.915 3.055 -0.206 671 H THR 85 H THR 85 -5.476 -0.533 -1.636 672 HA THR 85 HA THR 85 -5.939 -1.096 1.212 673 HB THR 85 HB THR 85 -6.688 -2.764 -1.235 674 HG1 THR 85 HG1 THR 85 -7.728 -0.584 -0.829 675 HG21 THR 85 3HG2 THR 85 -8.205 -3.946 0.340 676 HG22 THR 85 1HG2 THR 85 -7.589 -2.974 1.669 677 HG23 THR 85 2HG2 THR 85 -6.517 -4.117 0.845 678 H ILE 86 H ILE 86 -4.133 -1.769 2.207 679 HA ILE 86 HA ILE 86 -2.091 -3.343 0.812 680 HB ILE 86 HB ILE 86 -2.082 -2.409 3.715 681 HG12 ILE 86 2HG1 ILE 86 -2.255 -0.432 2.220 682 HG13 ILE 86 3HG1 ILE 86 -0.707 -0.489 3.050 683 HG21 ILE 86 1HG2 ILE 86 0.362 -2.757 3.580 684 HG22 ILE 86 2HG2 ILE 86 0.196 -3.323 1.917 685 HG23 ILE 86 3HG2 ILE 86 -0.519 -4.248 3.240 686 HD11 ILE 86 3HD1 ILE 86 0.346 -1.312 1.002 687 HD12 ILE 86 1HD1 ILE 86 -0.462 0.239 0.779 688 HD13 ILE 86 2HD1 ILE 86 -1.219 -1.236 0.182 689 H ASN 87 H ASN 87 -1.991 -5.481 1.014 690 HA ASN 87 HA ASN 87 -3.624 -6.952 2.994 691 HB2 ASN 87 2HB ASN 87 -2.453 -7.925 0.333 692 HB3 ASN 87 3HB ASN 87 -3.476 -8.862 1.418 693 HD21 ASN 87 1HD2 ASN 87 -3.412 -6.134 -0.816 694 HD22 ASN 87 2HD2 ASN 87 -5.113 -6.097 -1.107 695 H LYS 88 H LYS 88 -2.502 -8.046 4.540 696 HA LYS 88 HA LYS 88 0.266 -8.957 4.062 697 HB2 LYS 88 2HB LYS 88 0.762 -8.177 6.536 698 HB3 LYS 88 3HB LYS 88 0.886 -7.021 5.220 699 HG2 LYS 88 2HG LYS 88 -0.182 -5.960 7.094 700 HG3 LYS 88 3HG LYS 88 -1.351 -6.137 5.791 701 HD2 LYS 88 2HD LYS 88 -2.531 -6.652 7.781 702 HD3 LYS 88 3HD LYS 88 -2.218 -8.210 7.020 703 HE2 LYS 88 2HE LYS 88 -1.800 -8.469 9.353 704 HE3 LYS 88 3HE LYS 88 -0.218 -8.433 8.575 705 HZ1 LYS 88 3HZ LYS 88 -0.053 -6.072 9.212 706 HZ2 LYS 88 1HZ LYS 88 -0.220 -7.093 10.555 707 HZ3 LYS 88 2HZ LYS 88 -1.536 -6.192 10.012 708 H ASP 89 H ASP 89 0.972 -10.486 5.882 709 HA ASP 89 HA ASP 89 -1.197 -12.317 6.560 710 HB2 ASP 89 2HB ASP 89 0.989 -13.200 5.760 711 HB3 ASP 89 3HB ASP 89 1.786 -12.517 7.177 712 H ARG 90 H ARG 90 -2.055 -12.610 8.578 713 HA ARG 90 HA ARG 90 -2.228 -10.473 10.333 714 HB2 ARG 90 2HB ARG 90 -3.425 -12.004 11.893 715 HB3 ARG 90 3HB ARG 90 -4.003 -12.121 10.236 716 HG2 ARG 90 2HG ARG 90 -2.979 -14.237 9.902 717 HG3 ARG 90 3HG ARG 90 -1.974 -14.078 11.344 718 HD2 ARG 90 2HD ARG 90 -3.874 -15.678 11.603 719 HD3 ARG 90 3HD ARG 90 -3.873 -14.375 12.788 720 HE ARG 90 HE ARG 90 -5.560 -13.329 11.100 721 HH11 ARG 90 1HH1 ARG 90 -5.433 -16.728 12.060 722 HH12 ARG 90 2HH1 ARG 90 -7.126 -16.971 11.809 723 HH21 ARG 90 1HH2 ARG 90 -7.760 -13.671 10.787 724 HH22 ARG 90 2HH2 ARG 90 -8.449 -15.227 11.082 725 H MET 91 H MET 91 0.051 -13.182 10.488 726 HA MET 91 HA MET 91 0.742 -12.922 13.240 727 HB2 MET 91 2HB MET 91 2.230 -14.199 10.904 728 HB3 MET 91 3HB MET 91 2.766 -14.308 12.578 729 HG2 MET 91 2HG MET 91 0.751 -15.520 13.198 730 HG3 MET 91 3HG MET 91 0.090 -15.319 11.574 731 HE1 MET 91 3HE MET 91 3.842 -17.902 12.449 732 HE2 MET 91 1HE MET 91 3.019 -16.966 13.693 733 HE3 MET 91 2HE MET 91 3.906 -16.140 12.409 734 H VAL 92 H VAL 92 1.768 -11.252 10.356 735 HA VAL 92 HA VAL 92 3.945 -9.819 11.717 736 HB VAL 92 HB VAL 92 2.859 -9.280 8.903 737 HG11 VAL 92 1HG1 VAL 92 4.241 -7.479 9.883 738 HG12 VAL 92 2HG1 VAL 92 5.067 -8.246 8.525 739 HG13 VAL 92 3HG1 VAL 92 5.548 -8.632 10.178 740 HG21 VAL 92 3HG2 VAL 92 5.125 -11.170 9.666 741 HG22 VAL 92 1HG2 VAL 92 4.684 -10.702 8.019 742 HG23 VAL 92 2HG2 VAL 92 3.558 -11.644 9.000 743 H HIS 93 H HIS 93 3.708 -7.669 12.401 744 HA HIS 93 HA HIS 93 0.932 -6.820 12.838 745 HB2 HIS 93 2HB HIS 93 3.537 -5.816 14.077 746 HB3 HIS 93 3HB HIS 93 1.920 -5.297 14.547 747 HD1 HIS 93 HD1 HIS 93 4.463 -7.509 15.623 748 HD2 HIS 93 HD2 HIS 93 0.323 -7.758 15.410 749 HE1 HIS 93 HE1 HIS 93 3.819 -9.367 17.183 750 HE2 HIS 93 HE2 HIS 93 1.309 -9.471 17.064 751 H TRP 94 H TRP 94 0.152 -4.769 12.351 752 HA TRP 94 HA TRP 94 1.270 -3.228 10.217 753 HB2 TRP 94 2HB TRP 94 -0.938 -2.576 12.215 754 HB3 TRP 94 3HB TRP 94 -0.468 -1.484 10.919 755 HD1 TRP 94 HD1 TRP 94 -2.734 -4.333 11.650 756 HE1 TRP 94 HE1 TRP 94 -3.959 -5.071 9.518 757 HE3 TRP 94 HE3 TRP 94 0.047 -1.789 8.181 758 HZ2 TRP 94 HZ2 TRP 94 -3.787 -4.641 6.757 759 HZ3 TRP 94 HZ3 TRP 94 -0.563 -2.008 5.805 760 HH2 TRP 94 HH2 TRP 94 -2.445 -3.411 5.118 761 H ASN 95 H ASN 95 1.917 -3.370 13.568 762 HA ASN 95 HA ASN 95 2.754 -0.797 14.225 763 HB2 ASN 95 2HB ASN 95 2.457 -2.620 15.861 764 HB3 ASN 95 3HB ASN 95 3.826 -3.492 15.183 765 HD21 ASN 95 1HD2 ASN 95 2.842 -0.684 17.062 766 HD22 ASN 95 2HD2 ASN 95 4.385 -0.386 17.788 767 H SER 96 H SER 96 4.371 -3.274 12.321 768 HA SER 96 HA SER 96 6.817 -1.635 12.048 769 HB2 SER 96 2HB SER 96 7.082 -4.051 12.714 770 HB3 SER 96 3HB SER 96 6.368 -4.522 11.174 771 HG SER 96 HG SER 96 8.144 -3.239 10.211 772 H ILE 97 H ILE 97 3.887 -2.371 10.374 773 HA ILE 97 HA ILE 97 5.105 -2.142 7.690 774 HB ILE 97 HB ILE 97 2.345 -3.131 8.557 775 HG12 ILE 97 2HG1 ILE 97 4.721 -4.660 7.403 776 HG13 ILE 97 3HG1 ILE 97 4.158 -4.732 9.071 777 HG21 ILE 97 1HG2 ILE 97 3.492 -3.041 5.744 778 HG22 ILE 97 2HG2 ILE 97 2.176 -2.040 6.361 779 HG23 ILE 97 3HG2 ILE 97 1.955 -3.781 6.213 780 HD11 ILE 97 3HD1 ILE 97 2.044 -5.721 8.297 781 HD12 ILE 97 1HD1 ILE 97 3.449 -6.686 7.853 782 HD13 ILE 97 2HD1 ILE 97 2.649 -5.693 6.637 783 H LYS 98 H LYS 98 2.230 -0.987 9.479 784 HA LYS 98 HA LYS 98 1.221 0.702 7.509 785 HB2 LYS 98 2HB LYS 98 -0.127 -0.276 9.287 786 HB3 LYS 98 3HB LYS 98 0.691 0.704 10.495 787 HG2 LYS 98 2HG LYS 98 -0.343 2.717 9.692 788 HG3 LYS 98 3HG LYS 98 -0.923 1.905 8.239 789 HD2 LYS 98 2HD LYS 98 -2.734 2.267 9.878 790 HD3 LYS 98 3HD LYS 98 -2.476 0.554 9.543 791 HE2 LYS 98 2HE LYS 98 -2.864 0.950 11.933 792 HE3 LYS 98 3HE LYS 98 -1.237 0.326 11.673 793 HZ1 LYS 98 3HZ LYS 98 -1.332 2.166 13.267 794 HZ2 LYS 98 1HZ LYS 98 -1.926 3.186 12.062 795 HZ3 LYS 98 2HZ LYS 98 -0.370 2.544 11.931 796 HA PRO 99 HA PRO 99 3.115 4.622 9.893 797 HB2 PRO 99 2HB PRO 99 5.626 4.165 11.046 798 HB3 PRO 99 3HB PRO 99 4.099 4.184 11.954 799 HG2 PRO 99 2HG PRO 99 5.617 1.822 10.882 800 HG3 PRO 99 3HG PRO 99 4.858 2.038 12.478 801 HD2 PRO 99 2HD PRO 99 3.631 0.597 10.593 802 HD3 PRO 99 3HD PRO 99 2.687 1.672 11.645 803 H GLU 100 H GLU 100 5.208 2.110 8.553 804 HA GLU 100 HA GLU 100 7.028 3.792 7.191 805 HB2 GLU 100 2HB GLU 100 6.281 0.923 6.492 806 HB3 GLU 100 3HB GLU 100 7.769 1.762 6.059 807 HG2 GLU 100 2HG GLU 100 6.890 0.841 8.807 808 HG3 GLU 100 3HG GLU 100 8.257 0.256 7.864 809 H ILE 101 H ILE 101 4.072 2.081 6.192 810 HA ILE 101 HA ILE 101 4.139 2.823 3.456 811 HB ILE 101 HB ILE 101 1.866 1.788 5.209 812 HG12 ILE 101 2HG1 ILE 101 3.675 0.447 3.148 813 HG13 ILE 101 3HG1 ILE 101 3.701 0.189 4.889 814 HG21 ILE 101 1HG2 ILE 101 0.854 3.039 3.336 815 HG22 ILE 101 2HG2 ILE 101 0.590 1.306 3.138 816 HG23 ILE 101 3HG2 ILE 101 1.830 2.124 2.184 817 HD11 ILE 101 3HD1 ILE 101 2.657 -1.659 3.798 818 HD12 ILE 101 1HD1 ILE 101 1.509 -0.599 2.982 819 HD13 ILE 101 2HD1 ILE 101 1.446 -0.789 4.738 820 H ILE 102 H ILE 102 2.322 4.208 6.253 821 HA ILE 102 HA ILE 102 0.893 6.177 4.855 822 HB ILE 102 HB ILE 102 1.856 6.113 7.748 823 HG12 ILE 102 2HG1 ILE 102 -0.878 5.621 6.477 824 HG13 ILE 102 3HG1 ILE 102 0.192 4.390 7.139 825 HG21 ILE 102 1HG2 ILE 102 0.291 7.971 8.245 826 HG22 ILE 102 2HG2 ILE 102 -0.042 8.147 6.521 827 HG23 ILE 102 3HG2 ILE 102 1.574 8.481 7.144 828 HD11 ILE 102 3HD1 ILE 102 -0.094 5.374 9.372 829 HD12 ILE 102 1HD1 ILE 102 -1.613 4.837 8.661 830 HD13 ILE 102 2HD1 ILE 102 -1.218 6.557 8.693 831 H ASP 103 H ASP 103 4.155 6.228 6.266 832 HA ASP 103 HA ASP 103 4.799 8.939 5.728 833 HB2 ASP 103 2HB ASP 103 6.084 7.511 7.315 834 HB3 ASP 103 3HB ASP 103 6.675 6.541 5.971 835 H LEU 104 H LEU 104 5.248 5.953 3.830 836 HA LEU 104 HA LEU 104 6.582 7.060 1.594 837 HB2 LEU 104 2HB LEU 104 4.827 4.587 1.864 838 HB3 LEU 104 3HB LEU 104 5.718 4.973 0.399 839 HG LEU 104 HG LEU 104 7.029 4.493 3.102 840 HD11 LEU 104 1HD1 LEU 104 5.951 2.439 2.348 841 HD12 LEU 104 2HD1 LEU 104 7.705 2.298 2.252 842 HD13 LEU 104 3HD1 LEU 104 6.758 2.560 0.782 843 HD21 LEU 104 3HD2 LEU 104 9.111 4.329 1.812 844 HD22 LEU 104 1HD2 LEU 104 8.363 5.914 1.634 845 HD23 LEU 104 2HD2 LEU 104 8.239 4.727 0.331 846 H LEU 105 H LEU 105 3.142 6.692 2.358 847 HA LEU 105 HA LEU 105 2.110 7.637 -0.124 848 HB2 LEU 105 2HB LEU 105 0.937 7.132 2.608 849 HB3 LEU 105 3HB LEU 105 0.027 8.157 1.517 850 HG LEU 105 HG LEU 105 -0.216 6.353 -0.105 851 HD11 LEU 105 1HD1 LEU 105 1.452 4.614 1.714 852 HD12 LEU 105 2HD1 LEU 105 1.936 5.243 0.139 853 HD13 LEU 105 3HD1 LEU 105 0.610 4.094 0.253 854 HD21 LEU 105 3HD2 LEU 105 -1.862 6.460 1.704 855 HD22 LEU 105 1HD2 LEU 105 -0.874 5.378 2.690 856 HD23 LEU 105 2HD2 LEU 105 -1.605 4.794 1.190 857 H THR 106 H THR 106 3.244 9.199 2.825 858 HA THR 106 HA THR 106 2.103 11.786 2.330 859 HB THR 106 HB THR 106 4.413 10.953 4.150 860 HG1 THR 106 HG1 THR 106 1.993 10.217 4.352 861 HG21 THR 106 3HG2 THR 106 2.720 13.488 4.241 862 HG22 THR 106 1HG2 THR 106 4.420 13.410 3.746 863 HG23 THR 106 2HG2 THR 106 3.963 13.033 5.406 864 H LYS 107 H LYS 107 5.154 10.123 1.604 865 HA LYS 107 HA LYS 107 6.564 12.369 0.547 866 HB2 LYS 107 2HB LYS 107 6.957 9.373 0.083 867 HB3 LYS 107 3HB LYS 107 8.056 10.614 -0.517 868 HG2 LYS 107 2HG LYS 107 7.469 9.984 2.393 869 HG3 LYS 107 3HG LYS 107 8.950 9.597 1.508 870 HD2 LYS 107 2HD LYS 107 9.364 12.041 1.196 871 HD3 LYS 107 3HD LYS 107 7.913 12.390 2.144 872 HE2 LYS 107 2HE LYS 107 10.426 10.994 3.131 873 HE3 LYS 107 3HE LYS 107 9.894 12.623 3.543 874 HZ1 LYS 107 3HZ LYS 107 9.380 11.093 5.315 875 HZ2 LYS 107 1HZ LYS 107 8.502 10.096 4.273 876 HZ3 LYS 107 2HZ LYS 107 7.946 11.647 4.629 877 H GLN 108 H GLN 108 4.850 9.653 -1.020 878 HA GLN 108 HA GLN 108 5.329 10.322 -3.691 879 HB2 GLN 108 2HB GLN 108 4.573 8.093 -2.726 880 HB3 GLN 108 3HB GLN 108 2.952 8.745 -2.586 881 HG2 GLN 108 2HG GLN 108 4.388 8.566 -5.251 882 HG3 GLN 108 3HG GLN 108 3.486 7.209 -4.592 883 HE21 GLN 108 1HE2 GLN 108 1.328 8.846 -3.489 884 HE22 GLN 108 2HE2 GLN 108 0.416 9.432 -4.830 885 H LEU 109 H LEU 109 2.558 11.150 -1.601 886 HA LEU 109 HA LEU 109 1.091 12.578 -3.607 887 HB2 LEU 109 2HB LEU 109 0.829 12.561 -0.583 888 HB3 LEU 109 3HB LEU 109 -0.302 13.372 -1.655 889 HG LEU 109 HG LEU 109 0.202 10.363 -1.595 890 HD11 LEU 109 1HD1 LEU 109 -0.906 11.106 0.442 891 HD12 LEU 109 2HD1 LEU 109 -2.022 10.188 -0.566 892 HD13 LEU 109 3HD1 LEU 109 -2.139 11.951 -0.499 893 HD21 LEU 109 3HD2 LEU 109 -1.790 10.197 -3.035 894 HD22 LEU 109 1HD2 LEU 109 -0.480 11.074 -3.818 895 HD23 LEU 109 2HD2 LEU 109 -1.858 11.956 -3.153 896 H ALA 110 H ALA 110 3.459 13.542 -1.106 897 HA ALA 110 HA ALA 110 3.150 16.374 -1.364 898 HB1 ALA 110 3HB ALA 110 4.235 15.362 0.605 899 HB2 ALA 110 1HB ALA 110 5.289 16.555 -0.160 900 HB3 ALA 110 2HB ALA 110 5.585 14.827 -0.398 901 H TYR 111 H TYR 111 5.026 13.986 -3.103 902 HA TYR 111 HA TYR 111 6.523 15.824 -4.712 903 HB2 TYR 111 2HB TYR 111 5.829 12.891 -5.155 904 HB3 TYR 111 3HB TYR 111 6.993 13.797 -6.113 905 HD1 TYR 111 HD2 TYR 111 8.293 15.326 -3.736 906 HD2 TYR 111 HD1 TYR 111 7.316 11.202 -4.318 907 HE1 TYR 111 HE2 TYR 111 10.067 14.676 -2.159 908 HE2 TYR 111 HE1 TYR 111 9.088 10.559 -2.744 909 HH TYR 111 HH TYR 111 11.160 11.462 -1.810 910 H GLY 112 H GLY 112 3.400 14.231 -4.914 911 HA2 GLY 112 2HA GLY 112 1.540 14.670 -6.167 912 HA3 GLY 112 3HA GLY 112 2.360 16.063 -6.863 913 H GLU 113 H GLU 113 3.431 12.701 -6.903 914 HA GLU 113 HA GLU 113 3.573 12.764 -9.848 915 HB2 GLU 113 2HB GLU 113 5.193 10.904 -9.602 916 HB3 GLU 113 3HB GLU 113 5.690 12.326 -8.690 917 HG2 GLU 113 2HG GLU 113 4.942 11.291 -6.602 918 HG3 GLU 113 3HG GLU 113 4.344 9.887 -7.488 919 H ASP 114 H ASP 114 3.414 10.353 -10.751 920 HA ASP 114 HA ASP 114 0.784 9.315 -10.038 921 HB2 ASP 114 2HB ASP 114 0.992 7.930 -12.060 922 HB3 ASP 114 3HB ASP 114 1.376 9.605 -12.429 923 H VAL 115 H VAL 115 0.398 7.341 -9.103 924 HA VAL 115 HA VAL 115 2.528 5.878 -7.827 925 HB VAL 115 HB VAL 115 0.355 6.026 -6.708 926 HG11 VAL 115 1HG1 VAL 115 -0.823 4.446 -9.015 927 HG12 VAL 115 2HG1 VAL 115 -1.140 6.142 -8.643 928 HG13 VAL 115 3HG1 VAL 115 -1.669 4.882 -7.524 929 HG21 VAL 115 3HG2 VAL 115 1.730 4.047 -6.211 930 HG22 VAL 115 1HG2 VAL 115 0.942 3.151 -7.514 931 HG23 VAL 115 2HG2 VAL 115 0.013 3.656 -6.099 932 H ILE 116 H ILE 116 0.462 5.456 -10.662 933 HA ILE 116 HA ILE 116 2.271 3.432 -11.808 934 HB ILE 116 HB ILE 116 -0.778 3.168 -11.691 935 HG12 ILE 116 2HG1 ILE 116 1.380 1.341 -10.544 936 HG13 ILE 116 3HG1 ILE 116 0.360 2.428 -9.608 937 HG21 ILE 116 1HG2 ILE 116 1.216 1.390 -13.141 938 HG22 ILE 116 2HG2 ILE 116 0.061 2.486 -13.906 939 HG23 ILE 116 3HG2 ILE 116 -0.519 1.090 -12.997 940 HD11 ILE 116 3HD1 ILE 116 -0.570 0.024 -11.175 941 HD12 ILE 116 1HD1 ILE 116 -1.614 1.147 -10.295 942 HD13 ILE 116 2HD1 ILE 116 -0.434 0.176 -9.424 943 H SER 117 H SER 117 2.862 4.153 -13.815 944 HA SER 117 HA SER 117 1.371 6.198 -15.216 945 HB2 SER 117 2HB SER 117 3.854 6.121 -15.343 946 HB3 SER 117 3HB SER 117 3.767 4.562 -16.153 947 HG SER 117 HG SER 117 2.639 5.621 -17.874 948 H LYS 118 H LYS 118 -0.618 5.190 -15.460 949 HA LYS 118 HA LYS 118 -1.106 2.758 -16.858 950 HB2 LYS 118 2HB LYS 118 -3.465 3.626 -17.017 951 HB3 LYS 118 3HB LYS 118 -2.805 3.675 -15.382 952 HG2 LYS 118 2HG LYS 118 -2.323 6.093 -15.657 953 HG3 LYS 118 3HG LYS 118 -3.042 6.052 -17.269 954 HD2 LYS 118 2HD LYS 118 -4.510 5.394 -14.684 955 HD3 LYS 118 3HD LYS 118 -4.566 6.955 -15.506 956 HE2 LYS 118 2HE LYS 118 -5.520 4.322 -16.690 957 HE3 LYS 118 3HE LYS 118 -6.553 5.570 -15.992 958 HZ1 LYS 118 3HZ LYS 118 -6.496 5.710 -18.393 959 HZ2 LYS 118 1HZ LYS 118 -4.817 5.914 -18.383 960 HZ3 LYS 118 2HZ LYS 118 -5.821 7.097 -17.706 961 H GLU 119 H GLU 119 -0.374 5.990 -17.876 962 HA GLU 119 HA GLU 119 -1.335 5.805 -20.577 963 HB2 GLU 119 2HB GLU 119 0.673 7.762 -19.357 964 HB3 GLU 119 3HB GLU 119 -0.159 7.956 -20.899 965 HG2 GLU 119 2HG GLU 119 -1.440 7.952 -18.146 966 HG3 GLU 119 3HG GLU 119 -1.192 9.358 -19.177 Start of MODEL 7 1 H1 MET 1 1H MET 1 19.777 2.357 42.870 2 H2 MET 1 2H MET 1 21.277 1.627 43.140 3 H3 MET 1 3H MET 1 20.408 1.258 41.747 4 HA MET 1 HA MET 1 21.544 3.891 42.435 5 HB2 MET 1 2HB MET 1 23.305 2.266 41.830 6 HB3 MET 1 3HB MET 1 22.426 1.821 40.370 7 HG2 MET 1 2HG MET 1 24.354 3.328 39.922 8 HG3 MET 1 3HG MET 1 22.813 4.015 39.404 9 HE1 MET 1 3HE MET 1 24.740 7.226 40.522 10 HE2 MET 1 1HE MET 1 23.827 6.452 39.229 11 HE3 MET 1 2HE MET 1 25.414 5.826 39.689 12 H GLY 2 H GLY 2 19.861 5.178 41.893 13 HA2 GLY 2 2HA GLY 2 18.182 4.861 39.573 14 HA3 GLY 2 3HA GLY 2 18.230 6.225 40.677 15 H HIS 3 H HIS 3 19.558 4.844 37.773 16 HA HIS 3 HA HIS 3 21.309 7.046 37.177 17 HB2 HIS 3 2HB HIS 3 21.409 6.000 34.843 18 HB3 HIS 3 3HB HIS 3 21.971 4.998 36.167 19 HD1 HIS 3 HD1 HIS 3 21.077 2.674 36.218 20 HD2 HIS 3 HD2 HIS 3 18.703 5.172 33.894 21 HE1 HIS 3 HE1 HIS 3 19.385 1.185 35.130 22 HE2 HIS 3 HE2 HIS 3 18.092 2.686 33.590 23 H HIS 4 H HIS 4 20.581 9.000 36.706 24 HA HIS 4 HA HIS 4 17.834 9.512 35.921 25 HB2 HIS 4 2HB HIS 4 19.098 10.924 37.591 26 HB3 HIS 4 3HB HIS 4 20.145 11.479 36.292 27 HD1 HIS 4 HD1 HIS 4 19.479 13.787 35.603 28 HD2 HIS 4 HD2 HIS 4 16.177 11.527 36.724 29 HE1 HIS 4 HE1 HIS 4 17.496 15.311 35.358 30 HE2 HIS 4 HE2 HIS 4 15.533 13.952 36.132 31 H HIS 5 H HIS 5 17.399 9.025 33.807 32 HA HIS 5 HA HIS 5 19.306 9.269 31.682 33 HB2 HIS 5 2HB HIS 5 17.413 8.587 30.180 34 HB3 HIS 5 3HB HIS 5 17.679 7.494 31.527 35 HD1 HIS 5 HD1 HIS 5 15.636 6.795 32.726 36 HD2 HIS 5 HD2 HIS 5 15.063 10.389 30.721 37 HE1 HIS 5 HE1 HIS 5 13.197 7.318 32.957 38 HE2 HIS 5 HE2 HIS 5 12.881 9.516 31.779 39 H HIS 6 H HIS 6 19.339 10.683 29.915 40 HA HIS 6 HA HIS 6 17.639 13.109 30.074 41 HB2 HIS 6 2HB HIS 6 19.565 14.420 29.141 42 HB3 HIS 6 3HB HIS 6 19.842 13.810 30.764 43 HD1 HIS 6 HD1 HIS 6 21.675 12.000 31.063 44 HD2 HIS 6 HD2 HIS 6 21.341 13.452 27.183 45 HE1 HIS 6 HE1 HIS 6 23.760 11.262 29.878 46 HE2 HIS 6 HE2 HIS 6 23.440 11.998 27.499 47 H HIS 7 H HIS 7 16.255 13.075 28.465 48 HA HIS 7 HA HIS 7 17.154 12.523 25.714 49 HB2 HIS 7 2HB HIS 7 14.662 11.261 26.969 50 HB3 HIS 7 3HB HIS 7 15.061 11.201 25.256 51 HD1 HIS 7 HD1 HIS 7 17.127 9.714 24.579 52 HD2 HIS 7 HD2 HIS 7 15.970 9.376 28.550 53 HE1 HIS 7 HE1 HIS 7 18.247 7.641 25.436 54 HE2 HIS 7 HE2 HIS 7 17.337 7.342 27.758 55 H HIS 8 H HIS 8 16.630 14.200 24.530 56 HA HIS 8 HA HIS 8 14.001 15.531 24.794 57 HB2 HIS 8 2HB HIS 8 16.714 16.939 24.587 58 HB3 HIS 8 3HB HIS 8 15.203 17.737 24.173 59 HD1 HIS 8 HD1 HIS 8 13.707 18.533 26.096 60 HD2 HIS 8 HD2 HIS 8 17.086 16.484 27.377 61 HE1 HIS 8 HE1 HIS 8 13.839 18.921 28.568 62 HE2 HIS 8 HE2 HIS 8 15.792 17.545 29.333 63 H SER 9 H SER 9 13.097 14.756 22.976 64 HA SER 9 HA SER 9 14.721 14.455 20.518 65 HB2 SER 9 2HB SER 9 13.656 12.400 21.519 66 HB3 SER 9 3HB SER 9 12.075 13.121 21.225 67 HG SER 9 HG SER 9 13.999 12.704 19.182 68 H HIS 10 H HIS 10 13.388 14.636 18.499 69 HA HIS 10 HA HIS 10 11.124 16.426 18.418 70 HB2 HIS 10 2HB HIS 10 12.241 18.123 16.970 71 HB3 HIS 10 3HB HIS 10 12.942 18.095 18.581 72 HD1 HIS 10 HD1 HIS 10 15.428 17.507 18.782 73 HD2 HIS 10 HD2 HIS 10 13.990 17.160 14.896 74 HE1 HIS 10 HE1 HIS 10 17.451 17.226 17.320 75 HE2 HIS 10 HE2 HIS 10 16.533 16.838 15.018 76 H MET 11 H MET 11 10.010 16.149 16.482 77 HA MET 11 HA MET 11 11.231 14.409 14.409 78 HB2 MET 11 2HB MET 11 8.338 14.433 15.383 79 HB3 MET 11 3HB MET 11 8.861 13.618 13.912 80 HG2 MET 11 2HG MET 11 8.677 11.967 15.639 81 HG3 MET 11 3HG MET 11 10.392 12.210 15.314 82 HE1 MET 11 3HE MET 11 9.423 10.683 17.943 83 HE2 MET 11 1HE MET 11 10.464 11.437 19.149 84 HE3 MET 11 2HE MET 11 11.114 11.022 17.562 85 H ASN 12 H ASN 12 10.778 14.914 12.269 86 HA ASN 12 HA ASN 12 10.605 17.681 11.614 87 HB2 ASN 12 2HB ASN 12 10.415 15.294 9.712 88 HB3 ASN 12 3HB ASN 12 10.844 16.949 9.277 89 HD21 ASN 12 1HD2 ASN 12 12.332 14.454 8.920 90 HD22 ASN 12 2HD2 ASN 12 13.854 14.700 9.696 91 H SER 13 H SER 13 8.603 18.397 12.391 92 HA SER 13 HA SER 13 6.081 17.161 11.708 93 HB2 SER 13 2HB SER 13 6.655 19.853 13.034 94 HB3 SER 13 3HB SER 13 5.104 18.999 13.042 95 HG SER 13 HG SER 13 7.378 17.650 13.965 96 H GLN 14 H GLN 14 5.248 17.383 9.730 97 HA GLN 14 HA GLN 14 5.821 19.804 8.110 98 HB2 GLN 14 2HB GLN 14 5.675 18.412 6.106 99 HB3 GLN 14 3HB GLN 14 6.903 17.788 7.188 100 HG2 GLN 14 2HG GLN 14 4.120 16.594 6.941 101 HG3 GLN 14 3HG GLN 14 5.500 16.054 5.993 102 HE21 GLN 14 1HE2 GLN 14 7.242 15.013 7.082 103 HE22 GLN 14 2HE2 GLN 14 7.019 14.263 8.624 104 H ARG 15 H ARG 15 4.229 20.445 6.597 105 HA ARG 15 HA ARG 15 1.449 20.099 7.556 106 HB2 ARG 15 2HB ARG 15 1.029 22.255 6.414 107 HB3 ARG 15 3HB ARG 15 2.355 22.396 7.560 108 HG2 ARG 15 2HG ARG 15 3.937 22.106 5.564 109 HG3 ARG 15 3HG ARG 15 2.520 22.316 4.533 110 HD2 ARG 15 2HD ARG 15 3.660 24.443 4.743 111 HD3 ARG 15 3HD ARG 15 2.126 24.539 5.618 112 HE ARG 15 HE ARG 15 4.431 23.788 7.225 113 HH11 ARG 15 1HH1 ARG 15 2.448 26.501 6.143 114 HH12 ARG 15 2HH1 ARG 15 2.960 27.532 7.442 115 HH21 ARG 15 1HH2 ARG 15 5.076 25.159 8.904 116 HH22 ARG 15 2HH2 ARG 15 4.444 26.771 8.998 117 H LEU 16 H LEU 16 2.885 18.143 5.873 118 HA LEU 16 HA LEU 16 1.888 18.403 3.151 119 HB2 LEU 16 2HB LEU 16 3.593 16.316 4.553 120 HB3 LEU 16 3HB LEU 16 3.123 16.182 2.868 121 HG LEU 16 HG LEU 16 4.859 18.374 4.066 122 HD11 LEU 16 1HD1 LEU 16 5.591 16.139 2.155 123 HD12 LEU 16 2HD1 LEU 16 6.021 16.226 3.865 124 HD13 LEU 16 3HD1 LEU 16 6.666 17.415 2.736 125 HD21 LEU 16 3HD2 LEU 16 3.496 19.319 2.287 126 HD22 LEU 16 1HD2 LEU 16 3.947 18.004 1.194 127 HD23 LEU 16 2HD2 LEU 16 5.161 19.161 1.740 128 H ILE 17 H ILE 17 1.499 15.555 2.694 129 HA ILE 17 HA ILE 17 -1.316 15.838 2.682 130 HB ILE 17 HB ILE 17 0.567 13.720 1.578 131 HG12 ILE 17 2HG1 ILE 17 -0.281 14.593 -0.641 132 HG13 ILE 17 3HG1 ILE 17 -1.238 15.784 0.222 133 HG21 ILE 17 1HG2 ILE 17 -2.467 13.686 1.369 134 HG22 ILE 17 2HG2 ILE 17 -1.455 12.476 2.160 135 HG23 ILE 17 3HG2 ILE 17 -1.386 12.676 0.409 136 HD11 ILE 17 3HD1 ILE 17 0.813 16.844 1.027 137 HD12 ILE 17 1HD1 ILE 17 0.772 16.755 -0.733 138 HD13 ILE 17 2HD1 ILE 17 1.773 15.628 0.183 139 H HIS 18 H HIS 18 -2.836 14.860 3.763 140 HA HIS 18 HA HIS 18 -2.284 13.349 6.184 141 HB2 HIS 18 2HB HIS 18 -4.977 14.278 5.103 142 HB3 HIS 18 3HB HIS 18 -4.582 13.844 6.766 143 HD1 HIS 18 HD1 HIS 18 -4.030 16.570 4.205 144 HD2 HIS 18 HD2 HIS 18 -3.593 15.950 8.290 145 HE1 HIS 18 HE1 HIS 18 -3.445 18.808 5.171 146 HE2 HIS 18 HE2 HIS 18 -3.435 18.439 7.652 147 H ILE 19 H ILE 19 -2.898 11.247 6.486 148 HA ILE 19 HA ILE 19 -4.055 9.722 4.220 149 HB ILE 19 HB ILE 19 -1.852 8.794 6.137 150 HG12 ILE 19 2HG1 ILE 19 -0.902 10.330 4.470 151 HG13 ILE 19 3HG1 ILE 19 -0.380 8.689 4.107 152 HG21 ILE 19 1HG2 ILE 19 -3.358 6.949 5.552 153 HG22 ILE 19 2HG2 ILE 19 -1.780 6.716 4.798 154 HG23 ILE 19 3HG2 ILE 19 -3.143 7.289 3.833 155 HD11 ILE 19 3HD1 ILE 19 -2.547 10.238 2.679 156 HD12 ILE 19 1HD1 ILE 19 -2.086 8.569 2.319 157 HD13 ILE 19 2HD1 ILE 19 -0.930 9.878 2.082 158 H LYS 20 H LYS 20 -5.997 8.927 4.871 159 HA LYS 20 HA LYS 20 -6.696 8.798 7.716 160 HB2 LYS 20 2HB LYS 20 -8.234 9.940 6.140 161 HB3 LYS 20 3HB LYS 20 -8.359 8.477 5.172 162 HG2 LYS 20 2HG LYS 20 -9.419 7.336 7.149 163 HG3 LYS 20 3HG LYS 20 -9.396 8.880 8.003 164 HD2 LYS 20 2HD LYS 20 -10.847 8.348 5.384 165 HD3 LYS 20 3HD LYS 20 -11.610 8.351 6.973 166 HE2 LYS 20 2HE LYS 20 -10.257 10.750 5.678 167 HE3 LYS 20 3HE LYS 20 -11.994 10.460 5.736 168 HZ1 LYS 20 3HZ LYS 20 -11.209 12.002 7.457 169 HZ2 LYS 20 1HZ LYS 20 -10.272 10.765 8.132 170 HZ3 LYS 20 2HZ LYS 20 -11.953 10.632 8.107 171 H THR 21 H THR 21 -7.019 6.849 8.744 172 HA THR 21 HA THR 21 -6.643 4.338 7.221 173 HB THR 21 HB THR 21 -6.365 4.871 10.217 174 HG1 THR 21 HG1 THR 21 -4.580 4.790 8.051 175 HG21 THR 21 3HG2 THR 21 -5.785 2.353 8.612 176 HG22 THR 21 1HG2 THR 21 -7.078 2.541 9.811 177 HG23 THR 21 2HG2 THR 21 -5.387 2.586 10.313 178 H LEU 22 H LEU 22 -8.408 3.121 6.907 179 HA LEU 22 HA LEU 22 -10.831 3.509 8.573 180 HB2 LEU 22 2HB LEU 22 -10.595 2.844 5.602 181 HB3 LEU 22 3HB LEU 22 -12.108 2.776 6.498 182 HG LEU 22 HG LEU 22 -10.447 5.298 6.104 183 HD11 LEU 22 1HD1 LEU 22 -11.406 4.551 3.985 184 HD12 LEU 22 2HD1 LEU 22 -12.168 6.036 4.544 185 HD13 LEU 22 3HD1 LEU 22 -13.014 4.494 4.712 186 HD21 LEU 22 3HD2 LEU 22 -13.194 4.915 7.340 187 HD22 LEU 22 1HD2 LEU 22 -12.430 6.471 6.996 188 HD23 LEU 22 2HD2 LEU 22 -11.710 5.384 8.177 189 H THR 23 H THR 23 -11.626 1.726 9.506 190 HA THR 23 HA THR 23 -10.254 -0.737 9.568 191 HB THR 23 HB THR 23 -12.222 -1.521 10.932 192 HG1 THR 23 HG1 THR 23 -14.059 -0.563 10.504 193 HG21 THR 23 3HG2 THR 23 -12.000 0.099 12.784 194 HG22 THR 23 1HG2 THR 23 -11.267 1.271 11.684 195 HG23 THR 23 2HG2 THR 23 -10.424 -0.234 12.062 196 H THR 24 H THR 24 -10.890 -2.802 8.751 197 HA THR 24 HA THR 24 -12.654 -2.786 6.372 198 HB THR 24 HB THR 24 -10.870 -4.393 5.384 199 HG1 THR 24 HG1 THR 24 -8.964 -4.550 6.385 200 HG21 THR 24 3HG2 THR 24 -10.007 -1.505 5.819 201 HG22 THR 24 1HG2 THR 24 -11.069 -2.078 4.531 202 HG23 THR 24 2HG2 THR 24 -9.383 -2.593 4.577 203 HA PRO 25 HA PRO 25 -14.243 -6.653 8.247 204 HB2 PRO 25 2HB PRO 25 -14.769 -7.540 5.426 205 HB3 PRO 25 3HB PRO 25 -15.906 -7.362 6.780 206 HG2 PRO 25 2HG PRO 25 -15.939 -5.614 4.765 207 HG3 PRO 25 3HG PRO 25 -16.182 -5.066 6.441 208 HD2 PRO 25 2HD PRO 25 -13.676 -4.914 4.756 209 HD3 PRO 25 3HD PRO 25 -14.402 -3.673 5.806 210 H ASN 26 H ASN 26 -11.981 -6.614 5.566 211 HA ASN 26 HA ASN 26 -10.925 -9.298 6.029 212 HB2 ASN 26 2HB ASN 26 -11.167 -8.336 3.727 213 HB3 ASN 26 3HB ASN 26 -10.012 -7.077 4.141 214 HD21 ASN 26 1HD2 ASN 26 -9.854 -8.944 2.004 215 HD22 ASN 26 2HD2 ASN 26 -8.420 -9.877 2.222 216 H GLU 27 H GLU 27 -9.443 -9.623 7.595 217 HA GLU 27 HA GLU 27 -8.288 -7.466 9.090 218 HB2 GLU 27 2HB GLU 27 -7.330 -9.243 10.531 219 HB3 GLU 27 3HB GLU 27 -9.060 -9.424 10.272 220 HG2 GLU 27 2HG GLU 27 -8.552 -11.157 8.516 221 HG3 GLU 27 3HG GLU 27 -6.854 -11.055 8.973 222 H ASN 28 H ASN 28 -7.076 -9.628 6.598 223 HA ASN 28 HA ASN 28 -4.284 -8.929 6.929 224 HB2 ASN 28 2HB ASN 28 -5.790 -10.311 4.656 225 HB3 ASN 28 3HB ASN 28 -4.061 -9.967 4.578 226 HD21 ASN 28 1HD2 ASN 28 -3.368 -12.072 4.538 227 HD22 ASN 28 2HD2 ASN 28 -3.568 -13.173 5.858 228 H ALA 29 H ALA 29 -7.020 -7.592 5.238 229 HA ALA 29 HA ALA 29 -5.423 -5.626 3.757 230 HB1 ALA 29 3HB ALA 29 -8.443 -5.978 3.939 231 HB2 ALA 29 1HB ALA 29 -7.398 -6.606 2.662 232 HB3 ALA 29 2HB ALA 29 -7.590 -4.868 2.866 233 H LEU 30 H LEU 30 -5.676 -3.339 4.059 234 HA LEU 30 HA LEU 30 -7.443 -2.290 6.084 235 HB2 LEU 30 2HB LEU 30 -5.318 -2.873 7.364 236 HB3 LEU 30 3HB LEU 30 -4.476 -1.678 6.398 237 HG LEU 30 HG LEU 30 -5.963 0.106 7.351 238 HD11 LEU 30 1HD1 LEU 30 -7.075 -2.106 9.110 239 HD12 LEU 30 2HD1 LEU 30 -7.952 -1.243 7.842 240 HD13 LEU 30 3HD1 LEU 30 -7.406 -0.379 9.276 241 HD21 LEU 30 3HD2 LEU 30 -4.505 -1.559 9.431 242 HD22 LEU 30 1HD2 LEU 30 -4.955 0.143 9.593 243 HD23 LEU 30 2HD2 LEU 30 -3.781 -0.345 8.373 244 H LYS 31 H LYS 31 -8.273 -0.507 5.276 245 HA LYS 31 HA LYS 31 -7.342 0.503 2.731 246 HB2 LYS 31 2HB LYS 31 -9.717 -0.034 3.064 247 HB3 LYS 31 3HB LYS 31 -9.818 1.118 4.390 248 HG2 LYS 31 2HG LYS 31 -9.420 2.976 2.806 249 HG3 LYS 31 3HG LYS 31 -9.315 1.818 1.471 250 HD2 LYS 31 2HD LYS 31 -11.656 1.121 1.887 251 HD3 LYS 31 3HD LYS 31 -11.757 2.241 3.249 252 HE2 LYS 31 2HE LYS 31 -11.465 4.136 1.716 253 HE3 LYS 31 3HE LYS 31 -11.325 3.025 0.353 254 HZ1 LYS 31 3HZ LYS 31 -13.715 3.415 2.068 255 HZ2 LYS 31 1HZ LYS 31 -13.588 2.252 0.850 256 HZ3 LYS 31 2HZ LYS 31 -13.537 3.895 0.459 257 H PHE 32 H PHE 32 -6.230 2.342 2.457 258 HA PHE 32 HA PHE 32 -6.174 4.433 4.557 259 HB2 PHE 32 2HB PHE 32 -3.993 3.685 2.541 260 HB3 PHE 32 3HB PHE 32 -3.902 5.033 3.671 261 HD1 PHE 32 HD1 PHE 32 -3.812 4.577 6.164 262 HD2 PHE 32 HD2 PHE 32 -3.452 1.432 3.275 263 HE1 PHE 32 HE1 PHE 32 -2.861 3.092 7.879 264 HE2 PHE 32 HE2 PHE 32 -2.499 -0.036 5.005 265 HZ PHE 32 HZ PHE 32 -2.205 0.789 7.305 266 H LEU 33 H LEU 33 -7.157 6.269 3.917 267 HA LEU 33 HA LEU 33 -7.970 6.569 1.105 268 HB2 LEU 33 2HB LEU 33 -9.753 6.400 2.836 269 HB3 LEU 33 3HB LEU 33 -9.086 7.796 3.665 270 HG LEU 33 HG LEU 33 -9.634 9.210 1.649 271 HD11 LEU 33 1HD1 LEU 33 -11.022 6.716 0.641 272 HD12 LEU 33 2HD1 LEU 33 -9.601 7.491 -0.069 273 HD13 LEU 33 3HD1 LEU 33 -11.149 8.332 -0.063 274 HD21 LEU 33 3HD2 LEU 33 -12.057 9.321 2.042 275 HD22 LEU 33 1HD2 LEU 33 -11.165 9.167 3.555 276 HD23 LEU 33 2HD2 LEU 33 -12.001 7.766 2.879 277 H SER 34 H SER 34 -7.004 8.120 -0.066 278 HA SER 34 HA SER 34 -5.176 10.049 1.090 279 HB2 SER 34 2HB SER 34 -6.070 9.662 -1.809 280 HB3 SER 34 3HB SER 34 -4.673 10.601 -1.266 281 HG SER 34 HG SER 34 -3.748 8.719 -1.681 282 H THR 35 H THR 35 -6.048 11.811 2.032 283 HA THR 35 HA THR 35 -8.784 12.646 1.373 284 HB THR 35 HB THR 35 -8.634 13.896 3.555 285 HG1 THR 35 HG1 THR 35 -6.154 13.910 3.334 286 HG21 THR 35 3HG2 THR 35 -8.632 11.879 4.998 287 HG22 THR 35 1HG2 THR 35 -7.898 10.942 3.690 288 HG23 THR 35 2HG2 THR 35 -9.529 11.591 3.507 289 H ASP 36 H ASP 36 -5.727 13.643 0.511 290 HA ASP 36 HA ASP 36 -6.384 16.500 0.232 291 HB2 ASP 36 2HB ASP 36 -3.783 14.949 -0.216 292 HB3 ASP 36 3HB ASP 36 -3.961 16.686 -0.462 293 H GLY 37 H GLY 37 -5.324 17.336 -1.997 294 HA2 GLY 37 2HA GLY 37 -7.165 16.610 -4.007 295 HA3 GLY 37 3HA GLY 37 -5.762 17.637 -4.233 296 H GLU 38 H GLU 38 -4.237 15.119 -3.183 297 HA GLU 38 HA GLU 38 -3.643 13.916 -5.733 298 HB2 GLU 38 2HB GLU 38 -2.614 13.454 -2.905 299 HB3 GLU 38 3HB GLU 38 -2.036 12.546 -4.297 300 HG2 GLU 38 2HG GLU 38 -0.478 14.319 -3.718 301 HG3 GLU 38 3HG GLU 38 -1.178 14.608 -5.307 302 H MET 39 H MET 39 -5.644 12.944 -6.239 303 HA MET 39 HA MET 39 -6.523 10.581 -4.723 304 HB2 MET 39 2HB MET 39 -8.186 12.185 -5.727 305 HB3 MET 39 3HB MET 39 -7.581 11.783 -7.325 306 HG2 MET 39 2HG MET 39 -8.333 9.442 -6.992 307 HG3 MET 39 3HG MET 39 -8.991 9.900 -5.416 308 HE1 MET 39 3HE MET 39 -12.132 9.401 -7.837 309 HE2 MET 39 1HE MET 39 -11.284 8.746 -6.438 310 HE3 MET 39 2HE MET 39 -10.595 8.565 -8.051 311 H LEU 40 H LEU 40 -6.196 8.449 -5.528 312 HA LEU 40 HA LEU 40 -3.655 8.179 -6.809 313 HB2 LEU 40 2HB LEU 40 -5.639 6.021 -5.995 314 HB3 LEU 40 3HB LEU 40 -3.949 5.755 -6.418 315 HG LEU 40 HG LEU 40 -4.983 7.279 -3.992 316 HD11 LEU 40 1HD1 LEU 40 -5.198 4.872 -3.791 317 HD12 LEU 40 2HD1 LEU 40 -3.964 5.486 -2.697 318 HD13 LEU 40 3HD1 LEU 40 -3.488 4.658 -4.184 319 HD21 LEU 40 3HD2 LEU 40 -2.935 8.365 -4.782 320 HD22 LEU 40 1HD2 LEU 40 -2.092 6.813 -4.814 321 HD23 LEU 40 2HD2 LEU 40 -2.635 7.499 -3.280 322 H GLN 41 H GLN 41 -6.801 6.711 -7.739 323 HA GLN 41 HA GLN 41 -6.095 7.034 -10.606 324 HB2 GLN 41 2HB GLN 41 -7.946 4.969 -9.337 325 HB3 GLN 41 3HB GLN 41 -7.658 5.149 -11.064 326 HG2 GLN 41 2HG GLN 41 -5.287 4.526 -10.724 327 HG3 GLN 41 3HG GLN 41 -5.591 4.335 -8.999 328 HE21 GLN 41 1HE2 GLN 41 -7.826 3.299 -11.547 329 HE22 GLN 41 2HE2 GLN 41 -7.657 1.612 -11.249 330 H THR 42 H THR 42 -8.109 7.320 -12.010 331 HA THR 42 HA THR 42 -9.944 9.278 -10.952 332 HB THR 42 HB THR 42 -9.377 9.485 -13.291 333 HG1 THR 42 HG1 THR 42 -11.616 9.149 -14.229 334 HG21 THR 42 3HG2 THR 42 -10.547 6.724 -13.743 335 HG22 THR 42 1HG2 THR 42 -8.834 7.147 -13.835 336 HG23 THR 42 2HG2 THR 42 -9.976 7.816 -15.003 337 H ARG 43 H ARG 43 -12.270 8.980 -10.678 338 HA ARG 43 HA ARG 43 -12.824 6.547 -9.263 339 HB2 ARG 43 2HB ARG 43 -13.667 8.692 -8.409 340 HB3 ARG 43 3HB ARG 43 -14.656 8.916 -9.847 341 HG2 ARG 43 2HG ARG 43 -16.097 7.084 -9.245 342 HG3 ARG 43 3HG ARG 43 -15.016 6.568 -7.951 343 HD2 ARG 43 2HD ARG 43 -15.601 8.427 -6.579 344 HD3 ARG 43 3HD ARG 43 -16.371 9.282 -7.917 345 HE ARG 43 HE ARG 43 -18.159 7.663 -7.859 346 HH11 ARG 43 1HH1 ARG 43 -16.096 7.606 -5.005 347 HH12 ARG 43 2HH1 ARG 43 -17.302 6.852 -4.009 348 HH21 ARG 43 1HH2 ARG 43 -19.712 6.647 -6.552 349 HH22 ARG 43 2HH2 ARG 43 -19.341 6.315 -4.893 350 H GLY 44 H GLY 44 -13.863 4.780 -9.899 351 HA2 GLY 44 2HA GLY 44 -15.491 3.511 -11.044 352 HA3 GLY 44 3HA GLY 44 -15.637 4.770 -12.264 353 H SER 45 H SER 45 -12.510 3.660 -11.185 354 HA SER 45 HA SER 45 -11.960 2.421 -13.811 355 HB2 SER 45 2HB SER 45 -10.106 3.281 -11.552 356 HB3 SER 45 3HB SER 45 -9.578 2.580 -13.088 357 HG SER 45 HG SER 45 -10.993 4.997 -12.701 358 H LYS 46 H LYS 46 -10.190 0.562 -13.477 359 HA LYS 46 HA LYS 46 -11.306 -1.490 -11.681 360 HB2 LYS 46 2HB LYS 46 -9.196 -1.675 -13.892 361 HB3 LYS 46 3HB LYS 46 -9.833 -3.043 -12.987 362 HG2 LYS 46 2HG LYS 46 -11.492 -1.230 -14.762 363 HG3 LYS 46 3HG LYS 46 -10.830 -2.787 -15.264 364 HD2 LYS 46 2HD LYS 46 -12.194 -3.940 -13.568 365 HD3 LYS 46 3HD LYS 46 -12.799 -2.394 -12.966 366 HE2 LYS 46 2HE LYS 46 -14.450 -3.522 -14.415 367 HE3 LYS 46 3HE LYS 46 -13.941 -1.981 -15.099 368 HZ1 LYS 46 3HZ LYS 46 -12.917 -4.641 -15.935 369 HZ2 LYS 46 1HZ LYS 46 -12.496 -3.158 -16.618 370 HZ3 LYS 46 2HZ LYS 46 -14.079 -3.736 -16.767 371 H SER 47 H SER 47 -10.211 -2.154 -9.881 372 HA SER 47 HA SER 47 -8.102 -0.574 -8.787 373 HB2 SER 47 2HB SER 47 -8.257 -2.234 -6.866 374 HB3 SER 47 3HB SER 47 -9.803 -1.511 -7.309 375 HG SER 47 HG SER 47 -9.297 -3.790 -8.712 376 H ILE 48 H ILE 48 -5.991 -0.771 -9.319 377 HA ILE 48 HA ILE 48 -4.921 -3.050 -10.730 378 HB ILE 48 HB ILE 48 -3.405 -0.670 -9.545 379 HG12 ILE 48 2HG1 ILE 48 -4.461 -1.014 -12.392 380 HG13 ILE 48 3HG1 ILE 48 -5.180 0.032 -11.176 381 HG21 ILE 48 1HG2 ILE 48 -1.618 -1.247 -11.158 382 HG22 ILE 48 2HG2 ILE 48 -2.552 -2.640 -11.702 383 HG23 ILE 48 3HG2 ILE 48 -1.930 -2.588 -10.052 384 HD11 ILE 48 3HD1 ILE 48 -2.423 0.358 -12.368 385 HD12 ILE 48 1HD1 ILE 48 -3.156 1.399 -11.142 386 HD13 ILE 48 2HD1 ILE 48 -3.862 1.301 -12.752 387 H VAL 49 H VAL 49 -4.731 -4.902 -9.546 388 HA VAL 49 HA VAL 49 -3.837 -4.825 -6.744 389 HB VAL 49 HB VAL 49 -4.893 -7.169 -8.402 390 HG11 VAL 49 1HG1 VAL 49 -5.026 -8.412 -6.254 391 HG12 VAL 49 2HG1 VAL 49 -4.237 -7.065 -5.432 392 HG13 VAL 49 3HG1 VAL 49 -3.361 -7.982 -6.658 393 HG21 VAL 49 3HG2 VAL 49 -6.944 -6.964 -7.023 394 HG22 VAL 49 1HG2 VAL 49 -6.641 -5.495 -7.958 395 HG23 VAL 49 2HG2 VAL 49 -6.269 -5.537 -6.233 396 H ILE 50 H ILE 50 -1.697 -4.738 -6.557 397 HA ILE 50 HA ILE 50 0.113 -6.121 -8.435 398 HB ILE 50 HB ILE 50 0.656 -3.863 -6.438 399 HG12 ILE 50 2HG1 ILE 50 0.466 -3.754 -9.481 400 HG13 ILE 50 3HG1 ILE 50 -0.720 -3.108 -8.353 401 HG21 ILE 50 1HG2 ILE 50 2.648 -5.269 -6.718 402 HG22 ILE 50 2HG2 ILE 50 2.902 -3.697 -7.475 403 HG23 ILE 50 3HG2 ILE 50 2.542 -5.106 -8.473 404 HD11 ILE 50 3HD1 ILE 50 0.955 -1.508 -7.538 405 HD12 ILE 50 1HD1 ILE 50 0.617 -1.343 -9.258 406 HD13 ILE 50 2HD1 ILE 50 2.106 -2.126 -8.729 407 H LYS 51 H LYS 51 0.612 -8.121 -7.599 408 HA LYS 51 HA LYS 51 0.793 -8.506 -4.683 409 HB2 LYS 51 2HB LYS 51 0.909 -10.499 -6.987 410 HB3 LYS 51 3HB LYS 51 1.017 -10.940 -5.284 411 HG2 LYS 51 2HG LYS 51 -1.248 -10.112 -4.881 412 HG3 LYS 51 3HG LYS 51 -1.373 -9.534 -6.541 413 HD2 LYS 51 2HD LYS 51 -1.076 -12.460 -5.731 414 HD3 LYS 51 3HD LYS 51 -2.601 -11.678 -6.145 415 HE2 LYS 51 2HE LYS 51 -1.674 -11.193 -8.426 416 HE3 LYS 51 3HE LYS 51 -0.229 -12.110 -7.995 417 HZ1 LYS 51 3HZ LYS 51 -3.005 -13.142 -8.212 418 HZ2 LYS 51 1HZ LYS 51 -1.719 -14.044 -7.599 419 HZ3 LYS 51 2HZ LYS 51 -1.695 -13.521 -9.207 420 H ASN 52 H ASN 52 2.691 -9.673 -3.837 421 HA ASN 52 HA ASN 52 5.114 -8.364 -4.443 422 HB2 ASN 52 2HB ASN 52 6.112 -9.985 -2.757 423 HB3 ASN 52 3HB ASN 52 4.715 -9.076 -2.190 424 HD21 ASN 52 1HD2 ASN 52 4.427 -10.644 -0.550 425 HD22 ASN 52 2HD2 ASN 52 3.701 -12.176 -0.887 426 H THR 53 H THR 53 3.704 -11.180 -5.786 427 HA THR 53 HA THR 53 6.127 -12.356 -6.831 428 HB THR 53 HB THR 53 4.227 -13.796 -6.240 429 HG1 THR 53 HG1 THR 53 5.520 -14.599 -7.855 430 HG21 THR 53 3HG2 THR 53 2.353 -12.265 -6.756 431 HG22 THR 53 1HG2 THR 53 2.139 -13.828 -7.552 432 HG23 THR 53 2HG2 THR 53 2.685 -12.429 -8.482 433 H ASP 54 H ASP 54 3.830 -9.939 -7.888 434 HA ASP 54 HA ASP 54 4.313 -10.283 -10.752 435 HB2 ASP 54 2HB ASP 54 2.592 -8.311 -9.170 436 HB3 ASP 54 3HB ASP 54 2.749 -8.243 -10.923 437 H GLU 55 H GLU 55 6.644 -9.861 -10.578 438 HA GLU 55 HA GLU 55 7.965 -7.601 -9.748 439 HB2 GLU 55 2HB GLU 55 9.072 -9.636 -10.622 440 HB3 GLU 55 3HB GLU 55 8.551 -9.231 -12.255 441 HG2 GLU 55 2HG GLU 55 9.922 -7.077 -12.028 442 HG3 GLU 55 3HG GLU 55 10.573 -7.743 -10.534 443 H ASN 56 H ASN 56 6.412 -8.102 -12.924 444 HA ASN 56 HA ASN 56 7.136 -5.788 -14.289 445 HB2 ASN 56 2HB ASN 56 6.022 -7.698 -15.377 446 HB3 ASN 56 3HB ASN 56 4.557 -7.409 -14.448 447 HD21 ASN 56 1HD2 ASN 56 3.311 -7.234 -16.323 448 HD22 ASN 56 2HD2 ASN 56 3.390 -5.864 -17.375 449 H LEU 57 H LEU 57 4.312 -6.345 -12.200 450 HA LEU 57 HA LEU 57 3.198 -3.721 -12.542 451 HB2 LEU 57 2HB LEU 57 2.569 -5.880 -10.488 452 HB3 LEU 57 3HB LEU 57 1.618 -4.426 -10.744 453 HG LEU 57 HG LEU 57 1.970 -6.712 -12.723 454 HD11 LEU 57 1HD1 LEU 57 -0.475 -5.804 -11.166 455 HD12 LEU 57 2HD1 LEU 57 0.471 -7.267 -10.878 456 HD13 LEU 57 3HD1 LEU 57 -0.436 -7.092 -12.377 457 HD21 LEU 57 3HD2 LEU 57 1.858 -4.602 -13.949 458 HD22 LEU 57 1HD2 LEU 57 0.398 -4.133 -13.070 459 HD23 LEU 57 2HD2 LEU 57 0.370 -5.514 -14.169 460 H ILE 58 H ILE 58 5.437 -5.181 -10.251 461 HA ILE 58 HA ILE 58 5.321 -3.168 -8.219 462 HB ILE 58 HB ILE 58 7.484 -5.237 -8.847 463 HG12 ILE 58 2HG1 ILE 58 5.315 -5.258 -6.697 464 HG13 ILE 58 3HG1 ILE 58 5.249 -6.170 -8.195 465 HG21 ILE 58 1HG2 ILE 58 8.357 -4.828 -6.557 466 HG22 ILE 58 2HG2 ILE 58 7.209 -3.502 -6.363 467 HG23 ILE 58 3HG2 ILE 58 8.489 -3.391 -7.572 468 HD11 ILE 58 3HD1 ILE 58 5.875 -7.587 -6.358 469 HD12 ILE 58 1HD1 ILE 58 7.249 -6.551 -5.974 470 HD13 ILE 58 2HD1 ILE 58 7.216 -7.451 -7.495 471 H ASN 59 H ASN 59 7.447 -3.696 -11.065 472 HA ASN 59 HA ASN 59 9.057 -1.391 -10.712 473 HB2 ASN 59 2HB ASN 59 8.430 -2.948 -13.256 474 HB3 ASN 59 3HB ASN 59 9.585 -1.619 -13.191 475 HD21 ASN 59 1HD2 ASN 59 9.114 -4.956 -12.584 476 HD22 ASN 59 2HD2 ASN 59 10.690 -5.278 -11.967 477 H HIS 60 H HIS 60 5.804 -1.747 -12.013 478 HA HIS 60 HA HIS 60 5.578 0.871 -13.131 479 HB2 HIS 60 2HB HIS 60 3.576 -1.249 -12.321 480 HB3 HIS 60 3HB HIS 60 3.003 0.367 -12.709 481 HD1 HIS 60 HD1 HIS 60 4.056 -2.793 -14.267 482 HD2 HIS 60 HD2 HIS 60 3.529 1.159 -15.448 483 HE1 HIS 60 HE1 HIS 60 3.950 -2.840 -16.772 484 HE2 HIS 60 HE2 HIS 60 3.599 -0.445 -17.463 485 H SER 61 H SER 61 5.897 -0.035 -9.891 486 HA SER 61 HA SER 61 4.883 2.578 -8.969 487 HB2 SER 61 2HB SER 61 4.214 -0.049 -7.573 488 HB3 SER 61 3HB SER 61 3.697 1.566 -7.085 489 HG SER 61 HG SER 61 2.875 1.383 -9.500 490 H LYS 62 H LYS 62 6.822 3.426 -8.397 491 HA LYS 62 HA LYS 62 9.010 2.174 -7.181 492 HB2 LYS 62 2HB LYS 62 9.096 4.424 -8.244 493 HB3 LYS 62 3HB LYS 62 8.098 5.077 -6.952 494 HG2 LYS 62 2HG LYS 62 10.449 5.695 -6.639 495 HG3 LYS 62 3HG LYS 62 9.900 4.660 -5.323 496 HD2 LYS 62 2HD LYS 62 12.179 4.069 -6.055 497 HD3 LYS 62 3HD LYS 62 11.055 2.735 -6.324 498 HE2 LYS 62 2HE LYS 62 12.607 3.006 -8.218 499 HE3 LYS 62 3HE LYS 62 10.947 3.306 -8.723 500 HZ1 LYS 62 3HZ LYS 62 11.419 5.700 -8.528 501 HZ2 LYS 62 1HZ LYS 62 12.399 4.934 -9.672 502 HZ3 LYS 62 2HZ LYS 62 13.029 5.347 -8.161 503 H LEU 63 H LEU 63 6.055 3.528 -5.825 504 HA LEU 63 HA LEU 63 6.617 3.501 -3.067 505 HB2 LEU 63 2HB LEU 63 4.613 4.563 -4.065 506 HB3 LEU 63 3HB LEU 63 3.982 2.984 -4.499 507 HG LEU 63 HG LEU 63 3.889 2.432 -2.007 508 HD11 LEU 63 1HD1 LEU 63 5.500 4.060 -1.175 509 HD12 LEU 63 2HD1 LEU 63 3.940 4.249 -0.383 510 HD13 LEU 63 3HD1 LEU 63 4.431 5.387 -1.640 511 HD21 LEU 63 3HD2 LEU 63 1.814 3.648 -1.596 512 HD22 LEU 63 1HD2 LEU 63 1.876 3.058 -3.254 513 HD23 LEU 63 2HD2 LEU 63 2.178 4.763 -2.914 514 H ALA 64 H ALA 64 5.352 0.954 -5.237 515 HA ALA 64 HA ALA 64 4.726 -1.008 -3.305 516 HB1 ALA 64 3HB ALA 64 3.882 -1.097 -5.614 517 HB2 ALA 64 1HB ALA 64 4.725 -2.590 -5.196 518 HB3 ALA 64 2HB ALA 64 5.517 -1.383 -6.219 519 H GLN 65 H GLN 65 7.630 -0.361 -5.227 520 HA GLN 65 HA GLN 65 9.224 -2.536 -4.494 521 HB2 GLN 65 2HB GLN 65 10.158 0.297 -5.154 522 HB3 GLN 65 3HB GLN 65 11.155 -1.158 -5.214 523 HG2 GLN 65 2HG GLN 65 9.653 -2.071 -6.984 524 HG3 GLN 65 3HG GLN 65 8.751 -0.558 -6.966 525 HE21 GLN 65 1HE2 GLN 65 10.131 -1.766 -9.197 526 HE22 GLN 65 2HE2 GLN 65 11.318 -0.623 -9.718 527 H GLN 66 H GLN 66 8.861 0.657 -2.927 528 HA GLN 66 HA GLN 66 10.766 0.213 -0.868 529 HB2 GLN 66 2HB GLN 66 8.430 2.166 -0.835 530 HB3 GLN 66 3HB GLN 66 9.849 2.217 0.204 531 HG2 GLN 66 2HG GLN 66 9.660 2.840 -2.742 532 HG3 GLN 66 3HG GLN 66 10.216 3.879 -1.438 533 HE21 GLN 66 1HE2 GLN 66 12.306 3.464 -0.529 534 HE22 GLN 66 2HE2 GLN 66 13.516 2.624 -1.431 535 H ILE 67 H ILE 67 7.243 -0.331 -1.033 536 HA ILE 67 HA ILE 67 6.791 -0.845 1.713 537 HB ILE 67 HB ILE 67 5.236 -1.569 -0.810 538 HG12 ILE 67 2HG1 ILE 67 4.709 0.482 1.397 539 HG13 ILE 67 3HG1 ILE 67 5.302 0.843 -0.218 540 HG21 ILE 67 1HG2 ILE 67 4.332 -2.085 2.046 541 HG22 ILE 67 2HG2 ILE 67 4.687 -3.311 0.826 542 HG23 ILE 67 3HG2 ILE 67 3.313 -2.228 0.612 543 HD11 ILE 67 3HD1 ILE 67 3.155 0.028 -1.140 544 HD12 ILE 67 1HD1 ILE 67 2.986 1.409 -0.058 545 HD13 ILE 67 2HD1 ILE 67 2.570 -0.207 0.511 546 H PHE 68 H PHE 68 7.330 -3.057 -1.064 547 HA PHE 68 HA PHE 68 7.296 -5.463 0.464 548 HB2 PHE 68 2HB PHE 68 8.420 -4.947 -2.325 549 HB3 PHE 68 3HB PHE 68 8.224 -6.543 -1.609 550 HD1 PHE 68 HD1 PHE 68 5.578 -6.595 -0.443 551 HD2 PHE 68 HD2 PHE 68 6.834 -4.665 -4.057 552 HE1 PHE 68 HE1 PHE 68 3.290 -6.759 -1.343 553 HE2 PHE 68 HE2 PHE 68 4.541 -4.832 -4.934 554 HZ PHE 68 HZ PHE 68 2.769 -5.880 -3.583 555 H LEU 69 H LEU 69 9.854 -3.168 -0.339 556 HA LEU 69 HA LEU 69 12.095 -4.786 0.360 557 HB2 LEU 69 2HB LEU 69 12.318 -2.752 -0.996 558 HB3 LEU 69 3HB LEU 69 11.725 -1.771 0.330 559 HG LEU 69 HG LEU 69 13.800 -2.313 1.637 560 HD11 LEU 69 1HD1 LEU 69 14.753 -3.685 -0.899 561 HD12 LEU 69 2HD1 LEU 69 14.372 -4.476 0.633 562 HD13 LEU 69 3HD1 LEU 69 15.728 -3.358 0.537 563 HD21 LEU 69 3HD2 LEU 69 13.668 -0.241 0.345 564 HD22 LEU 69 1HD2 LEU 69 14.313 -1.063 -1.079 565 HD23 LEU 69 2HD2 LEU 69 15.315 -0.866 0.361 566 H GLN 70 H GLN 70 10.185 -2.382 2.163 567 HA GLN 70 HA GLN 70 11.673 -2.606 4.619 568 HB2 GLN 70 2HB GLN 70 9.007 -1.273 3.964 569 HB3 GLN 70 3HB GLN 70 9.798 -1.150 5.535 570 HG2 GLN 70 2HG GLN 70 11.660 0.064 4.592 571 HG3 GLN 70 3HG GLN 70 11.102 -0.249 2.947 572 HE21 GLN 70 1HE2 GLN 70 11.071 1.949 2.470 573 HE22 GLN 70 2HE2 GLN 70 9.857 3.013 3.081 574 H CYS 71 H CYS 71 8.759 -4.131 3.311 575 HA CYS 71 HA CYS 71 8.632 -5.927 5.613 576 HB2 CYS 71 2HB CYS 71 7.020 -4.128 6.181 577 HB3 CYS 71 3HB CYS 71 6.208 -4.359 4.634 578 HG CYS 71 HG CYS 71 6.062 -6.230 7.437 579 HA PRO 72 HA PRO 72 8.157 -8.299 1.651 580 HB2 PRO 72 2HB PRO 72 9.510 -10.446 3.198 581 HB3 PRO 72 3HB PRO 72 10.001 -9.687 1.670 582 HG2 PRO 72 2HG PRO 72 11.360 -9.244 3.959 583 HG3 PRO 72 3HG PRO 72 11.177 -7.983 2.716 584 HD2 PRO 72 2HD PRO 72 9.627 -8.327 5.289 585 HD3 PRO 72 3HD PRO 72 10.338 -6.851 4.588 586 H GLY 73 H GLY 73 6.804 -8.435 4.711 587 HA2 GLY 73 2HA GLY 73 5.432 -10.981 4.555 588 HA3 GLY 73 3HA GLY 73 5.163 -9.704 5.737 589 H VAL 74 H VAL 74 4.964 -7.734 3.406 590 HA VAL 74 HA VAL 74 2.153 -7.714 3.062 591 HB VAL 74 HB VAL 74 4.340 -6.226 1.530 592 HG11 VAL 74 1HG1 VAL 74 2.592 -4.611 0.876 593 HG12 VAL 74 2HG1 VAL 74 1.365 -5.619 1.646 594 HG13 VAL 74 3HG1 VAL 74 2.247 -6.222 0.241 595 HG21 VAL 74 3HG2 VAL 74 4.378 -5.741 3.953 596 HG22 VAL 74 1HG2 VAL 74 2.671 -5.293 3.900 597 HG23 VAL 74 2HG2 VAL 74 3.866 -4.329 3.028 598 H GLU 75 H GLU 75 0.975 -8.921 1.721 599 HA GLU 75 HA GLU 75 2.187 -10.752 -0.178 600 HB2 GLU 75 2HB GLU 75 -0.749 -10.400 0.577 601 HB3 GLU 75 3HB GLU 75 -0.067 -11.734 -0.347 602 HG2 GLU 75 2HG GLU 75 1.239 -12.440 1.642 603 HG3 GLU 75 3HG GLU 75 0.525 -11.113 2.563 604 H SER 76 H SER 76 -0.045 -7.984 -0.209 605 HA SER 76 HA SER 76 0.452 -7.447 -3.000 606 HB2 SER 76 2HB SER 76 -1.938 -7.669 -3.730 607 HB3 SER 76 3HB SER 76 -1.223 -9.212 -3.274 608 HG SER 76 HG SER 76 -3.437 -8.172 -2.362 609 H LEU 77 H LEU 77 -0.741 -5.582 -3.786 610 HA LEU 77 HA LEU 77 -1.702 -3.680 -1.734 611 HB2 LEU 77 2HB LEU 77 -0.057 -2.996 -4.228 612 HB3 LEU 77 3HB LEU 77 -0.568 -1.879 -2.973 613 HG LEU 77 HG LEU 77 1.459 -4.118 -2.577 614 HD11 LEU 77 1HD1 LEU 77 3.164 -2.370 -2.517 615 HD12 LEU 77 2HD1 LEU 77 1.950 -1.147 -2.913 616 HD13 LEU 77 3HD1 LEU 77 2.345 -2.417 -4.076 617 HD21 LEU 77 3HD2 LEU 77 0.688 -1.855 -0.717 618 HD22 LEU 77 1HD2 LEU 77 1.984 -3.025 -0.453 619 HD23 LEU 77 2HD2 LEU 77 0.308 -3.565 -0.497 620 H MET 78 H MET 78 -3.757 -3.016 -2.292 621 HA MET 78 HA MET 78 -4.667 -3.326 -5.090 622 HB2 MET 78 2HB MET 78 -6.132 -4.470 -3.501 623 HB3 MET 78 3HB MET 78 -6.280 -3.017 -2.519 624 HG2 MET 78 2HG MET 78 -7.511 -1.889 -4.299 625 HG3 MET 78 3HG MET 78 -7.260 -3.255 -5.384 626 HE1 MET 78 3HE MET 78 -9.634 -5.966 -3.929 627 HE2 MET 78 1HE MET 78 -7.880 -5.835 -3.806 628 HE3 MET 78 2HE MET 78 -8.691 -5.470 -5.333 629 H ILE 79 H ILE 79 -4.294 -1.530 -6.188 630 HA ILE 79 HA ILE 79 -4.251 1.116 -4.972 631 HB ILE 79 HB ILE 79 -3.936 0.372 -7.923 632 HG12 ILE 79 2HG1 ILE 79 -2.217 -0.797 -6.449 633 HG13 ILE 79 3HG1 ILE 79 -1.534 0.273 -7.658 634 HG21 ILE 79 1HG2 ILE 79 -2.768 2.565 -8.116 635 HG22 ILE 79 2HG2 ILE 79 -3.113 2.893 -6.416 636 HG23 ILE 79 3HG2 ILE 79 -4.439 2.753 -7.573 637 HD11 ILE 79 3HD1 ILE 79 -1.854 0.921 -4.739 638 HD12 ILE 79 1HD1 ILE 79 -1.102 1.954 -5.957 639 HD13 ILE 79 2HD1 ILE 79 -0.370 0.407 -5.534 640 H GLY 80 H GLY 80 -6.274 1.784 -4.514 641 HA2 GLY 80 2HA GLY 80 -8.536 1.268 -6.305 642 HA3 GLY 80 3HA GLY 80 -8.594 2.003 -4.703 643 H ASP 81 H ASP 81 -10.046 3.435 -5.971 644 HA ASP 81 HA ASP 81 -8.920 5.301 -7.852 645 HB2 ASP 81 2HB ASP 81 -11.581 5.690 -6.406 646 HB3 ASP 81 3HB ASP 81 -11.102 6.283 -7.994 647 H ASP 82 H ASP 82 -10.378 5.703 -4.638 648 HA ASP 82 HA ASP 82 -8.933 8.219 -4.144 649 HB2 ASP 82 2HB ASP 82 -11.090 6.857 -2.458 650 HB3 ASP 82 3HB ASP 82 -10.514 8.508 -2.281 651 H PHE 83 H PHE 83 -8.453 4.937 -3.520 652 HA PHE 83 HA PHE 83 -7.299 5.363 -0.826 653 HB2 PHE 83 2HB PHE 83 -8.549 3.405 0.029 654 HB3 PHE 83 3HB PHE 83 -9.634 4.682 -0.501 655 HD1 PHE 83 HD2 PHE 83 -10.783 4.436 -2.800 656 HD2 PHE 83 HD1 PHE 83 -8.752 1.192 -0.874 657 HE1 PHE 83 HE2 PHE 83 -11.980 2.835 -4.229 658 HE2 PHE 83 HE1 PHE 83 -9.955 -0.401 -2.308 659 HZ PHE 83 HZ PHE 83 -11.564 0.417 -3.986 660 H LEU 84 H LEU 84 -5.890 3.729 -0.117 661 HA LEU 84 HA LEU 84 -4.901 1.766 -2.077 662 HB2 LEU 84 2HB LEU 84 -3.255 3.548 -1.891 663 HB3 LEU 84 3HB LEU 84 -3.323 3.511 -0.137 664 HG LEU 84 HG LEU 84 -2.199 1.336 -0.078 665 HD11 LEU 84 1HD1 LEU 84 -1.357 0.215 -2.090 666 HD12 LEU 84 2HD1 LEU 84 -2.213 1.378 -3.105 667 HD13 LEU 84 3HD1 LEU 84 -3.117 0.277 -2.064 668 HD21 LEU 84 3HD2 LEU 84 -0.753 3.259 -1.916 669 HD22 LEU 84 1HD2 LEU 84 -0.007 1.972 -0.962 670 HD23 LEU 84 2HD2 LEU 84 -0.792 3.325 -0.153 671 H THR 85 H THR 85 -5.349 -0.174 -1.337 672 HA THR 85 HA THR 85 -5.784 -0.660 1.540 673 HB THR 85 HB THR 85 -6.696 -2.324 -0.858 674 HG1 THR 85 HG1 THR 85 -7.620 -0.100 -0.467 675 HG21 THR 85 3HG2 THR 85 -8.214 -3.419 0.767 676 HG22 THR 85 1HG2 THR 85 -7.525 -2.460 2.070 677 HG23 THR 85 2HG2 THR 85 -6.525 -3.657 1.235 678 H ILE 86 H ILE 86 -3.941 -1.428 2.461 679 HA ILE 86 HA ILE 86 -1.938 -2.894 0.894 680 HB ILE 86 HB ILE 86 -1.865 -2.178 3.864 681 HG12 ILE 86 2HG1 ILE 86 -2.051 -0.108 2.489 682 HG13 ILE 86 3HG1 ILE 86 -0.505 -0.217 3.317 683 HG21 ILE 86 1HG2 ILE 86 0.576 -2.518 3.682 684 HG22 ILE 86 2HG2 ILE 86 0.390 -2.973 1.988 685 HG23 ILE 86 3HG2 ILE 86 -0.313 -3.983 3.253 686 HD11 ILE 86 3HD1 ILE 86 -0.233 0.643 1.094 687 HD12 ILE 86 1HD1 ILE 86 -1.015 -0.776 0.404 688 HD13 ILE 86 2HD1 ILE 86 0.548 -0.932 1.216 689 H ASN 87 H ASN 87 -1.584 -5.080 1.130 690 HA ASN 87 HA ASN 87 -3.239 -6.627 3.063 691 HB2 ASN 87 2HB ASN 87 -2.395 -7.528 0.261 692 HB3 ASN 87 3HB ASN 87 -3.448 -8.395 1.378 693 HD21 ASN 87 1HD2 ASN 87 -3.214 -5.682 -0.825 694 HD22 ASN 87 2HD2 ASN 87 -4.911 -5.381 -0.949 695 H LYS 88 H LYS 88 -2.053 -7.837 4.398 696 HA LYS 88 HA LYS 88 0.642 -8.781 3.584 697 HB2 LYS 88 2HB LYS 88 1.709 -8.143 5.568 698 HB3 LYS 88 3HB LYS 88 0.663 -6.761 5.285 699 HG2 LYS 88 2HG LYS 88 0.097 -9.027 7.227 700 HG3 LYS 88 3HG LYS 88 0.752 -7.453 7.672 701 HD2 LYS 88 2HD LYS 88 -1.298 -6.344 7.063 702 HD3 LYS 88 3HD LYS 88 -1.943 -7.811 6.320 703 HE2 LYS 88 2HE LYS 88 -1.382 -7.436 9.283 704 HE3 LYS 88 3HE LYS 88 -2.970 -7.373 8.517 705 HZ1 LYS 88 3HZ LYS 88 -1.175 -9.734 8.703 706 HZ2 LYS 88 1HZ LYS 88 -2.603 -9.700 7.795 707 HZ3 LYS 88 2HZ LYS 88 -2.662 -9.516 9.472 708 H ASP 89 H ASP 89 1.378 -10.619 4.973 709 HA ASP 89 HA ASP 89 -0.422 -12.769 5.107 710 HB2 ASP 89 2HB ASP 89 2.002 -13.083 4.883 711 HB3 ASP 89 3HB ASP 89 2.292 -12.326 6.444 712 H ARG 90 H ARG 90 -1.497 -13.742 6.873 713 HA ARG 90 HA ARG 90 -2.848 -11.988 8.552 714 HB2 ARG 90 2HB ARG 90 -3.899 -13.935 9.566 715 HB3 ARG 90 3HB ARG 90 -3.734 -14.186 7.834 716 HG2 ARG 90 2HG ARG 90 -1.826 -15.697 8.202 717 HG3 ARG 90 3HG ARG 90 -1.900 -15.399 9.938 718 HD2 ARG 90 2HD ARG 90 -4.105 -16.709 8.306 719 HD3 ARG 90 3HD ARG 90 -2.908 -17.569 9.282 720 HE ARG 90 HE ARG 90 -4.522 -15.582 10.686 721 HH11 ARG 90 1HH1 ARG 90 -4.154 -19.010 9.900 722 HH12 ARG 90 2HH1 ARG 90 -5.163 -19.536 11.211 723 HH21 ARG 90 1HH2 ARG 90 -5.862 -16.298 12.370 724 HH22 ARG 90 2HH2 ARG 90 -6.129 -17.998 12.609 725 H MET 91 H MET 91 0.006 -13.965 9.255 726 HA MET 91 HA MET 91 -0.066 -13.603 12.092 727 HB2 MET 91 2HB MET 91 0.836 -15.647 11.030 728 HB3 MET 91 3HB MET 91 2.121 -14.713 10.280 729 HG2 MET 91 2HG MET 91 3.150 -14.302 12.397 730 HG3 MET 91 3HG MET 91 1.752 -14.930 13.263 731 HE1 MET 91 3HE MET 91 4.570 -17.657 10.775 732 HE2 MET 91 1HE MET 91 4.788 -15.914 10.881 733 HE3 MET 91 2HE MET 91 3.404 -16.577 10.009 734 H VAL 92 H VAL 92 1.467 -11.922 9.390 735 HA VAL 92 HA VAL 92 3.210 -10.247 10.979 736 HB VAL 92 HB VAL 92 2.069 -9.638 8.194 737 HG11 VAL 92 1HG1 VAL 92 4.533 -8.517 9.587 738 HG12 VAL 92 2HG1 VAL 92 3.021 -7.651 9.311 739 HG13 VAL 92 3HG1 VAL 92 4.019 -8.137 7.940 740 HG21 VAL 92 3HG2 VAL 92 4.155 -10.561 7.265 741 HG22 VAL 92 1HG2 VAL 92 3.254 -11.793 8.155 742 HG23 VAL 92 2HG2 VAL 92 4.674 -11.038 8.882 743 H HIS 93 H HIS 93 2.687 -8.274 11.953 744 HA HIS 93 HA HIS 93 -0.190 -7.571 12.095 745 HB2 HIS 93 2HB HIS 93 2.054 -6.966 14.068 746 HB3 HIS 93 3HB HIS 93 0.372 -6.501 14.275 747 HD1 HIS 93 HD1 HIS 93 -1.297 -8.337 14.988 748 HD2 HIS 93 HD2 HIS 93 2.618 -9.666 14.616 749 HE1 HIS 93 HE1 HIS 93 -1.232 -10.576 16.110 750 HE2 HIS 93 HE2 HIS 93 1.116 -11.398 15.788 751 H TRP 94 H TRP 94 -0.694 -5.287 12.425 752 HA TRP 94 HA TRP 94 0.450 -3.686 10.324 753 HB2 TRP 94 2HB TRP 94 -1.881 -3.274 12.228 754 HB3 TRP 94 3HB TRP 94 -1.388 -2.038 11.079 755 HD1 TRP 94 HD1 TRP 94 -3.718 -4.877 11.322 756 HE1 TRP 94 HE1 TRP 94 -4.580 -5.540 8.990 757 HE3 TRP 94 HE3 TRP 94 -0.334 -2.319 8.446 758 HZ2 TRP 94 HZ2 TRP 94 -3.901 -5.053 6.296 759 HZ3 TRP 94 HZ3 TRP 94 -0.507 -2.483 5.997 760 HH2 TRP 94 HH2 TRP 94 -2.256 -3.825 4.953 761 H ASN 95 H ASN 95 1.218 -3.946 13.611 762 HA ASN 95 HA ASN 95 1.412 -1.228 14.413 763 HB2 ASN 95 2HB ASN 95 2.976 -3.585 15.562 764 HB3 ASN 95 3HB ASN 95 2.605 -2.064 16.376 765 HD21 ASN 95 1HD2 ASN 95 0.440 -1.693 17.092 766 HD22 ASN 95 2HD2 ASN 95 -0.674 -3.002 17.278 767 H SER 96 H SER 96 3.601 -3.313 12.685 768 HA SER 96 HA SER 96 5.877 -1.450 12.867 769 HB2 SER 96 2HB SER 96 5.658 -4.186 11.531 770 HB3 SER 96 3HB SER 96 7.139 -3.241 11.710 771 HG SER 96 HG SER 96 6.011 -4.928 13.450 772 H ILE 97 H ILE 97 3.255 -2.237 10.733 773 HA ILE 97 HA ILE 97 4.677 -1.648 8.245 774 HB ILE 97 HB ILE 97 1.795 -2.554 8.693 775 HG12 ILE 97 2HG1 ILE 97 4.245 -4.206 7.938 776 HG13 ILE 97 3HG1 ILE 97 3.393 -4.274 9.477 777 HG21 ILE 97 1HG2 ILE 97 1.768 -3.121 6.303 778 HG22 ILE 97 2HG2 ILE 97 3.426 -2.542 6.129 779 HG23 ILE 97 3HG2 ILE 97 2.132 -1.408 6.521 780 HD11 ILE 97 3HD1 ILE 97 1.391 -5.102 8.304 781 HD12 ILE 97 1HD1 ILE 97 2.791 -6.150 8.107 782 HD13 ILE 97 2HD1 ILE 97 2.300 -5.096 6.788 783 H LYS 98 H LYS 98 1.820 -0.500 10.075 784 HA LYS 98 HA LYS 98 0.762 1.350 8.329 785 HB2 LYS 98 2HB LYS 98 0.661 1.214 11.348 786 HB3 LYS 98 3HB LYS 98 -0.168 2.503 10.481 787 HG2 LYS 98 2HG LYS 98 -1.574 0.903 9.324 788 HG3 LYS 98 3HG LYS 98 -0.659 -0.448 10.000 789 HD2 LYS 98 2HD LYS 98 -2.749 -0.230 11.200 790 HD3 LYS 98 3HD LYS 98 -1.425 0.194 12.277 791 HE2 LYS 98 2HE LYS 98 -3.140 2.247 10.833 792 HE3 LYS 98 3HE LYS 98 -3.489 1.637 12.448 793 HZ1 LYS 98 3HZ LYS 98 -2.354 3.670 12.710 794 HZ2 LYS 98 1HZ LYS 98 -1.136 3.248 11.615 795 HZ3 LYS 98 2HZ LYS 98 -1.240 2.468 13.107 796 HA PRO 99 HA PRO 99 3.171 5.080 10.451 797 HB2 PRO 99 2HB PRO 99 5.683 4.512 11.536 798 HB3 PRO 99 3HB PRO 99 4.187 4.606 12.486 799 HG2 PRO 99 2HG PRO 99 5.561 2.166 11.399 800 HG3 PRO 99 3HG PRO 99 4.863 2.437 13.015 801 HD2 PRO 99 2HD PRO 99 3.511 1.037 11.178 802 HD3 PRO 99 3HD PRO 99 2.661 2.157 12.266 803 H GLU 100 H GLU 100 5.118 2.446 9.066 804 HA GLU 100 HA GLU 100 6.995 4.119 7.736 805 HB2 GLU 100 2HB GLU 100 6.360 1.223 7.056 806 HB3 GLU 100 3HB GLU 100 7.862 2.089 6.749 807 HG2 GLU 100 2HG GLU 100 6.767 1.189 9.423 808 HG3 GLU 100 3HG GLU 100 8.206 0.592 8.606 809 H ILE 101 H ILE 101 4.130 2.306 6.621 810 HA ILE 101 HA ILE 101 4.352 3.071 3.887 811 HB ILE 101 HB ILE 101 2.132 1.744 5.483 812 HG12 ILE 101 2HG1 ILE 101 4.106 0.808 3.364 813 HG13 ILE 101 3HG1 ILE 101 4.003 0.281 5.040 814 HG21 ILE 101 1HG2 ILE 101 2.000 2.366 2.511 815 HG22 ILE 101 2HG2 ILE 101 0.978 3.081 3.756 816 HG23 ILE 101 3HG2 ILE 101 0.855 1.359 3.401 817 HD11 ILE 101 3HD1 ILE 101 1.817 -0.779 4.487 818 HD12 ILE 101 1HD1 ILE 101 3.205 -1.449 3.631 819 HD13 ILE 101 2HD1 ILE 101 2.102 -0.359 2.795 820 H ILE 102 H ILE 102 2.282 4.268 6.580 821 HA ILE 102 HA ILE 102 0.844 6.209 5.148 822 HB ILE 102 HB ILE 102 1.601 6.019 8.089 823 HG12 ILE 102 2HG1 ILE 102 -1.041 5.629 6.608 824 HG13 ILE 102 3HG1 ILE 102 -0.009 4.346 7.228 825 HG21 ILE 102 1HG2 ILE 102 -0.211 8.147 6.898 826 HG22 ILE 102 2HG2 ILE 102 1.366 8.430 7.633 827 HG23 ILE 102 3HG2 ILE 102 0.026 7.850 8.621 828 HD11 ILE 102 3HD1 ILE 102 -1.904 4.664 8.664 829 HD12 ILE 102 1HD1 ILE 102 -1.519 6.374 8.870 830 HD13 ILE 102 2HD1 ILE 102 -0.433 5.137 9.509 831 H ASP 103 H ASP 103 4.062 6.360 6.661 832 HA ASP 103 HA ASP 103 4.562 9.122 6.155 833 HB2 ASP 103 2HB ASP 103 5.879 7.715 7.802 834 HB3 ASP 103 3HB ASP 103 6.665 6.922 6.439 835 H LEU 104 H LEU 104 5.382 6.134 4.341 836 HA LEU 104 HA LEU 104 6.739 7.264 2.146 837 HB2 LEU 104 2HB LEU 104 5.076 4.723 2.354 838 HB3 LEU 104 3HB LEU 104 5.965 5.146 0.901 839 HG LEU 104 HG LEU 104 7.235 4.605 3.615 840 HD11 LEU 104 1HD1 LEU 104 6.260 2.569 2.651 841 HD12 LEU 104 2HD1 LEU 104 8.020 2.499 2.629 842 HD13 LEU 104 3HD1 LEU 104 7.135 2.844 1.139 843 HD21 LEU 104 3HD2 LEU 104 8.540 5.063 0.910 844 HD22 LEU 104 1HD2 LEU 104 9.372 4.625 2.405 845 HD23 LEU 104 2HD2 LEU 104 8.559 6.183 2.275 846 H LEU 105 H LEU 105 3.309 6.844 2.766 847 HA LEU 105 HA LEU 105 2.357 7.612 0.178 848 HB2 LEU 105 2HB LEU 105 1.109 7.009 2.844 849 HB3 LEU 105 3HB LEU 105 0.169 8.008 1.756 850 HG LEU 105 HG LEU 105 0.087 6.250 0.078 851 HD11 LEU 105 1HD1 LEU 105 1.037 4.031 0.397 852 HD12 LEU 105 2HD1 LEU 105 1.806 4.557 1.893 853 HD13 LEU 105 3HD1 LEU 105 2.295 5.260 0.352 854 HD21 LEU 105 3HD2 LEU 105 -1.613 6.219 1.840 855 HD22 LEU 105 1HD2 LEU 105 -0.601 5.158 2.822 856 HD23 LEU 105 2HD2 LEU 105 -1.256 4.584 1.284 857 H THR 106 H THR 106 3.093 9.361 3.181 858 HA THR 106 HA THR 106 1.858 11.851 2.413 859 HB THR 106 HB THR 106 3.950 11.220 4.551 860 HG1 THR 106 HG1 THR 106 1.590 10.381 4.523 861 HG21 THR 106 3HG2 THR 106 2.216 13.707 4.249 862 HG22 THR 106 1HG2 THR 106 3.971 13.646 4.043 863 HG23 THR 106 2HG2 THR 106 3.256 13.349 5.629 864 H LYS 107 H LYS 107 4.999 10.297 2.087 865 HA LYS 107 HA LYS 107 6.442 12.516 1.025 866 HB2 LYS 107 2HB LYS 107 6.965 9.521 0.928 867 HB3 LYS 107 3HB LYS 107 8.094 10.711 0.307 868 HG2 LYS 107 2HG LYS 107 7.217 10.672 3.210 869 HG3 LYS 107 3HG LYS 107 8.567 9.712 2.615 870 HD2 LYS 107 2HD LYS 107 9.591 11.635 3.497 871 HD3 LYS 107 3HD LYS 107 9.568 11.941 1.763 872 HE2 LYS 107 2HE LYS 107 7.579 13.409 2.090 873 HE3 LYS 107 3HE LYS 107 7.659 13.096 3.824 874 HZ1 LYS 107 3HZ LYS 107 9.815 14.368 2.232 875 HZ2 LYS 107 1HZ LYS 107 9.812 14.136 3.905 876 HZ3 LYS 107 2HZ LYS 107 8.705 15.197 3.195 877 H GLN 108 H GLN 108 4.969 9.614 -0.493 878 HA GLN 108 HA GLN 108 5.641 10.100 -3.170 879 HB2 GLN 108 2HB GLN 108 4.780 7.929 -2.638 880 HB3 GLN 108 3HB GLN 108 3.337 8.588 -1.875 881 HG2 GLN 108 2HG GLN 108 2.508 9.316 -4.113 882 HG3 GLN 108 3HG GLN 108 3.935 8.599 -4.859 883 HE21 GLN 108 1HE2 GLN 108 3.996 6.401 -5.166 884 HE22 GLN 108 2HE2 GLN 108 2.673 5.351 -4.828 885 H LEU 109 H LEU 109 2.647 10.889 -1.432 886 HA LEU 109 HA LEU 109 1.453 12.247 -3.651 887 HB2 LEU 109 2HB LEU 109 0.603 12.180 -0.734 888 HB3 LEU 109 3HB LEU 109 -0.386 12.739 -2.074 889 HG LEU 109 HG LEU 109 0.560 9.874 -1.619 890 HD11 LEU 109 1HD1 LEU 109 -2.230 11.052 -1.438 891 HD12 LEU 109 2HD1 LEU 109 -1.223 10.527 -0.087 892 HD13 LEU 109 3HD1 LEU 109 -1.809 9.344 -1.252 893 HD21 LEU 109 3HD2 LEU 109 -0.826 9.249 -3.558 894 HD22 LEU 109 1HD2 LEU 109 0.496 10.318 -4.017 895 HD23 LEU 109 2HD2 LEU 109 -1.147 10.954 -3.888 896 H ALA 110 H ALA 110 3.756 13.253 -1.301 897 HA ALA 110 HA ALA 110 3.223 16.083 -1.382 898 HB1 ALA 110 3HB ALA 110 5.854 14.669 -0.785 899 HB2 ALA 110 1HB ALA 110 4.620 15.100 0.401 900 HB3 ALA 110 2HB ALA 110 5.485 16.367 -0.468 901 H TYR 111 H TYR 111 4.960 13.824 -3.461 902 HA TYR 111 HA TYR 111 5.861 15.869 -5.332 903 HB2 TYR 111 2HB TYR 111 5.603 12.827 -5.665 904 HB3 TYR 111 3HB TYR 111 6.334 13.907 -6.846 905 HD1 TYR 111 HD1 TYR 111 6.687 13.066 -3.205 906 HD2 TYR 111 HD2 TYR 111 8.718 14.049 -6.819 907 HE1 TYR 111 HE1 TYR 111 8.833 12.752 -2.062 908 HE2 TYR 111 HE2 TYR 111 10.877 13.743 -5.679 909 HH TYR 111 HH TYR 111 11.135 12.307 -2.569 910 H GLY 112 H GLY 112 3.375 13.250 -5.429 911 HA2 GLY 112 2HA GLY 112 1.089 13.576 -5.547 912 HA3 GLY 112 3HA GLY 112 1.334 15.235 -6.041 913 H GLU 113 H GLU 113 3.244 13.615 -8.153 914 HA GLU 113 HA GLU 113 1.450 14.017 -10.328 915 HB2 GLU 113 2HB GLU 113 4.196 12.705 -10.264 916 HB3 GLU 113 3HB GLU 113 3.294 13.029 -11.740 917 HG2 GLU 113 2HG GLU 113 3.335 15.485 -11.130 918 HG3 GLU 113 3HG GLU 113 4.416 15.072 -9.799 919 H ASP 114 H ASP 114 3.124 10.981 -9.397 920 HA ASP 114 HA ASP 114 0.776 9.422 -10.319 921 HB2 ASP 114 2HB ASP 114 3.688 9.005 -11.181 922 HB3 ASP 114 3HB ASP 114 2.414 7.826 -11.457 923 H VAL 115 H VAL 115 0.177 8.123 -8.639 924 HA VAL 115 HA VAL 115 2.050 6.782 -6.896 925 HB VAL 115 HB VAL 115 -0.255 7.009 -6.124 926 HG11 VAL 115 1HG1 VAL 115 -2.182 5.887 -7.167 927 HG12 VAL 115 2HG1 VAL 115 -1.151 5.345 -8.495 928 HG13 VAL 115 3HG1 VAL 115 -1.445 7.068 -8.255 929 HG21 VAL 115 3HG2 VAL 115 0.975 5.022 -5.335 930 HG22 VAL 115 1HG2 VAL 115 0.321 4.071 -6.670 931 HG23 VAL 115 2HG2 VAL 115 -0.759 4.700 -5.421 932 H ILE 116 H ILE 116 0.246 5.961 -9.830 933 HA ILE 116 HA ILE 116 2.401 4.151 -10.723 934 HB ILE 116 HB ILE 116 -0.585 3.684 -11.254 935 HG12 ILE 116 2HG1 ILE 116 1.321 2.192 -9.410 936 HG13 ILE 116 3HG1 ILE 116 -0.120 3.083 -8.942 937 HG21 ILE 116 1HG2 ILE 116 1.816 1.983 -12.054 938 HG22 ILE 116 2HG2 ILE 116 0.865 2.995 -13.144 939 HG23 ILE 116 3HG2 ILE 116 0.122 1.597 -12.369 940 HD11 ILE 116 3HD1 ILE 116 -1.514 1.448 -10.055 941 HD12 ILE 116 1HD1 ILE 116 -0.464 0.691 -8.864 942 HD13 ILE 116 2HD1 ILE 116 -0.085 0.551 -10.578 943 H SER 117 H SER 117 2.952 4.482 -12.847 944 HA SER 117 HA SER 117 2.494 6.900 -14.138 945 HB2 SER 117 2HB SER 117 3.538 5.635 -16.133 946 HB3 SER 117 3HB SER 117 4.477 5.637 -14.638 947 HG SER 117 HG SER 117 2.865 3.551 -15.692 948 H LYS 118 H LYS 118 0.687 7.635 -15.131 949 HA LYS 118 HA LYS 118 -1.485 5.902 -15.874 950 HB2 LYS 118 2HB LYS 118 -2.425 8.201 -16.856 951 HB3 LYS 118 3HB LYS 118 -2.445 7.842 -15.145 952 HG2 LYS 118 2HG LYS 118 -1.800 10.126 -15.406 953 HG3 LYS 118 3HG LYS 118 -0.373 9.239 -14.874 954 HD2 LYS 118 2HD LYS 118 0.506 9.254 -17.175 955 HD3 LYS 118 3HD LYS 118 -0.948 10.081 -17.743 956 HE2 LYS 118 2HE LYS 118 0.905 11.663 -17.477 957 HE3 LYS 118 3HE LYS 118 -0.386 12.032 -16.335 958 HZ1 LYS 118 3HZ LYS 118 0.889 10.952 -14.584 959 HZ2 LYS 118 1HZ LYS 118 1.812 12.166 -15.312 960 HZ3 LYS 118 2HZ LYS 118 2.110 10.545 -15.675 961 H GLU 119 H GLU 119 -0.606 4.528 -17.352 962 HA GLU 119 HA GLU 119 -0.128 5.581 -20.090 963 HB2 GLU 119 2HB GLU 119 1.267 3.389 -20.358 964 HB3 GLU 119 3HB GLU 119 1.982 4.730 -19.472 965 HG2 GLU 119 2HG GLU 119 1.438 3.639 -17.339 966 HG3 GLU 119 3HG GLU 119 0.663 2.315 -18.200 Start of MODEL 8 1 H1 MET 1 1H MET 1 -20.920 33.663 27.422 2 H2 MET 1 2H MET 1 -20.753 34.012 25.779 3 H3 MET 1 3H MET 1 -22.285 34.050 26.498 4 HA MET 1 HA MET 1 -21.431 36.267 26.126 5 HB2 MET 1 2HB MET 1 -21.866 37.155 28.343 6 HB3 MET 1 3HB MET 1 -22.926 35.781 28.087 7 HG2 MET 1 2HG MET 1 -21.476 34.378 29.492 8 HG3 MET 1 3HG MET 1 -20.369 35.733 29.717 9 HE1 MET 1 3HE MET 1 -21.926 35.514 33.281 10 HE2 MET 1 1HE MET 1 -20.439 35.703 32.354 11 HE3 MET 1 2HE MET 1 -21.375 34.215 32.222 12 H GLY 2 H GLY 2 -19.941 37.967 27.217 13 HA2 GLY 2 2HA GLY 2 -17.934 38.547 28.308 14 HA3 GLY 2 3HA GLY 2 -17.336 36.906 28.137 15 H HIS 3 H HIS 3 -18.075 39.886 26.373 16 HA HIS 3 HA HIS 3 -16.597 39.117 24.000 17 HB2 HIS 3 2HB HIS 3 -18.642 40.589 23.915 18 HB3 HIS 3 3HB HIS 3 -17.736 41.843 24.757 19 HD1 HIS 3 HD1 HIS 3 -16.378 43.410 23.293 20 HD2 HIS 3 HD2 HIS 3 -17.581 39.994 21.248 21 HE1 HIS 3 HE1 HIS 3 -15.772 43.813 20.886 22 HE2 HIS 3 HE2 HIS 3 -16.570 41.767 19.654 23 H HIS 4 H HIS 4 -14.608 38.641 24.993 24 HA HIS 4 HA HIS 4 -13.045 40.691 26.370 25 HB2 HIS 4 2HB HIS 4 -11.376 38.817 26.654 26 HB3 HIS 4 3HB HIS 4 -12.965 38.442 27.305 27 HD1 HIS 4 HD1 HIS 4 -14.346 36.592 26.104 28 HD2 HIS 4 HD2 HIS 4 -10.569 37.189 24.468 29 HE1 HIS 4 HE1 HIS 4 -13.989 34.682 24.510 30 HE2 HIS 4 HE2 HIS 4 -11.630 34.966 23.686 31 H HIS 5 H HIS 5 -11.335 41.810 25.477 32 HA HIS 5 HA HIS 5 -10.834 41.564 22.617 33 HB2 HIS 5 2HB HIS 5 -9.397 43.621 22.931 34 HB3 HIS 5 3HB HIS 5 -11.088 43.816 23.351 35 HD1 HIS 5 HD1 HIS 5 -11.623 44.615 25.666 36 HD2 HIS 5 HD2 HIS 5 -7.605 43.645 25.228 37 HE1 HIS 5 HE1 HIS 5 -10.493 45.506 27.724 38 HE2 HIS 5 HE2 HIS 5 -8.042 45.106 27.328 39 H HIS 6 H HIS 6 -10.047 39.307 23.272 40 HA HIS 6 HA HIS 6 -7.091 39.349 23.263 41 HB2 HIS 6 2HB HIS 6 -8.857 37.311 24.701 42 HB3 HIS 6 3HB HIS 6 -7.142 37.063 24.373 43 HD1 HIS 6 HD1 HIS 6 -5.510 38.065 26.017 44 HD2 HIS 6 HD2 HIS 6 -9.401 39.415 26.596 45 HE1 HIS 6 HE1 HIS 6 -5.473 39.315 28.195 46 HE2 HIS 6 HE2 HIS 6 -7.860 40.002 28.593 47 H HIS 7 H HIS 7 -6.520 38.834 21.292 48 HA HIS 7 HA HIS 7 -7.854 36.669 19.787 49 HB2 HIS 7 2HB HIS 7 -8.631 38.743 18.758 50 HB3 HIS 7 3HB HIS 7 -7.002 39.411 18.740 51 HD1 HIS 7 HD1 HIS 7 -5.582 38.946 16.726 52 HD2 HIS 7 HD2 HIS 7 -9.017 36.586 16.808 53 HE1 HIS 7 HE1 HIS 7 -5.667 37.792 14.498 54 HE2 HIS 7 HE2 HIS 7 -7.747 36.397 14.552 55 H HIS 8 H HIS 8 -6.459 35.234 18.876 56 HA HIS 8 HA HIS 8 -3.743 35.825 18.190 57 HB2 HIS 8 2HB HIS 8 -2.720 34.094 19.755 58 HB3 HIS 8 3HB HIS 8 -3.255 35.576 20.525 59 HD1 HIS 8 HD1 HIS 8 -5.111 35.391 22.276 60 HD2 HIS 8 HD2 HIS 8 -4.180 31.751 20.487 61 HE1 HIS 8 HE1 HIS 8 -6.226 33.636 23.695 62 HE2 HIS 8 HE2 HIS 8 -5.540 31.443 22.669 63 H SER 9 H SER 9 -4.731 35.182 16.192 64 HA SER 9 HA SER 9 -5.317 32.306 15.854 65 HB2 SER 9 2HB SER 9 -6.313 33.009 13.653 66 HB3 SER 9 3HB SER 9 -7.084 33.772 15.041 67 HG SER 9 HG SER 9 -5.258 34.911 13.206 68 H HIS 10 H HIS 10 -3.046 31.797 16.061 69 HA HIS 10 HA HIS 10 -1.243 32.544 13.877 70 HB2 HIS 10 2HB HIS 10 -0.384 32.371 16.220 71 HB3 HIS 10 3HB HIS 10 -0.794 30.658 16.243 72 HD1 HIS 10 HD1 HIS 10 1.645 33.093 14.771 73 HD2 HIS 10 HD2 HIS 10 1.015 28.987 14.866 74 HE1 HIS 10 HE1 HIS 10 3.749 32.075 13.866 75 HE2 HIS 10 HE2 HIS 10 3.384 29.590 14.022 76 H MET 11 H MET 11 -1.197 31.387 12.017 77 HA MET 11 HA MET 11 -2.469 28.824 11.744 78 HB2 MET 11 2HB MET 11 -1.655 28.842 9.402 79 HB3 MET 11 3HB MET 11 -2.479 30.332 9.817 80 HG2 MET 11 2HG MET 11 -0.342 31.499 9.985 81 HG3 MET 11 3HG MET 11 0.523 29.996 9.660 82 HE1 MET 11 3HE MET 11 1.037 32.118 6.356 83 HE2 MET 11 1HE MET 11 1.864 31.197 7.611 84 HE3 MET 11 2HE MET 11 1.021 32.692 8.024 85 H ASN 12 H ASN 12 -1.600 27.087 12.679 86 HA ASN 12 HA ASN 12 1.238 26.670 13.020 87 HB2 ASN 12 2HB ASN 12 -1.087 24.719 13.307 88 HB3 ASN 12 3HB ASN 12 0.577 24.360 13.759 89 HD21 ASN 12 1HD2 ASN 12 -1.877 24.432 15.378 90 HD22 ASN 12 2HD2 ASN 12 -1.552 25.537 16.667 91 H SER 13 H SER 13 2.085 26.922 10.985 92 HA SER 13 HA SER 13 1.151 25.503 8.684 93 HB2 SER 13 2HB SER 13 2.268 27.721 8.547 94 HB3 SER 13 3HB SER 13 3.767 27.003 9.129 95 HG SER 13 HG SER 13 2.486 26.703 6.641 96 H GLN 14 H GLN 14 1.093 23.420 9.630 97 HA GLN 14 HA GLN 14 3.647 21.924 9.571 98 HB2 GLN 14 2HB GLN 14 1.150 21.328 11.240 99 HB3 GLN 14 3HB GLN 14 2.589 20.315 11.172 100 HG2 GLN 14 2HG GLN 14 2.469 23.146 12.258 101 HG3 GLN 14 3HG GLN 14 2.505 21.677 13.232 102 HE21 GLN 14 1HE2 GLN 14 4.378 23.965 13.152 103 HE22 GLN 14 2HE2 GLN 14 5.934 23.292 12.810 104 H ARG 15 H ARG 15 3.405 21.577 7.341 105 HA ARG 15 HA ARG 15 0.905 20.557 6.262 106 HB2 ARG 15 2HB ARG 15 2.298 22.220 5.005 107 HB3 ARG 15 3HB ARG 15 3.582 21.022 4.874 108 HG2 ARG 15 2HG ARG 15 2.066 19.562 3.573 109 HG3 ARG 15 3HG ARG 15 0.802 20.785 3.686 110 HD2 ARG 15 2HD ARG 15 2.276 22.376 2.463 111 HD3 ARG 15 3HD ARG 15 3.489 21.102 2.307 112 HE ARG 15 HE ARG 15 0.772 20.920 1.138 113 HH11 ARG 15 1HH1 ARG 15 4.240 20.437 0.832 114 HH12 ARG 15 2HH1 ARG 15 4.123 19.772 -0.765 115 HH21 ARG 15 1HH2 ARG 15 0.643 20.067 -0.956 116 HH22 ARG 15 2HH2 ARG 15 2.084 19.556 -1.774 117 H LEU 16 H LEU 16 0.440 18.456 6.345 118 HA LEU 16 HA LEU 16 2.405 16.495 5.490 119 HB2 LEU 16 2HB LEU 16 2.019 14.900 7.269 120 HB3 LEU 16 3HB LEU 16 2.618 16.390 7.967 121 HG LEU 16 HG LEU 16 -0.316 15.567 8.023 122 HD11 LEU 16 1HD1 LEU 16 0.026 14.891 10.369 123 HD12 LEU 16 2HD1 LEU 16 1.758 15.187 10.211 124 HD13 LEU 16 3HD1 LEU 16 0.990 13.911 9.266 125 HD21 LEU 16 3HD2 LEU 16 -0.007 17.988 8.304 126 HD22 LEU 16 1HD2 LEU 16 1.143 17.712 9.616 127 HD23 LEU 16 2HD2 LEU 16 -0.551 17.254 9.809 128 H ILE 17 H ILE 17 1.531 14.835 4.414 129 HA ILE 17 HA ILE 17 -1.062 15.161 3.264 130 HB ILE 17 HB ILE 17 1.008 12.922 3.015 131 HG12 ILE 17 2HG1 ILE 17 0.306 15.266 1.189 132 HG13 ILE 17 3HG1 ILE 17 1.734 15.152 2.206 133 HG21 ILE 17 1HG2 ILE 17 -0.202 12.117 1.027 134 HG22 ILE 17 2HG2 ILE 17 -1.460 13.325 1.284 135 HG23 ILE 17 3HG2 ILE 17 -1.238 12.030 2.456 136 HD11 ILE 17 3HD1 ILE 17 2.545 13.301 0.855 137 HD12 ILE 17 1HD1 ILE 17 2.251 14.746 -0.105 138 HD13 ILE 17 2HD1 ILE 17 1.105 13.410 -0.159 139 H HIS 18 H HIS 18 -2.725 14.884 4.584 140 HA HIS 18 HA HIS 18 -2.801 13.203 6.868 141 HB2 HIS 18 2HB HIS 18 -5.073 14.671 5.452 142 HB3 HIS 18 3HB HIS 18 -5.172 13.978 7.070 143 HD1 HIS 18 HD1 HIS 18 -4.407 17.080 5.364 144 HD2 HIS 18 HD2 HIS 18 -3.197 15.286 8.925 145 HE1 HIS 18 HE1 HIS 18 -3.390 18.918 6.740 146 HE2 HIS 18 HE2 HIS 18 -2.754 17.843 8.915 147 H ILE 19 H ILE 19 -3.345 11.126 7.054 148 HA ILE 19 HA ILE 19 -4.517 9.687 4.739 149 HB ILE 19 HB ILE 19 -2.307 8.674 6.612 150 HG12 ILE 19 2HG1 ILE 19 -1.412 10.296 4.967 151 HG13 ILE 19 3HG1 ILE 19 -0.823 8.677 4.628 152 HG21 ILE 19 1HG2 ILE 19 -3.629 7.280 4.252 153 HG22 ILE 19 2HG2 ILE 19 -3.814 6.862 5.956 154 HG23 ILE 19 3HG2 ILE 19 -2.251 6.665 5.169 155 HD11 ILE 19 3HD1 ILE 19 -3.021 10.117 3.134 156 HD12 ILE 19 1HD1 ILE 19 -2.445 8.485 2.788 157 HD13 ILE 19 2HD1 ILE 19 -1.366 9.865 2.578 158 H LYS 20 H LYS 20 -6.329 8.673 5.274 159 HA LYS 20 HA LYS 20 -7.221 8.462 8.050 160 HB2 LYS 20 2HB LYS 20 -8.587 9.668 6.327 161 HB3 LYS 20 3HB LYS 20 -8.685 8.192 5.381 162 HG2 LYS 20 2HG LYS 20 -10.767 8.545 6.534 163 HG3 LYS 20 3HG LYS 20 -9.973 7.124 7.212 164 HD2 LYS 20 2HD LYS 20 -9.281 8.377 9.170 165 HD3 LYS 20 3HD LYS 20 -9.865 9.889 8.468 166 HE2 LYS 20 2HE LYS 20 -12.170 9.149 8.637 167 HE3 LYS 20 3HE LYS 20 -11.666 7.527 9.118 168 HZ1 LYS 20 3HZ LYS 20 -10.760 8.440 11.162 169 HZ2 LYS 20 1HZ LYS 20 -12.397 8.838 11.019 170 HZ3 LYS 20 2HZ LYS 20 -11.212 10.003 10.704 171 H THR 21 H THR 21 -6.833 6.535 8.980 172 HA THR 21 HA THR 21 -6.484 4.094 7.374 173 HB THR 21 HB THR 21 -5.944 4.600 10.341 174 HG1 THR 21 HG1 THR 21 -4.428 4.915 7.996 175 HG21 THR 21 3HG2 THR 21 -4.638 2.501 10.249 176 HG22 THR 21 1HG2 THR 21 -5.130 2.251 8.568 177 HG23 THR 21 2HG2 THR 21 -6.328 2.194 9.862 178 H LEU 22 H LEU 22 -8.194 2.831 7.103 179 HA LEU 22 HA LEU 22 -10.517 2.923 8.930 180 HB2 LEU 22 2HB LEU 22 -10.474 2.945 5.876 181 HB3 LEU 22 3HB LEU 22 -11.926 2.623 6.814 182 HG LEU 22 HG LEU 22 -10.339 5.210 6.935 183 HD11 LEU 22 1HD1 LEU 22 -11.373 4.945 4.734 184 HD12 LEU 22 2HD1 LEU 22 -12.154 6.229 5.650 185 HD13 LEU 22 3HD1 LEU 22 -12.948 4.659 5.483 186 HD21 LEU 22 3HD2 LEU 22 -11.511 4.785 9.026 187 HD22 LEU 22 1HD2 LEU 22 -13.023 4.485 8.162 188 HD23 LEU 22 2HD2 LEU 22 -12.302 6.096 8.157 189 H THR 23 H THR 23 -11.436 1.012 9.387 190 HA THR 23 HA THR 23 -9.964 -1.417 8.844 191 HB THR 23 HB THR 23 -11.543 -2.454 10.451 192 HG1 THR 23 HG1 THR 23 -13.069 -0.275 9.827 193 HG21 THR 23 3HG2 THR 23 -9.574 -1.258 11.359 194 HG22 THR 23 1HG2 THR 23 -10.959 -1.134 12.448 195 HG23 THR 23 2HG2 THR 23 -10.513 0.235 11.429 196 H THR 24 H THR 24 -10.848 -3.312 7.911 197 HA THR 24 HA THR 24 -13.087 -2.902 6.025 198 HB THR 24 HB THR 24 -11.699 -4.278 4.374 199 HG1 THR 24 HG1 THR 24 -10.158 -4.803 6.303 200 HG21 THR 24 3HG2 THR 24 -10.471 -1.623 5.201 201 HG22 THR 24 1HG2 THR 24 -11.844 -1.830 4.108 202 HG23 THR 24 2HG2 THR 24 -10.249 -2.421 3.643 203 HA PRO 25 HA PRO 25 -14.912 -6.780 7.459 204 HB2 PRO 25 2HB PRO 25 -15.103 -8.252 5.025 205 HB3 PRO 25 3HB PRO 25 -16.313 -7.131 5.674 206 HG2 PRO 25 2HG PRO 25 -14.173 -6.620 3.640 207 HG3 PRO 25 3HG PRO 25 -15.856 -6.040 3.681 208 HD2 PRO 25 2HD PRO 25 -13.888 -4.390 4.345 209 HD3 PRO 25 3HD PRO 25 -15.382 -4.402 5.312 210 H ASN 26 H ASN 26 -12.138 -7.152 5.274 211 HA ASN 26 HA ASN 26 -11.230 -9.580 6.705 212 HB2 ASN 26 2HB ASN 26 -10.155 -8.275 4.153 213 HB3 ASN 26 3HB ASN 26 -9.524 -9.752 4.882 214 HD21 ASN 26 1HD2 ASN 26 -10.791 -9.245 2.213 215 HD22 ASN 26 2HD2 ASN 26 -12.089 -10.381 2.116 216 H GLU 27 H GLU 27 -9.832 -9.287 8.347 217 HA GLU 27 HA GLU 27 -8.589 -6.753 8.928 218 HB2 GLU 27 2HB GLU 27 -7.605 -7.918 10.879 219 HB3 GLU 27 3HB GLU 27 -9.332 -8.244 10.741 220 HG2 GLU 27 2HG GLU 27 -8.867 -10.437 9.745 221 HG3 GLU 27 3HG GLU 27 -7.135 -10.124 9.828 222 H ASN 28 H ASN 28 -7.645 -9.509 7.081 223 HA ASN 28 HA ASN 28 -4.825 -9.000 7.048 224 HB2 ASN 28 2HB ASN 28 -6.652 -10.591 5.224 225 HB3 ASN 28 3HB ASN 28 -4.940 -10.379 4.855 226 HD21 ASN 28 1HD2 ASN 28 -3.401 -11.428 6.111 227 HD22 ASN 28 2HD2 ASN 28 -3.812 -12.654 7.256 228 H ALA 29 H ALA 29 -7.529 -7.505 5.576 229 HA ALA 29 HA ALA 29 -5.856 -5.814 3.830 230 HB1 ALA 29 3HB ALA 29 -7.848 -6.791 2.774 231 HB2 ALA 29 1HB ALA 29 -8.015 -5.041 2.886 232 HB3 ALA 29 2HB ALA 29 -8.884 -6.084 4.015 233 H LEU 30 H LEU 30 -6.180 -3.453 3.979 234 HA LEU 30 HA LEU 30 -7.595 -2.263 6.193 235 HB2 LEU 30 2HB LEU 30 -5.447 -3.017 7.272 236 HB3 LEU 30 3HB LEU 30 -4.556 -2.025 6.133 237 HG LEU 30 HG LEU 30 -5.644 0.016 7.108 238 HD11 LEU 30 1HD1 LEU 30 -7.706 -0.985 7.972 239 HD12 LEU 30 2HD1 LEU 30 -6.848 -0.118 9.241 240 HD13 LEU 30 3HD1 LEU 30 -6.788 -1.882 9.184 241 HD21 LEU 30 3HD2 LEU 30 -3.413 -0.679 7.861 242 HD22 LEU 30 1HD2 LEU 30 -4.126 -1.713 9.104 243 HD23 LEU 30 2HD2 LEU 30 -4.316 0.040 9.189 244 H LYS 31 H LYS 31 -8.427 -0.432 5.374 245 HA LYS 31 HA LYS 31 -7.499 0.583 2.815 246 HB2 LYS 31 2HB LYS 31 -9.926 0.317 3.218 247 HB3 LYS 31 3HB LYS 31 -9.851 1.442 4.567 248 HG2 LYS 31 2HG LYS 31 -9.188 3.256 2.982 249 HG3 LYS 31 3HG LYS 31 -9.367 2.130 1.640 250 HD2 LYS 31 2HD LYS 31 -11.668 2.775 3.527 251 HD3 LYS 31 3HD LYS 31 -11.316 3.768 2.117 252 HE2 LYS 31 2HE LYS 31 -13.071 2.249 1.523 253 HE3 LYS 31 3HE LYS 31 -11.614 1.726 0.684 254 HZ1 LYS 31 3HZ LYS 31 -11.335 -0.027 2.301 255 HZ2 LYS 31 1HZ LYS 31 -12.873 -0.124 1.626 256 HZ3 LYS 31 2HZ LYS 31 -12.678 0.505 3.181 257 H PHE 32 H PHE 32 -5.972 2.102 2.659 258 HA PHE 32 HA PHE 32 -5.782 4.290 4.655 259 HB2 PHE 32 2HB PHE 32 -3.806 3.324 2.538 260 HB3 PHE 32 3HB PHE 32 -3.584 4.796 3.478 261 HD1 PHE 32 HD1 PHE 32 -3.106 4.676 5.909 262 HD2 PHE 32 HD2 PHE 32 -3.452 1.123 3.564 263 HE1 PHE 32 HE1 PHE 32 -2.036 3.385 7.707 264 HE2 PHE 32 HE2 PHE 32 -2.370 -0.162 5.367 265 HZ PHE 32 HZ PHE 32 -1.663 0.967 7.436 266 H LEU 33 H LEU 33 -6.891 6.039 4.102 267 HA LEU 33 HA LEU 33 -7.693 6.483 1.282 268 HB2 LEU 33 2HB LEU 33 -9.535 5.906 2.856 269 HB3 LEU 33 3HB LEU 33 -9.083 7.246 3.895 270 HG LEU 33 HG LEU 33 -9.693 8.836 2.066 271 HD11 LEU 33 1HD1 LEU 33 -10.981 8.050 0.129 272 HD12 LEU 33 2HD1 LEU 33 -10.677 6.377 0.601 273 HD13 LEU 33 3HD1 LEU 33 -9.335 7.421 0.128 274 HD21 LEU 33 3HD2 LEU 33 -12.143 8.597 2.297 275 HD22 LEU 33 1HD2 LEU 33 -11.321 8.334 3.834 276 HD23 LEU 33 2HD2 LEU 33 -11.935 6.958 2.916 277 H SER 34 H SER 34 -7.023 8.402 0.333 278 HA SER 34 HA SER 34 -5.402 10.261 1.888 279 HB2 SER 34 2HB SER 34 -5.151 11.385 -0.411 280 HB3 SER 34 3HB SER 34 -4.564 9.726 -0.304 281 HG SER 34 HG SER 34 -5.963 10.337 -2.172 282 H THR 35 H THR 35 -6.544 11.565 3.182 283 HA THR 35 HA THR 35 -9.097 12.787 2.303 284 HB THR 35 HB THR 35 -9.234 13.436 4.815 285 HG1 THR 35 HG1 THR 35 -6.797 12.618 4.855 286 HG21 THR 35 3HG2 THR 35 -9.244 10.477 4.092 287 HG22 THR 35 1HG2 THR 35 -10.590 11.601 3.879 288 HG23 THR 35 2HG2 THR 35 -10.027 11.196 5.499 289 H ASP 36 H ASP 36 -5.842 13.533 2.442 290 HA ASP 36 HA ASP 36 -5.918 16.270 3.249 291 HB2 ASP 36 2HB ASP 36 -3.640 16.397 2.460 292 HB3 ASP 36 3HB ASP 36 -3.848 14.837 3.238 293 H GLY 37 H GLY 37 -6.223 14.584 0.156 294 HA2 GLY 37 2HA GLY 37 -7.943 15.755 -1.317 295 HA3 GLY 37 3HA GLY 37 -6.841 17.124 -1.257 296 H GLU 38 H GLU 38 -4.671 14.721 -1.249 297 HA GLU 38 HA GLU 38 -4.156 14.979 -4.075 298 HB2 GLU 38 2HB GLU 38 -2.350 15.035 -2.306 299 HB3 GLU 38 3HB GLU 38 -2.608 13.314 -2.045 300 HG2 GLU 38 2HG GLU 38 -0.665 13.695 -3.465 301 HG3 GLU 38 3HG GLU 38 -1.923 12.851 -4.362 302 H MET 39 H MET 39 -3.878 13.158 -5.554 303 HA MET 39 HA MET 39 -5.956 11.090 -5.040 304 HB2 MET 39 2HB MET 39 -6.373 12.999 -6.769 305 HB3 MET 39 3HB MET 39 -5.194 12.179 -7.785 306 HG2 MET 39 2HG MET 39 -7.422 11.549 -8.449 307 HG3 MET 39 3HG MET 39 -6.628 10.148 -7.721 308 HE1 MET 39 3HE MET 39 -9.912 10.862 -8.171 309 HE2 MET 39 1HE MET 39 -10.516 9.981 -6.767 310 HE3 MET 39 2HE MET 39 -9.255 9.273 -7.780 311 H LEU 40 H LEU 40 -5.539 8.967 -5.695 312 HA LEU 40 HA LEU 40 -2.723 8.219 -5.871 313 HB2 LEU 40 2HB LEU 40 -5.231 6.512 -5.638 314 HB3 LEU 40 3HB LEU 40 -3.590 5.889 -5.571 315 HG LEU 40 HG LEU 40 -4.802 7.811 -3.548 316 HD11 LEU 40 1HD1 LEU 40 -4.303 4.826 -3.334 317 HD12 LEU 40 2HD1 LEU 40 -5.871 5.637 -3.404 318 HD13 LEU 40 3HD1 LEU 40 -4.820 5.881 -2.012 319 HD21 LEU 40 3HD2 LEU 40 -2.377 8.100 -3.727 320 HD22 LEU 40 1HD2 LEU 40 -2.126 6.369 -3.500 321 HD23 LEU 40 2HD2 LEU 40 -2.796 7.348 -2.192 322 H GLN 41 H GLN 41 -5.682 7.820 -7.818 323 HA GLN 41 HA GLN 41 -4.036 7.216 -10.188 324 HB2 GLN 41 2HB GLN 41 -5.096 5.101 -8.947 325 HB3 GLN 41 3HB GLN 41 -6.580 5.622 -9.720 326 HG2 GLN 41 2HG GLN 41 -5.643 3.920 -11.095 327 HG3 GLN 41 3HG GLN 41 -5.381 5.435 -11.947 328 HE21 GLN 41 1HE2 GLN 41 -3.223 6.254 -12.106 329 HE22 GLN 41 2HE2 GLN 41 -1.862 5.235 -11.811 330 H THR 42 H THR 42 -6.102 7.011 -12.094 331 HA THR 42 HA THR 42 -6.136 9.841 -12.550 332 HB THR 42 HB THR 42 -7.218 7.646 -14.388 333 HG1 THR 42 HG1 THR 42 -4.575 8.345 -13.660 334 HG21 THR 42 3HG2 THR 42 -5.891 10.315 -15.034 335 HG22 THR 42 1HG2 THR 42 -7.607 9.951 -15.206 336 HG23 THR 42 2HG2 THR 42 -6.425 9.111 -16.212 337 H ARG 43 H ARG 43 -8.423 8.077 -10.950 338 HA ARG 43 HA ARG 43 -10.600 8.201 -10.433 339 HB2 ARG 43 2HB ARG 43 -10.011 10.796 -10.507 340 HB3 ARG 43 3HB ARG 43 -11.032 10.804 -11.932 341 HG2 ARG 43 2HG ARG 43 -12.060 9.708 -9.300 342 HG3 ARG 43 3HG ARG 43 -12.035 11.439 -9.604 343 HD2 ARG 43 2HD ARG 43 -14.239 10.662 -10.090 344 HD3 ARG 43 3HD ARG 43 -13.470 11.034 -11.628 345 HE ARG 43 HE ARG 43 -13.734 8.865 -12.247 346 HH11 ARG 43 1HH1 ARG 43 -14.060 8.925 -8.726 347 HH12 ARG 43 2HH1 ARG 43 -14.539 7.260 -8.648 348 HH21 ARG 43 1HH2 ARG 43 -14.387 6.717 -12.092 349 HH22 ARG 43 2HH2 ARG 43 -14.717 6.010 -10.541 350 H GLY 44 H GLY 44 -10.437 6.371 -11.959 351 HA2 GLY 44 2HA GLY 44 -12.671 5.825 -13.336 352 HA3 GLY 44 3HA GLY 44 -11.720 6.663 -14.559 353 H SER 45 H SER 45 -10.654 4.431 -12.004 354 HA SER 45 HA SER 45 -9.858 2.436 -14.030 355 HB2 SER 45 2HB SER 45 -7.868 3.807 -13.238 356 HB3 SER 45 3HB SER 45 -8.153 3.205 -11.607 357 HG SER 45 HG SER 45 -6.614 2.095 -13.265 358 H LYS 46 H LYS 46 -9.161 0.353 -12.758 359 HA LYS 46 HA LYS 46 -11.340 -0.390 -10.916 360 HB2 LYS 46 2HB LYS 46 -10.545 -2.800 -11.522 361 HB3 LYS 46 3HB LYS 46 -11.421 -1.891 -12.738 362 HG2 LYS 46 2HG LYS 46 -9.655 -3.040 -13.856 363 HG3 LYS 46 3HG LYS 46 -9.213 -1.334 -13.830 364 HD2 LYS 46 2HD LYS 46 -7.726 -1.836 -11.846 365 HD3 LYS 46 3HD LYS 46 -8.105 -3.544 -12.059 366 HE2 LYS 46 2HE LYS 46 -6.749 -1.795 -14.144 367 HE3 LYS 46 3HE LYS 46 -5.917 -2.901 -13.054 368 HZ1 LYS 46 3HZ LYS 46 -7.084 -4.739 -14.047 369 HZ2 LYS 46 1HZ LYS 46 -6.274 -3.853 -15.248 370 HZ3 LYS 46 2HZ LYS 46 -7.947 -3.702 -15.062 371 H SER 47 H SER 47 -10.478 -2.403 -9.465 372 HA SER 47 HA SER 47 -8.489 -1.383 -7.665 373 HB2 SER 47 2HB SER 47 -9.810 -4.129 -7.794 374 HB3 SER 47 3HB SER 47 -8.876 -3.505 -6.435 375 HG SER 47 HG SER 47 -10.915 -3.015 -5.872 376 H ILE 48 H ILE 48 -6.558 -1.160 -8.803 377 HA ILE 48 HA ILE 48 -5.373 -3.301 -10.347 378 HB ILE 48 HB ILE 48 -4.013 -0.787 -9.263 379 HG12 ILE 48 2HG1 ILE 48 -5.395 -1.173 -11.953 380 HG13 ILE 48 3HG1 ILE 48 -5.989 -0.181 -10.632 381 HG21 ILE 48 1HG2 ILE 48 -3.180 -2.594 -11.569 382 HG22 ILE 48 2HG2 ILE 48 -2.399 -2.493 -9.992 383 HG23 ILE 48 3HG2 ILE 48 -2.362 -1.106 -11.077 384 HD11 ILE 48 3HD1 ILE 48 -5.003 1.159 -12.385 385 HD12 ILE 48 1HD1 ILE 48 -3.470 0.307 -12.212 386 HD13 ILE 48 2HD1 ILE 48 -4.077 1.309 -10.892 387 H VAL 49 H VAL 49 -4.966 -5.127 -9.143 388 HA VAL 49 HA VAL 49 -3.916 -4.927 -6.417 389 HB VAL 49 HB VAL 49 -4.703 -7.396 -8.049 390 HG11 VAL 49 1HG1 VAL 49 -4.088 -7.175 -5.077 391 HG12 VAL 49 2HG1 VAL 49 -3.078 -7.948 -6.301 392 HG13 VAL 49 3HG1 VAL 49 -4.658 -8.623 -5.913 393 HG21 VAL 49 3HG2 VAL 49 -6.653 -5.945 -7.640 394 HG22 VAL 49 1HG2 VAL 49 -6.316 -5.935 -5.905 395 HG23 VAL 49 2HG2 VAL 49 -6.787 -7.434 -6.710 396 H ILE 50 H ILE 50 -1.778 -4.560 -6.341 397 HA ILE 50 HA ILE 50 0.066 -5.791 -8.294 398 HB ILE 50 HB ILE 50 0.451 -3.460 -6.340 399 HG12 ILE 50 2HG1 ILE 50 0.189 -3.453 -9.395 400 HG13 ILE 50 3HG1 ILE 50 -1.026 -2.886 -8.256 401 HG21 ILE 50 1HG2 ILE 50 2.648 -3.100 -7.441 402 HG22 ILE 50 2HG2 ILE 50 2.417 -4.573 -8.384 403 HG23 ILE 50 3HG2 ILE 50 2.564 -4.664 -6.629 404 HD11 ILE 50 3HD1 ILE 50 1.681 -1.667 -8.729 405 HD12 ILE 50 1HD1 ILE 50 0.500 -1.102 -7.544 406 HD13 ILE 50 2HD1 ILE 50 0.125 -1.040 -9.267 407 H LYS 51 H LYS 51 0.779 -7.719 -7.533 408 HA LYS 51 HA LYS 51 0.966 -8.213 -4.633 409 HB2 LYS 51 2HB LYS 51 1.093 -10.182 -6.973 410 HB3 LYS 51 3HB LYS 51 1.098 -10.625 -5.266 411 HG2 LYS 51 2HG LYS 51 -1.164 -9.524 -5.065 412 HG3 LYS 51 3HG LYS 51 -1.156 -9.317 -6.809 413 HD2 LYS 51 2HD LYS 51 -0.999 -12.014 -5.415 414 HD3 LYS 51 3HD LYS 51 -2.498 -11.274 -5.962 415 HE2 LYS 51 2HE LYS 51 -1.931 -12.820 -7.643 416 HE3 LYS 51 3HE LYS 51 -1.453 -11.257 -8.305 417 HZ1 LYS 51 3HZ LYS 51 0.400 -13.163 -6.977 418 HZ2 LYS 51 1HZ LYS 51 0.828 -11.739 -7.799 419 HZ3 LYS 51 2HZ LYS 51 0.187 -13.047 -8.646 420 H ASN 52 H ASN 52 2.852 -9.272 -3.783 421 HA ASN 52 HA ASN 52 5.270 -8.006 -4.438 422 HB2 ASN 52 2HB ASN 52 6.323 -9.547 -2.763 423 HB3 ASN 52 3HB ASN 52 4.871 -8.755 -2.171 424 HD21 ASN 52 1HD2 ASN 52 4.605 -10.324 -0.566 425 HD22 ASN 52 2HD2 ASN 52 4.076 -11.934 -0.917 426 H THR 53 H THR 53 3.869 -10.837 -5.771 427 HA THR 53 HA THR 53 6.246 -12.076 -6.793 428 HB THR 53 HB THR 53 4.590 -13.441 -8.132 429 HG1 THR 53 HG1 THR 53 2.923 -12.020 -8.439 430 HG21 THR 53 3HG2 THR 53 5.198 -14.193 -5.840 431 HG22 THR 53 1HG2 THR 53 3.519 -14.575 -6.224 432 HG23 THR 53 2HG2 THR 53 3.893 -13.210 -5.170 433 H ASP 54 H ASP 54 3.828 -9.793 -8.031 434 HA ASP 54 HA ASP 54 4.775 -9.993 -10.798 435 HB2 ASP 54 2HB ASP 54 2.475 -8.400 -9.578 436 HB3 ASP 54 3HB ASP 54 2.859 -8.447 -11.296 437 H GLU 55 H GLU 55 6.869 -9.150 -10.425 438 HA GLU 55 HA GLU 55 7.368 -6.664 -9.170 439 HB2 GLU 55 2HB GLU 55 9.071 -8.491 -9.377 440 HB3 GLU 55 3HB GLU 55 9.232 -8.112 -11.091 441 HG2 GLU 55 2HG GLU 55 9.931 -5.789 -10.464 442 HG3 GLU 55 3HG GLU 55 9.867 -6.255 -8.769 443 H ASN 56 H ASN 56 6.431 -7.400 -12.430 444 HA ASN 56 HA ASN 56 7.444 -5.170 -13.802 445 HB2 ASN 56 2HB ASN 56 5.647 -5.536 -15.474 446 HB3 ASN 56 3HB ASN 56 6.413 -7.047 -15.009 447 HD21 ASN 56 1HD2 ASN 56 3.730 -6.490 -16.176 448 HD22 ASN 56 2HD2 ASN 56 2.615 -7.267 -15.112 449 H LEU 57 H LEU 57 4.410 -5.546 -11.992 450 HA LEU 57 HA LEU 57 3.450 -2.877 -12.435 451 HB2 LEU 57 2HB LEU 57 2.627 -4.951 -10.365 452 HB3 LEU 57 3HB LEU 57 1.744 -3.476 -10.721 453 HG LEU 57 HG LEU 57 2.125 -5.828 -12.613 454 HD11 LEU 57 1HD1 LEU 57 -0.296 -6.194 -12.321 455 HD12 LEU 57 2HD1 LEU 57 -0.365 -4.876 -11.149 456 HD13 LEU 57 3HD1 LEU 57 0.568 -6.330 -10.790 457 HD21 LEU 57 3HD2 LEU 57 0.594 -4.645 -14.141 458 HD22 LEU 57 1HD2 LEU 57 2.082 -3.735 -13.876 459 HD23 LEU 57 2HD2 LEU 57 0.592 -3.244 -13.068 460 H ILE 58 H ILE 58 5.252 -4.533 -9.918 461 HA ILE 58 HA ILE 58 5.302 -2.578 -7.890 462 HB ILE 58 HB ILE 58 7.374 -4.728 -8.570 463 HG12 ILE 58 2HG1 ILE 58 5.088 -4.763 -6.540 464 HG13 ILE 58 3HG1 ILE 58 5.117 -5.635 -8.069 465 HG21 ILE 58 1HG2 ILE 58 8.196 -4.524 -6.246 466 HG22 ILE 58 2HG2 ILE 58 7.098 -3.170 -5.974 467 HG23 ILE 58 3HG2 ILE 58 8.408 -3.017 -7.142 468 HD11 ILE 58 3HD1 ILE 58 5.585 -7.131 -6.263 469 HD12 ILE 58 1HD1 ILE 58 6.906 -6.111 -5.695 470 HD13 ILE 58 2HD1 ILE 58 7.037 -6.948 -7.245 471 H ASN 59 H ASN 59 7.505 -3.154 -10.635 472 HA ASN 59 HA ASN 59 9.271 -0.994 -10.116 473 HB2 ASN 59 2HB ASN 59 8.743 -2.463 -12.729 474 HB3 ASN 59 3HB ASN 59 10.079 -1.348 -12.457 475 HD21 ASN 59 1HD2 ASN 59 10.118 -4.178 -13.168 476 HD22 ASN 59 2HD2 ASN 59 11.042 -4.976 -11.942 477 H HIS 60 H HIS 60 6.217 -1.164 -11.856 478 HA HIS 60 HA HIS 60 6.381 1.451 -13.031 479 HB2 HIS 60 2HB HIS 60 4.158 -0.577 -12.659 480 HB3 HIS 60 3HB HIS 60 3.774 1.050 -13.203 481 HD1 HIS 60 HD1 HIS 60 4.812 -2.183 -14.476 482 HD2 HIS 60 HD2 HIS 60 5.199 1.773 -15.665 483 HE1 HIS 60 HE1 HIS 60 5.556 -2.273 -16.870 484 HE2 HIS 60 HE2 HIS 60 5.920 0.125 -17.521 485 H SER 61 H SER 61 5.206 0.194 -9.974 486 HA SER 61 HA SER 61 4.535 2.943 -9.082 487 HB2 SER 61 2HB SER 61 3.212 1.782 -7.252 488 HB3 SER 61 3HB SER 61 2.580 1.515 -8.875 489 HG SER 61 HG SER 61 4.420 -0.369 -8.067 490 H LYS 62 H LYS 62 6.589 3.589 -8.508 491 HA LYS 62 HA LYS 62 8.619 2.054 -7.324 492 HB2 LYS 62 2HB LYS 62 8.780 4.344 -8.477 493 HB3 LYS 62 3HB LYS 62 8.282 5.062 -6.951 494 HG2 LYS 62 2HG LYS 62 10.298 4.186 -5.856 495 HG3 LYS 62 3HG LYS 62 10.764 3.356 -7.342 496 HD2 LYS 62 2HD LYS 62 10.883 5.608 -8.481 497 HD3 LYS 62 3HD LYS 62 10.604 6.364 -6.911 498 HE2 LYS 62 2HE LYS 62 12.963 4.604 -7.653 499 HE3 LYS 62 3HE LYS 62 12.990 6.356 -7.485 500 HZ1 LYS 62 3HZ LYS 62 12.433 6.078 -5.138 501 HZ2 LYS 62 1HZ LYS 62 13.879 5.293 -5.533 502 HZ3 LYS 62 2HZ LYS 62 12.462 4.396 -5.324 503 H LEU 63 H LEU 63 5.894 3.631 -5.911 504 HA LEU 63 HA LEU 63 6.413 3.662 -3.163 505 HB2 LEU 63 2HB LEU 63 4.386 4.637 -4.228 506 HB3 LEU 63 3HB LEU 63 3.819 3.026 -4.630 507 HG LEU 63 HG LEU 63 3.622 2.525 -2.179 508 HD11 LEU 63 1HD1 LEU 63 5.237 4.084 -1.280 509 HD12 LEU 63 2HD1 LEU 63 3.659 4.372 -0.555 510 HD13 LEU 63 3HD1 LEU 63 4.265 5.462 -1.806 511 HD21 LEU 63 3HD2 LEU 63 1.978 4.904 -3.127 512 HD22 LEU 63 1HD2 LEU 63 1.547 3.800 -1.818 513 HD23 LEU 63 2HD2 LEU 63 1.644 3.206 -3.473 514 H ALA 64 H ALA 64 5.159 1.045 -5.232 515 HA ALA 64 HA ALA 64 4.645 -0.895 -3.237 516 HB1 ALA 64 3HB ALA 64 4.534 -2.513 -5.101 517 HB2 ALA 64 1HB ALA 64 5.250 -1.317 -6.188 518 HB3 ALA 64 2HB ALA 64 3.656 -1.034 -5.492 519 H GLN 65 H GLN 65 7.495 -0.222 -5.278 520 HA GLN 65 HA GLN 65 9.183 -2.329 -4.539 521 HB2 GLN 65 2HB GLN 65 9.937 0.570 -5.130 522 HB3 GLN 65 3HB GLN 65 11.093 -0.754 -5.032 523 HG2 GLN 65 2HG GLN 65 9.965 -1.860 -6.933 524 HG3 GLN 65 3HG GLN 65 8.852 -0.501 -7.054 525 HE21 GLN 65 1HE2 GLN 65 10.726 -1.573 -9.010 526 HE22 GLN 65 2HE2 GLN 65 11.754 -0.268 -9.462 527 H GLN 66 H GLN 66 8.716 0.834 -3.003 528 HA GLN 66 HA GLN 66 10.508 0.495 -0.866 529 HB2 GLN 66 2HB GLN 66 8.072 2.295 -1.118 530 HB3 GLN 66 3HB GLN 66 9.300 2.442 0.133 531 HG2 GLN 66 2HG GLN 66 9.757 2.806 -2.842 532 HG3 GLN 66 3HG GLN 66 9.618 4.093 -1.647 533 HE21 GLN 66 1HE2 GLN 66 11.651 1.558 -2.902 534 HE22 GLN 66 2HE2 GLN 66 13.101 2.028 -2.092 535 H ILE 67 H ILE 67 6.954 -0.120 -1.033 536 HA ILE 67 HA ILE 67 6.579 -0.586 1.743 537 HB ILE 67 HB ILE 67 4.862 -1.440 -0.644 538 HG12 ILE 67 2HG1 ILE 67 4.553 0.882 1.330 539 HG13 ILE 67 3HG1 ILE 67 5.055 1.021 -0.350 540 HG21 ILE 67 1HG2 ILE 67 3.013 -1.836 0.963 541 HG22 ILE 67 2HG2 ILE 67 4.115 -1.538 2.307 542 HG23 ILE 67 3HG2 ILE 67 4.369 -2.928 1.254 543 HD11 ILE 67 3HD1 ILE 67 2.342 0.149 0.638 544 HD12 ILE 67 1HD1 ILE 67 2.833 0.225 -1.056 545 HD13 ILE 67 2HD1 ILE 67 2.760 1.698 -0.091 546 H PHE 68 H PHE 68 6.970 -2.837 -1.010 547 HA PHE 68 HA PHE 68 6.894 -5.218 0.547 548 HB2 PHE 68 2HB PHE 68 7.954 -4.727 -2.265 549 HB3 PHE 68 3HB PHE 68 7.832 -6.324 -1.534 550 HD1 PHE 68 HD1 PHE 68 5.274 -6.523 -0.303 551 HD2 PHE 68 HD2 PHE 68 6.264 -4.439 -3.902 552 HE1 PHE 68 HE1 PHE 68 2.957 -6.767 -1.095 553 HE2 PHE 68 HE2 PHE 68 3.937 -4.684 -4.680 554 HZ PHE 68 HZ PHE 68 2.283 -5.850 -3.275 555 H LEU 69 H LEU 69 9.526 -3.034 -0.368 556 HA LEU 69 HA LEU 69 11.686 -4.752 0.400 557 HB2 LEU 69 2HB LEU 69 12.003 -2.887 -1.170 558 HB3 LEU 69 3HB LEU 69 11.570 -1.727 0.071 559 HG LEU 69 HG LEU 69 13.642 -2.229 1.306 560 HD11 LEU 69 1HD1 LEU 69 15.399 -3.680 0.380 561 HD12 LEU 69 2HD1 LEU 69 14.308 -4.191 -0.911 562 HD13 LEU 69 3HD1 LEU 69 13.937 -4.584 0.770 563 HD21 LEU 69 3HD2 LEU 69 13.688 -0.448 -0.397 564 HD22 LEU 69 1HD2 LEU 69 14.189 -1.611 -1.627 565 HD23 LEU 69 2HD2 LEU 69 15.256 -1.236 -0.271 566 H GLN 70 H GLN 70 9.958 -2.134 2.062 567 HA GLN 70 HA GLN 70 11.680 -2.266 4.402 568 HB2 GLN 70 2HB GLN 70 9.278 -0.511 3.759 569 HB3 GLN 70 3HB GLN 70 10.262 -0.357 5.215 570 HG2 GLN 70 2HG GLN 70 12.233 0.188 3.868 571 HG3 GLN 70 3HG GLN 70 11.313 -0.077 2.386 572 HE21 GLN 70 1HE2 GLN 70 11.791 1.990 1.665 573 HE22 GLN 70 2HE2 GLN 70 11.079 3.410 2.331 574 H CYS 71 H CYS 71 8.668 -3.658 3.404 575 HA CYS 71 HA CYS 71 8.582 -5.125 5.940 576 HB2 CYS 71 2HB CYS 71 6.827 -3.403 6.163 577 HB3 CYS 71 3HB CYS 71 6.123 -3.892 4.624 578 HG CYS 71 HG CYS 71 5.814 -5.294 7.665 579 HA PRO 72 HA PRO 72 8.421 -8.250 2.549 580 HB2 PRO 72 2HB PRO 72 9.323 -10.353 4.040 581 HB3 PRO 72 3HB PRO 72 10.416 -9.108 3.404 582 HG2 PRO 72 2HG PRO 72 9.244 -9.348 6.156 583 HG3 PRO 72 3HG PRO 72 10.923 -9.007 5.674 584 HD2 PRO 72 2HD PRO 72 9.222 -7.033 6.416 585 HD3 PRO 72 3HD PRO 72 10.480 -6.783 5.185 586 H GLY 73 H GLY 73 6.638 -7.851 5.415 587 HA2 GLY 73 2HA GLY 73 5.178 -10.332 5.435 588 HA3 GLY 73 3HA GLY 73 4.835 -8.897 6.385 589 H VAL 74 H VAL 74 4.834 -7.292 3.792 590 HA VAL 74 HA VAL 74 2.018 -7.448 3.262 591 HB VAL 74 HB VAL 74 4.142 -5.867 1.730 592 HG11 VAL 74 1HG1 VAL 74 2.283 -4.397 1.058 593 HG12 VAL 74 2HG1 VAL 74 1.132 -5.446 1.891 594 HG13 VAL 74 3HG1 VAL 74 2.035 -6.052 0.501 595 HG21 VAL 74 3HG2 VAL 74 4.237 -5.290 4.107 596 HG22 VAL 74 1HG2 VAL 74 2.500 -4.974 4.135 597 HG23 VAL 74 2HG2 VAL 74 3.575 -3.949 3.178 598 H GLU 75 H GLU 75 1.048 -8.705 1.830 599 HA GLU 75 HA GLU 75 2.600 -10.382 -0.016 600 HB2 GLU 75 2HB GLU 75 0.485 -11.716 -0.191 601 HB3 GLU 75 3HB GLU 75 1.107 -11.594 1.448 602 HG2 GLU 75 2HG GLU 75 -0.575 -9.834 1.935 603 HG3 GLU 75 3HG GLU 75 -1.192 -10.004 0.294 604 H SER 76 H SER 76 0.133 -7.866 -0.049 605 HA SER 76 HA SER 76 0.505 -7.354 -2.855 606 HB2 SER 76 2HB SER 76 -1.907 -7.757 -3.487 607 HB3 SER 76 3HB SER 76 -1.023 -9.232 -3.095 608 HG SER 76 HG SER 76 -2.122 -9.432 -1.244 609 H LEU 77 H LEU 77 -0.684 -5.542 -3.614 610 HA LEU 77 HA LEU 77 -1.810 -3.693 -1.590 611 HB2 LEU 77 2HB LEU 77 -0.373 -2.891 -4.167 612 HB3 LEU 77 3HB LEU 77 -0.885 -1.828 -2.868 613 HG LEU 77 HG LEU 77 1.391 -3.839 -2.762 614 HD11 LEU 77 1HD1 LEU 77 1.473 -0.810 -2.802 615 HD12 LEU 77 2HD1 LEU 77 1.925 -1.888 -4.127 616 HD13 LEU 77 3HD1 LEU 77 2.865 -1.884 -2.637 617 HD21 LEU 77 3HD2 LEU 77 0.343 -3.658 -0.550 618 HD22 LEU 77 1HD2 LEU 77 0.540 -1.906 -0.597 619 HD23 LEU 77 2HD2 LEU 77 1.959 -2.953 -0.562 620 H MET 78 H MET 78 -3.812 -2.865 -2.168 621 HA MET 78 HA MET 78 -4.926 -3.491 -4.846 622 HB2 MET 78 2HB MET 78 -6.219 -4.615 -3.086 623 HB3 MET 78 3HB MET 78 -6.338 -3.131 -2.152 624 HG2 MET 78 2HG MET 78 -7.726 -2.131 -3.939 625 HG3 MET 78 3HG MET 78 -7.643 -3.642 -4.843 626 HE1 MET 78 3HE MET 78 -8.828 -5.895 -4.098 627 HE2 MET 78 1HE MET 78 -9.696 -6.095 -2.574 628 HE3 MET 78 2HE MET 78 -7.947 -5.881 -2.568 629 H ILE 79 H ILE 79 -4.789 -1.706 -6.072 630 HA ILE 79 HA ILE 79 -4.615 0.951 -4.840 631 HB ILE 79 HB ILE 79 -4.196 0.140 -7.756 632 HG12 ILE 79 2HG1 ILE 79 -2.461 -0.896 -6.315 633 HG13 ILE 79 3HG1 ILE 79 -1.771 0.324 -7.375 634 HG21 ILE 79 1HG2 ILE 79 -3.587 2.764 -6.347 635 HG22 ILE 79 2HG2 ILE 79 -4.846 2.475 -7.552 636 HG23 ILE 79 3HG2 ILE 79 -3.150 2.367 -8.013 637 HD11 ILE 79 3HD1 ILE 79 -2.359 0.663 -4.434 638 HD12 ILE 79 1HD1 ILE 79 -1.657 1.889 -5.491 639 HD13 ILE 79 2HD1 ILE 79 -0.776 0.398 -5.161 640 H GLY 80 H GLY 80 -6.372 2.188 -4.779 641 HA2 GLY 80 2HA GLY 80 -8.417 2.031 -6.947 642 HA3 GLY 80 3HA GLY 80 -8.717 2.631 -5.313 643 H ASP 81 H ASP 81 -9.408 4.305 -7.251 644 HA ASP 81 HA ASP 81 -7.346 6.145 -8.043 645 HB2 ASP 81 2HB ASP 81 -10.371 6.532 -7.981 646 HB3 ASP 81 3HB ASP 81 -9.226 7.590 -8.797 647 H ASP 82 H ASP 82 -9.766 6.065 -5.521 648 HA ASP 82 HA ASP 82 -8.813 8.564 -4.290 649 HB2 ASP 82 2HB ASP 82 -11.117 8.715 -4.791 650 HB3 ASP 82 3HB ASP 82 -11.433 7.045 -4.357 651 H PHE 83 H PHE 83 -9.438 5.137 -3.634 652 HA PHE 83 HA PHE 83 -8.354 5.406 -0.882 653 HB2 PHE 83 2HB PHE 83 -9.712 3.540 -0.208 654 HB3 PHE 83 3HB PHE 83 -10.764 4.610 -1.120 655 HD1 PHE 83 HD2 PHE 83 -11.207 4.003 -3.619 656 HD2 PHE 83 HD1 PHE 83 -9.553 1.237 -0.806 657 HE1 PHE 83 HE2 PHE 83 -11.824 2.127 -5.089 658 HE2 PHE 83 HE1 PHE 83 -10.169 -0.630 -2.284 659 HZ PHE 83 HZ PHE 83 -11.304 -0.188 -4.425 660 H LEU 84 H LEU 84 -6.963 3.809 -0.106 661 HA LEU 84 HA LEU 84 -5.733 1.924 -2.038 662 HB2 LEU 84 2HB LEU 84 -4.129 3.685 -1.403 663 HB3 LEU 84 3HB LEU 84 -4.487 3.452 0.296 664 HG LEU 84 HG LEU 84 -3.417 1.216 0.210 665 HD11 LEU 84 1HD1 LEU 84 -2.061 0.537 -1.730 666 HD12 LEU 84 2HD1 LEU 84 -2.693 1.902 -2.653 667 HD13 LEU 84 3HD1 LEU 84 -3.779 0.618 -2.118 668 HD21 LEU 84 3HD2 LEU 84 -1.087 2.020 0.063 669 HD22 LEU 84 1HD2 LEU 84 -2.114 3.167 0.920 670 HD23 LEU 84 2HD2 LEU 84 -1.636 3.489 -0.747 671 H THR 85 H THR 85 -5.367 -0.212 -1.175 672 HA THR 85 HA THR 85 -6.207 -0.766 1.594 673 HB THR 85 HB THR 85 -7.227 -2.349 -0.816 674 HG1 THR 85 HG1 THR 85 -8.196 -0.130 0.363 675 HG21 THR 85 3HG2 THR 85 -8.606 -3.572 0.822 676 HG22 THR 85 1HG2 THR 85 -7.861 -2.661 2.148 677 HG23 THR 85 2HG2 THR 85 -6.897 -3.779 1.184 678 H ILE 86 H ILE 86 -4.396 -1.579 2.461 679 HA ILE 86 HA ILE 86 -2.455 -3.082 0.853 680 HB ILE 86 HB ILE 86 -2.334 -2.342 3.823 681 HG12 ILE 86 2HG1 ILE 86 -2.528 -0.305 2.406 682 HG13 ILE 86 3HG1 ILE 86 -0.970 -0.407 3.208 683 HG21 ILE 86 1HG2 ILE 86 -0.819 -4.177 3.199 684 HG22 ILE 86 2HG2 ILE 86 0.083 -2.726 3.616 685 HG23 ILE 86 3HG2 ILE 86 -0.106 -3.183 1.923 686 HD11 ILE 86 3HD1 ILE 86 0.053 -1.146 1.101 687 HD12 ILE 86 1HD1 ILE 86 -0.739 0.422 0.947 688 HD13 ILE 86 2HD1 ILE 86 -1.518 -1.023 0.306 689 H ASN 87 H ASN 87 -2.083 -5.269 1.095 690 HA ASN 87 HA ASN 87 -3.639 -6.778 3.113 691 HB2 ASN 87 2HB ASN 87 -2.762 -7.751 0.355 692 HB3 ASN 87 3HB ASN 87 -3.670 -8.685 1.543 693 HD21 ASN 87 1HD2 ASN 87 -3.822 -6.129 -0.815 694 HD22 ASN 87 2HD2 ASN 87 -5.543 -5.978 -0.835 695 H LYS 88 H LYS 88 -2.513 -8.113 4.428 696 HA LYS 88 HA LYS 88 0.365 -8.602 3.923 697 HB2 LYS 88 2HB LYS 88 1.046 -7.774 5.977 698 HB3 LYS 88 3HB LYS 88 -0.335 -6.725 5.728 699 HG2 LYS 88 2HG LYS 88 -0.212 -9.168 7.531 700 HG3 LYS 88 3HG LYS 88 -0.245 -7.484 8.041 701 HD2 LYS 88 2HD LYS 88 -2.534 -7.239 7.283 702 HD3 LYS 88 3HD LYS 88 -2.520 -8.831 6.538 703 HE2 LYS 88 2HE LYS 88 -3.755 -8.936 8.627 704 HE3 LYS 88 3HE LYS 88 -2.253 -9.844 8.821 705 HZ1 LYS 88 3HZ LYS 88 -1.298 -7.984 9.968 706 HZ2 LYS 88 1HZ LYS 88 -2.756 -8.407 10.718 707 HZ3 LYS 88 2HZ LYS 88 -2.686 -7.053 9.711 708 H ASP 89 H ASP 89 1.212 -10.410 5.329 709 HA ASP 89 HA ASP 89 -0.453 -12.742 5.230 710 HB2 ASP 89 2HB ASP 89 1.994 -12.853 4.853 711 HB3 ASP 89 3HB ASP 89 2.291 -12.325 6.503 712 H ARG 90 H ARG 90 -1.131 -14.018 7.004 713 HA ARG 90 HA ARG 90 -2.724 -12.714 8.814 714 HB2 ARG 90 2HB ARG 90 -3.138 -14.904 9.868 715 HB3 ARG 90 3HB ARG 90 -3.094 -15.035 8.116 716 HG2 ARG 90 2HG ARG 90 -0.892 -16.025 8.175 717 HG3 ARG 90 3HG ARG 90 -0.756 -15.736 9.909 718 HD2 ARG 90 2HD ARG 90 -2.658 -17.321 10.287 719 HD3 ARG 90 3HD ARG 90 -2.692 -17.650 8.548 720 HE ARG 90 HE ARG 90 -0.122 -18.159 9.190 721 HH11 ARG 90 1HH1 ARG 90 -3.154 -19.378 10.590 722 HH12 ARG 90 2HH1 ARG 90 -2.430 -20.886 11.070 723 HH21 ARG 90 1HH2 ARG 90 0.771 -20.133 9.820 724 HH22 ARG 90 2HH2 ARG 90 -0.220 -21.308 10.633 725 H MET 91 H MET 91 0.574 -13.894 9.475 726 HA MET 91 HA MET 91 0.323 -13.509 12.369 727 HB2 MET 91 2HB MET 91 2.530 -14.473 12.567 728 HB3 MET 91 3HB MET 91 1.635 -15.431 11.402 729 HG2 MET 91 2HG MET 91 2.848 -14.430 9.564 730 HG3 MET 91 3HG MET 91 3.642 -13.295 10.656 731 HE1 MET 91 3HE MET 91 2.952 -17.126 11.324 732 HE2 MET 91 1HE MET 91 4.438 -17.846 10.703 733 HE3 MET 91 2HE MET 91 3.308 -17.069 9.596 734 H VAL 92 H VAL 92 1.170 -11.544 9.735 735 HA VAL 92 HA VAL 92 3.343 -10.075 11.011 736 HB VAL 92 HB VAL 92 1.960 -9.453 8.354 737 HG11 VAL 92 1HG1 VAL 92 3.268 -7.573 9.303 738 HG12 VAL 92 2HG1 VAL 92 4.007 -8.185 7.828 739 HG13 VAL 92 3HG1 VAL 92 4.700 -8.601 9.398 740 HG21 VAL 92 3HG2 VAL 92 3.779 -10.708 7.260 741 HG22 VAL 92 1HG2 VAL 92 2.861 -11.750 8.347 742 HG23 VAL 92 2HG2 VAL 92 4.447 -11.148 8.834 743 H HIS 93 H HIS 93 3.129 -8.160 12.063 744 HA HIS 93 HA HIS 93 0.434 -7.448 12.905 745 HB2 HIS 93 2HB HIS 93 3.137 -6.492 13.932 746 HB3 HIS 93 3HB HIS 93 1.577 -6.247 14.722 747 HD1 HIS 93 HD1 HIS 93 0.437 -8.429 15.738 748 HD2 HIS 93 HD2 HIS 93 4.347 -8.945 14.438 749 HE1 HIS 93 HE1 HIS 93 1.205 -10.584 16.757 750 HE2 HIS 93 HE2 HIS 93 3.619 -10.792 16.095 751 H TRP 94 H TRP 94 -0.602 -5.611 12.315 752 HA TRP 94 HA TRP 94 0.264 -3.918 10.250 753 HB2 TRP 94 2HB TRP 94 -1.974 -3.644 12.280 754 HB3 TRP 94 3HB TRP 94 -1.659 -2.359 11.122 755 HD1 TRP 94 HD1 TRP 94 -3.871 -5.169 11.495 756 HE1 TRP 94 HE1 TRP 94 -4.802 -5.944 9.239 757 HE3 TRP 94 HE3 TRP 94 -0.572 -2.803 8.363 758 HZ2 TRP 94 HZ2 TRP 94 -4.248 -5.615 6.508 759 HZ3 TRP 94 HZ3 TRP 94 -0.847 -3.095 5.932 760 HH2 TRP 94 HH2 TRP 94 -2.649 -4.476 5.029 761 H ASN 95 H ASN 95 0.643 -3.623 13.708 762 HA ASN 95 HA ASN 95 1.293 -0.886 13.896 763 HB2 ASN 95 2HB ASN 95 0.751 -2.309 15.851 764 HB3 ASN 95 3HB ASN 95 2.258 -3.192 15.644 765 HD21 ASN 95 1HD2 ASN 95 0.875 -0.059 16.496 766 HD22 ASN 95 2HD2 ASN 95 2.249 0.517 17.368 767 H SER 96 H SER 96 3.156 -3.588 12.753 768 HA SER 96 HA SER 96 5.742 -2.235 12.859 769 HB2 SER 96 2HB SER 96 5.572 -4.672 13.336 770 HB3 SER 96 3HB SER 96 4.948 -4.953 11.714 771 HG SER 96 HG SER 96 7.468 -3.735 12.166 772 H ILE 97 H ILE 97 3.086 -2.427 10.661 773 HA ILE 97 HA ILE 97 4.762 -2.110 8.245 774 HB ILE 97 HB ILE 97 1.757 -2.647 8.255 775 HG12 ILE 97 2HG1 ILE 97 3.934 -4.797 8.214 776 HG13 ILE 97 3HG1 ILE 97 2.906 -4.440 9.595 777 HG21 ILE 97 1HG2 ILE 97 2.826 -1.907 6.134 778 HG22 ILE 97 2HG2 ILE 97 2.156 -3.528 6.023 779 HG23 ILE 97 3HG2 ILE 97 3.899 -3.311 6.195 780 HD11 ILE 97 3HD1 ILE 97 2.005 -5.503 6.924 781 HD12 ILE 97 1HD1 ILE 97 0.924 -5.053 8.245 782 HD13 ILE 97 2HD1 ILE 97 2.071 -6.376 8.455 783 H LYS 98 H LYS 98 1.999 -0.676 9.957 784 HA LYS 98 HA LYS 98 1.035 1.138 8.115 785 HB2 LYS 98 2HB LYS 98 0.942 1.242 11.148 786 HB3 LYS 98 3HB LYS 98 0.108 2.418 10.140 787 HG2 LYS 98 2HG LYS 98 -1.328 0.698 9.208 788 HG3 LYS 98 3HG LYS 98 -0.402 -0.568 10.024 789 HD2 LYS 98 2HD LYS 98 -2.502 -0.083 11.233 790 HD3 LYS 98 3HD LYS 98 -1.087 0.292 12.215 791 HE2 LYS 98 2HE LYS 98 -1.347 2.708 11.562 792 HE3 LYS 98 3HE LYS 98 -2.848 2.279 10.740 793 HZ1 LYS 98 3HZ LYS 98 -3.237 3.143 12.975 794 HZ2 LYS 98 1HZ LYS 98 -2.312 1.892 13.644 795 HZ3 LYS 98 2HZ LYS 98 -3.761 1.542 12.845 796 HA PRO 99 HA PRO 99 3.734 4.788 10.143 797 HB2 PRO 99 2HB PRO 99 6.274 3.979 10.997 798 HB3 PRO 99 3HB PRO 99 4.894 4.243 12.078 799 HG2 PRO 99 2HG PRO 99 5.901 1.662 10.914 800 HG3 PRO 99 3HG PRO 99 5.386 2.023 12.581 801 HD2 PRO 99 2HD PRO 99 3.724 0.749 10.924 802 HD3 PRO 99 3HD PRO 99 3.099 2.007 12.018 803 H GLU 100 H GLU 100 5.404 2.015 8.715 804 HA GLU 100 HA GLU 100 7.257 3.358 7.089 805 HB2 GLU 100 2HB GLU 100 6.030 0.595 6.614 806 HB3 GLU 100 3HB GLU 100 7.567 1.183 5.989 807 HG2 GLU 100 2HG GLU 100 6.890 0.604 8.886 808 HG3 GLU 100 3HG GLU 100 7.947 -0.341 7.841 809 H ILE 101 H ILE 101 4.075 1.940 6.338 810 HA ILE 101 HA ILE 101 3.985 2.574 3.591 811 HB ILE 101 HB ILE 101 1.743 1.945 5.560 812 HG12 ILE 101 2HG1 ILE 101 3.172 0.285 3.431 813 HG13 ILE 101 3HG1 ILE 101 3.302 0.090 5.177 814 HG21 ILE 101 1HG2 ILE 101 1.499 2.160 2.529 815 HG22 ILE 101 2HG2 ILE 101 0.773 3.257 3.705 816 HG23 ILE 101 3HG2 ILE 101 0.243 1.578 3.623 817 HD11 ILE 101 3HD1 ILE 101 0.925 -0.548 5.245 818 HD12 ILE 101 1HD1 ILE 101 1.911 -1.620 4.252 819 HD13 ILE 101 2HD1 ILE 101 0.872 -0.424 3.484 820 H ILE 102 H ILE 102 2.480 4.248 6.384 821 HA ILE 102 HA ILE 102 1.134 6.258 4.964 822 HB ILE 102 HB ILE 102 2.177 6.254 7.834 823 HG12 ILE 102 2HG1 ILE 102 -0.632 5.765 6.713 824 HG13 ILE 102 3HG1 ILE 102 0.471 4.512 7.273 825 HG21 ILE 102 1HG2 ILE 102 0.649 8.146 8.308 826 HG22 ILE 102 2HG2 ILE 102 0.228 8.245 6.597 827 HG23 ILE 102 3HG2 ILE 102 1.874 8.597 7.120 828 HD11 ILE 102 3HD1 ILE 102 -1.226 4.964 8.916 829 HD12 ILE 102 1HD1 ILE 102 -0.776 6.668 8.965 830 HD13 ILE 102 2HD1 ILE 102 0.355 5.437 9.535 831 H ASP 103 H ASP 103 4.435 6.157 6.277 832 HA ASP 103 HA ASP 103 5.169 8.845 5.655 833 HB2 ASP 103 2HB ASP 103 6.370 7.261 7.276 834 HB3 ASP 103 3HB ASP 103 7.080 6.473 5.870 835 H LEU 104 H LEU 104 5.533 5.775 3.897 836 HA LEU 104 HA LEU 104 6.953 6.718 1.635 837 HB2 LEU 104 2HB LEU 104 5.162 4.288 2.017 838 HB3 LEU 104 3HB LEU 104 6.127 4.556 0.570 839 HG LEU 104 HG LEU 104 7.286 4.278 3.361 840 HD11 LEU 104 1HD1 LEU 104 6.253 2.161 2.714 841 HD12 LEU 104 2HD1 LEU 104 8.008 2.020 2.721 842 HD13 LEU 104 3HD1 LEU 104 7.144 2.162 1.188 843 HD21 LEU 104 3HD2 LEU 104 8.638 4.360 0.653 844 HD22 LEU 104 1HD2 LEU 104 9.436 4.053 2.195 845 HD23 LEU 104 2HD2 LEU 104 8.684 5.614 1.895 846 H LEU 105 H LEU 105 3.506 6.444 2.320 847 HA LEU 105 HA LEU 105 2.460 7.173 -0.199 848 HB2 LEU 105 2HB LEU 105 1.395 7.067 2.603 849 HB3 LEU 105 3HB LEU 105 0.542 8.145 1.515 850 HG LEU 105 HG LEU 105 -0.028 6.319 0.018 851 HD11 LEU 105 1HD1 LEU 105 1.982 4.952 0.174 852 HD12 LEU 105 2HD1 LEU 105 0.542 3.981 0.445 853 HD13 LEU 105 3HD1 LEU 105 1.551 4.457 1.813 854 HD21 LEU 105 3HD2 LEU 105 -0.634 5.586 2.906 855 HD22 LEU 105 1HD2 LEU 105 -1.525 5.029 1.487 856 HD23 LEU 105 2HD2 LEU 105 -1.528 6.738 1.910 857 H THR 106 H THR 106 3.754 9.075 2.475 858 HA THR 106 HA THR 106 2.821 11.618 1.498 859 HB THR 106 HB THR 106 4.970 11.035 3.592 860 HG1 THR 106 HG1 THR 106 2.756 10.146 3.950 861 HG21 THR 106 3HG2 THR 106 4.960 13.399 2.809 862 HG22 THR 106 1HG2 THR 106 4.415 13.264 4.482 863 HG23 THR 106 2HG2 THR 106 3.240 13.510 3.189 864 H LYS 107 H LYS 107 5.721 9.613 1.121 865 HA LYS 107 HA LYS 107 7.445 11.488 -0.136 866 HB2 LYS 107 2HB LYS 107 7.294 8.463 -0.551 867 HB3 LYS 107 3HB LYS 107 8.634 9.484 -1.046 868 HG2 LYS 107 2HG LYS 107 7.782 8.981 1.816 869 HG3 LYS 107 3HG LYS 107 9.111 8.173 0.985 870 HD2 LYS 107 2HD LYS 107 10.210 10.419 0.696 871 HD3 LYS 107 3HD LYS 107 8.923 11.125 1.676 872 HE2 LYS 107 2HE LYS 107 9.576 9.568 3.542 873 HE3 LYS 107 3HE LYS 107 10.942 9.038 2.559 874 HZ1 LYS 107 3HZ LYS 107 10.477 11.840 3.439 875 HZ2 LYS 107 1HZ LYS 107 11.832 11.260 2.605 876 HZ3 LYS 107 2HZ LYS 107 11.535 10.754 4.192 877 H GLN 108 H GLN 108 5.194 9.051 -1.463 878 HA GLN 108 HA GLN 108 5.727 9.532 -4.214 879 HB2 GLN 108 2HB GLN 108 4.804 7.381 -3.531 880 HB3 GLN 108 3HB GLN 108 3.379 8.156 -2.840 881 HG2 GLN 108 2HG GLN 108 2.817 8.964 -5.190 882 HG3 GLN 108 3HG GLN 108 4.098 7.909 -5.780 883 HE21 GLN 108 1HE2 GLN 108 0.944 8.038 -4.279 884 HE22 GLN 108 2HE2 GLN 108 0.532 6.384 -4.549 885 H LEU 109 H LEU 109 2.988 10.454 -2.143 886 HA LEU 109 HA LEU 109 1.510 11.731 -4.207 887 HB2 LEU 109 2HB LEU 109 1.239 11.805 -1.183 888 HB3 LEU 109 3HB LEU 109 0.095 12.572 -2.266 889 HG LEU 109 HG LEU 109 0.673 9.581 -2.179 890 HD11 LEU 109 1HD1 LEU 109 -0.506 10.308 -0.155 891 HD12 LEU 109 2HD1 LEU 109 -1.553 9.321 -1.170 892 HD13 LEU 109 3HD1 LEU 109 -1.760 11.075 -1.132 893 HD21 LEU 109 3HD2 LEU 109 -1.442 11.083 -3.767 894 HD22 LEU 109 1HD2 LEU 109 -1.217 9.331 -3.719 895 HD23 LEU 109 2HD2 LEU 109 0.025 10.354 -4.431 896 H ALA 110 H ALA 110 4.119 12.810 -2.224 897 HA ALA 110 HA ALA 110 3.777 15.632 -2.382 898 HB1 ALA 110 3HB ALA 110 6.347 14.028 -2.130 899 HB2 ALA 110 1HB ALA 110 5.332 14.573 -0.796 900 HB3 ALA 110 2HB ALA 110 6.171 15.756 -1.800 901 H TYR 111 H TYR 111 4.773 13.293 -4.755 902 HA TYR 111 HA TYR 111 6.037 15.115 -6.593 903 HB2 TYR 111 2HB TYR 111 4.733 12.431 -7.195 904 HB3 TYR 111 3HB TYR 111 5.850 13.300 -8.246 905 HD1 TYR 111 HD1 TYR 111 7.937 14.062 -6.113 906 HD2 TYR 111 HD2 TYR 111 5.908 10.383 -6.912 907 HE1 TYR 111 HE1 TYR 111 9.804 12.810 -5.129 908 HE2 TYR 111 HE2 TYR 111 7.778 9.141 -5.912 909 HH TYR 111 HH TYR 111 10.173 9.464 -5.467 910 H GLY 112 H GLY 112 2.756 14.174 -5.871 911 HA2 GLY 112 2HA GLY 112 0.718 15.021 -6.539 912 HA3 GLY 112 3HA GLY 112 1.575 16.222 -7.495 913 H GLU 113 H GLU 113 2.115 12.809 -7.846 914 HA GLU 113 HA GLU 113 0.855 12.801 -10.527 915 HB2 GLU 113 2HB GLU 113 3.332 11.314 -9.532 916 HB3 GLU 113 3HB GLU 113 2.614 11.095 -11.127 917 HG2 GLU 113 2HG GLU 113 3.118 13.418 -11.704 918 HG3 GLU 113 3HG GLU 113 3.747 13.704 -10.083 919 H ASP 114 H ASP 114 0.589 10.330 -11.200 920 HA ASP 114 HA ASP 114 -1.227 9.008 -9.415 921 HB2 ASP 114 2HB ASP 114 0.135 8.025 -11.969 922 HB3 ASP 114 3HB ASP 114 -1.111 7.126 -11.113 923 H VAL 115 H VAL 115 -0.897 6.677 -8.838 924 HA VAL 115 HA VAL 115 1.397 6.241 -7.225 925 HB VAL 115 HB VAL 115 -0.803 5.285 -6.625 926 HG11 VAL 115 1HG1 VAL 115 -1.754 3.367 -7.848 927 HG12 VAL 115 2HG1 VAL 115 -0.495 3.521 -9.070 928 HG13 VAL 115 3HG1 VAL 115 -1.670 4.818 -8.844 929 HG21 VAL 115 3HG2 VAL 115 -0.104 3.000 -5.969 930 HG22 VAL 115 1HG2 VAL 115 1.196 4.164 -5.707 931 HG23 VAL 115 2HG2 VAL 115 1.253 3.080 -7.095 932 H ILE 116 H ILE 116 0.392 5.154 -10.388 933 HA ILE 116 HA ILE 116 2.963 3.834 -10.961 934 HB ILE 116 HB ILE 116 0.304 3.935 -12.482 935 HG12 ILE 116 2HG1 ILE 116 1.743 1.586 -11.143 936 HG13 ILE 116 3HG1 ILE 116 0.354 2.440 -10.483 937 HG21 ILE 116 1HG2 ILE 116 1.323 2.345 -14.122 938 HG22 ILE 116 2HG2 ILE 116 2.891 2.602 -13.355 939 HG23 ILE 116 3HG2 ILE 116 2.073 3.943 -14.148 940 HD11 ILE 116 3HD1 ILE 116 0.397 0.758 -12.981 941 HD12 ILE 116 1HD1 ILE 116 -0.999 1.662 -12.385 942 HD13 ILE 116 2HD1 ILE 116 -0.325 0.346 -11.426 943 H SER 117 H SER 117 4.413 4.806 -12.350 944 HA SER 117 HA SER 117 4.335 7.539 -12.959 945 HB2 SER 117 2HB SER 117 6.007 5.323 -14.210 946 HB3 SER 117 3HB SER 117 6.312 7.047 -14.420 947 HG SER 117 HG SER 117 6.293 6.983 -11.955 948 H LYS 118 H LYS 118 2.793 8.387 -14.170 949 HA LYS 118 HA LYS 118 1.223 7.108 -16.130 950 HB2 LYS 118 2HB LYS 118 0.477 9.077 -14.803 951 HB3 LYS 118 3HB LYS 118 1.683 10.078 -15.598 952 HG2 LYS 118 2HG LYS 118 0.514 9.641 -17.777 953 HG3 LYS 118 3HG LYS 118 -0.749 8.805 -16.870 954 HD2 LYS 118 2HD LYS 118 -1.155 10.942 -15.584 955 HD3 LYS 118 3HD LYS 118 0.022 11.742 -16.633 956 HE2 LYS 118 2HE LYS 118 -2.237 12.198 -17.417 957 HE3 LYS 118 3HE LYS 118 -1.402 11.196 -18.606 958 HZ1 LYS 118 3HZ LYS 118 -3.648 10.414 -18.234 959 HZ2 LYS 118 1HZ LYS 118 -3.362 10.247 -16.575 960 HZ3 LYS 118 2HZ LYS 118 -2.549 9.251 -17.678 961 H GLU 119 H GLU 119 3.826 9.501 -16.390 962 HA GLU 119 HA GLU 119 5.223 10.215 -17.965 963 HB2 GLU 119 2HB GLU 119 4.711 7.551 -19.365 964 HB3 GLU 119 3HB GLU 119 6.032 8.659 -19.715 965 HG2 GLU 119 2HG GLU 119 5.609 7.120 -17.137 966 HG3 GLU 119 3HG GLU 119 6.835 6.797 -18.361 Start of MODEL 9 1 H1 MET 1 1H MET 1 26.225 36.031 40.172 2 H2 MET 1 2H MET 1 27.043 36.711 38.858 3 H3 MET 1 3H MET 1 27.901 35.886 40.055 4 HA MET 1 HA MET 1 27.638 34.603 38.017 5 HB2 MET 1 2HB MET 1 26.912 32.514 39.166 6 HB3 MET 1 3HB MET 1 28.005 33.464 40.156 7 HG2 MET 1 2HG MET 1 26.032 34.312 41.439 8 HG3 MET 1 3HG MET 1 25.006 33.227 40.497 9 HE1 MET 1 3HE MET 1 28.221 31.852 43.533 10 HE2 MET 1 1HE MET 1 27.793 33.538 43.240 11 HE3 MET 1 2HE MET 1 28.673 32.621 42.014 12 H GLY 2 H GLY 2 25.356 36.616 38.095 13 HA2 GLY 2 2HA GLY 2 22.936 35.216 37.426 14 HA3 GLY 2 3HA GLY 2 23.254 36.932 37.241 15 H HIS 3 H HIS 3 24.024 33.787 35.811 16 HA HIS 3 HA HIS 3 24.872 34.784 33.267 17 HB2 HIS 3 2HB HIS 3 25.655 32.604 34.075 18 HB3 HIS 3 3HB HIS 3 24.010 31.991 34.156 19 HD1 HIS 3 HD1 HIS 3 22.851 31.381 31.880 20 HD2 HIS 3 HD2 HIS 3 26.853 32.469 31.536 21 HE1 HIS 3 HE1 HIS 3 23.542 30.691 29.570 22 HE2 HIS 3 HE2 HIS 3 26.006 31.183 29.463 23 H HIS 4 H HIS 4 23.579 35.588 31.736 24 HA HIS 4 HA HIS 4 20.805 34.598 31.450 25 HB2 HIS 4 2HB HIS 4 21.720 37.506 31.347 26 HB3 HIS 4 3HB HIS 4 20.133 36.954 30.814 27 HD1 HIS 4 HD1 HIS 4 21.998 37.971 33.820 28 HD2 HIS 4 HD2 HIS 4 18.483 35.912 32.996 29 HE1 HIS 4 HE1 HIS 4 20.724 37.915 35.986 30 HE2 HIS 4 HE2 HIS 4 18.527 36.842 35.400 31 H HIS 5 H HIS 5 21.425 33.234 29.811 32 HA HIS 5 HA HIS 5 21.369 34.536 27.175 33 HB2 HIS 5 2HB HIS 5 23.205 32.207 27.923 34 HB3 HIS 5 3HB HIS 5 22.776 32.581 26.258 35 HD1 HIS 5 HD1 HIS 5 23.815 34.770 25.233 36 HD2 HIS 5 HD2 HIS 5 25.173 33.836 29.043 37 HE1 HIS 5 HE1 HIS 5 25.838 36.208 25.603 38 HE2 HIS 5 HE2 HIS 5 26.605 35.666 27.931 39 H HIS 6 H HIS 6 19.747 33.711 25.923 40 HA HIS 6 HA HIS 6 18.764 30.993 26.256 41 HB2 HIS 6 2HB HIS 6 16.461 31.567 26.809 42 HB3 HIS 6 3HB HIS 6 17.522 32.217 28.047 43 HD1 HIS 6 HD1 HIS 6 17.463 34.749 28.422 44 HD2 HIS 6 HD2 HIS 6 15.177 33.545 25.172 45 HE1 HIS 6 HE1 HIS 6 16.007 36.714 27.847 46 HE2 HIS 6 HE2 HIS 6 14.708 35.985 25.826 47 H HIS 7 H HIS 7 17.076 30.446 24.631 48 HA HIS 7 HA HIS 7 16.456 32.224 22.472 49 HB2 HIS 7 2HB HIS 7 18.834 31.669 21.885 50 HB3 HIS 7 3HB HIS 7 18.420 29.959 21.835 51 HD1 HIS 7 HD1 HIS 7 18.104 33.141 19.904 52 HD2 HIS 7 HD2 HIS 7 16.993 29.161 19.505 53 HE1 HIS 7 HE1 HIS 7 17.387 32.881 17.515 54 HE2 HIS 7 HE2 HIS 7 16.488 30.546 17.385 55 H HIS 8 H HIS 8 14.328 31.574 22.928 56 HA HIS 8 HA HIS 8 13.504 28.819 22.423 57 HB2 HIS 8 2HB HIS 8 11.192 29.635 22.824 58 HB3 HIS 8 3HB HIS 8 12.267 30.070 24.141 59 HD1 HIS 8 HD1 HIS 8 12.589 32.568 24.624 60 HD2 HIS 8 HD2 HIS 8 10.185 31.834 21.317 61 HE1 HIS 8 HE1 HIS 8 11.495 34.762 24.078 62 HE2 HIS 8 HE2 HIS 8 10.247 34.336 21.938 63 H SER 9 H SER 9 12.885 28.050 20.465 64 HA SER 9 HA SER 9 11.761 29.693 18.361 65 HB2 SER 9 2HB SER 9 14.525 28.427 18.013 66 HB3 SER 9 3HB SER 9 13.535 28.978 16.661 67 HG SER 9 HG SER 9 13.595 31.033 18.208 68 H HIS 10 H HIS 10 10.024 28.393 17.996 69 HA HIS 10 HA HIS 10 10.491 25.505 17.545 70 HB2 HIS 10 2HB HIS 10 8.020 25.225 17.807 71 HB3 HIS 10 3HB HIS 10 8.814 25.824 19.252 72 HD1 HIS 10 HD1 HIS 10 8.325 28.329 19.906 73 HD2 HIS 10 HD2 HIS 10 6.004 26.847 16.796 74 HE1 HIS 10 HE1 HIS 10 6.364 29.885 19.727 75 HE2 HIS 10 HE2 HIS 10 5.100 29.085 17.709 76 H MET 11 H MET 11 11.111 25.315 15.500 77 HA MET 11 HA MET 11 9.900 26.726 13.273 78 HB2 MET 11 2HB MET 11 12.310 26.090 13.235 79 HB3 MET 11 3HB MET 11 11.880 24.389 13.351 80 HG2 MET 11 2HG MET 11 10.696 24.620 11.138 81 HG3 MET 11 3HG MET 11 11.370 26.250 11.017 82 HE1 MET 11 3HE MET 11 12.378 25.286 8.551 83 HE2 MET 11 1HE MET 11 11.703 23.706 8.954 84 HE3 MET 11 2HE MET 11 13.397 23.847 8.489 85 H ASN 12 H ASN 12 7.702 26.112 13.632 86 HA ASN 12 HA ASN 12 6.729 23.432 13.466 87 HB2 ASN 12 2HB ASN 12 5.350 25.205 14.465 88 HB3 ASN 12 3HB ASN 12 5.359 26.126 12.961 89 HD21 ASN 12 1HD2 ASN 12 3.149 26.124 12.644 90 HD22 ASN 12 2HD2 ASN 12 2.217 24.701 12.342 91 H SER 13 H SER 13 6.707 22.190 11.682 92 HA SER 13 HA SER 13 7.295 23.086 9.033 93 HB2 SER 13 2HB SER 13 7.874 20.808 9.860 94 HB3 SER 13 3HB SER 13 6.159 20.411 9.982 95 HG SER 13 HG SER 13 7.736 20.858 7.682 96 H GLN 14 H GLN 14 5.873 22.964 7.181 97 HA GLN 14 HA GLN 14 2.952 23.062 7.697 98 HB2 GLN 14 2HB GLN 14 3.891 25.399 7.569 99 HB3 GLN 14 3HB GLN 14 4.467 25.061 5.942 100 HG2 GLN 14 2HG GLN 14 2.120 24.711 5.200 101 HG3 GLN 14 3HG GLN 14 1.561 25.068 6.835 102 HE21 GLN 14 1HE2 GLN 14 1.667 27.217 7.594 103 HE22 GLN 14 2HE2 GLN 14 1.875 28.563 6.525 104 H ARG 15 H ARG 15 1.708 22.609 5.783 105 HA ARG 15 HA ARG 15 1.040 21.129 4.260 106 HB2 ARG 15 2HB ARG 15 2.320 22.519 2.641 107 HB3 ARG 15 3HB ARG 15 3.767 21.567 2.955 108 HG2 ARG 15 2HG ARG 15 2.671 19.561 2.029 109 HG3 ARG 15 3HG ARG 15 1.199 20.486 1.726 110 HD2 ARG 15 2HD ARG 15 2.440 21.929 0.135 111 HD3 ARG 15 3HD ARG 15 3.913 20.993 0.432 112 HE ARG 15 HE ARG 15 2.204 19.077 -0.338 113 HH11 ARG 15 1HH1 ARG 15 2.962 22.172 -1.844 114 HH12 ARG 15 2HH1 ARG 15 2.616 21.608 -3.448 115 HH21 ARG 15 1HH2 ARG 15 1.726 18.349 -2.434 116 HH22 ARG 15 2HH2 ARG 15 1.912 19.431 -3.783 117 H LEU 16 H LEU 16 1.001 19.646 5.946 118 HA LEU 16 HA LEU 16 2.884 17.381 5.720 119 HB2 LEU 16 2HB LEU 16 2.155 16.636 7.925 120 HB3 LEU 16 3HB LEU 16 2.810 18.256 8.019 121 HG LEU 16 HG LEU 16 -0.199 17.755 7.983 122 HD11 LEU 16 1HD1 LEU 16 1.581 17.927 10.441 123 HD12 LEU 16 2HD1 LEU 16 0.743 16.483 9.863 124 HD13 LEU 16 3HD1 LEU 16 -0.186 17.866 10.432 125 HD21 LEU 16 3HD2 LEU 16 -0.327 19.952 9.088 126 HD22 LEU 16 1HD2 LEU 16 0.483 20.083 7.529 127 HD23 LEU 16 2HD2 LEU 16 1.428 20.111 9.017 128 H ILE 17 H ILE 17 2.093 15.519 4.942 129 HA ILE 17 HA ILE 17 -0.385 15.717 3.478 130 HB ILE 17 HB ILE 17 1.631 13.432 3.576 131 HG12 ILE 17 2HG1 ILE 17 1.260 15.694 1.560 132 HG13 ILE 17 3HG1 ILE 17 2.548 15.600 2.753 133 HG21 ILE 17 1HG2 ILE 17 -0.566 12.601 2.804 134 HG22 ILE 17 2HG2 ILE 17 0.573 12.644 1.458 135 HG23 ILE 17 3HG2 ILE 17 -0.657 13.900 1.610 136 HD11 ILE 17 3HD1 ILE 17 3.441 13.643 1.653 137 HD12 ILE 17 1HD1 ILE 17 3.304 15.004 0.547 138 HD13 ILE 17 2HD1 ILE 17 2.132 13.690 0.468 139 H HIS 18 H HIS 18 -2.253 15.209 4.282 140 HA HIS 18 HA HIS 18 -2.595 13.790 6.764 141 HB2 HIS 18 2HB HIS 18 -4.573 15.076 4.836 142 HB3 HIS 18 3HB HIS 18 -5.018 14.382 6.396 143 HD1 HIS 18 HD1 HIS 18 -3.419 17.395 4.856 144 HD2 HIS 18 HD2 HIS 18 -4.189 15.909 8.657 145 HE1 HIS 18 HE1 HIS 18 -3.001 19.306 6.426 146 HE2 HIS 18 HE2 HIS 18 -3.565 18.407 8.698 147 H ILE 19 H ILE 19 -2.690 11.661 6.856 148 HA ILE 19 HA ILE 19 -3.935 10.050 4.706 149 HB ILE 19 HB ILE 19 -1.521 9.256 6.432 150 HG12 ILE 19 2HG1 ILE 19 -0.846 10.829 4.635 151 HG13 ILE 19 3HG1 ILE 19 -0.201 9.219 4.335 152 HG21 ILE 19 1HG2 ILE 19 -1.470 7.174 5.079 153 HG22 ILE 19 2HG2 ILE 19 -2.954 7.666 4.260 154 HG23 ILE 19 3HG2 ILE 19 -2.973 7.327 5.992 155 HD11 ILE 19 3HD1 ILE 19 -0.977 10.236 2.290 156 HD12 ILE 19 1HD1 ILE 19 -2.585 10.468 2.972 157 HD13 ILE 19 2HD1 ILE 19 -1.978 8.835 2.673 158 H LYS 20 H LYS 20 -5.721 9.122 5.536 159 HA LYS 20 HA LYS 20 -5.915 8.572 8.441 160 HB2 LYS 20 2HB LYS 20 -7.572 10.254 7.682 161 HB3 LYS 20 3HB LYS 20 -8.139 9.161 6.421 162 HG2 LYS 20 2HG LYS 20 -8.936 7.570 8.152 163 HG3 LYS 20 3HG LYS 20 -8.348 8.659 9.414 164 HD2 LYS 20 2HD LYS 20 -10.760 8.946 9.146 165 HD3 LYS 20 3HD LYS 20 -9.931 10.412 8.620 166 HE2 LYS 20 2HE LYS 20 -10.208 9.716 6.257 167 HE3 LYS 20 3HE LYS 20 -11.020 8.240 6.784 168 HZ1 LYS 20 3HZ LYS 20 -11.996 11.016 7.242 169 HZ2 LYS 20 1HZ LYS 20 -12.760 9.609 7.781 170 HZ3 LYS 20 2HZ LYS 20 -12.620 9.913 6.127 171 H THR 21 H THR 21 -6.296 6.473 8.990 172 HA THR 21 HA THR 21 -6.398 4.506 6.767 173 HB THR 21 HB THR 21 -5.173 4.098 9.538 174 HG1 THR 21 HG1 THR 21 -4.156 5.261 7.247 175 HG21 THR 21 3HG2 THR 21 -4.950 2.465 6.977 176 HG22 THR 21 1HG2 THR 21 -5.911 2.015 8.391 177 HG23 THR 21 2HG2 THR 21 -4.153 2.104 8.509 178 H LEU 22 H LEU 22 -8.407 3.677 6.662 179 HA LEU 22 HA LEU 22 -10.053 3.312 9.080 180 HB2 LEU 22 2HB LEU 22 -10.761 3.083 6.120 181 HB3 LEU 22 3HB LEU 22 -11.903 2.909 7.448 182 HG LEU 22 HG LEU 22 -10.382 5.450 6.739 183 HD11 LEU 22 1HD1 LEU 22 -12.556 6.358 6.092 184 HD12 LEU 22 2HD1 LEU 22 -13.325 4.803 6.427 185 HD13 LEU 22 3HD1 LEU 22 -12.140 4.943 5.125 186 HD21 LEU 22 3HD2 LEU 22 -10.719 5.328 9.153 187 HD22 LEU 22 1HD2 LEU 22 -12.440 5.003 8.928 188 HD23 LEU 22 2HD2 LEU 22 -11.759 6.562 8.452 189 H THR 23 H THR 23 -10.762 1.319 9.728 190 HA THR 23 HA THR 23 -9.130 -0.971 8.972 191 HB THR 23 HB THR 23 -10.218 -2.058 10.969 192 HG1 THR 23 HG1 THR 23 -12.211 -0.860 10.861 193 HG21 THR 23 3HG2 THR 23 -8.127 -0.757 11.301 194 HG22 THR 23 1HG2 THR 23 -9.191 -0.624 12.704 195 HG23 THR 23 2HG2 THR 23 -9.077 0.710 11.554 196 H THR 24 H THR 24 -10.072 -3.064 8.415 197 HA THR 24 HA THR 24 -12.712 -2.904 7.093 198 HB THR 24 HB THR 24 -11.720 -4.291 5.229 199 HG1 THR 24 HG1 THR 24 -9.830 -5.121 5.653 200 HG21 THR 24 3HG2 THR 24 -10.478 -2.482 4.090 201 HG22 THR 24 1HG2 THR 24 -10.345 -1.607 5.623 202 HG23 THR 24 2HG2 THR 24 -11.925 -1.858 4.880 203 HA PRO 25 HA PRO 25 -13.729 -6.676 9.330 204 HB2 PRO 25 2HB PRO 25 -14.933 -7.572 6.696 205 HB3 PRO 25 3HB PRO 25 -15.652 -7.566 8.325 206 HG2 PRO 25 2HG PRO 25 -16.359 -5.697 6.600 207 HG3 PRO 25 3HG PRO 25 -16.046 -5.252 8.296 208 HD2 PRO 25 2HD PRO 25 -14.279 -4.845 5.883 209 HD3 PRO 25 3HD PRO 25 -14.582 -3.762 7.262 210 H ASN 26 H ASN 26 -12.553 -7.201 5.988 211 HA ASN 26 HA ASN 26 -11.247 -9.684 6.574 212 HB2 ASN 26 2HB ASN 26 -10.158 -9.393 4.313 213 HB3 ASN 26 3HB ASN 26 -11.909 -9.333 4.288 214 HD21 ASN 26 1HD2 ASN 26 -10.018 -8.330 2.306 215 HD22 ASN 26 2HD2 ASN 26 -10.342 -6.642 2.147 216 H GLU 27 H GLU 27 -9.527 -9.882 7.805 217 HA GLU 27 HA GLU 27 -8.083 -7.649 8.857 218 HB2 GLU 27 2HB GLU 27 -6.985 -9.285 10.300 219 HB3 GLU 27 3HB GLU 27 -8.706 -9.638 10.197 220 HG2 GLU 27 2HG GLU 27 -8.252 -11.427 8.550 221 HG3 GLU 27 3HG GLU 27 -6.525 -11.096 8.668 222 H ASN 28 H ASN 28 -7.555 -9.634 6.152 223 HA ASN 28 HA ASN 28 -4.631 -9.359 6.073 224 HB2 ASN 28 2HB ASN 28 -6.597 -10.762 4.198 225 HB3 ASN 28 3HB ASN 28 -4.843 -10.766 4.006 226 HD21 ASN 28 1HD2 ASN 28 -3.560 -11.884 5.532 227 HD22 ASN 28 2HD2 ASN 28 -4.236 -13.120 6.536 228 H ALA 29 H ALA 29 -7.030 -7.314 5.444 229 HA ALA 29 HA ALA 29 -5.436 -5.812 3.465 230 HB1 ALA 29 3HB ALA 29 -7.336 -6.760 2.230 231 HB2 ALA 29 1HB ALA 29 -7.525 -5.017 2.391 232 HB3 ALA 29 2HB ALA 29 -8.478 -6.104 3.408 233 H LEU 30 H LEU 30 -5.782 -3.469 3.637 234 HA LEU 30 HA LEU 30 -7.287 -2.388 5.865 235 HB2 LEU 30 2HB LEU 30 -5.157 -3.125 6.949 236 HB3 LEU 30 3HB LEU 30 -4.252 -2.106 5.843 237 HG LEU 30 HG LEU 30 -5.289 -0.083 6.838 238 HD11 LEU 30 1HD1 LEU 30 -6.681 -1.985 8.742 239 HD12 LEU 30 2HD1 LEU 30 -7.451 -0.994 7.499 240 HD13 LEU 30 3HD1 LEU 30 -6.657 -0.224 8.869 241 HD21 LEU 30 3HD2 LEU 30 -4.148 -0.143 9.010 242 HD22 LEU 30 1HD2 LEU 30 -3.165 -0.908 7.762 243 HD23 LEU 30 2HD2 LEU 30 -4.042 -1.903 8.927 244 H LYS 31 H LYS 31 -8.019 -0.433 5.324 245 HA LYS 31 HA LYS 31 -7.290 0.618 2.698 246 HB2 LYS 31 2HB LYS 31 -9.676 0.154 3.258 247 HB3 LYS 31 3HB LYS 31 -9.607 1.363 4.537 248 HG2 LYS 31 2HG LYS 31 -9.241 3.141 2.889 249 HG3 LYS 31 3HG LYS 31 -9.188 1.951 1.581 250 HD2 LYS 31 2HD LYS 31 -11.558 1.323 2.110 251 HD3 LYS 31 3HD LYS 31 -11.590 2.587 3.344 252 HE2 LYS 31 2HE LYS 31 -11.276 4.304 1.648 253 HE3 LYS 31 3HE LYS 31 -11.070 3.074 0.400 254 HZ1 LYS 31 3HZ LYS 31 -13.555 3.445 1.978 255 HZ2 LYS 31 1HZ LYS 31 -13.335 2.400 0.673 256 HZ3 LYS 31 2HZ LYS 31 -13.301 4.071 0.433 257 H PHE 32 H PHE 32 -5.731 2.096 2.656 258 HA PHE 32 HA PHE 32 -5.583 4.313 4.602 259 HB2 PHE 32 2HB PHE 32 -3.621 3.411 2.427 260 HB3 PHE 32 3HB PHE 32 -3.382 4.809 3.470 261 HD1 PHE 32 HD2 PHE 32 -3.802 1.076 3.578 262 HD2 PHE 32 HD1 PHE 32 -2.282 4.550 5.566 263 HE1 PHE 32 HE2 PHE 32 -2.686 -0.355 5.239 264 HE2 PHE 32 HE1 PHE 32 -1.172 3.105 7.222 265 HZ PHE 32 HZ PHE 32 -1.373 0.656 7.062 266 H LEU 33 H LEU 33 -6.437 6.227 3.986 267 HA LEU 33 HA LEU 33 -6.834 6.863 1.117 268 HB2 LEU 33 2HB LEU 33 -8.994 6.109 2.086 269 HB3 LEU 33 3HB LEU 33 -8.839 7.284 3.382 270 HG LEU 33 HG LEU 33 -8.981 9.129 1.648 271 HD11 LEU 33 1HD1 LEU 33 -9.836 8.614 -0.594 272 HD12 LEU 33 2HD1 LEU 33 -9.673 6.887 -0.268 273 HD13 LEU 33 3HD1 LEU 33 -8.237 7.913 -0.326 274 HD21 LEU 33 3HD2 LEU 33 -11.366 7.255 1.790 275 HD22 LEU 33 1HD2 LEU 33 -11.417 8.960 1.327 276 HD23 LEU 33 2HD2 LEU 33 -10.946 8.507 2.963 277 H SER 34 H SER 34 -6.349 8.959 0.581 278 HA SER 34 HA SER 34 -5.026 10.622 2.618 279 HB2 SER 34 2HB SER 34 -5.162 11.006 -0.405 280 HB3 SER 34 3HB SER 34 -4.080 11.832 0.722 281 HG SER 34 HG SER 34 -4.086 9.113 -0.040 282 H THR 35 H THR 35 -6.281 12.079 3.634 283 HA THR 35 HA THR 35 -8.933 12.731 2.703 284 HB THR 35 HB THR 35 -8.985 14.115 4.857 285 HG1 THR 35 HG1 THR 35 -7.201 14.267 6.021 286 HG21 THR 35 3HG2 THR 35 -9.835 11.804 4.863 287 HG22 THR 35 1HG2 THR 35 -8.962 12.127 6.359 288 HG23 THR 35 2HG2 THR 35 -8.197 11.176 5.083 289 H ASP 36 H ASP 36 -5.904 14.116 2.087 290 HA ASP 36 HA ASP 36 -6.669 16.831 1.605 291 HB2 ASP 36 2HB ASP 36 -4.488 15.204 0.219 292 HB3 ASP 36 3HB ASP 36 -4.605 16.961 0.258 293 H GLY 37 H GLY 37 -7.010 13.833 -0.142 294 HA2 GLY 37 2HA GLY 37 -8.560 13.473 -1.908 295 HA3 GLY 37 3HA GLY 37 -8.380 15.148 -2.415 296 H GLU 38 H GLU 38 -5.761 12.889 -1.607 297 HA GLU 38 HA GLU 38 -4.505 13.314 -4.199 298 HB2 GLU 38 2HB GLU 38 -3.536 11.518 -1.937 299 HB3 GLU 38 3HB GLU 38 -2.592 12.131 -3.286 300 HG2 GLU 38 2HG GLU 38 -3.702 13.730 -0.964 301 HG3 GLU 38 3HG GLU 38 -2.009 13.342 -1.270 302 H MET 39 H MET 39 -6.089 12.349 -5.485 303 HA MET 39 HA MET 39 -6.867 9.583 -5.280 304 HB2 MET 39 2HB MET 39 -8.368 11.270 -6.248 305 HB3 MET 39 3HB MET 39 -7.201 11.646 -7.507 306 HG2 MET 39 2HG MET 39 -7.511 9.457 -8.503 307 HG3 MET 39 3HG MET 39 -8.577 8.967 -7.188 308 HE1 MET 39 3HE MET 39 -10.954 9.846 -6.805 309 HE2 MET 39 1HE MET 39 -11.705 11.153 -7.722 310 HE3 MET 39 2HE MET 39 -10.335 11.494 -6.666 311 H LEU 40 H LEU 40 -5.986 7.839 -6.321 312 HA LEU 40 HA LEU 40 -3.248 8.079 -7.237 313 HB2 LEU 40 2HB LEU 40 -5.045 5.627 -7.014 314 HB3 LEU 40 3HB LEU 40 -3.306 5.595 -7.284 315 HG LEU 40 HG LEU 40 -4.652 6.674 -4.775 316 HD11 LEU 40 1HD1 LEU 40 -3.790 4.665 -3.660 317 HD12 LEU 40 2HD1 LEU 40 -3.240 4.030 -5.214 318 HD13 LEU 40 3HD1 LEU 40 -4.966 4.284 -4.916 319 HD21 LEU 40 3HD2 LEU 40 -2.510 7.793 -5.186 320 HD22 LEU 40 1HD2 LEU 40 -1.695 6.232 -5.348 321 HD23 LEU 40 2HD2 LEU 40 -2.388 6.717 -3.798 322 H GLN 41 H GLN 41 -6.214 6.665 -8.603 323 HA GLN 41 HA GLN 41 -5.135 6.798 -11.358 324 HB2 GLN 41 2HB GLN 41 -7.544 5.217 -10.335 325 HB3 GLN 41 3HB GLN 41 -6.754 5.049 -11.894 326 HG2 GLN 41 2HG GLN 41 -5.549 4.305 -9.215 327 HG3 GLN 41 3HG GLN 41 -6.240 3.178 -10.384 328 HE21 GLN 41 1HE2 GLN 41 -5.075 2.737 -12.294 329 HE22 GLN 41 2HE2 GLN 41 -3.391 3.091 -12.441 330 H THR 42 H THR 42 -7.688 6.676 -12.660 331 HA THR 42 HA THR 42 -8.796 9.362 -12.326 332 HB THR 42 HB THR 42 -9.485 7.087 -14.258 333 HG1 THR 42 HG1 THR 42 -7.403 8.670 -14.202 334 HG21 THR 42 3HG2 THR 42 -10.633 8.787 -15.627 335 HG22 THR 42 1HG2 THR 42 -10.339 10.002 -14.390 336 HG23 THR 42 2HG2 THR 42 -11.406 8.634 -14.043 337 H ARG 43 H ARG 43 -11.051 9.751 -11.674 338 HA ARG 43 HA ARG 43 -12.042 8.071 -9.630 339 HB2 ARG 43 2HB ARG 43 -12.541 10.531 -9.802 340 HB3 ARG 43 3HB ARG 43 -13.610 10.201 -11.160 341 HG2 ARG 43 2HG ARG 43 -14.932 10.514 -9.130 342 HG3 ARG 43 3HG ARG 43 -15.066 8.836 -9.661 343 HD2 ARG 43 2HD ARG 43 -13.346 8.195 -7.984 344 HD3 ARG 43 3HD ARG 43 -13.279 9.863 -7.424 345 HE ARG 43 HE ARG 43 -15.845 9.359 -7.032 346 HH11 ARG 43 1HH1 ARG 43 -13.104 7.250 -6.358 347 HH12 ARG 43 2HH1 ARG 43 -13.878 6.466 -5.018 348 HH21 ARG 43 1HH2 ARG 43 -16.812 8.356 -5.182 349 HH22 ARG 43 2HH2 ARG 43 -15.962 7.086 -4.359 350 H GLY 44 H GLY 44 -13.024 6.165 -9.790 351 HA2 GLY 44 2HA GLY 44 -14.821 4.748 -10.423 352 HA3 GLY 44 3HA GLY 44 -14.951 5.595 -11.956 353 H SER 45 H SER 45 -11.740 4.744 -10.963 354 HA SER 45 HA SER 45 -11.450 2.854 -13.137 355 HB2 SER 45 2HB SER 45 -9.493 3.786 -11.001 356 HB3 SER 45 3HB SER 45 -9.067 2.694 -12.323 357 HG SER 45 HG SER 45 -10.253 5.215 -12.764 358 H LYS 46 H LYS 46 -10.126 0.805 -12.653 359 HA LYS 46 HA LYS 46 -11.670 -0.891 -10.844 360 HB2 LYS 46 2HB LYS 46 -9.476 -1.629 -12.827 361 HB3 LYS 46 3HB LYS 46 -10.570 -2.752 -12.039 362 HG2 LYS 46 2HG LYS 46 -11.491 -0.607 -13.981 363 HG3 LYS 46 3HG LYS 46 -11.039 -2.235 -14.473 364 HD2 LYS 46 2HD LYS 46 -13.369 -2.368 -14.343 365 HD3 LYS 46 3HD LYS 46 -12.867 -3.033 -12.792 366 HE2 LYS 46 2HE LYS 46 -13.425 -0.930 -11.678 367 HE3 LYS 46 3HE LYS 46 -13.783 -0.170 -13.231 368 HZ1 LYS 46 3HZ LYS 46 -15.787 -0.892 -12.048 369 HZ2 LYS 46 1HZ LYS 46 -15.269 -2.497 -12.108 370 HZ3 LYS 46 2HZ LYS 46 -15.629 -1.667 -13.542 371 H SER 47 H SER 47 -10.676 -2.292 -9.305 372 HA SER 47 HA SER 47 -8.451 -1.188 -7.852 373 HB2 SER 47 2HB SER 47 -9.998 -3.778 -7.377 374 HB3 SER 47 3HB SER 47 -8.953 -2.952 -6.220 375 HG SER 47 HG SER 47 -10.826 -2.094 -5.661 376 H ILE 48 H ILE 48 -6.644 -1.367 -9.099 377 HA ILE 48 HA ILE 48 -5.880 -3.684 -10.621 378 HB ILE 48 HB ILE 48 -4.305 -1.167 -9.885 379 HG12 ILE 48 2HG1 ILE 48 -5.829 -1.876 -12.434 380 HG13 ILE 48 3HG1 ILE 48 -6.314 -0.680 -11.240 381 HG21 ILE 48 1HG2 ILE 48 -3.597 -3.270 -11.967 382 HG22 ILE 48 2HG2 ILE 48 -2.739 -2.976 -10.455 383 HG23 ILE 48 3HG2 ILE 48 -2.745 -1.745 -11.716 384 HD11 ILE 48 3HD1 ILE 48 -5.394 0.383 -13.190 385 HD12 ILE 48 1HD1 ILE 48 -3.890 -0.524 -13.031 386 HD13 ILE 48 2HD1 ILE 48 -4.341 0.667 -11.806 387 H VAL 49 H VAL 49 -5.151 -5.509 -9.640 388 HA VAL 49 HA VAL 49 -4.007 -5.401 -6.942 389 HB VAL 49 HB VAL 49 -4.786 -7.807 -8.668 390 HG11 VAL 49 1HG1 VAL 49 -4.000 -7.722 -5.730 391 HG12 VAL 49 2HG1 VAL 49 -3.033 -8.399 -7.044 392 HG13 VAL 49 3HG1 VAL 49 -4.570 -9.145 -6.607 393 HG21 VAL 49 3HG2 VAL 49 -6.759 -7.999 -7.197 394 HG22 VAL 49 1HG2 VAL 49 -6.743 -6.446 -8.036 395 HG23 VAL 49 2HG2 VAL 49 -6.273 -6.535 -6.337 396 H ILE 50 H ILE 50 -1.881 -4.976 -6.907 397 HA ILE 50 HA ILE 50 -0.025 -6.277 -8.812 398 HB ILE 50 HB ILE 50 0.381 -3.878 -6.938 399 HG12 ILE 50 2HG1 ILE 50 0.202 -3.962 -9.987 400 HG13 ILE 50 3HG1 ILE 50 -1.065 -3.379 -8.916 401 HG21 ILE 50 1HG2 ILE 50 2.327 -5.124 -8.914 402 HG22 ILE 50 2HG2 ILE 50 2.473 -5.125 -7.155 403 HG23 ILE 50 3HG2 ILE 50 2.591 -3.610 -8.051 404 HD11 ILE 50 3HD1 ILE 50 0.115 -1.543 -9.903 405 HD12 ILE 50 1HD1 ILE 50 1.659 -2.146 -9.299 406 HD13 ILE 50 2HD1 ILE 50 0.426 -1.574 -8.169 407 H LYS 51 H LYS 51 0.594 -8.209 -7.927 408 HA LYS 51 HA LYS 51 0.722 -8.534 -4.999 409 HB2 LYS 51 2HB LYS 51 0.954 -10.601 -7.238 410 HB3 LYS 51 3HB LYS 51 0.972 -10.973 -5.516 411 HG2 LYS 51 2HG LYS 51 -1.331 -10.114 -5.292 412 HG3 LYS 51 3HG LYS 51 -1.358 -9.711 -7.008 413 HD2 LYS 51 2HD LYS 51 -1.027 -12.537 -5.909 414 HD3 LYS 51 3HD LYS 51 -2.557 -11.852 -6.452 415 HE2 LYS 51 2HE LYS 51 -1.663 -11.614 -8.730 416 HE3 LYS 51 3HE LYS 51 -0.100 -12.236 -8.195 417 HZ1 LYS 51 3HZ LYS 51 -1.226 -14.336 -7.610 418 HZ2 LYS 51 1HZ LYS 51 -1.354 -13.978 -9.259 419 HZ3 LYS 51 2HZ LYS 51 -2.672 -13.730 -8.234 420 H ASN 52 H ASN 52 2.605 -9.763 -4.124 421 HA ASN 52 HA ASN 52 5.068 -8.505 -4.699 422 HB2 ASN 52 2HB ASN 52 6.027 -10.046 -3.015 423 HB3 ASN 52 3HB ASN 52 4.524 -9.330 -2.452 424 HD21 ASN 52 1HD2 ASN 52 5.775 -11.703 -1.473 425 HD22 ASN 52 2HD2 ASN 52 4.681 -13.013 -1.717 426 H THR 53 H THR 53 3.605 -11.402 -5.958 427 HA THR 53 HA THR 53 6.016 -12.523 -7.100 428 HB THR 53 HB THR 53 4.118 -13.974 -6.425 429 HG1 THR 53 HG1 THR 53 5.098 -15.155 -7.860 430 HG21 THR 53 3HG2 THR 53 2.229 -12.498 -7.044 431 HG22 THR 53 1HG2 THR 53 2.057 -14.104 -7.768 432 HG23 THR 53 2HG2 THR 53 2.591 -12.741 -8.752 433 H ASP 54 H ASP 54 3.637 -10.172 -7.999 434 HA ASP 54 HA ASP 54 4.352 -10.147 -10.841 435 HB2 ASP 54 2HB ASP 54 2.430 -8.383 -9.255 436 HB3 ASP 54 3HB ASP 54 2.676 -8.288 -10.994 437 H GLU 55 H GLU 55 6.629 -9.716 -9.901 438 HA GLU 55 HA GLU 55 7.286 -7.146 -8.882 439 HB2 GLU 55 2HB GLU 55 8.739 -9.158 -8.588 440 HB3 GLU 55 3HB GLU 55 9.131 -9.113 -10.306 441 HG2 GLU 55 2HG GLU 55 10.288 -6.994 -10.059 442 HG3 GLU 55 3HG GLU 55 9.712 -6.808 -8.409 443 H ASN 56 H ASN 56 6.704 -8.356 -12.082 444 HA ASN 56 HA ASN 56 7.907 -6.381 -13.685 445 HB2 ASN 56 2HB ASN 56 6.409 -7.141 -15.464 446 HB3 ASN 56 3HB ASN 56 6.963 -8.534 -14.550 447 HD21 ASN 56 1HD2 ASN 56 4.212 -6.662 -15.502 448 HD22 ASN 56 2HD2 ASN 56 3.005 -7.674 -14.791 449 H LEU 57 H LEU 57 4.707 -6.479 -12.111 450 HA LEU 57 HA LEU 57 3.772 -3.959 -13.110 451 HB2 LEU 57 2HB LEU 57 2.889 -5.594 -10.700 452 HB3 LEU 57 3HB LEU 57 2.045 -4.169 -11.279 453 HG LEU 57 HG LEU 57 2.359 -6.760 -12.861 454 HD11 LEU 57 1HD1 LEU 57 -0.015 -7.143 -12.389 455 HD12 LEU 57 2HD1 LEU 57 -0.085 -5.674 -11.412 456 HD13 LEU 57 3HD1 LEU 57 0.901 -7.037 -10.884 457 HD21 LEU 57 3HD2 LEU 57 2.172 -4.808 -14.320 458 HD22 LEU 57 1HD2 LEU 57 0.727 -4.271 -13.463 459 HD23 LEU 57 2HD2 LEU 57 0.704 -5.774 -14.392 460 H ILE 58 H ILE 58 5.354 -5.049 -10.165 461 HA ILE 58 HA ILE 58 5.328 -2.710 -8.617 462 HB ILE 58 HB ILE 58 7.415 -4.950 -8.629 463 HG12 ILE 58 2HG1 ILE 58 4.959 -4.615 -6.834 464 HG13 ILE 58 3HG1 ILE 58 5.032 -5.691 -8.221 465 HG21 ILE 58 1HG2 ILE 58 7.927 -4.257 -6.300 466 HG22 ILE 58 2HG2 ILE 58 6.850 -2.873 -6.481 467 HG23 ILE 58 3HG2 ILE 58 8.307 -2.987 -7.467 468 HD11 ILE 58 3HD1 ILE 58 6.793 -6.983 -7.125 469 HD12 ILE 58 1HD1 ILE 58 5.323 -6.904 -6.156 470 HD13 ILE 58 2HD1 ILE 58 6.712 -5.906 -5.728 471 H ASN 59 H ASN 59 7.677 -3.796 -11.089 472 HA ASN 59 HA ASN 59 9.603 -1.783 -10.895 473 HB2 ASN 59 2HB ASN 59 8.624 -3.178 -13.421 474 HB3 ASN 59 3HB ASN 59 10.123 -2.268 -13.290 475 HD21 ASN 59 1HD2 ASN 59 10.858 -3.301 -10.643 476 HD22 ASN 59 2HD2 ASN 59 11.300 -4.949 -10.882 477 H HIS 60 H HIS 60 6.458 -1.728 -12.426 478 HA HIS 60 HA HIS 60 6.821 0.967 -13.559 479 HB2 HIS 60 2HB HIS 60 4.546 -1.062 -13.830 480 HB3 HIS 60 3HB HIS 60 4.584 0.516 -14.619 481 HD1 HIS 60 HD1 HIS 60 5.522 -2.944 -15.175 482 HD2 HIS 60 HD2 HIS 60 6.896 0.755 -16.482 483 HE1 HIS 60 HE1 HIS 60 6.948 -3.424 -17.185 484 HE2 HIS 60 HE2 HIS 60 7.909 -1.196 -17.834 485 H SER 61 H SER 61 6.352 0.115 -10.572 486 HA SER 61 HA SER 61 4.357 2.192 -9.934 487 HB2 SER 61 2HB SER 61 4.417 -0.568 -8.627 488 HB3 SER 61 3HB SER 61 3.275 0.733 -8.290 489 HG SER 61 HG SER 61 3.559 -0.496 -10.823 490 H LYS 62 H LYS 62 5.924 3.608 -9.183 491 HA LYS 62 HA LYS 62 8.241 3.103 -7.774 492 HB2 LYS 62 2HB LYS 62 7.656 5.243 -8.908 493 HB3 LYS 62 3HB LYS 62 6.467 5.585 -7.657 494 HG2 LYS 62 2HG LYS 62 8.463 6.901 -7.262 495 HG3 LYS 62 3HG LYS 62 8.300 5.700 -5.977 496 HD2 LYS 62 2HD LYS 62 9.988 4.274 -7.085 497 HD3 LYS 62 3HD LYS 62 10.135 5.450 -8.397 498 HE2 LYS 62 2HE LYS 62 11.013 7.122 -6.828 499 HE3 LYS 62 3HE LYS 62 10.796 5.998 -5.481 500 HZ1 LYS 62 3HZ LYS 62 13.081 6.003 -6.222 501 HZ2 LYS 62 1HZ LYS 62 12.616 5.597 -7.799 502 HZ3 LYS 62 2HZ LYS 62 12.384 4.499 -6.535 503 H LEU 63 H LEU 63 5.042 3.907 -6.473 504 HA LEU 63 HA LEU 63 5.627 3.942 -3.714 505 HB2 LEU 63 2HB LEU 63 3.551 4.842 -4.699 506 HB3 LEU 63 3HB LEU 63 3.048 3.224 -5.144 507 HG LEU 63 HG LEU 63 2.807 2.620 -2.751 508 HD11 LEU 63 1HD1 LEU 63 4.518 4.061 -1.757 509 HD12 LEU 63 2HD1 LEU 63 2.960 4.294 -0.970 510 HD13 LEU 63 3HD1 LEU 63 3.553 5.493 -2.122 511 HD21 LEU 63 3HD2 LEU 63 0.859 3.473 -3.947 512 HD22 LEU 63 1HD2 LEU 63 1.291 5.133 -3.529 513 HD23 LEU 63 2HD2 LEU 63 0.819 3.994 -2.266 514 H ALA 64 H ALA 64 4.749 1.221 -5.870 515 HA ALA 64 HA ALA 64 4.326 -0.741 -3.876 516 HB1 ALA 64 3HB ALA 64 5.219 -1.131 -6.750 517 HB2 ALA 64 1HB ALA 64 3.552 -1.015 -6.192 518 HB3 ALA 64 2HB ALA 64 4.554 -2.379 -5.689 519 H GLN 65 H GLN 65 7.198 0.164 -5.766 520 HA GLN 65 HA GLN 65 9.030 -1.746 -4.877 521 HB2 GLN 65 2HB GLN 65 9.497 1.168 -5.642 522 HB3 GLN 65 3HB GLN 65 10.775 -0.035 -5.481 523 HG2 GLN 65 2HG GLN 65 9.980 -1.286 -7.346 524 HG3 GLN 65 3HG GLN 65 8.467 -0.383 -7.406 525 HE21 GLN 65 1HE2 GLN 65 10.442 -0.809 -9.514 526 HE22 GLN 65 2HE2 GLN 65 10.906 0.765 -10.039 527 H GLN 66 H GLN 66 8.313 1.484 -3.522 528 HA GLN 66 HA GLN 66 10.031 1.414 -1.317 529 HB2 GLN 66 2HB GLN 66 7.469 2.949 -1.871 530 HB3 GLN 66 3HB GLN 66 8.374 3.179 -0.381 531 HG2 GLN 66 2HG GLN 66 9.442 3.667 -3.179 532 HG3 GLN 66 3HG GLN 66 8.922 4.904 -2.039 533 HE21 GLN 66 1HE2 GLN 66 11.415 2.588 -2.808 534 HE22 GLN 66 2HE2 GLN 66 12.586 3.168 -1.679 535 H ILE 67 H ILE 67 6.590 0.395 -1.527 536 HA ILE 67 HA ILE 67 6.221 -0.085 1.232 537 HB ILE 67 HB ILE 67 4.697 -1.121 -1.200 538 HG12 ILE 67 2HG1 ILE 67 4.006 1.065 0.828 539 HG13 ILE 67 3HG1 ILE 67 4.615 1.350 -0.797 540 HG21 ILE 67 1HG2 ILE 67 3.895 -1.393 1.724 541 HG22 ILE 67 2HG2 ILE 67 4.327 -2.716 0.637 542 HG23 ILE 67 3HG2 ILE 67 2.864 -1.776 0.345 543 HD11 ILE 67 3HD1 ILE 67 1.969 0.095 -0.087 544 HD12 ILE 67 1HD1 ILE 67 2.584 0.344 -1.725 545 HD13 ILE 67 2HD1 ILE 67 2.241 1.730 -0.690 546 H PHE 68 H PHE 68 6.954 -2.358 -1.455 547 HA PHE 68 HA PHE 68 7.150 -4.653 0.228 548 HB2 PHE 68 2HB PHE 68 8.083 -4.174 -2.634 549 HB3 PHE 68 3HB PHE 68 8.249 -5.728 -1.820 550 HD1 PHE 68 HD1 PHE 68 6.007 -6.698 -0.749 551 HD2 PHE 68 HD2 PHE 68 6.099 -3.818 -3.912 552 HE1 PHE 68 HE1 PHE 68 3.725 -7.340 -1.417 553 HE2 PHE 68 HE2 PHE 68 3.815 -4.468 -4.566 554 HZ PHE 68 HZ PHE 68 2.627 -6.231 -3.318 555 H LEU 69 H LEU 69 9.494 -2.169 -0.678 556 HA LEU 69 HA LEU 69 11.860 -3.603 0.044 557 HB2 LEU 69 2HB LEU 69 11.941 -1.636 -1.432 558 HB3 LEU 69 3HB LEU 69 11.310 -0.616 -0.154 559 HG LEU 69 HG LEU 69 13.448 -1.019 1.151 560 HD11 LEU 69 1HD1 LEU 69 14.405 -2.361 -1.396 561 HD12 LEU 69 2HD1 LEU 69 14.153 -3.136 0.170 562 HD13 LEU 69 3HD1 LEU 69 15.413 -1.922 -0.014 563 HD21 LEU 69 3HD2 LEU 69 13.823 0.235 -1.593 564 HD22 LEU 69 1HD2 LEU 69 14.824 0.524 -0.167 565 HD23 LEU 69 2HD2 LEU 69 13.138 1.034 -0.174 566 H GLN 70 H GLN 70 10.075 -0.987 1.725 567 HA GLN 70 HA GLN 70 11.762 -1.236 4.074 568 HB2 GLN 70 2HB GLN 70 9.419 0.632 3.481 569 HB3 GLN 70 3HB GLN 70 10.426 0.720 4.927 570 HG2 GLN 70 2HG GLN 70 12.428 1.083 3.398 571 HG3 GLN 70 3HG GLN 70 11.288 1.197 2.055 572 HE21 GLN 70 1HE2 GLN 70 11.857 3.338 1.581 573 HE22 GLN 70 2HE2 GLN 70 11.438 4.661 2.606 574 H CYS 71 H CYS 71 8.663 -2.437 3.062 575 HA CYS 71 HA CYS 71 8.189 -3.561 5.756 576 HB2 CYS 71 2HB CYS 71 6.098 -2.710 3.709 577 HB3 CYS 71 3HB CYS 71 5.788 -3.395 5.303 578 HG CYS 71 HG CYS 71 7.508 -0.983 6.215 579 HA PRO 72 HA PRO 72 8.958 -7.098 2.851 580 HB2 PRO 72 2HB PRO 72 10.022 -8.807 4.705 581 HB3 PRO 72 3HB PRO 72 10.958 -7.476 3.998 582 HG2 PRO 72 2HG PRO 72 9.549 -7.573 6.650 583 HG3 PRO 72 3HG PRO 72 11.188 -6.992 6.269 584 HD2 PRO 72 2HD PRO 72 9.082 -5.289 6.564 585 HD3 PRO 72 3HD PRO 72 10.426 -4.957 5.447 586 H GLY 73 H GLY 73 6.872 -6.753 5.553 587 HA2 GLY 73 2HA GLY 73 5.557 -9.368 5.176 588 HA3 GLY 73 3HA GLY 73 5.312 -8.256 6.512 589 H VAL 74 H VAL 74 5.266 -7.515 3.055 590 HA VAL 74 HA VAL 74 2.298 -7.177 3.129 591 HB VAL 74 HB VAL 74 4.342 -5.631 1.443 592 HG11 VAL 74 1HG1 VAL 74 1.309 -5.379 1.465 593 HG12 VAL 74 2HG1 VAL 74 2.298 -6.007 0.142 594 HG13 VAL 74 3HG1 VAL 74 2.424 -4.312 0.607 595 HG21 VAL 74 3HG2 VAL 74 3.622 -3.642 2.715 596 HG22 VAL 74 1HG2 VAL 74 4.285 -4.874 3.794 597 HG23 VAL 74 2HG2 VAL 74 2.538 -4.638 3.689 598 H GLU 75 H GLU 75 1.195 -8.527 1.789 599 HA GLU 75 HA GLU 75 2.675 -10.344 0.037 600 HB2 GLU 75 2HB GLU 75 -0.286 -10.307 0.774 601 HB3 GLU 75 3HB GLU 75 0.528 -11.574 -0.138 602 HG2 GLU 75 2HG GLU 75 1.024 -10.830 2.752 603 HG3 GLU 75 3HG GLU 75 0.197 -12.271 2.165 604 H SER 76 H SER 76 0.170 -7.839 -0.213 605 HA SER 76 HA SER 76 0.571 -7.612 -3.084 606 HB2 SER 76 2HB SER 76 -1.074 -9.476 -2.913 607 HB3 SER 76 3HB SER 76 -2.160 -8.443 -1.982 608 HG SER 76 HG SER 76 -2.571 -8.605 -4.310 609 H LEU 77 H LEU 77 -0.743 -5.887 -4.014 610 HA LEU 77 HA LEU 77 -1.660 -3.800 -2.120 611 HB2 LEU 77 2HB LEU 77 -0.115 -3.333 -4.722 612 HB3 LEU 77 3HB LEU 77 -0.745 -2.085 -3.658 613 HG LEU 77 HG LEU 77 1.526 -4.008 -3.036 614 HD11 LEU 77 1HD1 LEU 77 2.927 -2.014 -3.025 615 HD12 LEU 77 2HD1 LEU 77 1.539 -1.005 -3.443 616 HD13 LEU 77 3HD1 LEU 77 2.131 -2.216 -4.585 617 HD21 LEU 77 3HD2 LEU 77 0.375 -1.841 -1.259 618 HD22 LEU 77 1HD2 LEU 77 1.835 -2.780 -0.939 619 HD23 LEU 77 2HD2 LEU 77 0.269 -3.582 -0.987 620 H MET 78 H MET 78 -3.668 -3.162 -2.589 621 HA MET 78 HA MET 78 -4.878 -3.763 -5.216 622 HB2 MET 78 2HB MET 78 -5.968 -4.825 -3.266 623 HB3 MET 78 3HB MET 78 -6.149 -3.263 -2.488 624 HG2 MET 78 2HG MET 78 -7.726 -2.557 -4.202 625 HG3 MET 78 3HG MET 78 -7.475 -4.060 -5.087 626 HE1 MET 78 3HE MET 78 -7.354 -6.248 -2.735 627 HE2 MET 78 1HE MET 78 -8.269 -6.436 -4.239 628 HE3 MET 78 2HE MET 78 -9.054 -6.715 -2.690 629 H ILE 79 H ILE 79 -4.525 -2.014 -6.439 630 HA ILE 79 HA ILE 79 -4.302 0.673 -5.351 631 HB ILE 79 HB ILE 79 -4.075 -0.306 -8.245 632 HG12 ILE 79 2HG1 ILE 79 -2.295 -1.320 -6.869 633 HG13 ILE 79 3HG1 ILE 79 -1.617 -0.147 -7.987 634 HG21 ILE 79 1HG2 ILE 79 -4.622 2.081 -8.146 635 HG22 ILE 79 2HG2 ILE 79 -2.968 1.855 -8.709 636 HG23 ILE 79 3HG2 ILE 79 -3.266 2.376 -7.050 637 HD11 ILE 79 3HD1 ILE 79 -0.522 -0.008 -5.853 638 HD12 ILE 79 1HD1 ILE 79 -2.061 0.239 -5.029 639 HD13 ILE 79 2HD1 ILE 79 -1.438 1.473 -6.129 640 H GLY 80 H GLY 80 -6.310 1.414 -4.810 641 HA2 GLY 80 2HA GLY 80 -8.618 1.077 -6.578 642 HA3 GLY 80 3HA GLY 80 -8.573 1.942 -5.038 643 H ASP 81 H ASP 81 -9.839 3.203 -7.011 644 HA ASP 81 HA ASP 81 -8.159 4.807 -8.672 645 HB2 ASP 81 2HB ASP 81 -10.191 5.997 -9.313 646 HB3 ASP 81 3HB ASP 81 -10.454 4.260 -9.347 647 H ASP 82 H ASP 82 -10.095 5.576 -5.741 648 HA ASP 82 HA ASP 82 -8.457 7.993 -5.287 649 HB2 ASP 82 2HB ASP 82 -10.171 8.646 -3.637 650 HB3 ASP 82 3HB ASP 82 -10.941 8.263 -5.173 651 H PHE 83 H PHE 83 -9.281 4.863 -3.909 652 HA PHE 83 HA PHE 83 -7.847 5.437 -1.404 653 HB2 PHE 83 2HB PHE 83 -8.970 3.447 -0.523 654 HB3 PHE 83 3HB PHE 83 -10.144 4.534 -1.250 655 HD1 PHE 83 HD2 PHE 83 -11.202 3.921 -3.477 656 HD2 PHE 83 HD1 PHE 83 -8.675 1.182 -1.375 657 HE1 PHE 83 HE2 PHE 83 -12.070 2.065 -4.842 658 HE2 PHE 83 HE1 PHE 83 -9.548 -0.664 -2.747 659 HZ PHE 83 HZ PHE 83 -11.242 -0.228 -4.480 660 H LEU 84 H LEU 84 -6.466 3.775 -0.485 661 HA LEU 84 HA LEU 84 -5.136 1.966 -2.419 662 HB2 LEU 84 2HB LEU 84 -3.679 3.908 -2.035 663 HB3 LEU 84 3HB LEU 84 -3.834 3.732 -0.293 664 HG LEU 84 HG LEU 84 -2.624 1.532 -0.447 665 HD11 LEU 84 1HD1 LEU 84 -3.148 0.901 -2.743 666 HD12 LEU 84 2HD1 LEU 84 -1.405 0.934 -2.492 667 HD13 LEU 84 3HD1 LEU 84 -2.195 2.253 -3.359 668 HD21 LEU 84 3HD2 LEU 84 -0.398 2.494 -0.796 669 HD22 LEU 84 1HD2 LEU 84 -1.430 3.580 0.136 670 HD23 LEU 84 2HD2 LEU 84 -1.116 3.908 -1.570 671 H THR 85 H THR 85 -5.567 -0.046 -1.735 672 HA THR 85 HA THR 85 -5.915 -0.582 1.160 673 HB THR 85 HB THR 85 -6.883 -2.215 -1.235 674 HG1 THR 85 HG1 THR 85 -7.842 -0.018 -0.532 675 HG21 THR 85 3HG2 THR 85 -6.523 -3.628 0.788 676 HG22 THR 85 1HG2 THR 85 -8.242 -3.455 0.419 677 HG23 THR 85 2HG2 THR 85 -7.522 -2.518 1.729 678 H ILE 86 H ILE 86 -4.046 -1.295 2.019 679 HA ILE 86 HA ILE 86 -2.087 -2.785 0.417 680 HB ILE 86 HB ILE 86 -1.922 -2.037 3.382 681 HG12 ILE 86 2HG1 ILE 86 -2.213 0.019 2.015 682 HG13 ILE 86 3HG1 ILE 86 -0.616 -0.056 2.743 683 HG21 ILE 86 1HG2 ILE 86 0.524 -2.298 3.064 684 HG22 ILE 86 2HG2 ILE 86 0.254 -2.806 1.397 685 HG23 ILE 86 3HG2 ILE 86 -0.345 -3.797 2.729 686 HD11 ILE 86 3HD1 ILE 86 -1.309 -0.617 -0.135 687 HD12 ILE 86 1HD1 ILE 86 0.303 -0.789 0.568 688 HD13 ILE 86 2HD1 ILE 86 -0.472 0.792 0.510 689 H ASN 87 H ASN 87 -1.794 -4.970 0.619 690 HA ASN 87 HA ASN 87 -3.570 -6.477 2.464 691 HB2 ASN 87 2HB ASN 87 -2.474 -7.401 -0.236 692 HB3 ASN 87 3HB ASN 87 -3.629 -8.258 0.779 693 HD21 ASN 87 1HD2 ASN 87 -3.186 -5.568 -1.419 694 HD22 ASN 87 2HD2 ASN 87 -4.862 -5.257 -1.679 695 H LYS 88 H LYS 88 -2.598 -7.895 3.843 696 HA LYS 88 HA LYS 88 0.101 -8.917 3.263 697 HB2 LYS 88 2HB LYS 88 1.030 -8.426 5.371 698 HB3 LYS 88 3HB LYS 88 0.311 -6.921 4.823 699 HG2 LYS 88 2HG LYS 88 -1.411 -7.010 6.451 700 HG3 LYS 88 3HG LYS 88 -1.196 -8.740 6.717 701 HD2 LYS 88 2HD LYS 88 -0.261 -7.748 8.645 702 HD3 LYS 88 3HD LYS 88 1.132 -8.161 7.652 703 HE2 LYS 88 2HE LYS 88 -0.069 -5.426 8.132 704 HE3 LYS 88 3HE LYS 88 1.521 -6.000 8.600 705 HZ1 LYS 88 3HZ LYS 88 0.591 -5.451 5.838 706 HZ2 LYS 88 1HZ LYS 88 2.098 -6.114 6.231 707 HZ3 LYS 88 2HZ LYS 88 1.706 -4.546 6.726 708 H ASP 89 H ASP 89 0.707 -10.597 4.953 709 HA ASP 89 HA ASP 89 -1.431 -12.561 5.245 710 HB2 ASP 89 2HB ASP 89 0.871 -13.154 4.401 711 HB3 ASP 89 3HB ASP 89 1.530 -12.756 5.982 712 H ARG 90 H ARG 90 -2.013 -13.485 7.306 713 HA ARG 90 HA ARG 90 -2.296 -11.464 9.350 714 HB2 ARG 90 2HB ARG 90 -3.799 -13.081 10.450 715 HB3 ARG 90 3HB ARG 90 -4.194 -12.886 8.745 716 HG2 ARG 90 2HG ARG 90 -3.177 -14.990 8.175 717 HG3 ARG 90 3HG ARG 90 -2.501 -15.174 9.791 718 HD2 ARG 90 2HD ARG 90 -4.754 -15.484 10.721 719 HD3 ARG 90 3HD ARG 90 -5.466 -15.215 9.121 720 HE ARG 90 HE ARG 90 -4.145 -17.228 8.394 721 HH11 ARG 90 1HH1 ARG 90 -5.127 -16.969 11.779 722 HH12 ARG 90 2HH1 ARG 90 -5.104 -18.686 12.034 723 HH21 ARG 90 1HH2 ARG 90 -4.130 -19.470 8.753 724 HH22 ARG 90 2HH2 ARG 90 -4.541 -20.098 10.318 725 H MET 91 H MET 91 0.173 -13.682 8.828 726 HA MET 91 HA MET 91 0.800 -14.235 11.615 727 HB2 MET 91 2HB MET 91 2.458 -14.613 9.075 728 HB3 MET 91 3HB MET 91 3.037 -15.026 10.685 729 HG2 MET 91 2HG MET 91 1.327 -16.729 10.932 730 HG3 MET 91 3HG MET 91 0.577 -16.246 9.407 731 HE1 MET 91 3HE MET 91 2.031 -19.728 8.431 732 HE2 MET 91 1HE MET 91 0.603 -18.699 8.465 733 HE3 MET 91 2HE MET 91 1.300 -19.290 9.976 734 H VAL 92 H VAL 92 1.355 -11.728 9.324 735 HA VAL 92 HA VAL 92 3.380 -10.377 10.991 736 HB VAL 92 HB VAL 92 2.318 -9.663 8.200 737 HG11 VAL 92 1HG1 VAL 92 4.677 -8.516 9.744 738 HG12 VAL 92 2HG1 VAL 92 3.157 -7.686 9.399 739 HG13 VAL 92 3HG1 VAL 92 4.242 -8.121 8.079 740 HG21 VAL 92 3HG2 VAL 92 4.489 -10.508 7.349 741 HG22 VAL 92 1HG2 VAL 92 3.564 -11.784 8.146 742 HG23 VAL 92 2HG2 VAL 92 4.929 -11.032 8.977 743 H HIS 93 H HIS 93 2.911 -8.354 11.934 744 HA HIS 93 HA HIS 93 0.094 -7.860 12.540 745 HB2 HIS 93 2HB HIS 93 2.661 -6.664 13.698 746 HB3 HIS 93 3HB HIS 93 1.035 -6.339 14.301 747 HD1 HIS 93 HD1 HIS 93 3.805 -8.271 15.228 748 HD2 HIS 93 HD2 HIS 93 -0.253 -9.111 14.888 749 HE1 HIS 93 HE1 HIS 93 3.406 -10.280 16.686 750 HE2 HIS 93 HE2 HIS 93 0.980 -10.839 16.351 751 H TRP 94 H TRP 94 -1.037 -5.999 12.033 752 HA TRP 94 HA TRP 94 -0.055 -4.176 10.056 753 HB2 TRP 94 2HB TRP 94 -2.629 -4.328 11.649 754 HB3 TRP 94 3HB TRP 94 -2.258 -2.846 10.765 755 HD1 TRP 94 HD1 TRP 94 -4.015 -6.016 10.259 756 HE1 TRP 94 HE1 TRP 94 -4.362 -6.498 7.758 757 HE3 TRP 94 HE3 TRP 94 -0.796 -2.565 8.292 758 HZ2 TRP 94 HZ2 TRP 94 -3.409 -5.563 5.282 759 HZ3 TRP 94 HZ3 TRP 94 -0.564 -2.430 5.849 760 HH2 TRP 94 HH2 TRP 94 -1.845 -3.896 4.383 761 H ASN 95 H ASN 95 -0.583 -3.911 13.565 762 HA ASN 95 HA ASN 95 -0.174 -1.219 14.040 763 HB2 ASN 95 2HB ASN 95 -0.904 -2.858 15.749 764 HB3 ASN 95 3HB ASN 95 0.692 -3.590 15.765 765 HD21 ASN 95 1HD2 ASN 95 -1.235 -0.881 16.848 766 HD22 ASN 95 2HD2 ASN 95 -0.078 -0.252 17.966 767 H SER 96 H SER 96 2.238 -3.665 13.387 768 HA SER 96 HA SER 96 4.554 -2.125 14.094 769 HB2 SER 96 2HB SER 96 4.328 -4.601 12.332 770 HB3 SER 96 3HB SER 96 5.799 -3.999 13.103 771 HG SER 96 HG SER 96 4.523 -4.265 15.140 772 H ILE 97 H ILE 97 3.034 -3.033 10.993 773 HA ILE 97 HA ILE 97 5.012 -1.635 9.384 774 HB ILE 97 HB ILE 97 2.541 -3.268 8.609 775 HG12 ILE 97 2HG1 ILE 97 5.510 -3.929 8.737 776 HG13 ILE 97 3HG1 ILE 97 4.181 -4.763 9.524 777 HG21 ILE 97 1HG2 ILE 97 4.680 -2.229 6.729 778 HG22 ILE 97 2HG2 ILE 97 3.036 -1.606 6.844 779 HG23 ILE 97 3HG2 ILE 97 3.313 -3.256 6.293 780 HD11 ILE 97 3HD1 ILE 97 4.897 -4.836 6.594 781 HD12 ILE 97 1HD1 ILE 97 3.425 -5.550 7.266 782 HD13 ILE 97 2HD1 ILE 97 5.006 -6.141 7.770 783 H LYS 98 H LYS 98 1.964 -0.806 10.730 784 HA LYS 98 HA LYS 98 0.706 0.587 8.648 785 HB2 LYS 98 2HB LYS 98 -0.498 -0.331 10.545 786 HB3 LYS 98 3HB LYS 98 0.321 0.763 11.653 787 HG2 LYS 98 2HG LYS 98 -0.820 2.685 10.607 788 HG3 LYS 98 3HG LYS 98 -1.624 1.588 9.473 789 HD2 LYS 98 2HD LYS 98 -2.806 0.471 11.301 790 HD3 LYS 98 3HD LYS 98 -1.917 1.414 12.503 791 HE2 LYS 98 2HE LYS 98 -2.994 3.472 11.702 792 HE3 LYS 98 3HE LYS 98 -3.846 2.548 10.462 793 HZ1 LYS 98 3HZ LYS 98 -5.093 1.415 12.102 794 HZ2 LYS 98 1HZ LYS 98 -5.164 3.054 12.494 795 HZ3 LYS 98 2HZ LYS 98 -4.156 2.019 13.367 796 HA PRO 99 HA PRO 99 2.330 4.822 10.580 797 HB2 PRO 99 2HB PRO 99 4.765 4.689 11.918 798 HB3 PRO 99 3HB PRO 99 3.190 4.656 12.730 799 HG2 PRO 99 2HG PRO 99 4.971 2.344 12.005 800 HG3 PRO 99 3HG PRO 99 4.095 2.656 13.523 801 HD2 PRO 99 2HD PRO 99 3.144 0.928 11.708 802 HD3 PRO 99 3HD PRO 99 2.044 1.973 12.636 803 H GLU 100 H GLU 100 4.495 2.274 9.527 804 HA GLU 100 HA GLU 100 6.375 3.857 8.108 805 HB2 GLU 100 2HB GLU 100 5.690 0.900 7.848 806 HB3 GLU 100 3HB GLU 100 7.098 1.679 7.129 807 HG2 GLU 100 2HG GLU 100 8.025 2.174 9.319 808 HG3 GLU 100 3HG GLU 100 6.560 1.601 10.113 809 H ILE 101 H ILE 101 3.398 2.119 7.138 810 HA ILE 101 HA ILE 101 3.622 2.660 4.338 811 HB ILE 101 HB ILE 101 1.108 2.027 5.962 812 HG12 ILE 101 2HG1 ILE 101 2.878 0.172 4.302 813 HG13 ILE 101 3HG1 ILE 101 2.835 0.228 6.062 814 HG21 ILE 101 1HG2 ILE 101 1.508 1.915 2.942 815 HG22 ILE 101 2HG2 ILE 101 0.530 3.102 3.808 816 HG23 ILE 101 3HG2 ILE 101 0.057 1.403 3.808 817 HD11 ILE 101 3HD1 ILE 101 0.515 -0.507 6.036 818 HD12 ILE 101 1HD1 ILE 101 1.572 -1.645 5.205 819 HD13 ILE 101 2HD1 ILE 101 0.544 -0.561 4.270 820 H ILE 102 H ILE 102 1.786 4.224 6.997 821 HA ILE 102 HA ILE 102 0.583 6.330 5.649 822 HB ILE 102 HB ILE 102 1.726 6.246 8.481 823 HG12 ILE 102 2HG1 ILE 102 -1.145 5.879 7.484 824 HG13 ILE 102 3HG1 ILE 102 -0.068 4.574 7.963 825 HG21 ILE 102 1HG2 ILE 102 -0.183 8.323 7.341 826 HG22 ILE 102 2HG2 ILE 102 1.493 8.606 7.810 827 HG23 ILE 102 3HG2 ILE 102 0.295 8.189 9.034 828 HD11 ILE 102 3HD1 ILE 102 -0.024 5.471 10.249 829 HD12 ILE 102 1HD1 ILE 102 -1.644 5.035 9.711 830 HD13 ILE 102 2HD1 ILE 102 -1.162 6.730 9.759 831 H ASP 103 H ASP 103 3.903 6.055 6.889 832 HA ASP 103 HA ASP 103 4.701 8.732 6.248 833 HB2 ASP 103 2HB ASP 103 5.740 7.261 8.066 834 HB3 ASP 103 3HB ASP 103 6.556 6.370 6.787 835 H LEU 104 H LEU 104 5.086 5.571 4.612 836 HA LEU 104 HA LEU 104 6.637 6.420 2.413 837 HB2 LEU 104 2HB LEU 104 4.718 4.099 2.794 838 HB3 LEU 104 3HB LEU 104 5.525 4.352 1.253 839 HG LEU 104 HG LEU 104 6.946 3.860 3.906 840 HD11 LEU 104 1HD1 LEU 104 7.544 1.669 2.952 841 HD12 LEU 104 2HD1 LEU 104 6.545 2.008 1.532 842 HD13 LEU 104 3HD1 LEU 104 5.797 1.851 3.126 843 HD21 LEU 104 3HD2 LEU 104 8.296 5.276 2.467 844 HD22 LEU 104 1HD2 LEU 104 8.052 4.189 1.096 845 HD23 LEU 104 2HD2 LEU 104 8.982 3.655 2.497 846 H LEU 105 H LEU 105 3.182 6.459 2.978 847 HA LEU 105 HA LEU 105 2.428 7.400 0.389 848 HB2 LEU 105 2HB LEU 105 1.033 7.104 3.042 849 HB3 LEU 105 3HB LEU 105 0.318 8.202 1.873 850 HG LEU 105 HG LEU 105 0.032 6.402 0.248 851 HD11 LEU 105 1HD1 LEU 105 1.351 4.540 2.236 852 HD12 LEU 105 2HD1 LEU 105 2.014 5.058 0.684 853 HD13 LEU 105 3HD1 LEU 105 0.566 4.060 0.732 854 HD21 LEU 105 3HD2 LEU 105 -1.635 5.040 1.425 855 HD22 LEU 105 1HD2 LEU 105 -1.753 6.739 1.886 856 HD23 LEU 105 2HD2 LEU 105 -0.994 5.578 2.980 857 H THR 106 H THR 106 3.771 8.957 3.233 858 HA THR 106 HA THR 106 3.018 11.635 2.412 859 HB THR 106 HB THR 106 5.045 10.756 4.535 860 HG1 THR 106 HG1 THR 106 2.597 10.182 4.662 861 HG21 THR 106 3HG2 THR 106 3.534 13.386 4.248 862 HG22 THR 106 1HG2 THR 106 5.241 13.152 3.852 863 HG23 THR 106 2HG2 THR 106 4.691 12.974 5.516 864 H LYS 107 H LYS 107 5.816 9.420 2.157 865 HA LYS 107 HA LYS 107 7.688 11.176 0.998 866 HB2 LYS 107 2HB LYS 107 7.345 8.158 0.673 867 HB3 LYS 107 3HB LYS 107 8.756 9.046 0.117 868 HG2 LYS 107 2HG LYS 107 7.864 8.838 3.008 869 HG3 LYS 107 3HG LYS 107 9.126 7.857 2.260 870 HD2 LYS 107 2HD LYS 107 10.448 9.918 1.815 871 HD3 LYS 107 3HD LYS 107 9.188 10.885 2.589 872 HE2 LYS 107 2HE LYS 107 9.599 9.757 4.728 873 HE3 LYS 107 3HE LYS 107 10.797 8.704 3.968 874 HZ1 LYS 107 3HZ LYS 107 11.004 11.659 4.232 875 HZ2 LYS 107 1HZ LYS 107 12.145 10.663 3.483 876 HZ3 LYS 107 2HZ LYS 107 11.855 10.518 5.138 877 H GLN 108 H GLN 108 5.322 8.947 -0.487 878 HA GLN 108 HA GLN 108 6.120 9.357 -3.187 879 HB2 GLN 108 2HB GLN 108 4.753 7.393 -1.997 880 HB3 GLN 108 3HB GLN 108 3.352 8.338 -2.463 881 HG2 GLN 108 2HG GLN 108 5.452 7.289 -4.390 882 HG3 GLN 108 3HG GLN 108 3.935 6.480 -4.032 883 HE21 GLN 108 1HE2 GLN 108 1.984 7.402 -4.859 884 HE22 GLN 108 2HE2 GLN 108 2.009 8.537 -6.158 885 H LEU 109 H LEU 109 3.229 10.456 -1.366 886 HA LEU 109 HA LEU 109 2.071 11.907 -3.520 887 HB2 LEU 109 2HB LEU 109 1.489 12.107 -0.542 888 HB3 LEU 109 3HB LEU 109 0.460 12.739 -1.820 889 HG LEU 109 HG LEU 109 1.080 9.778 -1.417 890 HD11 LEU 109 1HD1 LEU 109 -1.216 9.566 -0.567 891 HD12 LEU 109 2HD1 LEU 109 -1.408 11.320 -0.632 892 HD13 LEU 109 3HD1 LEU 109 -0.221 10.599 0.457 893 HD21 LEU 109 3HD2 LEU 109 -0.748 9.372 -3.000 894 HD22 LEU 109 1HD2 LEU 109 0.553 10.303 -3.741 895 HD23 LEU 109 2HD2 LEU 109 -0.936 11.110 -3.247 896 H ALA 110 H ALA 110 4.624 12.758 -1.396 897 HA ALA 110 HA ALA 110 4.401 15.588 -1.338 898 HB1 ALA 110 3HB ALA 110 6.919 13.878 -1.295 899 HB2 ALA 110 1HB ALA 110 5.964 14.347 0.110 900 HB3 ALA 110 2HB ALA 110 6.812 15.580 -0.825 901 H TYR 111 H TYR 111 5.784 13.319 -3.649 902 HA TYR 111 HA TYR 111 6.602 15.465 -5.487 903 HB2 TYR 111 2HB TYR 111 7.008 12.440 -5.658 904 HB3 TYR 111 3HB TYR 111 7.675 13.626 -6.777 905 HD1 TYR 111 HD1 TYR 111 7.800 12.472 -3.230 906 HD2 TYR 111 HD2 TYR 111 9.752 14.777 -6.255 907 HE1 TYR 111 HE1 TYR 111 9.777 12.691 -1.782 908 HE2 TYR 111 HE2 TYR 111 11.726 14.998 -4.805 909 HH TYR 111 HH TYR 111 12.185 13.157 -1.988 910 H GLY 112 H GLY 112 4.309 12.735 -5.281 911 HA2 GLY 112 2HA GLY 112 2.405 14.014 -6.931 912 HA3 GLY 112 3HA GLY 112 3.280 12.818 -7.874 913 H GLU 113 H GLU 113 0.574 12.753 -7.450 914 HA GLU 113 HA GLU 113 -0.082 10.752 -5.441 915 HB2 GLU 113 2HB GLU 113 -2.405 11.032 -6.165 916 HB3 GLU 113 3HB GLU 113 -1.676 12.587 -5.816 917 HG2 GLU 113 2HG GLU 113 -2.042 11.473 -8.616 918 HG3 GLU 113 3HG GLU 113 -3.194 12.536 -7.823 919 H ASP 114 H ASP 114 0.857 10.824 -8.715 920 HA ASP 114 HA ASP 114 -0.397 8.484 -9.703 921 HB2 ASP 114 2HB ASP 114 2.201 9.814 -10.558 922 HB3 ASP 114 3HB ASP 114 1.399 8.531 -11.455 923 H VAL 115 H VAL 115 -0.199 6.642 -8.605 924 HA VAL 115 HA VAL 115 2.251 5.586 -7.521 925 HB VAL 115 HB VAL 115 0.192 4.824 -6.512 926 HG11 VAL 115 1HG1 VAL 115 -1.324 5.163 -8.429 927 HG12 VAL 115 2HG1 VAL 115 -1.570 3.586 -7.676 928 HG13 VAL 115 3HG1 VAL 115 -0.680 3.710 -9.196 929 HG21 VAL 115 3HG2 VAL 115 1.341 2.482 -8.087 930 HG22 VAL 115 1HG2 VAL 115 0.416 2.368 -6.586 931 HG23 VAL 115 2HG2 VAL 115 2.004 3.134 -6.590 932 H ILE 116 H ILE 116 0.574 5.401 -10.638 933 HA ILE 116 HA ILE 116 2.578 3.509 -11.732 934 HB ILE 116 HB ILE 116 -0.068 4.273 -13.048 935 HG12 ILE 116 2HG1 ILE 116 -0.616 3.205 -10.901 936 HG13 ILE 116 3HG1 ILE 116 -0.994 2.121 -12.222 937 HG21 ILE 116 1HG2 ILE 116 1.583 3.345 -14.599 938 HG22 ILE 116 2HG2 ILE 116 0.272 2.191 -14.363 939 HG23 ILE 116 3HG2 ILE 116 1.825 1.941 -13.556 940 HD11 ILE 116 3HD1 ILE 116 1.060 0.852 -11.749 941 HD12 ILE 116 1HD1 ILE 116 -0.048 0.909 -10.378 942 HD13 ILE 116 2HD1 ILE 116 1.386 1.931 -10.389 943 H SER 117 H SER 117 3.932 5.540 -11.585 944 HA SER 117 HA SER 117 5.347 6.963 -12.631 945 HB2 SER 117 2HB SER 117 4.076 5.764 -15.113 946 HB3 SER 117 3HB SER 117 5.463 6.852 -15.176 947 HG SER 117 HG SER 117 6.720 5.347 -14.317 948 H LYS 118 H LYS 118 5.643 9.012 -13.804 949 HA LYS 118 HA LYS 118 3.332 10.500 -14.686 950 HB2 LYS 118 2HB LYS 118 3.457 12.278 -12.937 951 HB3 LYS 118 3HB LYS 118 2.919 10.725 -12.325 952 HG2 LYS 118 2HG LYS 118 5.184 10.316 -11.398 953 HG3 LYS 118 3HG LYS 118 5.696 11.900 -11.973 954 HD2 LYS 118 2HD LYS 118 3.493 11.408 -9.924 955 HD3 LYS 118 3HD LYS 118 5.148 11.872 -9.534 956 HE2 LYS 118 2HE LYS 118 3.953 13.896 -9.400 957 HE3 LYS 118 3HE LYS 118 4.688 13.977 -10.998 958 HZ1 LYS 118 3HZ LYS 118 2.321 14.663 -10.925 959 HZ2 LYS 118 1HZ LYS 118 1.884 13.090 -10.485 960 HZ3 LYS 118 2HZ LYS 118 2.594 13.383 -11.993 961 H GLU 119 H GLU 119 6.411 9.885 -15.208 962 HA GLU 119 HA GLU 119 7.238 12.635 -15.866 963 HB2 GLU 119 2HB GLU 119 9.472 11.658 -16.427 964 HB3 GLU 119 3HB GLU 119 9.007 11.477 -14.752 965 HG2 GLU 119 2HG GLU 119 8.762 9.211 -16.754 966 HG3 GLU 119 3HG GLU 119 10.234 9.514 -15.845 Start of MODEL 10 1 H1 MET 1 1H MET 1 18.751 60.118 19.742 2 H2 MET 1 2H MET 1 17.570 60.611 18.638 3 H3 MET 1 3H MET 1 18.828 59.603 18.134 4 HA MET 1 HA MET 1 18.043 57.840 19.542 5 HB2 MET 1 2HB MET 1 15.750 59.754 20.175 6 HB3 MET 1 3HB MET 1 15.771 58.048 20.611 7 HG2 MET 1 2HG MET 1 16.325 59.406 22.537 8 HG3 MET 1 3HG MET 1 17.735 58.458 22.056 9 HE1 MET 1 3HE MET 1 19.255 61.841 23.453 10 HE2 MET 1 1HE MET 1 19.237 60.086 23.628 11 HE3 MET 1 2HE MET 1 17.802 61.029 24.033 12 H GLY 2 H GLY 2 17.079 56.283 18.357 13 HA2 GLY 2 2HA GLY 2 15.372 57.067 16.045 14 HA3 GLY 2 3HA GLY 2 16.519 55.735 16.029 15 H HIS 3 H HIS 3 16.093 53.880 17.360 16 HA HIS 3 HA HIS 3 14.837 52.102 17.931 17 HB2 HIS 3 2HB HIS 3 13.483 54.328 19.453 18 HB3 HIS 3 3HB HIS 3 12.767 52.724 19.500 19 HD1 HIS 3 HD1 HIS 3 15.378 54.747 21.086 20 HD2 HIS 3 HD2 HIS 3 14.558 50.695 20.616 21 HE1 HIS 3 HE1 HIS 3 16.764 53.563 22.818 22 HE2 HIS 3 HE2 HIS 3 16.242 51.121 22.518 23 H HIS 4 H HIS 4 14.115 53.527 15.381 24 HA HIS 4 HA HIS 4 11.478 52.225 14.981 25 HB2 HIS 4 2HB HIS 4 11.240 53.752 12.963 26 HB3 HIS 4 3HB HIS 4 11.131 54.530 14.528 27 HD1 HIS 4 HD1 HIS 4 12.703 56.444 14.985 28 HD2 HIS 4 HD2 HIS 4 13.687 54.382 11.512 29 HE1 HIS 4 HE1 HIS 4 14.405 57.863 13.808 30 HE2 HIS 4 HE2 HIS 4 15.134 56.483 11.845 31 H HIS 5 H HIS 5 12.632 50.268 14.878 32 HA HIS 5 HA HIS 5 13.721 49.682 12.181 33 HB2 HIS 5 2HB HIS 5 15.527 49.564 13.889 34 HB3 HIS 5 3HB HIS 5 14.570 48.444 14.850 35 HD1 HIS 5 HD1 HIS 5 16.851 48.606 11.900 36 HD2 HIS 5 HD2 HIS 5 14.472 45.790 13.816 37 HE1 HIS 5 HE1 HIS 5 17.587 46.374 11.015 38 HE2 HIS 5 HE2 HIS 5 16.282 44.698 12.351 39 H HIS 6 H HIS 6 11.739 49.085 11.376 40 HA HIS 6 HA HIS 6 10.078 47.165 12.907 41 HB2 HIS 6 2HB HIS 6 9.254 49.169 10.760 42 HB3 HIS 6 3HB HIS 6 8.166 48.033 11.551 43 HD1 HIS 6 HD1 HIS 6 7.371 48.607 13.940 44 HD2 HIS 6 HD2 HIS 6 10.082 51.357 12.391 45 HE1 HIS 6 HE1 HIS 6 7.318 50.570 15.505 46 HE2 HIS 6 HE2 HIS 6 9.077 52.137 14.641 47 H HIS 7 H HIS 7 10.441 45.166 12.244 48 HA HIS 7 HA HIS 7 10.015 44.503 9.391 49 HB2 HIS 7 2HB HIS 7 12.021 43.196 11.289 50 HB3 HIS 7 3HB HIS 7 11.523 42.475 9.764 51 HD1 HIS 7 HD1 HIS 7 12.615 43.334 7.643 52 HD2 HIS 7 HD2 HIS 7 13.670 45.538 11.003 53 HE1 HIS 7 HE1 HIS 7 14.500 44.822 6.912 54 HE2 HIS 7 HE2 HIS 7 14.964 46.286 8.899 55 H HIS 8 H HIS 8 8.155 43.445 9.242 56 HA HIS 8 HA HIS 8 7.366 41.451 11.283 57 HB2 HIS 8 2HB HIS 8 6.040 43.555 11.608 58 HB3 HIS 8 3HB HIS 8 5.514 43.483 9.931 59 HD1 HIS 8 HD1 HIS 8 3.241 42.522 9.667 60 HD2 HIS 8 HD2 HIS 8 5.116 41.057 13.077 61 HE1 HIS 8 HE1 HIS 8 1.559 41.019 10.774 62 HE2 HIS 8 HE2 HIS 8 2.663 40.266 12.902 63 H SER 9 H SER 9 8.768 40.508 9.412 64 HA SER 9 HA SER 9 6.988 39.415 7.305 65 HB2 SER 9 2HB SER 9 9.985 39.978 7.104 66 HB3 SER 9 3HB SER 9 8.980 39.267 5.837 67 HG SER 9 HG SER 9 8.411 41.786 6.981 68 H HIS 10 H HIS 10 6.393 37.614 8.485 69 HA HIS 10 HA HIS 10 8.468 35.528 8.845 70 HB2 HIS 10 2HB HIS 10 6.128 35.948 10.780 71 HB3 HIS 10 3HB HIS 10 7.382 34.721 10.909 72 HD1 HIS 10 HD1 HIS 10 9.654 35.457 11.897 73 HD2 HIS 10 HD2 HIS 10 6.866 38.526 11.627 74 HE1 HIS 10 HE1 HIS 10 10.586 37.344 13.264 75 HE2 HIS 10 HE2 HIS 10 8.762 39.075 13.275 76 H MET 11 H MET 11 7.752 34.840 6.738 77 HA MET 11 HA MET 11 5.056 33.967 6.258 78 HB2 MET 11 2HB MET 11 7.646 33.312 4.776 79 HB3 MET 11 3HB MET 11 6.036 32.869 4.215 80 HG2 MET 11 2HG MET 11 6.994 35.717 4.628 81 HG3 MET 11 3HG MET 11 6.945 34.880 3.077 82 HE1 MET 11 3HE MET 11 3.064 34.432 2.534 83 HE2 MET 11 1HE MET 11 4.166 33.259 3.254 84 HE3 MET 11 2HE MET 11 4.664 34.183 1.835 85 H ASN 12 H ASN 12 4.640 32.713 8.128 86 HA ASN 12 HA ASN 12 6.071 30.146 8.410 87 HB2 ASN 12 2HB ASN 12 4.957 29.964 10.629 88 HB3 ASN 12 3HB ASN 12 5.944 31.405 10.484 89 HD21 ASN 12 1HD2 ASN 12 4.904 33.454 10.365 90 HD22 ASN 12 2HD2 ASN 12 3.277 33.664 10.908 91 H SER 13 H SER 13 5.283 28.667 7.124 92 HA SER 13 HA SER 13 2.632 27.651 7.326 93 HB2 SER 13 2HB SER 13 1.976 28.027 4.915 94 HB3 SER 13 3HB SER 13 2.053 29.525 5.841 95 HG SER 13 HG SER 13 3.166 30.036 4.088 96 H GLN 14 H GLN 14 2.894 25.511 7.073 97 HA GLN 14 HA GLN 14 4.290 24.373 4.840 98 HB2 GLN 14 2HB GLN 14 6.229 24.642 6.303 99 HB3 GLN 14 3HB GLN 14 5.390 23.874 7.650 100 HG2 GLN 14 2HG GLN 14 5.429 21.725 6.549 101 HG3 GLN 14 3HG GLN 14 5.996 22.438 5.041 102 HE21 GLN 14 1HE2 GLN 14 8.159 23.057 4.862 103 HE22 GLN 14 2HE2 GLN 14 9.373 22.525 5.971 104 H ARG 15 H ARG 15 2.933 22.893 4.195 105 HA ARG 15 HA ARG 15 0.908 21.755 5.983 106 HB2 ARG 15 2HB ARG 15 1.227 21.728 2.945 107 HB3 ARG 15 3HB ARG 15 -0.075 20.906 3.791 108 HG2 ARG 15 2HG ARG 15 -0.863 22.996 2.836 109 HG3 ARG 15 3HG ARG 15 -0.948 23.060 4.592 110 HD2 ARG 15 2HD ARG 15 -0.165 25.179 3.482 111 HD3 ARG 15 3HD ARG 15 0.939 24.549 4.705 112 HE ARG 15 HE ARG 15 1.820 23.515 2.294 113 HH11 ARG 15 1HH1 ARG 15 1.362 26.781 3.555 114 HH12 ARG 15 2HH1 ARG 15 2.639 27.447 2.588 115 HH21 ARG 15 1HH2 ARG 15 3.524 24.414 1.084 116 HH22 ARG 15 2HH2 ARG 15 3.854 26.118 1.198 117 H LEU 16 H LEU 16 0.395 19.443 5.745 118 HA LEU 16 HA LEU 16 2.456 17.721 4.558 119 HB2 LEU 16 2HB LEU 16 2.460 16.151 6.365 120 HB3 LEU 16 3HB LEU 16 2.794 17.721 7.060 121 HG LEU 16 HG LEU 16 0.069 16.349 7.223 122 HD11 LEU 16 1HD1 LEU 16 0.627 15.791 9.552 123 HD12 LEU 16 2HD1 LEU 16 2.263 16.414 9.321 124 HD13 LEU 16 3HD1 LEU 16 1.719 14.997 8.418 125 HD21 LEU 16 3HD2 LEU 16 -0.049 18.800 7.478 126 HD22 LEU 16 1HD2 LEU 16 1.143 18.732 8.776 127 HD23 LEU 16 2HD2 LEU 16 -0.441 17.978 8.986 128 H ILE 17 H ILE 17 1.616 16.021 3.438 129 HA ILE 17 HA ILE 17 -1.187 16.016 2.791 130 HB ILE 17 HB ILE 17 1.111 14.188 1.935 131 HG12 ILE 17 2HG1 ILE 17 0.716 15.197 -0.335 132 HG13 ILE 17 3HG1 ILE 17 -0.545 16.213 0.340 133 HG21 ILE 17 1HG2 ILE 17 -0.424 13.102 0.321 134 HG22 ILE 17 2HG2 ILE 17 -1.782 13.996 0.997 135 HG23 ILE 17 3HG2 ILE 17 -0.930 12.802 1.979 136 HD11 ILE 17 3HD1 ILE 17 1.513 17.431 -0.061 137 HD12 ILE 17 1HD1 ILE 17 2.384 16.348 1.027 138 HD13 ILE 17 2HD1 ILE 17 1.119 17.409 1.659 139 H HIS 18 H HIS 18 -2.297 15.570 4.642 140 HA HIS 18 HA HIS 18 -1.735 13.450 6.445 141 HB2 HIS 18 2HB HIS 18 -3.057 15.353 7.205 142 HB3 HIS 18 3HB HIS 18 -4.282 15.056 5.978 143 HD1 HIS 18 HD1 HIS 18 -6.071 13.319 6.488 144 HD2 HIS 18 HD2 HIS 18 -3.122 13.521 9.417 145 HE1 HIS 18 HE1 HIS 18 -6.905 11.913 8.389 146 HE2 HIS 18 HE2 HIS 18 -5.138 12.098 10.169 147 H ILE 19 H ILE 19 -2.416 11.365 6.430 148 HA ILE 19 HA ILE 19 -3.948 10.377 4.102 149 HB ILE 19 HB ILE 19 -1.698 8.973 5.634 150 HG12 ILE 19 2HG1 ILE 19 -0.823 10.652 4.052 151 HG13 ILE 19 3HG1 ILE 19 -0.450 9.031 3.479 152 HG21 ILE 19 1HG2 ILE 19 -3.370 7.888 3.330 153 HG22 ILE 19 2HG2 ILE 19 -3.438 7.347 5.007 154 HG23 ILE 19 3HG2 ILE 19 -1.974 7.084 4.059 155 HD11 ILE 19 3HD1 ILE 19 -1.103 10.465 1.654 156 HD12 ILE 19 1HD1 ILE 19 -2.635 10.836 2.440 157 HD13 ILE 19 2HD1 ILE 19 -2.309 9.196 1.867 158 H LYS 20 H LYS 20 -5.798 9.426 4.696 159 HA LYS 20 HA LYS 20 -6.443 9.135 7.541 160 HB2 LYS 20 2HB LYS 20 -7.907 10.429 5.883 161 HB3 LYS 20 3HB LYS 20 -8.236 8.904 5.072 162 HG2 LYS 20 2HG LYS 20 -9.306 8.049 7.136 163 HG3 LYS 20 3HG LYS 20 -8.973 9.593 7.936 164 HD2 LYS 20 2HD LYS 20 -10.347 10.723 6.118 165 HD3 LYS 20 3HD LYS 20 -10.791 9.113 5.541 166 HE2 LYS 20 2HE LYS 20 -12.567 10.003 6.940 167 HE3 LYS 20 3HE LYS 20 -11.810 8.641 7.767 168 HZ1 LYS 20 3HZ LYS 20 -10.527 10.223 9.085 169 HZ2 LYS 20 1HZ LYS 20 -12.186 10.483 9.274 170 HZ3 LYS 20 2HZ LYS 20 -11.275 11.516 8.299 171 H THR 21 H THR 21 -7.486 7.073 8.196 172 HA THR 21 HA THR 21 -7.023 4.759 6.425 173 HB THR 21 HB THR 21 -6.208 4.817 9.377 174 HG1 THR 21 HG1 THR 21 -4.770 5.148 6.973 175 HG21 THR 21 3HG2 THR 21 -5.837 2.649 7.267 176 HG22 THR 21 1HG2 THR 21 -6.972 2.576 8.623 177 HG23 THR 21 2HG2 THR 21 -5.235 2.589 8.924 178 H LEU 22 H LEU 22 -8.668 3.371 6.448 179 HA LEU 22 HA LEU 22 -10.844 3.637 8.449 180 HB2 LEU 22 2HB LEU 22 -11.129 2.688 5.563 181 HB3 LEU 22 3HB LEU 22 -12.427 2.974 6.709 182 HG LEU 22 HG LEU 22 -10.676 5.128 5.448 183 HD11 LEU 22 1HD1 LEU 22 -12.669 5.743 4.160 184 HD12 LEU 22 2HD1 LEU 22 -13.563 4.389 4.861 185 HD13 LEU 22 3HD1 LEU 22 -12.173 4.087 3.815 186 HD21 LEU 22 3HD2 LEU 22 -11.426 5.808 7.674 187 HD22 LEU 22 1HD2 LEU 22 -13.101 5.430 7.255 188 HD23 LEU 22 2HD2 LEU 22 -12.251 6.740 6.429 189 H THR 23 H THR 23 -11.436 1.715 9.425 190 HA THR 23 HA THR 23 -9.821 -0.625 9.164 191 HB THR 23 HB THR 23 -11.486 -1.675 10.741 192 HG1 THR 23 HG1 THR 23 -13.139 0.096 9.794 193 HG21 THR 23 3HG2 THR 23 -10.601 1.110 11.594 194 HG22 THR 23 1HG2 THR 23 -9.600 -0.349 11.660 195 HG23 THR 23 2HG2 THR 23 -11.038 -0.218 12.669 196 H THR 24 H THR 24 -10.613 -2.776 8.567 197 HA THR 24 HA THR 24 -12.713 -2.833 6.504 198 HB THR 24 HB THR 24 -11.101 -4.456 5.266 199 HG1 THR 24 HG1 THR 24 -9.497 -4.758 6.757 200 HG21 THR 24 3HG2 THR 24 -10.326 -1.520 5.357 201 HG22 THR 24 1HG2 THR 24 -11.590 -2.223 4.346 202 HG23 THR 24 2HG2 THR 24 -9.902 -2.659 4.078 203 HA PRO 25 HA PRO 25 -13.947 -6.491 8.806 204 HB2 PRO 25 2HB PRO 25 -15.340 -7.914 6.920 205 HB3 PRO 25 3HB PRO 25 -15.941 -6.379 7.584 206 HG2 PRO 25 2HG PRO 25 -14.483 -6.858 4.996 207 HG3 PRO 25 3HG PRO 25 -15.949 -5.894 5.293 208 HD2 PRO 25 2HD PRO 25 -13.505 -4.735 5.089 209 HD3 PRO 25 3HD PRO 25 -14.756 -4.093 6.175 210 H ASN 26 H ASN 26 -11.727 -6.726 6.191 211 HA ASN 26 HA ASN 26 -11.011 -9.520 6.825 212 HB2 ASN 26 2HB ASN 26 -11.269 -8.845 4.408 213 HB3 ASN 26 3HB ASN 26 -9.920 -7.734 4.601 214 HD21 ASN 26 1HD2 ASN 26 -7.813 -8.595 4.739 215 HD22 ASN 26 2HD2 ASN 26 -7.454 -10.240 4.369 216 H GLU 27 H GLU 27 -9.280 -9.952 8.044 217 HA GLU 27 HA GLU 27 -7.983 -7.948 9.581 218 HB2 GLU 27 2HB GLU 27 -6.674 -9.923 10.513 219 HB3 GLU 27 3HB GLU 27 -8.429 -10.045 10.619 220 HG2 GLU 27 2HG GLU 27 -8.519 -11.593 8.774 221 HG3 GLU 27 3HG GLU 27 -6.813 -11.350 8.411 222 H ASN 28 H ASN 28 -6.887 -9.842 6.803 223 HA ASN 28 HA ASN 28 -4.129 -8.967 6.949 224 HB2 ASN 28 2HB ASN 28 -5.656 -10.409 4.737 225 HB3 ASN 28 3HB ASN 28 -3.926 -10.075 4.691 226 HD21 ASN 28 1HD2 ASN 28 -3.328 -12.239 4.624 227 HD22 ASN 28 2HD2 ASN 28 -3.535 -13.316 5.961 228 H ALA 29 H ALA 29 -7.009 -7.570 5.809 229 HA ALA 29 HA ALA 29 -5.675 -5.818 3.837 230 HB1 ALA 29 3HB ALA 29 -7.658 -7.001 2.999 231 HB2 ALA 29 1HB ALA 29 -7.957 -5.263 3.065 232 HB3 ALA 29 2HB ALA 29 -8.640 -6.324 4.300 233 H LEU 30 H LEU 30 -5.857 -3.570 4.024 234 HA LEU 30 HA LEU 30 -7.504 -2.286 6.018 235 HB2 LEU 30 2HB LEU 30 -5.491 -2.877 7.371 236 HB3 LEU 30 3HB LEU 30 -4.470 -2.042 6.215 237 HG LEU 30 HG LEU 30 -5.608 0.123 6.841 238 HD11 LEU 30 1HD1 LEU 30 -7.733 -0.769 7.651 239 HD12 LEU 30 2HD1 LEU 30 -6.965 0.244 8.869 240 HD13 LEU 30 3HD1 LEU 30 -6.917 -1.514 9.029 241 HD21 LEU 30 3HD2 LEU 30 -4.440 0.408 8.980 242 HD22 LEU 30 1HD2 LEU 30 -3.448 -0.495 7.836 243 HD23 LEU 30 2HD2 LEU 30 -4.274 -1.343 9.146 244 H LYS 31 H LYS 31 -8.324 -0.594 4.906 245 HA LYS 31 HA LYS 31 -6.904 0.360 2.538 246 HB2 LYS 31 2HB LYS 31 -8.982 1.396 1.852 247 HB3 LYS 31 3HB LYS 31 -9.287 -0.271 2.326 248 HG2 LYS 31 2HG LYS 31 -10.072 0.641 4.574 249 HG3 LYS 31 3HG LYS 31 -9.990 2.249 3.850 250 HD2 LYS 31 2HD LYS 31 -11.737 -0.064 2.922 251 HD3 LYS 31 3HD LYS 31 -12.281 1.387 3.765 252 HE2 LYS 31 2HE LYS 31 -11.667 2.772 1.839 253 HE3 LYS 31 3HE LYS 31 -11.009 1.364 1.001 254 HZ1 LYS 31 3HZ LYS 31 -13.848 1.900 1.668 255 HZ2 LYS 31 1HZ LYS 31 -13.295 0.390 1.140 256 HZ3 LYS 31 2HZ LYS 31 -13.153 1.739 0.138 257 H PHE 32 H PHE 32 -5.886 2.221 2.416 258 HA PHE 32 HA PHE 32 -6.044 4.243 4.562 259 HB2 PHE 32 2HB PHE 32 -3.947 3.784 2.369 260 HB3 PHE 32 3HB PHE 32 -3.889 5.085 3.558 261 HD1 PHE 32 HD2 PHE 32 -3.643 1.393 3.119 262 HD2 PHE 32 HD1 PHE 32 -3.125 4.679 5.816 263 HE1 PHE 32 HE2 PHE 32 -2.465 -0.079 4.699 264 HE2 PHE 32 HE1 PHE 32 -1.952 3.192 7.378 265 HZ PHE 32 HZ PHE 32 -1.622 0.818 6.825 266 H LEU 33 H LEU 33 -7.208 6.038 4.067 267 HA LEU 33 HA LEU 33 -8.218 6.326 1.313 268 HB2 LEU 33 2HB LEU 33 -9.781 6.064 3.323 269 HB3 LEU 33 3HB LEU 33 -9.229 7.632 3.884 270 HG LEU 33 HG LEU 33 -10.098 8.605 1.668 271 HD11 LEU 33 1HD1 LEU 33 -11.419 5.889 1.429 272 HD12 LEU 33 2HD1 LEU 33 -10.153 6.532 0.380 273 HD13 LEU 33 3HD1 LEU 33 -11.738 7.299 0.412 274 HD21 LEU 33 3HD2 LEU 33 -12.439 8.685 2.399 275 HD22 LEU 33 1HD2 LEU 33 -11.342 8.890 3.763 276 HD23 LEU 33 2HD2 LEU 33 -12.154 7.344 3.512 277 H SER 34 H SER 34 -7.397 7.914 0.105 278 HA SER 34 HA SER 34 -5.722 10.029 1.232 279 HB2 SER 34 2HB SER 34 -6.313 9.249 -1.666 280 HB3 SER 34 3HB SER 34 -5.103 10.428 -1.144 281 HG SER 34 HG SER 34 -5.068 7.774 -0.178 282 H THR 35 H THR 35 -6.851 11.708 1.981 283 HA THR 35 HA THR 35 -9.031 12.914 0.388 284 HB THR 35 HB THR 35 -10.089 11.410 2.061 285 HG1 THR 35 HG1 THR 35 -10.704 13.901 1.633 286 HG21 THR 35 3HG2 THR 35 -8.377 11.447 3.836 287 HG22 THR 35 1HG2 THR 35 -9.958 11.899 4.476 288 HG23 THR 35 2HG2 THR 35 -8.745 13.142 4.169 289 H ASP 36 H ASP 36 -6.111 13.414 1.619 290 HA ASP 36 HA ASP 36 -6.474 16.320 1.703 291 HB2 ASP 36 2HB ASP 36 -6.476 15.552 4.110 292 HB3 ASP 36 3HB ASP 36 -4.889 14.837 3.858 293 H GLY 37 H GLY 37 -4.685 17.393 0.859 294 HA2 GLY 37 2HA GLY 37 -2.723 17.692 -0.301 295 HA3 GLY 37 3HA GLY 37 -2.280 16.020 0.032 296 H GLU 38 H GLU 38 -3.067 14.376 -1.317 297 HA GLU 38 HA GLU 38 -4.439 15.122 -3.838 298 HB2 GLU 38 2HB GLU 38 -1.976 13.307 -3.686 299 HB3 GLU 38 3HB GLU 38 -2.911 13.644 -5.133 300 HG2 GLU 38 2HG GLU 38 -1.229 15.641 -3.602 301 HG3 GLU 38 3HG GLU 38 -0.762 14.837 -5.098 302 H MET 39 H MET 39 -5.029 13.007 -5.040 303 HA MET 39 HA MET 39 -5.467 10.686 -3.249 304 HB2 MET 39 2HB MET 39 -7.130 9.877 -4.925 305 HB3 MET 39 3HB MET 39 -7.585 11.426 -4.234 306 HG2 MET 39 2HG MET 39 -6.913 12.590 -6.246 307 HG3 MET 39 3HG MET 39 -6.250 11.107 -6.929 308 HE1 MET 39 3HE MET 39 -10.805 11.462 -6.168 309 HE2 MET 39 1HE MET 39 -9.677 12.667 -5.546 310 HE3 MET 39 2HE MET 39 -9.647 11.014 -4.918 311 H LEU 40 H LEU 40 -5.164 8.582 -4.374 312 HA LEU 40 HA LEU 40 -2.464 8.423 -5.311 313 HB2 LEU 40 2HB LEU 40 -4.650 6.326 -5.041 314 HB3 LEU 40 3HB LEU 40 -2.959 5.957 -5.363 315 HG LEU 40 HG LEU 40 -3.919 7.390 -2.855 316 HD11 LEU 40 1HD1 LEU 40 -3.278 4.457 -3.221 317 HD12 LEU 40 2HD1 LEU 40 -4.869 5.165 -2.913 318 HD13 LEU 40 3HD1 LEU 40 -3.610 5.268 -1.685 319 HD21 LEU 40 3HD2 LEU 40 -1.693 6.855 -1.959 320 HD22 LEU 40 1HD2 LEU 40 -1.569 7.858 -3.402 321 HD23 LEU 40 2HD2 LEU 40 -1.226 6.127 -3.499 322 H GLN 41 H GLN 41 -5.612 8.028 -6.784 323 HA GLN 41 HA GLN 41 -4.550 8.245 -9.500 324 HB2 GLN 41 2HB GLN 41 -4.562 5.797 -8.991 325 HB3 GLN 41 3HB GLN 41 -6.255 5.890 -8.536 326 HG2 GLN 41 2HG GLN 41 -6.801 6.538 -10.882 327 HG3 GLN 41 3HG GLN 41 -5.103 6.324 -11.303 328 HE21 GLN 41 1HE2 GLN 41 -6.970 4.216 -9.124 329 HE22 GLN 41 2HE2 GLN 41 -6.934 2.837 -10.157 330 H THR 42 H THR 42 -6.081 9.232 -10.863 331 HA THR 42 HA THR 42 -7.972 10.938 -9.686 332 HB THR 42 HB THR 42 -7.754 10.149 -12.632 333 HG1 THR 42 HG1 THR 42 -6.276 11.918 -10.991 334 HG21 THR 42 3HG2 THR 42 -8.646 12.420 -13.089 335 HG22 THR 42 1HG2 THR 42 -8.846 12.694 -11.359 336 HG23 THR 42 2HG2 THR 42 -9.808 11.457 -12.173 337 H ARG 43 H ARG 43 -9.882 10.339 -8.796 338 HA ARG 43 HA ARG 43 -10.815 7.726 -8.838 339 HB2 ARG 43 2HB ARG 43 -11.196 9.345 -6.976 340 HB3 ARG 43 3HB ARG 43 -12.437 10.136 -7.949 341 HG2 ARG 43 2HG ARG 43 -13.727 7.989 -7.975 342 HG3 ARG 43 3HG ARG 43 -12.498 7.264 -6.934 343 HD2 ARG 43 2HD ARG 43 -14.465 7.979 -5.645 344 HD3 ARG 43 3HD ARG 43 -13.028 8.880 -5.162 345 HE ARG 43 HE ARG 43 -13.884 10.718 -6.620 346 HH11 ARG 43 1HH1 ARG 43 -16.192 8.420 -5.251 347 HH12 ARG 43 2HH1 ARG 43 -17.516 9.539 -5.322 348 HH21 ARG 43 1HH2 ARG 43 -15.634 12.151 -6.720 349 HH22 ARG 43 2HH2 ARG 43 -17.196 11.655 -6.153 350 H GLY 44 H GLY 44 -11.627 6.693 -10.457 351 HA2 GLY 44 2HA GLY 44 -14.063 6.949 -11.655 352 HA3 GLY 44 3HA GLY 44 -13.003 7.907 -12.681 353 H SER 45 H SER 45 -10.912 5.694 -11.627 354 HA SER 45 HA SER 45 -11.460 3.748 -13.787 355 HB2 SER 45 2HB SER 45 -9.282 5.055 -13.793 356 HB3 SER 45 3HB SER 45 -8.844 4.254 -12.285 357 HG SER 45 HG SER 45 -8.942 3.263 -14.889 358 H LYS 46 H LYS 46 -9.950 1.634 -12.923 359 HA LYS 46 HA LYS 46 -11.548 0.489 -10.739 360 HB2 LYS 46 2HB LYS 46 -10.414 -1.709 -11.644 361 HB3 LYS 46 3HB LYS 46 -11.676 -0.945 -12.595 362 HG2 LYS 46 2HG LYS 46 -9.930 -1.661 -14.089 363 HG3 LYS 46 3HG LYS 46 -9.953 0.099 -14.043 364 HD2 LYS 46 2HD LYS 46 -8.003 -0.093 -12.348 365 HD3 LYS 46 3HD LYS 46 -7.903 -1.789 -12.828 366 HE2 LYS 46 2HE LYS 46 -7.579 0.626 -14.643 367 HE3 LYS 46 3HE LYS 46 -6.293 -0.445 -14.089 368 HZ1 LYS 46 3HZ LYS 46 -6.982 -0.935 -16.354 369 HZ2 LYS 46 1HZ LYS 46 -8.562 -1.247 -15.840 370 HZ3 LYS 46 2HZ LYS 46 -7.293 -2.246 -15.341 371 H SER 47 H SER 47 -10.252 -1.296 -9.500 372 HA SER 47 HA SER 47 -7.870 -0.128 -8.260 373 HB2 SER 47 2HB SER 47 -9.516 -2.581 -7.498 374 HB3 SER 47 3HB SER 47 -8.165 -1.932 -6.565 375 HG SER 47 HG SER 47 -9.570 0.123 -6.745 376 H ILE 48 H ILE 48 -5.859 -0.840 -8.660 377 HA ILE 48 HA ILE 48 -5.402 -3.043 -10.568 378 HB ILE 48 HB ILE 48 -3.450 -0.902 -9.559 379 HG12 ILE 48 2HG1 ILE 48 -3.622 -0.096 -12.050 380 HG13 ILE 48 3HG1 ILE 48 -5.109 -1.028 -12.117 381 HG21 ILE 48 1HG2 ILE 48 -2.261 -2.952 -10.208 382 HG22 ILE 48 2HG2 ILE 48 -1.938 -1.669 -11.375 383 HG23 ILE 48 3HG2 ILE 48 -3.076 -2.956 -11.776 384 HD11 ILE 48 3HD1 ILE 48 -5.523 1.341 -11.744 385 HD12 ILE 48 1HD1 ILE 48 -4.559 1.298 -10.266 386 HD13 ILE 48 2HD1 ILE 48 -6.069 0.387 -10.367 387 H VAL 49 H VAL 49 -4.756 -5.032 -9.728 388 HA VAL 49 HA VAL 49 -3.843 -5.160 -6.929 389 HB VAL 49 HB VAL 49 -4.561 -7.458 -8.813 390 HG11 VAL 49 1HG1 VAL 49 -4.104 -7.489 -5.803 391 HG12 VAL 49 2HG1 VAL 49 -3.023 -8.169 -7.020 392 HG13 VAL 49 3HG1 VAL 49 -4.626 -8.866 -6.783 393 HG21 VAL 49 3HG2 VAL 49 -6.697 -7.599 -7.574 394 HG22 VAL 49 1HG2 VAL 49 -6.522 -6.028 -8.361 395 HG23 VAL 49 2HG2 VAL 49 -6.250 -6.179 -6.624 396 H ILE 50 H ILE 50 -1.706 -4.881 -6.679 397 HA ILE 50 HA ILE 50 0.270 -6.001 -8.561 398 HB ILE 50 HB ILE 50 0.514 -3.925 -6.326 399 HG12 ILE 50 2HG1 ILE 50 0.753 -3.650 -9.358 400 HG13 ILE 50 3HG1 ILE 50 -0.578 -3.070 -8.364 401 HG21 ILE 50 1HG2 ILE 50 2.741 -4.973 -8.112 402 HG22 ILE 50 2HG2 ILE 50 2.584 -5.239 -6.376 403 HG23 ILE 50 3HG2 ILE 50 2.878 -3.613 -6.991 404 HD11 ILE 50 3HD1 ILE 50 0.843 -1.250 -9.009 405 HD12 ILE 50 1HD1 ILE 50 2.259 -2.044 -8.320 406 HD13 ILE 50 2HD1 ILE 50 0.952 -1.491 -7.268 407 H LYS 51 H LYS 51 0.793 -8.060 -7.979 408 HA LYS 51 HA LYS 51 0.776 -8.929 -5.171 409 HB2 LYS 51 2HB LYS 51 1.249 -10.524 -7.733 410 HB3 LYS 51 3HB LYS 51 1.007 -11.202 -6.122 411 HG2 LYS 51 2HG LYS 51 -1.297 -10.497 -6.077 412 HG3 LYS 51 3HG LYS 51 -1.091 -9.516 -7.534 413 HD2 LYS 51 2HD LYS 51 -0.647 -11.618 -8.834 414 HD3 LYS 51 3HD LYS 51 -0.972 -12.561 -7.376 415 HE2 LYS 51 2HE LYS 51 -3.277 -11.797 -7.343 416 HE3 LYS 51 3HE LYS 51 -2.973 -10.680 -8.675 417 HZ1 LYS 51 3HZ LYS 51 -2.528 -12.581 -10.111 418 HZ2 LYS 51 1HZ LYS 51 -4.078 -12.674 -9.445 419 HZ3 LYS 51 2HZ LYS 51 -2.838 -13.648 -8.836 420 H ASN 52 H ASN 52 2.629 -9.905 -4.182 421 HA ASN 52 HA ASN 52 5.127 -8.679 -4.742 422 HB2 ASN 52 2HB ASN 52 6.017 -10.115 -2.898 423 HB3 ASN 52 3HB ASN 52 4.557 -9.240 -2.459 424 HD21 ASN 52 1HD2 ASN 52 4.579 -10.844 -0.708 425 HD22 ASN 52 2HD2 ASN 52 3.818 -12.372 -0.974 426 H THR 53 H THR 53 3.711 -11.647 -5.788 427 HA THR 53 HA THR 53 6.172 -12.917 -6.655 428 HB THR 53 HB THR 53 4.347 -14.289 -5.782 429 HG1 THR 53 HG1 THR 53 5.416 -14.698 -8.282 430 HG21 THR 53 3HG2 THR 53 2.695 -13.381 -8.162 431 HG22 THR 53 1HG2 THR 53 2.415 -12.935 -6.467 432 HG23 THR 53 2HG2 THR 53 2.232 -14.610 -6.984 433 H ASP 54 H ASP 54 4.258 -10.476 -7.947 434 HA ASP 54 HA ASP 54 5.072 -11.086 -10.738 435 HB2 ASP 54 2HB ASP 54 2.761 -9.394 -9.693 436 HB3 ASP 54 3HB ASP 54 3.279 -9.380 -11.376 437 H GLU 55 H GLU 55 7.161 -10.298 -10.483 438 HA GLU 55 HA GLU 55 8.050 -7.926 -9.397 439 HB2 GLU 55 2HB GLU 55 10.076 -8.160 -10.688 440 HB3 GLU 55 3HB GLU 55 9.540 -9.770 -10.239 441 HG2 GLU 55 2HG GLU 55 9.166 -8.507 -12.976 442 HG3 GLU 55 3HG GLU 55 10.456 -9.626 -12.545 443 H ASN 56 H ASN 56 6.554 -8.455 -12.535 444 HA ASN 56 HA ASN 56 7.213 -6.124 -13.910 445 HB2 ASN 56 2HB ASN 56 6.185 -8.083 -14.987 446 HB3 ASN 56 3HB ASN 56 4.699 -7.855 -14.073 447 HD21 ASN 56 1HD2 ASN 56 3.265 -6.202 -14.700 448 HD22 ASN 56 2HD2 ASN 56 3.398 -5.398 -16.221 449 H LEU 57 H LEU 57 4.343 -6.818 -11.917 450 HA LEU 57 HA LEU 57 3.063 -4.309 -12.244 451 HB2 LEU 57 2HB LEU 57 2.722 -6.421 -10.078 452 HB3 LEU 57 3HB LEU 57 1.612 -5.086 -10.358 453 HG LEU 57 HG LEU 57 2.167 -7.356 -12.318 454 HD11 LEU 57 1HD1 LEU 57 -0.278 -6.848 -10.598 455 HD12 LEU 57 2HD1 LEU 57 0.902 -8.142 -10.387 456 HD13 LEU 57 3HD1 LEU 57 -0.115 -8.112 -11.823 457 HD21 LEU 57 3HD2 LEU 57 0.293 -6.435 -13.633 458 HD22 LEU 57 1HD2 LEU 57 1.633 -5.298 -13.518 459 HD23 LEU 57 2HD2 LEU 57 0.188 -5.060 -12.531 460 H ILE 58 H ILE 58 5.375 -5.543 -9.912 461 HA ILE 58 HA ILE 58 5.213 -3.468 -7.946 462 HB ILE 58 HB ILE 58 7.497 -5.414 -8.548 463 HG12 ILE 58 2HG1 ILE 58 5.230 -5.718 -6.523 464 HG13 ILE 58 3HG1 ILE 58 5.298 -6.536 -8.078 465 HG21 ILE 58 1HG2 ILE 58 8.204 -5.051 -6.199 466 HG22 ILE 58 2HG2 ILE 58 6.947 -3.826 -6.013 467 HG23 ILE 58 3HG2 ILE 58 8.275 -3.563 -7.144 468 HD11 ILE 58 3HD1 ILE 58 5.959 -8.024 -6.327 469 HD12 ILE 58 1HD1 ILE 58 7.210 -6.908 -5.781 470 HD13 ILE 58 2HD1 ILE 58 7.345 -7.689 -7.360 471 H ASN 59 H ASN 59 7.417 -4.154 -10.658 472 HA ASN 59 HA ASN 59 9.239 -2.052 -10.322 473 HB2 ASN 59 2HB ASN 59 8.542 -3.698 -12.783 474 HB3 ASN 59 3HB ASN 59 9.856 -2.523 -12.765 475 HD21 ASN 59 1HD2 ASN 59 9.881 -5.455 -13.121 476 HD22 ASN 59 2HD2 ASN 59 10.975 -6.057 -11.929 477 H HIS 60 H HIS 60 6.040 -1.995 -11.694 478 HA HIS 60 HA HIS 60 6.293 0.444 -13.167 479 HB2 HIS 60 2HB HIS 60 4.315 -1.072 -13.471 480 HB3 HIS 60 3HB HIS 60 3.772 -0.685 -11.839 481 HD1 HIS 60 HD1 HIS 60 2.743 1.649 -11.448 482 HD2 HIS 60 HD2 HIS 60 3.936 0.980 -15.376 483 HE1 HIS 60 HE1 HIS 60 1.828 3.569 -12.781 484 HE2 HIS 60 HE2 HIS 60 2.428 3.054 -15.161 485 H SER 61 H SER 61 5.128 -0.316 -9.900 486 HA SER 61 HA SER 61 4.862 2.529 -9.230 487 HB2 SER 61 2HB SER 61 3.992 0.060 -7.664 488 HB3 SER 61 3HB SER 61 3.511 1.731 -7.354 489 HG SER 61 HG SER 61 1.948 1.354 -8.685 490 H LYS 62 H LYS 62 6.779 3.383 -8.555 491 HA LYS 62 HA LYS 62 8.860 2.099 -7.163 492 HB2 LYS 62 2HB LYS 62 9.051 4.339 -8.297 493 HB3 LYS 62 3HB LYS 62 8.094 5.051 -7.002 494 HG2 LYS 62 2HG LYS 62 9.891 4.346 -5.371 495 HG3 LYS 62 3HG LYS 62 10.847 3.782 -6.741 496 HD2 LYS 62 2HD LYS 62 11.633 5.994 -6.073 497 HD3 LYS 62 3HD LYS 62 10.867 6.111 -7.658 498 HE2 LYS 62 2HE LYS 62 8.828 7.025 -6.631 499 HE3 LYS 62 3HE LYS 62 9.529 6.832 -5.022 500 HZ1 LYS 62 3HZ LYS 62 10.673 8.571 -7.141 501 HZ2 LYS 62 1HZ LYS 62 11.181 8.468 -5.534 502 HZ3 LYS 62 2HZ LYS 62 9.663 9.124 -5.903 503 H LEU 63 H LEU 63 5.878 3.605 -6.081 504 HA LEU 63 HA LEU 63 6.229 3.780 -3.308 505 HB2 LEU 63 2HB LEU 63 4.329 4.768 -4.644 506 HB3 LEU 63 3HB LEU 63 3.664 3.154 -4.830 507 HG LEU 63 HG LEU 63 3.487 3.053 -2.268 508 HD11 LEU 63 1HD1 LEU 63 5.063 4.808 -1.701 509 HD12 LEU 63 2HD1 LEU 63 3.473 5.166 -1.036 510 HD13 LEU 63 3HD1 LEU 63 4.037 6.022 -2.474 511 HD21 LEU 63 3HD2 LEU 63 1.510 3.425 -3.665 512 HD22 LEU 63 1HD2 LEU 63 1.813 5.166 -3.665 513 HD23 LEU 63 2HD2 LEU 63 1.403 4.335 -2.160 514 H ALA 64 H ALA 64 4.936 1.146 -5.341 515 HA ALA 64 HA ALA 64 4.270 -0.743 -3.382 516 HB1 ALA 64 3HB ALA 64 3.582 -0.937 -5.741 517 HB2 ALA 64 1HB ALA 64 4.405 -2.406 -5.205 518 HB3 ALA 64 2HB ALA 64 5.254 -1.234 -6.220 519 H GLN 65 H GLN 65 7.249 -0.221 -5.194 520 HA GLN 65 HA GLN 65 8.794 -2.380 -4.275 521 HB2 GLN 65 2HB GLN 65 9.790 0.361 -5.180 522 HB3 GLN 65 3HB GLN 65 10.742 -1.125 -5.141 523 HG2 GLN 65 2HG GLN 65 9.358 -2.113 -6.873 524 HG3 GLN 65 3HG GLN 65 8.263 -0.734 -6.837 525 HE21 GLN 65 1HE2 GLN 65 8.517 -0.174 -8.966 526 HE22 GLN 65 2HE2 GLN 65 9.999 0.415 -9.634 527 H GLN 66 H GLN 66 8.431 0.934 -2.997 528 HA GLN 66 HA GLN 66 10.264 0.705 -0.855 529 HB2 GLN 66 2HB GLN 66 7.837 2.526 -1.097 530 HB3 GLN 66 3HB GLN 66 9.131 2.698 0.090 531 HG2 GLN 66 2HG GLN 66 9.373 3.018 -2.919 532 HG3 GLN 66 3HG GLN 66 9.416 4.302 -1.717 533 HE21 GLN 66 1HE2 GLN 66 11.173 2.903 0.141 534 HE22 GLN 66 2HE2 GLN 66 12.732 2.878 -0.594 535 H ILE 67 H ILE 67 6.681 0.089 -1.013 536 HA ILE 67 HA ILE 67 6.250 -0.333 1.739 537 HB ILE 67 HB ILE 67 4.752 -1.503 -0.658 538 HG12 ILE 67 2HG1 ILE 67 4.057 0.895 1.110 539 HG13 ILE 67 3HG1 ILE 67 4.737 1.000 -0.507 540 HG21 ILE 67 1HG2 ILE 67 2.854 -1.947 0.875 541 HG22 ILE 67 2HG2 ILE 67 3.847 -1.457 2.249 542 HG23 ILE 67 3HG2 ILE 67 4.276 -2.893 1.315 543 HD11 ILE 67 3HD1 ILE 67 2.706 -0.021 -1.425 544 HD12 ILE 67 1HD1 ILE 67 2.364 1.458 -0.529 545 HD13 ILE 67 2HD1 ILE 67 2.017 -0.110 0.199 546 H PHE 68 H PHE 68 7.098 -2.651 -0.847 547 HA PHE 68 HA PHE 68 7.281 -4.971 0.789 548 HB2 PHE 68 2HB PHE 68 8.550 -4.377 -1.917 549 HB3 PHE 68 3HB PHE 68 8.558 -5.962 -1.150 550 HD1 PHE 68 HD1 PHE 68 5.960 -6.573 -0.252 551 HD2 PHE 68 HD2 PHE 68 7.011 -4.249 -3.692 552 HE1 PHE 68 HE1 PHE 68 3.800 -7.124 -1.301 553 HE2 PHE 68 HE2 PHE 68 4.847 -4.803 -4.721 554 HZ PHE 68 HZ PHE 68 3.241 -6.240 -3.531 555 H LEU 69 H LEU 69 9.638 -2.438 -0.066 556 HA LEU 69 HA LEU 69 11.957 -3.672 1.029 557 HB2 LEU 69 2HB LEU 69 12.245 -1.870 -0.526 558 HB3 LEU 69 3HB LEU 69 11.190 -0.812 0.387 559 HG LEU 69 HG LEU 69 12.933 -0.616 2.171 560 HD11 LEU 69 1HD1 LEU 69 14.726 -2.209 0.308 561 HD12 LEU 69 2HD1 LEU 69 14.102 -2.748 1.869 562 HD13 LEU 69 3HD1 LEU 69 15.223 -1.393 1.795 563 HD21 LEU 69 3HD2 LEU 69 12.788 1.066 0.391 564 HD22 LEU 69 1HD2 LEU 69 13.922 0.140 -0.598 565 HD23 LEU 69 2HD2 LEU 69 14.450 0.849 0.932 566 H GLN 70 H GLN 70 9.349 -1.715 2.428 567 HA GLN 70 HA GLN 70 10.671 -1.220 4.940 568 HB2 GLN 70 2HB GLN 70 7.677 -1.011 4.375 569 HB3 GLN 70 3HB GLN 70 8.556 -0.282 5.714 570 HG2 GLN 70 2HG GLN 70 8.613 0.509 2.802 571 HG3 GLN 70 3HG GLN 70 8.054 1.454 4.168 572 HE21 GLN 70 1HE2 GLN 70 9.566 2.546 5.421 573 HE22 GLN 70 2HE2 GLN 70 11.204 2.761 4.917 574 H CYS 71 H CYS 71 8.307 -3.540 3.687 575 HA CYS 71 HA CYS 71 8.735 -5.383 5.881 576 HB2 CYS 71 2HB CYS 71 5.936 -4.321 5.277 577 HB3 CYS 71 3HB CYS 71 6.338 -5.588 6.434 578 HG CYS 71 HG CYS 71 7.166 -2.282 6.689 579 HA PRO 72 HA PRO 72 8.279 -7.621 1.817 580 HB2 PRO 72 2HB PRO 72 9.770 -9.737 3.331 581 HB3 PRO 72 3HB PRO 72 10.141 -8.996 1.759 582 HG2 PRO 72 2HG PRO 72 11.612 -8.391 3.897 583 HG3 PRO 72 3HG PRO 72 11.184 -7.137 2.709 584 HD2 PRO 72 2HD PRO 72 9.907 -7.693 5.395 585 HD3 PRO 72 3HD PRO 72 10.413 -6.139 4.689 586 H GLY 73 H GLY 73 6.786 -8.019 4.764 587 HA2 GLY 73 2HA GLY 73 5.695 -10.686 4.466 588 HA3 GLY 73 3HA GLY 73 5.274 -9.498 5.689 589 H VAL 74 H VAL 74 4.981 -7.746 2.987 590 HA VAL 74 HA VAL 74 2.115 -7.941 2.874 591 HB VAL 74 HB VAL 74 4.023 -6.371 1.079 592 HG11 VAL 74 1HG1 VAL 74 1.022 -6.057 1.464 593 HG12 VAL 74 2HG1 VAL 74 1.828 -6.667 0.017 594 HG13 VAL 74 3HG1 VAL 74 2.055 -4.989 0.509 595 HG21 VAL 74 3HG2 VAL 74 4.247 -5.702 3.451 596 HG22 VAL 74 1HG2 VAL 74 2.504 -5.434 3.553 597 HG23 VAL 74 2HG2 VAL 74 3.496 -4.418 2.502 598 H GLU 75 H GLU 75 0.892 -9.136 1.519 599 HA GLU 75 HA GLU 75 2.143 -11.062 -0.278 600 HB2 GLU 75 2HB GLU 75 -0.772 -10.729 0.568 601 HB3 GLU 75 3HB GLU 75 -0.135 -12.064 -0.394 602 HG2 GLU 75 2HG GLU 75 1.383 -12.611 1.584 603 HG3 GLU 75 3HG GLU 75 0.464 -11.427 2.509 604 H SER 76 H SER 76 -0.271 -8.460 -0.455 605 HA SER 76 HA SER 76 0.409 -7.833 -3.184 606 HB2 SER 76 2HB SER 76 -1.910 -8.103 -4.074 607 HB3 SER 76 3HB SER 76 -1.214 -9.644 -3.577 608 HG SER 76 HG SER 76 -2.856 -9.860 -2.309 609 H LEU 77 H LEU 77 -0.862 -5.992 -3.977 610 HA LEU 77 HA LEU 77 -1.783 -4.121 -1.885 611 HB2 LEU 77 2HB LEU 77 -0.169 -3.460 -4.399 612 HB3 LEU 77 3HB LEU 77 -0.705 -2.308 -3.183 613 HG LEU 77 HG LEU 77 1.326 -4.525 -2.678 614 HD11 LEU 77 1HD1 LEU 77 2.218 -2.888 -4.257 615 HD12 LEU 77 2HD1 LEU 77 3.040 -2.799 -2.702 616 HD13 LEU 77 3HD1 LEU 77 1.839 -1.574 -3.136 617 HD21 LEU 77 3HD2 LEU 77 0.564 -2.156 -0.944 618 HD22 LEU 77 1HD2 LEU 77 1.827 -3.343 -0.601 619 HD23 LEU 77 2HD2 LEU 77 0.138 -3.844 -0.645 620 H MET 78 H MET 78 -3.826 -3.453 -2.350 621 HA MET 78 HA MET 78 -4.876 -3.699 -5.105 622 HB2 MET 78 2HB MET 78 -6.221 -4.896 -3.431 623 HB3 MET 78 3HB MET 78 -6.342 -3.451 -2.447 624 HG2 MET 78 2HG MET 78 -7.691 -2.357 -4.186 625 HG3 MET 78 3HG MET 78 -7.529 -3.779 -5.215 626 HE1 MET 78 3HE MET 78 -9.655 -6.448 -3.303 627 HE2 MET 78 1HE MET 78 -7.908 -6.231 -3.200 628 HE3 MET 78 2HE MET 78 -8.726 -6.095 -4.760 629 H ILE 79 H ILE 79 -4.223 -1.893 -6.060 630 HA ILE 79 HA ILE 79 -3.926 0.649 -4.731 631 HB ILE 79 HB ILE 79 -3.670 0.052 -7.719 632 HG12 ILE 79 2HG1 ILE 79 -2.110 -1.449 -6.518 633 HG13 ILE 79 3HG1 ILE 79 -1.230 -0.224 -7.414 634 HG21 ILE 79 1HG2 ILE 79 -2.566 2.339 -6.043 635 HG22 ILE 79 2HG2 ILE 79 -3.868 2.432 -7.232 636 HG23 ILE 79 3HG2 ILE 79 -2.224 2.073 -7.756 637 HD11 ILE 79 3HD1 ILE 79 -0.171 -0.604 -5.320 638 HD12 ILE 79 1HD1 ILE 79 -1.676 -0.339 -4.445 639 HD13 ILE 79 2HD1 ILE 79 -0.895 1.003 -5.283 640 H GLY 80 H GLY 80 -5.881 1.567 -4.237 641 HA2 GLY 80 2HA GLY 80 -8.102 1.548 -6.168 642 HA3 GLY 80 3HA GLY 80 -8.135 2.172 -4.517 643 H ASP 81 H ASP 81 -9.204 3.743 -6.390 644 HA ASP 81 HA ASP 81 -7.353 5.673 -7.427 645 HB2 ASP 81 2HB ASP 81 -10.381 5.705 -7.113 646 HB3 ASP 81 3HB ASP 81 -9.464 7.015 -7.852 647 H ASP 82 H ASP 82 -9.792 5.701 -4.868 648 HA ASP 82 HA ASP 82 -8.654 8.165 -3.713 649 HB2 ASP 82 2HB ASP 82 -11.104 8.005 -4.461 650 HB3 ASP 82 3HB ASP 82 -11.357 6.868 -3.137 651 H PHE 83 H PHE 83 -8.485 4.849 -3.243 652 HA PHE 83 HA PHE 83 -7.709 5.116 -0.414 653 HB2 PHE 83 2HB PHE 83 -8.999 3.148 0.278 654 HB3 PHE 83 3HB PHE 83 -10.085 4.355 -0.394 655 HD1 PHE 83 HD2 PHE 83 -10.932 4.025 -2.812 656 HD2 PHE 83 HD1 PHE 83 -8.960 0.926 -0.605 657 HE1 PHE 83 HE2 PHE 83 -11.854 2.332 -4.343 658 HE2 PHE 83 HE1 PHE 83 -9.887 -0.753 -2.147 659 HZ PHE 83 HZ PHE 83 -11.334 -0.052 -4.015 660 H LEU 84 H LEU 84 -6.627 2.967 0.347 661 HA LEU 84 HA LEU 84 -5.360 1.425 -1.826 662 HB2 LEU 84 2HB LEU 84 -3.815 3.290 -1.303 663 HB3 LEU 84 3HB LEU 84 -3.804 2.836 0.389 664 HG LEU 84 HG LEU 84 -2.646 0.730 -0.150 665 HD11 LEU 84 1HD1 LEU 84 -1.826 0.235 -2.405 666 HD12 LEU 84 2HD1 LEU 84 -2.726 1.617 -3.039 667 HD13 LEU 84 3HD1 LEU 84 -3.586 0.247 -2.330 668 HD21 LEU 84 3HD2 LEU 84 -0.475 1.638 -0.853 669 HD22 LEU 84 1HD2 LEU 84 -1.270 2.698 0.310 670 HD23 LEU 84 2HD2 LEU 84 -1.264 3.121 -1.403 671 H THR 85 H THR 85 -5.941 -0.610 -1.328 672 HA THR 85 HA THR 85 -6.334 -1.399 1.490 673 HB THR 85 HB THR 85 -7.221 -2.784 -1.082 674 HG1 THR 85 HG1 THR 85 -8.199 -0.679 -0.325 675 HG21 THR 85 3HG2 THR 85 -8.656 -4.181 0.364 676 HG22 THR 85 1HG2 THR 85 -7.987 -3.408 1.797 677 HG23 THR 85 2HG2 THR 85 -6.953 -4.415 0.776 678 H ILE 86 H ILE 86 -4.432 -2.058 2.286 679 HA ILE 86 HA ILE 86 -2.416 -3.446 0.683 680 HB ILE 86 HB ILE 86 -2.388 -2.665 3.640 681 HG12 ILE 86 2HG1 ILE 86 -2.649 -0.704 2.044 682 HG13 ILE 86 3HG1 ILE 86 -1.225 -0.640 3.062 683 HG21 ILE 86 1HG2 ILE 86 0.082 -2.897 3.480 684 HG22 ILE 86 2HG2 ILE 86 -0.082 -3.485 1.825 685 HG23 ILE 86 3HG2 ILE 86 -0.750 -4.421 3.165 686 HD11 ILE 86 3HD1 ILE 86 -1.311 -1.403 0.159 687 HD12 ILE 86 1HD1 ILE 86 0.140 -1.398 1.169 688 HD13 ILE 86 2HD1 ILE 86 -0.722 0.105 0.852 689 H ASN 87 H ASN 87 -2.360 -5.618 0.607 690 HA ASN 87 HA ASN 87 -3.745 -7.239 2.665 691 HB2 ASN 87 2HB ASN 87 -3.011 -8.059 -0.189 692 HB3 ASN 87 3HB ASN 87 -3.970 -8.988 0.964 693 HD21 ASN 87 1HD2 ASN 87 -3.984 -6.350 -1.295 694 HD22 ASN 87 2HD2 ASN 87 -5.683 -6.051 -1.257 695 H LYS 88 H LYS 88 -2.370 -8.122 4.056 696 HA LYS 88 HA LYS 88 0.386 -8.842 3.219 697 HB2 LYS 88 2HB LYS 88 1.190 -8.105 5.491 698 HB3 LYS 88 3HB LYS 88 0.617 -6.799 4.471 699 HG2 LYS 88 2HG LYS 88 -0.183 -6.267 6.620 700 HG3 LYS 88 3HG LYS 88 -1.588 -6.920 5.774 701 HD2 LYS 88 2HD LYS 88 -1.221 -9.112 6.907 702 HD3 LYS 88 3HD LYS 88 0.157 -8.428 7.769 703 HE2 LYS 88 2HE LYS 88 -1.313 -6.877 8.934 704 HE3 LYS 88 3HE LYS 88 -2.700 -7.443 7.999 705 HZ1 LYS 88 3HZ LYS 88 -2.639 -8.448 10.176 706 HZ2 LYS 88 1HZ LYS 88 -1.102 -9.081 9.881 707 HZ3 LYS 88 2HZ LYS 88 -2.422 -9.625 8.985 708 H ASP 89 H ASP 89 1.400 -10.238 5.101 709 HA ASP 89 HA ASP 89 -0.157 -12.657 5.234 710 HB2 ASP 89 2HB ASP 89 2.315 -12.624 4.835 711 HB3 ASP 89 3HB ASP 89 2.562 -12.033 6.474 712 H ARG 90 H ARG 90 -1.095 -13.578 7.046 713 HA ARG 90 HA ARG 90 -2.152 -11.725 8.910 714 HB2 ARG 90 2HB ARG 90 -3.576 -13.474 9.657 715 HB3 ARG 90 3HB ARG 90 -3.371 -13.696 7.925 716 HG2 ARG 90 2HG ARG 90 -1.680 -15.503 8.430 717 HG3 ARG 90 3HG ARG 90 -2.078 -15.319 10.142 718 HD2 ARG 90 2HD ARG 90 -3.853 -16.320 7.901 719 HD3 ARG 90 3HD ARG 90 -3.374 -17.160 9.379 720 HE ARG 90 HE ARG 90 -4.854 -14.824 10.029 721 HH11 ARG 90 1HH1 ARG 90 -5.347 -18.066 8.769 722 HH12 ARG 90 2HH1 ARG 90 -6.992 -18.146 9.300 723 HH21 ARG 90 1HH2 ARG 90 -7.047 -14.904 10.590 724 HH22 ARG 90 2HH2 ARG 90 -7.956 -16.360 10.331 725 H MET 91 H MET 91 0.595 -13.874 9.129 726 HA MET 91 HA MET 91 0.777 -13.817 12.026 727 HB2 MET 91 2HB MET 91 2.781 -14.713 9.910 728 HB3 MET 91 3HB MET 91 3.037 -14.876 11.645 729 HG2 MET 91 2HG MET 91 1.112 -16.382 11.810 730 HG3 MET 91 3HG MET 91 0.789 -16.188 10.087 731 HE1 MET 91 3HE MET 91 3.830 -18.033 8.444 732 HE2 MET 91 1HE MET 91 3.652 -16.299 8.720 733 HE3 MET 91 2HE MET 91 2.276 -17.252 8.155 734 H VAL 92 H VAL 92 1.756 -11.770 9.414 735 HA VAL 92 HA VAL 92 3.687 -10.210 10.994 736 HB VAL 92 HB VAL 92 2.671 -9.690 8.145 737 HG11 VAL 92 1HG1 VAL 92 5.154 -8.630 9.554 738 HG12 VAL 92 2HG1 VAL 92 3.684 -7.709 9.231 739 HG13 VAL 92 3HG1 VAL 92 4.674 -8.284 7.889 740 HG21 VAL 92 3HG2 VAL 92 5.177 -11.199 8.996 741 HG22 VAL 92 1HG2 VAL 92 4.753 -10.766 7.335 742 HG23 VAL 92 2HG2 VAL 92 3.748 -11.904 8.236 743 H HIS 93 H HIS 93 3.187 -8.043 11.684 744 HA HIS 93 HA HIS 93 0.272 -7.509 11.893 745 HB2 HIS 93 2HB HIS 93 2.523 -6.930 13.856 746 HB3 HIS 93 3HB HIS 93 0.865 -6.380 14.067 747 HD1 HIS 93 HD1 HIS 93 3.044 -9.302 14.571 748 HD2 HIS 93 HD2 HIS 93 -1.033 -8.518 14.504 749 HE1 HIS 93 HE1 HIS 93 1.958 -11.300 15.623 750 HE2 HIS 93 HE2 HIS 93 -0.505 -10.882 15.385 751 H TRP 94 H TRP 94 -0.434 -5.302 12.143 752 HA TRP 94 HA TRP 94 0.562 -3.617 10.062 753 HB2 TRP 94 2HB TRP 94 -1.635 -3.178 12.125 754 HB3 TRP 94 3HB TRP 94 -1.262 -2.014 10.853 755 HD1 TRP 94 HD1 TRP 94 -3.463 -4.895 11.498 756 HE1 TRP 94 HE1 TRP 94 -4.520 -5.733 9.311 757 HE3 TRP 94 HE3 TRP 94 -0.484 -2.410 8.148 758 HZ2 TRP 94 HZ2 TRP 94 -4.135 -5.407 6.545 759 HZ3 TRP 94 HZ3 TRP 94 -0.899 -2.735 5.743 760 HH2 TRP 94 HH2 TRP 94 -2.689 -4.205 4.966 761 H ASN 95 H ASN 95 1.131 -3.668 13.510 762 HA ASN 95 HA ASN 95 1.736 -0.959 13.977 763 HB2 ASN 95 2HB ASN 95 2.845 -1.674 16.017 764 HB3 ASN 95 3HB ASN 95 1.437 -2.699 15.776 765 HD21 ASN 95 1HD2 ASN 95 4.910 -2.579 15.818 766 HD22 ASN 95 2HD2 ASN 95 5.172 -4.283 15.810 767 H SER 96 H SER 96 3.540 -3.443 12.392 768 HA SER 96 HA SER 96 6.069 -2.006 12.314 769 HB2 SER 96 2HB SER 96 5.209 -4.576 10.913 770 HB3 SER 96 3HB SER 96 6.865 -3.993 11.114 771 HG SER 96 HG SER 96 6.679 -4.311 13.319 772 H ILE 97 H ILE 97 3.319 -2.701 10.117 773 HA ILE 97 HA ILE 97 4.881 -1.919 7.751 774 HB ILE 97 HB ILE 97 1.997 -2.922 7.669 775 HG12 ILE 97 2HG1 ILE 97 4.489 -4.689 7.727 776 HG13 ILE 97 3HG1 ILE 97 3.306 -4.556 9.021 777 HG21 ILE 97 1HG2 ILE 97 4.269 -3.193 5.655 778 HG22 ILE 97 2HG2 ILE 97 2.989 -1.985 5.582 779 HG23 ILE 97 3HG2 ILE 97 2.589 -3.693 5.418 780 HD11 ILE 97 3HD1 ILE 97 1.589 -5.498 7.540 781 HD12 ILE 97 1HD1 ILE 97 2.961 -6.579 7.759 782 HD13 ILE 97 2HD1 ILE 97 2.797 -5.668 6.261 783 H LYS 98 H LYS 98 1.789 -1.109 9.335 784 HA LYS 98 HA LYS 98 0.704 0.690 7.586 785 HB2 LYS 98 2HB LYS 98 -0.577 -0.257 9.399 786 HB3 LYS 98 3HB LYS 98 0.428 0.543 10.600 787 HG2 LYS 98 2HG LYS 98 -0.417 2.743 9.837 788 HG3 LYS 98 3HG LYS 98 -1.450 1.920 8.664 789 HD2 LYS 98 2HD LYS 98 -2.620 0.765 10.544 790 HD3 LYS 98 3HD LYS 98 -1.606 1.647 11.691 791 HE2 LYS 98 2HE LYS 98 -2.543 3.788 10.801 792 HE3 LYS 98 3HE LYS 98 -3.612 2.851 9.755 793 HZ1 LYS 98 3HZ LYS 98 -4.810 3.470 11.701 794 HZ2 LYS 98 1HZ LYS 98 -3.600 2.881 12.728 795 HZ3 LYS 98 2HZ LYS 98 -4.519 1.811 11.797 796 HA PRO 99 HA PRO 99 2.680 4.569 10.012 797 HB2 PRO 99 2HB PRO 99 5.261 4.087 11.004 798 HB3 PRO 99 3HB PRO 99 3.787 4.076 11.996 799 HG2 PRO 99 2HG PRO 99 5.238 1.747 10.760 800 HG3 PRO 99 3HG PRO 99 4.573 1.912 12.405 801 HD2 PRO 99 2HD PRO 99 3.231 0.526 10.566 802 HD3 PRO 99 3HD PRO 99 2.351 1.595 11.680 803 H GLU 100 H GLU 100 4.736 2.149 8.460 804 HA GLU 100 HA GLU 100 6.454 3.910 7.046 805 HB2 GLU 100 2HB GLU 100 5.715 1.025 6.371 806 HB3 GLU 100 3HB GLU 100 7.123 1.909 5.779 807 HG2 GLU 100 2HG GLU 100 6.583 1.050 8.638 808 HG3 GLU 100 3HG GLU 100 7.783 0.370 7.538 809 H ILE 101 H ILE 101 3.472 2.167 6.161 810 HA ILE 101 HA ILE 101 3.345 2.870 3.432 811 HB ILE 101 HB ILE 101 1.045 2.214 5.335 812 HG12 ILE 101 2HG1 ILE 101 2.559 0.348 3.447 813 HG13 ILE 101 3HG1 ILE 101 2.837 0.447 5.182 814 HG21 ILE 101 1HG2 ILE 101 1.083 2.133 2.290 815 HG22 ILE 101 2HG2 ILE 101 0.192 3.285 3.287 816 HG23 ILE 101 3HG2 ILE 101 -0.246 1.577 3.316 817 HD11 ILE 101 3HD1 ILE 101 0.537 -0.297 5.585 818 HD12 ILE 101 1HD1 ILE 101 1.467 -1.457 4.638 819 HD13 ILE 101 2HD1 ILE 101 0.290 -0.423 3.844 820 H ILE 102 H ILE 102 1.834 4.386 6.320 821 HA ILE 102 HA ILE 102 0.428 6.457 5.062 822 HB ILE 102 HB ILE 102 1.700 6.459 7.845 823 HG12 ILE 102 2HG1 ILE 102 -1.156 5.753 7.007 824 HG13 ILE 102 3HG1 ILE 102 0.085 4.580 7.433 825 HG21 ILE 102 1HG2 ILE 102 1.129 8.759 7.127 826 HG22 ILE 102 2HG2 ILE 102 0.079 8.223 8.437 827 HG23 ILE 102 3HG2 ILE 102 -0.524 8.245 6.780 828 HD11 ILE 102 3HD1 ILE 102 -1.130 6.636 9.273 829 HD12 ILE 102 1HD1 ILE 102 0.161 5.510 9.704 830 HD13 ILE 102 2HD1 ILE 102 -1.432 4.898 9.267 831 H ASP 103 H ASP 103 3.772 6.362 6.328 832 HA ASP 103 HA ASP 103 4.574 9.007 5.796 833 HB2 ASP 103 2HB ASP 103 5.888 7.530 7.242 834 HB3 ASP 103 3HB ASP 103 6.194 6.422 5.913 835 H LEU 104 H LEU 104 4.887 6.067 3.794 836 HA LEU 104 HA LEU 104 6.254 7.178 1.599 837 HB2 LEU 104 2HB LEU 104 4.430 4.753 1.767 838 HB3 LEU 104 3HB LEU 104 5.436 5.122 0.373 839 HG LEU 104 HG LEU 104 6.492 4.528 3.163 840 HD11 LEU 104 1HD1 LEU 104 5.482 2.537 2.204 841 HD12 LEU 104 2HD1 LEU 104 7.233 2.375 2.257 842 HD13 LEU 104 3HD1 LEU 104 6.429 2.731 0.727 843 HD21 LEU 104 3HD2 LEU 104 8.698 4.396 2.097 844 HD22 LEU 104 1HD2 LEU 104 7.992 6.002 1.933 845 HD23 LEU 104 2HD2 LEU 104 7.994 4.894 0.556 846 H LEU 105 H LEU 105 2.796 6.799 2.237 847 HA LEU 105 HA LEU 105 1.863 7.767 -0.290 848 HB2 LEU 105 2HB LEU 105 0.585 7.089 2.352 849 HB3 LEU 105 3HB LEU 105 -0.327 8.093 1.246 850 HG LEU 105 HG LEU 105 -0.318 6.329 -0.458 851 HD11 LEU 105 1HD1 LEU 105 1.853 5.299 -0.009 852 HD12 LEU 105 2HD1 LEU 105 0.565 4.102 -0.072 853 HD13 LEU 105 3HD1 LEU 105 1.225 4.602 1.486 854 HD21 LEU 105 3HD2 LEU 105 -2.134 6.352 1.186 855 HD22 LEU 105 1HD2 LEU 105 -1.212 5.282 2.247 856 HD23 LEU 105 2HD2 LEU 105 -1.771 4.707 0.673 857 H THR 106 H THR 106 2.873 9.334 2.693 858 HA THR 106 HA THR 106 1.516 11.843 2.254 859 HB THR 106 HB THR 106 3.817 11.066 4.112 860 HG1 THR 106 HG1 THR 106 1.401 10.315 4.267 861 HG21 THR 106 3HG2 THR 106 3.277 13.130 5.394 862 HG22 THR 106 1HG2 THR 106 2.143 13.610 4.135 863 HG23 THR 106 2HG2 THR 106 3.869 13.510 3.775 864 H LYS 107 H LYS 107 4.810 10.550 1.817 865 HA LYS 107 HA LYS 107 5.919 13.044 0.909 866 HB2 LYS 107 2HB LYS 107 8.020 11.825 0.680 867 HB3 LYS 107 3HB LYS 107 7.256 11.438 2.216 868 HG2 LYS 107 2HG LYS 107 6.387 9.308 1.112 869 HG3 LYS 107 3HG LYS 107 7.449 9.681 -0.248 870 HD2 LYS 107 2HD LYS 107 8.286 9.123 2.630 871 HD3 LYS 107 3HD LYS 107 8.543 8.083 1.230 872 HE2 LYS 107 2HE LYS 107 10.022 9.845 0.246 873 HE3 LYS 107 3HE LYS 107 9.825 10.793 1.721 874 HZ1 LYS 107 3HZ LYS 107 11.870 9.498 1.738 875 HZ2 LYS 107 1HZ LYS 107 10.990 8.060 1.584 876 HZ3 LYS 107 2HZ LYS 107 10.834 9.002 2.974 877 H GLN 108 H GLN 108 4.738 10.071 -0.685 878 HA GLN 108 HA GLN 108 5.609 10.563 -3.322 879 HB2 GLN 108 2HB GLN 108 4.647 8.397 -2.859 880 HB3 GLN 108 3HB GLN 108 3.145 9.103 -2.269 881 HG2 GLN 108 2HG GLN 108 2.609 9.866 -4.571 882 HG3 GLN 108 3HG GLN 108 4.110 9.158 -5.151 883 HE21 GLN 108 1HE2 GLN 108 4.209 6.938 -5.478 884 HE22 GLN 108 2HE2 GLN 108 2.820 5.920 -5.405 885 H LEU 109 H LEU 109 2.520 11.385 -1.742 886 HA LEU 109 HA LEU 109 1.487 12.815 -4.004 887 HB2 LEU 109 2HB LEU 109 0.483 12.692 -1.140 888 HB3 LEU 109 3HB LEU 109 -0.425 13.320 -2.507 889 HG LEU 109 HG LEU 109 0.407 10.417 -2.067 890 HD11 LEU 109 1HD1 LEU 109 -1.440 11.085 -0.631 891 HD12 LEU 109 2HD1 LEU 109 -2.003 9.964 -1.868 892 HD13 LEU 109 3HD1 LEU 109 -2.347 11.692 -2.019 893 HD21 LEU 109 3HD2 LEU 109 -0.894 9.871 -4.095 894 HD22 LEU 109 1HD2 LEU 109 0.504 10.881 -4.451 895 HD23 LEU 109 2HD2 LEU 109 -1.111 11.593 -4.420 896 H ALA 110 H ALA 110 3.508 13.693 -1.319 897 HA ALA 110 HA ALA 110 3.133 16.519 -1.357 898 HB1 ALA 110 3HB ALA 110 4.277 15.390 0.506 899 HB2 ALA 110 1HB ALA 110 5.308 16.638 -0.198 900 HB3 ALA 110 2HB ALA 110 5.604 14.933 -0.563 901 H TYR 111 H TYR 111 5.468 14.365 -3.002 902 HA TYR 111 HA TYR 111 6.550 16.410 -4.713 903 HB2 TYR 111 2HB TYR 111 6.634 13.379 -5.087 904 HB3 TYR 111 3HB TYR 111 7.671 14.550 -5.897 905 HD1 TYR 111 HD2 TYR 111 8.473 16.300 -3.592 906 HD2 TYR 111 HD1 TYR 111 8.152 12.039 -3.840 907 HE1 TYR 111 HE2 TYR 111 10.121 16.064 -1.785 908 HE2 TYR 111 HE1 TYR 111 9.801 11.808 -2.032 909 HH TYR 111 HH TYR 111 10.758 14.438 -0.085 910 H GLY 112 H GLY 112 3.687 14.509 -4.719 911 HA2 GLY 112 2HA GLY 112 1.834 14.540 -6.064 912 HA3 GLY 112 3HA GLY 112 2.617 15.738 -7.089 913 H GLU 113 H GLU 113 3.576 12.439 -6.171 914 HA GLU 113 HA GLU 113 4.218 11.765 -8.939 915 HB2 GLU 113 2HB GLU 113 4.659 10.183 -6.374 916 HB3 GLU 113 3HB GLU 113 5.241 9.723 -7.974 917 HG2 GLU 113 2HG GLU 113 6.626 11.806 -8.013 918 HG3 GLU 113 3HG GLU 113 6.093 12.140 -6.364 919 H ASP 114 H ASP 114 3.801 9.373 -9.453 920 HA ASP 114 HA ASP 114 0.904 8.804 -9.205 921 HB2 ASP 114 2HB ASP 114 2.874 7.880 -11.358 922 HB3 ASP 114 3HB ASP 114 1.123 7.686 -11.383 923 H VAL 115 H VAL 115 0.451 6.979 -7.986 924 HA VAL 115 HA VAL 115 2.406 4.891 -7.558 925 HB VAL 115 HB VAL 115 0.752 5.203 -5.802 926 HG11 VAL 115 1HG1 VAL 115 -1.138 6.074 -7.100 927 HG12 VAL 115 2HG1 VAL 115 -1.644 4.746 -6.056 928 HG13 VAL 115 3HG1 VAL 115 -1.423 4.471 -7.786 929 HG21 VAL 115 3HG2 VAL 115 1.628 2.934 -6.074 930 HG22 VAL 115 1HG2 VAL 115 0.329 2.534 -7.203 931 HG23 VAL 115 2HG2 VAL 115 -0.043 2.870 -5.509 932 H ILE 116 H ILE 116 -0.689 5.071 -9.380 933 HA ILE 116 HA ILE 116 0.577 3.560 -11.580 934 HB ILE 116 HB ILE 116 -2.405 3.443 -10.862 935 HG12 ILE 116 2HG1 ILE 116 -0.950 2.079 -9.300 936 HG13 ILE 116 3HG1 ILE 116 -2.079 1.102 -10.225 937 HG21 ILE 116 1HG2 ILE 116 -2.574 1.775 -12.695 938 HG22 ILE 116 2HG2 ILE 116 -0.861 2.002 -13.069 939 HG23 ILE 116 3HG2 ILE 116 -2.003 3.332 -13.305 940 HD11 ILE 116 3HD1 ILE 116 0.081 0.042 -10.015 941 HD12 ILE 116 1HD1 ILE 116 0.866 1.419 -10.784 942 HD13 ILE 116 2HD1 ILE 116 -0.258 0.412 -11.705 943 H SER 117 H SER 117 0.761 4.836 -13.310 944 HA SER 117 HA SER 117 -0.231 7.550 -13.275 945 HB2 SER 117 2HB SER 117 2.113 7.009 -13.921 946 HB3 SER 117 3HB SER 117 1.530 6.050 -15.279 947 HG SER 117 HG SER 117 2.239 8.303 -15.663 948 H LYS 118 H LYS 118 -0.815 8.375 -15.614 949 HA LYS 118 HA LYS 118 -3.148 6.982 -16.663 950 HB2 LYS 118 2HB LYS 118 -3.185 9.089 -18.215 951 HB3 LYS 118 3HB LYS 118 -3.519 9.303 -16.507 952 HG2 LYS 118 2HG LYS 118 -2.132 11.128 -17.223 953 HG3 LYS 118 3HG LYS 118 -1.166 10.087 -16.177 954 HD2 LYS 118 2HD LYS 118 -0.152 9.059 -18.239 955 HD3 LYS 118 3HD LYS 118 -1.039 10.235 -19.213 956 HE2 LYS 118 2HE LYS 118 1.292 10.938 -18.842 957 HE3 LYS 118 3HE LYS 118 0.162 12.073 -18.105 958 HZ1 LYS 118 3HZ LYS 118 1.569 9.912 -16.623 959 HZ2 LYS 118 1HZ LYS 118 0.609 11.132 -15.955 960 HZ3 LYS 118 2HZ LYS 118 2.084 11.517 -16.681 961 H GLU 119 H GLU 119 -0.192 6.104 -17.033 962 HA GLU 119 HA GLU 119 0.345 6.057 -19.836 963 HB2 GLU 119 2HB GLU 119 2.124 5.880 -18.139 964 HB3 GLU 119 3HB GLU 119 1.428 4.385 -17.523 965 HG2 GLU 119 2HG GLU 119 1.877 3.350 -19.798 966 HG3 GLU 119 3HG GLU 119 2.762 4.818 -20.216 Start of MODEL 11 1 H1 MET 1 1H MET 1 30.429 30.219 44.783 2 H2 MET 1 2H MET 1 30.902 31.232 43.518 3 H3 MET 1 3H MET 1 30.104 29.782 43.183 4 HA MET 1 HA MET 1 28.122 30.545 44.218 5 HB2 MET 1 2HB MET 1 29.269 31.968 45.930 6 HB3 MET 1 3HB MET 1 29.657 33.147 44.689 7 HG2 MET 1 2HG MET 1 26.819 32.401 45.431 8 HG3 MET 1 3HG MET 1 27.707 33.715 46.198 9 HE1 MET 1 3HE MET 1 24.889 34.271 44.918 10 HE2 MET 1 1HE MET 1 25.208 35.730 43.984 11 HE3 MET 1 2HE MET 1 25.908 35.547 45.593 12 H GLY 2 H GLY 2 26.767 30.826 42.549 13 HA2 GLY 2 2HA GLY 2 26.094 32.626 40.855 14 HA3 GLY 2 3HA GLY 2 27.654 32.277 40.125 15 H HIS 3 H HIS 3 24.466 31.670 39.792 16 HA HIS 3 HA HIS 3 24.927 29.567 37.900 17 HB2 HIS 3 2HB HIS 3 23.325 27.907 38.803 18 HB3 HIS 3 3HB HIS 3 24.680 28.148 39.895 19 HD1 HIS 3 HD1 HIS 3 21.025 28.119 39.784 20 HD2 HIS 3 HD2 HIS 3 23.954 29.722 42.259 21 HE1 HIS 3 HE1 HIS 3 19.852 28.724 41.918 22 HE2 HIS 3 HE2 HIS 3 21.635 29.722 43.387 23 H HIS 4 H HIS 4 24.046 30.648 36.262 24 HA HIS 4 HA HIS 4 21.180 31.290 36.292 25 HB2 HIS 4 2HB HIS 4 22.399 33.416 36.909 26 HB3 HIS 4 3HB HIS 4 23.295 33.320 35.397 27 HD1 HIS 4 HD1 HIS 4 20.074 34.460 36.845 28 HD2 HIS 4 HD2 HIS 4 21.681 33.897 33.046 29 HE1 HIS 4 HE1 HIS 4 18.548 35.685 35.267 30 HE2 HIS 4 HE2 HIS 4 19.599 35.419 32.999 31 H HIS 5 H HIS 5 20.829 29.590 34.885 32 HA HIS 5 HA HIS 5 21.973 29.800 32.144 33 HB2 HIS 5 2HB HIS 5 21.225 27.288 33.713 34 HB3 HIS 5 3HB HIS 5 21.601 27.294 31.995 35 HD1 HIS 5 HD1 HIS 5 23.962 26.722 31.473 36 HD2 HIS 5 HD2 HIS 5 23.609 28.291 35.307 37 HE1 HIS 5 HE1 HIS 5 26.240 26.516 32.504 38 HE2 HIS 5 HE2 HIS 5 26.016 27.506 34.801 39 H HIS 6 H HIS 6 20.383 30.665 30.923 40 HA HIS 6 HA HIS 6 17.670 29.493 30.956 41 HB2 HIS 6 2HB HIS 6 18.339 32.462 31.156 42 HB3 HIS 6 3HB HIS 6 16.781 31.904 30.564 43 HD1 HIS 6 HD1 HIS 6 15.045 31.295 32.259 44 HD2 HIS 6 HD2 HIS 6 18.801 31.774 33.976 45 HE1 HIS 6 HE1 HIS 6 14.676 31.182 34.736 46 HE2 HIS 6 HE2 HIS 6 16.932 31.626 35.752 47 H HIS 7 H HIS 7 19.082 28.451 29.221 48 HA HIS 7 HA HIS 7 19.274 29.989 26.714 49 HB2 HIS 7 2HB HIS 7 21.130 28.430 27.688 50 HB3 HIS 7 3HB HIS 7 20.132 27.094 27.140 51 HD1 HIS 7 HD1 HIS 7 22.942 28.938 26.110 52 HD2 HIS 7 HD2 HIS 7 19.556 27.568 24.121 53 HE1 HIS 7 HE1 HIS 7 23.560 28.858 23.681 54 HE2 HIS 7 HE2 HIS 7 21.546 27.905 22.528 55 H HIS 8 H HIS 8 17.953 29.592 24.970 56 HA HIS 8 HA HIS 8 15.921 27.432 25.130 57 HB2 HIS 8 2HB HIS 8 15.417 30.303 24.214 58 HB3 HIS 8 3HB HIS 8 14.229 29.007 24.244 59 HD1 HIS 8 HD1 HIS 8 13.400 28.222 26.636 60 HD2 HIS 8 HD2 HIS 8 15.791 31.632 26.644 61 HE1 HIS 8 HE1 HIS 8 13.100 29.262 28.902 62 HE2 HIS 8 HE2 HIS 8 14.441 31.387 28.827 63 H SER 9 H SER 9 15.564 26.337 23.231 64 HA SER 9 HA SER 9 16.187 27.346 20.625 65 HB2 SER 9 2HB SER 9 18.506 26.824 21.520 66 HB3 SER 9 3HB SER 9 18.032 25.132 21.645 67 HG SER 9 HG SER 9 18.045 26.690 19.266 68 H HIS 10 H HIS 10 14.688 26.407 19.342 69 HA HIS 10 HA HIS 10 14.314 23.550 19.269 70 HB2 HIS 10 2HB HIS 10 11.880 23.507 19.605 71 HB3 HIS 10 3HB HIS 10 12.660 24.160 21.041 72 HD1 HIS 10 HD1 HIS 10 10.163 24.954 18.433 73 HD2 HIS 10 HD2 HIS 10 12.241 26.995 21.390 74 HE1 HIS 10 HE1 HIS 10 8.945 27.125 18.734 75 HE2 HIS 10 HE2 HIS 10 10.310 28.394 20.425 76 H MET 11 H MET 11 13.802 22.891 17.234 77 HA MET 11 HA MET 11 12.491 24.613 15.293 78 HB2 MET 11 2HB MET 11 14.910 25.283 15.080 79 HB3 MET 11 3HB MET 11 15.339 23.612 14.747 80 HG2 MET 11 2HG MET 11 13.850 23.727 12.703 81 HG3 MET 11 3HG MET 11 13.657 25.448 13.019 82 HE1 MET 11 3HE MET 11 17.598 23.398 11.743 83 HE2 MET 11 1HE MET 11 16.035 22.588 11.844 84 HE3 MET 11 2HE MET 11 16.868 23.088 13.318 85 H ASN 12 H ASN 12 10.894 23.143 14.959 86 HA ASN 12 HA ASN 12 11.503 20.551 13.745 87 HB2 ASN 12 2HB ASN 12 11.532 20.046 16.183 88 HB3 ASN 12 3HB ASN 12 9.942 20.770 16.376 89 HD21 ASN 12 1HD2 ASN 12 8.119 19.634 15.613 90 HD22 ASN 12 2HD2 ASN 12 8.182 17.947 15.246 91 H SER 13 H SER 13 10.202 20.515 12.012 92 HA SER 13 HA SER 13 7.364 21.282 12.247 93 HB2 SER 13 2HB SER 13 9.204 22.257 10.008 94 HB3 SER 13 3HB SER 13 7.463 22.533 10.114 95 HG SER 13 HG SER 13 7.815 23.755 11.979 96 H GLN 14 H GLN 14 6.822 19.122 12.192 97 HA GLN 14 HA GLN 14 7.529 17.435 9.910 98 HB2 GLN 14 2HB GLN 14 5.795 16.928 12.372 99 HB3 GLN 14 3HB GLN 14 6.048 15.742 11.097 100 HG2 GLN 14 2HG GLN 14 8.222 16.922 12.850 101 HG3 GLN 14 3HG GLN 14 7.497 15.327 13.051 102 HE21 GLN 14 1HE2 GLN 14 10.289 15.961 12.617 103 HE22 GLN 14 2HE2 GLN 14 10.769 15.178 11.155 104 H ARG 15 H ARG 15 6.407 17.587 8.087 105 HA ARG 15 HA ARG 15 3.563 18.369 8.090 106 HB2 ARG 15 2HB ARG 15 5.699 18.467 5.930 107 HB3 ARG 15 3HB ARG 15 3.995 18.487 5.498 108 HG2 ARG 15 2HG ARG 15 5.295 20.526 7.332 109 HG3 ARG 15 3HG ARG 15 5.082 20.745 5.594 110 HD2 ARG 15 2HD ARG 15 3.280 21.903 6.698 111 HD3 ARG 15 3HD ARG 15 2.598 20.470 5.926 112 HE ARG 15 HE ARG 15 3.316 20.349 8.781 113 HH11 ARG 15 1HH1 ARG 15 0.720 20.406 6.373 114 HH12 ARG 15 2HH1 ARG 15 -0.491 19.903 7.509 115 HH21 ARG 15 1HH2 ARG 15 1.717 19.682 10.218 116 HH22 ARG 15 2HH2 ARG 15 0.078 19.493 9.684 117 H LEU 16 H LEU 16 2.169 16.819 7.968 118 HA LEU 16 HA LEU 16 2.787 14.291 6.585 119 HB2 LEU 16 2HB LEU 16 1.431 13.049 8.155 120 HB3 LEU 16 3HB LEU 16 2.673 13.906 9.043 121 HG LEU 16 HG LEU 16 -0.221 14.854 8.886 122 HD11 LEU 16 1HD1 LEU 16 -0.157 12.662 9.959 123 HD12 LEU 16 2HD1 LEU 16 -0.536 13.924 11.127 124 HD13 LEU 16 3HD1 LEU 16 1.085 13.225 11.083 125 HD21 LEU 16 3HD2 LEU 16 0.339 16.235 10.850 126 HD22 LEU 16 1HD2 LEU 16 1.355 16.649 9.473 127 HD23 LEU 16 2HD2 LEU 16 2.011 15.670 10.783 128 H ILE 17 H ILE 17 1.517 13.969 4.927 129 HA ILE 17 HA ILE 17 -0.792 15.549 4.285 130 HB ILE 17 HB ILE 17 0.452 13.066 3.008 131 HG12 ILE 17 2HG1 ILE 17 0.423 16.005 2.178 132 HG13 ILE 17 3HG1 ILE 17 1.791 15.145 2.867 133 HG21 ILE 17 1HG2 ILE 17 -1.024 13.408 1.049 134 HG22 ILE 17 2HG2 ILE 17 -1.886 14.678 1.917 135 HG23 ILE 17 3HG2 ILE 17 -1.954 13.013 2.496 136 HD11 ILE 17 3HD1 ILE 17 2.108 15.444 0.525 137 HD12 ILE 17 1HD1 ILE 17 0.554 14.695 0.160 138 HD13 ILE 17 2HD1 ILE 17 1.865 13.729 0.848 139 H HIS 18 H HIS 18 -2.955 14.946 4.550 140 HA HIS 18 HA HIS 18 -3.441 13.333 6.847 141 HB2 HIS 18 2HB HIS 18 -5.356 14.745 4.957 142 HB3 HIS 18 3HB HIS 18 -5.861 13.929 6.438 143 HD1 HIS 18 HD1 HIS 18 -4.378 17.091 5.190 144 HD2 HIS 18 HD2 HIS 18 -4.933 15.216 8.849 145 HE1 HIS 18 HE1 HIS 18 -3.948 18.851 6.924 146 HE2 HIS 18 HE2 HIS 18 -4.153 17.650 9.122 147 H ILE 19 H ILE 19 -3.363 11.235 6.783 148 HA ILE 19 HA ILE 19 -4.471 9.684 4.527 149 HB ILE 19 HB ILE 19 -2.013 8.974 6.211 150 HG12 ILE 19 2HG1 ILE 19 -1.417 10.674 4.530 151 HG13 ILE 19 3HG1 ILE 19 -0.717 9.131 4.072 152 HG21 ILE 19 1HG2 ILE 19 -1.800 6.988 4.737 153 HG22 ILE 19 2HG2 ILE 19 -3.330 7.409 3.963 154 HG23 ILE 19 3HG2 ILE 19 -3.299 6.965 5.672 155 HD11 ILE 19 3HD1 ILE 19 -1.573 10.335 2.154 156 HD12 ILE 19 1HD1 ILE 19 -3.185 10.386 2.865 157 HD13 ILE 19 2HD1 ILE 19 -2.478 8.838 2.387 158 H LYS 20 H LYS 20 -6.277 8.755 5.283 159 HA LYS 20 HA LYS 20 -6.722 8.451 8.158 160 HB2 LYS 20 2HB LYS 20 -8.364 9.731 6.805 161 HB3 LYS 20 3HB LYS 20 -8.632 8.326 5.775 162 HG2 LYS 20 2HG LYS 20 -9.576 7.090 7.678 163 HG3 LYS 20 3HG LYS 20 -9.262 8.458 8.747 164 HD2 LYS 20 2HD LYS 20 -11.147 8.479 6.353 165 HD3 LYS 20 3HD LYS 20 -11.642 8.350 8.041 166 HE2 LYS 20 2HE LYS 20 -10.595 10.609 8.448 167 HE3 LYS 20 3HE LYS 20 -10.298 10.729 6.713 168 HZ1 LYS 20 3HZ LYS 20 -12.316 11.876 7.261 169 HZ2 LYS 20 1HZ LYS 20 -12.951 10.515 8.039 170 HZ3 LYS 20 2HZ LYS 20 -12.714 10.500 6.369 171 H THR 21 H THR 21 -6.481 6.470 9.029 172 HA THR 21 HA THR 21 -6.232 4.126 7.262 173 HB THR 21 HB THR 21 -4.351 4.459 8.796 174 HG1 THR 21 HG1 THR 21 -5.303 2.284 8.271 175 HG21 THR 21 3HG2 THR 21 -6.302 4.066 11.098 176 HG22 THR 21 1HG2 THR 21 -5.450 5.565 10.713 177 HG23 THR 21 2HG2 THR 21 -4.546 4.145 11.235 178 H LEU 22 H LEU 22 -7.864 2.796 7.049 179 HA LEU 22 HA LEU 22 -10.122 2.760 8.962 180 HB2 LEU 22 2HB LEU 22 -10.243 2.822 5.911 181 HB3 LEU 22 3HB LEU 22 -11.632 2.513 6.943 182 HG LEU 22 HG LEU 22 -10.038 5.111 6.920 183 HD11 LEU 22 1HD1 LEU 22 -12.757 4.536 5.708 184 HD12 LEU 22 2HD1 LEU 22 -11.256 4.806 4.818 185 HD13 LEU 22 3HD1 LEU 22 -11.954 6.110 5.777 186 HD21 LEU 22 3HD2 LEU 22 -12.625 4.411 8.358 187 HD22 LEU 22 1HD2 LEU 22 -11.894 6.018 8.281 188 HD23 LEU 22 2HD2 LEU 22 -11.056 4.708 9.108 189 H THR 23 H THR 23 -10.993 0.772 9.355 190 HA THR 23 HA THR 23 -9.470 -1.569 8.537 191 HB THR 23 HB THR 23 -11.179 -2.793 10.040 192 HG1 THR 23 HG1 THR 23 -12.712 -0.920 9.898 193 HG21 THR 23 3HG2 THR 23 -9.520 -0.594 11.328 194 HG22 THR 23 1HG2 THR 23 -8.927 -2.193 10.851 195 HG23 THR 23 2HG2 THR 23 -10.131 -2.042 12.130 196 H THR 24 H THR 24 -10.415 -3.443 7.593 197 HA THR 24 HA THR 24 -12.659 -2.910 5.711 198 HB THR 24 HB THR 24 -11.513 -4.447 4.136 199 HG1 THR 24 HG1 THR 24 -9.455 -4.614 6.101 200 HG21 THR 24 3HG2 THR 24 -10.824 -2.071 3.995 201 HG22 THR 24 1HG2 THR 24 -9.476 -3.143 3.603 202 HG23 THR 24 2HG2 THR 24 -9.556 -2.368 5.186 203 HA PRO 25 HA PRO 25 -14.644 -6.767 7.302 204 HB2 PRO 25 2HB PRO 25 -14.661 -7.841 4.486 205 HB3 PRO 25 3HB PRO 25 -16.006 -7.663 5.634 206 HG2 PRO 25 2HG PRO 25 -15.776 -5.998 3.572 207 HG3 PRO 25 3HG PRO 25 -16.298 -5.400 5.165 208 HD2 PRO 25 2HD PRO 25 -13.598 -5.154 3.847 209 HD3 PRO 25 3HD PRO 25 -14.497 -3.959 4.811 210 H ASN 26 H ASN 26 -11.701 -6.793 5.528 211 HA ASN 26 HA ASN 26 -10.989 -9.562 6.181 212 HB2 ASN 26 2HB ASN 26 -9.495 -7.391 4.643 213 HB3 ASN 26 3HB ASN 26 -8.920 -9.041 4.864 214 HD21 ASN 26 1HD2 ASN 26 -9.534 -7.585 2.382 215 HD22 ASN 26 2HD2 ASN 26 -10.713 -8.540 1.557 216 H GLU 27 H GLU 27 -9.197 -10.078 7.478 217 HA GLU 27 HA GLU 27 -8.466 -8.190 9.583 218 HB2 GLU 27 2HB GLU 27 -7.090 -10.140 10.473 219 HB3 GLU 27 3HB GLU 27 -8.817 -10.445 10.356 220 HG2 GLU 27 2HG GLU 27 -8.539 -11.841 8.430 221 HG3 GLU 27 3HG GLU 27 -6.864 -11.345 8.223 222 H ASN 28 H ASN 28 -6.892 -9.872 6.880 223 HA ASN 28 HA ASN 28 -4.294 -8.598 7.397 224 HB2 ASN 28 2HB ASN 28 -5.079 -10.720 5.345 225 HB3 ASN 28 3HB ASN 28 -3.438 -10.190 5.700 226 HD21 ASN 28 1HD2 ASN 28 -3.942 -10.102 8.653 227 HD22 ASN 28 2HD2 ASN 28 -3.999 -11.756 9.144 228 H ALA 29 H ALA 29 -6.655 -7.097 6.373 229 HA ALA 29 HA ALA 29 -5.158 -5.665 4.278 230 HB1 ALA 29 3HB ALA 29 -8.158 -6.208 4.129 231 HB2 ALA 29 1HB ALA 29 -6.925 -6.927 3.089 232 HB3 ALA 29 2HB ALA 29 -7.229 -5.192 3.022 233 H LEU 30 H LEU 30 -4.886 -3.600 4.892 234 HA LEU 30 HA LEU 30 -6.936 -2.276 6.576 235 HB2 LEU 30 2HB LEU 30 -4.901 -2.840 7.931 236 HB3 LEU 30 3HB LEU 30 -3.922 -1.904 6.820 237 HG LEU 30 HG LEU 30 -5.195 0.169 7.518 238 HD11 LEU 30 1HD1 LEU 30 -6.407 -1.629 9.642 239 HD12 LEU 30 2HD1 LEU 30 -7.273 -0.889 8.292 240 HD13 LEU 30 3HD1 LEU 30 -6.565 0.129 9.544 241 HD21 LEU 30 3HD2 LEU 30 -3.010 -0.373 8.505 242 HD22 LEU 30 1HD2 LEU 30 -3.801 -1.322 9.768 243 HD23 LEU 30 2HD2 LEU 30 -4.055 0.425 9.679 244 H LYS 31 H LYS 31 -7.683 -0.533 5.660 245 HA LYS 31 HA LYS 31 -6.726 0.371 3.095 246 HB2 LYS 31 2HB LYS 31 -9.121 0.005 3.534 247 HB3 LYS 31 3HB LYS 31 -9.093 1.214 4.811 248 HG2 LYS 31 2HG LYS 31 -8.632 2.975 3.139 249 HG3 LYS 31 3HG LYS 31 -8.641 1.756 1.853 250 HD2 LYS 31 2HD LYS 31 -11.009 1.181 2.512 251 HD3 LYS 31 3HD LYS 31 -10.974 2.528 3.652 252 HE2 LYS 31 2HE LYS 31 -10.733 4.114 1.834 253 HE3 LYS 31 3HE LYS 31 -10.566 2.804 0.663 254 HZ1 LYS 31 3HZ LYS 31 -12.800 3.705 0.647 255 HZ2 LYS 31 1HZ LYS 31 -12.986 3.358 2.293 256 HZ3 LYS 31 2HZ LYS 31 -12.815 2.099 1.178 257 H PHE 32 H PHE 32 -5.521 2.127 2.748 258 HA PHE 32 HA PHE 32 -5.343 4.290 4.765 259 HB2 PHE 32 2HB PHE 32 -3.293 3.366 2.687 260 HB3 PHE 32 3HB PHE 32 -3.119 4.815 3.675 261 HD1 PHE 32 HD2 PHE 32 -3.194 1.094 3.781 262 HD2 PHE 32 HD1 PHE 32 -2.447 4.676 6.014 263 HE1 PHE 32 HE2 PHE 32 -2.163 -0.233 5.578 264 HE2 PHE 32 HE1 PHE 32 -1.420 3.333 7.805 265 HZ PHE 32 HZ PHE 32 -1.276 0.883 7.589 266 H LEU 33 H LEU 33 -6.217 6.174 4.137 267 HA LEU 33 HA LEU 33 -7.174 6.454 1.337 268 HB2 LEU 33 2HB LEU 33 -8.936 5.873 2.973 269 HB3 LEU 33 3HB LEU 33 -8.507 7.260 3.958 270 HG LEU 33 HG LEU 33 -9.269 8.778 2.108 271 HD11 LEU 33 1HD1 LEU 33 -8.884 7.305 0.191 272 HD12 LEU 33 2HD1 LEU 33 -10.551 7.875 0.219 273 HD13 LEU 33 3HD1 LEU 33 -10.176 6.230 0.737 274 HD21 LEU 33 3HD2 LEU 33 -11.360 6.781 3.041 275 HD22 LEU 33 1HD2 LEU 33 -11.683 8.402 2.415 276 HD23 LEU 33 2HD2 LEU 33 -10.808 8.202 3.932 277 H SER 34 H SER 34 -6.645 8.299 0.285 278 HA SER 34 HA SER 34 -5.265 10.489 1.692 279 HB2 SER 34 2HB SER 34 -4.914 11.303 -0.730 280 HB3 SER 34 3HB SER 34 -4.155 9.765 -0.323 281 HG SER 34 HG SER 34 -5.196 9.506 -2.264 282 H THR 35 H THR 35 -6.346 12.362 2.232 283 HA THR 35 HA THR 35 -9.247 12.381 1.582 284 HB THR 35 HB THR 35 -9.535 13.480 3.836 285 HG1 THR 35 HG1 THR 35 -6.746 12.906 4.011 286 HG21 THR 35 3HG2 THR 35 -9.838 11.031 3.628 287 HG22 THR 35 1HG2 THR 35 -9.116 11.442 5.186 288 HG23 THR 35 2HG2 THR 35 -8.109 10.788 3.892 289 H ASP 36 H ASP 36 -6.378 14.435 1.550 290 HA ASP 36 HA ASP 36 -7.802 16.944 1.633 291 HB2 ASP 36 2HB ASP 36 -4.968 16.446 0.627 292 HB3 ASP 36 3HB ASP 36 -5.652 18.002 1.079 293 H GLY 37 H GLY 37 -6.507 14.887 -0.936 294 HA2 GLY 37 2HA GLY 37 -8.413 15.196 -2.819 295 HA3 GLY 37 3HA GLY 37 -7.428 16.629 -3.087 296 H GLU 38 H GLU 38 -5.429 14.130 -2.020 297 HA GLU 38 HA GLU 38 -4.133 14.097 -4.605 298 HB2 GLU 38 2HB GLU 38 -3.312 12.702 -2.020 299 HB3 GLU 38 3HB GLU 38 -2.324 12.871 -3.461 300 HG2 GLU 38 2HG GLU 38 -1.536 14.436 -1.838 301 HG3 GLU 38 3HG GLU 38 -2.320 15.339 -3.132 302 H MET 39 H MET 39 -5.635 12.905 -5.875 303 HA MET 39 HA MET 39 -6.379 10.208 -5.148 304 HB2 MET 39 2HB MET 39 -6.785 11.690 -7.780 305 HB3 MET 39 3HB MET 39 -7.446 10.104 -7.400 306 HG2 MET 39 2HG MET 39 -8.700 11.149 -5.492 307 HG3 MET 39 3HG MET 39 -8.137 12.725 -6.046 308 HE1 MET 39 3HE MET 39 -9.249 9.609 -8.251 309 HE2 MET 39 1HE MET 39 -10.960 9.976 -8.457 310 HE3 MET 39 2HE MET 39 -10.333 9.581 -6.857 311 H LEU 40 H LEU 40 -5.335 8.444 -5.531 312 HA LEU 40 HA LEU 40 -2.669 8.312 -6.467 313 HB2 LEU 40 2HB LEU 40 -4.726 6.163 -5.839 314 HB3 LEU 40 3HB LEU 40 -3.022 5.841 -6.102 315 HG LEU 40 HG LEU 40 -4.113 7.562 -3.841 316 HD11 LEU 40 1HD1 LEU 40 -4.778 5.257 -3.545 317 HD12 LEU 40 2HD1 LEU 40 -3.508 5.659 -2.392 318 HD13 LEU 40 3HD1 LEU 40 -3.128 4.698 -3.829 319 HD21 LEU 40 3HD2 LEU 40 -1.835 7.418 -2.911 320 HD22 LEU 40 1HD2 LEU 40 -1.833 8.218 -4.483 321 HD23 LEU 40 2HD2 LEU 40 -1.292 6.543 -4.345 322 H GLN 41 H GLN 41 -5.730 7.669 -7.940 323 HA GLN 41 HA GLN 41 -4.606 7.170 -10.584 324 HB2 GLN 41 2HB GLN 41 -4.749 4.940 -9.404 325 HB3 GLN 41 3HB GLN 41 -6.474 5.193 -9.182 326 HG2 GLN 41 2HG GLN 41 -6.848 5.074 -11.582 327 HG3 GLN 41 3HG GLN 41 -5.109 4.993 -11.880 328 HE21 GLN 41 1HE2 GLN 41 -7.899 3.215 -10.682 329 HE22 GLN 41 2HE2 GLN 41 -7.156 1.653 -10.729 330 H THR 42 H THR 42 -6.328 7.433 -12.244 331 HA THR 42 HA THR 42 -8.056 9.620 -11.489 332 HB THR 42 HB THR 42 -6.955 9.883 -13.601 333 HG1 THR 42 HG1 THR 42 -9.101 10.662 -13.490 334 HG21 THR 42 3HG2 THR 42 -7.310 8.423 -15.568 335 HG22 THR 42 1HG2 THR 42 -8.267 7.317 -14.570 336 HG23 THR 42 2HG2 THR 42 -6.552 7.543 -14.242 337 H ARG 43 H ARG 43 -10.145 9.559 -11.034 338 HA ARG 43 HA ARG 43 -11.670 7.360 -10.371 339 HB2 ARG 43 2HB ARG 43 -12.065 9.759 -9.709 340 HB3 ARG 43 3HB ARG 43 -12.686 10.077 -11.316 341 HG2 ARG 43 2HG ARG 43 -14.683 9.797 -10.234 342 HG3 ARG 43 3HG ARG 43 -14.392 8.108 -10.639 343 HD2 ARG 43 2HD ARG 43 -13.578 9.348 -7.993 344 HD3 ARG 43 3HD ARG 43 -15.148 8.594 -8.258 345 HE ARG 43 HE ARG 43 -13.115 6.755 -8.951 346 HH11 ARG 43 1HH1 ARG 43 -14.468 8.297 -6.079 347 HH12 ARG 43 2HH1 ARG 43 -14.065 6.973 -5.031 348 HH21 ARG 43 1HH2 ARG 43 -12.690 4.981 -7.555 349 HH22 ARG 43 2HH2 ARG 43 -13.063 5.103 -5.865 350 H GLY 44 H GLY 44 -11.851 5.732 -11.892 351 HA2 GLY 44 2HA GLY 44 -13.803 5.242 -13.571 352 HA3 GLY 44 3HA GLY 44 -12.853 6.293 -14.614 353 H SER 45 H SER 45 -10.362 5.199 -13.239 354 HA SER 45 HA SER 45 -9.958 2.843 -14.911 355 HB2 SER 45 2HB SER 45 -8.077 4.336 -13.017 356 HB3 SER 45 3HB SER 45 -7.598 3.010 -14.081 357 HG SER 45 HG SER 45 -7.274 5.253 -14.842 358 H LYS 46 H LYS 46 -10.195 0.797 -14.165 359 HA LYS 46 HA LYS 46 -11.271 0.212 -11.628 360 HB2 LYS 46 2HB LYS 46 -11.021 -2.181 -12.277 361 HB3 LYS 46 3HB LYS 46 -11.779 -1.203 -13.530 362 HG2 LYS 46 2HG LYS 46 -9.640 -1.110 -14.765 363 HG3 LYS 46 3HG LYS 46 -8.878 -2.098 -13.511 364 HD2 LYS 46 2HD LYS 46 -10.418 -3.960 -14.025 365 HD3 LYS 46 3HD LYS 46 -11.219 -2.973 -15.254 366 HE2 LYS 46 2HE LYS 46 -8.314 -3.862 -15.316 367 HE3 LYS 46 3HE LYS 46 -9.625 -4.562 -16.265 368 HZ1 LYS 46 3HZ LYS 46 -9.920 -2.396 -17.334 369 HZ2 LYS 46 1HZ LYS 46 -8.373 -3.018 -17.586 370 HZ3 LYS 46 2HZ LYS 46 -8.611 -1.778 -16.466 371 H SER 47 H SER 47 -10.431 -0.907 -9.834 372 HA SER 47 HA SER 47 -7.957 0.053 -8.908 373 HB2 SER 47 2HB SER 47 -9.772 -2.087 -7.725 374 HB3 SER 47 3HB SER 47 -8.449 -1.296 -6.863 375 HG SER 47 HG SER 47 -9.840 0.669 -7.803 376 H ILE 48 H ILE 48 -5.995 -0.651 -9.414 377 HA ILE 48 HA ILE 48 -5.565 -3.197 -10.736 378 HB ILE 48 HB ILE 48 -3.606 -0.958 -10.051 379 HG12 ILE 48 2HG1 ILE 48 -5.002 -1.648 -12.679 380 HG13 ILE 48 3HG1 ILE 48 -5.348 -0.255 -11.666 381 HG21 ILE 48 1HG2 ILE 48 -3.163 -3.381 -11.836 382 HG22 ILE 48 2HG2 ILE 48 -2.397 -3.092 -10.273 383 HG23 ILE 48 3HG2 ILE 48 -2.037 -2.037 -11.638 384 HD11 ILE 48 3HD1 ILE 48 -2.791 -0.756 -13.188 385 HD12 ILE 48 1HD1 ILE 48 -3.102 0.627 -12.133 386 HD13 ILE 48 2HD1 ILE 48 -4.063 0.393 -13.591 387 H VAL 49 H VAL 49 -5.129 -5.028 -9.636 388 HA VAL 49 HA VAL 49 -4.206 -4.914 -6.847 389 HB VAL 49 HB VAL 49 -5.205 -7.305 -8.469 390 HG11 VAL 49 1HG1 VAL 49 -4.640 -7.105 -5.485 391 HG12 VAL 49 2HG1 VAL 49 -3.686 -8.014 -6.660 392 HG13 VAL 49 3HG1 VAL 49 -5.346 -8.500 -6.308 393 HG21 VAL 49 3HG2 VAL 49 -6.999 -5.654 -8.098 394 HG22 VAL 49 1HG2 VAL 49 -6.667 -5.664 -6.363 395 HG23 VAL 49 2HG2 VAL 49 -7.290 -7.115 -7.152 396 H ILE 50 H ILE 50 -2.044 -4.834 -6.635 397 HA ILE 50 HA ILE 50 -0.250 -6.151 -8.580 398 HB ILE 50 HB ILE 50 0.333 -4.128 -6.357 399 HG12 ILE 50 2HG1 ILE 50 0.346 -3.768 -9.390 400 HG13 ILE 50 3HG1 ILE 50 -0.879 -3.141 -8.293 401 HG21 ILE 50 1HG2 ILE 50 2.268 -5.309 -8.387 402 HG22 ILE 50 2HG2 ILE 50 2.266 -5.617 -6.650 403 HG23 ILE 50 3HG2 ILE 50 2.642 -4.005 -7.258 404 HD11 ILE 50 3HD1 ILE 50 2.018 -2.301 -8.410 405 HD12 ILE 50 1HD1 ILE 50 0.827 -1.703 -7.250 406 HD13 ILE 50 2HD1 ILE 50 0.616 -1.391 -8.970 407 H LYS 51 H LYS 51 0.159 -8.236 -8.003 408 HA LYS 51 HA LYS 51 0.141 -9.066 -5.180 409 HB2 LYS 51 2HB LYS 51 0.302 -10.677 -7.764 410 HB3 LYS 51 3HB LYS 51 0.206 -11.375 -6.147 411 HG2 LYS 51 2HG LYS 51 -2.002 -10.268 -5.820 412 HG3 LYS 51 3HG LYS 51 -1.917 -9.635 -7.461 413 HD2 LYS 51 2HD LYS 51 -1.929 -12.604 -6.784 414 HD3 LYS 51 3HD LYS 51 -3.382 -11.682 -7.154 415 HE2 LYS 51 2HE LYS 51 -2.790 -12.815 -9.159 416 HE3 LYS 51 3HE LYS 51 -2.318 -11.138 -9.412 417 HZ1 LYS 51 3HZ LYS 51 -0.063 -11.686 -9.127 418 HZ2 LYS 51 1HZ LYS 51 -0.696 -12.887 -10.137 419 HZ3 LYS 51 2HZ LYS 51 -0.416 -13.217 -8.499 420 H ASN 52 H ASN 52 1.886 -10.550 -4.421 421 HA ASN 52 HA ASN 52 4.374 -9.228 -4.602 422 HB2 ASN 52 2HB ASN 52 5.218 -11.023 -3.060 423 HB3 ASN 52 3HB ASN 52 3.739 -10.237 -2.523 424 HD21 ASN 52 1HD2 ASN 52 3.122 -11.913 -1.190 425 HD22 ASN 52 2HD2 ASN 52 2.574 -13.442 -1.779 426 H THR 53 H THR 53 3.206 -12.021 -6.361 427 HA THR 53 HA THR 53 5.842 -12.733 -7.379 428 HB THR 53 HB THR 53 4.625 -14.374 -8.809 429 HG1 THR 53 HG1 THR 53 2.691 -13.365 -9.218 430 HG21 THR 53 3HG2 THR 53 3.683 -14.452 -5.914 431 HG22 THR 53 1HG2 THR 53 5.243 -15.051 -6.498 432 HG23 THR 53 2HG2 THR 53 3.746 -15.822 -7.023 433 H ASP 54 H ASP 54 3.541 -10.357 -8.121 434 HA ASP 54 HA ASP 54 3.956 -10.289 -11.001 435 HB2 ASP 54 2HB ASP 54 2.439 -8.380 -9.167 436 HB3 ASP 54 3HB ASP 54 2.472 -8.268 -10.926 437 H GLU 55 H GLU 55 6.293 -10.219 -10.484 438 HA GLU 55 HA GLU 55 7.829 -8.164 -9.585 439 HB2 GLU 55 2HB GLU 55 8.630 -10.364 -10.461 440 HB3 GLU 55 3HB GLU 55 8.271 -9.836 -12.099 441 HG2 GLU 55 2HG GLU 55 10.645 -9.675 -11.736 442 HG3 GLU 55 3HG GLU 55 9.993 -8.040 -11.862 443 H ASN 56 H ASN 56 6.200 -8.414 -12.699 444 HA ASN 56 HA ASN 56 7.223 -6.178 -14.049 445 HB2 ASN 56 2HB ASN 56 5.944 -8.066 -15.080 446 HB3 ASN 56 3HB ASN 56 4.479 -7.504 -14.296 447 HD21 ASN 56 1HD2 ASN 56 5.406 -7.845 -17.176 448 HD22 ASN 56 2HD2 ASN 56 4.972 -6.349 -17.928 449 H LEU 57 H LEU 57 4.323 -6.512 -11.982 450 HA LEU 57 HA LEU 57 3.464 -3.786 -12.387 451 HB2 LEU 57 2HB LEU 57 2.481 -5.882 -10.416 452 HB3 LEU 57 3HB LEU 57 1.715 -4.326 -10.692 453 HG LEU 57 HG LEU 57 1.905 -6.631 -12.670 454 HD11 LEU 57 1HD1 LEU 57 0.205 -6.940 -10.939 455 HD12 LEU 57 2HD1 LEU 57 -0.549 -6.660 -12.506 456 HD13 LEU 57 3HD1 LEU 57 -0.495 -5.360 -11.310 457 HD21 LEU 57 3HD2 LEU 57 2.189 -4.551 -13.915 458 HD22 LEU 57 1HD2 LEU 57 0.770 -3.847 -13.132 459 HD23 LEU 57 2HD2 LEU 57 0.591 -5.221 -14.226 460 H ILE 58 H ILE 58 5.354 -5.492 -9.956 461 HA ILE 58 HA ILE 58 5.410 -3.450 -7.980 462 HB ILE 58 HB ILE 58 7.443 -5.669 -8.526 463 HG12 ILE 58 2HG1 ILE 58 5.216 -5.521 -6.432 464 HG13 ILE 58 3HG1 ILE 58 5.135 -6.464 -7.913 465 HG21 ILE 58 1HG2 ILE 58 7.194 -3.871 -6.079 466 HG22 ILE 58 2HG2 ILE 58 8.508 -3.846 -7.255 467 HG23 ILE 58 3HG2 ILE 58 8.281 -5.256 -6.221 468 HD11 ILE 58 3HD1 ILE 58 7.001 -7.845 -7.126 469 HD12 ILE 58 1HD1 ILE 58 5.629 -7.870 -6.019 470 HD13 ILE 58 2HD1 ILE 58 7.055 -6.907 -5.630 471 H ASN 59 H ASN 59 7.694 -4.277 -10.669 472 HA ASN 59 HA ASN 59 9.370 -2.012 -10.273 473 HB2 ASN 59 2HB ASN 59 9.053 -3.897 -12.631 474 HB3 ASN 59 3HB ASN 59 10.104 -2.488 -12.737 475 HD21 ASN 59 1HD2 ASN 59 9.850 -5.708 -11.631 476 HD22 ASN 59 2HD2 ASN 59 11.371 -5.792 -10.817 477 H HIS 60 H HIS 60 6.300 -2.331 -11.953 478 HA HIS 60 HA HIS 60 6.544 0.203 -13.327 479 HB2 HIS 60 2HB HIS 60 4.386 -1.890 -13.126 480 HB3 HIS 60 3HB HIS 60 3.883 -0.257 -13.536 481 HD1 HIS 60 HD1 HIS 60 5.709 -3.210 -14.947 482 HD2 HIS 60 HD2 HIS 60 4.737 0.670 -16.064 483 HE1 HIS 60 HE1 HIS 60 6.238 -3.052 -17.391 484 HE2 HIS 60 HE2 HIS 60 5.667 -0.694 -18.038 485 H SER 61 H SER 61 5.469 -0.772 -10.151 486 HA SER 61 HA SER 61 4.542 2.013 -9.624 487 HB2 SER 61 2HB SER 61 2.727 0.406 -9.259 488 HB3 SER 61 3HB SER 61 3.760 -0.589 -8.233 489 HG SER 61 HG SER 61 2.190 1.258 -7.414 490 H LYS 62 H LYS 62 6.239 3.110 -8.757 491 HA LYS 62 HA LYS 62 8.428 1.951 -7.399 492 HB2 LYS 62 2HB LYS 62 8.451 4.163 -8.623 493 HB3 LYS 62 3HB LYS 62 7.546 4.866 -7.287 494 HG2 LYS 62 2HG LYS 62 9.925 5.407 -7.096 495 HG3 LYS 62 3HG LYS 62 9.425 4.370 -5.752 496 HD2 LYS 62 2HD LYS 62 10.362 2.394 -7.001 497 HD3 LYS 62 3HD LYS 62 10.945 3.498 -8.249 498 HE2 LYS 62 2HE LYS 62 11.790 3.498 -5.333 499 HE3 LYS 62 3HE LYS 62 12.738 2.877 -6.682 500 HZ1 LYS 62 3HZ LYS 62 13.467 5.075 -6.042 501 HZ2 LYS 62 1HZ LYS 62 11.920 5.705 -6.291 502 HZ3 LYS 62 2HZ LYS 62 12.816 5.119 -7.598 503 H LEU 63 H LEU 63 5.391 3.322 -6.254 504 HA LEU 63 HA LEU 63 5.844 3.376 -3.481 505 HB2 LEU 63 2HB LEU 63 3.854 4.366 -4.556 506 HB3 LEU 63 3HB LEU 63 3.274 2.769 -4.985 507 HG LEU 63 HG LEU 63 3.050 2.246 -2.519 508 HD11 LEU 63 1HD1 LEU 63 3.055 4.064 -0.879 509 HD12 LEU 63 2HD1 LEU 63 3.641 5.189 -2.108 510 HD13 LEU 63 3HD1 LEU 63 4.649 3.833 -1.594 511 HD21 LEU 63 3HD2 LEU 63 1.427 4.618 -3.481 512 HD22 LEU 63 1HD2 LEU 63 0.986 3.522 -2.169 513 HD23 LEU 63 2HD2 LEU 63 1.091 2.920 -3.821 514 H ALA 64 H ALA 64 4.771 0.727 -5.637 515 HA ALA 64 HA ALA 64 4.241 -1.253 -3.719 516 HB1 ALA 64 3HB ALA 64 3.646 -1.490 -6.098 517 HB2 ALA 64 1HB ALA 64 4.584 -2.878 -5.539 518 HB3 ALA 64 2HB ALA 64 5.354 -1.628 -6.524 519 H GLN 65 H GLN 65 7.232 -0.424 -5.418 520 HA GLN 65 HA GLN 65 8.947 -2.407 -4.384 521 HB2 GLN 65 2HB GLN 65 9.670 0.421 -5.278 522 HB3 GLN 65 3HB GLN 65 10.788 -0.940 -5.156 523 HG2 GLN 65 2HG GLN 65 9.705 -2.096 -6.961 524 HG3 GLN 65 3HG GLN 65 8.366 -0.949 -6.973 525 HE21 GLN 65 1HE2 GLN 65 8.564 -0.268 -9.057 526 HE22 GLN 65 2HE2 GLN 65 9.937 0.581 -9.675 527 H GLN 66 H GLN 66 8.288 0.934 -3.251 528 HA GLN 66 HA GLN 66 9.965 1.020 -1.044 529 HB2 GLN 66 2HB GLN 66 7.309 2.400 -1.581 530 HB3 GLN 66 3HB GLN 66 8.332 2.797 -0.205 531 HG2 GLN 66 2HG GLN 66 9.179 3.050 -3.107 532 HG3 GLN 66 3HG GLN 66 8.566 4.373 -2.120 533 HE21 GLN 66 1HE2 GLN 66 11.275 2.241 -2.682 534 HE22 GLN 66 2HE2 GLN 66 12.411 3.109 -1.713 535 H ILE 67 H ILE 67 6.473 0.077 -1.102 536 HA ILE 67 HA ILE 67 6.253 -0.307 1.701 537 HB ILE 67 HB ILE 67 4.457 -1.467 -0.490 538 HG12 ILE 67 2HG1 ILE 67 4.148 1.156 1.055 539 HG13 ILE 67 3HG1 ILE 67 4.683 1.038 -0.615 540 HG21 ILE 67 1HG2 ILE 67 2.712 -1.611 1.220 541 HG22 ILE 67 2HG2 ILE 67 3.796 -0.927 2.431 542 HG23 ILE 67 3HG2 ILE 67 4.127 -2.517 1.754 543 HD11 ILE 67 3HD1 ILE 67 2.363 1.697 -0.479 544 HD12 ILE 67 1HD1 ILE 67 1.968 0.236 0.426 545 HD13 ILE 67 2HD1 ILE 67 2.510 0.119 -1.251 546 H PHE 68 H PHE 68 6.861 -2.606 -0.966 547 HA PHE 68 HA PHE 68 7.036 -4.968 0.599 548 HB2 PHE 68 2HB PHE 68 7.994 -4.234 -2.182 549 HB3 PHE 68 3HB PHE 68 8.523 -5.749 -1.463 550 HD1 PHE 68 HD1 PHE 68 6.775 -7.466 -0.773 551 HD2 PHE 68 HD2 PHE 68 5.782 -4.082 -3.193 552 HE1 PHE 68 HE1 PHE 68 4.725 -8.592 -1.534 553 HE2 PHE 68 HE2 PHE 68 3.734 -5.211 -3.937 554 HZ PHE 68 HZ PHE 68 3.204 -7.472 -3.114 555 H LEU 69 H LEU 69 9.404 -2.424 -0.124 556 HA LEU 69 HA LEU 69 11.725 -3.816 0.787 557 HB2 LEU 69 2HB LEU 69 11.874 -1.859 -0.689 558 HB3 LEU 69 3HB LEU 69 11.122 -0.849 0.531 559 HG LEU 69 HG LEU 69 13.146 -1.200 2.004 560 HD11 LEU 69 1HD1 LEU 69 13.971 -3.306 1.106 561 HD12 LEU 69 2HD1 LEU 69 15.220 -2.068 1.015 562 HD13 LEU 69 3HD1 LEU 69 14.340 -2.536 -0.441 563 HD21 LEU 69 3HD2 LEU 69 13.714 0.045 -0.704 564 HD22 LEU 69 1HD2 LEU 69 14.601 0.356 0.792 565 HD23 LEU 69 2HD2 LEU 69 12.910 0.835 0.657 566 H GLN 70 H GLN 70 9.602 -1.380 2.291 567 HA GLN 70 HA GLN 70 11.012 -1.261 4.769 568 HB2 GLN 70 2HB GLN 70 8.174 -0.308 4.173 569 HB3 GLN 70 3HB GLN 70 9.173 0.182 5.536 570 HG2 GLN 70 2HG GLN 70 9.754 0.807 2.622 571 HG3 GLN 70 3HG GLN 70 9.019 1.911 3.774 572 HE21 GLN 70 1HE2 GLN 70 10.586 3.482 3.617 573 HE22 GLN 70 2HE2 GLN 70 12.215 3.276 4.158 574 H CYS 71 H CYS 71 8.311 -3.184 3.562 575 HA CYS 71 HA CYS 71 8.454 -4.885 5.939 576 HB2 CYS 71 2HB CYS 71 5.846 -3.745 4.841 577 HB3 CYS 71 3HB CYS 71 5.975 -4.984 6.092 578 HG CYS 71 HG CYS 71 7.748 -2.829 7.437 579 HA PRO 72 HA PRO 72 8.570 -7.485 2.065 580 HB2 PRO 72 2HB PRO 72 9.808 -9.390 4.034 581 HB3 PRO 72 3HB PRO 72 10.373 -8.902 2.420 582 HG2 PRO 72 2HG PRO 72 11.611 -7.978 4.580 583 HG3 PRO 72 3HG PRO 72 11.313 -6.908 3.188 584 HD2 PRO 72 2HD PRO 72 9.778 -7.079 5.788 585 HD3 PRO 72 3HD PRO 72 10.345 -5.639 4.905 586 H GLY 73 H GLY 73 6.825 -7.666 4.950 587 HA2 GLY 73 2HA GLY 73 5.643 -10.299 4.544 588 HA3 GLY 73 3HA GLY 73 5.290 -9.166 5.835 589 H VAL 74 H VAL 74 5.169 -7.515 2.916 590 HA VAL 74 HA VAL 74 2.319 -7.282 2.839 591 HB VAL 74 HB VAL 74 4.390 -6.494 0.733 592 HG11 VAL 74 1HG1 VAL 74 2.654 -4.963 -0.155 593 HG12 VAL 74 2HG1 VAL 74 1.489 -5.614 1.001 594 HG13 VAL 74 3HG1 VAL 74 2.144 -6.651 -0.269 595 HG21 VAL 74 3HG2 VAL 74 4.326 -4.271 1.657 596 HG22 VAL 74 1HG2 VAL 74 4.680 -5.391 2.970 597 HG23 VAL 74 2HG2 VAL 74 3.059 -4.718 2.800 598 H GLU 75 H GLU 75 0.880 -8.618 1.875 599 HA GLU 75 HA GLU 75 1.802 -10.914 0.328 600 HB2 GLU 75 2HB GLU 75 -0.139 -10.654 2.240 601 HB3 GLU 75 3HB GLU 75 -1.136 -10.443 0.816 602 HG2 GLU 75 2HG GLU 75 0.636 -12.833 1.388 603 HG3 GLU 75 3HG GLU 75 -1.098 -12.765 1.668 604 H SER 76 H SER 76 -0.618 -8.302 -0.052 605 HA SER 76 HA SER 76 -0.038 -8.061 -2.910 606 HB2 SER 76 2HB SER 76 -2.849 -8.714 -1.898 607 HB3 SER 76 3HB SER 76 -2.454 -8.238 -3.550 608 HG SER 76 HG SER 76 -0.871 -10.225 -3.071 609 H LEU 77 H LEU 77 -1.257 -6.231 -3.876 610 HA LEU 77 HA LEU 77 -1.946 -4.042 -1.985 611 HB2 LEU 77 2HB LEU 77 -0.509 -3.781 -4.674 612 HB3 LEU 77 3HB LEU 77 -0.920 -2.460 -3.590 613 HG LEU 77 HG LEU 77 1.103 -4.657 -2.998 614 HD11 LEU 77 1HD1 LEU 77 2.804 -2.922 -3.242 615 HD12 LEU 77 2HD1 LEU 77 1.568 -1.745 -3.695 616 HD13 LEU 77 3HD1 LEU 77 1.894 -3.133 -4.736 617 HD21 LEU 77 3HD2 LEU 77 0.411 -2.188 -1.379 618 HD22 LEU 77 1HD2 LEU 77 1.721 -3.320 -1.036 619 HD23 LEU 77 2HD2 LEU 77 0.047 -3.860 -0.944 620 H MET 78 H MET 78 -3.749 -2.788 -2.617 621 HA MET 78 HA MET 78 -4.922 -3.273 -5.292 622 HB2 MET 78 2HB MET 78 -6.405 -4.237 -3.570 623 HB3 MET 78 3HB MET 78 -6.397 -2.724 -2.675 624 HG2 MET 78 2HG MET 78 -7.566 -1.605 -4.528 625 HG3 MET 78 3HG MET 78 -7.539 -3.100 -5.460 626 HE1 MET 78 3HE MET 78 -8.943 -5.272 -4.809 627 HE2 MET 78 1HE MET 78 -9.960 -5.383 -3.376 628 HE3 MET 78 2HE MET 78 -8.206 -5.308 -3.206 629 H ILE 79 H ILE 79 -4.501 -1.532 -6.441 630 HA ILE 79 HA ILE 79 -4.058 1.095 -5.255 631 HB ILE 79 HB ILE 79 -3.763 0.081 -8.127 632 HG12 ILE 79 2HG1 ILE 79 -2.063 -0.880 -6.578 633 HG13 ILE 79 3HG1 ILE 79 -1.335 0.165 -7.787 634 HG21 ILE 79 1HG2 ILE 79 -2.565 2.218 -8.599 635 HG22 ILE 79 2HG2 ILE 79 -3.041 2.812 -7.004 636 HG23 ILE 79 3HG2 ILE 79 -4.273 2.448 -8.218 637 HD11 ILE 79 3HD1 ILE 79 -1.121 1.940 -6.094 638 HD12 ILE 79 1HD1 ILE 79 -0.280 0.456 -5.647 639 HD13 ILE 79 2HD1 ILE 79 -1.822 0.850 -4.894 640 H GLY 80 H GLY 80 -5.986 2.058 -4.807 641 HA2 GLY 80 2HA GLY 80 -8.259 1.857 -6.666 642 HA3 GLY 80 3HA GLY 80 -8.264 2.575 -5.056 643 H ASP 81 H ASP 81 -9.490 4.015 -6.860 644 HA ASP 81 HA ASP 81 -7.884 5.845 -8.342 645 HB2 ASP 81 2HB ASP 81 -10.722 6.395 -7.370 646 HB3 ASP 81 3HB ASP 81 -9.910 7.083 -8.774 647 H ASP 82 H ASP 82 -9.822 6.294 -5.421 648 HA ASP 82 HA ASP 82 -8.199 8.624 -4.620 649 HB2 ASP 82 2HB ASP 82 -10.263 9.588 -4.453 650 HB3 ASP 82 3HB ASP 82 -11.076 8.058 -4.709 651 H PHE 83 H PHE 83 -8.731 5.344 -3.897 652 HA PHE 83 HA PHE 83 -7.885 5.629 -1.071 653 HB2 PHE 83 2HB PHE 83 -9.241 3.682 -0.523 654 HB3 PHE 83 3HB PHE 83 -10.250 4.882 -1.317 655 HD1 PHE 83 HD2 PHE 83 -10.794 4.529 -3.832 656 HD2 PHE 83 HD1 PHE 83 -9.140 1.445 -1.362 657 HE1 PHE 83 HE2 PHE 83 -11.566 2.825 -5.431 658 HE2 PHE 83 HE1 PHE 83 -9.912 -0.245 -2.967 659 HZ PHE 83 HZ PHE 83 -11.124 0.438 -5.000 660 H LEU 84 H LEU 84 -6.799 3.678 -0.187 661 HA LEU 84 HA LEU 84 -5.431 1.935 -2.146 662 HB2 LEU 84 2HB LEU 84 -3.992 3.902 -1.543 663 HB3 LEU 84 3HB LEU 84 -4.076 3.434 0.140 664 HG LEU 84 HG LEU 84 -2.812 1.366 -0.367 665 HD11 LEU 84 1HD1 LEU 84 -1.792 1.030 -2.589 666 HD12 LEU 84 2HD1 LEU 84 -2.718 2.395 -3.219 667 HD13 LEU 84 3HD1 LEU 84 -3.552 0.947 -2.652 668 HD21 LEU 84 3HD2 LEU 84 -1.472 3.879 -1.420 669 HD22 LEU 84 1HD2 LEU 84 -0.645 2.426 -0.848 670 HD23 LEU 84 2HD2 LEU 84 -1.592 3.400 0.276 671 H THR 85 H THR 85 -5.184 -0.175 -1.395 672 HA THR 85 HA THR 85 -5.700 -0.752 1.478 673 HB THR 85 HB THR 85 -6.671 -2.365 -0.928 674 HG1 THR 85 HG1 THR 85 -7.781 -0.279 0.208 675 HG21 THR 85 3HG2 THR 85 -7.106 -2.887 2.043 676 HG22 THR 85 1HG2 THR 85 -6.098 -3.862 0.963 677 HG23 THR 85 2HG2 THR 85 -7.844 -3.797 0.727 678 H ILE 86 H ILE 86 -3.912 -1.653 2.366 679 HA ILE 86 HA ILE 86 -1.970 -3.066 0.618 680 HB ILE 86 HB ILE 86 -1.367 -1.884 3.365 681 HG12 ILE 86 2HG1 ILE 86 -2.104 -0.045 1.834 682 HG13 ILE 86 3HG1 ILE 86 -0.398 0.092 2.247 683 HG21 ILE 86 1HG2 ILE 86 0.215 -3.600 2.588 684 HG22 ILE 86 2HG2 ILE 86 0.988 -2.016 2.594 685 HG23 ILE 86 3HG2 ILE 86 0.452 -2.728 1.073 686 HD11 ILE 86 3HD1 ILE 86 0.177 -0.894 0.059 687 HD12 ILE 86 1HD1 ILE 86 -0.741 0.600 -0.066 688 HD13 ILE 86 2HD1 ILE 86 -1.542 -0.942 -0.343 689 H ASN 87 H ASN 87 -2.285 -5.212 0.755 690 HA ASN 87 HA ASN 87 -3.354 -6.520 3.128 691 HB2 ASN 87 2HB ASN 87 -2.456 -7.644 0.432 692 HB3 ASN 87 3HB ASN 87 -3.162 -8.611 1.724 693 HD21 ASN 87 1HD2 ASN 87 -3.801 -6.078 -0.634 694 HD22 ASN 87 2HD2 ASN 87 -5.520 -6.248 -0.613 695 H LYS 88 H LYS 88 -2.242 -7.996 4.434 696 HA LYS 88 HA LYS 88 0.672 -8.395 3.987 697 HB2 LYS 88 2HB LYS 88 -0.716 -8.228 6.713 698 HB3 LYS 88 3HB LYS 88 0.997 -8.535 6.443 699 HG2 LYS 88 2HG LYS 88 -0.520 -5.975 5.941 700 HG3 LYS 88 3HG LYS 88 0.735 -6.266 7.148 701 HD2 LYS 88 2HD LYS 88 2.437 -6.447 5.424 702 HD3 LYS 88 3HD LYS 88 1.215 -6.396 4.148 703 HE2 LYS 88 2HE LYS 88 2.020 -4.158 6.011 704 HE3 LYS 88 3HE LYS 88 2.212 -4.228 4.259 705 HZ1 LYS 88 3HZ LYS 88 -0.343 -4.089 5.735 706 HZ2 LYS 88 1HZ LYS 88 -0.213 -4.231 4.064 707 HZ3 LYS 88 2HZ LYS 88 0.356 -2.843 4.847 708 H ASP 89 H ASP 89 1.490 -10.406 5.036 709 HA ASP 89 HA ASP 89 -0.287 -12.674 5.015 710 HB2 ASP 89 2HB ASP 89 2.230 -12.720 4.485 711 HB3 ASP 89 3HB ASP 89 2.527 -12.527 6.207 712 H ARG 90 H ARG 90 -0.907 -13.858 6.911 713 HA ARG 90 HA ARG 90 -1.939 -12.252 8.983 714 HB2 ARG 90 2HB ARG 90 -2.770 -14.351 9.962 715 HB3 ARG 90 3HB ARG 90 -3.056 -14.296 8.225 716 HG2 ARG 90 2HG ARG 90 -1.139 -15.792 7.838 717 HG3 ARG 90 3HG ARG 90 -0.800 -15.823 9.572 718 HD2 ARG 90 2HD ARG 90 -3.285 -16.894 8.196 719 HD3 ARG 90 3HD ARG 90 -1.984 -17.846 8.912 720 HE ARG 90 HE ARG 90 -3.729 -16.063 10.516 721 HH11 ARG 90 1HH1 ARG 90 -2.230 -19.223 10.077 722 HH12 ARG 90 2HH1 ARG 90 -2.806 -19.832 11.596 723 HH21 ARG 90 1HH2 ARG 90 -4.446 -16.866 12.505 724 HH22 ARG 90 2HH2 ARG 90 -4.060 -18.495 12.967 725 H MET 91 H MET 91 1.099 -13.940 8.728 726 HA MET 91 HA MET 91 1.629 -14.246 11.534 727 HB2 MET 91 2HB MET 91 3.830 -15.002 10.854 728 HB3 MET 91 3HB MET 91 2.651 -15.666 9.733 729 HG2 MET 91 2HG MET 91 3.249 -13.750 8.170 730 HG3 MET 91 3HG MET 91 4.606 -13.417 9.245 731 HE1 MET 91 3HE MET 91 6.585 -15.253 9.711 732 HE2 MET 91 1HE MET 91 6.676 -16.796 8.864 733 HE3 MET 91 2HE MET 91 5.420 -16.531 10.071 734 H VAL 92 H VAL 92 1.778 -11.549 9.425 735 HA VAL 92 HA VAL 92 3.850 -10.122 10.984 736 HB VAL 92 HB VAL 92 2.577 -9.182 8.370 737 HG11 VAL 92 1HG1 VAL 92 5.232 -8.506 9.690 738 HG12 VAL 92 2HG1 VAL 92 3.805 -7.468 9.650 739 HG13 VAL 92 3HG1 VAL 92 4.654 -7.861 8.151 740 HG21 VAL 92 3HG2 VAL 92 5.061 -10.918 8.643 741 HG22 VAL 92 1HG2 VAL 92 4.499 -10.157 7.153 742 HG23 VAL 92 2HG2 VAL 92 3.524 -11.408 7.925 743 H HIS 93 H HIS 93 3.340 -8.249 12.119 744 HA HIS 93 HA HIS 93 0.479 -7.762 12.639 745 HB2 HIS 93 2HB HIS 93 2.934 -6.940 14.245 746 HB3 HIS 93 3HB HIS 93 1.257 -6.720 14.742 747 HD1 HIS 93 HD1 HIS 93 4.004 -9.012 15.133 748 HD2 HIS 93 HD2 HIS 93 -0.125 -9.382 14.952 749 HE1 HIS 93 HE1 HIS 93 3.490 -11.274 16.090 750 HE2 HIS 93 HE2 HIS 93 1.003 -11.528 15.836 751 H TRP 94 H TRP 94 -0.377 -5.673 12.788 752 HA TRP 94 HA TRP 94 0.385 -3.938 10.643 753 HB2 TRP 94 2HB TRP 94 -1.849 -3.794 12.712 754 HB3 TRP 94 3HB TRP 94 -1.682 -2.646 11.381 755 HD1 TRP 94 HD1 TRP 94 -3.120 -6.038 12.154 756 HE1 TRP 94 HE1 TRP 94 -4.056 -7.083 9.992 757 HE3 TRP 94 HE3 TRP 94 -1.127 -2.784 8.755 758 HZ2 TRP 94 HZ2 TRP 94 -3.955 -6.577 7.222 759 HZ3 TRP 94 HZ3 TRP 94 -1.588 -3.137 6.371 760 HH2 TRP 94 HH2 TRP 94 -2.977 -5.002 5.615 761 H ASN 95 H ASN 95 0.585 -3.729 14.151 762 HA ASN 95 HA ASN 95 0.715 -1.006 14.601 763 HB2 ASN 95 2HB ASN 95 0.465 -2.625 16.393 764 HB3 ASN 95 3HB ASN 95 2.067 -3.283 16.093 765 HD21 ASN 95 1HD2 ASN 95 3.863 -2.200 16.918 766 HD22 ASN 95 2HD2 ASN 95 3.738 -0.887 18.034 767 H SER 96 H SER 96 3.211 -3.031 13.303 768 HA SER 96 HA SER 96 5.415 -1.189 13.806 769 HB2 SER 96 2HB SER 96 6.713 -2.919 12.465 770 HB3 SER 96 3HB SER 96 5.920 -3.564 13.901 771 HG SER 96 HG SER 96 4.329 -4.441 12.630 772 H ILE 97 H ILE 97 3.192 -2.033 11.245 773 HA ILE 97 HA ILE 97 4.926 -1.092 9.093 774 HB ILE 97 HB ILE 97 2.175 -2.410 8.949 775 HG12 ILE 97 2HG1 ILE 97 4.935 -3.700 8.744 776 HG13 ILE 97 3HG1 ILE 97 3.833 -3.876 10.105 777 HG21 ILE 97 1HG2 ILE 97 2.781 -1.204 6.899 778 HG22 ILE 97 2HG2 ILE 97 2.813 -2.940 6.621 779 HG23 ILE 97 3HG2 ILE 97 4.319 -2.058 6.831 780 HD11 ILE 97 3HD1 ILE 97 2.236 -5.021 8.659 781 HD12 ILE 97 1HD1 ILE 97 3.802 -5.820 8.689 782 HD13 ILE 97 2HD1 ILE 97 3.345 -4.851 7.296 783 H LYS 98 H LYS 98 1.989 -0.107 10.789 784 HA LYS 98 HA LYS 98 0.736 1.475 8.894 785 HB2 LYS 98 2HB LYS 98 0.774 1.873 11.901 786 HB3 LYS 98 3HB LYS 98 -0.318 2.716 10.806 787 HG2 LYS 98 2HG LYS 98 -1.367 0.616 10.154 788 HG3 LYS 98 3HG LYS 98 -0.207 -0.297 11.127 789 HD2 LYS 98 2HD LYS 98 -2.300 -0.114 12.354 790 HD3 LYS 98 3HD LYS 98 -1.062 0.838 13.175 791 HE2 LYS 98 2HE LYS 98 -1.991 2.892 12.033 792 HE3 LYS 98 3HE LYS 98 -3.299 1.889 11.403 793 HZ1 LYS 98 3HZ LYS 98 -2.694 2.269 14.287 794 HZ2 LYS 98 1HZ LYS 98 -3.999 1.411 13.641 795 HZ3 LYS 98 2HZ LYS 98 -3.905 3.089 13.438 796 HA PRO 99 HA PRO 99 3.277 5.462 10.361 797 HB2 PRO 99 2HB PRO 99 5.821 4.949 11.407 798 HB3 PRO 99 3HB PRO 99 4.380 5.272 12.396 799 HG2 PRO 99 2HG PRO 99 5.594 2.625 11.659 800 HG3 PRO 99 3HG PRO 99 4.979 3.182 13.234 801 HD2 PRO 99 2HD PRO 99 3.494 1.575 11.690 802 HD3 PRO 99 3HD PRO 99 2.737 2.884 12.621 803 H GLU 100 H GLU 100 4.971 2.546 9.217 804 HA GLU 100 HA GLU 100 6.789 3.802 7.473 805 HB2 GLU 100 2HB GLU 100 5.586 1.009 7.368 806 HB3 GLU 100 3HB GLU 100 6.902 1.549 6.327 807 HG2 GLU 100 2HG GLU 100 6.973 1.314 9.349 808 HG3 GLU 100 3HG GLU 100 7.772 0.249 8.192 809 H ILE 101 H ILE 101 3.561 2.380 6.791 810 HA ILE 101 HA ILE 101 3.584 2.968 4.010 811 HB ILE 101 HB ILE 101 1.211 2.352 5.830 812 HG12 ILE 101 2HG1 ILE 101 2.821 0.523 3.983 813 HG13 ILE 101 3HG1 ILE 101 2.900 0.521 5.741 814 HG21 ILE 101 1HG2 ILE 101 -0.030 1.776 3.756 815 HG22 ILE 101 2HG2 ILE 101 1.338 2.330 2.789 816 HG23 ILE 101 3HG2 ILE 101 0.437 3.480 3.779 817 HD11 ILE 101 3HD1 ILE 101 1.575 -1.325 4.911 818 HD12 ILE 101 1HD1 ILE 101 0.490 -0.211 4.079 819 HD13 ILE 101 2HD1 ILE 101 0.573 -0.216 5.844 820 H ILE 102 H ILE 102 2.124 4.652 6.823 821 HA ILE 102 HA ILE 102 0.800 6.712 5.449 822 HB ILE 102 HB ILE 102 2.019 6.741 8.251 823 HG12 ILE 102 2HG1 ILE 102 -0.882 6.301 7.377 824 HG13 ILE 102 3HG1 ILE 102 0.228 5.013 7.828 825 HG21 ILE 102 1HG2 ILE 102 1.699 9.066 7.475 826 HG22 ILE 102 2HG2 ILE 102 0.545 8.671 8.749 827 HG23 ILE 102 3HG2 ILE 102 0.018 8.709 7.065 828 HD11 ILE 102 3HD1 ILE 102 0.378 5.963 10.093 829 HD12 ILE 102 1HD1 ILE 102 -1.265 5.503 9.644 830 HD13 ILE 102 2HD1 ILE 102 -0.793 7.202 9.632 831 H ASP 103 H ASP 103 4.194 6.468 6.567 832 HA ASP 103 HA ASP 103 4.999 9.101 5.851 833 HB2 ASP 103 2HB ASP 103 6.331 7.672 7.404 834 HB3 ASP 103 3HB ASP 103 6.753 6.611 6.063 835 H LEU 104 H LEU 104 5.224 5.981 4.098 836 HA LEU 104 HA LEU 104 6.577 6.899 1.797 837 HB2 LEU 104 2HB LEU 104 4.662 4.555 2.124 838 HB3 LEU 104 3HB LEU 104 5.675 4.807 0.709 839 HG LEU 104 HG LEU 104 6.731 4.329 3.525 840 HD11 LEU 104 1HD1 LEU 104 6.595 2.396 1.193 841 HD12 LEU 104 2HD1 LEU 104 5.611 2.331 2.657 842 HD13 LEU 104 3HD1 LEU 104 7.352 2.092 2.759 843 HD21 LEU 104 3HD2 LEU 104 8.282 5.664 2.186 844 HD22 LEU 104 1HD2 LEU 104 8.213 4.479 0.877 845 HD23 LEU 104 2HD2 LEU 104 8.923 4.043 2.435 846 H LEU 105 H LEU 105 3.150 6.780 2.594 847 HA LEU 105 HA LEU 105 2.176 7.654 0.053 848 HB2 LEU 105 2HB LEU 105 0.975 7.266 2.780 849 HB3 LEU 105 3HB LEU 105 0.114 8.326 1.677 850 HG LEU 105 HG LEU 105 -0.149 6.518 0.046 851 HD11 LEU 105 1HD1 LEU 105 1.381 4.737 1.956 852 HD12 LEU 105 2HD1 LEU 105 1.927 5.288 0.372 853 HD13 LEU 105 3HD1 LEU 105 0.542 4.208 0.496 854 HD21 LEU 105 3HD2 LEU 105 -1.664 5.061 1.316 855 HD22 LEU 105 1HD2 LEU 105 -1.854 6.752 1.780 856 HD23 LEU 105 2HD2 LEU 105 -0.966 5.644 2.830 857 H THR 106 H THR 106 3.311 9.346 2.972 858 HA THR 106 HA THR 106 2.287 11.923 2.180 859 HB THR 106 HB THR 106 4.340 11.132 4.300 860 HG1 THR 106 HG1 THR 106 2.071 10.498 4.571 861 HG21 THR 106 3HG2 THR 106 4.010 13.393 5.252 862 HG22 THR 106 1HG2 THR 106 2.995 13.826 3.872 863 HG23 THR 106 2HG2 THR 106 4.711 13.486 3.636 864 H LYS 107 H LYS 107 5.290 10.085 1.795 865 HA LYS 107 HA LYS 107 6.906 12.104 0.628 866 HB2 LYS 107 2HB LYS 107 6.996 9.061 0.400 867 HB3 LYS 107 3HB LYS 107 8.206 10.109 -0.329 868 HG2 LYS 107 2HG LYS 107 7.619 9.925 2.643 869 HG3 LYS 107 3HG LYS 107 8.958 9.127 1.808 870 HD2 LYS 107 2HD LYS 107 9.858 11.346 1.148 871 HD3 LYS 107 3HD LYS 107 8.525 12.138 1.996 872 HE2 LYS 107 2HE LYS 107 10.685 10.415 3.262 873 HE3 LYS 107 3HE LYS 107 10.552 12.169 3.362 874 HZ1 LYS 107 3HZ LYS 107 8.454 11.900 4.543 875 HZ2 LYS 107 1HZ LYS 107 9.718 11.121 5.355 876 HZ3 LYS 107 2HZ LYS 107 8.606 10.217 4.468 877 H GLN 108 H GLN 108 5.037 9.422 -0.838 878 HA GLN 108 HA GLN 108 5.532 9.900 -3.524 879 HB2 GLN 108 2HB GLN 108 4.526 7.824 -2.925 880 HB3 GLN 108 3HB GLN 108 3.183 8.608 -2.101 881 HG2 GLN 108 2HG GLN 108 2.194 9.289 -4.198 882 HG3 GLN 108 3HG GLN 108 3.614 8.770 -5.101 883 HE21 GLN 108 1HE2 GLN 108 3.911 6.594 -5.513 884 HE22 GLN 108 2HE2 GLN 108 2.664 5.430 -5.274 885 H LEU 109 H LEU 109 2.711 10.963 -1.629 886 HA LEU 109 HA LEU 109 1.465 12.363 -3.769 887 HB2 LEU 109 2HB LEU 109 0.963 12.582 -0.780 888 HB3 LEU 109 3HB LEU 109 -0.126 13.132 -2.045 889 HG LEU 109 HG LEU 109 0.622 10.230 -1.483 890 HD11 LEU 109 1HD1 LEU 109 -0.840 11.116 0.249 891 HD12 LEU 109 2HD1 LEU 109 -1.709 9.954 -0.752 892 HD13 LEU 109 3HD1 LEU 109 -1.986 11.685 -0.968 893 HD21 LEU 109 3HD2 LEU 109 -1.112 9.652 -3.141 894 HD22 LEU 109 1HD2 LEU 109 0.243 10.520 -3.856 895 HD23 LEU 109 2HD2 LEU 109 -1.280 11.359 -3.552 896 H ALA 110 H ALA 110 4.028 13.248 -1.638 897 HA ALA 110 HA ALA 110 3.710 16.123 -1.844 898 HB1 ALA 110 3HB ALA 110 6.110 14.504 -0.929 899 HB2 ALA 110 1HB ALA 110 4.825 15.122 0.109 900 HB3 ALA 110 2HB ALA 110 5.894 16.247 -0.730 901 H TYR 111 H TYR 111 5.157 13.619 -3.772 902 HA TYR 111 HA TYR 111 6.587 15.571 -5.479 903 HB2 TYR 111 2HB TYR 111 6.602 12.520 -5.611 904 HB3 TYR 111 3HB TYR 111 7.619 13.605 -6.554 905 HD1 TYR 111 HD2 TYR 111 8.902 15.434 -4.850 906 HD2 TYR 111 HD1 TYR 111 7.769 11.422 -3.887 907 HE1 TYR 111 HE2 TYR 111 10.614 15.367 -3.084 908 HE2 TYR 111 HE1 TYR 111 9.480 11.360 -2.123 909 HH TYR 111 HH TYR 111 11.094 14.163 -1.029 910 H GLY 112 H GLY 112 3.806 13.460 -5.394 911 HA2 GLY 112 2HA GLY 112 2.392 14.705 -7.457 912 HA3 GLY 112 3HA GLY 112 3.185 13.295 -8.159 913 H GLU 113 H GLU 113 0.303 13.984 -7.560 914 HA GLU 113 HA GLU 113 -0.750 12.500 -5.414 915 HB2 GLU 113 2HB GLU 113 -2.062 13.177 -8.075 916 HB3 GLU 113 3HB GLU 113 -2.920 12.624 -6.639 917 HG2 GLU 113 2HG GLU 113 -2.328 14.656 -5.447 918 HG3 GLU 113 3HG GLU 113 -1.329 15.196 -6.796 919 H ASP 114 H ASP 114 0.186 11.523 -8.646 920 HA ASP 114 HA ASP 114 -1.333 9.093 -8.685 921 HB2 ASP 114 2HB ASP 114 -0.322 8.681 -10.847 922 HB3 ASP 114 3HB ASP 114 -0.792 10.370 -10.750 923 H VAL 115 H VAL 115 -0.776 7.186 -7.848 924 HA VAL 115 HA VAL 115 2.013 6.401 -7.448 925 HB VAL 115 HB VAL 115 0.444 5.453 -5.855 926 HG11 VAL 115 1HG1 VAL 115 -1.077 4.236 -8.175 927 HG12 VAL 115 2HG1 VAL 115 -1.610 5.611 -7.209 928 HG13 VAL 115 3HG1 VAL 115 -1.441 4.022 -6.459 929 HG21 VAL 115 3HG2 VAL 115 0.852 3.033 -6.104 930 HG22 VAL 115 1HG2 VAL 115 2.291 3.967 -6.527 931 HG23 VAL 115 2HG2 VAL 115 1.285 3.272 -7.799 932 H ILE 116 H ILE 116 -0.722 5.750 -9.596 933 HA ILE 116 HA ILE 116 1.067 4.847 -11.762 934 HB ILE 116 HB ILE 116 -1.615 3.541 -11.035 935 HG12 ILE 116 2HG1 ILE 116 1.194 2.350 -10.888 936 HG13 ILE 116 3HG1 ILE 116 0.212 2.812 -9.505 937 HG21 ILE 116 1HG2 ILE 116 -1.174 1.980 -12.900 938 HG22 ILE 116 2HG2 ILE 116 0.303 2.859 -13.294 939 HG23 ILE 116 3HG2 ILE 116 -1.267 3.646 -13.476 940 HD11 ILE 116 3HD1 ILE 116 0.194 0.419 -9.820 941 HD12 ILE 116 1HD1 ILE 116 -0.412 0.601 -11.466 942 HD13 ILE 116 2HD1 ILE 116 -1.418 1.075 -10.095 943 H SER 117 H SER 117 0.781 6.287 -13.374 944 HA SER 117 HA SER 117 -1.643 7.859 -13.697 945 HB2 SER 117 2HB SER 117 0.910 7.717 -15.382 946 HB3 SER 117 3HB SER 117 -0.395 8.881 -15.610 947 HG SER 117 HG SER 117 1.025 8.616 -13.166 948 H LYS 118 H LYS 118 -2.864 5.769 -13.863 949 HA LYS 118 HA LYS 118 -2.624 4.213 -16.298 950 HB2 LYS 118 2HB LYS 118 -3.154 3.141 -14.095 951 HB3 LYS 118 3HB LYS 118 -4.688 4.005 -14.063 952 HG2 LYS 118 2HG LYS 118 -4.944 1.654 -14.797 953 HG3 LYS 118 3HG LYS 118 -5.460 2.802 -16.039 954 HD2 LYS 118 2HD LYS 118 -3.206 2.511 -17.148 955 HD3 LYS 118 3HD LYS 118 -2.829 1.257 -15.963 956 HE2 LYS 118 2HE LYS 118 -4.618 -0.139 -16.796 957 HE3 LYS 118 3HE LYS 118 -5.201 1.154 -17.847 958 HZ1 LYS 118 3HZ LYS 118 -3.081 1.029 -19.055 959 HZ2 LYS 118 1HZ LYS 118 -3.944 -0.422 -19.116 960 HZ3 LYS 118 2HZ LYS 118 -2.607 -0.276 -18.092 961 H GLU 119 H GLU 119 -3.116 5.637 -17.917 962 HA GLU 119 HA GLU 119 -5.875 5.740 -18.669 963 HB2 GLU 119 2HB GLU 119 -5.295 7.961 -17.268 964 HB3 GLU 119 3HB GLU 119 -4.528 8.466 -18.762 965 HG2 GLU 119 2HG GLU 119 -7.453 7.775 -18.371 966 HG3 GLU 119 3HG GLU 119 -6.779 9.385 -18.583 Start of MODEL 12 1 H1 MET 1 1H MET 1 10.515 61.297 -17.114 2 H2 MET 1 2H MET 1 11.351 60.176 -18.063 3 H3 MET 1 3H MET 1 12.153 60.995 -16.828 4 HA MET 1 HA MET 1 10.865 59.910 -15.158 5 HB2 MET 1 2HB MET 1 9.221 58.180 -15.709 6 HB3 MET 1 3HB MET 1 8.769 59.696 -16.474 7 HG2 MET 1 2HG MET 1 10.098 57.357 -17.872 8 HG3 MET 1 3HG MET 1 8.382 57.764 -17.940 9 HE1 MET 1 3HE MET 1 9.751 58.659 -21.551 10 HE2 MET 1 1HE MET 1 8.599 57.672 -20.652 11 HE3 MET 1 2HE MET 1 10.327 57.348 -20.521 12 H GLY 2 H GLY 2 11.387 57.708 -14.361 13 HA2 GLY 2 2HA GLY 2 12.530 55.559 -15.426 14 HA3 GLY 2 3HA GLY 2 13.880 56.688 -15.536 15 H HIS 3 H HIS 3 11.442 56.478 -12.983 16 HA HIS 3 HA HIS 3 13.554 56.019 -10.980 17 HB2 HIS 3 2HB HIS 3 10.633 56.847 -10.685 18 HB3 HIS 3 3HB HIS 3 11.718 56.566 -9.327 19 HD1 HIS 3 HD1 HIS 3 13.072 58.555 -8.571 20 HD2 HIS 3 HD2 HIS 3 11.490 59.088 -12.375 21 HE1 HIS 3 HE1 HIS 3 13.587 60.933 -9.192 22 HE2 HIS 3 HE2 HIS 3 12.712 61.195 -11.534 23 H HIS 4 H HIS 4 13.696 53.860 -12.060 24 HA HIS 4 HA HIS 4 11.544 51.950 -11.608 25 HB2 HIS 4 2HB HIS 4 12.941 50.387 -12.936 26 HB3 HIS 4 3HB HIS 4 12.659 51.905 -13.773 27 HD1 HIS 4 HD1 HIS 4 15.252 49.560 -13.268 28 HD2 HIS 4 HD2 HIS 4 15.129 53.718 -13.315 29 HE1 HIS 4 HE1 HIS 4 17.611 50.308 -13.678 30 HE2 HIS 4 HE2 HIS 4 17.531 52.815 -13.557 31 H HIS 5 H HIS 5 11.356 51.224 -9.588 32 HA HIS 5 HA HIS 5 13.484 49.664 -8.415 33 HB2 HIS 5 2HB HIS 5 13.439 50.851 -6.203 34 HB3 HIS 5 3HB HIS 5 14.142 51.803 -7.493 35 HD1 HIS 5 HD1 HIS 5 12.893 53.964 -8.195 36 HD2 HIS 5 HD2 HIS 5 11.098 51.925 -5.051 37 HE1 HIS 5 HE1 HIS 5 11.229 55.566 -7.212 38 HE2 HIS 5 HE2 HIS 5 10.053 54.262 -5.416 39 H HIS 6 H HIS 6 12.455 47.828 -8.047 40 HA HIS 6 HA HIS 6 10.386 47.633 -6.088 41 HB2 HIS 6 2HB HIS 6 8.673 46.465 -7.433 42 HB3 HIS 6 3HB HIS 6 8.921 48.097 -8.032 43 HD1 HIS 6 HD1 HIS 6 8.053 45.093 -9.384 44 HD2 HIS 6 HD2 HIS 6 11.165 47.696 -10.296 45 HE1 HIS 6 HE1 HIS 6 8.675 44.593 -11.769 46 HE2 HIS 6 HE2 HIS 6 10.723 45.995 -12.187 47 H HIS 7 H HIS 7 11.290 46.092 -4.853 48 HA HIS 7 HA HIS 7 11.864 43.463 -5.795 49 HB2 HIS 7 2HB HIS 7 14.348 43.441 -5.193 50 HB3 HIS 7 3HB HIS 7 13.936 44.293 -6.674 51 HD1 HIS 7 HD1 HIS 7 15.436 44.796 -3.313 52 HD2 HIS 7 HD2 HIS 7 14.252 47.138 -6.539 53 HE1 HIS 7 HE1 HIS 7 16.466 47.051 -2.927 54 HE2 HIS 7 HE2 HIS 7 15.710 48.459 -4.864 55 H HIS 8 H HIS 8 10.194 43.401 -4.096 56 HA HIS 8 HA HIS 8 11.328 42.320 -1.697 57 HB2 HIS 8 2HB HIS 8 10.197 43.792 -0.040 58 HB3 HIS 8 3HB HIS 8 11.398 44.660 -0.982 59 HD1 HIS 8 HD1 HIS 8 10.631 46.757 -2.140 60 HD2 HIS 8 HD2 HIS 8 7.439 44.455 -0.804 61 HE1 HIS 8 HE1 HIS 8 8.588 48.186 -2.447 62 HE2 HIS 8 HE2 HIS 8 6.710 46.842 -1.463 63 H SER 9 H SER 9 9.346 41.735 -3.978 64 HA SER 9 HA SER 9 6.959 40.922 -2.478 65 HB2 SER 9 2HB SER 9 6.121 40.139 -4.710 66 HB3 SER 9 3HB SER 9 6.595 41.835 -4.720 67 HG SER 9 HG SER 9 8.042 39.624 -5.763 68 H HIS 10 H HIS 10 7.034 39.072 -1.342 69 HA HIS 10 HA HIS 10 8.649 36.760 -2.296 70 HB2 HIS 10 2HB HIS 10 8.055 37.573 0.587 71 HB3 HIS 10 3HB HIS 10 8.941 36.132 0.103 72 HD1 HIS 10 HD1 HIS 10 11.441 36.398 -0.293 73 HD2 HIS 10 HD2 HIS 10 9.478 40.042 0.138 74 HE1 HIS 10 HE1 HIS 10 13.249 38.127 -0.102 75 HE2 HIS 10 HE2 HIS 10 12.033 40.324 -0.039 76 H MET 11 H MET 11 7.674 34.725 -2.188 77 HA MET 11 HA MET 11 4.906 34.516 -1.237 78 HB2 MET 11 2HB MET 11 4.209 33.454 -3.423 79 HB3 MET 11 3HB MET 11 4.536 35.175 -3.515 80 HG2 MET 11 2HG MET 11 6.714 34.712 -4.562 81 HG3 MET 11 3HG MET 11 6.397 32.979 -4.457 82 HE1 MET 11 3HE MET 11 7.186 34.435 -7.214 83 HE2 MET 11 1HE MET 11 6.024 33.723 -8.328 84 HE3 MET 11 2HE MET 11 6.826 32.709 -7.129 85 H ASN 12 H ASN 12 5.179 32.985 0.247 86 HA ASN 12 HA ASN 12 6.393 30.379 -0.503 87 HB2 ASN 12 2HB ASN 12 6.660 31.895 2.140 88 HB3 ASN 12 3HB ASN 12 6.973 30.167 2.007 89 HD21 ASN 12 1HD2 ASN 12 9.113 30.492 2.688 90 HD22 ASN 12 2HD2 ASN 12 10.318 31.125 1.622 91 H SER 13 H SER 13 4.795 28.908 -0.577 92 HA SER 13 HA SER 13 2.762 28.835 1.567 93 HB2 SER 13 2HB SER 13 1.741 29.926 -0.463 94 HB3 SER 13 3HB SER 13 2.122 28.485 -1.403 95 HG SER 13 HG SER 13 0.090 28.132 -0.766 96 H GLN 14 H GLN 14 3.828 27.134 2.502 97 HA GLN 14 HA GLN 14 4.373 24.662 1.015 98 HB2 GLN 14 2HB GLN 14 5.356 23.885 3.187 99 HB3 GLN 14 3HB GLN 14 6.085 25.375 2.605 100 HG2 GLN 14 2HG GLN 14 4.729 26.671 4.217 101 HG3 GLN 14 3HG GLN 14 3.989 25.175 4.786 102 HE21 GLN 14 1HE2 GLN 14 4.720 25.561 6.896 103 HE22 GLN 14 2HE2 GLN 14 6.378 25.367 7.356 104 H ARG 15 H ARG 15 3.481 22.615 1.728 105 HA ARG 15 HA ARG 15 1.062 22.671 3.419 106 HB2 ARG 15 2HB ARG 15 -0.262 21.415 1.826 107 HB3 ARG 15 3HB ARG 15 0.354 22.837 0.993 108 HG2 ARG 15 2HG ARG 15 2.023 21.512 -0.175 109 HG3 ARG 15 3HG ARG 15 1.609 20.077 0.768 110 HD2 ARG 15 2HD ARG 15 -0.148 21.484 -1.270 111 HD3 ARG 15 3HD ARG 15 0.606 19.896 -1.434 112 HE ARG 15 HE ARG 15 -1.636 20.587 0.363 113 HH11 ARG 15 1HH1 ARG 15 0.198 18.067 -1.316 114 HH12 ARG 15 2HH1 ARG 15 -0.933 16.820 -0.879 115 HH21 ARG 15 1HH2 ARG 15 -3.061 18.935 0.937 116 HH22 ARG 15 2HH2 ARG 15 -2.763 17.317 0.388 117 H LEU 16 H LEU 16 0.350 20.428 4.003 118 HA LEU 16 HA LEU 16 2.486 18.373 3.860 119 HB2 LEU 16 2HB LEU 16 0.567 18.899 6.165 120 HB3 LEU 16 3HB LEU 16 1.595 17.478 6.047 121 HG LEU 16 HG LEU 16 2.556 20.347 6.325 122 HD11 LEU 16 1HD1 LEU 16 1.603 19.471 8.400 123 HD12 LEU 16 2HD1 LEU 16 3.346 19.673 8.539 124 HD13 LEU 16 3HD1 LEU 16 2.663 18.060 8.311 125 HD21 LEU 16 3HD2 LEU 16 4.196 17.798 6.160 126 HD22 LEU 16 1HD2 LEU 16 4.825 19.402 6.551 127 HD23 LEU 16 2HD2 LEU 16 4.139 19.092 4.960 128 H ILE 17 H ILE 17 1.414 16.154 4.453 129 HA ILE 17 HA ILE 17 -0.983 15.769 2.744 130 HB ILE 17 HB ILE 17 1.541 14.050 2.843 131 HG12 ILE 17 2HG1 ILE 17 0.351 15.624 0.512 132 HG13 ILE 17 3HG1 ILE 17 1.694 16.180 1.505 133 HG21 ILE 17 1HG2 ILE 17 -0.999 13.533 1.246 134 HG22 ILE 17 2HG2 ILE 17 -0.434 12.587 2.622 135 HG23 ILE 17 3HG2 ILE 17 0.498 12.604 1.125 136 HD11 ILE 17 3HD1 ILE 17 2.476 15.286 -0.584 137 HD12 ILE 17 1HD1 ILE 17 1.690 13.743 -0.259 138 HD13 ILE 17 2HD1 ILE 17 3.032 14.282 0.755 139 H HIS 18 H HIS 18 -2.526 15.359 4.240 140 HA HIS 18 HA HIS 18 -2.107 13.570 6.492 141 HB2 HIS 18 2HB HIS 18 -4.524 15.120 5.495 142 HB3 HIS 18 3HB HIS 18 -4.659 13.939 6.791 143 HD1 HIS 18 HD1 HIS 18 -3.399 14.501 9.049 144 HD2 HIS 18 HD2 HIS 18 -3.520 17.614 6.289 145 HE1 HIS 18 HE1 HIS 18 -2.848 16.581 10.347 146 HE2 HIS 18 HE2 HIS 18 -2.892 18.440 8.655 147 H ILE 19 H ILE 19 -2.757 11.494 6.634 148 HA ILE 19 HA ILE 19 -4.172 10.199 4.384 149 HB ILE 19 HB ILE 19 -1.696 9.101 5.812 150 HG12 ILE 19 2HG1 ILE 19 -1.082 10.747 4.065 151 HG13 ILE 19 3HG1 ILE 19 -0.588 9.131 3.585 152 HG21 ILE 19 1HG2 ILE 19 -3.438 7.745 3.721 153 HG22 ILE 19 2HG2 ILE 19 -3.285 7.290 5.420 154 HG23 ILE 19 3HG2 ILE 19 -1.905 7.115 4.335 155 HD11 ILE 19 3HD1 ILE 19 -2.528 9.001 2.071 156 HD12 ILE 19 1HD1 ILE 19 -1.476 10.368 1.704 157 HD13 ILE 19 2HD1 ILE 19 -2.997 10.635 2.550 158 H LYS 20 H LYS 20 -5.915 9.131 5.152 159 HA LYS 20 HA LYS 20 -6.277 8.765 8.063 160 HB2 LYS 20 2HB LYS 20 -7.930 10.219 7.031 161 HB3 LYS 20 3HB LYS 20 -8.204 9.084 5.716 162 HG2 LYS 20 2HG LYS 20 -9.222 7.494 7.344 163 HG3 LYS 20 3HG LYS 20 -9.018 8.697 8.623 164 HD2 LYS 20 2HD LYS 20 -10.667 9.075 6.089 165 HD3 LYS 20 3HD LYS 20 -11.327 8.674 7.673 166 HE2 LYS 20 2HE LYS 20 -9.819 11.227 6.999 167 HE3 LYS 20 3HE LYS 20 -11.569 11.076 7.135 168 HZ1 LYS 20 3HZ LYS 20 -10.641 11.973 9.148 169 HZ2 LYS 20 1HZ LYS 20 -9.616 10.643 9.326 170 HZ3 LYS 20 2HZ LYS 20 -11.289 10.445 9.460 171 H THR 21 H THR 21 -6.343 6.671 8.808 172 HA THR 21 HA THR 21 -6.432 4.486 6.800 173 HB THR 21 HB THR 21 -5.241 4.374 9.614 174 HG1 THR 21 HG1 THR 21 -4.243 5.608 7.578 175 HG21 THR 21 3HG2 THR 21 -5.987 2.166 8.770 176 HG22 THR 21 1HG2 THR 21 -4.225 2.253 8.796 177 HG23 THR 21 2HG2 THR 21 -5.091 2.422 7.270 178 H LEU 22 H LEU 22 -8.361 3.608 6.711 179 HA LEU 22 HA LEU 22 -10.248 3.778 8.971 180 HB2 LEU 22 2HB LEU 22 -10.610 3.376 5.977 181 HB3 LEU 22 3HB LEU 22 -11.938 3.197 7.117 182 HG LEU 22 HG LEU 22 -10.344 5.755 6.705 183 HD11 LEU 22 1HD1 LEU 22 -12.358 6.614 5.603 184 HD12 LEU 22 2HD1 LEU 22 -13.126 5.030 5.743 185 HD13 LEU 22 3HD1 LEU 22 -11.687 5.233 4.740 186 HD21 LEU 22 3HD2 LEU 22 -12.836 5.236 8.367 187 HD22 LEU 22 1HD2 LEU 22 -12.102 6.816 8.072 188 HD23 LEU 22 2HD2 LEU 22 -11.220 5.595 8.983 189 H THR 23 H THR 23 -11.146 2.030 9.880 190 HA THR 23 HA THR 23 -10.032 -0.580 9.614 191 HB THR 23 HB THR 23 -11.887 -1.198 11.255 192 HG1 THR 23 HG1 THR 23 -13.394 0.446 10.494 193 HG21 THR 23 3HG2 THR 23 -11.027 0.157 13.136 194 HG22 THR 23 1HG2 THR 23 -10.277 1.283 12.003 195 HG23 THR 23 2HG2 THR 23 -9.702 -0.383 12.106 196 H THR 24 H THR 24 -10.761 -2.314 8.416 197 HA THR 24 HA THR 24 -13.153 -1.919 6.704 198 HB THR 24 HB THR 24 -11.905 -3.303 4.988 199 HG1 THR 24 HG1 THR 24 -9.745 -3.725 5.305 200 HG21 THR 24 3HG2 THR 24 -11.915 -0.850 4.748 201 HG22 THR 24 1HG2 THR 24 -10.371 -1.528 4.226 202 HG23 THR 24 2HG2 THR 24 -10.497 -0.729 5.795 203 HA PRO 25 HA PRO 25 -14.356 -6.049 8.196 204 HB2 PRO 25 2HB PRO 25 -16.068 -6.427 5.823 205 HB3 PRO 25 3HB PRO 25 -16.549 -6.075 7.493 206 HG2 PRO 25 2HG PRO 25 -16.866 -4.297 5.457 207 HG3 PRO 25 3HG PRO 25 -16.624 -3.796 7.148 208 HD2 PRO 25 2HD PRO 25 -14.595 -3.950 4.911 209 HD3 PRO 25 3HD PRO 25 -14.851 -2.663 6.117 210 H ASN 26 H ASN 26 -12.266 -5.502 5.794 211 HA ASN 26 HA ASN 26 -12.233 -8.096 4.460 212 HB2 ASN 26 2HB ASN 26 -10.356 -5.706 4.146 213 HB3 ASN 26 3HB ASN 26 -10.432 -7.112 3.090 214 HD21 ASN 26 1HD2 ASN 26 -10.914 -5.977 1.225 215 HD22 ASN 26 2HD2 ASN 26 -12.392 -5.117 0.966 216 H GLU 27 H GLU 27 -11.018 -9.742 5.215 217 HA GLU 27 HA GLU 27 -9.401 -9.459 7.592 218 HB2 GLU 27 2HB GLU 27 -10.869 -11.407 7.322 219 HB3 GLU 27 3HB GLU 27 -10.020 -11.891 5.858 220 HG2 GLU 27 2HG GLU 27 -7.982 -12.324 7.178 221 HG3 GLU 27 3HG GLU 27 -8.814 -11.803 8.642 222 H ASN 28 H ASN 28 -7.226 -9.435 7.760 223 HA ASN 28 HA ASN 28 -5.085 -8.928 7.245 224 HB2 ASN 28 2HB ASN 28 -5.535 -11.059 5.120 225 HB3 ASN 28 3HB ASN 28 -3.959 -10.351 5.455 226 HD21 ASN 28 1HD2 ASN 28 -6.414 -12.526 6.599 227 HD22 ASN 28 2HD2 ASN 28 -5.494 -13.194 7.899 228 H ALA 29 H ALA 29 -7.236 -7.347 5.970 229 HA ALA 29 HA ALA 29 -5.565 -5.917 4.023 230 HB1 ALA 29 3HB ALA 29 -6.990 -7.345 2.640 231 HB2 ALA 29 1HB ALA 29 -7.472 -5.659 2.462 232 HB3 ALA 29 2HB ALA 29 -8.431 -6.748 3.462 233 H LEU 30 H LEU 30 -5.856 -3.663 4.082 234 HA LEU 30 HA LEU 30 -7.877 -2.502 5.882 235 HB2 LEU 30 2HB LEU 30 -5.914 -3.231 7.306 236 HB3 LEU 30 3HB LEU 30 -4.892 -2.141 6.388 237 HG LEU 30 HG LEU 30 -6.262 -0.205 7.237 238 HD11 LEU 30 1HD1 LEU 30 -8.367 -1.383 7.675 239 HD12 LEU 30 2HD1 LEU 30 -7.798 -0.543 9.114 240 HD13 LEU 30 3HD1 LEU 30 -7.602 -2.292 8.983 241 HD21 LEU 30 3HD2 LEU 30 -4.157 -0.842 8.343 242 HD22 LEU 30 1HD2 LEU 30 -5.032 -1.959 9.396 243 HD23 LEU 30 2HD2 LEU 30 -5.323 -0.220 9.508 244 H LYS 31 H LYS 31 -8.341 -0.367 5.394 245 HA LYS 31 HA LYS 31 -7.380 0.589 2.816 246 HB2 LYS 31 2HB LYS 31 -9.800 0.539 3.271 247 HB3 LYS 31 3HB LYS 31 -9.595 1.621 4.643 248 HG2 LYS 31 2HG LYS 31 -8.957 3.454 3.164 249 HG3 LYS 31 3HG LYS 31 -8.989 2.378 1.760 250 HD2 LYS 31 2HD LYS 31 -11.446 2.018 2.148 251 HD3 LYS 31 3HD LYS 31 -11.379 3.174 3.481 252 HE2 LYS 31 2HE LYS 31 -10.868 4.987 1.981 253 HE3 LYS 31 3HE LYS 31 -10.589 3.881 0.642 254 HZ1 LYS 31 3HZ LYS 31 -13.217 4.326 1.961 255 HZ2 LYS 31 1HZ LYS 31 -12.924 3.311 0.637 256 HZ3 LYS 31 2HZ LYS 31 -12.736 4.982 0.478 257 H PHE 32 H PHE 32 -5.787 2.001 2.635 258 HA PHE 32 HA PHE 32 -5.303 4.125 4.633 259 HB2 PHE 32 2HB PHE 32 -3.476 2.950 2.472 260 HB3 PHE 32 3HB PHE 32 -3.059 4.345 3.466 261 HD1 PHE 32 HD2 PHE 32 -3.870 0.692 3.639 262 HD2 PHE 32 HD1 PHE 32 -2.128 4.043 5.648 263 HE1 PHE 32 HE2 PHE 32 -2.992 -0.805 5.384 264 HE2 PHE 32 HE1 PHE 32 -1.263 2.537 7.387 265 HZ PHE 32 HZ PHE 32 -1.691 0.114 7.258 266 H LEU 33 H LEU 33 -6.225 5.956 4.048 267 HA LEU 33 HA LEU 33 -7.190 6.337 1.284 268 HB2 LEU 33 2HB LEU 33 -8.944 6.012 2.974 269 HB3 LEU 33 3HB LEU 33 -8.265 7.279 3.980 270 HG LEU 33 HG LEU 33 -8.914 8.979 2.290 271 HD11 LEU 33 1HD1 LEU 33 -8.781 7.644 0.259 272 HD12 LEU 33 2HD1 LEU 33 -10.366 8.395 0.407 273 HD13 LEU 33 3HD1 LEU 33 -10.168 6.680 0.774 274 HD21 LEU 33 3HD2 LEU 33 -11.202 7.180 3.161 275 HD22 LEU 33 1HD2 LEU 33 -11.353 8.864 2.648 276 HD23 LEU 33 2HD2 LEU 33 -10.462 8.468 4.115 277 H SER 34 H SER 34 -6.427 8.042 0.171 278 HA SER 34 HA SER 34 -4.672 10.024 1.310 279 HB2 SER 34 2HB SER 34 -5.901 9.835 -1.482 280 HB3 SER 34 3HB SER 34 -4.567 10.897 -1.012 281 HG SER 34 HG SER 34 -3.323 9.069 -0.591 282 H THR 35 H THR 35 -5.600 11.491 2.624 283 HA THR 35 HA THR 35 -8.192 12.760 1.892 284 HB THR 35 HB THR 35 -8.298 13.292 4.411 285 HG1 THR 35 HG1 THR 35 -5.943 12.646 4.610 286 HG21 THR 35 3HG2 THR 35 -9.151 11.064 5.025 287 HG22 THR 35 1HG2 THR 35 -8.366 10.359 3.606 288 HG23 THR 35 2HG2 THR 35 -9.688 11.512 3.407 289 H ASP 36 H ASP 36 -5.136 13.377 1.466 290 HA ASP 36 HA ASP 36 -4.735 15.939 2.702 291 HB2 ASP 36 2HB ASP 36 -2.659 15.987 1.506 292 HB3 ASP 36 3HB ASP 36 -2.902 14.319 2.012 293 H GLY 37 H GLY 37 -6.175 14.789 -0.225 294 HA2 GLY 37 2HA GLY 37 -7.744 16.570 -1.195 295 HA3 GLY 37 3HA GLY 37 -6.252 17.473 -1.487 296 H GLU 38 H GLU 38 -4.617 15.218 -2.090 297 HA GLU 38 HA GLU 38 -5.368 14.718 -4.830 298 HB2 GLU 38 2HB GLU 38 -2.957 13.962 -3.142 299 HB3 GLU 38 3HB GLU 38 -3.209 13.224 -4.722 300 HG2 GLU 38 2HG GLU 38 -2.805 16.164 -4.132 301 HG3 GLU 38 3HG GLU 38 -1.698 15.077 -4.967 302 H MET 39 H MET 39 -5.438 12.665 -5.760 303 HA MET 39 HA MET 39 -6.269 10.384 -4.061 304 HB2 MET 39 2HB MET 39 -7.055 10.959 -6.971 305 HB3 MET 39 3HB MET 39 -7.605 9.600 -5.996 306 HG2 MET 39 2HG MET 39 -8.856 11.093 -4.543 307 HG3 MET 39 3HG MET 39 -8.209 12.502 -5.380 308 HE1 MET 39 3HE MET 39 -9.671 9.063 -6.777 309 HE2 MET 39 1HE MET 39 -11.309 9.574 -7.179 310 HE3 MET 39 2HE MET 39 -10.789 9.537 -5.496 311 H LEU 40 H LEU 40 -5.191 8.422 -4.536 312 HA LEU 40 HA LEU 40 -2.513 8.586 -5.275 313 HB2 LEU 40 2HB LEU 40 -4.339 6.164 -5.144 314 HB3 LEU 40 3HB LEU 40 -2.606 6.041 -5.392 315 HG LEU 40 HG LEU 40 -3.958 7.176 -2.912 316 HD11 LEU 40 1HD1 LEU 40 -2.451 4.573 -3.339 317 HD12 LEU 40 2HD1 LEU 40 -4.191 4.748 -3.103 318 HD13 LEU 40 3HD1 LEU 40 -3.084 5.167 -1.798 319 HD21 LEU 40 3HD2 LEU 40 -1.817 8.322 -3.337 320 HD22 LEU 40 1HD2 LEU 40 -0.990 6.766 -3.472 321 HD23 LEU 40 2HD2 LEU 40 -1.694 7.269 -1.931 322 H GLN 41 H GLN 41 -5.248 7.488 -7.188 323 HA GLN 41 HA GLN 41 -3.701 7.686 -9.692 324 HB2 GLN 41 2HB GLN 41 -3.848 5.302 -8.932 325 HB3 GLN 41 3HB GLN 41 -5.603 5.408 -8.922 326 HG2 GLN 41 2HG GLN 41 -5.677 5.605 -11.318 327 HG3 GLN 41 3HG GLN 41 -3.928 5.816 -11.417 328 HE21 GLN 41 1HE2 GLN 41 -2.595 4.021 -11.139 329 HE22 GLN 41 2HE2 GLN 41 -3.177 2.398 -11.223 330 H THR 42 H THR 42 -4.920 8.381 -11.463 331 HA THR 42 HA THR 42 -7.091 10.113 -10.927 332 HB THR 42 HB THR 42 -6.265 9.114 -13.698 333 HG1 THR 42 HG1 THR 42 -5.122 11.096 -12.001 334 HG21 THR 42 3HG2 THR 42 -8.313 10.503 -13.663 335 HG22 THR 42 1HG2 THR 42 -6.976 11.389 -14.408 336 HG23 THR 42 2HG2 THR 42 -7.459 11.745 -12.748 337 H ARG 43 H ARG 43 -9.314 9.944 -11.767 338 HA ARG 43 HA ARG 43 -10.453 7.752 -10.472 339 HB2 ARG 43 2HB ARG 43 -11.765 9.901 -12.167 340 HB3 ARG 43 3HB ARG 43 -12.646 8.802 -11.107 341 HG2 ARG 43 2HG ARG 43 -11.461 9.697 -9.150 342 HG3 ARG 43 3HG ARG 43 -10.506 10.754 -10.188 343 HD2 ARG 43 2HD ARG 43 -12.532 11.978 -10.839 344 HD3 ARG 43 3HD ARG 43 -13.522 10.894 -9.854 345 HE ARG 43 HE ARG 43 -11.601 11.970 -8.163 346 HH11 ARG 43 1HH1 ARG 43 -14.260 13.212 -10.120 347 HH12 ARG 43 2HH1 ARG 43 -14.565 14.555 -9.068 348 HH21 ARG 43 1HH2 ARG 43 -12.045 13.692 -6.769 349 HH22 ARG 43 2HH2 ARG 43 -13.298 14.828 -7.158 350 H GLY 44 H GLY 44 -9.551 7.718 -13.752 351 HA2 GLY 44 2HA GLY 44 -11.339 5.502 -14.435 352 HA3 GLY 44 3HA GLY 44 -10.001 6.125 -15.401 353 H SER 45 H SER 45 -10.312 4.761 -12.097 354 HA SER 45 HA SER 45 -7.818 3.231 -12.446 355 HB2 SER 45 2HB SER 45 -9.464 3.739 -9.920 356 HB3 SER 45 3HB SER 45 -7.846 3.037 -9.994 357 HG SER 45 HG SER 45 -8.639 5.683 -10.609 358 H LYS 46 H LYS 46 -7.755 1.072 -11.448 359 HA LYS 46 HA LYS 46 -10.315 -0.444 -11.394 360 HB2 LYS 46 2HB LYS 46 -7.517 -1.442 -12.128 361 HB3 LYS 46 3HB LYS 46 -8.926 -2.482 -11.912 362 HG2 LYS 46 2HG LYS 46 -10.043 -1.286 -13.795 363 HG3 LYS 46 3HG LYS 46 -8.559 -0.356 -14.041 364 HD2 LYS 46 2HD LYS 46 -7.317 -2.405 -14.561 365 HD3 LYS 46 3HD LYS 46 -8.735 -3.394 -14.198 366 HE2 LYS 46 2HE LYS 46 -9.937 -2.333 -16.099 367 HE3 LYS 46 3HE LYS 46 -8.490 -1.391 -16.473 368 HZ1 LYS 46 3HZ LYS 46 -8.657 -3.353 -17.866 369 HZ2 LYS 46 1HZ LYS 46 -8.674 -4.360 -16.510 370 HZ3 LYS 46 2HZ LYS 46 -7.295 -3.458 -16.874 371 H SER 47 H SER 47 -9.973 -2.456 -9.878 372 HA SER 47 HA SER 47 -8.583 -1.717 -7.407 373 HB2 SER 47 2HB SER 47 -9.553 -3.936 -6.591 374 HB3 SER 47 3HB SER 47 -10.757 -2.748 -7.093 375 HG SER 47 HG SER 47 -9.816 -4.603 -8.985 376 H ILE 48 H ILE 48 -6.504 -1.654 -8.501 377 HA ILE 48 HA ILE 48 -5.573 -3.860 -10.085 378 HB ILE 48 HB ILE 48 -3.953 -1.496 -9.029 379 HG12 ILE 48 2HG1 ILE 48 -5.390 -1.774 -11.706 380 HG13 ILE 48 3HG1 ILE 48 -5.947 -0.782 -10.366 381 HG21 ILE 48 1HG2 ILE 48 -2.407 -1.969 -10.909 382 HG22 ILE 48 2HG2 ILE 48 -3.366 -3.385 -11.341 383 HG23 ILE 48 3HG2 ILE 48 -2.513 -3.337 -9.797 384 HD11 ILE 48 3HD1 ILE 48 -3.968 0.622 -10.571 385 HD12 ILE 48 1HD1 ILE 48 -4.882 0.547 -12.075 386 HD13 ILE 48 2HD1 ILE 48 -3.390 -0.377 -11.909 387 H VAL 49 H VAL 49 -5.104 -5.733 -9.105 388 HA VAL 49 HA VAL 49 -4.013 -5.792 -6.393 389 HB VAL 49 HB VAL 49 -4.889 -8.115 -8.181 390 HG11 VAL 49 1HG1 VAL 49 -3.241 -8.827 -6.509 391 HG12 VAL 49 2HG1 VAL 49 -4.836 -9.457 -6.099 392 HG13 VAL 49 3HG1 VAL 49 -4.185 -8.072 -5.220 393 HG21 VAL 49 3HG2 VAL 49 -6.909 -8.219 -6.754 394 HG22 VAL 49 1HG2 VAL 49 -6.798 -6.673 -7.600 395 HG23 VAL 49 2HG2 VAL 49 -6.380 -6.772 -5.888 396 H ILE 50 H ILE 50 -1.877 -5.539 -6.274 397 HA ILE 50 HA ILE 50 -0.073 -6.746 -8.303 398 HB ILE 50 HB ILE 50 0.522 -4.511 -6.288 399 HG12 ILE 50 2HG1 ILE 50 0.065 -4.333 -9.301 400 HG13 ILE 50 3HG1 ILE 50 -0.986 -3.684 -8.048 401 HG21 ILE 50 1HG2 ILE 50 2.668 -4.266 -7.501 402 HG22 ILE 50 2HG2 ILE 50 2.258 -5.648 -8.516 403 HG23 ILE 50 3HG2 ILE 50 2.507 -5.869 -6.783 404 HD11 ILE 50 3HD1 ILE 50 0.341 -1.951 -9.086 405 HD12 ILE 50 1HD1 ILE 50 1.831 -2.769 -8.628 406 HD13 ILE 50 2HD1 ILE 50 0.760 -2.112 -7.383 407 H LYS 51 H LYS 51 0.630 -8.735 -7.516 408 HA LYS 51 HA LYS 51 1.076 -9.074 -4.636 409 HB2 LYS 51 2HB LYS 51 1.490 -11.049 -6.926 410 HB3 LYS 51 3HB LYS 51 1.709 -11.414 -5.212 411 HG2 LYS 51 2HG LYS 51 -0.748 -10.738 -4.895 412 HG3 LYS 51 3HG LYS 51 -0.866 -10.738 -6.654 413 HD2 LYS 51 2HD LYS 51 -1.681 -12.863 -5.862 414 HD3 LYS 51 3HD LYS 51 -0.127 -13.152 -6.647 415 HE2 LYS 51 2HE LYS 51 0.969 -13.230 -4.431 416 HE3 LYS 51 3HE LYS 51 -0.584 -12.920 -3.650 417 HZ1 LYS 51 3HZ LYS 51 0.005 -15.294 -5.345 418 HZ2 LYS 51 1HZ LYS 51 -1.415 -15.005 -4.472 419 HZ3 LYS 51 2HZ LYS 51 0.040 -15.278 -3.659 420 H ASN 52 H ASN 52 3.141 -9.883 -3.889 421 HA ASN 52 HA ASN 52 5.335 -8.265 -4.473 422 HB2 ASN 52 2HB ASN 52 6.580 -9.751 -2.931 423 HB3 ASN 52 3HB ASN 52 4.985 -9.366 -2.299 424 HD21 ASN 52 1HD2 ASN 52 6.650 -11.551 -1.538 425 HD22 ASN 52 2HD2 ASN 52 5.812 -13.015 -1.911 426 H THR 53 H THR 53 4.334 -11.238 -5.959 427 HA THR 53 HA THR 53 6.906 -11.892 -7.128 428 HB THR 53 HB THR 53 5.212 -13.637 -6.448 429 HG1 THR 53 HG1 THR 53 6.729 -14.417 -7.773 430 HG21 THR 53 3HG2 THR 53 3.326 -14.154 -7.932 431 HG22 THR 53 1HG2 THR 53 3.718 -12.774 -8.963 432 HG23 THR 53 2HG2 THR 53 3.161 -12.514 -7.308 433 H ASP 54 H ASP 54 4.276 -9.841 -7.906 434 HA ASP 54 HA ASP 54 4.715 -9.803 -10.804 435 HB2 ASP 54 2HB ASP 54 2.658 -8.491 -8.979 436 HB3 ASP 54 3HB ASP 54 2.820 -8.006 -10.665 437 H GLU 55 H GLU 55 6.994 -9.079 -10.252 438 HA GLU 55 HA GLU 55 7.611 -6.457 -9.399 439 HB2 GLU 55 2HB GLU 55 9.405 -8.041 -9.491 440 HB3 GLU 55 3HB GLU 55 9.101 -8.419 -11.180 441 HG2 GLU 55 2HG GLU 55 9.938 -6.191 -11.843 442 HG3 GLU 55 3HG GLU 55 10.216 -5.769 -10.158 443 H ASN 56 H ASN 56 6.436 -7.671 -12.464 444 HA ASN 56 HA ASN 56 7.073 -5.517 -14.150 445 HB2 ASN 56 2HB ASN 56 5.312 -6.345 -15.652 446 HB3 ASN 56 3HB ASN 56 6.243 -7.689 -15.006 447 HD21 ASN 56 1HD2 ASN 56 5.227 -9.054 -13.408 448 HD22 ASN 56 2HD2 ASN 56 3.507 -9.141 -13.289 449 H LEU 57 H LEU 57 4.292 -5.996 -11.988 450 HA LEU 57 HA LEU 57 3.006 -3.494 -12.648 451 HB2 LEU 57 2HB LEU 57 2.517 -5.457 -10.380 452 HB3 LEU 57 3HB LEU 57 1.456 -4.125 -10.802 453 HG LEU 57 HG LEU 57 2.029 -6.547 -12.558 454 HD11 LEU 57 1HD1 LEU 57 -0.282 -7.213 -12.055 455 HD12 LEU 57 2HD1 LEU 57 -0.451 -5.838 -10.959 456 HD13 LEU 57 3HD1 LEU 57 0.696 -7.127 -10.590 457 HD21 LEU 57 3HD2 LEU 57 0.095 -4.249 -13.009 458 HD22 LEU 57 1HD2 LEU 57 0.242 -5.694 -14.013 459 HD23 LEU 57 2HD2 LEU 57 1.580 -4.552 -13.914 460 H ILE 58 H ILE 58 5.097 -4.691 -10.071 461 HA ILE 58 HA ILE 58 4.974 -2.507 -8.259 462 HB ILE 58 HB ILE 58 7.257 -4.489 -8.759 463 HG12 ILE 58 2HG1 ILE 58 5.076 -4.598 -6.616 464 HG13 ILE 58 3HG1 ILE 58 5.058 -5.535 -8.103 465 HG21 ILE 58 1HG2 ILE 58 8.100 -2.539 -7.537 466 HG22 ILE 58 2HG2 ILE 58 8.050 -3.947 -6.479 467 HG23 ILE 58 3HG2 ILE 58 6.808 -2.700 -6.344 468 HD11 ILE 58 3HD1 ILE 58 7.101 -6.687 -7.400 469 HD12 ILE 58 1HD1 ILE 58 5.785 -6.885 -6.243 470 HD13 ILE 58 2HD1 ILE 58 7.098 -5.759 -5.897 471 H ASN 59 H ASN 59 6.929 -3.182 -11.106 472 HA ASN 59 HA ASN 59 8.764 -1.060 -11.055 473 HB2 ASN 59 2HB ASN 59 8.594 -3.229 -12.545 474 HB3 ASN 59 3HB ASN 59 7.677 -2.219 -13.652 475 HD21 ASN 59 1HD2 ASN 59 10.303 -3.577 -13.799 476 HD22 ASN 59 2HD2 ASN 59 11.431 -2.367 -14.282 477 H HIS 60 H HIS 60 5.400 -1.134 -12.035 478 HA HIS 60 HA HIS 60 5.385 1.469 -13.333 479 HB2 HIS 60 2HB HIS 60 3.026 -0.238 -12.406 480 HB3 HIS 60 3HB HIS 60 2.944 1.147 -13.489 481 HD1 HIS 60 HD1 HIS 60 2.148 -1.953 -13.984 482 HD2 HIS 60 HD2 HIS 60 5.370 0.136 -15.569 483 HE1 HIS 60 HE1 HIS 60 2.748 -3.153 -16.100 484 HE2 HIS 60 HE2 HIS 60 4.556 -1.751 -17.139 485 H SER 61 H SER 61 5.577 0.567 -10.136 486 HA SER 61 HA SER 61 4.156 2.949 -9.143 487 HB2 SER 61 2HB SER 61 2.631 1.009 -8.924 488 HB3 SER 61 3HB SER 61 3.867 0.123 -8.031 489 HG SER 61 HG SER 61 2.700 2.589 -7.224 490 H LYS 62 H LYS 62 6.002 4.052 -8.583 491 HA LYS 62 HA LYS 62 8.216 3.196 -7.143 492 HB2 LYS 62 2HB LYS 62 8.094 5.449 -8.101 493 HB3 LYS 62 3HB LYS 62 6.748 5.874 -7.059 494 HG2 LYS 62 2HG LYS 62 8.869 6.935 -6.348 495 HG3 LYS 62 3HG LYS 62 8.191 5.889 -5.101 496 HD2 LYS 62 2HD LYS 62 10.612 5.607 -5.212 497 HD3 LYS 62 3HD LYS 62 9.814 4.118 -5.710 498 HE2 LYS 62 2HE LYS 62 10.207 4.765 -8.098 499 HE3 LYS 62 3HE LYS 62 11.101 6.182 -7.533 500 HZ1 LYS 62 3HZ LYS 62 12.651 4.678 -6.403 501 HZ2 LYS 62 1HZ LYS 62 12.601 4.375 -8.067 502 HZ3 LYS 62 2HZ LYS 62 11.804 3.339 -6.993 503 H LEU 63 H LEU 63 4.977 4.017 -6.006 504 HA LEU 63 HA LEU 63 5.436 3.970 -3.225 505 HB2 LEU 63 2HB LEU 63 3.402 4.925 -4.311 506 HB3 LEU 63 3HB LEU 63 2.871 3.304 -4.722 507 HG LEU 63 HG LEU 63 2.564 2.754 -2.342 508 HD11 LEU 63 1HD1 LEU 63 3.552 5.554 -1.735 509 HD12 LEU 63 2HD1 LEU 63 4.377 4.039 -1.354 510 HD13 LEU 63 3HD1 LEU 63 2.850 4.427 -0.570 511 HD21 LEU 63 3HD2 LEU 63 0.708 4.280 -1.788 512 HD22 LEU 63 1HD2 LEU 63 0.659 3.787 -3.478 513 HD23 LEU 63 2HD2 LEU 63 1.239 5.398 -3.047 514 H ALA 64 H ALA 64 4.472 1.349 -5.500 515 HA ALA 64 HA ALA 64 4.095 -0.694 -3.571 516 HB1 ALA 64 3HB ALA 64 4.257 -2.262 -5.460 517 HB2 ALA 64 1HB ALA 64 4.903 -0.974 -6.489 518 HB3 ALA 64 2HB ALA 64 3.251 -0.876 -5.881 519 H GLN 65 H GLN 65 6.897 0.290 -5.514 520 HA GLN 65 HA GLN 65 8.793 -1.608 -4.786 521 HB2 GLN 65 2HB GLN 65 9.193 1.369 -5.354 522 HB3 GLN 65 3HB GLN 65 10.498 0.183 -5.310 523 HG2 GLN 65 2HG GLN 65 9.625 -0.965 -7.235 524 HG3 GLN 65 3HG GLN 65 8.139 -0.020 -7.197 525 HE21 GLN 65 1HE2 GLN 65 8.382 0.694 -9.315 526 HE22 GLN 65 2HE2 GLN 65 9.599 1.825 -9.796 527 H GLN 66 H GLN 66 8.028 1.490 -3.209 528 HA GLN 66 HA GLN 66 9.798 1.323 -1.039 529 HB2 GLN 66 2HB GLN 66 7.187 2.851 -1.397 530 HB3 GLN 66 3HB GLN 66 8.248 3.067 -0.012 531 HG2 GLN 66 2HG GLN 66 9.017 3.583 -2.897 532 HG3 GLN 66 3HG GLN 66 8.563 4.817 -1.723 533 HE21 GLN 66 1HE2 GLN 66 11.027 2.520 -2.653 534 HE22 GLN 66 2HE2 GLN 66 12.294 3.184 -1.686 535 H ILE 67 H ILE 67 6.400 0.221 -1.321 536 HA ILE 67 HA ILE 67 5.955 -0.370 1.404 537 HB ILE 67 HB ILE 67 4.621 -1.395 -1.139 538 HG12 ILE 67 2HG1 ILE 67 3.607 0.576 0.967 539 HG13 ILE 67 3HG1 ILE 67 4.377 1.050 -0.544 540 HG21 ILE 67 1HG2 ILE 67 2.757 -2.243 0.286 541 HG22 ILE 67 2HG2 ILE 67 3.728 -1.923 1.721 542 HG23 ILE 67 3HG2 ILE 67 4.262 -3.125 0.548 543 HD11 ILE 67 3HD1 ILE 67 1.774 -0.426 -0.243 544 HD12 ILE 67 1HD1 ILE 67 2.562 -0.057 -1.782 545 HD13 ILE 67 2HD1 ILE 67 2.009 1.251 -0.737 546 H PHE 68 H PHE 68 6.794 -2.546 -1.323 547 HA PHE 68 HA PHE 68 7.067 -4.872 0.299 548 HB2 PHE 68 2HB PHE 68 8.033 -4.286 -2.535 549 HB3 PHE 68 3HB PHE 68 8.160 -5.868 -1.767 550 HD1 PHE 68 HD1 PHE 68 5.811 -6.687 -0.642 551 HD2 PHE 68 HD2 PHE 68 6.161 -4.011 -3.963 552 HE1 PHE 68 HE1 PHE 68 3.532 -7.278 -1.369 553 HE2 PHE 68 HE2 PHE 68 3.879 -4.612 -4.679 554 HZ PHE 68 HZ PHE 68 2.565 -6.246 -3.383 555 H LEU 69 H LEU 69 9.306 -2.304 -0.606 556 HA LEU 69 HA LEU 69 11.748 -3.569 0.080 557 HB2 LEU 69 2HB LEU 69 11.616 -1.488 -1.253 558 HB3 LEU 69 3HB LEU 69 10.956 -0.627 0.123 559 HG LEU 69 HG LEU 69 13.158 -0.967 1.324 560 HD11 LEU 69 1HD1 LEU 69 13.973 -2.946 0.146 561 HD12 LEU 69 2HD1 LEU 69 15.139 -1.631 0.025 562 HD13 LEU 69 3HD1 LEU 69 14.113 -2.025 -1.356 563 HD21 LEU 69 3HD2 LEU 69 12.646 1.153 0.175 564 HD22 LEU 69 1HD2 LEU 69 13.329 0.519 -1.326 565 HD23 LEU 69 2HD2 LEU 69 14.365 0.780 0.080 566 H GLN 70 H GLN 70 9.726 -1.258 1.931 567 HA GLN 70 HA GLN 70 11.334 -1.528 4.322 568 HB2 GLN 70 2HB GLN 70 8.801 0.063 3.742 569 HB3 GLN 70 3HB GLN 70 9.634 0.092 5.298 570 HG2 GLN 70 2HG GLN 70 11.678 0.947 4.157 571 HG3 GLN 70 3HG GLN 70 10.782 0.982 2.636 572 HE21 GLN 70 1HE2 GLN 70 11.160 3.214 2.466 573 HE22 GLN 70 2HE2 GLN 70 10.271 4.355 3.407 574 H CYS 71 H CYS 71 8.380 -2.956 3.124 575 HA CYS 71 HA CYS 71 8.037 -4.451 5.637 576 HB2 CYS 71 2HB CYS 71 5.797 -3.168 4.007 577 HB3 CYS 71 3HB CYS 71 5.568 -4.255 5.376 578 HG CYS 71 HG CYS 71 7.512 -1.745 6.261 579 HA PRO 72 HA PRO 72 8.359 -7.332 1.988 580 HB2 PRO 72 2HB PRO 72 9.887 -9.228 3.200 581 HB3 PRO 72 3HB PRO 72 10.591 -7.709 2.603 582 HG2 PRO 72 2HG PRO 72 9.765 -8.411 5.412 583 HG3 PRO 72 3HG PRO 72 11.282 -7.675 4.840 584 HD2 PRO 72 2HD PRO 72 9.246 -6.176 5.858 585 HD3 PRO 72 3HD PRO 72 10.323 -5.569 4.575 586 H GLY 73 H GLY 73 6.885 -7.451 5.041 587 HA2 GLY 73 2HA GLY 73 5.845 -10.137 4.981 588 HA3 GLY 73 3HA GLY 73 5.371 -8.841 6.066 589 H VAL 74 H VAL 74 4.979 -7.176 3.492 590 HA VAL 74 HA VAL 74 2.188 -7.703 3.069 591 HB VAL 74 HB VAL 74 4.086 -5.855 1.536 592 HG11 VAL 74 1HG1 VAL 74 1.046 -5.900 1.569 593 HG12 VAL 74 2HG1 VAL 74 2.088 -6.346 0.215 594 HG13 VAL 74 3HG1 VAL 74 2.050 -4.677 0.782 595 HG21 VAL 74 3HG2 VAL 74 3.981 -5.252 3.910 596 HG22 VAL 74 1HG2 VAL 74 2.215 -5.217 3.852 597 HG23 VAL 74 2HG2 VAL 74 3.156 -4.035 2.934 598 H GLU 75 H GLU 75 1.381 -9.149 1.692 599 HA GLU 75 HA GLU 75 3.127 -10.610 -0.166 600 HB2 GLU 75 2HB GLU 75 1.303 -12.247 -0.301 601 HB3 GLU 75 3HB GLU 75 1.682 -11.905 1.385 602 HG2 GLU 75 2HG GLU 75 -0.275 -10.491 1.602 603 HG3 GLU 75 3HG GLU 75 -0.626 -10.632 -0.118 604 H SER 76 H SER 76 0.526 -8.284 -0.195 605 HA SER 76 HA SER 76 0.564 -7.982 -3.050 606 HB2 SER 76 2HB SER 76 -0.852 -10.026 -2.807 607 HB3 SER 76 3HB SER 76 -1.960 -9.141 -1.758 608 HG SER 76 HG SER 76 -1.348 -8.501 -4.465 609 H LEU 77 H LEU 77 -0.912 -6.323 -3.776 610 HA LEU 77 HA LEU 77 -1.811 -4.377 -1.733 611 HB2 LEU 77 2HB LEU 77 -0.568 -3.765 -4.466 612 HB3 LEU 77 3HB LEU 77 -1.132 -2.576 -3.299 613 HG LEU 77 HG LEU 77 1.255 -4.427 -2.941 614 HD11 LEU 77 1HD1 LEU 77 1.684 -2.658 -4.579 615 HD12 LEU 77 2HD1 LEU 77 2.615 -2.402 -3.107 616 HD13 LEU 77 3HD1 LEU 77 1.173 -1.429 -3.416 617 HD21 LEU 77 3HD2 LEU 77 1.736 -3.165 -0.907 618 HD22 LEU 77 1HD2 LEU 77 0.183 -3.988 -0.795 619 HD23 LEU 77 2HD2 LEU 77 0.239 -2.249 -1.100 620 H MET 78 H MET 78 -3.783 -3.341 -2.269 621 HA MET 78 HA MET 78 -4.988 -3.946 -4.912 622 HB2 MET 78 2HB MET 78 -6.257 -5.125 -3.142 623 HB3 MET 78 3HB MET 78 -6.423 -3.634 -2.231 624 HG2 MET 78 2HG MET 78 -7.846 -2.680 -3.966 625 HG3 MET 78 3HG MET 78 -7.606 -4.104 -4.982 626 HE1 MET 78 3HE MET 78 -7.821 -6.530 -2.894 627 HE2 MET 78 1HE MET 78 -8.664 -6.511 -4.444 628 HE3 MET 78 2HE MET 78 -9.550 -6.872 -2.964 629 H ILE 79 H ILE 79 -4.657 -2.144 -6.004 630 HA ILE 79 HA ILE 79 -4.386 0.463 -4.718 631 HB ILE 79 HB ILE 79 -4.009 -0.427 -7.620 632 HG12 ILE 79 2HG1 ILE 79 -2.329 -1.425 -6.043 633 HG13 ILE 79 3HG1 ILE 79 -1.593 -0.350 -7.221 634 HG21 ILE 79 1HG2 ILE 79 -3.347 2.256 -6.354 635 HG22 ILE 79 2HG2 ILE 79 -4.577 1.932 -7.584 636 HG23 ILE 79 3HG2 ILE 79 -2.868 1.748 -7.979 637 HD11 ILE 79 3HD1 ILE 79 -1.404 1.389 -5.529 638 HD12 ILE 79 1HD1 ILE 79 -0.616 -0.100 -5.014 639 HD13 ILE 79 2HD1 ILE 79 -2.188 0.336 -4.353 640 H GLY 80 H GLY 80 -5.981 1.982 -4.803 641 HA2 GLY 80 2HA GLY 80 -8.266 1.611 -6.665 642 HA3 GLY 80 3HA GLY 80 -8.426 2.237 -5.023 643 H ASP 81 H ASP 81 -9.483 3.922 -6.441 644 HA ASP 81 HA ASP 81 -7.971 5.776 -7.974 645 HB2 ASP 81 2HB ASP 81 -10.571 6.364 -6.464 646 HB3 ASP 81 3HB ASP 81 -9.944 7.220 -7.868 647 H ASP 82 H ASP 82 -9.224 5.884 -4.680 648 HA ASP 82 HA ASP 82 -7.460 8.162 -3.966 649 HB2 ASP 82 2HB ASP 82 -9.353 8.733 -2.333 650 HB3 ASP 82 3HB ASP 82 -9.735 8.940 -4.036 651 H PHE 83 H PHE 83 -7.628 4.914 -3.500 652 HA PHE 83 HA PHE 83 -6.735 5.051 -0.701 653 HB2 PHE 83 2HB PHE 83 -8.249 3.267 0.012 654 HB3 PHE 83 3HB PHE 83 -9.173 4.627 -0.608 655 HD1 PHE 83 HD2 PHE 83 -10.293 4.457 -2.864 656 HD2 PHE 83 HD1 PHE 83 -8.395 1.083 -1.035 657 HE1 PHE 83 HE2 PHE 83 -11.520 2.940 -4.366 658 HE2 PHE 83 HE1 PHE 83 -9.622 -0.419 -2.545 659 HZ PHE 83 HZ PHE 83 -11.186 0.505 -4.208 660 H LEU 84 H LEU 84 -5.861 3.034 0.063 661 HA LEU 84 HA LEU 84 -4.903 1.107 -1.935 662 HB2 LEU 84 2HB LEU 84 -3.061 2.628 -1.785 663 HB3 LEU 84 3HB LEU 84 -3.215 2.790 -0.045 664 HG LEU 84 HG LEU 84 -2.310 0.527 0.284 665 HD11 LEU 84 1HD1 LEU 84 -1.399 -0.808 -1.570 666 HD12 LEU 84 2HD1 LEU 84 -2.086 0.335 -2.725 667 HD13 LEU 84 3HD1 LEU 84 -3.149 -0.619 -1.695 668 HD21 LEU 84 3HD2 LEU 84 -0.770 2.433 0.154 669 HD22 LEU 84 1HD2 LEU 84 -0.582 2.177 -1.582 670 HD23 LEU 84 2HD2 LEU 84 -0.022 0.956 -0.437 671 H THR 85 H THR 85 -5.519 -0.796 -1.206 672 HA THR 85 HA THR 85 -5.950 -1.274 1.666 673 HB THR 85 HB THR 85 -6.940 -2.949 -0.687 674 HG1 THR 85 HG1 THR 85 -7.690 -0.591 -0.362 675 HG21 THR 85 3HG2 THR 85 -6.958 -4.150 1.476 676 HG22 THR 85 1HG2 THR 85 -8.603 -3.792 0.943 677 HG23 THR 85 2HG2 THR 85 -7.854 -2.820 2.210 678 H ILE 86 H ILE 86 -4.238 -2.212 2.623 679 HA ILE 86 HA ILE 86 -2.142 -3.530 1.064 680 HB ILE 86 HB ILE 86 -2.336 -2.863 4.046 681 HG12 ILE 86 2HG1 ILE 86 -2.190 -0.867 2.584 682 HG13 ILE 86 3HG1 ILE 86 -0.746 -1.051 3.571 683 HG21 ILE 86 1HG2 ILE 86 0.092 -3.350 4.180 684 HG22 ILE 86 2HG2 ILE 86 0.063 -3.939 2.515 685 HG23 ILE 86 3HG2 ILE 86 -0.852 -4.782 3.766 686 HD11 ILE 86 3HD1 ILE 86 0.438 -1.984 1.614 687 HD12 ILE 86 1HD1 ILE 86 -0.165 -0.349 1.348 688 HD13 ILE 86 2HD1 ILE 86 -1.015 -1.721 0.644 689 H ASN 87 H ASN 87 -1.988 -5.683 0.879 690 HA ASN 87 HA ASN 87 -3.558 -7.458 2.662 691 HB2 ASN 87 2HB ASN 87 -2.570 -8.012 -0.182 692 HB3 ASN 87 3HB ASN 87 -3.587 -9.068 0.796 693 HD21 ASN 87 1HD2 ASN 87 -3.484 -6.170 -1.128 694 HD22 ASN 87 2HD2 ASN 87 -5.191 -5.928 -1.227 695 H LYS 88 H LYS 88 -2.313 -8.621 4.052 696 HA LYS 88 HA LYS 88 0.530 -9.132 3.359 697 HB2 LYS 88 2HB LYS 88 1.394 -8.223 5.311 698 HB3 LYS 88 3HB LYS 88 0.097 -7.086 4.986 699 HG2 LYS 88 2HG LYS 88 -0.011 -9.373 6.976 700 HG3 LYS 88 3HG LYS 88 0.292 -7.692 7.382 701 HD2 LYS 88 2HD LYS 88 -1.985 -7.114 6.547 702 HD3 LYS 88 3HD LYS 88 -2.276 -8.826 6.214 703 HE2 LYS 88 2HE LYS 88 -1.772 -7.560 8.933 704 HE3 LYS 88 3HE LYS 88 -3.289 -8.244 8.350 705 HZ1 LYS 88 3HZ LYS 88 -0.781 -9.752 8.871 706 HZ2 LYS 88 1HZ LYS 88 -2.215 -10.424 8.277 707 HZ3 LYS 88 2HZ LYS 88 -2.172 -9.759 9.829 708 H ASP 89 H ASP 89 1.547 -10.676 4.933 709 HA ASP 89 HA ASP 89 0.055 -13.104 5.167 710 HB2 ASP 89 2HB ASP 89 2.421 -13.213 4.657 711 HB3 ASP 89 3HB ASP 89 2.837 -12.261 6.077 712 H ARG 90 H ARG 90 -0.478 -14.219 7.057 713 HA ARG 90 HA ARG 90 -1.838 -12.721 9.011 714 HB2 ARG 90 2HB ARG 90 -2.343 -14.933 10.056 715 HB3 ARG 90 3HB ARG 90 -2.642 -14.899 8.322 716 HG2 ARG 90 2HG ARG 90 -0.538 -16.101 7.908 717 HG3 ARG 90 3HG ARG 90 -0.189 -16.107 9.640 718 HD2 ARG 90 2HD ARG 90 -1.072 -18.273 8.983 719 HD3 ARG 90 3HD ARG 90 -2.242 -17.464 10.027 720 HE ARG 90 HE ARG 90 -2.735 -17.048 7.209 721 HH11 ARG 90 1HH1 ARG 90 -3.340 -19.291 9.879 722 HH12 ARG 90 2HH1 ARG 90 -4.748 -19.973 9.138 723 HH21 ARG 90 1HH2 ARG 90 -4.594 -17.968 6.264 724 HH22 ARG 90 2HH2 ARG 90 -5.459 -19.223 7.092 725 H MET 91 H MET 91 1.440 -13.944 9.022 726 HA MET 91 HA MET 91 1.792 -13.848 11.905 727 HB2 MET 91 2HB MET 91 3.889 -14.083 9.702 728 HB3 MET 91 3HB MET 91 4.173 -14.335 11.421 729 HG2 MET 91 2HG MET 91 2.665 -16.274 11.396 730 HG3 MET 91 3HG MET 91 2.350 -16.014 9.680 731 HE1 MET 91 3HE MET 91 6.385 -17.454 11.435 732 HE2 MET 91 1HE MET 91 4.935 -17.153 12.392 733 HE3 MET 91 2HE MET 91 5.828 -15.802 11.687 734 H VAL 92 H VAL 92 1.733 -11.510 9.472 735 HA VAL 92 HA VAL 92 3.702 -9.699 10.711 736 HB VAL 92 HB VAL 92 2.168 -9.308 8.090 737 HG11 VAL 92 1HG1 VAL 92 4.714 -7.993 9.125 738 HG12 VAL 92 2HG1 VAL 92 3.121 -7.236 9.025 739 HG13 VAL 92 3HG1 VAL 92 3.966 -7.705 7.550 740 HG21 VAL 92 3HG2 VAL 92 4.937 -10.508 8.462 741 HG22 VAL 92 1HG2 VAL 92 4.138 -10.174 6.924 742 HG23 VAL 92 2HG2 VAL 92 3.480 -11.398 8.007 743 H HIS 93 H HIS 93 3.024 -8.060 11.964 744 HA HIS 93 HA HIS 93 0.168 -7.811 12.557 745 HB2 HIS 93 2HB HIS 93 2.526 -6.491 13.978 746 HB3 HIS 93 3HB HIS 93 0.889 -6.693 14.602 747 HD1 HIS 93 HD1 HIS 93 3.815 -7.851 15.653 748 HD2 HIS 93 HD2 HIS 93 0.618 -9.951 14.054 749 HE1 HIS 93 HE1 HIS 93 4.101 -10.215 16.451 750 HE2 HIS 93 HE2 HIS 93 2.293 -11.495 15.261 751 H TRP 94 H TRP 94 -1.029 -5.929 12.357 752 HA TRP 94 HA TRP 94 -0.454 -4.051 10.358 753 HB2 TRP 94 2HB TRP 94 -2.527 -4.069 12.581 754 HB3 TRP 94 3HB TRP 94 -2.413 -2.702 11.479 755 HD1 TRP 94 HD1 TRP 94 -4.469 -5.589 11.849 756 HE1 TRP 94 HE1 TRP 94 -5.450 -6.399 9.618 757 HE3 TRP 94 HE3 TRP 94 -1.372 -3.077 8.627 758 HZ2 TRP 94 HZ2 TRP 94 -4.981 -6.028 6.865 759 HZ3 TRP 94 HZ3 TRP 94 -1.699 -3.370 6.207 760 HH2 TRP 94 HH2 TRP 94 -3.469 -4.817 5.353 761 H ASN 95 H ASN 95 0.156 -3.904 13.807 762 HA ASN 95 HA ASN 95 0.627 -1.145 14.078 763 HB2 ASN 95 2HB ASN 95 1.635 -3.519 15.706 764 HB3 ASN 95 3HB ASN 95 1.915 -1.842 16.178 765 HD21 ASN 95 1HD2 ASN 95 0.296 -4.069 17.389 766 HD22 ASN 95 2HD2 ASN 95 -1.254 -3.361 17.676 767 H SER 96 H SER 96 2.635 -3.627 12.708 768 HA SER 96 HA SER 96 5.072 -1.990 12.717 769 HB2 SER 96 2HB SER 96 4.561 -4.747 11.507 770 HB3 SER 96 3HB SER 96 6.135 -3.965 11.695 771 HG SER 96 HG SER 96 5.524 -3.904 14.029 772 H ILE 97 H ILE 97 2.339 -2.450 10.713 773 HA ILE 97 HA ILE 97 3.728 -2.042 8.141 774 HB ILE 97 HB ILE 97 0.829 -2.753 8.820 775 HG12 ILE 97 2HG1 ILE 97 3.032 -4.487 7.622 776 HG13 ILE 97 3HG1 ILE 97 2.515 -4.538 9.305 777 HG21 ILE 97 1HG2 ILE 97 2.124 -2.641 6.069 778 HG22 ILE 97 2HG2 ILE 97 0.907 -1.521 6.686 779 HG23 ILE 97 3HG2 ILE 97 0.490 -3.214 6.426 780 HD11 ILE 97 3HD1 ILE 97 1.544 -6.349 8.073 781 HD12 ILE 97 1HD1 ILE 97 0.834 -5.233 6.908 782 HD13 ILE 97 2HD1 ILE 97 0.281 -5.233 8.585 783 H LYS 98 H LYS 98 1.085 -0.664 10.100 784 HA LYS 98 HA LYS 98 0.036 1.081 8.223 785 HB2 LYS 98 2HB LYS 98 -0.150 1.240 11.248 786 HB3 LYS 98 3HB LYS 98 -1.125 2.202 10.140 787 HG2 LYS 98 2HG LYS 98 -2.189 0.208 9.250 788 HG3 LYS 98 3HG LYS 98 -1.125 -0.831 10.207 789 HD2 LYS 98 2HD LYS 98 -3.341 -0.638 11.261 790 HD3 LYS 98 3HD LYS 98 -2.090 0.064 12.289 791 HE2 LYS 98 2HE LYS 98 -2.725 2.326 11.511 792 HE3 LYS 98 3HE LYS 98 -3.969 1.622 10.483 793 HZ1 LYS 98 3HZ LYS 98 -5.077 0.794 12.452 794 HZ2 LYS 98 1HZ LYS 98 -4.892 2.469 12.528 795 HZ3 LYS 98 2HZ LYS 98 -3.888 1.465 13.446 796 HA PRO 99 HA PRO 99 2.276 4.923 10.344 797 HB2 PRO 99 2HB PRO 99 4.734 4.450 11.574 798 HB3 PRO 99 3HB PRO 99 3.189 4.501 12.446 799 HG2 PRO 99 2HG PRO 99 4.708 2.102 11.468 800 HG3 PRO 99 3HG PRO 99 3.927 2.373 13.044 801 HD2 PRO 99 2HD PRO 99 2.711 0.892 11.164 802 HD3 PRO 99 3HD PRO 99 1.771 1.995 12.198 803 H GLU 100 H GLU 100 4.304 2.297 9.162 804 HA GLU 100 HA GLU 100 6.263 3.817 7.832 805 HB2 GLU 100 2HB GLU 100 5.444 0.967 7.124 806 HB3 GLU 100 3HB GLU 100 7.026 1.719 6.920 807 HG2 GLU 100 2HG GLU 100 5.696 0.955 9.534 808 HG3 GLU 100 3HG GLU 100 7.072 0.159 8.780 809 H ILE 101 H ILE 101 3.326 2.169 6.639 810 HA ILE 101 HA ILE 101 3.769 2.931 3.898 811 HB ILE 101 HB ILE 101 1.436 1.522 5.266 812 HG12 ILE 101 2HG1 ILE 101 3.784 0.572 3.551 813 HG13 ILE 101 3HG1 ILE 101 3.474 0.181 5.238 814 HG21 ILE 101 1HG2 ILE 101 0.561 2.693 3.277 815 HG22 ILE 101 2HG2 ILE 101 0.573 0.949 3.022 816 HG23 ILE 101 3HG2 ILE 101 1.817 1.957 2.277 817 HD11 ILE 101 3HD1 ILE 101 1.452 -1.072 4.488 818 HD12 ILE 101 1HD1 ILE 101 2.989 -1.718 3.913 819 HD13 ILE 101 2HD1 ILE 101 1.968 -0.785 2.824 820 H ILE 102 H ILE 102 1.803 4.245 6.565 821 HA ILE 102 HA ILE 102 0.353 6.209 5.147 822 HB ILE 102 HB ILE 102 1.463 6.230 7.995 823 HG12 ILE 102 2HG1 ILE 102 -1.404 5.858 6.995 824 HG13 ILE 102 3HG1 ILE 102 -0.327 4.543 7.451 825 HG21 ILE 102 1HG2 ILE 102 -0.021 8.154 8.493 826 HG22 ILE 102 2HG2 ILE 102 -0.436 8.273 6.783 827 HG23 ILE 102 3HG2 ILE 102 1.219 8.574 7.309 828 HD11 ILE 102 3HD1 ILE 102 -1.357 6.701 9.287 829 HD12 ILE 102 1HD1 ILE 102 -0.250 5.402 9.741 830 HD13 ILE 102 2HD1 ILE 102 -1.890 5.022 9.219 831 H ASP 103 H ASP 103 3.636 6.200 6.501 832 HA ASP 103 HA ASP 103 4.458 8.824 5.795 833 HB2 ASP 103 2HB ASP 103 5.660 7.455 7.473 834 HB3 ASP 103 3HB ASP 103 6.109 6.284 6.242 835 H LEU 104 H LEU 104 4.658 5.712 4.074 836 HA LEU 104 HA LEU 104 6.124 6.581 1.831 837 HB2 LEU 104 2HB LEU 104 4.190 4.250 2.123 838 HB3 LEU 104 3HB LEU 104 5.272 4.471 0.753 839 HG LEU 104 HG LEU 104 6.133 4.032 3.635 840 HD11 LEU 104 1HD1 LEU 104 5.225 1.999 2.645 841 HD12 LEU 104 2HD1 LEU 104 6.962 1.863 2.897 842 HD13 LEU 104 3HD1 LEU 104 6.328 2.152 1.273 843 HD21 LEU 104 3HD2 LEU 104 8.424 3.878 2.739 844 HD22 LEU 104 1HD2 LEU 104 7.726 5.481 2.532 845 HD23 LEU 104 2HD2 LEU 104 7.833 4.382 1.157 846 H LEU 105 H LEU 105 2.595 6.445 2.382 847 HA LEU 105 HA LEU 105 1.814 7.321 -0.211 848 HB2 LEU 105 2HB LEU 105 0.430 7.163 2.459 849 HB3 LEU 105 3HB LEU 105 -0.281 8.226 1.261 850 HG LEU 105 HG LEU 105 -0.502 6.303 -0.316 851 HD11 LEU 105 1HD1 LEU 105 0.463 4.597 1.984 852 HD12 LEU 105 2HD1 LEU 105 1.313 4.888 0.465 853 HD13 LEU 105 3HD1 LEU 105 -0.213 4.010 0.462 854 HD21 LEU 105 3HD2 LEU 105 -2.395 6.942 1.102 855 HD22 LEU 105 1HD2 LEU 105 -1.828 5.859 2.378 856 HD23 LEU 105 2HD2 LEU 105 -2.371 5.200 0.832 857 H THR 106 H THR 106 3.168 9.024 2.507 858 HA THR 106 HA THR 106 2.388 11.680 1.640 859 HB THR 106 HB THR 106 4.324 10.720 3.808 860 HG1 THR 106 HG1 THR 106 1.988 10.241 3.982 861 HG21 THR 106 3HG2 THR 106 3.160 13.500 3.383 862 HG22 THR 106 1HG2 THR 106 4.851 13.048 3.147 863 HG23 THR 106 2HG2 THR 106 4.139 12.991 4.760 864 H LYS 107 H LYS 107 5.257 9.532 1.529 865 HA LYS 107 HA LYS 107 7.100 11.279 0.319 866 HB2 LYS 107 2HB LYS 107 6.839 8.238 0.183 867 HB3 LYS 107 3HB LYS 107 8.223 9.117 -0.453 868 HG2 LYS 107 2HG LYS 107 7.370 9.134 2.460 869 HG3 LYS 107 3HG LYS 107 8.616 8.084 1.782 870 HD2 LYS 107 2HD LYS 107 9.960 10.048 1.156 871 HD3 LYS 107 3HD LYS 107 8.708 11.128 1.775 872 HE2 LYS 107 2HE LYS 107 10.275 9.131 3.450 873 HE3 LYS 107 3HE LYS 107 10.605 10.861 3.347 874 HZ1 LYS 107 3HZ LYS 107 8.138 9.601 4.416 875 HZ2 LYS 107 1HZ LYS 107 8.372 11.269 4.239 876 HZ3 LYS 107 2HZ LYS 107 9.341 10.388 5.305 877 H GLN 108 H GLN 108 4.748 9.005 -1.077 878 HA GLN 108 HA GLN 108 5.551 9.182 -3.785 879 HB2 GLN 108 2HB GLN 108 4.158 7.348 -2.660 880 HB3 GLN 108 3HB GLN 108 2.774 8.423 -2.754 881 HG2 GLN 108 2HG GLN 108 4.331 7.483 -5.182 882 HG3 GLN 108 3HG GLN 108 2.939 6.624 -4.540 883 HE21 GLN 108 1HE2 GLN 108 0.860 7.604 -4.742 884 HE22 GLN 108 2HE2 GLN 108 0.568 8.833 -5.920 885 H LEU 109 H LEU 109 2.746 10.611 -2.109 886 HA LEU 109 HA LEU 109 1.868 12.146 -4.343 887 HB2 LEU 109 2HB LEU 109 1.149 12.376 -1.398 888 HB3 LEU 109 3HB LEU 109 0.312 13.227 -2.689 889 HG LEU 109 HG LEU 109 0.417 10.194 -2.371 890 HD11 LEU 109 1HD1 LEU 109 -0.943 11.235 -0.620 891 HD12 LEU 109 2HD1 LEU 109 -1.951 10.340 -1.754 892 HD13 LEU 109 3HD1 LEU 109 -1.886 12.104 -1.838 893 HD21 LEU 109 3HD2 LEU 109 0.247 10.823 -4.732 894 HD22 LEU 109 1HD2 LEU 109 -1.128 11.876 -4.380 895 HD23 LEU 109 2HD2 LEU 109 -1.270 10.128 -4.170 896 H ALA 110 H ALA 110 4.394 12.747 -2.098 897 HA ALA 110 HA ALA 110 4.434 15.643 -2.488 898 HB1 ALA 110 3HB ALA 110 5.175 14.693 -0.334 899 HB2 ALA 110 1HB ALA 110 6.471 15.605 -1.112 900 HB3 ALA 110 2HB ALA 110 6.486 13.837 -1.147 901 H TYR 111 H TYR 111 6.393 12.810 -3.515 902 HA TYR 111 HA TYR 111 8.206 14.565 -5.031 903 HB2 TYR 111 2HB TYR 111 8.428 11.573 -4.456 904 HB3 TYR 111 3HB TYR 111 9.675 12.583 -5.188 905 HD1 TYR 111 HD2 TYR 111 9.465 15.024 -3.388 906 HD2 TYR 111 HD1 TYR 111 9.535 10.854 -2.438 907 HE1 TYR 111 HE2 TYR 111 10.339 15.538 -1.152 908 HE2 TYR 111 HE1 TYR 111 10.403 11.384 -0.200 909 HH TYR 111 HH TYR 111 10.382 14.519 1.086 910 H GLY 112 H GLY 112 5.516 12.582 -5.598 911 HA2 GLY 112 2HA GLY 112 5.953 12.634 -8.525 912 HA3 GLY 112 3HA GLY 112 5.415 11.159 -7.716 913 H GLU 113 H GLU 113 3.321 10.925 -8.338 914 HA GLU 113 HA GLU 113 1.302 12.798 -7.574 915 HB2 GLU 113 2HB GLU 113 0.416 13.068 -10.006 916 HB3 GLU 113 3HB GLU 113 1.795 14.051 -9.530 917 HG2 GLU 113 2HG GLU 113 3.299 12.393 -10.667 918 HG3 GLU 113 3HG GLU 113 1.861 11.541 -11.226 919 H ASP 114 H ASP 114 1.846 10.208 -9.950 920 HA ASP 114 HA ASP 114 -0.649 8.872 -9.212 921 HB2 ASP 114 2HB ASP 114 -0.214 7.453 -11.201 922 HB3 ASP 114 3HB ASP 114 -0.171 9.162 -11.616 923 H VAL 115 H VAL 115 -0.719 6.933 -8.168 924 HA VAL 115 HA VAL 115 1.604 5.722 -7.001 925 HB VAL 115 HB VAL 115 -0.545 5.475 -5.856 926 HG11 VAL 115 1HG1 VAL 115 -1.523 3.903 -8.259 927 HG12 VAL 115 2HG1 VAL 115 -2.055 5.516 -7.785 928 HG13 VAL 115 3HG1 VAL 115 -2.403 4.136 -6.743 929 HG21 VAL 115 3HG2 VAL 115 0.404 2.771 -6.884 930 HG22 VAL 115 1HG2 VAL 115 -0.546 3.046 -5.419 931 HG23 VAL 115 2HG2 VAL 115 1.101 3.666 -5.534 932 H ILE 116 H ILE 116 -0.490 5.039 -9.760 933 HA ILE 116 HA ILE 116 1.610 3.456 -11.101 934 HB ILE 116 HB ILE 116 -1.346 2.666 -10.939 935 HG12 ILE 116 2HG1 ILE 116 1.069 1.137 -9.897 936 HG13 ILE 116 3HG1 ILE 116 -0.052 2.059 -8.898 937 HG21 ILE 116 1HG2 ILE 116 -0.750 0.718 -12.330 938 HG22 ILE 116 2HG2 ILE 116 0.897 1.325 -12.489 939 HG23 ILE 116 3HG2 ILE 116 -0.449 2.234 -13.179 940 HD11 ILE 116 3HD1 ILE 116 -1.878 0.577 -9.608 941 HD12 ILE 116 1HD1 ILE 116 -0.572 -0.271 -8.785 942 HD13 ILE 116 2HD1 ILE 116 -0.716 -0.379 -10.537 943 H SER 117 H SER 117 1.833 4.198 -13.186 944 HA SER 117 HA SER 117 0.058 6.139 -14.327 945 HB2 SER 117 2HB SER 117 1.563 5.788 -16.396 946 HB3 SER 117 3HB SER 117 2.363 6.363 -14.930 947 HG SER 117 HG SER 117 2.230 3.644 -15.727 948 H LYS 118 H LYS 118 -1.927 5.036 -14.192 949 HA LYS 118 HA LYS 118 -2.467 2.634 -15.740 950 HB2 LYS 118 2HB LYS 118 -3.646 3.164 -13.556 951 HB3 LYS 118 3HB LYS 118 -4.403 4.544 -14.338 952 HG2 LYS 118 2HG LYS 118 -6.013 2.761 -14.263 953 HG3 LYS 118 3HG LYS 118 -5.512 2.959 -15.945 954 HD2 LYS 118 2HD LYS 118 -3.905 1.036 -15.616 955 HD3 LYS 118 3HD LYS 118 -4.591 0.800 -14.006 956 HE2 LYS 118 2HE LYS 118 -5.600 -0.770 -15.554 957 HE3 LYS 118 3HE LYS 118 -6.824 0.400 -15.064 958 HZ1 LYS 118 3HZ LYS 118 -6.773 -0.141 -17.489 959 HZ2 LYS 118 1HZ LYS 118 -5.267 0.612 -17.592 960 HZ3 LYS 118 2HZ LYS 118 -6.632 1.510 -17.152 961 H GLU 119 H GLU 119 -1.724 3.451 -17.777 962 HA GLU 119 HA GLU 119 -3.567 4.937 -19.404 963 HB2 GLU 119 2HB GLU 119 -2.479 6.791 -18.117 964 HB3 GLU 119 3HB GLU 119 -0.892 6.236 -18.638 965 HG2 GLU 119 2HG GLU 119 -1.490 6.748 -20.979 966 HG3 GLU 119 3HG GLU 119 -3.075 7.313 -20.449 Start of MODEL 13 1 H1 MET 1 1H MET 1 0.147 66.272 -7.046 2 H2 MET 1 2H MET 1 -0.588 64.976 -7.839 3 H3 MET 1 3H MET 1 1.028 64.867 -7.368 4 HA MET 1 HA MET 1 0.461 64.907 -5.085 5 HB2 MET 1 2HB MET 1 -1.854 65.008 -4.310 6 HB3 MET 1 3HB MET 1 -1.529 66.402 -5.328 7 HG2 MET 1 2HG MET 1 -3.030 63.915 -6.201 8 HG3 MET 1 3HG MET 1 -3.772 65.443 -5.739 9 HE1 MET 1 3HE MET 1 -2.743 67.794 -8.703 10 HE2 MET 1 1HE MET 1 -1.940 67.651 -7.137 11 HE3 MET 1 2HE MET 1 -3.703 67.643 -7.234 12 H GLY 2 H GLY 2 -0.715 62.972 -3.913 13 HA2 GLY 2 2HA GLY 2 -1.924 60.811 -4.974 14 HA3 GLY 2 3HA GLY 2 -0.264 60.552 -5.489 15 H HIS 3 H HIS 3 -2.490 60.126 -2.958 16 HA HIS 3 HA HIS 3 -0.362 59.018 -1.199 17 HB2 HIS 3 2HB HIS 3 -3.062 60.207 -0.391 18 HB3 HIS 3 3HB HIS 3 -2.038 59.282 0.698 19 HD1 HIS 3 HD1 HIS 3 -2.814 62.121 1.438 20 HD2 HIS 3 HD2 HIS 3 0.663 61.191 -0.640 21 HE1 HIS 3 HE1 HIS 3 -1.230 64.018 1.876 22 HE2 HIS 3 HE2 HIS 3 0.816 63.491 0.512 23 H HIS 4 H HIS 4 -0.340 56.859 -1.598 24 HA HIS 4 HA HIS 4 -2.442 55.251 -0.595 25 HB2 HIS 4 2HB HIS 4 -3.112 53.959 -2.540 26 HB3 HIS 4 3HB HIS 4 -3.400 55.651 -2.900 27 HD1 HIS 4 HD1 HIS 4 -1.641 56.797 -4.586 28 HD2 HIS 4 HD2 HIS 4 -1.472 52.652 -4.346 29 HE1 HIS 4 HE1 HIS 4 -0.352 56.048 -6.600 30 HE2 HIS 4 HE2 HIS 4 -0.118 53.560 -6.337 31 H HIS 5 H HIS 5 -1.678 53.195 -0.076 32 HA HIS 5 HA HIS 5 1.074 52.442 -0.916 33 HB2 HIS 5 2HB HIS 5 -0.163 52.114 1.860 34 HB3 HIS 5 3HB HIS 5 1.412 51.492 1.377 35 HD1 HIS 5 HD1 HIS 5 0.223 54.048 3.356 36 HD2 HIS 5 HD2 HIS 5 2.912 54.012 0.190 37 HE1 HIS 5 HE1 HIS 5 1.625 56.109 3.634 38 HE2 HIS 5 HE2 HIS 5 3.335 55.987 1.795 39 H HIS 6 H HIS 6 1.280 49.949 0.073 40 HA HIS 6 HA HIS 6 -1.094 48.389 -0.765 41 HB2 HIS 6 2HB HIS 6 1.775 47.807 -1.639 42 HB3 HIS 6 3HB HIS 6 0.384 46.780 -1.973 43 HD1 HIS 6 HD1 HIS 6 2.330 49.503 -3.380 44 HD2 HIS 6 HD2 HIS 6 -1.564 48.129 -3.760 45 HE1 HIS 6 HE1 HIS 6 1.440 50.583 -5.457 46 HE2 HIS 6 HE2 HIS 6 -0.854 49.587 -5.760 47 H HIS 7 H HIS 7 -1.440 46.536 0.436 48 HA HIS 7 HA HIS 7 0.016 46.272 2.970 49 HB2 HIS 7 2HB HIS 7 -2.474 44.835 1.958 50 HB3 HIS 7 3HB HIS 7 -1.820 44.697 3.584 51 HD1 HIS 7 HD1 HIS 7 -4.090 46.685 1.518 52 HD2 HIS 7 HD2 HIS 7 -2.100 47.147 5.135 53 HE1 HIS 7 HE1 HIS 7 -5.277 48.541 2.707 54 HE2 HIS 7 HE2 HIS 7 -4.191 48.650 4.976 55 H HIS 8 H HIS 8 1.704 44.860 3.122 56 HA HIS 8 HA HIS 8 1.855 42.504 1.367 57 HB2 HIS 8 2HB HIS 8 4.125 42.163 2.289 58 HB3 HIS 8 3HB HIS 8 3.938 43.780 1.631 59 HD1 HIS 8 HD1 HIS 8 3.987 45.761 3.316 60 HD2 HIS 8 HD2 HIS 8 4.706 42.056 5.036 61 HE1 HIS 8 HE1 HIS 8 4.930 46.246 5.581 62 HE2 HIS 8 HE2 HIS 8 5.132 43.992 6.681 63 H SER 9 H SER 9 1.365 40.484 2.029 64 HA SER 9 HA SER 9 1.063 39.770 4.846 65 HB2 SER 9 2HB SER 9 -1.338 38.963 4.402 66 HB3 SER 9 3HB SER 9 -1.126 40.711 4.477 67 HG SER 9 HG SER 9 -1.034 39.330 2.012 68 H HIS 10 H HIS 10 2.146 37.915 4.964 69 HA HIS 10 HA HIS 10 1.528 35.674 3.225 70 HB2 HIS 10 2HB HIS 10 3.778 35.268 2.428 71 HB3 HIS 10 3HB HIS 10 3.394 36.930 2.024 72 HD1 HIS 10 HD1 HIS 10 6.039 34.970 3.398 73 HD2 HIS 10 HD2 HIS 10 4.558 38.770 4.165 74 HE1 HIS 10 HE1 HIS 10 7.853 36.161 4.651 75 HE2 HIS 10 HE2 HIS 10 6.889 38.426 5.190 76 H MET 11 H MET 11 2.017 33.715 4.164 77 HA MET 11 HA MET 11 3.609 33.526 6.602 78 HB2 MET 11 2HB MET 11 1.817 32.262 7.815 79 HB3 MET 11 3HB MET 11 1.375 33.938 7.537 80 HG2 MET 11 2HG MET 11 -0.028 33.192 5.600 81 HG3 MET 11 3HG MET 11 0.336 31.522 6.031 82 HE1 MET 11 3HE MET 11 -1.411 31.256 9.569 83 HE2 MET 11 1HE MET 11 0.276 31.678 9.266 84 HE3 MET 11 2HE MET 11 -0.492 30.383 8.344 85 H ASN 12 H ASN 12 4.844 31.736 6.465 86 HA ASN 12 HA ASN 12 4.906 30.160 4.122 87 HB2 ASN 12 2HB ASN 12 6.253 29.638 6.813 88 HB3 ASN 12 3HB ASN 12 6.636 28.797 5.314 89 HD21 ASN 12 1HD2 ASN 12 8.772 29.506 5.226 90 HD22 ASN 12 2HD2 ASN 12 9.219 31.153 4.949 91 H SER 13 H SER 13 3.323 28.820 3.579 92 HA SER 13 HA SER 13 1.997 27.092 5.588 93 HB2 SER 13 2HB SER 13 -0.177 27.679 4.361 94 HB3 SER 13 3HB SER 13 0.542 28.990 5.295 95 HG SER 13 HG SER 13 1.383 29.827 3.376 96 H GLN 14 H GLN 14 4.035 26.176 3.950 97 HA GLN 14 HA GLN 14 3.040 24.752 1.662 98 HB2 GLN 14 2HB GLN 14 5.454 25.254 1.928 99 HB3 GLN 14 3HB GLN 14 5.517 24.258 3.379 100 HG2 GLN 14 2HG GLN 14 4.952 22.262 1.989 101 HG3 GLN 14 3HG GLN 14 4.985 23.282 0.552 102 HE21 GLN 14 1HE2 GLN 14 6.914 21.774 3.041 103 HE22 GLN 14 2HE2 GLN 14 8.443 21.996 2.269 104 H ARG 15 H ARG 15 1.196 23.635 2.238 105 HA ARG 15 HA ARG 15 0.889 22.034 4.611 106 HB2 ARG 15 2HB ARG 15 -0.827 22.151 2.085 107 HB3 ARG 15 3HB ARG 15 -1.305 21.415 3.614 108 HG2 ARG 15 2HG ARG 15 -1.344 23.580 4.715 109 HG3 ARG 15 3HG ARG 15 -0.663 24.373 3.293 110 HD2 ARG 15 2HD ARG 15 -3.073 24.799 3.441 111 HD3 ARG 15 3HD ARG 15 -2.710 23.824 2.015 112 HE ARG 15 HE ARG 15 -3.321 22.013 3.990 113 HH11 ARG 15 1HH1 ARG 15 -5.068 24.638 2.426 114 HH12 ARG 15 2HH1 ARG 15 -6.614 23.901 2.676 115 HH21 ARG 15 1HH2 ARG 15 -5.367 21.110 4.374 116 HH22 ARG 15 2HH2 ARG 15 -6.785 21.906 3.778 117 H LEU 16 H LEU 16 0.572 19.716 4.659 118 HA LEU 16 HA LEU 16 1.784 18.200 2.420 119 HB2 LEU 16 2HB LEU 16 3.037 16.771 3.886 120 HB3 LEU 16 3HB LEU 16 3.481 18.433 4.212 121 HG LEU 16 HG LEU 16 1.632 16.778 5.996 122 HD11 LEU 16 1HD1 LEU 16 3.884 15.806 5.985 123 HD12 LEU 16 2HD1 LEU 16 3.539 16.568 7.536 124 HD13 LEU 16 3HD1 LEU 16 4.585 17.383 6.369 125 HD21 LEU 16 3HD2 LEU 16 2.982 19.450 6.528 126 HD22 LEU 16 1HD2 LEU 16 2.010 18.532 7.686 127 HD23 LEU 16 2HD2 LEU 16 1.260 19.197 6.238 128 H ILE 17 H ILE 17 1.408 15.729 2.879 129 HA ILE 17 HA ILE 17 -1.437 15.562 2.389 130 HB ILE 17 HB ILE 17 0.556 13.251 2.287 131 HG12 ILE 17 2HG1 ILE 17 1.559 15.122 0.995 132 HG13 ILE 17 3HG1 ILE 17 1.076 13.807 -0.063 133 HG21 ILE 17 1HG2 ILE 17 -0.957 12.368 0.524 134 HG22 ILE 17 2HG2 ILE 17 -2.013 13.769 0.730 135 HG23 ILE 17 3HG2 ILE 17 -1.804 12.617 2.053 136 HD11 ILE 17 3HD1 ILE 17 -0.405 16.398 0.337 137 HD12 ILE 17 1HD1 ILE 17 -0.900 15.081 -0.733 138 HD13 ILE 17 2HD1 ILE 17 0.601 15.954 -1.041 139 H HIS 18 H HIS 18 -2.912 14.950 3.927 140 HA HIS 18 HA HIS 18 -2.066 13.556 6.385 141 HB2 HIS 18 2HB HIS 18 -4.898 14.390 5.600 142 HB3 HIS 18 3HB HIS 18 -4.362 13.864 7.187 143 HD1 HIS 18 HD1 HIS 18 -4.755 15.874 8.572 144 HD2 HIS 18 HD2 HIS 18 -2.819 16.822 5.029 145 HE1 HIS 18 HE1 HIS 18 -4.223 18.316 8.726 146 HE2 HIS 18 HE2 HIS 18 -2.904 18.814 6.650 147 H ILE 19 H ILE 19 -2.666 11.416 6.848 148 HA ILE 19 HA ILE 19 -3.821 9.837 4.620 149 HB ILE 19 HB ILE 19 -1.432 9.003 6.339 150 HG12 ILE 19 2HG1 ILE 19 -0.723 10.642 4.635 151 HG13 ILE 19 3HG1 ILE 19 -0.114 9.047 4.206 152 HG21 ILE 19 1HG2 ILE 19 -1.341 6.969 4.920 153 HG22 ILE 19 2HG2 ILE 19 -2.816 7.481 4.096 154 HG23 ILE 19 3HG2 ILE 19 -2.863 7.075 5.812 155 HD11 ILE 19 3HD1 ILE 19 -1.933 8.832 2.553 156 HD12 ILE 19 1HD1 ILE 19 -0.885 10.217 2.258 157 HD13 ILE 19 2HD1 ILE 19 -2.477 10.461 2.972 158 H LYS 20 H LYS 20 -5.578 8.856 5.309 159 HA LYS 20 HA LYS 20 -6.262 8.740 8.153 160 HB2 LYS 20 2HB LYS 20 -7.660 10.110 6.613 161 HB3 LYS 20 3HB LYS 20 -7.972 8.690 5.625 162 HG2 LYS 20 2HG LYS 20 -9.245 7.662 7.437 163 HG3 LYS 20 3HG LYS 20 -8.838 9.002 8.518 164 HD2 LYS 20 2HD LYS 20 -10.047 10.570 7.007 165 HD3 LYS 20 3HD LYS 20 -10.488 9.218 5.960 166 HE2 LYS 20 2HE LYS 20 -12.347 9.864 7.440 167 HE3 LYS 20 3HE LYS 20 -11.800 8.231 7.791 168 HZ1 LYS 20 3HZ LYS 20 -11.021 10.637 9.333 169 HZ2 LYS 20 1HZ LYS 20 -10.611 9.039 9.699 170 HZ3 LYS 20 2HZ LYS 20 -12.222 9.543 9.790 171 H THR 21 H THR 21 -6.421 6.757 9.097 172 HA THR 21 HA THR 21 -6.131 4.337 7.444 173 HB THR 21 HB THR 21 -5.846 4.717 10.460 174 HG1 THR 21 HG1 THR 21 -3.995 4.520 8.312 175 HG21 THR 21 3HG2 THR 21 -5.269 2.260 8.750 176 HG22 THR 21 1HG2 THR 21 -6.542 2.398 9.963 177 HG23 THR 21 2HG2 THR 21 -4.847 2.433 10.454 178 H LEU 22 H LEU 22 -7.989 3.493 6.819 179 HA LEU 22 HA LEU 22 -10.387 3.543 8.548 180 HB2 LEU 22 2HB LEU 22 -10.071 3.150 5.541 181 HB3 LEU 22 3HB LEU 22 -11.595 2.976 6.395 182 HG LEU 22 HG LEU 22 -9.999 5.569 6.189 183 HD11 LEU 22 1HD1 LEU 22 -11.788 6.362 4.719 184 HD12 LEU 22 2HD1 LEU 22 -12.570 4.779 4.786 185 HD13 LEU 22 3HD1 LEU 22 -10.982 4.952 4.033 186 HD21 LEU 22 3HD2 LEU 22 -12.696 4.989 7.459 187 HD22 LEU 22 1HD2 LEU 22 -12.043 6.604 7.165 188 HD23 LEU 22 2HD2 LEU 22 -11.220 5.515 8.274 189 H THR 23 H THR 23 -11.246 1.652 9.248 190 HA THR 23 HA THR 23 -9.766 -0.834 8.861 191 HB THR 23 HB THR 23 -11.377 -1.684 10.650 192 HG1 THR 23 HG1 THR 23 -12.615 -0.050 11.728 193 HG21 THR 23 3HG2 THR 23 -9.146 -0.827 11.286 194 HG22 THR 23 1HG2 THR 23 -10.350 -0.415 12.509 195 HG23 THR 23 2HG2 THR 23 -9.790 0.814 11.373 196 H THR 24 H THR 24 -10.647 -2.721 8.020 197 HA THR 24 HA THR 24 -13.129 -2.506 6.416 198 HB THR 24 HB THR 24 -11.947 -4.040 4.773 199 HG1 THR 24 HG1 THR 24 -10.232 -4.966 5.608 200 HG21 THR 24 3HG2 THR 24 -11.983 -1.605 4.320 201 HG22 THR 24 1HG2 THR 24 -10.478 -2.335 3.752 202 HG23 THR 24 2HG2 THR 24 -10.496 -1.406 5.252 203 HA PRO 25 HA PRO 25 -14.733 -6.243 8.484 204 HB2 PRO 25 2HB PRO 25 -15.085 -7.332 5.667 205 HB3 PRO 25 3HB PRO 25 -16.247 -7.298 7.016 206 HG2 PRO 25 2HG PRO 25 -16.486 -5.542 5.048 207 HG3 PRO 25 3HG PRO 25 -16.731 -5.029 6.732 208 HD2 PRO 25 2HD PRO 25 -14.371 -4.531 4.938 209 HD3 PRO 25 3HD PRO 25 -15.096 -3.474 6.171 210 H ASN 26 H ASN 26 -12.727 -6.966 5.627 211 HA ASN 26 HA ASN 26 -11.582 -9.395 6.692 212 HB2 ASN 26 2HB ASN 26 -11.918 -9.067 4.250 213 HB3 ASN 26 3HB ASN 26 -10.822 -7.695 4.273 214 HD21 ASN 26 1HD2 ASN 26 -9.372 -8.581 2.814 215 HD22 ASN 26 2HD2 ASN 26 -8.397 -9.963 3.169 216 H GLU 27 H GLU 27 -10.038 -9.334 8.294 217 HA GLU 27 HA GLU 27 -8.627 -6.904 8.951 218 HB2 GLU 27 2HB GLU 27 -7.715 -8.122 10.866 219 HB3 GLU 27 3HB GLU 27 -9.436 -8.408 10.730 220 HG2 GLU 27 2HG GLU 27 -8.601 -10.508 11.325 221 HG3 GLU 27 3HG GLU 27 -8.802 -10.641 9.578 222 H ASN 28 H ASN 28 -7.958 -9.645 6.988 223 HA ASN 28 HA ASN 28 -5.125 -9.548 6.782 224 HB2 ASN 28 2HB ASN 28 -7.172 -10.294 4.629 225 HB3 ASN 28 3HB ASN 28 -5.471 -10.732 4.614 226 HD21 ASN 28 1HD2 ASN 28 -4.834 -12.543 5.738 227 HD22 ASN 28 2HD2 ASN 28 -5.912 -13.568 6.611 228 H ALA 29 H ALA 29 -7.694 -7.597 5.513 229 HA ALA 29 HA ALA 29 -5.929 -5.925 3.861 230 HB1 ALA 29 3HB ALA 29 -7.965 -6.732 2.777 231 HB2 ALA 29 1HB ALA 29 -8.068 -4.986 3.009 232 HB3 ALA 29 2HB ALA 29 -8.954 -6.072 4.081 233 H LEU 30 H LEU 30 -5.848 -3.646 4.204 234 HA LEU 30 HA LEU 30 -7.439 -2.385 6.302 235 HB2 LEU 30 2HB LEU 30 -5.332 -3.118 7.472 236 HB3 LEU 30 3HB LEU 30 -4.394 -2.160 6.340 237 HG LEU 30 HG LEU 30 -5.538 -0.081 7.210 238 HD11 LEU 30 1HD1 LEU 30 -6.725 -1.929 9.302 239 HD12 LEU 30 2HD1 LEU 30 -7.611 -1.077 8.034 240 HD13 LEU 30 3HD1 LEU 30 -6.805 -0.163 9.305 241 HD21 LEU 30 3HD2 LEU 30 -3.333 -0.704 8.066 242 HD22 LEU 30 1HD2 LEU 30 -4.075 -1.706 9.320 243 HD23 LEU 30 2HD2 LEU 30 -4.303 0.048 9.330 244 H LYS 31 H LYS 31 -8.090 -0.430 5.617 245 HA LYS 31 HA LYS 31 -7.219 0.476 2.980 246 HB2 LYS 31 2HB LYS 31 -9.600 0.151 3.416 247 HB3 LYS 31 3HB LYS 31 -9.553 1.317 4.733 248 HG2 LYS 31 2HG LYS 31 -9.088 3.133 3.147 249 HG3 LYS 31 3HG LYS 31 -9.019 1.977 1.809 250 HD2 LYS 31 2HD LYS 31 -11.474 2.550 3.530 251 HD3 LYS 31 3HD LYS 31 -11.194 3.188 1.907 252 HE2 LYS 31 2HE LYS 31 -11.242 0.909 0.983 253 HE3 LYS 31 3HE LYS 31 -11.450 0.236 2.600 254 HZ1 LYS 31 3HZ LYS 31 -13.547 1.539 2.726 255 HZ2 LYS 31 1HZ LYS 31 -13.552 0.306 1.574 256 HZ3 LYS 31 2HZ LYS 31 -13.366 1.909 1.089 257 H PHE 32 H PHE 32 -6.139 2.312 2.572 258 HA PHE 32 HA PHE 32 -5.846 4.416 4.625 259 HB2 PHE 32 2HB PHE 32 -3.865 3.544 2.459 260 HB3 PHE 32 3HB PHE 32 -3.656 4.961 3.485 261 HD1 PHE 32 HD2 PHE 32 -3.658 1.252 3.419 262 HD2 PHE 32 HD1 PHE 32 -2.957 4.734 5.815 263 HE1 PHE 32 HE2 PHE 32 -2.559 -0.133 5.124 264 HE2 PHE 32 HE1 PHE 32 -1.864 3.333 7.505 265 HZ PHE 32 HZ PHE 32 -1.663 0.904 7.164 266 H LEU 33 H LEU 33 -6.708 6.302 4.029 267 HA LEU 33 HA LEU 33 -7.350 6.881 1.197 268 HB2 LEU 33 2HB LEU 33 -9.356 6.490 2.554 269 HB3 LEU 33 3HB LEU 33 -8.797 7.618 3.780 270 HG LEU 33 HG LEU 33 -9.096 9.512 2.179 271 HD11 LEU 33 1HD1 LEU 33 -10.278 9.172 0.046 272 HD12 LEU 33 2HD1 LEU 33 -10.187 7.421 0.275 273 HD13 LEU 33 3HD1 LEU 33 -8.710 8.368 0.072 274 HD21 LEU 33 3HD2 LEU 33 -10.926 8.915 3.703 275 HD22 LEU 33 1HD2 LEU 33 -11.588 7.805 2.496 276 HD23 LEU 33 2HD2 LEU 33 -11.547 9.544 2.178 277 H SER 34 H SER 34 -6.270 8.617 0.400 278 HA SER 34 HA SER 34 -4.700 10.332 2.141 279 HB2 SER 34 2HB SER 34 -4.005 11.418 -0.043 280 HB3 SER 34 3HB SER 34 -3.655 9.693 0.056 281 HG SER 34 HG SER 34 -5.047 10.959 -1.778 282 H THR 35 H THR 35 -5.764 11.826 3.233 283 HA THR 35 HA THR 35 -8.083 13.274 2.134 284 HB THR 35 HB THR 35 -8.508 13.816 4.605 285 HG1 THR 35 HG1 THR 35 -6.119 12.820 4.939 286 HG21 THR 35 3HG2 THR 35 -8.519 10.862 3.877 287 HG22 THR 35 1HG2 THR 35 -9.794 12.023 3.491 288 HG23 THR 35 2HG2 THR 35 -9.457 11.609 5.172 289 H ASP 36 H ASP 36 -7.790 15.379 1.709 290 HA ASP 36 HA ASP 36 -6.858 17.406 1.340 291 HB2 ASP 36 2HB ASP 36 -5.871 17.026 4.204 292 HB3 ASP 36 3HB ASP 36 -5.642 18.526 3.307 293 H GLY 37 H GLY 37 -5.669 16.317 -0.275 294 HA2 GLY 37 2HA GLY 37 -2.903 16.867 -0.384 295 HA3 GLY 37 3HA GLY 37 -3.163 15.142 -0.094 296 H GLU 38 H GLU 38 -2.842 14.140 -2.015 297 HA GLU 38 HA GLU 38 -4.447 14.990 -4.346 298 HB2 GLU 38 2HB GLU 38 -1.541 14.050 -4.436 299 HB3 GLU 38 3HB GLU 38 -2.569 14.264 -5.858 300 HG2 GLU 38 2HG GLU 38 -2.844 16.683 -5.198 301 HG3 GLU 38 3HG GLU 38 -1.653 16.426 -3.925 302 H MET 39 H MET 39 -4.894 13.215 -5.864 303 HA MET 39 HA MET 39 -5.970 11.029 -4.315 304 HB2 MET 39 2HB MET 39 -7.171 12.380 -6.151 305 HB3 MET 39 3HB MET 39 -6.248 11.451 -7.322 306 HG2 MET 39 2HG MET 39 -7.330 9.408 -6.640 307 HG3 MET 39 3HG MET 39 -8.086 10.213 -5.259 308 HE1 MET 39 3HE MET 39 -11.324 9.707 -7.255 309 HE2 MET 39 1HE MET 39 -10.489 9.549 -5.712 310 HE3 MET 39 2HE MET 39 -10.024 8.530 -7.077 311 H LEU 40 H LEU 40 -5.607 8.801 -4.640 312 HA LEU 40 HA LEU 40 -2.870 8.093 -5.095 313 HB2 LEU 40 2HB LEU 40 -5.321 6.364 -4.581 314 HB3 LEU 40 3HB LEU 40 -3.672 5.751 -4.613 315 HG LEU 40 HG LEU 40 -4.751 7.777 -2.606 316 HD11 LEU 40 1HD1 LEU 40 -4.143 4.827 -2.313 317 HD12 LEU 40 2HD1 LEU 40 -5.722 5.614 -2.199 318 HD13 LEU 40 3HD1 LEU 40 -4.497 5.928 -0.971 319 HD21 LEU 40 3HD2 LEU 40 -2.352 8.123 -3.041 320 HD22 LEU 40 1HD2 LEU 40 -2.031 6.417 -2.713 321 HD23 LEU 40 2HD2 LEU 40 -2.615 7.476 -1.425 322 H GLN 41 H GLN 41 -5.856 7.596 -6.917 323 HA GLN 41 HA GLN 41 -4.389 6.814 -9.330 324 HB2 GLN 41 2HB GLN 41 -4.884 4.686 -8.099 325 HB3 GLN 41 3HB GLN 41 -6.590 5.098 -8.067 326 HG2 GLN 41 2HG GLN 41 -6.205 3.447 -9.788 327 HG3 GLN 41 3HG GLN 41 -6.647 4.976 -10.552 328 HE21 GLN 41 1HE2 GLN 41 -3.438 4.171 -9.251 329 HE22 GLN 41 2HE2 GLN 41 -2.636 4.176 -10.776 330 H THR 42 H THR 42 -5.595 7.239 -11.223 331 HA THR 42 HA THR 42 -7.652 9.223 -11.064 332 HB THR 42 HB THR 42 -6.629 7.679 -13.492 333 HG1 THR 42 HG1 THR 42 -5.166 9.327 -13.693 334 HG21 THR 42 3HG2 THR 42 -8.112 10.338 -13.352 335 HG22 THR 42 1HG2 THR 42 -8.773 8.825 -13.984 336 HG23 THR 42 2HG2 THR 42 -7.427 9.617 -14.810 337 H ARG 43 H ARG 43 -9.839 9.036 -11.500 338 HA ARG 43 HA ARG 43 -11.150 6.675 -10.676 339 HB2 ARG 43 2HB ARG 43 -12.340 9.106 -12.077 340 HB3 ARG 43 3HB ARG 43 -13.248 7.892 -11.176 341 HG2 ARG 43 2HG ARG 43 -12.093 8.550 -9.104 342 HG3 ARG 43 3HG ARG 43 -11.153 9.748 -9.994 343 HD2 ARG 43 2HD ARG 43 -14.181 9.789 -9.790 344 HD3 ARG 43 3HD ARG 43 -13.112 10.667 -8.692 345 HE ARG 43 HE ARG 43 -12.473 11.365 -11.353 346 HH11 ARG 43 1HH1 ARG 43 -15.020 11.885 -8.983 347 HH12 ARG 43 2HH1 ARG 43 -15.516 13.402 -9.658 348 HH21 ARG 43 1HH2 ARG 43 -13.162 13.363 -12.233 349 HH22 ARG 43 2HH2 ARG 43 -14.464 14.236 -11.496 350 H GLY 44 H GLY 44 -10.200 7.756 -13.847 351 HA2 GLY 44 2HA GLY 44 -11.933 6.258 -15.492 352 HA3 GLY 44 3HA GLY 44 -10.328 6.820 -15.917 353 H SER 45 H SER 45 -9.189 5.262 -13.579 354 HA SER 45 HA SER 45 -8.821 2.718 -14.968 355 HB2 SER 45 2HB SER 45 -7.444 3.855 -12.496 356 HB3 SER 45 3HB SER 45 -6.946 2.412 -13.389 357 HG SER 45 HG SER 45 -5.938 4.599 -13.837 358 H LYS 46 H LYS 46 -8.695 0.710 -13.651 359 HA LYS 46 HA LYS 46 -10.943 0.398 -11.766 360 HB2 LYS 46 2HB LYS 46 -9.192 -1.671 -13.172 361 HB3 LYS 46 3HB LYS 46 -10.569 -2.050 -12.140 362 HG2 LYS 46 2HG LYS 46 -12.112 -1.053 -13.731 363 HG3 LYS 46 3HG LYS 46 -10.774 -0.466 -14.729 364 HD2 LYS 46 2HD LYS 46 -10.107 -2.820 -15.198 365 HD3 LYS 46 3HD LYS 46 -11.447 -3.397 -14.201 366 HE2 LYS 46 2HE LYS 46 -11.798 -1.704 -16.703 367 HE3 LYS 46 3HE LYS 46 -11.896 -3.465 -16.683 368 HZ1 LYS 46 3HZ LYS 46 -13.762 -3.335 -15.191 369 HZ2 LYS 46 1HZ LYS 46 -14.075 -2.397 -16.559 370 HZ3 LYS 46 2HZ LYS 46 -13.640 -1.654 -15.106 371 H SER 47 H SER 47 -10.241 -1.607 -10.141 372 HA SER 47 HA SER 47 -8.278 -0.608 -8.320 373 HB2 SER 47 2HB SER 47 -8.794 -2.780 -7.069 374 HB3 SER 47 3HB SER 47 -10.190 -1.758 -7.399 375 HG SER 47 HG SER 47 -9.402 -4.037 -8.903 376 H ILE 48 H ILE 48 -6.200 -0.636 -9.047 377 HA ILE 48 HA ILE 48 -5.068 -2.763 -10.655 378 HB ILE 48 HB ILE 48 -3.677 -0.375 -9.348 379 HG12 ILE 48 2HG1 ILE 48 -4.778 -0.700 -12.182 380 HG13 ILE 48 3HG1 ILE 48 -5.450 0.337 -10.926 381 HG21 ILE 48 1HG2 ILE 48 -2.676 -2.201 -11.576 382 HG22 ILE 48 2HG2 ILE 48 -2.057 -2.149 -9.924 383 HG23 ILE 48 3HG2 ILE 48 -1.850 -0.755 -10.983 384 HD11 ILE 48 3HD1 ILE 48 -3.398 1.699 -10.981 385 HD12 ILE 48 1HD1 ILE 48 -4.218 1.637 -12.540 386 HD13 ILE 48 2HD1 ILE 48 -2.766 0.674 -12.273 387 H VAL 49 H VAL 49 -4.744 -4.684 -9.623 388 HA VAL 49 HA VAL 49 -3.952 -4.759 -6.795 389 HB VAL 49 HB VAL 49 -4.668 -7.097 -8.626 390 HG11 VAL 49 1HG1 VAL 49 -4.468 -6.964 -5.586 391 HG12 VAL 49 2HG1 VAL 49 -3.331 -7.781 -6.660 392 HG13 VAL 49 3HG1 VAL 49 -4.988 -8.373 -6.519 393 HG21 VAL 49 3HG2 VAL 49 -6.460 -5.621 -6.650 394 HG22 VAL 49 1HG2 VAL 49 -6.905 -7.068 -7.562 395 HG23 VAL 49 2HG2 VAL 49 -6.593 -5.551 -8.409 396 H ILE 50 H ILE 50 -1.810 -4.586 -6.469 397 HA ILE 50 HA ILE 50 0.152 -5.611 -8.423 398 HB ILE 50 HB ILE 50 0.502 -3.789 -5.990 399 HG12 ILE 50 2HG1 ILE 50 0.533 -2.998 -8.944 400 HG13 ILE 50 3HG1 ILE 50 -0.853 -2.781 -7.879 401 HG21 ILE 50 1HG2 ILE 50 2.567 -5.018 -6.481 402 HG22 ILE 50 2HG2 ILE 50 2.761 -3.313 -6.888 403 HG23 ILE 50 3HG2 ILE 50 2.501 -4.500 -8.166 404 HD11 ILE 50 3HD1 ILE 50 0.386 -0.717 -8.172 405 HD12 ILE 50 1HD1 ILE 50 1.846 -1.472 -7.532 406 HD13 ILE 50 2HD1 ILE 50 0.436 -1.247 -6.493 407 H LYS 51 H LYS 51 0.695 -7.730 -7.983 408 HA LYS 51 HA LYS 51 0.754 -8.689 -5.178 409 HB2 LYS 51 2HB LYS 51 0.620 -10.219 -7.811 410 HB3 LYS 51 3HB LYS 51 0.658 -10.966 -6.212 411 HG2 LYS 51 2HG LYS 51 -1.495 -9.984 -5.642 412 HG3 LYS 51 3HG LYS 51 -1.526 -9.075 -7.161 413 HD2 LYS 51 2HD LYS 51 -1.605 -11.203 -8.429 414 HD3 LYS 51 3HD LYS 51 -1.562 -12.117 -6.918 415 HE2 LYS 51 2HE LYS 51 -3.742 -11.242 -6.279 416 HE3 LYS 51 3HE LYS 51 -3.759 -10.157 -7.673 417 HZ1 LYS 51 3HZ LYS 51 -5.115 -12.095 -8.071 418 HZ2 LYS 51 1HZ LYS 51 -3.804 -13.126 -7.783 419 HZ3 LYS 51 2HZ LYS 51 -3.793 -12.091 -9.120 420 H ASN 52 H ASN 52 2.577 -9.662 -4.328 421 HA ASN 52 HA ASN 52 5.069 -8.636 -5.149 422 HB2 ASN 52 2HB ASN 52 6.018 -9.930 -3.290 423 HB3 ASN 52 3HB ASN 52 4.531 -9.133 -2.801 424 HD21 ASN 52 1HD2 ASN 52 5.832 -11.403 -1.561 425 HD22 ASN 52 2HD2 ASN 52 4.685 -12.693 -1.567 426 H THR 53 H THR 53 3.473 -11.616 -5.999 427 HA THR 53 HA THR 53 5.738 -13.103 -6.878 428 HB THR 53 HB THR 53 3.691 -14.299 -6.372 429 HG1 THR 53 HG1 THR 53 5.071 -14.948 -8.245 430 HG21 THR 53 3HG2 THR 53 2.338 -12.755 -8.619 431 HG22 THR 53 1HG2 THR 53 1.991 -12.594 -6.894 432 HG23 THR 53 2HG2 THR 53 1.622 -14.103 -7.733 433 H ASP 54 H ASP 54 3.594 -10.733 -8.383 434 HA ASP 54 HA ASP 54 4.964 -10.967 -10.999 435 HB2 ASP 54 2HB ASP 54 2.486 -9.335 -10.250 436 HB3 ASP 54 3HB ASP 54 3.164 -9.497 -11.868 437 H GLU 55 H GLU 55 6.913 -10.135 -10.070 438 HA GLU 55 HA GLU 55 7.070 -7.722 -8.605 439 HB2 GLU 55 2HB GLU 55 8.737 -9.597 -8.514 440 HB3 GLU 55 3HB GLU 55 9.321 -9.110 -10.099 441 HG2 GLU 55 2HG GLU 55 10.110 -6.976 -9.223 442 HG3 GLU 55 3HG GLU 55 9.351 -7.289 -7.665 443 H ASN 56 H ASN 56 6.793 -8.238 -12.013 444 HA ASN 56 HA ASN 56 7.996 -5.865 -12.973 445 HB2 ASN 56 2HB ASN 56 6.672 -6.171 -15.004 446 HB3 ASN 56 3HB ASN 56 7.317 -7.718 -14.481 447 HD21 ASN 56 1HD2 ASN 56 5.057 -7.109 -16.230 448 HD22 ASN 56 2HD2 ASN 56 3.683 -7.898 -15.536 449 H LEU 57 H LEU 57 4.795 -6.555 -11.603 450 HA LEU 57 HA LEU 57 3.558 -4.036 -12.108 451 HB2 LEU 57 2HB LEU 57 2.974 -6.058 -9.899 452 HB3 LEU 57 3HB LEU 57 1.932 -4.706 -10.329 453 HG LEU 57 HG LEU 57 2.562 -7.121 -12.076 454 HD11 LEU 57 1HD1 LEU 57 0.205 -7.697 -11.795 455 HD12 LEU 57 2HD1 LEU 57 -0.027 -6.309 -10.725 456 HD13 LEU 57 3HD1 LEU 57 1.034 -7.635 -10.240 457 HD21 LEU 57 3HD2 LEU 57 0.778 -4.741 -12.710 458 HD22 LEU 57 1HD2 LEU 57 0.922 -6.213 -13.677 459 HD23 LEU 57 2HD2 LEU 57 2.308 -5.144 -13.497 460 H ILE 58 H ILE 58 5.507 -5.311 -9.475 461 HA ILE 58 HA ILE 58 5.466 -3.108 -7.704 462 HB ILE 58 HB ILE 58 7.507 -5.329 -8.137 463 HG12 ILE 58 2HG1 ILE 58 6.801 -5.975 -5.773 464 HG13 ILE 58 3HG1 ILE 58 5.581 -4.712 -5.848 465 HG21 ILE 58 1HG2 ILE 58 8.750 -4.597 -6.126 466 HG22 ILE 58 2HG2 ILE 58 7.761 -3.135 -6.051 467 HG23 ILE 58 3HG2 ILE 58 8.838 -3.405 -7.423 468 HD11 ILE 58 3HD1 ILE 58 5.731 -7.192 -7.537 469 HD12 ILE 58 1HD1 ILE 58 4.543 -5.904 -7.741 470 HD13 ILE 58 2HD1 ILE 58 4.588 -6.833 -6.245 471 H ASN 59 H ASN 59 7.686 -3.956 -10.364 472 HA ASN 59 HA ASN 59 9.404 -1.723 -10.113 473 HB2 ASN 59 2HB ASN 59 8.920 -3.531 -12.516 474 HB3 ASN 59 3HB ASN 59 10.271 -2.408 -12.353 475 HD21 ASN 59 1HD2 ASN 59 10.211 -5.358 -12.615 476 HD22 ASN 59 2HD2 ASN 59 11.111 -5.961 -11.278 477 H HIS 60 H HIS 60 6.312 -2.105 -11.743 478 HA HIS 60 HA HIS 60 6.466 0.248 -13.386 479 HB2 HIS 60 2HB HIS 60 4.012 -1.239 -12.358 480 HB3 HIS 60 3HB HIS 60 3.991 -0.000 -13.610 481 HD1 HIS 60 HD1 HIS 60 3.189 -3.153 -13.779 482 HD2 HIS 60 HD2 HIS 60 6.528 -1.280 -15.393 483 HE1 HIS 60 HE1 HIS 60 3.988 -4.659 -15.623 484 HE2 HIS 60 HE2 HIS 60 5.958 -3.460 -16.640 485 H SER 61 H SER 61 5.397 -0.474 -10.108 486 HA SER 61 HA SER 61 4.432 2.296 -9.705 487 HB2 SER 61 2HB SER 61 3.813 -0.239 -8.132 488 HB3 SER 61 3HB SER 61 3.094 1.350 -7.863 489 HG SER 61 HG SER 61 2.903 0.445 -10.453 490 H LYS 62 H LYS 62 5.945 3.573 -8.770 491 HA LYS 62 HA LYS 62 8.197 2.819 -7.301 492 HB2 LYS 62 2HB LYS 62 7.975 5.056 -8.253 493 HB3 LYS 62 3HB LYS 62 6.614 5.420 -7.196 494 HG2 LYS 62 2HG LYS 62 8.105 5.329 -5.220 495 HG3 LYS 62 3HG LYS 62 9.472 4.916 -6.258 496 HD2 LYS 62 2HD LYS 62 7.887 7.513 -6.422 497 HD3 LYS 62 3HD LYS 62 9.424 7.323 -5.573 498 HE2 LYS 62 2HE LYS 62 10.547 6.761 -7.687 499 HE3 LYS 62 3HE LYS 62 9.008 6.871 -8.552 500 HZ1 LYS 62 3HZ LYS 62 8.877 9.188 -7.977 501 HZ2 LYS 62 1HZ LYS 62 10.320 8.867 -8.796 502 HZ3 LYS 62 2HZ LYS 62 10.335 9.106 -7.120 503 H LEU 63 H LEU 63 4.917 3.582 -6.177 504 HA LEU 63 HA LEU 63 5.362 3.604 -3.400 505 HB2 LEU 63 2HB LEU 63 3.271 4.357 -4.635 506 HB3 LEU 63 3HB LEU 63 2.819 2.671 -4.776 507 HG LEU 63 HG LEU 63 2.699 2.491 -2.292 508 HD11 LEU 63 1HD1 LEU 63 2.838 4.493 -0.879 509 HD12 LEU 63 2HD1 LEU 63 3.318 5.462 -2.274 510 HD13 LEU 63 3HD1 LEU 63 4.368 4.170 -1.686 511 HD21 LEU 63 3HD2 LEU 63 0.661 3.811 -1.959 512 HD22 LEU 63 1HD2 LEU 63 0.662 3.050 -3.550 513 HD23 LEU 63 2HD2 LEU 63 1.023 4.773 -3.396 514 H ALA 64 H ALA 64 4.632 0.925 -5.629 515 HA ALA 64 HA ALA 64 4.263 -1.109 -3.686 516 HB1 ALA 64 3HB ALA 64 4.508 -2.669 -5.571 517 HB2 ALA 64 1HB ALA 64 5.108 -1.358 -6.589 518 HB3 ALA 64 2HB ALA 64 3.446 -1.323 -5.993 519 H GLN 65 H GLN 65 7.093 -0.043 -5.574 520 HA GLN 65 HA GLN 65 9.007 -1.891 -4.711 521 HB2 GLN 65 2HB GLN 65 9.409 1.063 -5.382 522 HB3 GLN 65 3HB GLN 65 10.698 -0.140 -5.290 523 HG2 GLN 65 2HG GLN 65 9.779 -1.343 -7.181 524 HG3 GLN 65 3HG GLN 65 8.367 -0.289 -7.216 525 HE21 GLN 65 1HE2 GLN 65 8.700 0.372 -9.314 526 HE22 GLN 65 2HE2 GLN 65 10.018 1.379 -9.796 527 H GLN 66 H GLN 66 8.161 1.290 -3.345 528 HA GLN 66 HA GLN 66 9.847 1.337 -1.127 529 HB2 GLN 66 2HB GLN 66 7.182 2.674 -1.713 530 HB3 GLN 66 3HB GLN 66 8.079 3.006 -0.238 531 HG2 GLN 66 2HG GLN 66 9.189 3.455 -3.031 532 HG3 GLN 66 3HG GLN 66 8.406 4.702 -2.059 533 HE21 GLN 66 1HE2 GLN 66 11.262 2.700 -2.382 534 HE22 GLN 66 2HE2 GLN 66 12.240 3.565 -1.253 535 H ILE 67 H ILE 67 6.423 0.207 -1.310 536 HA ILE 67 HA ILE 67 6.138 -0.240 1.480 537 HB ILE 67 HB ILE 67 4.445 -1.157 -0.880 538 HG12 ILE 67 2HG1 ILE 67 3.992 0.989 1.255 539 HG13 ILE 67 3HG1 ILE 67 4.411 1.277 -0.428 540 HG21 ILE 67 1HG2 ILE 67 2.669 -1.830 0.725 541 HG22 ILE 67 2HG2 ILE 67 3.781 -1.554 2.067 542 HG23 ILE 67 3HG2 ILE 67 4.113 -2.827 0.891 543 HD11 ILE 67 3HD1 ILE 67 2.233 0.335 -1.106 544 HD12 ILE 67 1HD1 ILE 67 2.079 1.735 -0.045 545 HD13 ILE 67 2HD1 ILE 67 1.818 0.115 0.598 546 H PHE 68 H PHE 68 6.627 -2.553 -1.227 547 HA PHE 68 HA PHE 68 6.729 -4.870 0.417 548 HB2 PHE 68 2HB PHE 68 7.620 -4.394 -2.453 549 HB3 PHE 68 3HB PHE 68 7.767 -5.966 -1.672 550 HD1 PHE 68 HD1 PHE 68 5.563 -6.967 -0.646 551 HD2 PHE 68 HD2 PHE 68 5.587 -3.886 -3.608 552 HE1 PHE 68 HE1 PHE 68 3.260 -7.539 -1.286 553 HE2 PHE 68 HE2 PHE 68 3.290 -4.461 -4.228 554 HZ PHE 68 HZ PHE 68 2.121 -6.291 -3.076 555 H LEU 69 H LEU 69 9.254 -2.577 -0.610 556 HA LEU 69 HA LEU 69 11.502 -4.157 0.187 557 HB2 LEU 69 2HB LEU 69 11.759 -2.251 -1.326 558 HB3 LEU 69 3HB LEU 69 11.163 -1.152 -0.097 559 HG LEU 69 HG LEU 69 13.225 -1.695 1.293 560 HD11 LEU 69 1HD1 LEU 69 13.819 -3.852 0.334 561 HD12 LEU 69 2HD1 LEU 69 15.164 -2.724 0.185 562 HD13 LEU 69 3HD1 LEU 69 14.167 -3.096 -1.225 563 HD21 LEU 69 3HD2 LEU 69 13.731 -0.466 -1.435 564 HD22 LEU 69 1HD2 LEU 69 14.744 -0.262 -0.000 565 HD23 LEU 69 2HD2 LEU 69 13.098 0.367 -0.011 566 H GLN 70 H GLN 70 9.858 -1.411 1.783 567 HA GLN 70 HA GLN 70 11.500 -1.664 4.168 568 HB2 GLN 70 2HB GLN 70 9.347 0.330 3.353 569 HB3 GLN 70 3HB GLN 70 10.264 0.445 4.857 570 HG2 GLN 70 2HG GLN 70 12.315 0.830 3.698 571 HG3 GLN 70 3HG GLN 70 11.630 0.358 2.149 572 HE21 GLN 70 1HE2 GLN 70 10.345 1.815 1.027 573 HE22 GLN 70 2HE2 GLN 70 10.316 3.500 1.398 574 H CYS 71 H CYS 71 8.453 -2.869 3.172 575 HA CYS 71 HA CYS 71 8.224 -4.212 5.762 576 HB2 CYS 71 2HB CYS 71 6.599 -2.361 5.923 577 HB3 CYS 71 3HB CYS 71 5.885 -2.827 4.381 578 HG CYS 71 HG CYS 71 4.737 -5.135 5.241 579 HA PRO 72 HA PRO 72 8.057 -7.134 2.121 580 HB2 PRO 72 2HB PRO 72 9.622 -8.926 3.917 581 HB3 PRO 72 3HB PRO 72 10.029 -8.337 2.293 582 HG2 PRO 72 2HG PRO 72 11.355 -7.455 4.458 583 HG3 PRO 72 3HG PRO 72 11.004 -6.388 3.079 584 HD2 PRO 72 2HD PRO 72 9.534 -6.582 5.716 585 HD3 PRO 72 3HD PRO 72 10.076 -5.134 4.831 586 H GLY 73 H GLY 73 6.644 -7.044 5.132 587 HA2 GLY 73 2HA GLY 73 5.502 -9.700 5.211 588 HA3 GLY 73 3HA GLY 73 5.146 -8.355 6.279 589 H VAL 74 H VAL 74 4.829 -7.029 3.342 590 HA VAL 74 HA VAL 74 1.942 -7.377 3.213 591 HB VAL 74 HB VAL 74 3.825 -5.699 1.488 592 HG11 VAL 74 1HG1 VAL 74 1.748 -6.203 0.260 593 HG12 VAL 74 2HG1 VAL 74 1.786 -4.502 0.727 594 HG13 VAL 74 3HG1 VAL 74 0.783 -5.642 1.629 595 HG21 VAL 74 3HG2 VAL 74 2.044 -4.875 3.823 596 HG22 VAL 74 1HG2 VAL 74 2.977 -3.766 2.813 597 HG23 VAL 74 2HG2 VAL 74 3.809 -4.939 3.836 598 H GLU 75 H GLU 75 0.916 -8.689 1.820 599 HA GLU 75 HA GLU 75 2.326 -10.485 0.025 600 HB2 GLU 75 2HB GLU 75 -0.564 -10.204 0.944 601 HB3 GLU 75 3HB GLU 75 -0.123 -11.325 -0.343 602 HG2 GLU 75 2HG GLU 75 1.079 -11.405 2.447 603 HG3 GLU 75 3HG GLU 75 -0.334 -12.345 1.953 604 H SER 76 H SER 76 -0.205 -7.983 -0.213 605 HA SER 76 HA SER 76 0.494 -7.362 -2.953 606 HB2 SER 76 2HB SER 76 -1.806 -7.838 -3.845 607 HB3 SER 76 3HB SER 76 -0.976 -9.304 -3.321 608 HG SER 76 HG SER 76 -2.216 -9.311 -1.454 609 H LEU 77 H LEU 77 -0.462 -5.479 -3.696 610 HA LEU 77 HA LEU 77 -1.875 -3.752 -1.771 611 HB2 LEU 77 2HB LEU 77 -0.573 -2.931 -4.408 612 HB3 LEU 77 3HB LEU 77 -1.140 -1.874 -3.121 613 HG LEU 77 HG LEU 77 1.325 -3.665 -3.067 614 HD11 LEU 77 1HD1 LEU 77 1.071 -0.645 -3.044 615 HD12 LEU 77 2HD1 LEU 77 1.633 -1.649 -4.386 616 HD13 LEU 77 3HD1 LEU 77 2.574 -1.565 -2.900 617 HD21 LEU 77 3HD2 LEU 77 0.297 -1.871 -0.849 618 HD22 LEU 77 1HD2 LEU 77 1.817 -2.770 -0.853 619 HD23 LEU 77 2HD2 LEU 77 0.285 -3.636 -0.838 620 H MET 78 H MET 78 -3.887 -2.917 -2.428 621 HA MET 78 HA MET 78 -4.802 -3.457 -5.199 622 HB2 MET 78 2HB MET 78 -6.144 -4.849 -3.669 623 HB3 MET 78 3HB MET 78 -6.493 -3.456 -2.663 624 HG2 MET 78 2HG MET 78 -7.813 -2.445 -4.456 625 HG3 MET 78 3HG MET 78 -7.396 -3.775 -5.538 626 HE1 MET 78 3HE MET 78 -8.378 -6.261 -5.288 627 HE2 MET 78 1HE MET 78 -9.349 -6.771 -3.906 628 HE3 MET 78 2HE MET 78 -7.651 -6.352 -3.682 629 H ILE 79 H ILE 79 -4.386 -1.544 -6.100 630 HA ILE 79 HA ILE 79 -4.607 0.954 -4.653 631 HB ILE 79 HB ILE 79 -4.104 0.684 -7.652 632 HG12 ILE 79 2HG1 ILE 79 -2.392 -0.712 -6.532 633 HG13 ILE 79 3HG1 ILE 79 -1.666 0.722 -7.234 634 HG21 ILE 79 1HG2 ILE 79 -3.433 2.887 -5.642 635 HG22 ILE 79 2HG2 ILE 79 -4.683 2.938 -6.891 636 HG23 ILE 79 3HG2 ILE 79 -2.984 2.899 -7.354 637 HD11 ILE 79 3HD1 ILE 79 -0.684 0.190 -5.108 638 HD12 ILE 79 1HD1 ILE 79 -2.256 0.269 -4.320 639 HD13 ILE 79 2HD1 ILE 79 -1.537 1.730 -5.004 640 H GLY 80 H GLY 80 -6.637 1.607 -4.337 641 HA2 GLY 80 2HA GLY 80 -8.714 1.374 -6.409 642 HA3 GLY 80 3HA GLY 80 -8.922 1.965 -4.759 643 H ASP 81 H ASP 81 -9.979 3.440 -6.757 644 HA ASP 81 HA ASP 81 -8.331 5.393 -7.898 645 HB2 ASP 81 2HB ASP 81 -10.439 6.722 -8.216 646 HB3 ASP 81 3HB ASP 81 -10.541 5.062 -8.786 647 H ASP 82 H ASP 82 -10.283 5.585 -4.892 648 HA ASP 82 HA ASP 82 -8.635 7.876 -3.992 649 HB2 ASP 82 2HB ASP 82 -10.456 8.472 -2.487 650 HB3 ASP 82 3HB ASP 82 -11.113 8.260 -4.106 651 H PHE 83 H PHE 83 -9.489 4.565 -3.257 652 HA PHE 83 HA PHE 83 -8.350 4.720 -0.534 653 HB2 PHE 83 2HB PHE 83 -9.497 2.606 -0.099 654 HB3 PHE 83 3HB PHE 83 -10.625 3.779 -0.752 655 HD1 PHE 83 HD2 PHE 83 -11.475 3.518 -3.130 656 HD2 PHE 83 HD1 PHE 83 -9.060 0.512 -1.255 657 HE1 PHE 83 HE2 PHE 83 -12.201 1.874 -4.809 658 HE2 PHE 83 HE1 PHE 83 -9.793 -1.117 -2.941 659 HZ PHE 83 HZ PHE 83 -11.362 -0.443 -4.716 660 H LEU 84 H LEU 84 -6.901 3.028 0.218 661 HA LEU 84 HA LEU 84 -5.534 1.388 -1.836 662 HB2 LEU 84 2HB LEU 84 -4.029 3.237 -1.374 663 HB3 LEU 84 3HB LEU 84 -4.220 3.039 0.358 664 HG LEU 84 HG LEU 84 -2.961 0.926 0.305 665 HD11 LEU 84 1HD1 LEU 84 -1.886 0.092 -1.742 666 HD12 LEU 84 2HD1 LEU 84 -2.745 1.310 -2.691 667 HD13 LEU 84 3HD1 LEU 84 -3.644 0.044 -1.851 668 HD21 LEU 84 3HD2 LEU 84 -0.747 1.774 -0.314 669 HD22 LEU 84 1HD2 LEU 84 -1.679 2.989 0.559 670 HD23 LEU 84 2HD2 LEU 84 -1.492 3.115 -1.192 671 H THR 85 H THR 85 -5.959 -0.649 -1.328 672 HA THR 85 HA THR 85 -6.509 -1.424 1.466 673 HB THR 85 HB THR 85 -7.144 -2.925 -1.116 674 HG1 THR 85 HG1 THR 85 -8.198 -0.736 -0.432 675 HG21 THR 85 3HG2 THR 85 -8.196 -3.313 1.713 676 HG22 THR 85 1HG2 THR 85 -7.065 -4.385 0.888 677 HG23 THR 85 2HG2 THR 85 -8.716 -4.215 0.286 678 H ILE 86 H ILE 86 -4.628 -2.009 2.383 679 HA ILE 86 HA ILE 86 -2.503 -3.401 0.942 680 HB ILE 86 HB ILE 86 -2.651 -2.590 3.884 681 HG12 ILE 86 2HG1 ILE 86 -2.757 -0.607 2.363 682 HG13 ILE 86 3HG1 ILE 86 -1.288 -0.634 3.327 683 HG21 ILE 86 1HG2 ILE 86 -1.021 -4.404 3.508 684 HG22 ILE 86 2HG2 ILE 86 -0.187 -2.904 3.913 685 HG23 ILE 86 3HG2 ILE 86 -0.234 -3.460 2.239 686 HD11 ILE 86 3HD1 ILE 86 -0.844 0.091 1.091 687 HD12 ILE 86 1HD1 ILE 86 -1.530 -1.389 0.427 688 HD13 ILE 86 2HD1 ILE 86 -0.046 -1.452 1.387 689 H ASN 87 H ASN 87 -2.379 -5.564 0.927 690 HA ASN 87 HA ASN 87 -3.823 -7.199 2.932 691 HB2 ASN 87 2HB ASN 87 -2.961 -7.917 0.088 692 HB3 ASN 87 3HB ASN 87 -3.798 -8.998 1.203 693 HD21 ASN 87 1HD2 ASN 87 -4.126 -6.184 -0.863 694 HD22 ASN 87 2HD2 ASN 87 -5.852 -6.130 -0.846 695 H LYS 88 H LYS 88 -2.571 -8.344 4.298 696 HA LYS 88 HA LYS 88 0.347 -8.507 3.753 697 HB2 LYS 88 2HB LYS 88 0.874 -7.628 5.809 698 HB3 LYS 88 3HB LYS 88 -0.680 -6.847 5.624 699 HG2 LYS 88 2HG LYS 88 -0.103 -9.319 7.283 700 HG3 LYS 88 3HG LYS 88 -0.314 -7.684 7.898 701 HD2 LYS 88 2HD LYS 88 -2.692 -7.741 7.111 702 HD3 LYS 88 3HD LYS 88 -2.460 -9.409 6.579 703 HE2 LYS 88 2HE LYS 88 -1.981 -10.093 8.894 704 HE3 LYS 88 3HE LYS 88 -2.132 -8.422 9.441 705 HZ1 LYS 88 3HZ LYS 88 -4.128 -9.599 9.927 706 HZ2 LYS 88 1HZ LYS 88 -4.289 -10.134 8.334 707 HZ3 LYS 88 2HZ LYS 88 -4.464 -8.494 8.697 708 H ASP 89 H ASP 89 1.384 -10.167 5.399 709 HA ASP 89 HA ASP 89 -0.055 -12.721 5.185 710 HB2 ASP 89 2HB ASP 89 2.341 -12.592 4.472 711 HB3 ASP 89 3HB ASP 89 2.798 -12.154 6.113 712 H ARG 90 H ARG 90 -0.171 -14.181 7.037 713 HA ARG 90 HA ARG 90 -1.596 -13.071 9.165 714 HB2 ARG 90 2HB ARG 90 -1.709 -15.333 10.084 715 HB3 ARG 90 3HB ARG 90 -1.923 -15.377 8.337 716 HG2 ARG 90 2HG ARG 90 0.346 -16.209 8.014 717 HG3 ARG 90 3HG ARG 90 0.717 -15.995 9.724 718 HD2 ARG 90 2HD ARG 90 -1.072 -17.699 10.235 719 HD3 ARG 90 3HD ARG 90 -1.197 -18.002 8.498 720 HE ARG 90 HE ARG 90 1.308 -18.511 8.682 721 HH11 ARG 90 1HH1 ARG 90 -0.971 -19.211 11.274 722 HH12 ARG 90 2HH1 ARG 90 -0.021 -20.513 11.911 723 HH21 ARG 90 1HH2 ARG 90 2.534 -20.216 9.539 724 HH22 ARG 90 2HH2 ARG 90 1.962 -21.080 10.931 725 H MET 91 H MET 91 1.835 -13.970 9.029 726 HA MET 91 HA MET 91 2.247 -13.945 11.885 727 HB2 MET 91 2HB MET 91 4.234 -14.011 9.579 728 HB3 MET 91 3HB MET 91 4.691 -14.126 11.273 729 HG2 MET 91 2HG MET 91 3.382 -16.213 11.473 730 HG3 MET 91 3HG MET 91 2.972 -16.110 9.758 731 HE1 MET 91 3HE MET 91 7.326 -16.667 11.268 732 HE2 MET 91 1HE MET 91 5.961 -16.405 12.350 733 HE3 MET 91 2HE MET 91 6.518 -15.101 11.298 734 H VAL 92 H VAL 92 2.168 -11.516 9.453 735 HA VAL 92 HA VAL 92 3.907 -9.672 10.977 736 HB VAL 92 HB VAL 92 2.910 -9.265 8.118 737 HG11 VAL 92 1HG1 VAL 92 4.840 -7.701 7.976 738 HG12 VAL 92 2HG1 VAL 92 5.246 -8.047 9.659 739 HG13 VAL 92 3HG1 VAL 92 3.729 -7.236 9.267 740 HG21 VAL 92 3HG2 VAL 92 5.099 -10.149 7.334 741 HG22 VAL 92 1HG2 VAL 92 4.169 -11.391 8.171 742 HG23 VAL 92 2HG2 VAL 92 5.515 -10.594 8.986 743 H HIS 93 H HIS 93 2.942 -8.105 12.081 744 HA HIS 93 HA HIS 93 0.005 -7.807 11.934 745 HB2 HIS 93 2HB HIS 93 1.354 -8.619 14.059 746 HB3 HIS 93 3HB HIS 93 1.753 -6.922 14.266 747 HD1 HIS 93 HD1 HIS 93 0.472 -7.312 16.566 748 HD2 HIS 93 HD2 HIS 93 -1.918 -7.436 13.176 749 HE1 HIS 93 HE1 HIS 93 -1.887 -7.122 17.395 750 HE2 HIS 93 HE2 HIS 93 -3.319 -7.376 15.339 751 H TRP 94 H TRP 94 -0.915 -5.656 12.153 752 HA TRP 94 HA TRP 94 0.155 -3.854 10.297 753 HB2 TRP 94 2HB TRP 94 -2.065 -3.387 12.326 754 HB3 TRP 94 3HB TRP 94 -1.728 -2.341 10.947 755 HD1 TRP 94 HD1 TRP 94 -3.899 -5.173 11.869 756 HE1 TRP 94 HE1 TRP 94 -4.951 -6.235 9.776 757 HE3 TRP 94 HE3 TRP 94 -0.900 -3.067 8.277 758 HZ2 TRP 94 HZ2 TRP 94 -4.551 -6.214 6.992 759 HZ3 TRP 94 HZ3 TRP 94 -1.303 -3.656 5.920 760 HH2 TRP 94 HH2 TRP 94 -3.091 -5.200 5.293 761 H ASN 95 H ASN 95 0.864 -4.049 13.653 762 HA ASN 95 HA ASN 95 1.526 -1.425 14.340 763 HB2 ASN 95 2HB ASN 95 1.432 -3.215 16.001 764 HB3 ASN 95 3HB ASN 95 2.761 -4.067 15.224 765 HD21 ASN 95 1HD2 ASN 95 1.894 -1.250 17.135 766 HD22 ASN 95 2HD2 ASN 95 3.482 -0.929 17.731 767 H SER 96 H SER 96 3.372 -3.838 12.543 768 HA SER 96 HA SER 96 5.792 -2.186 12.415 769 HB2 SER 96 2HB SER 96 5.943 -4.649 12.896 770 HB3 SER 96 3HB SER 96 5.254 -4.981 11.307 771 HG SER 96 HG SER 96 7.399 -3.302 11.172 772 H ILE 97 H ILE 97 2.936 -2.536 10.613 773 HA ILE 97 HA ILE 97 4.185 -2.316 7.932 774 HB ILE 97 HB ILE 97 1.314 -3.001 8.728 775 HG12 ILE 97 2HG1 ILE 97 3.526 -4.905 7.831 776 HG13 ILE 97 3HG1 ILE 97 2.962 -4.722 9.490 777 HG21 ILE 97 1HG2 ILE 97 1.447 -2.072 6.454 778 HG22 ILE 97 2HG2 ILE 97 1.017 -3.780 6.403 779 HG23 ILE 97 3HG2 ILE 97 2.664 -3.272 6.016 780 HD11 ILE 97 3HD1 ILE 97 1.365 -5.759 7.154 781 HD12 ILE 97 1HD1 ILE 97 0.727 -5.489 8.780 782 HD13 ILE 97 2HD1 ILE 97 1.996 -6.681 8.518 783 H LYS 98 H LYS 98 1.496 -0.983 9.843 784 HA LYS 98 HA LYS 98 0.432 0.772 7.997 785 HB2 LYS 98 2HB LYS 98 -0.753 0.018 10.035 786 HB3 LYS 98 3HB LYS 98 0.328 0.988 11.027 787 HG2 LYS 98 2HG LYS 98 -0.558 3.007 9.628 788 HG3 LYS 98 3HG LYS 98 -1.854 1.914 9.153 789 HD2 LYS 98 2HD LYS 98 -2.600 3.272 11.015 790 HD3 LYS 98 3HD LYS 98 -2.426 1.603 11.568 791 HE2 LYS 98 2HE LYS 98 -0.295 2.153 12.658 792 HE3 LYS 98 3HE LYS 98 -0.349 3.790 11.996 793 HZ1 LYS 98 3HZ LYS 98 -1.059 3.709 14.313 794 HZ2 LYS 98 1HZ LYS 98 -2.319 2.659 13.907 795 HZ3 LYS 98 2HZ LYS 98 -2.309 4.237 13.308 796 HA PRO 99 HA PRO 99 2.785 4.572 10.100 797 HB2 PRO 99 2HB PRO 99 5.252 4.054 11.293 798 HB3 PRO 99 3HB PRO 99 3.719 4.121 12.192 799 HG2 PRO 99 2HG PRO 99 5.179 1.707 11.137 800 HG3 PRO 99 3HG PRO 99 4.447 1.964 12.740 801 HD2 PRO 99 2HD PRO 99 3.152 0.537 10.879 802 HD3 PRO 99 3HD PRO 99 2.256 1.644 11.942 803 H GLU 100 H GLU 100 4.797 1.931 8.853 804 HA GLU 100 HA GLU 100 6.691 3.433 7.408 805 HB2 GLU 100 2HB GLU 100 5.657 0.644 6.708 806 HB3 GLU 100 3HB GLU 100 7.212 1.344 6.246 807 HG2 GLU 100 2HG GLU 100 6.308 0.515 9.024 808 HG3 GLU 100 3HG GLU 100 7.533 -0.266 8.028 809 H ILE 101 H ILE 101 3.603 1.945 6.423 810 HA ILE 101 HA ILE 101 3.718 2.753 3.699 811 HB ILE 101 HB ILE 101 1.445 1.738 5.443 812 HG12 ILE 101 2HG1 ILE 101 3.180 0.433 3.292 813 HG13 ILE 101 3HG1 ILE 101 3.239 0.118 5.024 814 HG21 ILE 101 1HG2 ILE 101 1.317 2.182 2.435 815 HG22 ILE 101 2HG2 ILE 101 0.415 3.087 3.651 816 HG23 ILE 101 3HG2 ILE 101 0.087 1.372 3.412 817 HD11 ILE 101 3HD1 ILE 101 0.960 -0.833 4.872 818 HD12 ILE 101 1HD1 ILE 101 2.159 -1.684 3.901 819 HD13 ILE 101 2HD1 ILE 101 1.016 -0.593 3.123 820 H ILE 102 H ILE 102 2.080 4.227 6.543 821 HA ILE 102 HA ILE 102 0.763 6.339 5.266 822 HB ILE 102 HB ILE 102 1.956 6.171 8.070 823 HG12 ILE 102 2HG1 ILE 102 -0.908 5.875 7.042 824 HG13 ILE 102 3HG1 ILE 102 0.125 4.579 7.633 825 HG21 ILE 102 1HG2 ILE 102 0.585 8.137 8.704 826 HG22 ILE 102 2HG2 ILE 102 0.112 8.349 7.018 827 HG23 ILE 102 3HG2 ILE 102 1.797 8.556 7.494 828 HD11 ILE 102 3HD1 ILE 102 -1.529 5.165 9.280 829 HD12 ILE 102 1HD1 ILE 102 -1.007 6.849 9.269 830 HD13 ILE 102 2HD1 ILE 102 0.075 5.591 9.876 831 H ASP 103 H ASP 103 4.128 6.127 6.445 832 HA ASP 103 HA ASP 103 5.046 8.713 5.845 833 HB2 ASP 103 2HB ASP 103 6.428 7.175 7.133 834 HB3 ASP 103 3HB ASP 103 6.501 6.030 5.802 835 H LEU 104 H LEU 104 5.058 5.780 3.821 836 HA LEU 104 HA LEU 104 6.364 6.849 1.556 837 HB2 LEU 104 2HB LEU 104 4.490 4.458 1.767 838 HB3 LEU 104 3HB LEU 104 5.615 4.752 0.443 839 HG LEU 104 HG LEU 104 6.449 4.316 3.335 840 HD11 LEU 104 1HD1 LEU 104 7.221 2.106 2.689 841 HD12 LEU 104 2HD1 LEU 104 6.554 2.326 1.068 842 HD13 LEU 104 3HD1 LEU 104 5.480 2.271 2.469 843 HD21 LEU 104 3HD2 LEU 104 8.717 4.074 2.443 844 HD22 LEU 104 1HD2 LEU 104 8.054 5.674 2.125 845 HD23 LEU 104 2HD2 LEU 104 8.133 4.479 0.827 846 H LEU 105 H LEU 105 2.944 6.612 2.380 847 HA LEU 105 HA LEU 105 1.880 7.449 -0.132 848 HB2 LEU 105 2HB LEU 105 0.785 7.055 2.638 849 HB3 LEU 105 3HB LEU 105 -0.154 8.052 1.544 850 HG LEU 105 HG LEU 105 -0.403 6.195 -0.035 851 HD11 LEU 105 1HD1 LEU 105 0.376 3.941 0.444 852 HD12 LEU 105 2HD1 LEU 105 1.194 4.508 1.899 853 HD13 LEU 105 3HD1 LEU 105 1.733 5.053 0.311 854 HD21 LEU 105 3HD2 LEU 105 -1.837 4.740 1.320 855 HD22 LEU 105 1HD2 LEU 105 -2.061 6.433 1.748 856 HD23 LEU 105 2HD2 LEU 105 -1.112 5.377 2.799 857 H THR 106 H THR 106 3.148 9.173 2.669 858 HA THR 106 HA THR 106 2.002 11.736 1.947 859 HB THR 106 HB THR 106 4.211 11.071 3.956 860 HG1 THR 106 HG1 THR 106 2.018 10.157 4.274 861 HG21 THR 106 3HG2 THR 106 2.491 13.585 3.743 862 HG22 THR 106 1HG2 THR 106 4.198 13.491 3.303 863 HG23 THR 106 2HG2 THR 106 3.706 13.263 4.982 864 H LYS 107 H LYS 107 5.123 10.013 1.669 865 HA LYS 107 HA LYS 107 6.771 12.027 0.639 866 HB2 LYS 107 2HB LYS 107 6.843 9.017 0.154 867 HB3 LYS 107 3HB LYS 107 8.140 10.110 -0.322 868 HG2 LYS 107 2HG LYS 107 7.212 9.696 2.541 869 HG3 LYS 107 3HG LYS 107 8.566 8.841 1.795 870 HD2 LYS 107 2HD LYS 107 9.749 10.984 1.454 871 HD3 LYS 107 3HD LYS 107 8.385 11.870 2.147 872 HE2 LYS 107 2HE LYS 107 10.257 11.559 3.764 873 HE3 LYS 107 3HE LYS 107 8.756 10.822 4.316 874 HZ1 LYS 107 3HZ LYS 107 10.719 9.422 4.677 875 HZ2 LYS 107 1HZ LYS 107 10.968 9.338 3.009 876 HZ3 LYS 107 2HZ LYS 107 9.570 8.672 3.691 877 H GLN 108 H GLN 108 4.971 9.506 -1.120 878 HA GLN 108 HA GLN 108 5.799 10.146 -3.711 879 HB2 GLN 108 2HB GLN 108 4.761 7.993 -3.076 880 HB3 GLN 108 3HB GLN 108 3.219 8.804 -2.800 881 HG2 GLN 108 2HG GLN 108 3.130 9.418 -5.203 882 HG3 GLN 108 3HG GLN 108 4.658 8.579 -5.462 883 HE21 GLN 108 1HE2 GLN 108 1.257 8.209 -4.815 884 HE22 GLN 108 2HE2 GLN 108 1.171 6.525 -5.183 885 H LEU 109 H LEU 109 2.834 11.065 -1.988 886 HA LEU 109 HA LEU 109 1.773 12.603 -4.179 887 HB2 LEU 109 2HB LEU 109 0.855 12.314 -1.297 888 HB3 LEU 109 3HB LEU 109 -0.069 13.111 -2.566 889 HG LEU 109 HG LEU 109 0.701 10.156 -2.583 890 HD11 LEU 109 1HD1 LEU 109 -0.880 10.603 -0.788 891 HD12 LEU 109 2HD1 LEU 109 -1.651 9.692 -2.083 892 HD13 LEU 109 3HD1 LEU 109 -1.969 11.420 -1.913 893 HD21 LEU 109 3HD2 LEU 109 -1.152 11.707 -4.433 894 HD22 LEU 109 1HD2 LEU 109 -0.905 9.955 -4.446 895 HD23 LEU 109 2HD2 LEU 109 0.426 11.032 -4.853 896 H ALA 110 H ALA 110 3.889 13.324 -1.483 897 HA ALA 110 HA ALA 110 3.473 16.160 -1.363 898 HB1 ALA 110 3HB ALA 110 5.630 16.264 -0.174 899 HB2 ALA 110 1HB ALA 110 5.967 14.586 -0.618 900 HB3 ALA 110 2HB ALA 110 4.624 14.961 0.463 901 H TYR 111 H TYR 111 5.775 14.078 -3.123 902 HA TYR 111 HA TYR 111 6.913 16.199 -4.692 903 HB2 TYR 111 2HB TYR 111 6.975 13.167 -4.953 904 HB3 TYR 111 3HB TYR 111 7.755 14.224 -6.131 905 HD1 TYR 111 HD1 TYR 111 7.688 13.546 -2.426 906 HD2 TYR 111 HD2 TYR 111 10.004 14.912 -5.743 907 HE1 TYR 111 HE1 TYR 111 9.655 13.668 -0.983 908 HE2 TYR 111 HE2 TYR 111 11.988 15.035 -4.291 909 HH TYR 111 HH TYR 111 12.123 13.607 -1.235 910 H GLY 112 H GLY 112 4.026 14.341 -4.854 911 HA2 GLY 112 2HA GLY 112 2.112 14.827 -6.016 912 HA3 GLY 112 3HA GLY 112 2.985 16.058 -6.921 913 H GLU 113 H GLU 113 3.116 12.513 -6.531 914 HA GLU 113 HA GLU 113 2.768 12.175 -9.441 915 HB2 GLU 113 2HB GLU 113 4.549 10.487 -9.530 916 HB3 GLU 113 3HB GLU 113 5.197 12.035 -8.998 917 HG2 GLU 113 2HG GLU 113 5.195 11.232 -6.665 918 HG3 GLU 113 3HG GLU 113 4.551 9.683 -7.198 919 H ASP 114 H ASP 114 2.026 10.116 -10.031 920 HA ASP 114 HA ASP 114 0.094 8.919 -8.248 921 HB2 ASP 114 2HB ASP 114 -0.643 9.276 -10.495 922 HB3 ASP 114 3HB ASP 114 0.843 8.647 -11.176 923 H VAL 115 H VAL 115 -0.038 6.595 -7.962 924 HA VAL 115 HA VAL 115 2.122 5.372 -6.778 925 HB VAL 115 HB VAL 115 -0.024 4.572 -6.194 926 HG11 VAL 115 1HG1 VAL 115 -0.506 3.862 -9.103 927 HG12 VAL 115 2HG1 VAL 115 -1.266 5.169 -8.199 928 HG13 VAL 115 3HG1 VAL 115 -1.602 3.492 -7.774 929 HG21 VAL 115 3HG2 VAL 115 0.072 2.135 -6.482 930 HG22 VAL 115 1HG2 VAL 115 1.683 2.767 -6.174 931 HG23 VAL 115 2HG2 VAL 115 1.219 2.301 -7.810 932 H ILE 116 H ILE 116 0.922 4.698 -10.118 933 HA ILE 116 HA ILE 116 3.194 3.025 -10.768 934 HB ILE 116 HB ILE 116 0.975 4.182 -12.526 935 HG12 ILE 116 2HG1 ILE 116 0.444 1.709 -12.925 936 HG13 ILE 116 3HG1 ILE 116 1.639 1.313 -11.698 937 HG21 ILE 116 1HG2 ILE 116 3.293 2.461 -13.496 938 HG22 ILE 116 2HG2 ILE 116 2.993 4.146 -13.927 939 HG23 ILE 116 3HG2 ILE 116 1.873 2.890 -14.458 940 HD11 ILE 116 3HD1 ILE 116 -0.633 1.189 -10.872 941 HD12 ILE 116 1HD1 ILE 116 -0.884 2.893 -11.255 942 HD13 ILE 116 2HD1 ILE 116 0.293 2.426 -10.022 943 H SER 117 H SER 117 2.111 6.200 -12.095 944 HA SER 117 HA SER 117 4.842 7.228 -12.095 945 HB2 SER 117 2HB SER 117 3.316 6.895 -14.719 946 HB3 SER 117 3HB SER 117 4.829 7.778 -14.526 947 HG SER 117 HG SER 117 4.661 5.084 -13.742 948 H LYS 118 H LYS 118 2.109 8.333 -14.135 949 HA LYS 118 HA LYS 118 1.579 10.601 -12.318 950 HB2 LYS 118 2HB LYS 118 2.169 10.972 -15.299 951 HB3 LYS 118 3HB LYS 118 1.669 12.233 -14.173 952 HG2 LYS 118 2HG LYS 118 3.816 11.883 -12.913 953 HG3 LYS 118 3HG LYS 118 4.310 10.732 -14.153 954 HD2 LYS 118 2HD LYS 118 5.383 12.715 -14.812 955 HD3 LYS 118 3HD LYS 118 3.954 12.688 -15.841 956 HE2 LYS 118 2HE LYS 118 4.263 14.314 -13.285 957 HE3 LYS 118 3HE LYS 118 4.425 14.946 -14.920 958 HZ1 LYS 118 3HZ LYS 118 1.950 13.855 -13.684 959 HZ2 LYS 118 1HZ LYS 118 2.090 14.352 -15.296 960 HZ3 LYS 118 2HZ LYS 118 2.277 15.472 -14.048 961 H GLU 119 H GLU 119 0.760 8.999 -15.371 962 HA GLU 119 HA GLU 119 -2.055 8.842 -14.767 963 HB2 GLU 119 2HB GLU 119 -1.852 11.205 -15.572 964 HB3 GLU 119 3HB GLU 119 -1.098 10.642 -17.056 965 HG2 GLU 119 2HG GLU 119 -3.414 11.197 -17.503 966 HG3 GLU 119 3HG GLU 119 -3.184 9.456 -17.671 Start of MODEL 14 1 H1 MET 1 1H MET 1 -28.131 31.392 32.208 2 H2 MET 1 2H MET 1 -29.028 32.751 31.762 3 H3 MET 1 3H MET 1 -28.544 32.550 33.368 4 HA MET 1 HA MET 1 -27.220 34.196 32.205 5 HB2 MET 1 2HB MET 1 -25.724 31.649 32.980 6 HB3 MET 1 3HB MET 1 -24.978 33.235 32.808 7 HG2 MET 1 2HG MET 1 -27.068 32.460 34.859 8 HG3 MET 1 3HG MET 1 -25.347 32.706 35.150 9 HE1 MET 1 3HE MET 1 -26.085 34.384 37.165 10 HE2 MET 1 1HE MET 1 -27.801 34.190 36.757 11 HE3 MET 1 2HE MET 1 -27.097 35.800 36.903 12 H GLY 2 H GLY 2 -25.115 34.221 30.816 13 HA2 GLY 2 2HA GLY 2 -24.873 32.386 28.620 14 HA3 GLY 2 3HA GLY 2 -25.647 33.899 28.142 15 H HIS 3 H HIS 3 -23.933 34.575 26.833 16 HA HIS 3 HA HIS 3 -22.103 35.803 26.305 17 HB2 HIS 3 2HB HIS 3 -22.269 36.564 29.247 18 HB3 HIS 3 3HB HIS 3 -21.240 37.391 28.088 19 HD1 HIS 3 HD1 HIS 3 -22.270 39.333 26.925 20 HD2 HIS 3 HD2 HIS 3 -25.143 36.818 28.554 21 HE1 HIS 3 HE1 HIS 3 -24.461 40.518 26.609 22 HE2 HIS 3 HE2 HIS 3 -26.165 39.017 27.693 23 H HIS 4 H HIS 4 -21.658 33.003 27.146 24 HA HIS 4 HA HIS 4 -19.280 32.845 28.719 25 HB2 HIS 4 2HB HIS 4 -19.182 30.479 28.128 26 HB3 HIS 4 3HB HIS 4 -20.828 30.919 28.527 27 HD1 HIS 4 HD1 HIS 4 -18.763 29.429 25.886 28 HD2 HIS 4 HD2 HIS 4 -22.616 30.948 26.229 29 HE1 HIS 4 HE1 HIS 4 -20.015 28.555 23.894 30 HE2 HIS 4 HE2 HIS 4 -22.382 29.311 24.256 31 H HIS 5 H HIS 5 -17.362 33.522 28.108 32 HA HIS 5 HA HIS 5 -16.663 33.901 25.277 33 HB2 HIS 5 2HB HIS 5 -15.275 34.853 27.834 34 HB3 HIS 5 3HB HIS 5 -14.801 35.280 26.191 35 HD1 HIS 5 HD1 HIS 5 -17.041 36.381 24.811 36 HD2 HIS 5 HD2 HIS 5 -16.773 36.854 28.930 37 HE1 HIS 5 HE1 HIS 5 -18.530 38.313 25.366 38 HE2 HIS 5 HE2 HIS 5 -18.167 38.719 27.817 39 H HIS 6 H HIS 6 -15.008 32.824 24.319 40 HA HIS 6 HA HIS 6 -13.285 31.005 25.847 41 HB2 HIS 6 2HB HIS 6 -15.366 29.720 25.111 42 HB3 HIS 6 3HB HIS 6 -14.893 30.018 23.444 43 HD1 HIS 6 HD1 HIS 6 -13.273 28.359 22.441 44 HD2 HIS 6 HD2 HIS 6 -13.430 28.119 26.584 45 HE1 HIS 6 HE1 HIS 6 -11.929 26.333 23.055 46 HE2 HIS 6 HE2 HIS 6 -12.098 26.175 25.554 47 H HIS 7 H HIS 7 -11.286 31.385 25.192 48 HA HIS 7 HA HIS 7 -10.508 32.812 22.879 49 HB2 HIS 7 2HB HIS 7 -8.879 30.973 24.698 50 HB3 HIS 7 3HB HIS 7 -8.179 32.025 23.466 51 HD1 HIS 7 HD1 HIS 7 -9.613 32.033 26.895 52 HD2 HIS 7 HD2 HIS 7 -8.246 34.791 24.106 53 HE1 HIS 7 HE1 HIS 7 -9.392 34.198 28.140 54 HE2 HIS 7 HE2 HIS 7 -8.371 35.789 26.480 55 H HIS 8 H HIS 8 -10.166 32.146 20.838 56 HA HIS 8 HA HIS 8 -10.791 29.465 19.995 57 HB2 HIS 8 2HB HIS 8 -9.619 31.769 18.361 58 HB3 HIS 8 3HB HIS 8 -10.304 30.283 17.704 59 HD1 HIS 8 HD1 HIS 8 -11.203 33.610 17.921 60 HD2 HIS 8 HD2 HIS 8 -13.200 30.118 18.949 61 HE1 HIS 8 HE1 HIS 8 -13.640 34.212 17.960 62 HE2 HIS 8 HE2 HIS 8 -14.821 32.104 18.655 63 H SER 9 H SER 9 -9.334 28.124 20.970 64 HA SER 9 HA SER 9 -6.572 28.453 21.264 65 HB2 SER 9 2HB SER 9 -7.858 26.840 22.611 66 HB3 SER 9 3HB SER 9 -8.196 25.868 21.178 67 HG SER 9 HG SER 9 -6.232 25.065 21.243 68 H HIS 10 H HIS 10 -5.408 28.961 19.475 69 HA HIS 10 HA HIS 10 -5.581 27.319 17.038 70 HB2 HIS 10 2HB HIS 10 -4.260 30.019 17.560 71 HB3 HIS 10 3HB HIS 10 -4.159 29.157 16.028 72 HD1 HIS 10 HD1 HIS 10 -5.612 32.006 16.848 73 HD2 HIS 10 HD2 HIS 10 -7.367 28.415 15.707 74 HE1 HIS 10 HE1 HIS 10 -7.854 32.620 15.900 75 HE2 HIS 10 HE2 HIS 10 -8.806 30.451 15.051 76 H MET 11 H MET 11 -3.706 26.530 16.054 77 HA MET 11 HA MET 11 -1.180 26.491 17.587 78 HB2 MET 11 2HB MET 11 -0.819 24.129 17.022 79 HB3 MET 11 3HB MET 11 -2.303 24.300 17.945 80 HG2 MET 11 2HG MET 11 -3.645 23.994 15.933 81 HG3 MET 11 3HG MET 11 -2.195 23.995 14.930 82 HE1 MET 11 3HE MET 11 -4.132 22.022 17.787 83 HE2 MET 11 1HE MET 11 -2.508 22.211 18.454 84 HE3 MET 11 2HE MET 11 -3.082 20.617 17.970 85 H ASN 12 H ASN 12 0.586 25.584 16.035 86 HA ASN 12 HA ASN 12 0.741 27.284 13.747 87 HB2 ASN 12 2HB ASN 12 2.543 24.989 14.644 88 HB3 ASN 12 3HB ASN 12 2.928 26.110 13.341 89 HD21 ASN 12 1HD2 ASN 12 4.341 25.591 15.870 90 HD22 ASN 12 2HD2 ASN 12 4.467 27.121 16.663 91 H SER 13 H SER 13 -0.344 26.900 11.907 92 HA SER 13 HA SER 13 -1.305 24.332 11.056 93 HB2 SER 13 2HB SER 13 -1.128 26.928 9.451 94 HB3 SER 13 3HB SER 13 -2.124 25.521 9.061 95 HG SER 13 HG SER 13 -3.023 27.454 10.286 96 H GLN 14 H GLN 14 0.412 22.929 10.761 97 HA GLN 14 HA GLN 14 2.788 23.741 9.251 98 HB2 GLN 14 2HB GLN 14 2.196 21.192 10.815 99 HB3 GLN 14 3HB GLN 14 3.743 21.598 10.071 100 HG2 GLN 14 2HG GLN 14 2.398 23.088 12.358 101 HG3 GLN 14 3HG GLN 14 3.809 22.037 12.474 102 HE21 GLN 14 1HE2 GLN 14 5.804 22.783 11.639 103 HE22 GLN 14 2HE2 GLN 14 6.094 24.458 11.337 104 H ARG 15 H ARG 15 3.620 22.517 7.517 105 HA ARG 15 HA ARG 15 1.548 21.464 5.745 106 HB2 ARG 15 2HB ARG 15 3.084 23.205 4.880 107 HB3 ARG 15 3HB ARG 15 4.464 22.158 5.186 108 HG2 ARG 15 2HG ARG 15 3.866 22.162 2.798 109 HG3 ARG 15 3HG ARG 15 3.667 20.557 3.503 110 HD2 ARG 15 2HD ARG 15 1.814 21.125 1.975 111 HD3 ARG 15 3HD ARG 15 1.233 20.882 3.627 112 HE ARG 15 HE ARG 15 1.826 23.638 2.965 113 HH11 ARG 15 1HH1 ARG 15 -0.697 21.187 2.819 114 HH12 ARG 15 2HH1 ARG 15 -1.976 22.351 2.761 115 HH21 ARG 15 1HH2 ARG 15 0.133 25.133 2.935 116 HH22 ARG 15 2HH2 ARG 15 -1.510 24.587 2.827 117 H LEU 16 H LEU 16 1.146 19.456 6.533 118 HA LEU 16 HA LEU 16 2.936 17.426 5.460 119 HB2 LEU 16 2HB LEU 16 2.804 15.901 7.342 120 HB3 LEU 16 3HB LEU 16 3.525 17.400 7.882 121 HG LEU 16 HG LEU 16 0.632 16.612 8.446 122 HD11 LEU 16 1HD1 LEU 16 1.349 16.086 10.737 123 HD12 LEU 16 2HD1 LEU 16 3.033 16.352 10.277 124 HD13 LEU 16 3HD1 LEU 16 2.115 15.030 9.553 125 HD21 LEU 16 3HD2 LEU 16 0.669 18.393 10.144 126 HD22 LEU 16 1HD2 LEU 16 0.985 19.043 8.536 127 HD23 LEU 16 2HD2 LEU 16 2.316 18.824 9.673 128 H ILE 17 H ILE 17 1.769 16.022 4.288 129 HA ILE 17 HA ILE 17 -0.977 16.532 3.773 130 HB ILE 17 HB ILE 17 0.930 14.363 2.810 131 HG12 ILE 17 2HG1 ILE 17 -0.329 16.765 1.405 132 HG13 ILE 17 3HG1 ILE 17 1.309 16.700 2.039 133 HG21 ILE 17 1HG2 ILE 17 -1.293 13.332 2.760 134 HG22 ILE 17 2HG2 ILE 17 -0.762 13.691 1.117 135 HG23 ILE 17 3HG2 ILE 17 -1.952 14.730 1.905 136 HD11 ILE 17 3HD1 ILE 17 0.208 15.083 -0.249 137 HD12 ILE 17 1HD1 ILE 17 1.836 14.927 0.417 138 HD13 ILE 17 2HD1 ILE 17 1.332 16.439 -0.334 139 H HIS 18 H HIS 18 -2.696 15.818 4.809 140 HA HIS 18 HA HIS 18 -2.726 13.850 6.839 141 HB2 HIS 18 2HB HIS 18 -5.043 14.998 5.227 142 HB3 HIS 18 3HB HIS 18 -5.244 13.928 6.606 143 HD1 HIS 18 HD1 HIS 18 -5.039 14.940 8.928 144 HD2 HIS 18 HD2 HIS 18 -4.253 17.652 5.875 145 HE1 HIS 18 HE1 HIS 18 -5.072 17.205 10.010 146 HE2 HIS 18 HE2 HIS 18 -4.519 18.819 8.159 147 H ILE 19 H ILE 19 -2.631 11.733 6.642 148 HA ILE 19 HA ILE 19 -3.914 10.333 4.379 149 HB ILE 19 HB ILE 19 -1.275 9.508 5.708 150 HG12 ILE 19 2HG1 ILE 19 -0.941 11.289 4.001 151 HG13 ILE 19 3HG1 ILE 19 -0.241 9.767 3.465 152 HG21 ILE 19 1HG2 ILE 19 -1.287 7.556 4.173 153 HG22 ILE 19 2HG2 ILE 19 -2.884 8.031 3.585 154 HG23 ILE 19 3HG2 ILE 19 -2.674 7.534 5.266 155 HD11 ILE 19 3HD1 ILE 19 -1.332 10.896 1.644 156 HD12 ILE 19 1HD1 ILE 19 -2.849 10.967 2.538 157 HD13 ILE 19 2HD1 ILE 19 -2.203 9.408 2.012 158 H LYS 20 H LYS 20 -5.520 9.173 5.197 159 HA LYS 20 HA LYS 20 -5.666 8.635 8.104 160 HB2 LYS 20 2HB LYS 20 -7.455 10.087 7.248 161 HB3 LYS 20 3HB LYS 20 -7.822 8.942 5.965 162 HG2 LYS 20 2HG LYS 20 -8.638 7.319 7.625 163 HG3 LYS 20 3HG LYS 20 -8.210 8.424 8.931 164 HD2 LYS 20 2HD LYS 20 -10.638 8.479 8.427 165 HD3 LYS 20 3HD LYS 20 -9.873 10.049 8.161 166 HE2 LYS 20 2HE LYS 20 -9.803 9.559 5.711 167 HE3 LYS 20 3HE LYS 20 -10.619 8.026 6.014 168 HZ1 LYS 20 3HZ LYS 20 -12.162 9.716 5.291 169 HZ2 LYS 20 1HZ LYS 20 -11.729 10.718 6.581 170 HZ3 LYS 20 2HZ LYS 20 -12.511 9.254 6.878 171 H THR 21 H THR 21 -6.307 6.482 8.732 172 HA THR 21 HA THR 21 -6.281 4.442 6.574 173 HB THR 21 HB THR 21 -5.248 4.005 9.417 174 HG1 THR 21 HG1 THR 21 -3.942 4.843 7.051 175 HG21 THR 21 3HG2 THR 21 -4.247 1.964 8.435 176 HG22 THR 21 1HG2 THR 21 -4.965 2.355 6.874 177 HG23 THR 21 2HG2 THR 21 -6.005 1.957 8.246 178 H LEU 22 H LEU 22 -8.308 3.764 6.356 179 HA LEU 22 HA LEU 22 -10.209 3.642 8.551 180 HB2 LEU 22 2HB LEU 22 -10.461 2.864 5.612 181 HB3 LEU 22 3HB LEU 22 -11.793 2.886 6.764 182 HG LEU 22 HG LEU 22 -10.199 5.344 5.910 183 HD11 LEU 22 1HD1 LEU 22 -12.983 4.510 5.056 184 HD12 LEU 22 2HD1 LEU 22 -11.533 4.503 4.048 185 HD13 LEU 22 3HD1 LEU 22 -12.170 6.030 4.653 186 HD21 LEU 22 3HD2 LEU 22 -11.957 6.628 7.058 187 HD22 LEU 22 1HD2 LEU 22 -11.091 5.574 8.170 188 HD23 LEU 22 2HD2 LEU 22 -12.705 5.125 7.612 189 H THR 23 H THR 23 -10.872 1.806 9.550 190 HA THR 23 HA THR 23 -9.511 -0.714 9.172 191 HB THR 23 HB THR 23 -11.198 -1.493 10.977 192 HG1 THR 23 HG1 THR 23 -12.817 -0.156 11.233 193 HG21 THR 23 3HG2 THR 23 -10.071 -0.289 12.810 194 HG22 THR 23 1HG2 THR 23 -9.425 0.883 11.658 195 HG23 THR 23 2HG2 THR 23 -8.908 -0.804 11.588 196 H THR 24 H THR 24 -10.484 -2.644 8.444 197 HA THR 24 HA THR 24 -12.902 -2.365 6.746 198 HB THR 24 HB THR 24 -11.625 -4.056 5.221 199 HG1 THR 24 HG1 THR 24 -9.684 -4.593 5.837 200 HG21 THR 24 3HG2 THR 24 -11.928 -1.706 4.523 201 HG22 THR 24 1HG2 THR 24 -10.335 -2.301 4.052 202 HG23 THR 24 2HG2 THR 24 -10.499 -1.234 5.448 203 HA PRO 25 HA PRO 25 -14.092 -6.346 8.661 204 HB2 PRO 25 2HB PRO 25 -15.426 -7.192 6.144 205 HB3 PRO 25 3HB PRO 25 -16.167 -6.735 7.689 206 HG2 PRO 25 2HG PRO 25 -16.412 -5.186 5.492 207 HG3 PRO 25 3HG PRO 25 -16.298 -4.493 7.128 208 HD2 PRO 25 2HD PRO 25 -14.102 -4.792 5.065 209 HD3 PRO 25 3HD PRO 25 -14.538 -3.367 6.042 210 H ASN 26 H ASN 26 -11.436 -6.346 7.664 211 HA ASN 26 HA ASN 26 -11.008 -9.112 6.944 212 HB2 ASN 26 2HB ASN 26 -11.391 -7.874 4.720 213 HB3 ASN 26 3HB ASN 26 -9.934 -6.947 5.056 214 HD21 ASN 26 1HD2 ASN 26 -10.490 -8.714 2.822 215 HD22 ASN 26 2HD2 ASN 26 -9.283 -9.951 2.842 216 H GLU 27 H GLU 27 -9.055 -9.792 7.707 217 HA GLU 27 HA GLU 27 -7.492 -8.020 9.386 218 HB2 GLU 27 2HB GLU 27 -6.231 -10.120 9.964 219 HB3 GLU 27 3HB GLU 27 -7.963 -10.218 10.267 220 HG2 GLU 27 2HG GLU 27 -8.307 -11.571 8.286 221 HG3 GLU 27 3HG GLU 27 -6.635 -11.345 7.778 222 H ASN 28 H ASN 28 -7.013 -9.900 6.407 223 HA ASN 28 HA ASN 28 -4.237 -9.360 6.044 224 HB2 ASN 28 2HB ASN 28 -6.389 -10.242 4.057 225 HB3 ASN 28 3HB ASN 28 -4.670 -10.168 3.672 226 HD21 ASN 28 1HD2 ASN 28 -3.265 -11.745 4.568 227 HD22 ASN 28 2HD2 ASN 28 -3.875 -13.192 5.291 228 H ALA 29 H ALA 29 -7.202 -7.903 4.747 229 HA ALA 29 HA ALA 29 -5.732 -5.853 3.269 230 HB1 ALA 29 3HB ALA 29 -7.961 -5.211 2.416 231 HB2 ALA 29 1HB ALA 29 -8.713 -6.391 3.490 232 HB3 ALA 29 2HB ALA 29 -7.651 -6.932 2.190 233 H LEU 30 H LEU 30 -5.376 -3.818 4.031 234 HA LEU 30 HA LEU 30 -7.227 -2.629 6.013 235 HB2 LEU 30 2HB LEU 30 -5.127 -3.343 7.182 236 HB3 LEU 30 3HB LEU 30 -4.193 -2.337 6.091 237 HG LEU 30 HG LEU 30 -5.345 -0.304 7.029 238 HD11 LEU 30 1HD1 LEU 30 -6.639 -0.463 9.105 239 HD12 LEU 30 2HD1 LEU 30 -6.575 -2.227 9.024 240 HD13 LEU 30 3HD1 LEU 30 -7.436 -1.312 7.781 241 HD21 LEU 30 3HD2 LEU 30 -3.934 -2.015 9.103 242 HD22 LEU 30 1HD2 LEU 30 -4.142 -0.260 9.165 243 HD23 LEU 30 2HD2 LEU 30 -3.158 -0.984 7.897 244 H LYS 31 H LYS 31 -7.882 -0.634 5.430 245 HA LYS 31 HA LYS 31 -7.097 0.293 2.768 246 HB2 LYS 31 2HB LYS 31 -9.449 -0.185 3.204 247 HB3 LYS 31 3HB LYS 31 -9.465 0.946 4.554 248 HG2 LYS 31 2HG LYS 31 -9.125 2.824 3.003 249 HG3 LYS 31 3HG LYS 31 -9.052 1.698 1.637 250 HD2 LYS 31 2HD LYS 31 -11.371 0.984 2.085 251 HD3 LYS 31 3HD LYS 31 -11.446 2.052 3.490 252 HE2 LYS 31 2HE LYS 31 -11.240 4.009 2.040 253 HE3 LYS 31 3HE LYS 31 -11.072 2.967 0.621 254 HZ1 LYS 31 3HZ LYS 31 -13.454 3.010 2.391 255 HZ2 LYS 31 1HZ LYS 31 -13.286 2.164 0.942 256 HZ3 LYS 31 2HZ LYS 31 -13.338 3.851 0.934 257 H PHE 32 H PHE 32 -5.633 1.870 2.627 258 HA PHE 32 HA PHE 32 -5.490 4.065 4.598 259 HB2 PHE 32 2HB PHE 32 -3.551 3.214 2.385 260 HB3 PHE 32 3HB PHE 32 -3.319 4.618 3.421 261 HD1 PHE 32 HD2 PHE 32 -3.793 0.888 3.620 262 HD2 PHE 32 HD1 PHE 32 -2.068 4.374 5.413 263 HE1 PHE 32 HE2 PHE 32 -2.625 -0.526 5.252 264 HE2 PHE 32 HE1 PHE 32 -0.902 2.942 7.035 265 HZ PHE 32 HZ PHE 32 -1.180 0.499 6.959 266 H LEU 33 H LEU 33 -6.613 5.851 4.038 267 HA LEU 33 HA LEU 33 -7.349 6.352 1.222 268 HB2 LEU 33 2HB LEU 33 -9.232 6.050 2.795 269 HB3 LEU 33 3HB LEU 33 -8.619 7.348 3.806 270 HG LEU 33 HG LEU 33 -9.045 8.986 1.948 271 HD11 LEU 33 1HD1 LEU 33 -8.802 7.500 0.037 272 HD12 LEU 33 2HD1 LEU 33 -10.355 8.327 -0.014 273 HD13 LEU 33 3HD1 LEU 33 -10.275 6.635 0.486 274 HD21 LEU 33 3HD2 LEU 33 -10.757 8.698 3.652 275 HD22 LEU 33 1HD2 LEU 33 -11.478 7.362 2.750 276 HD23 LEU 33 2HD2 LEU 33 -11.504 8.999 2.085 277 H SER 34 H SER 34 -6.441 8.025 0.215 278 HA SER 34 HA SER 34 -4.778 9.982 1.585 279 HB2 SER 34 2HB SER 34 -3.997 9.088 -0.567 280 HB3 SER 34 3HB SER 34 -5.476 9.624 -1.370 281 HG SER 34 HG SER 34 -4.315 11.340 -1.737 282 H THR 35 H THR 35 -5.658 11.817 2.410 283 HA THR 35 HA THR 35 -8.380 12.606 1.544 284 HB THR 35 HB THR 35 -8.617 13.599 3.828 285 HG1 THR 35 HG1 THR 35 -6.612 14.027 4.545 286 HG21 THR 35 3HG2 THR 35 -9.384 11.276 3.468 287 HG22 THR 35 1HG2 THR 35 -8.733 11.467 5.099 288 HG23 THR 35 2HG2 THR 35 -7.771 10.671 3.849 289 H ASP 36 H ASP 36 -5.188 13.973 2.423 290 HA ASP 36 HA ASP 36 -6.100 16.686 1.640 291 HB2 ASP 36 2HB ASP 36 -5.132 16.467 3.887 292 HB3 ASP 36 3HB ASP 36 -3.659 15.782 3.214 293 H GLY 37 H GLY 37 -3.951 14.138 0.579 294 HA2 GLY 37 2HA GLY 37 -2.196 15.876 -0.951 295 HA3 GLY 37 3HA GLY 37 -2.156 14.118 -0.888 296 H GLU 38 H GLU 38 -2.124 13.671 -3.018 297 HA GLU 38 HA GLU 38 -4.172 14.780 -4.837 298 HB2 GLU 38 2HB GLU 38 -1.670 13.150 -5.456 299 HB3 GLU 38 3HB GLU 38 -2.761 13.851 -6.652 300 HG2 GLU 38 2HG GLU 38 -2.150 16.109 -5.898 301 HG3 GLU 38 3HG GLU 38 -1.077 15.425 -4.674 302 H MET 39 H MET 39 -4.459 12.867 -6.651 303 HA MET 39 HA MET 39 -5.670 10.580 -5.230 304 HB2 MET 39 2HB MET 39 -7.088 12.229 -6.632 305 HB3 MET 39 3HB MET 39 -6.311 11.544 -8.051 306 HG2 MET 39 2HG MET 39 -7.287 9.389 -7.621 307 HG3 MET 39 3HG MET 39 -7.881 9.921 -6.039 308 HE1 MET 39 3HE MET 39 -9.991 8.539 -7.647 309 HE2 MET 39 1HE MET 39 -11.313 9.705 -7.646 310 HE3 MET 39 2HE MET 39 -10.345 9.463 -6.192 311 H LEU 40 H LEU 40 -5.226 8.489 -5.978 312 HA LEU 40 HA LEU 40 -2.556 8.107 -6.979 313 HB2 LEU 40 2HB LEU 40 -4.715 6.078 -6.274 314 HB3 LEU 40 3HB LEU 40 -3.033 5.684 -6.607 315 HG LEU 40 HG LEU 40 -3.981 7.399 -4.275 316 HD11 LEU 40 1HD1 LEU 40 -3.075 4.510 -4.290 317 HD12 LEU 40 2HD1 LEU 40 -4.716 5.101 -4.003 318 HD13 LEU 40 3HD1 LEU 40 -3.434 5.478 -2.855 319 HD21 LEU 40 3HD2 LEU 40 -1.669 7.173 -3.436 320 HD22 LEU 40 1HD2 LEU 40 -1.714 8.006 -4.987 321 HD23 LEU 40 2HD2 LEU 40 -1.209 6.316 -4.909 322 H GLN 41 H GLN 41 -5.770 7.056 -8.122 323 HA GLN 41 HA GLN 41 -4.750 6.694 -10.891 324 HB2 GLN 41 2HB GLN 41 -4.804 4.506 -9.711 325 HB3 GLN 41 3HB GLN 41 -6.481 4.757 -9.268 326 HG2 GLN 41 2HG GLN 41 -6.309 3.134 -11.077 327 HG3 GLN 41 3HG GLN 41 -7.142 4.582 -11.638 328 HE21 GLN 41 1HE2 GLN 41 -4.189 2.722 -11.829 329 HE22 GLN 41 2HE2 GLN 41 -3.586 3.466 -13.264 330 H THR 42 H THR 42 -6.700 6.495 -12.436 331 HA THR 42 HA THR 42 -8.386 8.696 -12.386 332 HB THR 42 HB THR 42 -8.844 6.086 -13.908 333 HG1 THR 42 HG1 THR 42 -6.931 8.090 -14.142 334 HG21 THR 42 3HG2 THR 42 -9.892 7.534 -15.622 335 HG22 THR 42 1HG2 THR 42 -9.655 8.950 -14.600 336 HG23 THR 42 2HG2 THR 42 -10.756 7.663 -14.089 337 H ARG 43 H ARG 43 -10.462 9.054 -11.709 338 HA ARG 43 HA ARG 43 -11.365 7.749 -9.416 339 HB2 ARG 43 2HB ARG 43 -11.766 10.143 -10.051 340 HB3 ARG 43 3HB ARG 43 -12.979 9.608 -11.210 341 HG2 ARG 43 2HG ARG 43 -14.378 8.732 -9.398 342 HG3 ARG 43 3HG ARG 43 -13.128 9.109 -8.209 343 HD2 ARG 43 2HD ARG 43 -13.368 11.552 -8.902 344 HD3 ARG 43 3HD ARG 43 -14.794 11.064 -9.827 345 HE ARG 43 HE ARG 43 -15.186 10.082 -7.270 346 HH11 ARG 43 1HH1 ARG 43 -14.745 13.274 -8.690 347 HH12 ARG 43 2HH1 ARG 43 -15.672 14.080 -7.469 348 HH21 ARG 43 1HH2 ARG 43 -16.346 11.165 -5.649 349 HH22 ARG 43 2HH2 ARG 43 -16.577 12.877 -5.745 350 H GLY 44 H GLY 44 -12.530 5.951 -9.114 351 HA2 GLY 44 2HA GLY 44 -14.099 4.311 -9.311 352 HA3 GLY 44 3HA GLY 44 -14.948 5.348 -10.440 353 H SER 45 H SER 45 -11.665 4.192 -10.941 354 HA SER 45 HA SER 45 -12.452 2.666 -13.319 355 HB2 SER 45 2HB SER 45 -10.460 4.223 -13.344 356 HB3 SER 45 3HB SER 45 -9.660 3.159 -12.191 357 HG SER 45 HG SER 45 -10.308 2.707 -14.889 358 H LYS 46 H LYS 46 -10.938 0.507 -13.475 359 HA LYS 46 HA LYS 46 -11.794 -1.257 -11.356 360 HB2 LYS 46 2HB LYS 46 -11.811 -2.100 -13.651 361 HB3 LYS 46 3HB LYS 46 -10.099 -1.750 -13.840 362 HG2 LYS 46 2HG LYS 46 -10.541 -4.169 -13.523 363 HG3 LYS 46 3HG LYS 46 -9.504 -3.501 -12.257 364 HD2 LYS 46 2HD LYS 46 -11.648 -3.271 -10.836 365 HD3 LYS 46 3HD LYS 46 -12.446 -4.274 -12.052 366 HE2 LYS 46 2HE LYS 46 -10.972 -6.124 -11.558 367 HE3 LYS 46 3HE LYS 46 -9.956 -5.109 -10.530 368 HZ1 LYS 46 3HZ LYS 46 -12.767 -5.886 -9.993 369 HZ2 LYS 46 1HZ LYS 46 -11.852 -4.842 -9.031 370 HZ3 LYS 46 2HZ LYS 46 -11.397 -6.460 -9.195 371 H SER 47 H SER 47 -10.651 -1.833 -9.595 372 HA SER 47 HA SER 47 -8.265 -0.541 -8.807 373 HB2 SER 47 2HB SER 47 -8.412 -2.096 -6.817 374 HB3 SER 47 3HB SER 47 -9.913 -1.240 -7.156 375 HG SER 47 HG SER 47 -9.284 -3.915 -7.852 376 H ILE 48 H ILE 48 -6.234 -1.002 -9.332 377 HA ILE 48 HA ILE 48 -5.474 -3.379 -10.810 378 HB ILE 48 HB ILE 48 -3.715 -1.050 -9.859 379 HG12 ILE 48 2HG1 ILE 48 -3.763 -0.469 -12.425 380 HG13 ILE 48 3HG1 ILE 48 -5.202 -1.479 -12.485 381 HG21 ILE 48 1HG2 ILE 48 -3.075 -3.248 -11.864 382 HG22 ILE 48 2HG2 ILE 48 -2.370 -3.064 -10.257 383 HG23 ILE 48 3HG2 ILE 48 -2.040 -1.862 -11.503 384 HD11 ILE 48 3HD1 ILE 48 -5.751 0.877 -12.322 385 HD12 ILE 48 1HD1 ILE 48 -4.846 1.010 -10.814 386 HD13 ILE 48 2HD1 ILE 48 -6.302 0.013 -10.888 387 H VAL 49 H VAL 49 -5.082 -5.233 -9.645 388 HA VAL 49 HA VAL 49 -4.002 -5.077 -6.909 389 HB VAL 49 HB VAL 49 -5.045 -7.500 -8.454 390 HG11 VAL 49 1HG1 VAL 49 -4.221 -7.316 -5.523 391 HG12 VAL 49 2HG1 VAL 49 -3.362 -8.201 -6.783 392 HG13 VAL 49 3HG1 VAL 49 -4.973 -8.721 -6.290 393 HG21 VAL 49 3HG2 VAL 49 -6.837 -5.892 -7.898 394 HG22 VAL 49 1HG2 VAL 49 -6.346 -5.915 -6.200 395 HG23 VAL 49 2HG2 VAL 49 -7.008 -7.372 -6.951 396 H ILE 50 H ILE 50 -1.862 -5.065 -6.722 397 HA ILE 50 HA ILE 50 -0.131 -6.432 -8.714 398 HB ILE 50 HB ILE 50 0.519 -4.115 -6.817 399 HG12 ILE 50 2HG1 ILE 50 0.218 -4.116 -9.861 400 HG13 ILE 50 3HG1 ILE 50 -0.939 -3.439 -8.718 401 HG21 ILE 50 1HG2 ILE 50 2.304 -5.442 -8.897 402 HG22 ILE 50 2HG2 ILE 50 2.496 -5.533 -7.145 403 HG23 ILE 50 3HG2 ILE 50 2.714 -3.992 -7.973 404 HD11 ILE 50 3HD1 ILE 50 0.363 -1.693 -9.744 405 HD12 ILE 50 1HD1 ILE 50 1.871 -2.439 -9.214 406 HD13 ILE 50 2HD1 ILE 50 0.740 -1.780 -8.026 407 H LYS 51 H LYS 51 0.465 -8.394 -7.911 408 HA LYS 51 HA LYS 51 0.684 -8.857 -5.018 409 HB2 LYS 51 2HB LYS 51 0.954 -10.771 -7.373 410 HB3 LYS 51 3HB LYS 51 1.078 -11.254 -5.683 411 HG2 LYS 51 2HG LYS 51 -1.273 -10.602 -5.318 412 HG3 LYS 51 3HG LYS 51 -1.404 -10.083 -7.004 413 HD2 LYS 51 2HD LYS 51 -1.035 -12.380 -7.779 414 HD3 LYS 51 3HD LYS 51 -0.748 -12.935 -6.125 415 HE2 LYS 51 2HE LYS 51 -3.018 -13.529 -6.891 416 HE3 LYS 51 3HE LYS 51 -3.080 -12.408 -5.535 417 HZ1 LYS 51 3HZ LYS 51 -3.423 -11.665 -8.392 418 HZ2 LYS 51 1HZ LYS 51 -3.514 -10.605 -7.080 419 HZ3 LYS 51 2HZ LYS 51 -4.666 -11.823 -7.260 420 H ASN 52 H ASN 52 2.600 -10.175 -4.285 421 HA ASN 52 HA ASN 52 5.123 -9.074 -4.904 422 HB2 ASN 52 2HB ASN 52 6.041 -10.875 -3.476 423 HB3 ASN 52 3HB ASN 52 4.644 -10.112 -2.731 424 HD21 ASN 52 1HD2 ASN 52 5.722 -12.677 -2.079 425 HD22 ASN 52 2HD2 ASN 52 4.489 -13.850 -2.385 426 H THR 53 H THR 53 3.300 -11.649 -6.379 427 HA THR 53 HA THR 53 5.476 -12.833 -7.864 428 HB THR 53 HB THR 53 3.580 -14.015 -9.079 429 HG1 THR 53 HG1 THR 53 1.776 -12.864 -8.951 430 HG21 THR 53 3HG2 THR 53 4.595 -15.032 -7.062 431 HG22 THR 53 1HG2 THR 53 2.869 -15.391 -7.158 432 HG23 THR 53 2HG2 THR 53 3.451 -14.154 -6.042 433 H ASP 54 H ASP 54 3.217 -10.203 -8.283 434 HA ASP 54 HA ASP 54 3.714 -9.825 -11.133 435 HB2 ASP 54 2HB ASP 54 2.172 -8.185 -9.070 436 HB3 ASP 54 3HB ASP 54 2.369 -7.672 -10.741 437 H GLU 55 H GLU 55 6.144 -9.886 -10.129 438 HA GLU 55 HA GLU 55 7.341 -7.642 -9.019 439 HB2 GLU 55 2HB GLU 55 8.454 -9.837 -9.250 440 HB3 GLU 55 3HB GLU 55 8.525 -9.637 -10.995 441 HG2 GLU 55 2HG GLU 55 10.712 -9.190 -10.040 442 HG3 GLU 55 3HG GLU 55 10.052 -7.699 -10.712 443 H ASN 56 H ASN 56 6.534 -8.312 -12.391 444 HA ASN 56 HA ASN 56 7.809 -6.200 -13.705 445 HB2 ASN 56 2HB ASN 56 6.845 -8.027 -14.966 446 HB3 ASN 56 3HB ASN 56 5.243 -7.721 -14.311 447 HD21 ASN 56 1HD2 ASN 56 3.972 -6.117 -15.215 448 HD22 ASN 56 2HD2 ASN 56 4.377 -5.304 -16.685 449 H LEU 57 H LEU 57 4.682 -6.337 -12.056 450 HA LEU 57 HA LEU 57 3.908 -3.636 -12.767 451 HB2 LEU 57 2HB LEU 57 2.629 -5.599 -10.832 452 HB3 LEU 57 3HB LEU 57 1.926 -4.067 -11.332 453 HG LEU 57 HG LEU 57 2.399 -6.508 -13.093 454 HD11 LEU 57 1HD1 LEU 57 -0.180 -5.209 -12.174 455 HD12 LEU 57 2HD1 LEU 57 0.480 -6.749 -11.615 456 HD13 LEU 57 3HD1 LEU 57 -0.042 -6.575 -13.287 457 HD21 LEU 57 3HD2 LEU 57 1.302 -3.791 -13.903 458 HD22 LEU 57 1HD2 LEU 57 1.304 -5.244 -14.910 459 HD23 LEU 57 2HD2 LEU 57 2.828 -4.512 -14.425 460 H ILE 58 H ILE 58 5.438 -5.243 -10.006 461 HA ILE 58 HA ILE 58 5.259 -3.161 -8.086 462 HB ILE 58 HB ILE 58 7.468 -5.251 -8.398 463 HG12 ILE 58 2HG1 ILE 58 5.003 -5.286 -6.589 464 HG13 ILE 58 3HG1 ILE 58 5.189 -6.226 -8.062 465 HG21 ILE 58 1HG2 ILE 58 8.015 -4.805 -6.017 466 HG22 ILE 58 2HG2 ILE 58 6.823 -3.503 -5.986 467 HG23 ILE 58 3HG2 ILE 58 8.253 -3.368 -7.015 468 HD11 ILE 58 3HD1 ILE 58 5.551 -7.590 -6.103 469 HD12 ILE 58 1HD1 ILE 58 6.846 -6.527 -5.557 470 HD13 ILE 58 2HD1 ILE 58 7.038 -7.468 -7.040 471 H ASN 59 H ASN 59 7.864 -3.971 -10.423 472 HA ASN 59 HA ASN 59 9.516 -1.731 -9.992 473 HB2 ASN 59 2HB ASN 59 9.178 -3.575 -12.385 474 HB3 ASN 59 3HB ASN 59 10.291 -2.206 -12.443 475 HD21 ASN 59 1HD2 ASN 59 9.759 -5.383 -11.181 476 HD22 ASN 59 2HD2 ASN 59 11.304 -5.575 -10.447 477 H HIS 60 H HIS 60 6.585 -2.141 -11.893 478 HA HIS 60 HA HIS 60 6.896 0.290 -13.399 479 HB2 HIS 60 2HB HIS 60 5.577 -1.886 -14.064 480 HB3 HIS 60 3HB HIS 60 4.263 -1.193 -13.126 481 HD1 HIS 60 HD1 HIS 60 6.065 -0.904 -16.341 482 HD2 HIS 60 HD2 HIS 60 3.170 1.223 -14.270 483 HE1 HIS 60 HE1 HIS 60 5.101 0.706 -17.998 484 HE2 HIS 60 HE2 HIS 60 3.583 2.159 -16.630 485 H SER 61 H SER 61 5.795 -0.383 -10.214 486 HA SER 61 HA SER 61 4.474 2.280 -10.064 487 HB2 SER 61 2HB SER 61 2.983 1.312 -8.279 488 HB3 SER 61 3HB SER 61 2.725 0.597 -9.870 489 HG SER 61 HG SER 61 4.392 -0.997 -8.959 490 H LYS 62 H LYS 62 5.678 3.623 -8.960 491 HA LYS 62 HA LYS 62 7.996 3.151 -7.542 492 HB2 LYS 62 2HB LYS 62 7.125 5.342 -8.543 493 HB3 LYS 62 3HB LYS 62 6.118 5.521 -7.117 494 HG2 LYS 62 2HG LYS 62 8.020 6.896 -6.746 495 HG3 LYS 62 3HG LYS 62 8.258 5.476 -5.724 496 HD2 LYS 62 2HD LYS 62 10.366 6.040 -6.823 497 HD3 LYS 62 3HD LYS 62 9.777 4.506 -7.473 498 HE2 LYS 62 2HE LYS 62 8.901 5.707 -9.470 499 HE3 LYS 62 3HE LYS 62 9.497 7.233 -8.807 500 HZ1 LYS 62 3HZ LYS 62 11.010 6.328 -10.442 501 HZ2 LYS 62 1HZ LYS 62 11.168 4.897 -9.555 502 HZ3 LYS 62 2HZ LYS 62 11.740 6.354 -8.919 503 H LEU 63 H LEU 63 4.737 3.728 -6.262 504 HA LEU 63 HA LEU 63 5.322 3.833 -3.524 505 HB2 LEU 63 2HB LEU 63 3.230 4.622 -4.677 506 HB3 LEU 63 3HB LEU 63 2.716 2.952 -4.800 507 HG LEU 63 HG LEU 63 2.607 2.791 -2.322 508 HD11 LEU 63 1HD1 LEU 63 4.350 4.374 -1.705 509 HD12 LEU 63 2HD1 LEU 63 2.836 4.794 -0.913 510 HD13 LEU 63 3HD1 LEU 63 3.383 5.725 -2.310 511 HD21 LEU 63 3HD2 LEU 63 0.596 3.440 -3.562 512 HD22 LEU 63 1HD2 LEU 63 1.042 5.144 -3.434 513 HD23 LEU 63 2HD2 LEU 63 0.639 4.218 -1.983 514 H ALA 64 H ALA 64 4.473 1.059 -5.592 515 HA ALA 64 HA ALA 64 3.957 -0.870 -3.610 516 HB1 ALA 64 3HB ALA 64 3.341 -1.180 -5.968 517 HB2 ALA 64 1HB ALA 64 4.308 -2.539 -5.380 518 HB3 ALA 64 2HB ALA 64 5.044 -1.304 -6.410 519 H GLN 65 H GLN 65 6.918 -0.031 -5.327 520 HA GLN 65 HA GLN 65 8.702 -1.961 -4.400 521 HB2 GLN 65 2HB GLN 65 9.261 0.965 -5.063 522 HB3 GLN 65 3HB GLN 65 10.481 -0.314 -4.986 523 HG2 GLN 65 2HG GLN 65 9.593 -1.408 -6.899 524 HG3 GLN 65 3HG GLN 65 8.117 -0.446 -6.864 525 HE21 GLN 65 1HE2 GLN 65 8.364 0.230 -8.956 526 HE22 GLN 65 2HE2 GLN 65 9.585 1.337 -9.458 527 H GLN 66 H GLN 66 7.913 1.227 -3.046 528 HA GLN 66 HA GLN 66 9.634 1.214 -0.839 529 HB2 GLN 66 2HB GLN 66 7.000 2.672 -1.295 530 HB3 GLN 66 3HB GLN 66 8.128 3.045 0.006 531 HG2 GLN 66 2HG GLN 66 8.702 3.293 -2.964 532 HG3 GLN 66 3HG GLN 66 8.340 4.622 -1.865 533 HE21 GLN 66 1HE2 GLN 66 9.974 3.650 0.343 534 HE22 GLN 66 2HE2 GLN 66 11.618 3.860 -0.135 535 H ILE 67 H ILE 67 6.186 0.194 -1.104 536 HA ILE 67 HA ILE 67 5.763 -0.272 1.655 537 HB ILE 67 HB ILE 67 4.299 -1.369 -0.786 538 HG12 ILE 67 2HG1 ILE 67 3.562 0.957 1.063 539 HG13 ILE 67 3HG1 ILE 67 4.301 1.139 -0.522 540 HG21 ILE 67 1HG2 ILE 67 2.395 -1.859 0.736 541 HG22 ILE 67 2HG2 ILE 67 3.398 -1.424 2.120 542 HG23 ILE 67 3HG2 ILE 67 3.815 -2.824 1.131 543 HD11 ILE 67 3HD1 ILE 67 1.937 1.594 -0.616 544 HD12 ILE 67 1HD1 ILE 67 1.566 -0.001 0.035 545 HD13 ILE 67 2HD1 ILE 67 2.311 0.153 -1.557 546 H PHE 68 H PHE 68 6.558 -2.544 -1.013 547 HA PHE 68 HA PHE 68 6.779 -4.890 0.563 548 HB2 PHE 68 2HB PHE 68 7.891 -4.186 -2.185 549 HB3 PHE 68 3HB PHE 68 8.160 -5.760 -1.446 550 HD1 PHE 68 HD1 PHE 68 5.972 -7.031 -0.638 551 HD2 PHE 68 HD2 PHE 68 5.982 -3.932 -3.592 552 HE1 PHE 68 HE1 PHE 68 3.850 -7.878 -1.550 553 HE2 PHE 68 HE2 PHE 68 3.856 -4.782 -4.485 554 HZ PHE 68 HZ PHE 68 2.790 -6.758 -3.471 555 H LEU 69 H LEU 69 9.105 -2.314 -0.193 556 HA LEU 69 HA LEU 69 11.481 -3.608 0.657 557 HB2 LEU 69 2HB LEU 69 11.563 -1.614 -0.732 558 HB3 LEU 69 3HB LEU 69 10.715 -0.677 0.480 559 HG LEU 69 HG LEU 69 12.714 -0.840 1.990 560 HD11 LEU 69 1HD1 LEU 69 13.683 -2.930 1.206 561 HD12 LEU 69 2HD1 LEU 69 14.868 -1.632 1.106 562 HD13 LEU 69 3HD1 LEU 69 14.063 -2.202 -0.358 563 HD21 LEU 69 3HD2 LEU 69 12.422 1.127 0.556 564 HD22 LEU 69 1HD2 LEU 69 13.311 0.330 -0.748 565 HD23 LEU 69 2HD2 LEU 69 14.130 0.743 0.761 566 H GLN 70 H GLN 70 9.389 -1.237 2.345 567 HA GLN 70 HA GLN 70 10.894 -1.339 4.783 568 HB2 GLN 70 2HB GLN 70 8.127 -0.152 4.292 569 HB3 GLN 70 3HB GLN 70 9.146 0.139 5.706 570 HG2 GLN 70 2HG GLN 70 10.881 1.091 4.111 571 HG3 GLN 70 3HG GLN 70 9.653 1.020 2.847 572 HE21 GLN 70 1HE2 GLN 70 11.008 3.346 3.942 573 HE22 GLN 70 2HE2 GLN 70 9.773 4.386 4.561 574 H CYS 71 H CYS 71 8.095 -3.062 3.554 575 HA CYS 71 HA CYS 71 7.982 -4.673 6.000 576 HB2 CYS 71 2HB CYS 71 5.546 -3.495 4.592 577 HB3 CYS 71 3HB CYS 71 5.514 -4.606 5.964 578 HG CYS 71 HG CYS 71 7.300 -2.355 7.187 579 HA PRO 72 HA PRO 72 8.293 -7.353 2.191 580 HB2 PRO 72 2HB PRO 72 9.829 -9.316 3.357 581 HB3 PRO 72 3HB PRO 72 10.521 -7.807 2.717 582 HG2 PRO 72 2HG PRO 72 9.803 -8.480 5.569 583 HG3 PRO 72 3HG PRO 72 11.291 -7.739 4.930 584 HD2 PRO 72 2HD PRO 72 9.335 -6.226 6.030 585 HD3 PRO 72 3HD PRO 72 10.298 -5.636 4.658 586 H GLY 73 H GLY 73 6.737 -7.630 5.182 587 HA2 GLY 73 2HA GLY 73 5.740 -10.334 4.976 588 HA3 GLY 73 3HA GLY 73 5.200 -9.083 6.085 589 H VAL 74 H VAL 74 4.904 -7.308 3.550 590 HA VAL 74 HA VAL 74 2.131 -7.717 3.071 591 HB VAL 74 HB VAL 74 4.185 -6.047 1.544 592 HG11 VAL 74 1HG1 VAL 74 2.239 -6.478 0.101 593 HG12 VAL 74 2HG1 VAL 74 2.264 -4.789 0.610 594 HG13 VAL 74 3HG1 VAL 74 1.149 -5.923 1.376 595 HG21 VAL 74 3HG2 VAL 74 3.282 -4.124 2.815 596 HG22 VAL 74 1HG2 VAL 74 3.941 -5.349 3.903 597 HG23 VAL 74 2HG2 VAL 74 2.193 -5.202 3.691 598 H GLU 75 H GLU 75 1.219 -9.158 1.750 599 HA GLU 75 HA GLU 75 2.762 -10.829 -0.059 600 HB2 GLU 75 2HB GLU 75 -0.208 -10.839 0.630 601 HB3 GLU 75 3HB GLU 75 0.619 -12.065 -0.338 602 HG2 GLU 75 2HG GLU 75 2.052 -12.602 1.637 603 HG3 GLU 75 3HG GLU 75 1.123 -11.447 2.600 604 H SER 76 H SER 76 0.130 -8.434 -0.278 605 HA SER 76 HA SER 76 0.770 -7.840 -3.040 606 HB2 SER 76 2HB SER 76 -1.555 -8.325 -3.878 607 HB3 SER 76 3HB SER 76 -0.675 -9.777 -3.408 608 HG SER 76 HG SER 76 -2.059 -10.120 -1.872 609 H LEU 77 H LEU 77 -0.779 -6.213 -3.913 610 HA LEU 77 HA LEU 77 -1.834 -4.329 -1.901 611 HB2 LEU 77 2HB LEU 77 -0.314 -3.606 -4.452 612 HB3 LEU 77 3HB LEU 77 -0.973 -2.470 -3.278 613 HG LEU 77 HG LEU 77 1.343 -4.393 -2.782 614 HD11 LEU 77 1HD1 LEU 77 2.746 -2.408 -2.736 615 HD12 LEU 77 2HD1 LEU 77 1.359 -1.387 -3.131 616 HD13 LEU 77 3HD1 LEU 77 1.945 -2.580 -4.295 617 HD21 LEU 77 3HD2 LEU 77 1.653 -3.233 -0.660 618 HD22 LEU 77 1HD2 LEU 77 0.062 -3.985 -0.725 619 HD23 LEU 77 2HD2 LEU 77 0.223 -2.242 -0.962 620 H MET 78 H MET 78 -3.577 -3.064 -2.691 621 HA MET 78 HA MET 78 -4.659 -3.667 -5.368 622 HB2 MET 78 2HB MET 78 -6.080 -4.820 -3.715 623 HB3 MET 78 3HB MET 78 -6.235 -3.343 -2.776 624 HG2 MET 78 2HG MET 78 -7.472 -2.296 -4.648 625 HG3 MET 78 3HG MET 78 -7.322 -3.793 -5.571 626 HE1 MET 78 3HE MET 78 -9.533 -6.254 -3.441 627 HE2 MET 78 1HE MET 78 -7.787 -6.037 -3.331 628 HE3 MET 78 2HE MET 78 -8.575 -6.070 -4.911 629 H ILE 79 H ILE 79 -3.991 -1.856 -6.334 630 HA ILE 79 HA ILE 79 -3.997 0.776 -5.190 631 HB ILE 79 HB ILE 79 -3.757 -0.039 -8.131 632 HG12 ILE 79 2HG1 ILE 79 -1.972 -1.189 -6.918 633 HG13 ILE 79 3HG1 ILE 79 -1.272 0.118 -7.855 634 HG21 ILE 79 1HG2 ILE 79 -2.619 2.142 -8.449 635 HG22 ILE 79 2HG2 ILE 79 -2.925 2.544 -6.758 636 HG23 ILE 79 3HG2 ILE 79 -4.277 2.334 -7.874 637 HD11 ILE 79 3HD1 ILE 79 -0.218 -0.062 -5.708 638 HD12 ILE 79 1HD1 ILE 79 -1.764 0.109 -4.887 639 HD13 ILE 79 2HD1 ILE 79 -1.098 1.464 -5.802 640 H GLY 80 H GLY 80 -6.000 1.633 -4.761 641 HA2 GLY 80 2HA GLY 80 -8.351 1.033 -6.386 642 HA3 GLY 80 3HA GLY 80 -8.263 2.114 -4.989 643 H ASP 81 H ASP 81 -8.660 4.170 -5.536 644 HA ASP 81 HA ASP 81 -7.009 5.410 -7.576 645 HB2 ASP 81 2HB ASP 81 -9.014 6.708 -8.529 646 HB3 ASP 81 3HB ASP 81 -8.827 5.040 -9.030 647 H ASP 82 H ASP 82 -9.772 6.207 -5.430 648 HA ASP 82 HA ASP 82 -8.363 8.531 -4.374 649 HB2 ASP 82 2HB ASP 82 -10.366 8.834 -2.952 650 HB3 ASP 82 3HB ASP 82 -10.829 8.591 -4.633 651 H PHE 83 H PHE 83 -8.818 5.183 -3.608 652 HA PHE 83 HA PHE 83 -7.546 5.483 -0.953 653 HB2 PHE 83 2HB PHE 83 -8.815 3.559 -0.194 654 HB3 PHE 83 3HB PHE 83 -9.949 4.696 -0.910 655 HD1 PHE 83 HD2 PHE 83 -10.825 4.223 -3.293 656 HD2 PHE 83 HD1 PHE 83 -8.664 1.294 -1.020 657 HE1 PHE 83 HE2 PHE 83 -11.658 2.444 -4.769 658 HE2 PHE 83 HE1 PHE 83 -9.505 -0.470 -2.514 659 HZ PHE 83 HZ PHE 83 -10.999 0.106 -4.386 660 H LEU 84 H LEU 84 -6.416 3.513 -0.268 661 HA LEU 84 HA LEU 84 -5.318 1.736 -2.347 662 HB2 LEU 84 2HB LEU 84 -3.586 3.411 -1.857 663 HB3 LEU 84 3HB LEU 84 -3.794 3.182 -0.131 664 HG LEU 84 HG LEU 84 -2.826 0.898 -0.297 665 HD11 LEU 84 1HD1 LEU 84 -1.764 0.109 -2.364 666 HD12 LEU 84 2HD1 LEU 84 -2.434 1.489 -3.241 667 HD13 LEU 84 3HD1 LEU 84 -3.510 0.277 -2.539 668 HD21 LEU 84 3HD2 LEU 84 -1.342 2.786 0.169 669 HD22 LEU 84 1HD2 LEU 84 -1.059 3.013 -1.560 670 HD23 LEU 84 2HD2 LEU 84 -0.510 1.538 -0.756 671 H THR 85 H THR 85 -5.112 -0.408 -1.602 672 HA THR 85 HA THR 85 -5.779 -0.972 1.237 673 HB THR 85 HB THR 85 -6.620 -2.622 -1.191 674 HG1 THR 85 HG1 THR 85 -7.730 -0.445 -0.009 675 HG21 THR 85 3HG2 THR 85 -6.317 -3.987 0.859 676 HG22 THR 85 1HG2 THR 85 -8.024 -3.872 0.416 677 HG23 THR 85 2HG2 THR 85 -7.386 -2.896 1.742 678 H ILE 86 H ILE 86 -4.327 -2.242 2.251 679 HA ILE 86 HA ILE 86 -2.076 -3.409 0.705 680 HB ILE 86 HB ILE 86 -2.130 -2.707 3.676 681 HG12 ILE 86 2HG1 ILE 86 -2.405 -0.634 2.355 682 HG13 ILE 86 3HG1 ILE 86 -0.837 -0.676 3.144 683 HG21 ILE 86 1HG2 ILE 86 0.206 -3.368 1.839 684 HG22 ILE 86 2HG2 ILE 86 -0.460 -4.415 3.093 685 HG23 ILE 86 3HG2 ILE 86 0.337 -2.906 3.539 686 HD11 ILE 86 3HD1 ILE 86 0.202 -1.292 1.018 687 HD12 ILE 86 1HD1 ILE 86 -0.683 0.229 0.933 688 HD13 ILE 86 2HD1 ILE 86 -1.385 -1.230 0.240 689 H ASN 87 H ASN 87 -1.903 -5.593 0.730 690 HA ASN 87 HA ASN 87 -3.483 -7.184 2.665 691 HB2 ASN 87 2HB ASN 87 -2.408 -8.019 -0.067 692 HB3 ASN 87 3HB ASN 87 -3.428 -8.996 0.984 693 HD21 ASN 87 1HD2 ASN 87 -3.908 -8.147 -1.765 694 HD22 ASN 87 2HD2 ASN 87 -5.398 -7.273 -1.750 695 H LYS 88 H LYS 88 -2.187 -7.756 4.322 696 HA LYS 88 HA LYS 88 0.637 -8.502 3.805 697 HB2 LYS 88 2HB LYS 88 1.289 -7.347 5.659 698 HB3 LYS 88 3HB LYS 88 -0.285 -6.588 5.614 699 HG2 LYS 88 2HG LYS 88 0.429 -9.012 7.298 700 HG3 LYS 88 3HG LYS 88 0.416 -7.348 7.878 701 HD2 LYS 88 2HD LYS 88 -2.027 -7.230 7.429 702 HD3 LYS 88 3HD LYS 88 -2.014 -8.898 6.865 703 HE2 LYS 88 2HE LYS 88 -1.308 -9.641 9.101 704 HE3 LYS 88 3HE LYS 88 -1.300 -7.969 9.664 705 HZ1 LYS 88 3HZ LYS 88 -3.682 -9.380 8.631 706 HZ2 LYS 88 1HZ LYS 88 -3.644 -7.843 9.327 707 HZ3 LYS 88 2HZ LYS 88 -3.309 -9.209 10.267 708 H ASP 89 H ASP 89 1.505 -10.280 5.179 709 HA ASP 89 HA ASP 89 -0.256 -12.555 5.232 710 HB2 ASP 89 2HB ASP 89 2.177 -12.705 4.622 711 HB3 ASP 89 3HB ASP 89 2.596 -12.334 6.294 712 H ARG 90 H ARG 90 -0.909 -13.743 7.051 713 HA ARG 90 HA ARG 90 -2.004 -12.227 9.127 714 HB2 ARG 90 2HB ARG 90 -2.777 -14.382 10.061 715 HB3 ARG 90 3HB ARG 90 -3.033 -14.292 8.319 716 HG2 ARG 90 2HG ARG 90 -1.130 -15.747 7.893 717 HG3 ARG 90 3HG ARG 90 -0.679 -15.731 9.599 718 HD2 ARG 90 2HD ARG 90 -2.822 -16.883 10.138 719 HD3 ARG 90 3HD ARG 90 -3.181 -16.972 8.409 720 HE ARG 90 HE ARG 90 -0.942 -18.228 8.303 721 HH11 ARG 90 1HH1 ARG 90 -3.114 -18.491 11.060 722 HH12 ARG 90 2HH1 ARG 90 -2.571 -20.083 11.481 723 HH21 ARG 90 1HH2 ARG 90 -0.263 -20.319 8.869 724 HH22 ARG 90 2HH2 ARG 90 -0.963 -21.111 10.242 725 H MET 91 H MET 91 0.991 -14.083 9.037 726 HA MET 91 HA MET 91 1.382 -14.291 11.866 727 HB2 MET 91 2HB MET 91 3.471 -14.532 9.654 728 HB3 MET 91 3HB MET 91 3.619 -15.132 11.304 729 HG2 MET 91 2HG MET 91 1.664 -16.150 9.217 730 HG3 MET 91 3HG MET 91 3.156 -16.950 9.704 731 HE1 MET 91 3HE MET 91 2.296 -18.108 13.359 732 HE2 MET 91 1HE MET 91 3.141 -16.632 12.894 733 HE3 MET 91 2HE MET 91 3.491 -18.149 12.065 734 H VAL 92 H VAL 92 2.060 -11.876 9.469 735 HA VAL 92 HA VAL 92 3.880 -10.317 11.165 736 HB VAL 92 HB VAL 92 2.804 -9.538 8.414 737 HG11 VAL 92 1HG1 VAL 92 3.891 -7.730 9.697 738 HG12 VAL 92 2HG1 VAL 92 4.850 -8.158 8.278 739 HG13 VAL 92 3HG1 VAL 92 5.342 -8.720 9.879 740 HG21 VAL 92 3HG2 VAL 92 5.300 -11.185 8.969 741 HG22 VAL 92 1HG2 VAL 92 4.828 -10.533 7.398 742 HG23 VAL 92 2HG2 VAL 92 3.834 -11.765 8.177 743 H HIS 93 H HIS 93 3.239 -8.309 12.017 744 HA HIS 93 HA HIS 93 0.305 -7.889 12.205 745 HB2 HIS 93 2HB HIS 93 2.485 -7.114 14.195 746 HB3 HIS 93 3HB HIS 93 0.751 -6.893 14.422 747 HD1 HIS 93 HD1 HIS 93 3.457 -9.406 14.720 748 HD2 HIS 93 HD2 HIS 93 -0.692 -9.338 14.887 749 HE1 HIS 93 HE1 HIS 93 2.780 -11.619 15.684 750 HE2 HIS 93 HE2 HIS 93 0.271 -11.607 15.624 751 H TRP 94 H TRP 94 -0.578 -5.830 12.046 752 HA TRP 94 HA TRP 94 0.605 -3.946 10.315 753 HB2 TRP 94 2HB TRP 94 -1.808 -3.669 12.143 754 HB3 TRP 94 3HB TRP 94 -1.351 -2.459 10.955 755 HD1 TRP 94 HD1 TRP 94 -3.651 -5.274 11.308 756 HE1 TRP 94 HE1 TRP 94 -4.520 -6.045 9.017 757 HE3 TRP 94 HE3 TRP 94 -0.220 -2.934 8.297 758 HZ2 TRP 94 HZ2 TRP 94 -3.834 -5.734 6.308 759 HZ3 TRP 94 HZ3 TRP 94 -0.402 -3.236 5.860 760 HH2 TRP 94 HH2 TRP 94 -2.174 -4.609 4.887 761 H ASN 95 H ASN 95 1.067 -4.340 13.675 762 HA ASN 95 HA ASN 95 1.412 -1.813 14.732 763 HB2 ASN 95 2HB ASN 95 3.033 -4.336 15.298 764 HB3 ASN 95 3HB ASN 95 3.053 -2.892 16.314 765 HD21 ASN 95 1HD2 ASN 95 1.263 -2.450 17.628 766 HD22 ASN 95 2HD2 ASN 95 0.008 -3.606 17.900 767 H SER 96 H SER 96 3.662 -3.637 12.699 768 HA SER 96 HA SER 96 5.702 -1.494 12.873 769 HB2 SER 96 2HB SER 96 5.970 -4.363 11.890 770 HB3 SER 96 3HB SER 96 7.285 -3.198 12.039 771 HG SER 96 HG SER 96 7.433 -4.156 13.922 772 H ILE 97 H ILE 97 3.141 -2.184 10.916 773 HA ILE 97 HA ILE 97 4.539 -1.787 8.323 774 HB ILE 97 HB ILE 97 1.766 -2.954 8.851 775 HG12 ILE 97 2HG1 ILE 97 4.335 -4.437 8.112 776 HG13 ILE 97 3HG1 ILE 97 3.543 -4.479 9.686 777 HG21 ILE 97 1HG2 ILE 97 1.937 -1.896 6.639 778 HG22 ILE 97 2HG2 ILE 97 1.791 -3.645 6.481 779 HG23 ILE 97 3HG2 ILE 97 3.361 -2.868 6.267 780 HD11 ILE 97 3HD1 ILE 97 3.053 -6.480 8.431 781 HD12 ILE 97 1HD1 ILE 97 2.406 -5.537 7.091 782 HD13 ILE 97 2HD1 ILE 97 1.582 -5.542 8.654 783 H LYS 98 H LYS 98 1.592 -0.843 10.156 784 HA LYS 98 HA LYS 98 0.388 0.702 8.196 785 HB2 LYS 98 2HB LYS 98 -0.775 -0.203 10.230 786 HB3 LYS 98 3HB LYS 98 -0.019 1.064 11.189 787 HG2 LYS 98 2HG LYS 98 -1.160 2.781 9.790 788 HG3 LYS 98 3HG LYS 98 -1.929 1.496 8.872 789 HD2 LYS 98 2HD LYS 98 -3.638 2.097 10.330 790 HD3 LYS 98 3HD LYS 98 -2.909 0.747 11.193 791 HE2 LYS 98 2HE LYS 98 -2.283 3.668 11.752 792 HE3 LYS 98 3HE LYS 98 -3.485 2.726 12.632 793 HZ1 LYS 98 3HZ LYS 98 -0.570 2.183 12.527 794 HZ2 LYS 98 1HZ LYS 98 -1.715 1.225 13.322 795 HZ3 LYS 98 2HZ LYS 98 -1.435 2.808 13.832 796 HA PRO 99 HA PRO 99 2.181 4.797 10.302 797 HB2 PRO 99 2HB PRO 99 4.681 4.567 11.513 798 HB3 PRO 99 3HB PRO 99 3.145 4.489 12.405 799 HG2 PRO 99 2HG PRO 99 4.862 2.224 11.410 800 HG3 PRO 99 3HG PRO 99 4.085 2.428 13.001 801 HD2 PRO 99 2HD PRO 99 2.975 0.840 11.150 802 HD3 PRO 99 3HD PRO 99 1.957 1.853 12.190 803 H GLU 100 H GLU 100 4.367 2.331 9.049 804 HA GLU 100 HA GLU 100 6.206 4.020 7.711 805 HB2 GLU 100 2HB GLU 100 5.501 1.141 7.006 806 HB3 GLU 100 3HB GLU 100 7.000 1.989 6.617 807 HG2 GLU 100 2HG GLU 100 6.030 1.156 9.374 808 HG3 GLU 100 3HG GLU 100 7.346 0.427 8.457 809 H ILE 101 H ILE 101 3.295 2.256 6.613 810 HA ILE 101 HA ILE 101 3.484 3.093 3.882 811 HB ILE 101 HB ILE 101 1.132 1.904 5.409 812 HG12 ILE 101 2HG1 ILE 101 3.236 0.611 3.609 813 HG13 ILE 101 3HG1 ILE 101 3.100 0.417 5.355 814 HG21 ILE 101 1HG2 ILE 101 0.161 1.323 3.204 815 HG22 ILE 101 2HG2 ILE 101 1.472 2.183 2.394 816 HG23 ILE 101 3HG2 ILE 101 0.315 3.069 3.389 817 HD11 ILE 101 3HD1 ILE 101 2.269 -1.524 4.224 818 HD12 ILE 101 1HD1 ILE 101 1.141 -0.552 3.283 819 HD13 ILE 101 2HD1 ILE 101 0.936 -0.702 5.032 820 H ILE 102 H ILE 102 1.597 4.336 6.694 821 HA ILE 102 HA ILE 102 0.110 6.343 5.450 822 HB ILE 102 HB ILE 102 1.443 6.380 8.202 823 HG12 ILE 102 2HG1 ILE 102 -1.474 5.815 7.477 824 HG13 ILE 102 3HG1 ILE 102 -0.271 4.568 7.789 825 HG21 ILE 102 1HG2 ILE 102 -0.132 8.194 8.830 826 HG22 ILE 102 2HG2 ILE 102 -0.716 8.265 7.164 827 HG23 ILE 102 3HG2 ILE 102 0.953 8.700 7.536 828 HD11 ILE 102 3HD1 ILE 102 -0.025 5.359 10.081 829 HD12 ILE 102 1HD1 ILE 102 -1.695 4.932 9.714 830 HD13 ILE 102 2HD1 ILE 102 -1.218 6.628 9.782 831 H ASP 103 H ASP 103 3.469 6.359 6.601 832 HA ASP 103 HA ASP 103 4.088 9.058 5.948 833 HB2 ASP 103 2HB ASP 103 5.385 7.727 7.594 834 HB3 ASP 103 3HB ASP 103 5.974 6.689 6.300 835 H LEU 104 H LEU 104 4.500 5.985 4.154 836 HA LEU 104 HA LEU 104 5.971 6.942 1.951 837 HB2 LEU 104 2HB LEU 104 4.042 4.606 2.182 838 HB3 LEU 104 3HB LEU 104 5.037 4.888 0.756 839 HG LEU 104 HG LEU 104 6.103 4.349 3.555 840 HD11 LEU 104 1HD1 LEU 104 6.013 2.505 1.157 841 HD12 LEU 104 2HD1 LEU 104 5.050 2.359 2.632 842 HD13 LEU 104 3HD1 LEU 104 6.801 2.169 2.703 843 HD21 LEU 104 3HD2 LEU 104 8.300 4.158 2.476 844 HD22 LEU 104 1HD2 LEU 104 7.623 5.773 2.287 845 HD23 LEU 104 2HD2 LEU 104 7.595 4.641 0.931 846 H LEU 105 H LEU 105 2.484 6.743 2.484 847 HA LEU 105 HA LEU 105 1.712 7.733 -0.081 848 HB2 LEU 105 2HB LEU 105 0.259 7.206 2.505 849 HB3 LEU 105 3HB LEU 105 -0.526 8.213 1.302 850 HG LEU 105 HG LEU 105 -0.397 6.361 -0.357 851 HD11 LEU 105 1HD1 LEU 105 0.224 4.102 0.299 852 HD12 LEU 105 2HD1 LEU 105 0.710 4.675 1.894 853 HD13 LEU 105 3HD1 LEU 105 1.588 5.203 0.457 854 HD21 LEU 105 3HD2 LEU 105 -2.421 6.626 0.986 855 HD22 LEU 105 1HD2 LEU 105 -1.754 5.577 2.241 856 HD23 LEU 105 2HD2 LEU 105 -2.121 4.925 0.640 857 H THR 106 H THR 106 2.876 9.273 2.820 858 HA THR 106 HA THR 106 1.862 11.915 2.136 859 HB THR 106 HB THR 106 3.986 11.147 4.203 860 HG1 THR 106 HG1 THR 106 1.610 10.325 4.297 861 HG21 THR 106 3HG2 THR 106 3.960 13.581 3.644 862 HG22 THR 106 1HG2 THR 106 3.407 13.291 5.296 863 HG23 THR 106 2HG2 THR 106 2.238 13.638 4.023 864 H LYS 107 H LYS 107 4.858 9.975 1.860 865 HA LYS 107 HA LYS 107 6.685 11.921 1.041 866 HB2 LYS 107 2HB LYS 107 6.619 8.979 0.241 867 HB3 LYS 107 3HB LYS 107 7.996 10.044 0.011 868 HG2 LYS 107 2HG LYS 107 6.874 9.089 2.661 869 HG3 LYS 107 3HG LYS 107 8.335 8.512 1.876 870 HD2 LYS 107 2HD LYS 107 9.289 9.957 3.394 871 HD3 LYS 107 3HD LYS 107 9.056 11.094 2.067 872 HE2 LYS 107 2HE LYS 107 7.038 11.970 3.136 873 HE3 LYS 107 3HE LYS 107 7.122 10.722 4.382 874 HZ1 LYS 107 3HZ LYS 107 7.969 12.798 5.208 875 HZ2 LYS 107 1HZ LYS 107 9.099 12.891 3.957 876 HZ3 LYS 107 2HZ LYS 107 9.225 11.672 5.120 877 H GLN 108 H GLN 108 4.917 9.577 -0.982 878 HA GLN 108 HA GLN 108 5.919 10.323 -3.466 879 HB2 GLN 108 2HB GLN 108 4.751 8.192 -2.995 880 HB3 GLN 108 3HB GLN 108 3.231 9.059 -2.785 881 HG2 GLN 108 2HG GLN 108 3.370 9.781 -5.181 882 HG3 GLN 108 3HG GLN 108 4.817 8.786 -5.359 883 HE21 GLN 108 1HE2 GLN 108 1.356 8.767 -4.899 884 HE22 GLN 108 2HE2 GLN 108 1.113 7.103 -5.298 885 H LEU 109 H LEU 109 2.912 11.339 -1.866 886 HA LEU 109 HA LEU 109 1.962 12.981 -4.003 887 HB2 LEU 109 2HB LEU 109 1.166 12.979 -1.070 888 HB3 LEU 109 3HB LEU 109 0.259 13.730 -2.376 889 HG LEU 109 HG LEU 109 0.722 10.736 -2.022 890 HD11 LEU 109 1HD1 LEU 109 -1.797 12.376 -1.645 891 HD12 LEU 109 2HD1 LEU 109 -0.830 11.627 -0.371 892 HD13 LEU 109 3HD1 LEU 109 -1.676 10.616 -1.538 893 HD21 LEU 109 3HD2 LEU 109 -0.858 10.432 -3.889 894 HD22 LEU 109 1HD2 LEU 109 0.594 11.289 -4.402 895 HD23 LEU 109 2HD2 LEU 109 -0.908 12.178 -4.139 896 H ALA 110 H ALA 110 4.001 13.579 -1.158 897 HA ALA 110 HA ALA 110 3.978 16.459 -1.316 898 HB1 ALA 110 3HB ALA 110 4.530 15.304 0.785 899 HB2 ALA 110 1HB ALA 110 5.844 16.370 0.287 900 HB3 ALA 110 2HB ALA 110 5.982 14.626 0.046 901 H TYR 111 H TYR 111 5.893 13.908 -2.809 902 HA TYR 111 HA TYR 111 7.821 15.625 -4.065 903 HB2 TYR 111 2HB TYR 111 6.864 12.824 -4.795 904 HB3 TYR 111 3HB TYR 111 8.191 13.644 -5.600 905 HD1 TYR 111 HD2 TYR 111 9.895 14.726 -3.586 906 HD2 TYR 111 HD1 TYR 111 7.660 11.088 -3.422 907 HE1 TYR 111 HE2 TYR 111 11.488 13.815 -1.953 908 HE2 TYR 111 HE1 TYR 111 9.254 10.180 -1.795 909 HH TYR 111 HH TYR 111 11.487 10.497 -1.024 910 H GLY 112 H GLY 112 4.533 14.703 -4.698 911 HA2 GLY 112 2HA GLY 112 3.016 15.755 -6.125 912 HA3 GLY 112 3HA GLY 112 4.345 16.461 -7.044 913 H GLU 113 H GLU 113 3.860 13.069 -6.127 914 HA GLU 113 HA GLU 113 3.865 12.264 -8.980 915 HB2 GLU 113 2HB GLU 113 5.221 10.826 -6.650 916 HB3 GLU 113 3HB GLU 113 5.203 10.289 -8.332 917 HG2 GLU 113 2HG GLU 113 6.459 12.370 -8.950 918 HG3 GLU 113 3HG GLU 113 6.561 12.770 -7.233 919 H ASP 114 H ASP 114 2.865 10.259 -9.457 920 HA ASP 114 HA ASP 114 0.809 9.297 -7.558 921 HB2 ASP 114 2HB ASP 114 -0.449 8.505 -9.518 922 HB3 ASP 114 3HB ASP 114 -0.116 10.229 -9.666 923 H VAL 115 H VAL 115 0.267 6.881 -8.240 924 HA VAL 115 HA VAL 115 2.582 5.475 -7.289 925 HB VAL 115 HB VAL 115 0.614 4.872 -6.160 926 HG11 VAL 115 1HG1 VAL 115 -1.051 5.687 -7.744 927 HG12 VAL 115 2HG1 VAL 115 -1.462 4.056 -7.213 928 HG13 VAL 115 3HG1 VAL 115 -0.750 4.314 -8.808 929 HG21 VAL 115 3HG2 VAL 115 2.063 2.916 -6.653 930 HG22 VAL 115 1HG2 VAL 115 1.098 2.561 -8.089 931 HG23 VAL 115 2HG2 VAL 115 0.371 2.453 -6.484 932 H ILE 116 H ILE 116 0.515 4.928 -10.251 933 HA ILE 116 HA ILE 116 2.348 2.951 -11.282 934 HB ILE 116 HB ILE 116 -0.012 4.350 -12.627 935 HG12 ILE 116 2HG1 ILE 116 -0.891 1.891 -12.685 936 HG13 ILE 116 3HG1 ILE 116 0.407 1.515 -11.563 937 HG21 ILE 116 1HG2 ILE 116 0.255 2.799 -14.555 938 HG22 ILE 116 2HG2 ILE 116 1.772 2.215 -13.866 939 HG23 ILE 116 3HG2 ILE 116 1.632 3.892 -14.397 940 HD11 ILE 116 3HD1 ILE 116 -1.737 1.795 -10.467 941 HD12 ILE 116 1HD1 ILE 116 -1.849 3.449 -11.072 942 HD13 ILE 116 2HD1 ILE 116 -0.578 3.008 -9.928 943 H SER 117 H SER 117 4.331 3.671 -11.577 944 HA SER 117 HA SER 117 4.976 6.213 -12.921 945 HB2 SER 117 2HB SER 117 7.258 5.736 -11.920 946 HB3 SER 117 3HB SER 117 5.975 5.870 -10.722 947 HG SER 117 HG SER 117 6.400 3.316 -11.682 948 H LYS 118 H LYS 118 7.629 5.396 -13.751 949 HA LYS 118 HA LYS 118 8.840 4.547 -15.444 950 HB2 LYS 118 2HB LYS 118 6.838 2.258 -15.281 951 HB3 LYS 118 3HB LYS 118 8.257 2.217 -16.324 952 HG2 LYS 118 2HG LYS 118 8.339 2.494 -13.302 953 HG3 LYS 118 3HG LYS 118 8.521 0.973 -14.185 954 HD2 LYS 118 2HD LYS 118 10.543 1.921 -15.329 955 HD3 LYS 118 3HD LYS 118 10.385 3.384 -14.346 956 HE2 LYS 118 2HE LYS 118 10.687 2.030 -12.302 957 HE3 LYS 118 3HE LYS 118 10.842 0.572 -13.280 958 HZ1 LYS 118 3HZ LYS 118 12.823 1.566 -14.298 959 HZ2 LYS 118 1HZ LYS 118 12.985 1.365 -12.628 960 HZ3 LYS 118 2HZ LYS 118 12.680 2.897 -13.269 961 H GLU 119 H GLU 119 6.565 6.337 -15.963 962 HA GLU 119 HA GLU 119 6.208 5.863 -18.861 963 HB2 GLU 119 2HB GLU 119 3.954 7.145 -18.517 964 HB3 GLU 119 3HB GLU 119 4.035 5.440 -18.083 965 HG2 GLU 119 2HG GLU 119 4.225 5.995 -15.723 966 HG3 GLU 119 3HG GLU 119 4.307 7.718 -16.097 Start of MODEL 15 1 H1 MET 1 1H MET 1 21.991 3.190 39.526 2 H2 MET 1 2H MET 1 20.649 4.216 39.501 3 H3 MET 1 3H MET 1 21.323 3.743 40.974 4 HA MET 1 HA MET 1 21.889 6.019 40.379 5 HB2 MET 1 2HB MET 1 24.305 5.842 40.849 6 HB3 MET 1 3HB MET 1 23.408 4.695 41.832 7 HG2 MET 1 2HG MET 1 24.063 2.869 40.320 8 HG3 MET 1 3HG MET 1 24.952 4.014 39.314 9 HE1 MET 1 3HE MET 1 26.368 1.396 40.445 10 HE2 MET 1 1HE MET 1 27.882 2.055 41.057 11 HE3 MET 1 2HE MET 1 27.237 2.622 39.517 12 H GLY 2 H GLY 2 23.336 7.391 39.062 13 HA2 GLY 2 2HA GLY 2 24.428 8.057 37.146 14 HA3 GLY 2 3HA GLY 2 24.355 6.417 36.528 15 H HIS 3 H HIS 3 21.796 8.692 37.525 16 HA HIS 3 HA HIS 3 20.262 8.310 35.107 17 HB2 HIS 3 2HB HIS 3 19.929 10.195 37.480 18 HB3 HIS 3 3HB HIS 3 18.863 10.251 36.080 19 HD1 HIS 3 HD1 HIS 3 16.953 9.678 37.815 20 HD2 HIS 3 HD2 HIS 3 19.722 6.638 37.183 21 HE1 HIS 3 HE1 HIS 3 15.897 7.600 38.736 22 HE2 HIS 3 HE2 HIS 3 17.673 5.832 38.530 23 H HIS 4 H HIS 4 21.220 9.020 33.289 24 HA HIS 4 HA HIS 4 22.527 11.689 33.176 25 HB2 HIS 4 2HB HIS 4 23.836 10.752 31.257 26 HB3 HIS 4 3HB HIS 4 24.117 9.874 32.759 27 HD1 HIS 4 HD1 HIS 4 23.171 7.438 32.921 28 HD2 HIS 4 HD2 HIS 4 22.635 9.214 29.195 29 HE1 HIS 4 HE1 HIS 4 22.500 5.577 31.368 30 HE2 HIS 4 HE2 HIS 4 22.109 6.694 29.147 31 H HIS 5 H HIS 5 22.318 12.874 31.139 32 HA HIS 5 HA HIS 5 20.076 12.143 29.368 33 HB2 HIS 5 2HB HIS 5 20.368 14.838 30.772 34 HB3 HIS 5 3HB HIS 5 19.279 14.554 29.419 35 HD1 HIS 5 HD1 HIS 5 19.111 14.848 32.922 36 HD2 HIS 5 HD2 HIS 5 17.455 12.175 30.201 37 HE1 HIS 5 HE1 HIS 5 17.171 13.789 34.113 38 HE2 HIS 5 HE2 HIS 5 16.114 12.273 32.398 39 H HIS 6 H HIS 6 20.432 12.653 27.268 40 HA HIS 6 HA HIS 6 22.585 14.506 26.489 41 HB2 HIS 6 2HB HIS 6 22.334 11.627 25.502 42 HB3 HIS 6 3HB HIS 6 23.300 12.847 24.677 43 HD1 HIS 6 HD1 HIS 6 23.778 10.156 26.898 44 HD2 HIS 6 HD2 HIS 6 25.250 14.035 26.745 45 HE1 HIS 6 HE1 HIS 6 25.869 10.140 28.283 46 HE2 HIS 6 HE2 HIS 6 26.592 12.542 28.356 47 H HIS 7 H HIS 7 22.079 15.701 24.720 48 HA HIS 7 HA HIS 7 19.337 15.925 24.002 49 HB2 HIS 7 2HB HIS 7 20.716 17.920 24.193 50 HB3 HIS 7 3HB HIS 7 21.808 17.349 22.936 51 HD1 HIS 7 HD1 HIS 7 21.418 18.525 20.787 52 HD2 HIS 7 HD2 HIS 7 17.897 18.151 22.965 53 HE1 HIS 7 HE1 HIS 7 19.643 19.631 19.406 54 HE2 HIS 7 HE2 HIS 7 17.578 19.556 20.832 55 H HIS 8 H HIS 8 18.569 14.206 22.884 56 HA HIS 8 HA HIS 8 19.736 13.338 20.334 57 HB2 HIS 8 2HB HIS 8 17.124 12.476 21.673 58 HB3 HIS 8 3HB HIS 8 17.893 11.694 20.296 59 HD1 HIS 8 HD1 HIS 8 17.285 10.827 23.516 60 HD2 HIS 8 HD2 HIS 8 20.859 11.136 21.425 61 HE1 HIS 8 HE1 HIS 8 18.911 9.352 24.738 62 HE2 HIS 8 HE2 HIS 8 20.982 9.392 23.310 63 H SER 9 H SER 9 19.004 14.097 18.372 64 HA SER 9 HA SER 9 17.213 16.373 18.314 65 HB2 SER 9 2HB SER 9 17.797 16.412 15.861 66 HB3 SER 9 3HB SER 9 19.218 16.403 16.904 67 HG SER 9 HG SER 9 18.904 14.833 14.960 68 H HIS 10 H HIS 10 15.061 16.304 17.900 69 HA HIS 10 HA HIS 10 13.828 13.843 16.840 70 HB2 HIS 10 2HB HIS 10 11.714 14.615 17.718 71 HB3 HIS 10 3HB HIS 10 12.907 14.804 18.990 72 HD1 HIS 10 HD1 HIS 10 13.305 17.177 19.886 73 HD2 HIS 10 HD2 HIS 10 10.679 17.055 16.677 74 HE1 HIS 10 HE1 HIS 10 12.233 19.441 19.801 75 HE2 HIS 10 HE2 HIS 10 10.644 19.336 17.851 76 H MET 11 H MET 11 12.390 13.921 15.088 77 HA MET 11 HA MET 11 12.971 15.945 13.074 78 HB2 MET 11 2HB MET 11 11.331 13.382 12.922 79 HB3 MET 11 3HB MET 11 11.680 14.430 11.553 80 HG2 MET 11 2HG MET 11 13.166 12.544 11.461 81 HG3 MET 11 3HG MET 11 14.118 13.965 11.873 82 HE1 MET 11 3HE MET 11 12.968 10.662 14.914 83 HE2 MET 11 1HE MET 11 12.572 10.573 13.200 84 HE3 MET 11 2HE MET 11 11.779 11.772 14.225 85 H ASN 12 H ASN 12 11.789 17.791 13.225 86 HA ASN 12 HA ASN 12 9.000 17.896 13.976 87 HB2 ASN 12 2HB ASN 12 10.844 19.957 12.681 88 HB3 ASN 12 3HB ASN 12 9.152 20.290 13.039 89 HD21 ASN 12 1HD2 ASN 12 11.564 21.575 14.071 90 HD22 ASN 12 2HD2 ASN 12 11.468 21.441 15.792 91 H SER 13 H SER 13 7.793 16.566 12.647 92 HA SER 13 HA SER 13 8.101 16.297 9.848 93 HB2 SER 13 2HB SER 13 5.770 15.195 10.036 94 HB3 SER 13 3HB SER 13 7.071 14.488 10.991 95 HG SER 13 HG SER 13 5.374 14.667 12.352 96 H GLN 14 H GLN 14 8.074 18.229 8.782 97 HA GLN 14 HA GLN 14 6.287 20.395 9.369 98 HB2 GLN 14 2HB GLN 14 8.659 20.627 8.511 99 HB3 GLN 14 3HB GLN 14 8.096 20.060 6.942 100 HG2 GLN 14 2HG GLN 14 6.614 22.018 6.753 101 HG3 GLN 14 3HG GLN 14 7.122 22.567 8.352 102 HE21 GLN 14 1HE2 GLN 14 9.258 23.380 8.614 103 HE22 GLN 14 2HE2 GLN 14 10.194 23.908 7.259 104 H ARG 15 H ARG 15 6.691 18.272 6.503 105 HA ARG 15 HA ARG 15 3.843 18.677 5.856 106 HB2 ARG 15 2HB ARG 15 4.355 17.551 3.687 107 HB3 ARG 15 3HB ARG 15 5.210 19.064 3.938 108 HG2 ARG 15 2HG ARG 15 7.271 17.771 4.508 109 HG3 ARG 15 3HG ARG 15 6.390 16.277 4.162 110 HD2 ARG 15 2HD ARG 15 7.759 16.969 2.230 111 HD3 ARG 15 3HD ARG 15 6.037 17.005 1.833 112 HE ARG 15 HE ARG 15 7.704 19.397 2.418 113 HH11 ARG 15 1HH1 ARG 15 4.944 17.960 0.763 114 HH12 ARG 15 2HH1 ARG 15 4.523 19.418 -0.070 115 HH21 ARG 15 1HH2 ARG 15 7.094 21.326 1.369 116 HH22 ARG 15 2HH2 ARG 15 5.746 21.334 0.276 117 H LEU 16 H LEU 16 2.886 17.458 7.382 118 HA LEU 16 HA LEU 16 3.104 14.534 6.998 119 HB2 LEU 16 2HB LEU 16 2.119 14.134 9.142 120 HB3 LEU 16 3HB LEU 16 3.496 15.192 9.364 121 HG LEU 16 HG LEU 16 0.599 16.150 9.421 122 HD11 LEU 16 1HD1 LEU 16 2.421 15.478 11.746 123 HD12 LEU 16 2HD1 LEU 16 0.991 14.573 11.236 124 HD13 LEU 16 3HD1 LEU 16 0.817 16.213 11.856 125 HD21 LEU 16 3HD2 LEU 16 3.157 17.553 10.278 126 HD22 LEU 16 1HD2 LEU 16 1.518 18.170 10.512 127 HD23 LEU 16 2HD2 LEU 16 2.154 17.963 8.885 128 H ILE 17 H ILE 17 1.621 13.839 5.682 129 HA ILE 17 HA ILE 17 -0.597 15.574 4.899 130 HB ILE 17 HB ILE 17 0.707 13.155 3.590 131 HG12 ILE 17 2HG1 ILE 17 0.517 16.101 2.814 132 HG13 ILE 17 3HG1 ILE 17 1.941 15.287 3.448 133 HG21 ILE 17 1HG2 ILE 17 -1.682 12.964 3.101 134 HG22 ILE 17 2HG2 ILE 17 -0.799 13.459 1.654 135 HG23 ILE 17 3HG2 ILE 17 -1.723 14.647 2.571 136 HD11 ILE 17 3HD1 ILE 17 1.993 13.900 1.398 137 HD12 ILE 17 1HD1 ILE 17 2.196 15.628 1.111 138 HD13 ILE 17 2HD1 ILE 17 0.651 14.856 0.761 139 H HIS 18 H HIS 18 -2.709 15.059 5.072 140 HA HIS 18 HA HIS 18 -3.571 13.330 7.117 141 HB2 HIS 18 2HB HIS 18 -5.142 14.773 4.944 142 HB3 HIS 18 3HB HIS 18 -5.893 13.932 6.297 143 HD1 HIS 18 HD1 HIS 18 -5.679 17.177 5.524 144 HD2 HIS 18 HD2 HIS 18 -4.006 15.129 8.735 145 HE1 HIS 18 HE1 HIS 18 -5.250 18.911 7.290 146 HE2 HIS 18 HE2 HIS 18 -4.173 17.656 9.181 147 H ILE 19 H ILE 19 -3.184 11.255 6.914 148 HA ILE 19 HA ILE 19 -4.306 9.677 4.664 149 HB ILE 19 HB ILE 19 -1.840 9.008 6.375 150 HG12 ILE 19 2HG1 ILE 19 -1.311 10.748 4.671 151 HG13 ILE 19 3HG1 ILE 19 -0.487 9.236 4.313 152 HG21 ILE 19 1HG2 ILE 19 -3.082 7.422 4.095 153 HG22 ILE 19 2HG2 ILE 19 -3.086 6.981 5.804 154 HG23 ILE 19 3HG2 ILE 19 -1.565 7.028 4.913 155 HD11 ILE 19 3HD1 ILE 19 -2.192 8.757 2.584 156 HD12 ILE 19 1HD1 ILE 19 -1.307 10.257 2.302 157 HD13 ILE 19 2HD1 ILE 19 -2.946 10.316 2.942 158 H LYS 20 H LYS 20 -6.164 8.793 5.491 159 HA LYS 20 HA LYS 20 -6.419 8.437 8.410 160 HB2 LYS 20 2HB LYS 20 -8.070 9.956 7.462 161 HB3 LYS 20 3HB LYS 20 -8.510 8.794 6.214 162 HG2 LYS 20 2HG LYS 20 -9.523 7.320 7.867 163 HG3 LYS 20 3HG LYS 20 -8.937 8.337 9.185 164 HD2 LYS 20 2HD LYS 20 -11.340 8.705 8.755 165 HD3 LYS 20 3HD LYS 20 -10.398 10.170 8.471 166 HE2 LYS 20 2HE LYS 20 -10.466 9.650 6.010 167 HE3 LYS 20 3HE LYS 20 -11.525 8.285 6.373 168 HZ1 LYS 20 3HZ LYS 20 -12.821 10.185 5.709 169 HZ2 LYS 20 1HZ LYS 20 -12.121 11.154 6.905 170 HZ3 LYS 20 2HZ LYS 20 -13.121 9.859 7.335 171 H THR 21 H THR 21 -6.629 6.429 9.226 172 HA THR 21 HA THR 21 -6.448 4.164 7.361 173 HB THR 21 HB THR 21 -4.722 4.186 9.053 174 HG1 THR 21 HG1 THR 21 -5.720 2.153 8.446 175 HG21 THR 21 3HG2 THR 21 -6.898 4.105 11.180 176 HG22 THR 21 1HG2 THR 21 -5.831 5.476 10.847 177 HG23 THR 21 2HG2 THR 21 -5.162 3.967 11.465 178 H LEU 22 H LEU 22 -8.065 2.825 7.027 179 HA LEU 22 HA LEU 22 -10.529 2.901 8.643 180 HB2 LEU 22 2HB LEU 22 -10.311 2.677 5.605 181 HB3 LEU 22 3HB LEU 22 -11.807 2.570 6.520 182 HG LEU 22 HG LEU 22 -10.063 5.049 6.191 183 HD11 LEU 22 1HD1 LEU 22 -11.343 4.507 4.190 184 HD12 LEU 22 2HD1 LEU 22 -11.986 5.957 4.959 185 HD13 LEU 22 3HD1 LEU 22 -12.835 4.416 5.133 186 HD21 LEU 22 3HD2 LEU 22 -12.635 4.724 7.774 187 HD22 LEU 22 1HD2 LEU 22 -11.846 6.263 7.407 188 HD23 LEU 22 2HD2 LEU 22 -11.030 5.077 8.420 189 H THR 23 H THR 23 -11.359 0.962 9.136 190 HA THR 23 HA THR 23 -9.844 -1.430 8.760 191 HB THR 23 HB THR 23 -11.730 -2.500 10.058 192 HG1 THR 23 HG1 THR 23 -12.833 0.124 10.257 193 HG21 THR 23 3HG2 THR 23 -10.699 0.100 11.269 194 HG22 THR 23 1HG2 THR 23 -9.852 -1.451 11.289 195 HG23 THR 23 2HG2 THR 23 -11.371 -1.263 12.167 196 H THR 24 H THR 24 -10.511 -3.358 7.670 197 HA THR 24 HA THR 24 -12.374 -2.972 5.387 198 HB THR 24 HB THR 24 -10.844 -4.622 4.177 199 HG1 THR 24 HG1 THR 24 -9.780 -5.145 6.365 200 HG21 THR 24 3HG2 THR 24 -9.544 -1.994 4.984 201 HG22 THR 24 1HG2 THR 24 -10.707 -2.211 3.679 202 HG23 THR 24 2HG2 THR 24 -9.116 -2.969 3.574 203 HA PRO 25 HA PRO 25 -14.386 -6.865 6.706 204 HB2 PRO 25 2HB PRO 25 -14.819 -8.175 4.285 205 HB3 PRO 25 3HB PRO 25 -15.807 -6.807 4.848 206 HG2 PRO 25 2HG PRO 25 -13.473 -6.783 2.948 207 HG3 PRO 25 3HG PRO 25 -15.057 -5.983 2.791 208 HD2 PRO 25 2HD PRO 25 -12.912 -4.588 3.599 209 HD3 PRO 25 3HD PRO 25 -14.503 -4.285 4.330 210 H ASN 26 H ASN 26 -11.373 -6.872 4.993 211 HA ASN 26 HA ASN 26 -10.781 -9.679 5.687 212 HB2 ASN 26 2HB ASN 26 -9.107 -7.667 4.117 213 HB3 ASN 26 3HB ASN 26 -8.695 -9.359 4.378 214 HD21 ASN 26 1HD2 ASN 26 -8.687 -9.996 2.268 215 HD22 ASN 26 2HD2 ASN 26 -10.077 -9.990 1.241 216 H GLU 27 H GLU 27 -9.496 -10.172 7.422 217 HA GLU 27 HA GLU 27 -8.816 -8.206 9.372 218 HB2 GLU 27 2HB GLU 27 -7.792 -10.068 10.636 219 HB3 GLU 27 3HB GLU 27 -9.387 -10.498 10.031 220 HG2 GLU 27 2HG GLU 27 -8.408 -11.831 8.237 221 HG3 GLU 27 3HG GLU 27 -6.784 -11.330 8.703 222 H ASN 28 H ASN 28 -7.067 -9.674 6.746 223 HA ASN 28 HA ASN 28 -4.430 -8.796 7.729 224 HB2 ASN 28 2HB ASN 28 -3.493 -10.210 5.987 225 HB3 ASN 28 3HB ASN 28 -4.667 -11.124 6.919 226 HD21 ASN 28 1HD2 ASN 28 -3.593 -11.411 4.146 227 HD22 ASN 28 2HD2 ASN 28 -5.003 -11.553 3.164 228 H ALA 29 H ALA 29 -6.830 -7.376 5.990 229 HA ALA 29 HA ALA 29 -4.934 -5.768 4.365 230 HB1 ALA 29 3HB ALA 29 -6.689 -6.841 3.021 231 HB2 ALA 29 1HB ALA 29 -6.874 -5.087 3.014 232 HB3 ALA 29 2HB ALA 29 -7.939 -6.084 4.012 233 H LEU 30 H LEU 30 -5.209 -3.464 4.381 234 HA LEU 30 HA LEU 30 -7.014 -2.259 6.334 235 HB2 LEU 30 2HB LEU 30 -4.867 -2.747 7.581 236 HB3 LEU 30 3HB LEU 30 -4.021 -1.696 6.461 237 HG LEU 30 HG LEU 30 -5.405 0.242 7.268 238 HD11 LEU 30 1HD1 LEU 30 -6.493 -1.712 9.312 239 HD12 LEU 30 2HD1 LEU 30 -7.402 -0.980 7.986 240 HD13 LEU 30 3HD1 LEU 30 -6.770 0.033 9.281 241 HD21 LEU 30 3HD2 LEU 30 -3.192 -0.181 8.252 242 HD22 LEU 30 1HD2 LEU 30 -3.923 -1.219 9.480 243 HD23 LEU 30 2HD2 LEU 30 -4.299 0.508 9.439 244 H LYS 31 H LYS 31 -7.944 -0.653 5.338 245 HA LYS 31 HA LYS 31 -6.996 0.373 2.810 246 HB2 LYS 31 2HB LYS 31 -9.356 -0.195 3.110 247 HB3 LYS 31 3HB LYS 31 -9.494 0.924 4.462 248 HG2 LYS 31 2HG LYS 31 -9.123 2.820 2.910 249 HG3 LYS 31 3HG LYS 31 -9.014 1.684 1.556 250 HD2 LYS 31 2HD LYS 31 -11.344 0.928 2.017 251 HD3 LYS 31 3HD LYS 31 -11.445 2.066 3.363 252 HE2 LYS 31 2HE LYS 31 -11.231 3.947 1.819 253 HE3 LYS 31 3HE LYS 31 -11.020 2.839 0.462 254 HZ1 LYS 31 3HZ LYS 31 -13.280 3.666 0.564 255 HZ2 LYS 31 1HZ LYS 31 -13.460 3.087 2.140 256 HZ3 LYS 31 2HZ LYS 31 -13.268 2.002 0.862 257 H PHE 32 H PHE 32 -5.596 2.057 2.751 258 HA PHE 32 HA PHE 32 -5.674 4.168 4.818 259 HB2 PHE 32 2HB PHE 32 -3.604 3.520 2.667 260 HB3 PHE 32 3HB PHE 32 -3.513 4.925 3.727 261 HD1 PHE 32 HD2 PHE 32 -3.253 1.228 3.589 262 HD2 PHE 32 HD1 PHE 32 -2.886 4.700 6.070 263 HE1 PHE 32 HE2 PHE 32 -2.107 -0.112 5.303 264 HE2 PHE 32 HE1 PHE 32 -1.748 3.349 7.773 265 HZ PHE 32 HZ PHE 32 -1.353 0.948 7.394 266 H LEU 33 H LEU 33 -6.738 5.978 4.315 267 HA LEU 33 HA LEU 33 -7.755 6.316 1.574 268 HB2 LEU 33 2HB LEU 33 -9.397 6.003 3.497 269 HB3 LEU 33 3HB LEU 33 -8.840 7.536 4.148 270 HG LEU 33 HG LEU 33 -9.621 8.652 1.987 271 HD11 LEU 33 1HD1 LEU 33 -11.198 7.416 0.554 272 HD12 LEU 33 2HD1 LEU 33 -10.847 5.934 1.448 273 HD13 LEU 33 3HD1 LEU 33 -9.576 6.724 0.509 274 HD21 LEU 33 3HD2 LEU 33 -10.995 8.742 4.010 275 HD22 LEU 33 1HD2 LEU 33 -11.758 7.212 3.579 276 HD23 LEU 33 2HD2 LEU 33 -12.003 8.638 2.568 277 H SER 34 H SER 34 -6.991 7.961 0.426 278 HA SER 34 HA SER 34 -5.329 10.041 1.630 279 HB2 SER 34 2HB SER 34 -6.100 9.580 -1.294 280 HB3 SER 34 3HB SER 34 -4.871 10.704 -0.707 281 HG SER 34 HG SER 34 -4.619 8.059 0.095 282 H THR 35 H THR 35 -6.515 11.549 2.640 283 HA THR 35 HA THR 35 -9.127 12.420 1.632 284 HB THR 35 HB THR 35 -9.244 13.638 3.850 285 HG1 THR 35 HG1 THR 35 -7.061 13.890 4.320 286 HG21 THR 35 3HG2 THR 35 -9.523 11.627 5.253 287 HG22 THR 35 1HG2 THR 35 -8.636 10.662 4.067 288 HG23 THR 35 2HG2 THR 35 -10.204 11.360 3.647 289 H ASP 36 H ASP 36 -8.812 13.810 -0.030 290 HA ASP 36 HA ASP 36 -8.325 15.621 -1.246 291 HB2 ASP 36 2HB ASP 36 -9.314 16.865 0.632 292 HB3 ASP 36 3HB ASP 36 -7.755 16.925 1.447 293 H GLY 37 H GLY 37 -6.629 14.367 -2.137 294 HA2 GLY 37 2HA GLY 37 -3.960 15.551 -1.869 295 HA3 GLY 37 3HA GLY 37 -4.099 13.842 -1.451 296 H GLU 38 H GLU 38 -3.295 12.666 -3.142 297 HA GLU 38 HA GLU 38 -3.756 13.580 -5.910 298 HB2 GLU 38 2HB GLU 38 -1.877 11.455 -4.809 299 HB3 GLU 38 3HB GLU 38 -2.051 11.836 -6.517 300 HG2 GLU 38 2HG GLU 38 -1.040 13.714 -4.358 301 HG3 GLU 38 3HG GLU 38 -0.058 12.902 -5.579 302 H MET 39 H MET 39 -4.552 12.212 -7.489 303 HA MET 39 HA MET 39 -6.501 10.235 -6.634 304 HB2 MET 39 2HB MET 39 -6.916 12.120 -8.346 305 HB3 MET 39 3HB MET 39 -5.938 11.183 -9.471 306 HG2 MET 39 2HG MET 39 -8.294 10.761 -9.860 307 HG3 MET 39 3HG MET 39 -7.527 9.297 -9.235 308 HE1 MET 39 3HE MET 39 -11.110 9.102 -7.674 309 HE2 MET 39 1HE MET 39 -9.891 8.258 -8.628 310 HE3 MET 39 2HE MET 39 -10.681 9.699 -9.279 311 H LEU 40 H LEU 40 -5.594 8.321 -6.199 312 HA LEU 40 HA LEU 40 -3.057 7.498 -7.133 313 HB2 LEU 40 2HB LEU 40 -5.196 5.922 -5.652 314 HB3 LEU 40 3HB LEU 40 -3.531 5.397 -5.868 315 HG LEU 40 HG LEU 40 -4.488 7.785 -4.232 316 HD11 LEU 40 1HD1 LEU 40 -3.492 6.535 -2.342 317 HD12 LEU 40 2HD1 LEU 40 -3.181 5.174 -3.430 318 HD13 LEU 40 3HD1 LEU 40 -4.837 5.690 -3.106 319 HD21 LEU 40 3HD2 LEU 40 -2.389 8.415 -5.320 320 HD22 LEU 40 1HD2 LEU 40 -1.618 6.926 -4.762 321 HD23 LEU 40 2HD2 LEU 40 -2.132 8.153 -3.598 322 H GLN 41 H GLN 41 -6.294 6.129 -7.778 323 HA GLN 41 HA GLN 41 -5.298 4.799 -10.219 324 HB2 GLN 41 2HB GLN 41 -6.692 3.547 -8.460 325 HB3 GLN 41 3HB GLN 41 -8.052 4.546 -8.934 326 HG2 GLN 41 2HG GLN 41 -8.148 2.326 -9.978 327 HG3 GLN 41 3HG GLN 41 -7.987 3.599 -11.193 328 HE21 GLN 41 1HE2 GLN 41 -6.220 1.116 -9.441 329 HE22 GLN 41 2HE2 GLN 41 -4.962 0.923 -10.606 330 H THR 42 H THR 42 -6.615 5.059 -12.183 331 HA THR 42 HA THR 42 -7.175 7.865 -12.677 332 HB THR 42 HB THR 42 -7.294 5.616 -14.730 333 HG1 THR 42 HG1 THR 42 -5.067 6.747 -13.413 334 HG21 THR 42 3HG2 THR 42 -6.382 8.517 -14.952 335 HG22 THR 42 1HG2 THR 42 -7.924 7.871 -15.561 336 HG23 THR 42 2HG2 THR 42 -6.399 7.348 -16.267 337 H ARG 43 H ARG 43 -9.131 6.401 -11.047 338 HA ARG 43 HA ARG 43 -11.305 6.286 -10.609 339 HB2 ARG 43 2HB ARG 43 -11.053 8.694 -11.813 340 HB3 ARG 43 3HB ARG 43 -12.151 7.955 -12.955 341 HG2 ARG 43 2HG ARG 43 -12.668 8.406 -9.998 342 HG3 ARG 43 3HG ARG 43 -13.335 9.340 -11.330 343 HD2 ARG 43 2HD ARG 43 -15.103 7.950 -10.688 344 HD3 ARG 43 3HD ARG 43 -14.428 7.107 -12.084 345 HE ARG 43 HE ARG 43 -13.137 5.977 -9.987 346 HH11 ARG 43 1HH1 ARG 43 -16.582 6.434 -10.644 347 HH12 ARG 43 2HH1 ARG 43 -17.046 5.010 -9.759 348 HH21 ARG 43 1HH2 ARG 43 -13.759 4.147 -8.834 349 HH22 ARG 43 2HH2 ARG 43 -15.440 3.715 -8.733 350 H GLY 44 H GLY 44 -11.714 6.497 -14.179 351 HA2 GLY 44 2HA GLY 44 -13.340 4.095 -14.237 352 HA3 GLY 44 3HA GLY 44 -12.880 5.102 -15.605 353 H SER 45 H SER 45 -11.437 2.898 -13.251 354 HA SER 45 HA SER 45 -9.927 1.382 -15.173 355 HB2 SER 45 2HB SER 45 -8.527 3.458 -14.987 356 HB3 SER 45 3HB SER 45 -8.443 3.247 -13.240 357 HG SER 45 HG SER 45 -6.652 2.266 -13.829 358 H LYS 46 H LYS 46 -9.276 -0.593 -14.210 359 HA LYS 46 HA LYS 46 -10.688 -1.493 -11.939 360 HB2 LYS 46 2HB LYS 46 -8.241 -2.750 -13.254 361 HB3 LYS 46 3HB LYS 46 -9.341 -3.577 -12.157 362 HG2 LYS 46 2HG LYS 46 -10.038 -2.506 -14.910 363 HG3 LYS 46 3HG LYS 46 -9.754 -4.198 -14.491 364 HD2 LYS 46 2HD LYS 46 -11.715 -4.116 -12.952 365 HD3 LYS 46 3HD LYS 46 -12.011 -2.443 -13.445 366 HE2 LYS 46 2HE LYS 46 -12.093 -4.877 -15.266 367 HE3 LYS 46 3HE LYS 46 -13.488 -4.003 -14.639 368 HZ1 LYS 46 3HZ LYS 46 -11.427 -2.875 -16.464 369 HZ2 LYS 46 1HZ LYS 46 -12.782 -2.050 -15.878 370 HZ3 LYS 46 2HZ LYS 46 -12.980 -3.372 -16.910 371 H SER 47 H SER 47 -10.046 -1.940 -9.801 372 HA SER 47 HA SER 47 -7.888 -0.487 -8.625 373 HB2 SER 47 2HB SER 47 -8.513 -1.865 -6.537 374 HB3 SER 47 3HB SER 47 -9.805 -0.880 -7.221 375 HG SER 47 HG SER 47 -10.275 -3.166 -6.661 376 H ILE 48 H ILE 48 -5.889 -1.051 -9.302 377 HA ILE 48 HA ILE 48 -5.199 -3.673 -10.220 378 HB ILE 48 HB ILE 48 -3.392 -1.251 -9.768 379 HG12 ILE 48 2HG1 ILE 48 -4.701 -2.231 -12.348 380 HG13 ILE 48 3HG1 ILE 48 -5.273 -0.867 -11.396 381 HG21 ILE 48 1HG2 ILE 48 -2.865 -3.767 -11.395 382 HG22 ILE 48 2HG2 ILE 48 -2.080 -3.339 -9.873 383 HG23 ILE 48 3HG2 ILE 48 -1.806 -2.358 -11.313 384 HD11 ILE 48 3HD1 ILE 48 -4.037 -0.097 -13.304 385 HD12 ILE 48 1HD1 ILE 48 -2.626 -1.045 -12.840 386 HD13 ILE 48 2HD1 ILE 48 -3.156 0.307 -11.834 387 H VAL 49 H VAL 49 -4.904 -5.275 -8.831 388 HA VAL 49 HA VAL 49 -3.735 -4.920 -6.186 389 HB VAL 49 HB VAL 49 -4.632 -7.497 -7.569 390 HG11 VAL 49 1HG1 VAL 49 -4.071 -6.957 -4.628 391 HG12 VAL 49 2HG1 VAL 49 -3.058 -7.913 -5.712 392 HG13 VAL 49 3HG1 VAL 49 -4.681 -8.472 -5.300 393 HG21 VAL 49 3HG2 VAL 49 -6.713 -7.319 -6.265 394 HG22 VAL 49 1HG2 VAL 49 -6.520 -5.923 -7.330 395 HG23 VAL 49 2HG2 VAL 49 -6.180 -5.771 -5.604 396 H ILE 50 H ILE 50 -1.577 -4.693 -6.189 397 HA ILE 50 HA ILE 50 0.149 -5.904 -8.222 398 HB ILE 50 HB ILE 50 0.696 -3.760 -6.099 399 HG12 ILE 50 2HG1 ILE 50 0.253 -3.475 -9.102 400 HG13 ILE 50 3HG1 ILE 50 -0.838 -2.934 -7.831 401 HG21 ILE 50 1HG2 ILE 50 2.837 -3.355 -7.248 402 HG22 ILE 50 2HG2 ILE 50 2.514 -4.702 -8.340 403 HG23 ILE 50 3HG2 ILE 50 2.746 -5.001 -6.615 404 HD11 ILE 50 3HD1 ILE 50 1.909 -1.827 -8.412 405 HD12 ILE 50 1HD1 ILE 50 0.854 -1.318 -7.087 406 HD13 ILE 50 2HD1 ILE 50 0.353 -1.075 -8.757 407 H LYS 51 H LYS 51 0.827 -7.930 -7.563 408 HA LYS 51 HA LYS 51 1.076 -8.554 -4.699 409 HB2 LYS 51 2HB LYS 51 1.330 -10.336 -7.151 410 HB3 LYS 51 3HB LYS 51 1.364 -10.892 -5.481 411 HG2 LYS 51 2HG LYS 51 -0.968 -10.106 -5.179 412 HG3 LYS 51 3HG LYS 51 -0.999 -9.584 -6.872 413 HD2 LYS 51 2HD LYS 51 -0.601 -11.929 -7.595 414 HD3 LYS 51 3HD LYS 51 -0.568 -12.451 -5.910 415 HE2 LYS 51 2HE LYS 51 -2.923 -11.777 -5.660 416 HE3 LYS 51 3HE LYS 51 -2.949 -11.226 -7.336 417 HZ1 LYS 51 3HZ LYS 51 -2.461 -14.024 -6.464 418 HZ2 LYS 51 1HZ LYS 51 -2.537 -13.485 -8.062 419 HZ3 LYS 51 2HZ LYS 51 -3.916 -13.435 -7.082 420 H ASN 52 H ASN 52 3.006 -9.670 -3.901 421 HA ASN 52 HA ASN 52 5.438 -8.424 -4.661 422 HB2 ASN 52 2HB ASN 52 6.507 -9.898 -2.976 423 HB3 ASN 52 3HB ASN 52 5.065 -9.109 -2.357 424 HD21 ASN 52 1HD2 ASN 52 4.785 -10.607 -0.711 425 HD22 ASN 52 2HD2 ASN 52 4.303 -12.244 -0.986 426 H THR 53 H THR 53 3.856 -11.272 -5.792 427 HA THR 53 HA THR 53 6.228 -12.343 -7.136 428 HB THR 53 HB THR 53 4.759 -13.981 -6.056 429 HG1 THR 53 HG1 THR 53 5.776 -14.351 -8.251 430 HG21 THR 53 3HG2 THR 53 2.572 -13.034 -7.945 431 HG22 THR 53 1HG2 THR 53 2.609 -12.773 -6.198 432 HG23 THR 53 2HG2 THR 53 2.463 -14.409 -6.843 433 H ASP 54 H ASP 54 3.387 -10.424 -7.784 434 HA ASP 54 HA ASP 54 3.724 -10.491 -10.687 435 HB2 ASP 54 2HB ASP 54 1.803 -8.999 -8.852 436 HB3 ASP 54 3HB ASP 54 1.898 -8.655 -10.580 437 H GLU 55 H GLU 55 5.999 -9.875 -10.342 438 HA GLU 55 HA GLU 55 6.822 -7.333 -9.419 439 HB2 GLU 55 2HB GLU 55 8.304 -9.370 -9.734 440 HB3 GLU 55 3HB GLU 55 8.246 -9.071 -11.469 441 HG2 GLU 55 2HG GLU 55 9.170 -6.706 -10.896 442 HG3 GLU 55 3HG GLU 55 9.542 -7.383 -9.313 443 H ASN 56 H ASN 56 5.453 -8.410 -12.409 444 HA ASN 56 HA ASN 56 6.293 -6.431 -14.201 445 HB2 ASN 56 2HB ASN 56 4.431 -7.156 -15.599 446 HB3 ASN 56 3HB ASN 56 5.154 -8.563 -14.839 447 HD21 ASN 56 1HD2 ASN 56 2.285 -6.784 -15.297 448 HD22 ASN 56 2HD2 ASN 56 1.255 -7.731 -14.287 449 H LEU 57 H LEU 57 3.635 -6.481 -11.855 450 HA LEU 57 HA LEU 57 2.667 -3.838 -12.533 451 HB2 LEU 57 2HB LEU 57 2.011 -5.632 -10.171 452 HB3 LEU 57 3HB LEU 57 1.150 -4.161 -10.598 453 HG LEU 57 HG LEU 57 1.233 -6.715 -12.262 454 HD11 LEU 57 1HD1 LEU 57 -1.130 -6.947 -11.668 455 HD12 LEU 57 2HD1 LEU 57 -1.030 -5.512 -10.642 456 HD13 LEU 57 3HD1 LEU 57 -0.107 -6.960 -10.232 457 HD21 LEU 57 3HD2 LEU 57 1.070 -4.755 -13.717 458 HD22 LEU 57 1HD2 LEU 57 -0.290 -4.136 -12.774 459 HD23 LEU 57 2HD2 LEU 57 -0.454 -5.637 -13.693 460 H ILE 58 H ILE 58 4.944 -5.228 -10.238 461 HA ILE 58 HA ILE 58 5.100 -3.095 -8.360 462 HB ILE 58 HB ILE 58 7.214 -5.185 -9.077 463 HG12 ILE 58 2HG1 ILE 58 5.138 -5.161 -6.837 464 HG13 ILE 58 3HG1 ILE 58 5.118 -6.203 -8.255 465 HG21 ILE 58 1HG2 ILE 58 8.266 -3.287 -7.929 466 HG22 ILE 58 2HG2 ILE 58 8.242 -4.701 -6.879 467 HG23 ILE 58 3HG2 ILE 58 7.082 -3.394 -6.624 468 HD11 ILE 58 3HD1 ILE 58 7.202 -7.270 -7.465 469 HD12 ILE 58 1HD1 ILE 58 5.862 -7.432 -6.330 470 HD13 ILE 58 2HD1 ILE 58 7.140 -6.261 -6.014 471 H ASN 59 H ASN 59 6.903 -3.817 -11.359 472 HA ASN 59 HA ASN 59 8.631 -1.572 -11.319 473 HB2 ASN 59 2HB ASN 59 7.698 -3.392 -13.567 474 HB3 ASN 59 3HB ASN 59 8.750 -2.017 -13.889 475 HD21 ASN 59 1HD2 ASN 59 8.583 -5.238 -12.645 476 HD22 ASN 59 2HD2 ASN 59 10.271 -5.424 -12.338 477 H HIS 60 H HIS 60 5.218 -1.743 -11.986 478 HA HIS 60 HA HIS 60 5.111 0.734 -13.508 479 HB2 HIS 60 2HB HIS 60 2.888 -1.016 -12.349 480 HB3 HIS 60 3HB HIS 60 2.628 0.383 -13.383 481 HD1 HIS 60 HD1 HIS 60 1.459 -2.164 -14.344 482 HD2 HIS 60 HD2 HIS 60 5.363 -1.093 -15.257 483 HE1 HIS 60 HE1 HIS 60 2.052 -3.483 -16.387 484 HE2 HIS 60 HE2 HIS 60 4.386 -2.748 -16.969 485 H SER 61 H SER 61 5.825 0.301 -10.371 486 HA SER 61 HA SER 61 4.971 2.952 -9.596 487 HB2 SER 61 2HB SER 61 2.943 1.717 -8.954 488 HB3 SER 61 3HB SER 61 3.904 0.512 -8.095 489 HG SER 61 HG SER 61 3.586 3.260 -7.437 490 H LYS 62 H LYS 62 6.892 3.712 -8.861 491 HA LYS 62 HA LYS 62 8.939 2.215 -7.635 492 HB2 LYS 62 2HB LYS 62 9.322 4.441 -8.683 493 HB3 LYS 62 3HB LYS 62 8.396 5.205 -7.399 494 HG2 LYS 62 2HG LYS 62 10.819 5.492 -7.045 495 HG3 LYS 62 3HG LYS 62 10.095 4.557 -5.737 496 HD2 LYS 62 2HD LYS 62 12.245 3.598 -6.365 497 HD3 LYS 62 3HD LYS 62 10.952 2.469 -6.772 498 HE2 LYS 62 2HE LYS 62 12.612 2.537 -8.555 499 HE3 LYS 62 3HE LYS 62 11.091 3.201 -9.143 500 HZ1 LYS 62 3HZ LYS 62 12.026 5.434 -8.789 501 HZ2 LYS 62 1HZ LYS 62 12.940 4.523 -9.884 502 HZ3 LYS 62 2HZ LYS 62 13.488 4.743 -8.302 503 H LEU 63 H LEU 63 6.093 3.813 -6.287 504 HA LEU 63 HA LEU 63 6.816 3.777 -3.543 505 HB2 LEU 63 2HB LEU 63 4.907 5.116 -4.448 506 HB3 LEU 63 3HB LEU 63 4.020 3.629 -4.745 507 HG LEU 63 HG LEU 63 4.096 3.163 -2.239 508 HD11 LEU 63 1HD1 LEU 63 6.026 4.513 -1.654 509 HD12 LEU 63 2HD1 LEU 63 4.618 4.993 -0.712 510 HD13 LEU 63 3HD1 LEU 63 5.153 5.992 -2.067 511 HD21 LEU 63 3HD2 LEU 63 2.325 4.733 -1.628 512 HD22 LEU 63 1HD2 LEU 63 2.075 4.094 -3.251 513 HD23 LEU 63 2HD2 LEU 63 2.699 5.732 -3.035 514 H ALA 64 H ALA 64 5.162 1.413 -5.644 515 HA ALA 64 HA ALA 64 4.482 -0.525 -3.713 516 HB1 ALA 64 3HB ALA 64 3.586 -0.526 -6.010 517 HB2 ALA 64 1HB ALA 64 4.319 -2.080 -5.606 518 HB3 ALA 64 2HB ALA 64 5.182 -0.936 -6.643 519 H GLN 65 H GLN 65 7.348 -0.077 -5.746 520 HA GLN 65 HA GLN 65 8.863 -2.304 -5.028 521 HB2 GLN 65 2HB GLN 65 9.869 0.484 -5.768 522 HB3 GLN 65 3HB GLN 65 10.863 -0.974 -5.751 523 HG2 GLN 65 2HG GLN 65 9.532 -1.955 -7.540 524 HG3 GLN 65 3HG GLN 65 8.417 -0.590 -7.500 525 HE21 GLN 65 1HE2 GLN 65 8.748 -0.068 -9.654 526 HE22 GLN 65 2HE2 GLN 65 10.225 0.618 -10.240 527 H GLN 66 H GLN 66 8.647 0.886 -3.431 528 HA GLN 66 HA GLN 66 10.637 0.380 -1.472 529 HB2 GLN 66 2HB GLN 66 8.370 2.416 -1.358 530 HB3 GLN 66 3HB GLN 66 9.817 2.419 -0.354 531 HG2 GLN 66 2HG GLN 66 9.635 2.933 -3.328 532 HG3 GLN 66 3HG GLN 66 10.078 4.080 -2.070 533 HE21 GLN 66 1HE2 GLN 66 11.926 2.269 -0.683 534 HE22 GLN 66 2HE2 GLN 66 13.304 2.106 -1.709 535 H ILE 67 H ILE 67 7.076 -0.105 -1.433 536 HA ILE 67 HA ILE 67 6.859 -0.592 1.375 537 HB ILE 67 HB ILE 67 4.997 -1.400 -0.912 538 HG12 ILE 67 2HG1 ILE 67 4.814 0.953 1.030 539 HG13 ILE 67 3HG1 ILE 67 5.339 1.068 -0.644 540 HG21 ILE 67 1HG2 ILE 67 3.224 -1.689 0.793 541 HG22 ILE 67 2HG2 ILE 67 4.407 -1.402 2.072 542 HG23 ILE 67 3HG2 ILE 67 4.550 -2.829 1.042 543 HD11 ILE 67 3HD1 ILE 67 2.580 0.271 0.294 544 HD12 ILE 67 1HD1 ILE 67 3.113 0.375 -1.388 545 HD13 ILE 67 2HD1 ILE 67 3.060 1.825 -0.387 546 H PHE 68 H PHE 68 7.034 -2.781 -1.453 547 HA PHE 68 HA PHE 68 7.073 -5.232 -0.034 548 HB2 PHE 68 2HB PHE 68 8.067 -4.547 -2.830 549 HB3 PHE 68 3HB PHE 68 8.043 -6.188 -2.192 550 HD1 PHE 68 HD1 PHE 68 5.582 -6.745 -1.032 551 HD2 PHE 68 HD2 PHE 68 6.298 -4.084 -4.304 552 HE1 PHE 68 HE1 PHE 68 3.268 -7.061 -1.807 553 HE2 PHE 68 HE2 PHE 68 3.986 -4.401 -5.059 554 HZ PHE 68 HZ PHE 68 2.473 -5.888 -3.815 555 H LEU 69 H LEU 69 9.654 -2.971 -0.952 556 HA LEU 69 HA LEU 69 11.884 -4.631 -0.367 557 HB2 LEU 69 2HB LEU 69 12.062 -2.593 -1.729 558 HB3 LEU 69 3HB LEU 69 11.579 -1.606 -0.363 559 HG LEU 69 HG LEU 69 13.716 -2.203 0.811 560 HD11 LEU 69 1HD1 LEU 69 14.435 -3.636 -1.760 561 HD12 LEU 69 2HD1 LEU 69 14.141 -4.386 -0.188 562 HD13 LEU 69 3HD1 LEU 69 15.525 -3.320 -0.407 563 HD21 LEU 69 3HD2 LEU 69 14.120 -1.019 -1.956 564 HD22 LEU 69 1HD2 LEU 69 15.202 -0.830 -0.573 565 HD23 LEU 69 2HD2 LEU 69 13.580 -0.140 -0.521 566 H GLN 70 H GLN 70 10.345 -2.007 1.510 567 HA GLN 70 HA GLN 70 11.895 -2.215 3.834 568 HB2 GLN 70 2HB GLN 70 9.102 -1.092 3.380 569 HB3 GLN 70 3HB GLN 70 9.883 -1.028 4.957 570 HG2 GLN 70 2HG GLN 70 11.773 0.249 3.892 571 HG3 GLN 70 3HG GLN 70 10.818 0.316 2.406 572 HE21 GLN 70 1HE2 GLN 70 10.754 2.593 2.530 573 HE22 GLN 70 2HE2 GLN 70 9.718 3.410 3.644 574 H CYS 71 H CYS 71 9.020 -4.033 2.839 575 HA CYS 71 HA CYS 71 9.211 -5.642 5.302 576 HB2 CYS 71 2HB CYS 71 6.620 -4.527 4.173 577 HB3 CYS 71 3HB CYS 71 6.765 -5.621 5.550 578 HG CYS 71 HG CYS 71 8.683 -3.253 6.397 579 HA PRO 72 HA PRO 72 8.812 -8.763 1.952 580 HB2 PRO 72 2HB PRO 72 9.614 -10.906 3.461 581 HB3 PRO 72 3HB PRO 72 10.773 -9.739 2.786 582 HG2 PRO 72 2HG PRO 72 9.643 -9.855 5.576 583 HG3 PRO 72 3HG PRO 72 11.331 -9.631 5.057 584 HD2 PRO 72 2HD PRO 72 9.764 -7.528 5.782 585 HD3 PRO 72 3HD PRO 72 11.018 -7.378 4.531 586 H GLY 73 H GLY 73 7.155 -8.212 4.888 587 HA2 GLY 73 2HA GLY 73 5.393 -10.541 4.783 588 HA3 GLY 73 3HA GLY 73 5.415 -9.280 6.005 589 H VAL 74 H VAL 74 5.432 -8.096 2.791 590 HA VAL 74 HA VAL 74 2.551 -7.468 2.861 591 HB VAL 74 HB VAL 74 4.561 -6.513 0.767 592 HG11 VAL 74 1HG1 VAL 74 2.940 -4.688 0.396 593 HG12 VAL 74 2HG1 VAL 74 1.878 -5.365 1.634 594 HG13 VAL 74 3HG1 VAL 74 2.194 -6.270 0.150 595 HG21 VAL 74 3HG2 VAL 74 3.870 -5.066 3.335 596 HG22 VAL 74 1HG2 VAL 74 4.859 -4.430 2.022 597 HG23 VAL 74 2HG2 VAL 74 5.419 -5.815 2.961 598 H GLU 75 H GLU 75 1.178 -8.709 1.675 599 HA GLU 75 HA GLU 75 2.178 -10.667 -0.238 600 HB2 GLU 75 2HB GLU 75 -0.648 -10.094 0.767 601 HB3 GLU 75 3HB GLU 75 -0.253 -11.354 -0.401 602 HG2 GLU 75 2HG GLU 75 1.305 -12.336 1.355 603 HG3 GLU 75 3HG GLU 75 0.610 -11.196 2.502 604 H SER 76 H SER 76 -0.102 -7.874 -0.287 605 HA SER 76 HA SER 76 0.662 -7.216 -3.000 606 HB2 SER 76 2HB SER 76 -1.573 -7.463 -3.993 607 HB3 SER 76 3HB SER 76 -1.011 -9.014 -3.380 608 HG SER 76 HG SER 76 -2.391 -8.837 -1.669 609 H LEU 77 H LEU 77 -0.723 -5.350 -3.854 610 HA LEU 77 HA LEU 77 -1.610 -3.485 -1.721 611 HB2 LEU 77 2HB LEU 77 -0.063 -2.686 -4.236 612 HB3 LEU 77 3HB LEU 77 -0.486 -1.653 -2.880 613 HG LEU 77 HG LEU 77 1.540 -3.928 -2.762 614 HD11 LEU 77 1HD1 LEU 77 2.321 -2.110 -4.199 615 HD12 LEU 77 2HD1 LEU 77 3.252 -2.201 -2.709 616 HD13 LEU 77 3HD1 LEU 77 2.031 -0.938 -2.905 617 HD21 LEU 77 3HD2 LEU 77 0.931 -1.768 -0.728 618 HD22 LEU 77 1HD2 LEU 77 2.205 -2.985 -0.618 619 HD23 LEU 77 2HD2 LEU 77 0.514 -3.479 -0.583 620 H MET 78 H MET 78 -3.686 -2.742 -2.223 621 HA MET 78 HA MET 78 -4.723 -3.166 -4.965 622 HB2 MET 78 2HB MET 78 -6.061 -4.258 -3.226 623 HB3 MET 78 3HB MET 78 -6.217 -2.747 -2.340 624 HG2 MET 78 2HG MET 78 -7.610 -1.801 -4.086 625 HG3 MET 78 3HG MET 78 -7.315 -3.187 -5.133 626 HE1 MET 78 3HE MET 78 -7.644 -5.730 -3.380 627 HE2 MET 78 1HE MET 78 -8.537 -5.521 -4.891 628 HE3 MET 78 2HE MET 78 -9.386 -6.011 -3.429 629 H ILE 79 H ILE 79 -4.575 -1.408 -6.224 630 HA ILE 79 HA ILE 79 -4.317 1.265 -5.076 631 HB ILE 79 HB ILE 79 -4.251 0.476 -8.031 632 HG12 ILE 79 2HG1 ILE 79 -2.412 -0.682 -6.734 633 HG13 ILE 79 3HG1 ILE 79 -1.817 0.433 -7.954 634 HG21 ILE 79 1HG2 ILE 79 -3.353 3.026 -6.606 635 HG22 ILE 79 2HG2 ILE 79 -4.720 2.849 -7.713 636 HG23 ILE 79 3HG2 ILE 79 -3.075 2.670 -8.316 637 HD11 ILE 79 3HD1 ILE 79 -0.516 0.509 -5.913 638 HD12 ILE 79 1HD1 ILE 79 -1.945 0.979 -4.998 639 HD13 ILE 79 2HD1 ILE 79 -1.288 2.062 -6.229 640 H GLY 80 H GLY 80 -6.316 1.907 -4.401 641 HA2 GLY 80 2HA GLY 80 -8.677 1.682 -6.143 642 HA3 GLY 80 3HA GLY 80 -8.640 2.267 -4.479 643 H ASP 81 H ASP 81 -10.069 3.775 -6.030 644 HA ASP 81 HA ASP 81 -9.039 5.639 -7.784 645 HB2 ASP 81 2HB ASP 81 -11.275 6.144 -5.764 646 HB3 ASP 81 3HB ASP 81 -11.016 7.035 -7.256 647 H ASP 82 H ASP 82 -9.679 6.180 -4.372 648 HA ASP 82 HA ASP 82 -7.646 8.313 -4.208 649 HB2 ASP 82 2HB ASP 82 -9.256 9.496 -2.693 650 HB3 ASP 82 3HB ASP 82 -9.881 9.307 -4.327 651 H PHE 83 H PHE 83 -7.658 5.361 -3.489 652 HA PHE 83 HA PHE 83 -6.747 5.573 -0.723 653 HB2 PHE 83 2HB PHE 83 -8.174 3.729 0.100 654 HB3 PHE 83 3HB PHE 83 -9.138 5.103 -0.407 655 HD1 PHE 83 HD2 PHE 83 -10.392 4.979 -2.637 656 HD2 PHE 83 HD1 PHE 83 -8.537 1.548 -0.856 657 HE1 PHE 83 HE2 PHE 83 -11.808 3.496 -4.002 658 HE2 PHE 83 HE1 PHE 83 -9.957 0.082 -2.220 659 HZ PHE 83 HZ PHE 83 -11.595 1.046 -3.790 660 H LEU 84 H LEU 84 -5.511 3.786 -0.048 661 HA LEU 84 HA LEU 84 -4.700 1.799 -2.067 662 HB2 LEU 84 2HB LEU 84 -2.962 3.507 -2.044 663 HB3 LEU 84 3HB LEU 84 -2.883 3.495 -0.291 664 HG LEU 84 HG LEU 84 -1.848 1.255 -0.311 665 HD11 LEU 84 1HD1 LEU 84 -2.963 0.278 -2.246 666 HD12 LEU 84 2HD1 LEU 84 -1.214 0.118 -2.379 667 HD13 LEU 84 3HD1 LEU 84 -2.059 1.346 -3.326 668 HD21 LEU 84 3HD2 LEU 84 -0.456 3.132 -2.243 669 HD22 LEU 84 1HD2 LEU 84 0.305 1.818 -1.340 670 HD23 LEU 84 2HD2 LEU 84 -0.369 3.202 -0.482 671 H THR 85 H THR 85 -5.275 -0.086 -1.269 672 HA THR 85 HA THR 85 -5.547 -0.502 1.641 673 HB THR 85 HB THR 85 -6.730 -2.114 -0.673 674 HG1 THR 85 HG1 THR 85 -7.437 0.225 -0.029 675 HG21 THR 85 3HG2 THR 85 -7.334 -2.208 2.319 676 HG22 THR 85 1HG2 THR 85 -6.503 -3.474 1.393 677 HG23 THR 85 2HG2 THR 85 -8.199 -3.109 1.076 678 H ILE 86 H ILE 86 -3.770 -1.424 2.484 679 HA ILE 86 HA ILE 86 -1.897 -2.929 0.820 680 HB ILE 86 HB ILE 86 -1.681 -2.331 3.807 681 HG12 ILE 86 2HG1 ILE 86 -1.932 -0.199 2.518 682 HG13 ILE 86 3HG1 ILE 86 -0.367 -0.338 3.303 683 HG21 ILE 86 1HG2 ILE 86 0.757 -2.647 3.462 684 HG22 ILE 86 2HG2 ILE 86 0.459 -3.053 1.770 685 HG23 ILE 86 3HG2 ILE 86 -0.163 -4.097 3.049 686 HD11 ILE 86 3HD1 ILE 86 -0.170 0.627 1.116 687 HD12 ILE 86 1HD1 ILE 86 -0.941 -0.777 0.383 688 HD13 ILE 86 2HD1 ILE 86 0.641 -0.938 1.155 689 H ASN 87 H ASN 87 -1.755 -5.112 0.860 690 HA ASN 87 HA ASN 87 -3.357 -6.685 2.794 691 HB2 ASN 87 2HB ASN 87 -2.450 -7.511 -0.008 692 HB3 ASN 87 3HB ASN 87 -3.470 -8.451 1.079 693 HD21 ASN 87 1HD2 ASN 87 -3.358 -5.734 -1.116 694 HD22 ASN 87 2HD2 ASN 87 -5.065 -5.476 -1.197 695 H LYS 88 H LYS 88 -2.214 -7.868 4.154 696 HA LYS 88 HA LYS 88 0.600 -8.636 3.610 697 HB2 LYS 88 2HB LYS 88 -0.552 -7.519 6.209 698 HB3 LYS 88 3HB LYS 88 1.061 -8.216 6.044 699 HG2 LYS 88 2HG LYS 88 1.642 -6.445 4.409 700 HG3 LYS 88 3HG LYS 88 0.038 -5.730 4.645 701 HD2 LYS 88 2HD LYS 88 0.567 -5.430 7.068 702 HD3 LYS 88 3HD LYS 88 2.190 -6.072 6.771 703 HE2 LYS 88 2HE LYS 88 1.020 -3.591 5.479 704 HE3 LYS 88 3HE LYS 88 2.149 -3.600 6.831 705 HZ1 LYS 88 3HZ LYS 88 2.679 -4.635 4.107 706 HZ2 LYS 88 1HZ LYS 88 3.773 -4.678 5.397 707 HZ3 LYS 88 2HZ LYS 88 3.272 -3.193 4.760 708 H ASP 89 H ASP 89 1.285 -10.346 5.307 709 HA ASP 89 HA ASP 89 -0.513 -12.530 5.453 710 HB2 ASP 89 2HB ASP 89 1.829 -13.033 5.652 711 HB3 ASP 89 3HB ASP 89 2.040 -11.910 6.994 712 H ARG 90 H ARG 90 -1.883 -13.233 7.037 713 HA ARG 90 HA ARG 90 -3.302 -11.298 8.465 714 HB2 ARG 90 2HB ARG 90 -4.680 -13.142 9.310 715 HB3 ARG 90 3HB ARG 90 -4.338 -13.345 7.595 716 HG2 ARG 90 2HG ARG 90 -2.666 -15.057 8.086 717 HG3 ARG 90 3HG ARG 90 -2.880 -14.811 9.821 718 HD2 ARG 90 2HD ARG 90 -4.941 -15.902 7.870 719 HD3 ARG 90 3HD ARG 90 -4.085 -16.801 9.130 720 HE ARG 90 HE ARG 90 -5.868 -14.554 9.828 721 HH11 ARG 90 1HH1 ARG 90 -5.129 -17.990 10.153 722 HH12 ARG 90 2HH1 ARG 90 -6.308 -18.227 11.400 723 HH21 ARG 90 1HH2 ARG 90 -7.382 -14.882 11.431 724 HH22 ARG 90 2HH2 ARG 90 -7.584 -16.462 12.131 725 H MET 91 H MET 91 -0.618 -13.312 9.497 726 HA MET 91 HA MET 91 -1.122 -12.878 12.344 727 HB2 MET 91 2HB MET 91 1.103 -14.393 10.914 728 HB3 MET 91 3HB MET 91 0.963 -14.258 12.667 729 HG2 MET 91 2HG MET 91 -1.084 -15.537 10.837 730 HG3 MET 91 3HG MET 91 0.070 -16.395 11.860 731 HE1 MET 91 3HE MET 91 -3.218 -16.759 11.858 732 HE2 MET 91 1HE MET 91 -3.508 -16.925 13.584 733 HE3 MET 91 2HE MET 91 -2.142 -17.761 12.836 734 H VAL 92 H VAL 92 0.601 -11.334 9.812 735 HA VAL 92 HA VAL 92 2.512 -9.900 11.459 736 HB VAL 92 HB VAL 92 1.501 -9.362 8.611 737 HG11 VAL 92 1HG1 VAL 92 2.275 -7.246 9.622 738 HG12 VAL 92 2HG1 VAL 92 3.388 -7.782 8.362 739 HG13 VAL 92 3HG1 VAL 92 3.807 -8.005 10.062 740 HG21 VAL 92 3HG2 VAL 92 2.802 -11.439 8.790 741 HG22 VAL 92 1HG2 VAL 92 4.120 -10.562 9.574 742 HG23 VAL 92 2HG2 VAL 92 3.707 -10.216 7.893 743 H HIS 93 H HIS 93 2.161 -7.913 12.452 744 HA HIS 93 HA HIS 93 -0.633 -6.927 12.476 745 HB2 HIS 93 2HB HIS 93 1.531 -6.725 14.615 746 HB3 HIS 93 3HB HIS 93 -0.040 -5.935 14.720 747 HD1 HIS 93 HD1 HIS 93 0.688 -7.890 16.913 748 HD2 HIS 93 HD2 HIS 93 -1.280 -9.032 13.432 749 HE1 HIS 93 HE1 HIS 93 -0.531 -10.018 17.481 750 HE2 HIS 93 HE2 HIS 93 -1.775 -10.627 15.386 751 H TRP 94 H TRP 94 -1.014 -4.709 12.505 752 HA TRP 94 HA TRP 94 0.594 -3.300 10.589 753 HB2 TRP 94 2HB TRP 94 -1.988 -2.506 12.003 754 HB3 TRP 94 3HB TRP 94 -1.267 -1.634 10.643 755 HD1 TRP 94 HD1 TRP 94 -3.312 -4.769 11.434 756 HE1 TRP 94 HE1 TRP 94 -4.018 -5.896 9.232 757 HE3 TRP 94 HE3 TRP 94 -0.561 -1.953 8.176 758 HZ2 TRP 94 HZ2 TRP 94 -3.473 -5.627 6.475 759 HZ3 TRP 94 HZ3 TRP 94 -0.692 -2.464 5.783 760 HH2 TRP 94 HH2 TRP 94 -2.132 -4.250 4.946 761 H ASN 95 H ASN 95 0.424 -3.287 14.030 762 HA ASN 95 HA ASN 95 0.972 -0.616 14.661 763 HB2 ASN 95 2HB ASN 95 0.335 -2.380 16.320 764 HB3 ASN 95 3HB ASN 95 1.934 -3.088 16.165 765 HD21 ASN 95 1HD2 ASN 95 1.119 0.380 16.368 766 HD22 ASN 95 2HD2 ASN 95 1.918 0.646 17.876 767 H SER 96 H SER 96 3.104 -3.091 13.411 768 HA SER 96 HA SER 96 5.565 -1.635 13.910 769 HB2 SER 96 2HB SER 96 5.033 -4.104 12.210 770 HB3 SER 96 3HB SER 96 6.632 -3.467 12.609 771 HG SER 96 HG SER 96 5.031 -3.854 14.801 772 H ILE 97 H ILE 97 3.558 -2.359 11.018 773 HA ILE 97 HA ILE 97 5.566 -1.047 9.303 774 HB ILE 97 HB ILE 97 3.152 -2.655 8.376 775 HG12 ILE 97 2HG1 ILE 97 6.007 -3.647 8.843 776 HG13 ILE 97 3HG1 ILE 97 4.616 -4.063 9.835 777 HG21 ILE 97 1HG2 ILE 97 4.092 -1.223 6.631 778 HG22 ILE 97 2HG2 ILE 97 4.477 -2.906 6.273 779 HG23 ILE 97 3HG2 ILE 97 5.710 -1.841 6.950 780 HD11 ILE 97 3HD1 ILE 97 5.120 -5.890 8.373 781 HD12 ILE 97 1HD1 ILE 97 5.069 -4.843 6.952 782 HD13 ILE 97 2HD1 ILE 97 3.592 -5.165 7.863 783 H LYS 98 H LYS 98 2.190 -0.613 10.240 784 HA LYS 98 HA LYS 98 1.191 1.020 8.275 785 HB2 LYS 98 2HB LYS 98 -0.272 0.159 9.955 786 HB3 LYS 98 3HB LYS 98 0.613 0.974 11.235 787 HG2 LYS 98 2HG LYS 98 -0.163 3.176 10.272 788 HG3 LYS 98 3HG LYS 98 -1.174 2.251 9.160 789 HD2 LYS 98 2HD LYS 98 -2.466 3.022 11.124 790 HD3 LYS 98 3HD LYS 98 -2.401 1.260 11.041 791 HE2 LYS 98 2HE LYS 98 -0.542 1.302 12.737 792 HE3 LYS 98 3HE LYS 98 -0.735 3.051 12.850 793 HZ1 LYS 98 3HZ LYS 98 -2.790 1.020 13.534 794 HZ2 LYS 98 1HZ LYS 98 -3.014 2.692 13.613 795 HZ3 LYS 98 2HZ LYS 98 -1.898 1.939 14.632 796 HA PRO 99 HA PRO 99 2.999 5.101 10.530 797 HB2 PRO 99 2HB PRO 99 5.539 4.602 11.653 798 HB3 PRO 99 3HB PRO 99 4.033 4.786 12.579 799 HG2 PRO 99 2HG PRO 99 5.382 2.257 11.669 800 HG3 PRO 99 3HG PRO 99 4.659 2.638 13.252 801 HD2 PRO 99 2HD PRO 99 3.313 1.134 11.522 802 HD3 PRO 99 3HD PRO 99 2.448 2.377 12.449 803 H GLU 100 H GLU 100 5.083 2.522 9.214 804 HA GLU 100 HA GLU 100 6.818 4.250 7.724 805 HB2 GLU 100 2HB GLU 100 6.357 1.303 7.165 806 HB3 GLU 100 3HB GLU 100 7.807 2.249 6.841 807 HG2 GLU 100 2HG GLU 100 6.756 1.363 9.547 808 HG3 GLU 100 3HG GLU 100 8.195 0.770 8.724 809 H ILE 101 H ILE 101 3.837 2.489 7.013 810 HA ILE 101 HA ILE 101 3.790 2.854 4.186 811 HB ILE 101 HB ILE 101 1.482 2.348 6.131 812 HG12 ILE 101 2HG1 ILE 101 2.982 0.369 4.354 813 HG13 ILE 101 3HG1 ILE 101 3.241 0.553 6.085 814 HG21 ILE 101 1HG2 ILE 101 1.509 2.096 3.099 815 HG22 ILE 101 2HG2 ILE 101 0.620 3.300 4.032 816 HG23 ILE 101 3HG2 ILE 101 0.183 1.596 4.150 817 HD11 ILE 101 3HD1 ILE 101 0.935 -0.158 6.500 818 HD12 ILE 101 1HD1 ILE 101 1.865 -1.367 5.618 819 HD13 ILE 101 2HD1 ILE 101 0.693 -0.368 4.763 820 H ILE 102 H ILE 102 2.193 4.564 6.893 821 HA ILE 102 HA ILE 102 0.894 6.595 5.461 822 HB ILE 102 HB ILE 102 1.992 6.636 8.312 823 HG12 ILE 102 2HG1 ILE 102 -0.847 6.119 7.307 824 HG13 ILE 102 3HG1 ILE 102 0.270 4.870 7.842 825 HG21 ILE 102 1HG2 ILE 102 -0.003 8.554 7.054 826 HG22 ILE 102 2HG2 ILE 102 1.649 8.952 7.534 827 HG23 ILE 102 3HG2 ILE 102 0.455 8.519 8.758 828 HD11 ILE 102 3HD1 ILE 102 -0.907 7.064 9.551 829 HD12 ILE 102 1HD1 ILE 102 0.270 5.863 10.095 830 HD13 ILE 102 2HD1 ILE 102 -1.331 5.351 9.569 831 H ASP 103 H ASP 103 4.202 6.362 6.714 832 HA ASP 103 HA ASP 103 5.134 8.964 6.153 833 HB2 ASP 103 2HB ASP 103 6.346 7.348 7.608 834 HB3 ASP 103 3HB ASP 103 6.680 6.329 6.214 835 H LEU 104 H LEU 104 5.377 5.952 4.235 836 HA LEU 104 HA LEU 104 6.677 7.007 1.968 837 HB2 LEU 104 2HB LEU 104 4.968 4.539 2.402 838 HB3 LEU 104 3HB LEU 104 5.687 4.883 0.838 839 HG LEU 104 HG LEU 104 7.262 4.448 3.408 840 HD11 LEU 104 1HD1 LEU 104 6.864 2.569 1.058 841 HD12 LEU 104 2HD1 LEU 104 6.162 2.384 2.669 842 HD13 LEU 104 3HD1 LEU 104 7.909 2.290 2.456 843 HD21 LEU 104 3HD2 LEU 104 9.232 4.368 1.951 844 HD22 LEU 104 1HD2 LEU 104 8.428 5.933 1.844 845 HD23 LEU 104 2HD2 LEU 104 8.232 4.751 0.546 846 H LEU 105 H LEU 105 3.246 6.621 2.709 847 HA LEU 105 HA LEU 105 2.252 7.464 0.175 848 HB2 LEU 105 2HB LEU 105 1.018 6.926 2.868 849 HB3 LEU 105 3HB LEU 105 0.084 7.866 1.720 850 HG LEU 105 HG LEU 105 0.057 6.019 0.118 851 HD11 LEU 105 1HD1 LEU 105 1.751 4.439 2.059 852 HD12 LEU 105 2HD1 LEU 105 2.261 5.054 0.486 853 HD13 LEU 105 3HD1 LEU 105 1.010 3.818 0.581 854 HD21 LEU 105 3HD2 LEU 105 -1.293 4.404 1.364 855 HD22 LEU 105 1HD2 LEU 105 -1.676 6.056 1.850 856 HD23 LEU 105 2HD2 LEU 105 -0.674 5.042 2.891 857 H THR 106 H THR 106 3.279 9.178 3.081 858 HA THR 106 HA THR 106 2.131 11.717 2.414 859 HB THR 106 HB THR 106 4.473 10.986 4.227 860 HG1 THR 106 HG1 THR 106 2.077 10.427 4.630 861 HG21 THR 106 3HG2 THR 106 4.662 13.369 3.528 862 HG22 THR 106 1HG2 THR 106 4.250 13.226 5.242 863 HG23 THR 106 2HG2 THR 106 3.006 13.648 4.065 864 H LYS 107 H LYS 107 5.177 10.005 1.702 865 HA LYS 107 HA LYS 107 6.547 12.182 0.452 866 HB2 LYS 107 2HB LYS 107 6.982 9.183 0.020 867 HB3 LYS 107 3HB LYS 107 8.104 10.464 -0.433 868 HG2 LYS 107 2HG LYS 107 7.316 9.656 2.384 869 HG3 LYS 107 3HG LYS 107 8.869 9.366 1.598 870 HD2 LYS 107 2HD LYS 107 9.307 11.797 1.535 871 HD3 LYS 107 3HD LYS 107 7.727 12.115 2.262 872 HE2 LYS 107 2HE LYS 107 10.015 10.601 3.581 873 HE3 LYS 107 3HE LYS 107 9.519 12.254 3.944 874 HZ1 LYS 107 3HZ LYS 107 7.396 11.431 4.717 875 HZ2 LYS 107 1HZ LYS 107 8.651 10.657 5.549 876 HZ3 LYS 107 2HZ LYS 107 7.821 9.842 4.324 877 H GLN 108 H GLN 108 4.565 9.506 -0.755 878 HA GLN 108 HA GLN 108 4.827 9.844 -3.519 879 HB2 GLN 108 2HB GLN 108 3.859 7.820 -2.499 880 HB3 GLN 108 3HB GLN 108 2.497 8.746 -1.885 881 HG2 GLN 108 2HG GLN 108 1.884 7.378 -3.850 882 HG3 GLN 108 3HG GLN 108 1.653 9.098 -4.153 883 HE21 GLN 108 1HE2 GLN 108 2.914 10.111 -5.705 884 HE22 GLN 108 2HE2 GLN 108 3.926 9.247 -6.804 885 H LEU 109 H LEU 109 2.388 11.159 -1.277 886 HA LEU 109 HA LEU 109 1.045 12.681 -3.320 887 HB2 LEU 109 2HB LEU 109 0.738 13.004 -0.318 888 HB3 LEU 109 3HB LEU 109 -0.381 13.541 -1.557 889 HG LEU 109 HG LEU 109 0.135 10.710 -0.592 890 HD11 LEU 109 1HD1 LEU 109 -2.288 10.677 -0.197 891 HD12 LEU 109 2HD1 LEU 109 -2.394 12.356 -0.738 892 HD13 LEU 109 3HD1 LEU 109 -1.470 11.946 0.709 893 HD21 LEU 109 3HD2 LEU 109 0.071 10.573 -3.034 894 HD22 LEU 109 1HD2 LEU 109 -1.482 11.416 -3.044 895 HD23 LEU 109 2HD2 LEU 109 -1.342 9.822 -2.299 896 H ALA 110 H ALA 110 3.714 13.301 -1.105 897 HA ALA 110 HA ALA 110 3.685 16.175 -1.288 898 HB1 ALA 110 3HB ALA 110 5.889 16.108 -0.209 899 HB2 ALA 110 1HB ALA 110 5.979 14.357 -0.462 900 HB3 ALA 110 2HB ALA 110 4.756 15.035 0.613 901 H TYR 111 H TYR 111 4.988 13.623 -3.301 902 HA TYR 111 HA TYR 111 6.654 15.257 -4.954 903 HB2 TYR 111 2HB TYR 111 5.150 12.703 -5.691 904 HB3 TYR 111 3HB TYR 111 6.454 13.422 -6.629 905 HD1 TYR 111 HD2 TYR 111 8.353 14.076 -4.298 906 HD2 TYR 111 HD1 TYR 111 6.107 10.548 -5.219 907 HE1 TYR 111 HE2 TYR 111 9.977 12.712 -3.061 908 HE2 TYR 111 HE1 TYR 111 7.741 9.189 -3.978 909 HH TYR 111 HH TYR 111 10.066 9.309 -3.212 910 H GLY 112 H GLY 112 3.236 14.882 -4.625 911 HA2 GLY 112 2HA GLY 112 1.435 15.857 -5.647 912 HA3 GLY 112 3HA GLY 112 2.546 16.887 -6.548 913 H GLU 113 H GLU 113 2.333 13.346 -6.429 914 HA GLU 113 HA GLU 113 1.703 13.195 -9.302 915 HB2 GLU 113 2HB GLU 113 4.053 11.789 -7.952 916 HB3 GLU 113 3HB GLU 113 3.494 11.462 -9.593 917 HG2 GLU 113 2HG GLU 113 3.994 13.866 -10.165 918 HG3 GLU 113 3HG GLU 113 4.705 14.046 -8.561 919 H ASP 114 H ASP 114 1.086 11.105 -10.020 920 HA ASP 114 HA ASP 114 -0.669 9.664 -8.240 921 HB2 ASP 114 2HB ASP 114 0.077 9.020 -11.139 922 HB3 ASP 114 3HB ASP 114 -1.343 8.454 -10.266 923 H VAL 115 H VAL 115 -0.495 7.398 -7.793 924 HA VAL 115 HA VAL 115 2.193 6.441 -7.326 925 HB VAL 115 HB VAL 115 0.437 6.014 -5.650 926 HG11 VAL 115 1HG1 VAL 115 -1.375 4.398 -5.990 927 HG12 VAL 115 2HG1 VAL 115 -0.894 4.198 -7.677 928 HG13 VAL 115 3HG1 VAL 115 -1.509 5.754 -7.115 929 HG21 VAL 115 3HG2 VAL 115 1.477 3.407 -6.827 930 HG22 VAL 115 1HG2 VAL 115 0.867 3.624 -5.181 931 HG23 VAL 115 2HG2 VAL 115 2.336 4.454 -5.696 932 H ILE 116 H ILE 116 -0.433 5.661 -9.561 933 HA ILE 116 HA ILE 116 1.310 3.822 -11.105 934 HB ILE 116 HB ILE 116 -1.750 3.964 -11.016 935 HG12 ILE 116 2HG1 ILE 116 -0.799 2.995 -8.926 936 HG13 ILE 116 3HG1 ILE 116 -1.704 1.798 -9.844 937 HG21 ILE 116 1HG2 ILE 116 0.013 1.957 -12.471 938 HG22 ILE 116 2HG2 ILE 116 -0.966 3.219 -13.221 939 HG23 ILE 116 3HG2 ILE 116 -1.750 1.896 -12.359 940 HD11 ILE 116 3HD1 ILE 116 0.306 0.865 -8.897 941 HD12 ILE 116 1HD1 ILE 116 1.299 2.053 -9.733 942 HD13 ILE 116 2HD1 ILE 116 0.403 0.840 -10.657 943 H SER 117 H SER 117 1.348 4.127 -13.408 944 HA SER 117 HA SER 117 0.694 6.822 -14.356 945 HB2 SER 117 2HB SER 117 2.924 5.854 -14.883 946 HB3 SER 117 3HB SER 117 2.152 4.519 -15.737 947 HG SER 117 HG SER 117 2.928 6.365 -17.025 948 H LYS 118 H LYS 118 -0.215 6.899 -16.666 949 HA LYS 118 HA LYS 118 -2.734 5.505 -16.877 950 HB2 LYS 118 2HB LYS 118 -2.989 6.747 -19.012 951 HB3 LYS 118 3HB LYS 118 -2.550 7.813 -17.680 952 HG2 LYS 118 2HG LYS 118 -0.265 7.962 -18.450 953 HG3 LYS 118 3HG LYS 118 -0.532 6.728 -19.679 954 HD2 LYS 118 2HD LYS 118 -2.028 9.375 -19.682 955 HD3 LYS 118 3HD LYS 118 -0.457 9.176 -20.454 956 HE2 LYS 118 2HE LYS 118 -2.143 8.943 -22.148 957 HE3 LYS 118 3HE LYS 118 -1.446 7.353 -21.874 958 HZ1 LYS 118 3HZ LYS 118 -3.383 6.741 -20.595 959 HZ2 LYS 118 1HZ LYS 118 -3.868 7.318 -22.108 960 HZ3 LYS 118 2HZ LYS 118 -4.026 8.298 -20.742 961 H GLU 119 H GLU 119 0.458 4.836 -17.815 962 HA GLU 119 HA GLU 119 0.056 3.320 -20.191 963 HB2 GLU 119 2HB GLU 119 2.197 4.472 -19.524 964 HB3 GLU 119 3HB GLU 119 2.400 3.283 -18.245 965 HG2 GLU 119 2HG GLU 119 3.818 2.680 -20.107 966 HG3 GLU 119 3HG GLU 119 2.525 1.486 -19.967 Start of MODEL 16 1 H1 MET 1 1H MET 1 32.278 5.859 36.844 2 H2 MET 1 2H MET 1 33.381 5.776 35.565 3 H3 MET 1 3H MET 1 32.406 4.448 35.923 4 HA MET 1 HA MET 1 30.440 5.649 35.325 5 HB2 MET 1 2HB MET 1 32.372 7.907 34.607 6 HB3 MET 1 3HB MET 1 30.651 7.895 34.219 7 HG2 MET 1 2HG MET 1 31.010 9.275 36.169 8 HG3 MET 1 3HG MET 1 30.136 7.820 36.656 9 HE1 MET 1 3HE MET 1 32.290 8.390 39.864 10 HE2 MET 1 1HE MET 1 30.685 8.005 39.240 11 HE3 MET 1 2HE MET 1 31.412 9.579 38.904 12 H GLY 2 H GLY 2 29.785 4.651 33.502 13 HA2 GLY 2 2HA GLY 2 31.574 4.464 31.140 14 HA3 GLY 2 3HA GLY 2 30.858 3.013 31.833 15 H HIS 3 H HIS 3 29.487 6.230 31.366 16 HA HIS 3 HA HIS 3 27.835 5.476 29.095 17 HB2 HIS 3 2HB HIS 3 26.497 4.628 31.046 18 HB3 HIS 3 3HB HIS 3 26.525 6.228 31.770 19 HD1 HIS 3 HD1 HIS 3 25.002 8.052 30.654 20 HD2 HIS 3 HD2 HIS 3 24.591 4.264 29.019 21 HE1 HIS 3 HE1 HIS 3 22.928 8.149 29.257 22 HE2 HIS 3 HE2 HIS 3 22.676 5.829 28.310 23 H HIS 4 H HIS 4 26.835 7.392 28.151 24 HA HIS 4 HA HIS 4 27.428 10.024 29.272 25 HB2 HIS 4 2HB HIS 4 28.656 10.825 27.305 26 HB3 HIS 4 3HB HIS 4 29.499 9.436 27.975 27 HD1 HIS 4 HD1 HIS 4 27.630 10.577 24.941 28 HD2 HIS 4 HD2 HIS 4 29.510 7.136 26.311 29 HE1 HIS 4 HE1 HIS 4 27.813 9.065 22.945 30 HE2 HIS 4 HE2 HIS 4 28.981 7.002 23.797 31 H HIS 5 H HIS 5 26.493 11.769 27.725 32 HA HIS 5 HA HIS 5 24.300 10.874 26.033 33 HB2 HIS 5 2HB HIS 5 22.534 12.068 27.285 34 HB3 HIS 5 3HB HIS 5 23.252 10.803 28.272 35 HD1 HIS 5 HD1 HIS 5 24.376 11.516 30.462 36 HD2 HIS 5 HD2 HIS 5 23.113 14.738 28.163 37 HE1 HIS 5 HE1 HIS 5 24.558 13.527 31.947 38 HE2 HIS 5 HE2 HIS 5 23.598 15.419 30.598 39 H HIS 6 H HIS 6 23.899 12.284 24.437 40 HA HIS 6 HA HIS 6 24.905 15.077 24.600 41 HB2 HIS 6 2HB HIS 6 24.710 13.201 22.197 42 HB3 HIS 6 3HB HIS 6 24.890 14.940 22.014 43 HD1 HIS 6 HD1 HIS 6 26.933 12.268 21.543 44 HD2 HIS 6 HD2 HIS 6 27.316 15.599 23.993 45 HE1 HIS 6 HE1 HIS 6 29.396 12.555 21.910 46 HE2 HIS 6 HE2 HIS 6 29.602 14.646 23.300 47 H HIS 7 H HIS 7 23.639 16.501 23.019 48 HA HIS 7 HA HIS 7 20.748 15.955 23.092 49 HB2 HIS 7 2HB HIS 7 20.365 18.296 23.990 50 HB3 HIS 7 3HB HIS 7 21.090 17.181 25.136 51 HD1 HIS 7 HD1 HIS 7 21.460 20.524 23.893 52 HD2 HIS 7 HD2 HIS 7 24.062 17.622 25.307 53 HE1 HIS 7 HE1 HIS 7 23.553 21.743 24.504 54 HE2 HIS 7 HE2 HIS 7 25.094 19.969 25.415 55 H HIS 8 H HIS 8 20.364 15.898 20.977 56 HA HIS 8 HA HIS 8 21.343 18.048 19.192 57 HB2 HIS 8 2HB HIS 8 20.184 15.295 18.563 58 HB3 HIS 8 3HB HIS 8 20.541 16.508 17.339 59 HD1 HIS 8 HD1 HIS 8 22.784 16.321 16.301 60 HD2 HIS 8 HD2 HIS 8 22.670 14.533 20.050 61 HE1 HIS 8 HE1 HIS 8 25.025 15.228 16.602 62 HE2 HIS 8 HE2 HIS 8 24.897 14.103 18.847 63 H SER 9 H SER 9 19.928 19.699 19.409 64 HA SER 9 HA SER 9 17.027 19.253 19.270 65 HB2 SER 9 2HB SER 9 18.006 20.961 20.846 66 HB3 SER 9 3HB SER 9 18.595 21.863 19.455 67 HG SER 9 HG SER 9 15.934 21.400 20.265 68 H HIS 10 H HIS 10 17.679 18.176 17.111 69 HA HIS 10 HA HIS 10 18.400 19.873 14.896 70 HB2 HIS 10 2HB HIS 10 19.121 17.490 14.997 71 HB3 HIS 10 3HB HIS 10 17.443 16.973 14.889 72 HD1 HIS 10 HD1 HIS 10 16.227 17.411 12.573 73 HD2 HIS 10 HD2 HIS 10 20.322 18.079 12.562 74 HE1 HIS 10 HE1 HIS 10 16.880 17.527 10.157 75 HE2 HIS 10 HE2 HIS 10 19.389 17.722 10.188 76 H MET 11 H MET 11 16.838 21.416 14.668 77 HA MET 11 HA MET 11 14.024 20.913 14.514 78 HB2 MET 11 2HB MET 11 14.888 23.111 15.211 79 HB3 MET 11 3HB MET 11 15.661 23.334 13.648 80 HG2 MET 11 2HG MET 11 13.436 23.383 12.564 81 HG3 MET 11 3HG MET 11 12.671 23.183 14.143 82 HE1 MET 11 3HE MET 11 11.217 25.434 13.538 83 HE2 MET 11 1HE MET 11 12.092 25.594 12.008 84 HE3 MET 11 2HE MET 11 11.984 26.961 13.117 85 H ASN 12 H ASN 12 13.777 19.269 12.974 86 HA ASN 12 HA ASN 12 14.245 19.908 10.128 87 HB2 ASN 12 2HB ASN 12 13.404 17.632 9.665 88 HB3 ASN 12 3HB ASN 12 14.706 17.578 10.844 89 HD21 ASN 12 1HD2 ASN 12 12.445 15.717 10.227 90 HD22 ASN 12 2HD2 ASN 12 11.663 15.444 11.745 91 H SER 13 H SER 13 12.481 20.088 8.640 92 HA SER 13 HA SER 13 9.776 20.440 9.726 93 HB2 SER 13 2HB SER 13 10.838 22.683 9.916 94 HB3 SER 13 3HB SER 13 11.245 22.650 8.199 95 HG SER 13 HG SER 13 8.572 22.253 8.943 96 H GLN 14 H GLN 14 8.724 19.040 8.514 97 HA GLN 14 HA GLN 14 8.583 19.413 5.618 98 HB2 GLN 14 2HB GLN 14 8.762 17.037 5.100 99 HB3 GLN 14 3HB GLN 14 10.222 17.543 5.929 100 HG2 GLN 14 2HG GLN 14 7.936 16.022 7.228 101 HG3 GLN 14 3HG GLN 14 9.391 15.277 6.587 102 HE21 GLN 14 1HE2 GLN 14 8.039 17.160 9.191 103 HE22 GLN 14 2HE2 GLN 14 9.400 17.040 10.253 104 H ARG 15 H ARG 15 6.530 18.666 4.767 105 HA ARG 15 HA ARG 15 4.413 18.956 6.746 106 HB2 ARG 15 2HB ARG 15 4.427 20.262 4.576 107 HB3 ARG 15 3HB ARG 15 4.145 18.750 3.715 108 HG2 ARG 15 2HG ARG 15 2.001 18.463 4.916 109 HG3 ARG 15 3HG ARG 15 2.292 19.961 5.804 110 HD2 ARG 15 2HD ARG 15 2.313 21.171 3.581 111 HD3 ARG 15 3HD ARG 15 1.811 19.655 2.822 112 HE ARG 15 HE ARG 15 0.134 20.566 5.010 113 HH11 ARG 15 1HH1 ARG 15 0.561 20.628 1.507 114 HH12 ARG 15 2HH1 ARG 15 -1.098 21.040 1.201 115 HH21 ARG 15 1HH2 ARG 15 -2.015 21.082 4.583 116 HH22 ARG 15 2HH2 ARG 15 -2.549 21.295 2.950 117 H LEU 16 H LEU 16 3.948 17.100 7.796 118 HA LEU 16 HA LEU 16 3.889 14.509 6.532 119 HB2 LEU 16 2HB LEU 16 3.113 15.467 9.303 120 HB3 LEU 16 3HB LEU 16 2.733 13.838 8.766 121 HG LEU 16 HG LEU 16 5.218 13.466 8.359 122 HD11 LEU 16 1HD1 LEU 16 5.949 15.789 8.168 123 HD12 LEU 16 2HD1 LEU 16 6.843 14.936 9.426 124 HD13 LEU 16 3HD1 LEU 16 5.558 16.065 9.867 125 HD21 LEU 16 3HD2 LEU 16 4.109 12.587 10.348 126 HD22 LEU 16 1HD2 LEU 16 4.402 14.103 11.207 127 HD23 LEU 16 2HD2 LEU 16 5.760 13.083 10.716 128 H ILE 17 H ILE 17 2.510 14.742 4.846 129 HA ILE 17 HA ILE 17 -0.152 15.578 4.813 130 HB ILE 17 HB ILE 17 1.134 13.393 3.102 131 HG12 ILE 17 2HG1 ILE 17 0.849 16.389 2.569 132 HG13 ILE 17 3HG1 ILE 17 2.342 15.567 3.005 133 HG21 ILE 17 1HG2 ILE 17 -1.337 13.295 2.959 134 HG22 ILE 17 2HG2 ILE 17 -0.644 13.859 1.439 135 HG23 ILE 17 3HG2 ILE 17 -1.394 15.013 2.546 136 HD11 ILE 17 3HD1 ILE 17 2.296 16.039 0.656 137 HD12 ILE 17 1HD1 ILE 17 0.768 15.180 0.463 138 HD13 ILE 17 2HD1 ILE 17 2.233 14.295 0.905 139 H HIS 18 H HIS 18 -1.704 14.843 6.084 140 HA HIS 18 HA HIS 18 -1.590 12.358 7.512 141 HB2 HIS 18 2HB HIS 18 -3.916 14.329 7.272 142 HB3 HIS 18 3HB HIS 18 -3.754 13.063 8.487 143 HD1 HIS 18 HD1 HIS 18 -2.056 13.478 10.418 144 HD2 HIS 18 HD2 HIS 18 -2.383 16.641 7.745 145 HE1 HIS 18 HE1 HIS 18 -0.928 15.423 11.529 146 HE2 HIS 18 HE2 HIS 18 -0.945 17.236 9.796 147 H ILE 19 H ILE 19 -2.665 10.458 7.080 148 HA ILE 19 HA ILE 19 -4.338 10.270 4.623 149 HB ILE 19 HB ILE 19 -2.424 8.184 5.797 150 HG12 ILE 19 2HG1 ILE 19 -1.203 10.009 4.624 151 HG13 ILE 19 3HG1 ILE 19 -1.061 8.491 3.746 152 HG21 ILE 19 1HG2 ILE 19 -4.380 7.092 4.812 153 HG22 ILE 19 2HG2 ILE 19 -2.957 6.803 3.808 154 HG23 ILE 19 3HG2 ILE 19 -4.161 7.996 3.312 155 HD11 ILE 19 3HD1 ILE 19 -2.782 9.277 2.158 156 HD12 ILE 19 1HD1 ILE 19 -1.372 10.336 2.230 157 HD13 ILE 19 2HD1 ILE 19 -2.864 10.807 3.040 158 H LYS 20 H LYS 20 -6.268 8.951 4.853 159 HA LYS 20 HA LYS 20 -7.178 8.661 7.622 160 HB2 LYS 20 2HB LYS 20 -8.596 9.916 6.038 161 HB3 LYS 20 3HB LYS 20 -8.673 8.521 4.965 162 HG2 LYS 20 2HG LYS 20 -9.889 7.249 6.696 163 HG3 LYS 20 3HG LYS 20 -9.789 8.628 7.796 164 HD2 LYS 20 2HD LYS 20 -11.218 8.654 5.102 165 HD3 LYS 20 3HD LYS 20 -12.015 8.403 6.657 166 HE2 LYS 20 2HE LYS 20 -11.323 10.650 7.393 167 HE3 LYS 20 3HE LYS 20 -10.466 10.902 5.872 168 HZ1 LYS 20 3HZ LYS 20 -12.592 10.725 4.708 169 HZ2 LYS 20 1HZ LYS 20 -12.598 11.985 5.835 170 HZ3 LYS 20 2HZ LYS 20 -13.399 10.538 6.182 171 H THR 21 H THR 21 -6.950 6.714 8.538 172 HA THR 21 HA THR 21 -6.628 4.284 6.897 173 HB THR 21 HB THR 21 -6.040 4.763 9.851 174 HG1 THR 21 HG1 THR 21 -4.342 4.394 7.593 175 HG21 THR 21 3HG2 THR 21 -4.938 2.549 9.804 176 HG22 THR 21 1HG2 THR 21 -5.481 2.313 8.146 177 HG23 THR 21 2HG2 THR 21 -6.665 2.398 9.454 178 H LEU 22 H LEU 22 -8.289 2.944 6.684 179 HA LEU 22 HA LEU 22 -10.608 3.047 8.520 180 HB2 LEU 22 2HB LEU 22 -10.650 2.859 5.475 181 HB3 LEU 22 3HB LEU 22 -12.067 2.700 6.505 182 HG LEU 22 HG LEU 22 -10.366 5.215 6.250 183 HD11 LEU 22 1HD1 LEU 22 -12.256 6.184 5.051 184 HD12 LEU 22 2HD1 LEU 22 -13.109 4.637 5.109 185 HD13 LEU 22 3HD1 LEU 22 -11.602 4.787 4.200 186 HD21 LEU 22 3HD2 LEU 22 -12.166 6.315 7.526 187 HD22 LEU 22 1HD2 LEU 22 -11.371 5.054 8.465 188 HD23 LEU 22 2HD2 LEU 22 -12.963 4.755 7.759 189 H THR 23 H THR 23 -11.498 1.089 9.033 190 HA THR 23 HA THR 23 -10.073 -1.341 8.469 191 HB THR 23 HB THR 23 -12.027 -2.414 9.751 192 HG1 THR 23 HG1 THR 23 -13.754 -1.189 9.851 193 HG21 THR 23 3HG2 THR 23 -11.376 -1.465 11.943 194 HG22 THR 23 1HG2 THR 23 -10.600 -0.105 11.127 195 HG23 THR 23 2HG2 THR 23 -9.956 -1.737 10.928 196 H THR 24 H THR 24 -10.730 -3.086 7.219 197 HA THR 24 HA THR 24 -12.764 -2.582 5.117 198 HB THR 24 HB THR 24 -11.393 -4.153 3.689 199 HG1 THR 24 HG1 THR 24 -9.774 -4.195 6.001 200 HG21 THR 24 3HG2 THR 24 -9.502 -2.642 3.222 201 HG22 THR 24 1HG2 THR 24 -9.804 -1.787 4.740 202 HG23 THR 24 2HG2 THR 24 -11.000 -1.736 3.442 203 HA PRO 25 HA PRO 25 -14.642 -6.544 6.469 204 HB2 PRO 25 2HB PRO 25 -15.956 -7.343 4.231 205 HB3 PRO 25 3HB PRO 25 -16.445 -5.858 5.084 206 HG2 PRO 25 2HG PRO 25 -14.688 -6.129 2.644 207 HG3 PRO 25 3HG PRO 25 -16.074 -5.043 2.907 208 HD2 PRO 25 2HD PRO 25 -13.502 -4.206 3.255 209 HD3 PRO 25 3HD PRO 25 -14.846 -3.557 4.217 210 H ASN 26 H ASN 26 -11.796 -6.604 5.480 211 HA ASN 26 HA ASN 26 -11.596 -9.429 4.724 212 HB2 ASN 26 2HB ASN 26 -11.491 -7.913 2.635 213 HB3 ASN 26 3HB ASN 26 -9.998 -7.246 3.282 214 HD21 ASN 26 1HD2 ASN 26 -10.250 -8.515 0.797 215 HD22 ASN 26 2HD2 ASN 26 -9.305 -9.961 0.812 216 H GLU 27 H GLU 27 -10.144 -10.360 6.067 217 HA GLU 27 HA GLU 27 -8.424 -8.880 7.844 218 HB2 GLU 27 2HB GLU 27 -9.479 -11.102 8.415 219 HB3 GLU 27 3HB GLU 27 -8.431 -11.877 7.231 220 HG2 GLU 27 2HG GLU 27 -6.443 -11.143 8.537 221 HG3 GLU 27 3HG GLU 27 -7.512 -10.400 9.724 222 H ASN 28 H ASN 28 -6.053 -9.253 7.927 223 HA ASN 28 HA ASN 28 -3.990 -8.922 7.133 224 HB2 ASN 28 2HB ASN 28 -4.971 -10.401 4.648 225 HB3 ASN 28 3HB ASN 28 -3.293 -9.954 4.928 226 HD21 ASN 28 1HD2 ASN 28 -2.390 -11.944 5.093 227 HD22 ASN 28 2HD2 ASN 28 -2.845 -13.143 6.248 228 H ALA 29 H ALA 29 -6.643 -7.405 5.921 229 HA ALA 29 HA ALA 29 -5.176 -5.670 4.029 230 HB1 ALA 29 3HB ALA 29 -7.334 -5.370 2.865 231 HB2 ALA 29 1HB ALA 29 -8.105 -6.492 3.991 232 HB3 ALA 29 2HB ALA 29 -6.848 -7.064 2.891 233 H LEU 30 H LEU 30 -5.511 -3.464 4.208 234 HA LEU 30 HA LEU 30 -7.390 -2.340 6.140 235 HB2 LEU 30 2HB LEU 30 -5.341 -2.928 7.476 236 HB3 LEU 30 3HB LEU 30 -4.388 -1.896 6.427 237 HG LEU 30 HG LEU 30 -5.684 0.093 7.249 238 HD11 LEU 30 1HD1 LEU 30 -7.778 -1.017 7.867 239 HD12 LEU 30 2HD1 LEU 30 -7.120 -0.102 9.221 240 HD13 LEU 30 3HD1 LEU 30 -6.958 -1.860 9.187 241 HD21 LEU 30 3HD2 LEU 30 -3.532 -0.497 8.268 242 HD22 LEU 30 1HD2 LEU 30 -4.348 -1.554 9.425 243 HD23 LEU 30 2HD2 LEU 30 -4.624 0.190 9.468 244 H LYS 31 H LYS 31 -8.109 -0.441 5.387 245 HA LYS 31 HA LYS 31 -7.193 0.504 2.817 246 HB2 LYS 31 2HB LYS 31 -9.581 0.202 3.281 247 HB3 LYS 31 3HB LYS 31 -9.505 1.366 4.597 248 HG2 LYS 31 2HG LYS 31 -9.078 3.177 3.018 249 HG3 LYS 31 3HG LYS 31 -9.017 2.026 1.672 250 HD2 LYS 31 2HD LYS 31 -11.386 1.427 2.057 251 HD3 LYS 31 3HD LYS 31 -11.455 2.521 3.442 252 HE2 LYS 31 2HE LYS 31 -11.067 4.435 1.946 253 HE3 LYS 31 3HE LYS 31 -10.958 3.345 0.569 254 HZ1 LYS 31 3HZ LYS 31 -13.361 3.672 2.270 255 HZ2 LYS 31 1HZ LYS 31 -13.241 2.728 0.874 256 HZ3 LYS 31 2HZ LYS 31 -13.133 4.412 0.768 257 H PHE 32 H PHE 32 -5.949 2.213 2.475 258 HA PHE 32 HA PHE 32 -5.647 4.377 4.462 259 HB2 PHE 32 2HB PHE 32 -3.590 3.301 2.461 260 HB3 PHE 32 3HB PHE 32 -3.366 4.744 3.443 261 HD1 PHE 32 HD2 PHE 32 -3.614 1.046 3.549 262 HD2 PHE 32 HD1 PHE 32 -2.782 4.592 5.801 263 HE1 PHE 32 HE2 PHE 32 -2.687 -0.323 5.367 264 HE2 PHE 32 HE1 PHE 32 -1.861 3.209 7.608 265 HZ PHE 32 HZ PHE 32 -1.811 0.757 7.396 266 H LEU 33 H LEU 33 -6.549 6.183 3.724 267 HA LEU 33 HA LEU 33 -7.418 6.310 0.898 268 HB2 LEU 33 2HB LEU 33 -9.185 5.769 2.548 269 HB3 LEU 33 3HB LEU 33 -8.803 7.223 3.457 270 HG LEU 33 HG LEU 33 -9.580 8.621 1.543 271 HD11 LEU 33 1HD1 LEU 33 -10.780 7.601 -0.337 272 HD12 LEU 33 2HD1 LEU 33 -10.338 5.992 0.239 273 HD13 LEU 33 3HD1 LEU 33 -9.088 7.111 -0.311 274 HD21 LEU 33 3HD2 LEU 33 -11.972 8.162 1.775 275 HD22 LEU 33 1HD2 LEU 33 -11.148 8.046 3.329 276 HD23 LEU 33 2HD2 LEU 33 -11.617 6.576 2.466 277 H SER 34 H SER 34 -6.812 8.086 -0.221 278 HA SER 34 HA SER 34 -5.484 10.313 1.155 279 HB2 SER 34 2HB SER 34 -5.812 9.790 -1.837 280 HB3 SER 34 3HB SER 34 -4.768 11.006 -1.093 281 HG SER 34 HG SER 34 -3.552 9.198 -1.606 282 H THR 35 H THR 35 -6.982 11.647 2.007 283 HA THR 35 HA THR 35 -9.419 12.403 0.516 284 HB THR 35 HB THR 35 -10.183 13.291 2.733 285 HG1 THR 35 HG1 THR 35 -8.920 13.127 4.507 286 HG21 THR 35 3HG2 THR 35 -10.481 11.123 3.864 287 HG22 THR 35 1HG2 THR 35 -9.222 10.407 2.857 288 HG23 THR 35 2HG2 THR 35 -10.733 10.956 2.126 289 H ASP 36 H ASP 36 -6.316 13.546 1.196 290 HA ASP 36 HA ASP 36 -6.693 16.299 1.675 291 HB2 ASP 36 2HB ASP 36 -4.292 16.508 1.036 292 HB3 ASP 36 3HB ASP 36 -4.574 15.187 2.161 293 H GLY 37 H GLY 37 -6.168 14.518 -1.389 294 HA2 GLY 37 2HA GLY 37 -7.783 15.725 -3.111 295 HA3 GLY 37 3HA GLY 37 -6.526 16.949 -2.999 296 H GLU 38 H GLU 38 -4.379 14.919 -2.682 297 HA GLU 38 HA GLU 38 -3.765 14.581 -5.456 298 HB2 GLU 38 2HB GLU 38 -2.358 13.403 -3.024 299 HB3 GLU 38 3HB GLU 38 -1.702 13.479 -4.658 300 HG2 GLU 38 2HG GLU 38 -2.366 15.875 -2.911 301 HG3 GLU 38 3HG GLU 38 -0.759 15.195 -3.145 302 H MET 39 H MET 39 -4.741 13.126 -6.648 303 HA MET 39 HA MET 39 -6.118 10.828 -5.537 304 HB2 MET 39 2HB MET 39 -7.054 12.529 -7.241 305 HB3 MET 39 3HB MET 39 -6.039 11.742 -8.440 306 HG2 MET 39 2HG MET 39 -8.239 10.864 -8.662 307 HG3 MET 39 3HG MET 39 -7.254 9.598 -7.929 308 HE1 MET 39 3HE MET 39 -10.584 9.984 -7.988 309 HE2 MET 39 1HE MET 39 -10.929 9.268 -6.415 310 HE3 MET 39 2HE MET 39 -9.741 8.517 -7.483 311 H LEU 40 H LEU 40 -5.564 8.692 -5.903 312 HA LEU 40 HA LEU 40 -2.806 8.156 -6.418 313 HB2 LEU 40 2HB LEU 40 -5.113 6.253 -5.901 314 HB3 LEU 40 3HB LEU 40 -3.423 5.772 -5.963 315 HG LEU 40 HG LEU 40 -4.725 7.579 -3.888 316 HD11 LEU 40 1HD1 LEU 40 -5.212 5.251 -3.540 317 HD12 LEU 40 2HD1 LEU 40 -4.042 5.774 -2.329 318 HD13 LEU 40 3HD1 LEU 40 -3.509 4.808 -3.716 319 HD21 LEU 40 3HD2 LEU 40 -1.786 6.830 -4.127 320 HD22 LEU 40 1HD2 LEU 40 -2.533 7.695 -2.778 321 HD23 LEU 40 2HD2 LEU 40 -2.472 8.438 -4.372 322 H GLN 41 H GLN 41 -5.755 7.529 -8.263 323 HA GLN 41 HA GLN 41 -4.103 7.272 -10.694 324 HB2 GLN 41 2HB GLN 41 -6.390 5.356 -10.019 325 HB3 GLN 41 3HB GLN 41 -5.586 5.444 -11.580 326 HG2 GLN 41 2HG GLN 41 -3.494 4.651 -10.562 327 HG3 GLN 41 3HG GLN 41 -4.260 4.614 -8.975 328 HE21 GLN 41 1HE2 GLN 41 -5.783 2.972 -8.529 329 HE22 GLN 41 2HE2 GLN 41 -5.907 1.546 -9.498 330 H THR 42 H THR 42 -5.518 7.636 -12.668 331 HA THR 42 HA THR 42 -7.044 9.977 -12.419 332 HB THR 42 HB THR 42 -7.094 7.979 -14.732 333 HG1 THR 42 HG1 THR 42 -5.298 10.071 -14.031 334 HG21 THR 42 3HG2 THR 42 -7.691 10.974 -14.696 335 HG22 THR 42 1HG2 THR 42 -8.883 9.681 -14.905 336 HG23 THR 42 2HG2 THR 42 -7.641 9.940 -16.126 337 H ARG 43 H ARG 43 -9.124 10.298 -11.864 338 HA ARG 43 HA ARG 43 -10.494 8.371 -10.436 339 HB2 ARG 43 2HB ARG 43 -10.692 10.812 -10.070 340 HB3 ARG 43 3HB ARG 43 -11.626 10.970 -11.560 341 HG2 ARG 43 2HG ARG 43 -13.426 9.601 -10.604 342 HG3 ARG 43 3HG ARG 43 -12.480 9.334 -9.137 343 HD2 ARG 43 2HD ARG 43 -14.173 11.043 -8.747 344 HD3 ARG 43 3HD ARG 43 -12.563 11.762 -8.656 345 HE ARG 43 HE ARG 43 -13.519 12.054 -11.277 346 HH11 ARG 43 1HH1 ARG 43 -14.265 13.309 -8.063 347 HH12 ARG 43 2HH1 ARG 43 -14.901 14.804 -8.673 348 HH21 ARG 43 1HH2 ARG 43 -14.337 14.006 -12.051 349 HH22 ARG 43 2HH2 ARG 43 -14.940 15.199 -10.941 350 H GLY 44 H GLY 44 -11.767 6.753 -11.001 351 HA2 GLY 44 2HA GLY 44 -13.556 5.756 -12.289 352 HA3 GLY 44 3HA GLY 44 -12.999 6.638 -13.702 353 H SER 45 H SER 45 -10.457 5.434 -11.789 354 HA SER 45 HA SER 45 -9.711 3.465 -13.795 355 HB2 SER 45 2HB SER 45 -8.012 5.024 -12.884 356 HB3 SER 45 3HB SER 45 -8.255 4.365 -11.263 357 HG SER 45 HG SER 45 -7.081 2.675 -11.785 358 H LYS 46 H LYS 46 -9.043 1.305 -13.217 359 HA LYS 46 HA LYS 46 -10.984 -0.047 -11.538 360 HB2 LYS 46 2HB LYS 46 -8.710 -1.210 -13.205 361 HB3 LYS 46 3HB LYS 46 -10.071 -2.104 -12.533 362 HG2 LYS 46 2HG LYS 46 -10.275 0.056 -14.662 363 HG3 LYS 46 3HG LYS 46 -10.273 -1.680 -14.980 364 HD2 LYS 46 2HD LYS 46 -12.363 -0.198 -13.339 365 HD3 LYS 46 3HD LYS 46 -12.550 -0.684 -15.025 366 HE2 LYS 46 2HE LYS 46 -12.221 -2.542 -12.645 367 HE3 LYS 46 3HE LYS 46 -13.697 -2.265 -13.566 368 HZ1 LYS 46 3HZ LYS 46 -12.557 -3.192 -15.519 369 HZ2 LYS 46 1HZ LYS 46 -12.683 -4.305 -14.255 370 HZ3 LYS 46 2HZ LYS 46 -11.210 -3.544 -14.565 371 H SER 47 H SER 47 -10.406 -1.542 -9.838 372 HA SER 47 HA SER 47 -8.158 -0.726 -8.205 373 HB2 SER 47 2HB SER 47 -9.054 -2.455 -6.587 374 HB3 SER 47 3HB SER 47 -10.224 -1.220 -7.043 375 HG SER 47 HG SER 47 -10.307 -3.381 -8.707 376 H ILE 48 H ILE 48 -6.315 -1.286 -9.270 377 HA ILE 48 HA ILE 48 -5.839 -3.836 -10.528 378 HB ILE 48 HB ILE 48 -3.875 -1.590 -9.863 379 HG12 ILE 48 2HG1 ILE 48 -5.402 -2.148 -12.448 380 HG13 ILE 48 3HG1 ILE 48 -5.713 -0.818 -11.336 381 HG21 ILE 48 1HG2 ILE 48 -2.686 -3.712 -10.266 382 HG22 ILE 48 2HG2 ILE 48 -2.405 -2.588 -11.597 383 HG23 ILE 48 3HG2 ILE 48 -3.546 -3.920 -11.795 384 HD11 ILE 48 3HD1 ILE 48 -4.504 -0.070 -13.290 385 HD12 ILE 48 1HD1 ILE 48 -3.199 -1.212 -12.966 386 HD13 ILE 48 2HD1 ILE 48 -3.511 0.121 -11.848 387 H VAL 49 H VAL 49 -5.315 -5.658 -9.404 388 HA VAL 49 HA VAL 49 -4.231 -5.441 -6.677 389 HB VAL 49 HB VAL 49 -5.243 -7.895 -8.192 390 HG11 VAL 49 1HG1 VAL 49 -3.511 -8.544 -6.555 391 HG12 VAL 49 2HG1 VAL 49 -5.103 -9.088 -6.021 392 HG13 VAL 49 3HG1 VAL 49 -4.365 -7.663 -5.284 393 HG21 VAL 49 3HG2 VAL 49 -6.529 -6.326 -5.921 394 HG22 VAL 49 1HG2 VAL 49 -7.173 -7.805 -6.644 395 HG23 VAL 49 2HG2 VAL 49 -7.062 -6.327 -7.605 396 H ILE 50 H ILE 50 -2.110 -5.523 -6.416 397 HA ILE 50 HA ILE 50 -0.339 -6.837 -8.391 398 HB ILE 50 HB ILE 50 0.248 -4.459 -6.550 399 HG12 ILE 50 2HG1 ILE 50 -0.128 -4.486 -9.580 400 HG13 ILE 50 3HG1 ILE 50 -1.252 -3.803 -8.409 401 HG21 ILE 50 1HG2 ILE 50 2.026 -5.757 -8.645 402 HG22 ILE 50 2HG2 ILE 50 2.249 -5.822 -6.895 403 HG23 ILE 50 3HG2 ILE 50 2.410 -4.286 -7.744 404 HD11 ILE 50 3HD1 ILE 50 1.539 -2.799 -9.004 405 HD12 ILE 50 1HD1 ILE 50 0.451 -2.137 -7.777 406 HD13 ILE 50 2HD1 ILE 50 0.010 -2.058 -9.480 407 H LYS 51 H LYS 51 0.276 -8.777 -7.450 408 HA LYS 51 HA LYS 51 0.619 -8.941 -4.520 409 HB2 LYS 51 2HB LYS 51 0.575 -11.105 -6.657 410 HB3 LYS 51 3HB LYS 51 0.869 -11.415 -4.949 411 HG2 LYS 51 2HG LYS 51 -1.361 -10.566 -4.387 412 HG3 LYS 51 3HG LYS 51 -1.675 -10.181 -6.077 413 HD2 LYS 51 2HD LYS 51 -1.083 -13.018 -5.146 414 HD3 LYS 51 3HD LYS 51 -2.712 -12.346 -5.103 415 HE2 LYS 51 2HE LYS 51 -2.464 -13.646 -7.124 416 HE3 LYS 51 3HE LYS 51 -2.562 -11.948 -7.575 417 HZ1 LYS 51 3HZ LYS 51 -0.067 -13.541 -7.380 418 HZ2 LYS 51 1HZ LYS 51 -0.171 -11.922 -7.858 419 HZ3 LYS 51 2HZ LYS 51 -0.864 -13.130 -8.808 420 H ASN 52 H ASN 52 2.544 -10.373 -3.876 421 HA ASN 52 HA ASN 52 4.886 -8.926 -4.464 422 HB2 ASN 52 2HB ASN 52 6.044 -10.580 -2.990 423 HB3 ASN 52 3HB ASN 52 4.589 -9.901 -2.276 424 HD21 ASN 52 1HD2 ASN 52 4.209 -11.552 -0.846 425 HD22 ASN 52 2HD2 ASN 52 3.810 -13.170 -1.310 426 H THR 53 H THR 53 3.549 -11.728 -6.047 427 HA THR 53 HA THR 53 6.042 -12.484 -7.346 428 HB THR 53 HB THR 53 4.286 -14.203 -6.801 429 HG1 THR 53 HG1 THR 53 5.663 -13.912 -9.124 430 HG21 THR 53 3HG2 THR 53 2.736 -12.978 -9.117 431 HG22 THR 53 1HG2 THR 53 2.254 -12.910 -7.414 432 HG23 THR 53 2HG2 THR 53 2.328 -14.460 -8.252 433 H ASP 54 H ASP 54 3.454 -10.274 -7.886 434 HA ASP 54 HA ASP 54 3.783 -10.002 -10.767 435 HB2 ASP 54 2HB ASP 54 2.150 -8.375 -8.751 436 HB3 ASP 54 3HB ASP 54 2.100 -8.143 -10.502 437 H GLU 55 H GLU 55 6.240 -9.631 -10.009 438 HA GLU 55 HA GLU 55 7.012 -7.162 -8.883 439 HB2 GLU 55 2HB GLU 55 8.422 -9.221 -8.892 440 HB3 GLU 55 3HB GLU 55 8.674 -9.023 -10.626 441 HG2 GLU 55 2HG GLU 55 9.880 -6.928 -10.264 442 HG3 GLU 55 3HG GLU 55 9.513 -6.972 -8.539 443 H ASN 56 H ASN 56 6.264 -8.082 -12.157 444 HA ASN 56 HA ASN 56 7.323 -5.914 -13.612 445 HB2 ASN 56 2HB ASN 56 6.406 -7.981 -14.656 446 HB3 ASN 56 3HB ASN 56 4.785 -7.538 -14.129 447 HD21 ASN 56 1HD2 ASN 56 4.005 -7.505 -16.250 448 HD22 ASN 56 2HD2 ASN 56 4.434 -6.274 -17.383 449 H LEU 57 H LEU 57 4.193 -6.374 -11.972 450 HA LEU 57 HA LEU 57 3.127 -3.791 -12.631 451 HB2 LEU 57 2HB LEU 57 2.246 -5.819 -10.547 452 HB3 LEU 57 3HB LEU 57 1.337 -4.382 -10.993 453 HG LEU 57 HG LEU 57 1.911 -6.773 -12.791 454 HD11 LEU 57 1HD1 LEU 57 -0.522 -7.143 -12.688 455 HD12 LEU 57 2HD1 LEU 57 -0.687 -5.799 -11.552 456 HD13 LEU 57 3HD1 LEU 57 0.220 -7.244 -11.092 457 HD21 LEU 57 3HD2 LEU 57 1.929 -4.719 -14.122 458 HD22 LEU 57 1HD2 LEU 57 0.380 -4.225 -13.429 459 HD23 LEU 57 2HD2 LEU 57 0.477 -5.658 -14.457 460 H ILE 58 H ILE 58 4.983 -5.124 -9.972 461 HA ILE 58 HA ILE 58 4.736 -2.985 -8.107 462 HB ILE 58 HB ILE 58 7.037 -4.974 -8.467 463 HG12 ILE 58 2HG1 ILE 58 4.677 -5.054 -6.522 464 HG13 ILE 58 3HG1 ILE 58 4.830 -6.043 -7.967 465 HG21 ILE 58 1HG2 ILE 58 7.798 -3.017 -7.190 466 HG22 ILE 58 2HG2 ILE 58 7.672 -4.421 -6.133 467 HG23 ILE 58 3HG2 ILE 58 6.424 -3.175 -6.090 468 HD11 ILE 58 3HD1 ILE 58 5.357 -7.324 -5.999 469 HD12 ILE 58 1HD1 ILE 58 6.605 -6.170 -5.530 470 HD13 ILE 58 2HD1 ILE 58 6.802 -7.143 -6.991 471 H ASN 59 H ASN 59 6.965 -3.637 -10.813 472 HA ASN 59 HA ASN 59 8.623 -1.352 -10.456 473 HB2 ASN 59 2HB ASN 59 8.204 -3.154 -12.869 474 HB3 ASN 59 3HB ASN 59 9.418 -1.873 -12.817 475 HD21 ASN 59 1HD2 ASN 59 9.826 -4.713 -13.131 476 HD22 ASN 59 2HD2 ASN 59 10.824 -5.225 -11.821 477 H HIS 60 H HIS 60 5.425 -1.569 -11.712 478 HA HIS 60 HA HIS 60 5.535 0.903 -13.231 479 HB2 HIS 60 2HB HIS 60 3.219 -0.832 -12.269 480 HB3 HIS 60 3HB HIS 60 2.943 0.722 -13.050 481 HD1 HIS 60 HD1 HIS 60 3.894 0.933 -15.554 482 HD2 HIS 60 HD2 HIS 60 3.594 -2.917 -14.032 483 HE1 HIS 60 HE1 HIS 60 3.997 -0.590 -17.541 484 HE2 HIS 60 HE2 HIS 60 3.649 -2.887 -16.605 485 H SER 61 H SER 61 4.839 -0.071 -9.938 486 HA SER 61 HA SER 61 4.149 2.707 -9.187 487 HB2 SER 61 2HB SER 61 2.372 1.124 -8.655 488 HB3 SER 61 3HB SER 61 3.503 0.064 -7.816 489 HG SER 61 HG SER 61 2.890 2.734 -7.074 490 H LYS 62 H LYS 62 6.025 3.692 -8.639 491 HA LYS 62 HA LYS 62 8.303 2.672 -7.415 492 HB2 LYS 62 2HB LYS 62 8.237 4.909 -8.392 493 HB3 LYS 62 3HB LYS 62 7.047 5.434 -7.208 494 HG2 LYS 62 2HG LYS 62 8.757 5.164 -5.402 495 HG3 LYS 62 3HG LYS 62 9.942 4.698 -6.628 496 HD2 LYS 62 2HD LYS 62 10.204 7.071 -6.017 497 HD3 LYS 62 3HD LYS 62 9.722 6.907 -7.706 498 HE2 LYS 62 2HE LYS 62 7.363 7.427 -7.049 499 HE3 LYS 62 3HE LYS 62 7.903 7.656 -5.383 500 HZ1 LYS 62 3HZ LYS 62 9.311 9.473 -6.130 501 HZ2 LYS 62 1HZ LYS 62 7.705 9.756 -6.564 502 HZ3 LYS 62 2HZ LYS 62 8.813 9.240 -7.725 503 H LEU 63 H LEU 63 5.275 3.801 -5.981 504 HA LEU 63 HA LEU 63 5.988 3.758 -3.253 505 HB2 LEU 63 2HB LEU 63 3.942 4.841 -4.182 506 HB3 LEU 63 3HB LEU 63 3.257 3.252 -4.481 507 HG LEU 63 HG LEU 63 3.339 2.804 -1.986 508 HD11 LEU 63 1HD1 LEU 63 3.639 4.693 -0.448 509 HD12 LEU 63 2HD1 LEU 63 4.109 5.727 -1.800 510 HD13 LEU 63 3HD1 LEU 63 5.107 4.339 -1.354 511 HD21 LEU 63 3HD2 LEU 63 1.258 3.541 -3.048 512 HD22 LEU 63 1HD2 LEU 63 1.706 5.228 -2.784 513 HD23 LEU 63 2HD2 LEU 63 1.399 4.164 -1.408 514 H ALA 64 H ALA 64 4.631 1.233 -5.395 515 HA ALA 64 HA ALA 64 4.170 -0.773 -3.460 516 HB1 ALA 64 3HB ALA 64 3.267 -0.895 -5.750 517 HB2 ALA 64 1HB ALA 64 4.195 -2.347 -5.356 518 HB3 ALA 64 2HB ALA 64 4.897 -1.100 -6.395 519 H GLN 65 H GLN 65 6.979 -0.008 -5.501 520 HA GLN 65 HA GLN 65 8.732 -2.045 -4.745 521 HB2 GLN 65 2HB GLN 65 9.367 0.822 -5.560 522 HB3 GLN 65 3HB GLN 65 10.575 -0.455 -5.418 523 HG2 GLN 65 2HG GLN 65 9.445 -1.733 -7.194 524 HG3 GLN 65 3HG GLN 65 8.221 -0.470 -7.334 525 HE21 GLN 65 1HE2 GLN 65 10.166 -1.505 -9.322 526 HE22 GLN 65 2HE2 GLN 65 11.032 -0.117 -9.874 527 H GLN 66 H GLN 66 8.201 1.170 -3.258 528 HA GLN 66 HA GLN 66 10.128 1.025 -1.216 529 HB2 GLN 66 2HB GLN 66 7.481 2.536 -1.286 530 HB3 GLN 66 3HB GLN 66 8.763 2.823 -0.113 531 HG2 GLN 66 2HG GLN 66 9.065 3.193 -3.112 532 HG3 GLN 66 3HG GLN 66 8.690 4.487 -1.980 533 HE21 GLN 66 1HE2 GLN 66 11.157 2.194 -2.992 534 HE22 GLN 66 2HE2 GLN 66 12.493 3.017 -2.268 535 H ILE 67 H ILE 67 6.673 0.071 -1.202 536 HA ILE 67 HA ILE 67 6.450 -0.479 1.568 537 HB ILE 67 HB ILE 67 4.751 -1.447 -0.780 538 HG12 ILE 67 2HG1 ILE 67 4.230 0.821 1.202 539 HG13 ILE 67 3HG1 ILE 67 4.839 1.046 -0.432 540 HG21 ILE 67 1HG2 ILE 67 4.389 -2.951 1.138 541 HG22 ILE 67 2HG2 ILE 67 2.962 -1.956 0.853 542 HG23 ILE 67 3HG2 ILE 67 4.058 -1.564 2.181 543 HD11 ILE 67 3HD1 ILE 67 2.752 0.131 -1.331 544 HD12 ILE 67 1HD1 ILE 67 2.483 1.543 -0.309 545 HD13 ILE 67 2HD1 ILE 67 2.137 -0.071 0.313 546 H PHE 68 H PHE 68 6.905 -2.665 -1.236 547 HA PHE 68 HA PHE 68 7.107 -5.081 0.243 548 HB2 PHE 68 2HB PHE 68 7.967 -4.385 -2.595 549 HB3 PHE 68 3HB PHE 68 8.145 -6.002 -1.924 550 HD1 PHE 68 HD1 PHE 68 5.951 -7.119 -0.976 551 HD2 PHE 68 HD2 PHE 68 5.931 -3.832 -3.710 552 HE1 PHE 68 HE1 PHE 68 3.658 -7.690 -1.668 553 HE2 PHE 68 HE2 PHE 68 3.643 -4.404 -4.382 554 HZ PHE 68 HZ PHE 68 2.501 -6.336 -3.368 555 H LEU 69 H LEU 69 9.546 -2.711 -0.820 556 HA LEU 69 HA LEU 69 11.882 -4.225 -0.291 557 HB2 LEU 69 2HB LEU 69 11.826 -2.156 -1.673 558 HB3 LEU 69 3HB LEU 69 11.469 -1.212 -0.239 559 HG LEU 69 HG LEU 69 13.734 -1.817 0.687 560 HD11 LEU 69 1HD1 LEU 69 14.194 -3.093 -2.026 561 HD12 LEU 69 2HD1 LEU 69 14.094 -3.936 -0.477 562 HD13 LEU 69 3HD1 LEU 69 15.422 -2.820 -0.786 563 HD21 LEU 69 3HD2 LEU 69 13.790 -0.479 -2.040 564 HD22 LEU 69 1HD2 LEU 69 15.029 -0.339 -0.787 565 HD23 LEU 69 2HD2 LEU 69 13.414 0.306 -0.502 566 H GLN 70 H GLN 70 10.055 -1.882 1.647 567 HA GLN 70 HA GLN 70 11.759 -2.007 3.945 568 HB2 GLN 70 2HB GLN 70 9.012 -0.797 3.462 569 HB3 GLN 70 3HB GLN 70 9.800 -0.725 5.039 570 HG2 GLN 70 2HG GLN 70 11.725 0.472 3.975 571 HG3 GLN 70 3HG GLN 70 10.838 0.480 2.445 572 HE21 GLN 70 1HE2 GLN 70 10.964 2.784 2.506 573 HE22 GLN 70 2HE2 GLN 70 9.899 3.703 3.511 574 H CYS 71 H CYS 71 8.934 -3.830 2.873 575 HA CYS 71 HA CYS 71 9.205 -5.609 5.163 576 HB2 CYS 71 2HB CYS 71 7.555 -4.047 6.033 577 HB3 CYS 71 3HB CYS 71 6.593 -4.175 4.560 578 HG CYS 71 HG CYS 71 7.045 -6.576 6.958 579 HA PRO 72 HA PRO 72 8.148 -8.241 1.538 580 HB2 PRO 72 2HB PRO 72 9.651 -10.389 2.263 581 HB3 PRO 72 3HB PRO 72 10.385 -8.946 1.524 582 HG2 PRO 72 2HG PRO 72 10.272 -9.711 4.434 583 HG3 PRO 72 3HG PRO 72 11.644 -9.091 3.485 584 HD2 PRO 72 2HD PRO 72 10.101 -7.481 5.094 585 HD3 PRO 72 3HD PRO 72 10.939 -6.886 3.646 586 H GLY 73 H GLY 73 7.052 -8.017 4.592 587 HA2 GLY 73 2HA GLY 73 5.633 -10.554 4.791 588 HA3 GLY 73 3HA GLY 73 5.459 -9.146 5.833 589 H VAL 74 H VAL 74 5.219 -7.461 3.278 590 HA VAL 74 HA VAL 74 2.379 -7.483 3.021 591 HB VAL 74 HB VAL 74 4.498 -6.041 1.362 592 HG11 VAL 74 1HG1 VAL 74 2.373 -6.154 0.130 593 HG12 VAL 74 2HG1 VAL 74 2.669 -4.503 0.683 594 HG13 VAL 74 3HG1 VAL 74 1.503 -5.523 1.532 595 HG21 VAL 74 3HG2 VAL 74 2.870 -5.034 3.735 596 HG22 VAL 74 1HG2 VAL 74 4.011 -4.078 2.784 597 HG23 VAL 74 2HG2 VAL 74 4.591 -5.428 3.761 598 H GLU 75 H GLU 75 1.247 -8.900 1.830 599 HA GLU 75 HA GLU 75 2.615 -10.706 -0.012 600 HB2 GLU 75 2HB GLU 75 0.517 -12.027 0.072 601 HB3 GLU 75 3HB GLU 75 1.138 -11.685 1.683 602 HG2 GLU 75 2HG GLU 75 -0.515 -9.855 1.920 603 HG3 GLU 75 3HG GLU 75 -1.166 -10.248 0.330 604 H SER 76 H SER 76 0.249 -8.091 -0.080 605 HA SER 76 HA SER 76 0.375 -7.848 -2.946 606 HB2 SER 76 2HB SER 76 -1.263 -9.699 -2.681 607 HB3 SER 76 3HB SER 76 -2.256 -8.680 -1.641 608 HG SER 76 HG SER 76 -1.581 -8.100 -4.343 609 H LEU 77 H LEU 77 -0.974 -6.052 -3.715 610 HA LEU 77 HA LEU 77 -1.915 -4.100 -1.715 611 HB2 LEU 77 2HB LEU 77 -0.400 -3.440 -4.287 612 HB3 LEU 77 3HB LEU 77 -1.022 -2.276 -3.127 613 HG LEU 77 HG LEU 77 1.270 -4.224 -2.618 614 HD11 LEU 77 1HD1 LEU 77 2.708 -2.249 -2.663 615 HD12 LEU 77 2HD1 LEU 77 1.330 -1.229 -3.089 616 HD13 LEU 77 3HD1 LEU 77 1.888 -2.480 -4.204 617 HD21 LEU 77 3HD2 LEU 77 1.651 -2.962 -0.552 618 HD22 LEU 77 1HD2 LEU 77 0.065 -3.731 -0.546 619 HD23 LEU 77 2HD2 LEU 77 0.203 -1.997 -0.855 620 H MET 78 H MET 78 -4.038 -3.616 -2.187 621 HA MET 78 HA MET 78 -5.052 -3.938 -4.936 622 HB2 MET 78 2HB MET 78 -6.512 -4.875 -3.187 623 HB3 MET 78 3HB MET 78 -6.549 -3.328 -2.350 624 HG2 MET 78 2HG MET 78 -7.774 -2.306 -4.195 625 HG3 MET 78 3HG MET 78 -7.632 -3.784 -5.147 626 HE1 MET 78 3HE MET 78 -10.057 -6.219 -3.316 627 HE2 MET 78 1HE MET 78 -8.301 -6.139 -3.165 628 HE3 MET 78 2HE MET 78 -9.063 -5.954 -4.747 629 H ILE 79 H ILE 79 -4.681 -2.225 -6.166 630 HA ILE 79 HA ILE 79 -4.171 0.414 -5.014 631 HB ILE 79 HB ILE 79 -3.870 -0.424 -7.939 632 HG12 ILE 79 2HG1 ILE 79 -2.382 -1.856 -6.497 633 HG13 ILE 79 3HG1 ILE 79 -1.482 -0.813 -7.589 634 HG21 ILE 79 1HG2 ILE 79 -2.797 1.955 -6.366 635 HG22 ILE 79 2HG2 ILE 79 -4.014 1.979 -7.646 636 HG23 ILE 79 3HG2 ILE 79 -2.345 1.566 -8.032 637 HD11 ILE 79 3HD1 ILE 79 -0.419 -0.950 -5.442 638 HD12 ILE 79 1HD1 ILE 79 -1.881 -0.389 -4.639 639 HD13 ILE 79 2HD1 ILE 79 -0.994 0.695 -5.715 640 H GLY 80 H GLY 80 -6.060 1.490 -4.700 641 HA2 GLY 80 2HA GLY 80 -8.156 1.512 -6.785 642 HA3 GLY 80 3HA GLY 80 -8.290 2.175 -5.153 643 H ASP 81 H ASP 81 -8.953 3.633 -7.452 644 HA ASP 81 HA ASP 81 -6.869 5.498 -8.107 645 HB2 ASP 81 2HB ASP 81 -8.620 6.778 -9.263 646 HB3 ASP 81 3HB ASP 81 -8.695 5.078 -9.694 647 H ASP 82 H ASP 82 -9.468 5.346 -5.766 648 HA ASP 82 HA ASP 82 -8.885 8.020 -4.685 649 HB2 ASP 82 2HB ASP 82 -11.257 7.280 -5.224 650 HB3 ASP 82 3HB ASP 82 -11.137 6.090 -3.932 651 H PHE 83 H PHE 83 -8.559 4.616 -3.897 652 HA PHE 83 HA PHE 83 -7.525 5.241 -1.191 653 HB2 PHE 83 2HB PHE 83 -8.757 3.345 -0.248 654 HB3 PHE 83 3HB PHE 83 -9.871 4.487 -0.981 655 HD1 PHE 83 HD2 PHE 83 -10.838 3.924 -3.311 656 HD2 PHE 83 HD1 PHE 83 -8.772 1.039 -0.899 657 HE1 PHE 83 HE2 PHE 83 -11.854 2.098 -4.607 658 HE2 PHE 83 HE1 PHE 83 -9.796 -0.773 -2.204 659 HZ PHE 83 HZ PHE 83 -11.333 -0.249 -4.059 660 H LEU 84 H LEU 84 -6.383 3.325 -0.213 661 HA LEU 84 HA LEU 84 -5.144 1.470 -2.144 662 HB2 LEU 84 2HB LEU 84 -3.601 3.367 -1.982 663 HB3 LEU 84 3HB LEU 84 -3.642 3.310 -0.228 664 HG LEU 84 HG LEU 84 -2.463 1.114 -0.264 665 HD11 LEU 84 1HD1 LEU 84 -2.346 1.456 -3.271 666 HD12 LEU 84 2HD1 LEU 84 -3.269 0.235 -2.390 667 HD13 LEU 84 3HD1 LEU 84 -1.510 0.216 -2.328 668 HD21 LEU 84 3HD2 LEU 84 -0.267 1.929 -0.973 669 HD22 LEU 84 1HD2 LEU 84 -1.154 3.173 -0.094 670 HD23 LEU 84 2HD2 LEU 84 -1.028 3.259 -1.853 671 H THR 85 H THR 85 -5.628 -0.475 -1.333 672 HA THR 85 HA THR 85 -5.880 -0.853 1.591 673 HB THR 85 HB THR 85 -6.938 -2.596 -0.679 674 HG1 THR 85 HG1 THR 85 -7.862 -0.340 0.006 675 HG21 THR 85 3HG2 THR 85 -8.249 -3.743 1.088 676 HG22 THR 85 1HG2 THR 85 -7.459 -2.755 2.317 677 HG23 THR 85 2HG2 THR 85 -6.514 -3.916 1.380 678 H ILE 86 H ILE 86 -4.036 -1.621 2.476 679 HA ILE 86 HA ILE 86 -2.029 -3.014 0.863 680 HB ILE 86 HB ILE 86 -1.921 -2.324 3.839 681 HG12 ILE 86 2HG1 ILE 86 -2.228 -0.257 2.472 682 HG13 ILE 86 3HG1 ILE 86 -0.669 -0.298 3.281 683 HG21 ILE 86 1HG2 ILE 86 -0.293 -4.049 3.205 684 HG22 ILE 86 2HG2 ILE 86 0.544 -2.542 3.585 685 HG23 ILE 86 3HG2 ILE 86 0.321 -3.028 1.902 686 HD11 ILE 86 3HD1 ILE 86 -0.475 0.588 1.064 687 HD12 ILE 86 1HD1 ILE 86 -1.191 -0.865 0.374 688 HD13 ILE 86 2HD1 ILE 86 0.387 -0.946 1.166 689 H ASN 87 H ASN 87 -1.875 -5.206 0.826 690 HA ASN 87 HA ASN 87 -3.235 -6.822 2.905 691 HB2 ASN 87 2HB ASN 87 -2.580 -7.471 0.002 692 HB3 ASN 87 3HB ASN 87 -3.057 -8.699 1.166 693 HD21 ASN 87 1HD2 ASN 87 -4.428 -5.409 0.859 694 HD22 ASN 87 2HD2 ASN 87 -6.005 -5.949 0.427 695 H LYS 88 H LYS 88 -1.967 -7.912 4.217 696 HA LYS 88 HA LYS 88 0.743 -8.786 3.545 697 HB2 LYS 88 2HB LYS 88 1.639 -7.689 5.680 698 HB3 LYS 88 3HB LYS 88 1.320 -6.600 4.341 699 HG2 LYS 88 2HG LYS 88 -0.368 -5.494 5.422 700 HG3 LYS 88 3HG LYS 88 -0.946 -6.938 6.245 701 HD2 LYS 88 2HD LYS 88 1.550 -5.393 7.037 702 HD3 LYS 88 3HD LYS 88 -0.040 -5.203 7.785 703 HE2 LYS 88 2HE LYS 88 1.663 -7.718 7.778 704 HE3 LYS 88 3HE LYS 88 1.299 -6.685 9.160 705 HZ1 LYS 88 3HZ LYS 88 -0.665 -8.301 7.628 706 HZ2 LYS 88 1HZ LYS 88 -1.039 -7.284 8.927 707 HZ3 LYS 88 2HZ LYS 88 -0.072 -8.648 9.167 708 H ASP 89 H ASP 89 1.582 -10.292 5.213 709 HA ASP 89 HA ASP 89 -0.400 -12.202 5.847 710 HB2 ASP 89 2HB ASP 89 1.987 -12.717 5.304 711 HB3 ASP 89 3HB ASP 89 2.469 -12.041 6.852 712 H ARG 90 H ARG 90 -1.473 -12.634 7.690 713 HA ARG 90 HA ARG 90 -1.978 -10.602 9.581 714 HB2 ARG 90 2HB ARG 90 -3.408 -12.348 10.715 715 HB3 ARG 90 3HB ARG 90 -3.743 -12.143 9.001 716 HG2 ARG 90 2HG ARG 90 -2.732 -14.204 8.414 717 HG3 ARG 90 3HG ARG 90 -1.880 -14.336 9.954 718 HD2 ARG 90 2HD ARG 90 -4.902 -14.504 9.641 719 HD3 ARG 90 3HD ARG 90 -3.824 -15.904 9.757 720 HE ARG 90 HE ARG 90 -3.105 -14.739 11.962 721 HH11 ARG 90 1HH1 ARG 90 -6.418 -14.861 10.784 722 HH12 ARG 90 2HH1 ARG 90 -7.105 -14.768 12.370 723 HH21 ARG 90 1HH2 ARG 90 -4.011 -14.548 14.008 724 HH22 ARG 90 2HH2 ARG 90 -5.731 -14.594 14.209 725 H MET 91 H MET 91 0.331 -13.219 9.607 726 HA MET 91 HA MET 91 0.651 -13.540 12.422 727 HB2 MET 91 2HB MET 91 2.678 -14.077 10.201 728 HB3 MET 91 3HB MET 91 2.769 -14.686 11.855 729 HG2 MET 91 2HG MET 91 0.690 -15.399 9.773 730 HG3 MET 91 3HG MET 91 1.971 -16.443 10.397 731 HE1 MET 91 3HE MET 91 -1.354 -18.051 11.797 732 HE2 MET 91 1HE MET 91 0.150 -18.384 10.938 733 HE3 MET 91 2HE MET 91 -1.060 -17.317 10.220 734 H VAL 92 H VAL 92 1.968 -11.303 10.075 735 HA VAL 92 HA VAL 92 3.645 -9.940 12.069 736 HB VAL 92 HB VAL 92 3.192 -9.175 9.138 737 HG11 VAL 92 1HG1 VAL 92 5.276 -7.875 9.394 738 HG12 VAL 92 2HG1 VAL 92 5.395 -8.381 11.081 739 HG13 VAL 92 3HG1 VAL 92 4.059 -7.350 10.561 740 HG21 VAL 92 3HG2 VAL 92 4.156 -11.447 9.219 741 HG22 VAL 92 1HG2 VAL 92 5.446 -10.876 10.285 742 HG23 VAL 92 2HG2 VAL 92 5.347 -10.288 8.621 743 H HIS 93 H HIS 93 3.063 -7.842 12.784 744 HA HIS 93 HA HIS 93 0.192 -7.193 12.441 745 HB2 HIS 93 2HB HIS 93 2.131 -6.602 14.716 746 HB3 HIS 93 3HB HIS 93 0.522 -5.885 14.611 747 HD1 HIS 93 HD1 HIS 93 2.264 -9.030 15.542 748 HD2 HIS 93 HD2 HIS 93 -1.632 -7.755 14.866 749 HE1 HIS 93 HE1 HIS 93 0.791 -10.858 16.422 750 HE2 HIS 93 HE2 HIS 93 -1.549 -10.117 15.884 751 H TRP 94 H TRP 94 -0.481 -5.028 12.380 752 HA TRP 94 HA TRP 94 0.889 -3.382 10.510 753 HB2 TRP 94 2HB TRP 94 -1.560 -2.800 12.232 754 HB3 TRP 94 3HB TRP 94 -1.012 -1.792 10.895 755 HD1 TRP 94 HD1 TRP 94 -3.003 -4.962 11.618 756 HE1 TRP 94 HE1 TRP 94 -4.017 -5.832 9.412 757 HE3 TRP 94 HE3 TRP 94 -0.457 -1.959 8.344 758 HZ2 TRP 94 HZ2 TRP 94 -3.741 -5.320 6.650 759 HZ3 TRP 94 HZ3 TRP 94 -0.869 -2.233 5.940 760 HH2 TRP 94 HH2 TRP 94 -2.483 -3.866 5.112 761 H ASN 95 H ASN 95 1.070 -3.600 13.927 762 HA ASN 95 HA ASN 95 1.502 -0.983 14.784 763 HB2 ASN 95 2HB ASN 95 2.771 -3.540 15.876 764 HB3 ASN 95 3HB ASN 95 2.699 -1.996 16.725 765 HD21 ASN 95 1HD2 ASN 95 1.506 -2.791 18.438 766 HD22 ASN 95 2HD2 ASN 95 -0.146 -3.282 18.301 767 H SER 96 H SER 96 3.708 -3.176 13.154 768 HA SER 96 HA SER 96 6.034 -1.431 13.483 769 HB2 SER 96 2HB SER 96 5.727 -4.080 12.007 770 HB3 SER 96 3HB SER 96 7.252 -3.252 12.340 771 HG SER 96 HG SER 96 7.162 -4.526 14.026 772 H ILE 97 H ILE 97 3.657 -2.271 11.000 773 HA ILE 97 HA ILE 97 5.414 -1.312 8.825 774 HB ILE 97 HB ILE 97 2.784 -2.831 8.568 775 HG12 ILE 97 2HG1 ILE 97 5.630 -3.942 8.583 776 HG13 ILE 97 3HG1 ILE 97 4.434 -4.174 9.855 777 HG21 ILE 97 1HG2 ILE 97 5.041 -2.439 6.555 778 HG22 ILE 97 2HG2 ILE 97 3.484 -1.615 6.517 779 HG23 ILE 97 3HG2 ILE 97 3.555 -3.360 6.280 780 HD11 ILE 97 3HD1 ILE 97 4.602 -6.136 8.491 781 HD12 ILE 97 1HD1 ILE 97 4.253 -5.209 7.033 782 HD13 ILE 97 2HD1 ILE 97 3.018 -5.393 8.277 783 H LYS 98 H LYS 98 2.121 -0.794 10.111 784 HA LYS 98 HA LYS 98 1.031 0.845 8.189 785 HB2 LYS 98 2HB LYS 98 -0.326 -0.115 9.952 786 HB3 LYS 98 3HB LYS 98 0.490 0.853 11.175 787 HG2 LYS 98 2HG LYS 98 -0.502 2.898 10.307 788 HG3 LYS 98 3HG LYS 98 -1.179 2.026 8.935 789 HD2 LYS 98 2HD LYS 98 -2.935 2.451 10.552 790 HD3 LYS 98 3HD LYS 98 -2.615 0.718 10.478 791 HE2 LYS 98 2HE LYS 98 -2.933 1.407 12.790 792 HE3 LYS 98 3HE LYS 98 -1.254 0.916 12.565 793 HZ1 LYS 98 3HZ LYS 98 -1.216 2.887 13.810 794 HZ2 LYS 98 1HZ LYS 98 -2.343 3.656 12.813 795 HZ3 LYS 98 2HZ LYS 98 -0.785 3.358 12.248 796 HA PRO 99 HA PRO 99 2.905 4.890 10.525 797 HB2 PRO 99 2HB PRO 99 5.521 4.294 11.449 798 HB3 PRO 99 3HB PRO 99 4.092 4.515 12.482 799 HG2 PRO 99 2HG PRO 99 5.297 1.960 11.455 800 HG3 PRO 99 3HG PRO 99 4.660 2.333 13.076 801 HD2 PRO 99 2HD PRO 99 3.191 0.898 11.392 802 HD3 PRO 99 3HD PRO 99 2.406 2.155 12.374 803 H GLU 100 H GLU 100 4.984 2.372 9.143 804 HA GLU 100 HA GLU 100 6.660 4.083 7.614 805 HB2 GLU 100 2HB GLU 100 6.122 1.136 7.082 806 HB3 GLU 100 3HB GLU 100 7.559 2.058 6.642 807 HG2 GLU 100 2HG GLU 100 6.678 1.230 9.426 808 HG3 GLU 100 3HG GLU 100 8.065 0.619 8.530 809 H ILE 101 H ILE 101 3.686 2.277 6.894 810 HA ILE 101 HA ILE 101 3.568 2.670 4.099 811 HB ILE 101 HB ILE 101 1.299 2.241 6.101 812 HG12 ILE 101 2HG1 ILE 101 2.654 0.223 4.254 813 HG13 ILE 101 3HG1 ILE 101 3.002 0.391 5.971 814 HG21 ILE 101 1HG2 ILE 101 -0.102 1.542 4.171 815 HG22 ILE 101 2HG2 ILE 101 1.198 1.997 3.066 816 HG23 ILE 101 3HG2 ILE 101 0.390 3.232 4.034 817 HD11 ILE 101 3HD1 ILE 101 1.536 -1.479 5.560 818 HD12 ILE 101 1HD1 ILE 101 0.359 -0.431 4.772 819 HD13 ILE 101 2HD1 ILE 101 0.695 -0.244 6.495 820 H ILE 102 H ILE 102 2.039 4.471 6.792 821 HA ILE 102 HA ILE 102 0.671 6.410 5.264 822 HB ILE 102 HB ILE 102 1.727 6.627 8.123 823 HG12 ILE 102 2HG1 ILE 102 -1.062 5.857 7.128 824 HG13 ILE 102 3HG1 ILE 102 0.152 4.707 7.680 825 HG21 ILE 102 1HG2 ILE 102 -0.396 8.337 6.753 826 HG22 ILE 102 2HG2 ILE 102 1.216 8.875 7.233 827 HG23 ILE 102 3HG2 ILE 102 0.040 8.415 8.464 828 HD11 ILE 102 3HD1 ILE 102 -1.464 5.102 9.408 829 HD12 ILE 102 1HD1 ILE 102 -1.167 6.841 9.348 830 HD13 ILE 102 2HD1 ILE 102 0.101 5.743 9.903 831 H ASP 103 H ASP 103 3.944 6.318 6.571 832 HA ASP 103 HA ASP 103 4.741 8.985 5.962 833 HB2 ASP 103 2HB ASP 103 5.861 7.547 7.666 834 HB3 ASP 103 3HB ASP 103 6.437 6.481 6.385 835 H LEU 104 H LEU 104 5.086 5.888 4.239 836 HA LEU 104 HA LEU 104 6.444 6.828 1.952 837 HB2 LEU 104 2HB LEU 104 4.628 4.437 2.416 838 HB3 LEU 104 3HB LEU 104 5.419 4.720 0.871 839 HG LEU 104 HG LEU 104 6.876 4.297 3.509 840 HD11 LEU 104 1HD1 LEU 104 6.544 2.383 1.184 841 HD12 LEU 104 2HD1 LEU 104 5.772 2.243 2.767 842 HD13 LEU 104 3HD1 LEU 104 7.525 2.116 2.630 843 HD21 LEU 104 3HD2 LEU 104 7.918 4.643 0.682 844 HD22 LEU 104 1HD2 LEU 104 8.889 4.104 2.054 845 HD23 LEU 104 2HD2 LEU 104 8.181 5.713 2.063 846 H LEU 105 H LEU 105 2.988 6.574 2.675 847 HA LEU 105 HA LEU 105 2.055 7.463 0.137 848 HB2 LEU 105 2HB LEU 105 0.790 7.057 2.836 849 HB3 LEU 105 3HB LEU 105 -0.075 8.043 1.670 850 HG LEU 105 HG LEU 105 -0.116 6.150 0.068 851 HD11 LEU 105 1HD1 LEU 105 0.515 3.882 0.729 852 HD12 LEU 105 2HD1 LEU 105 1.193 4.502 2.236 853 HD13 LEU 105 3HD1 LEU 105 1.910 4.959 0.690 854 HD21 LEU 105 3HD2 LEU 105 -1.991 6.478 1.597 855 HD22 LEU 105 1HD2 LEU 105 -1.221 5.430 2.791 856 HD23 LEU 105 2HD2 LEU 105 -1.753 4.768 1.241 857 H THR 106 H THR 106 3.308 9.125 2.947 858 HA THR 106 HA THR 106 2.236 11.715 2.375 859 HB THR 106 HB THR 106 4.606 10.811 4.064 860 HG1 THR 106 HG1 THR 106 2.098 10.505 4.517 861 HG21 THR 106 3HG2 THR 106 4.457 13.066 5.160 862 HG22 THR 106 1HG2 THR 106 3.343 13.565 3.891 863 HG23 THR 106 2HG2 THR 106 5.005 13.143 3.482 864 H LYS 107 H LYS 107 5.415 10.097 1.790 865 HA LYS 107 HA LYS 107 6.640 12.355 0.562 866 HB2 LYS 107 2HB LYS 107 8.454 10.829 -0.113 867 HB3 LYS 107 3HB LYS 107 8.014 10.592 1.576 868 HG2 LYS 107 2HG LYS 107 6.774 8.565 1.005 869 HG3 LYS 107 3HG LYS 107 7.103 8.811 -0.711 870 HD2 LYS 107 2HD LYS 107 9.258 8.351 1.391 871 HD3 LYS 107 3HD LYS 107 8.545 7.070 0.414 872 HE2 LYS 107 2HE LYS 107 9.391 8.156 -1.635 873 HE3 LYS 107 3HE LYS 107 10.099 9.451 -0.664 874 HZ1 LYS 107 3HZ LYS 107 10.837 6.574 -0.452 875 HZ2 LYS 107 1HZ LYS 107 11.551 7.861 0.381 876 HZ3 LYS 107 2HZ LYS 107 11.720 7.746 -1.295 877 H GLN 108 H GLN 108 4.828 9.581 -0.747 878 HA GLN 108 HA GLN 108 5.316 9.951 -3.484 879 HB2 GLN 108 2HB GLN 108 4.200 7.927 -2.707 880 HB3 GLN 108 3HB GLN 108 2.846 8.866 -2.073 881 HG2 GLN 108 2HG GLN 108 2.253 9.557 -4.389 882 HG3 GLN 108 3HG GLN 108 3.599 8.599 -5.002 883 HE21 GLN 108 1HE2 GLN 108 0.426 8.482 -3.555 884 HE22 GLN 108 2HE2 GLN 108 0.114 6.826 -3.929 885 H LEU 109 H LEU 109 2.581 11.137 -1.511 886 HA LEU 109 HA LEU 109 1.404 12.670 -3.619 887 HB2 LEU 109 2HB LEU 109 0.914 12.917 -0.625 888 HB3 LEU 109 3HB LEU 109 -0.137 13.511 -1.903 889 HG LEU 109 HG LEU 109 0.395 10.606 -1.168 890 HD11 LEU 109 1HD1 LEU 109 -2.147 12.249 -1.060 891 HD12 LEU 109 2HD1 LEU 109 -1.165 11.728 0.313 892 HD13 LEU 109 3HD1 LEU 109 -2.001 10.530 -0.670 893 HD21 LEU 109 3HD2 LEU 109 -1.246 11.625 -3.507 894 HD22 LEU 109 1HD2 LEU 109 -1.170 9.955 -2.940 895 HD23 LEU 109 2HD2 LEU 109 0.268 10.724 -3.596 896 H ALA 110 H ALA 110 3.921 13.329 -1.326 897 HA ALA 110 HA ALA 110 3.764 16.177 -1.261 898 HB1 ALA 110 3HB ALA 110 6.143 14.393 -0.635 899 HB2 ALA 110 1HB ALA 110 4.894 14.886 0.514 900 HB3 ALA 110 2HB ALA 110 5.974 16.094 -0.188 901 H TYR 111 H TYR 111 5.477 13.862 -3.342 902 HA TYR 111 HA TYR 111 6.705 16.097 -4.881 903 HB2 TYR 111 2HB TYR 111 7.480 13.158 -5.012 904 HB3 TYR 111 3HB TYR 111 8.374 14.528 -5.657 905 HD1 TYR 111 HD2 TYR 111 8.648 16.427 -3.486 906 HD2 TYR 111 HD1 TYR 111 8.694 12.156 -3.272 907 HE1 TYR 111 HE2 TYR 111 9.958 16.535 -1.406 908 HE2 TYR 111 HE1 TYR 111 9.997 12.265 -1.197 909 HH TYR 111 HH TYR 111 10.345 15.092 0.599 910 H GLY 112 H GLY 112 4.180 13.841 -5.007 911 HA2 GLY 112 2HA GLY 112 3.732 14.252 -7.889 912 HA3 GLY 112 3HA GLY 112 3.938 12.593 -7.323 913 H GLU 113 H GLU 113 1.753 12.256 -8.130 914 HA GLU 113 HA GLU 113 -0.361 13.027 -6.196 915 HB2 GLU 113 2HB GLU 113 -0.782 12.793 -9.218 916 HB3 GLU 113 3HB GLU 113 -1.992 13.249 -8.018 917 HG2 GLU 113 2HG GLU 113 -0.864 15.350 -7.601 918 HG3 GLU 113 3HG GLU 113 0.486 14.881 -8.635 919 H ASP 114 H ASP 114 0.299 10.978 -9.018 920 HA ASP 114 HA ASP 114 -1.513 8.907 -8.164 921 HB2 ASP 114 2HB ASP 114 -0.889 7.792 -10.299 922 HB3 ASP 114 3HB ASP 114 -1.399 9.460 -10.543 923 H VAL 115 H VAL 115 -0.756 6.638 -8.462 924 HA VAL 115 HA VAL 115 1.677 6.112 -6.880 925 HB VAL 115 HB VAL 115 -0.350 5.526 -5.651 926 HG11 VAL 115 1HG1 VAL 115 -1.919 5.267 -7.512 927 HG12 VAL 115 2HG1 VAL 115 -1.985 3.876 -6.432 928 HG13 VAL 115 3HG1 VAL 115 -1.142 3.752 -7.978 929 HG21 VAL 115 3HG2 VAL 115 0.976 2.977 -6.645 930 HG22 VAL 115 1HG2 VAL 115 0.034 3.146 -5.160 931 HG23 VAL 115 2HG2 VAL 115 1.563 4.010 -5.339 932 H ILE 116 H ILE 116 -0.251 5.129 -9.709 933 HA ILE 116 HA ILE 116 1.732 3.102 -10.492 934 HB ILE 116 HB ILE 116 -0.893 3.844 -11.871 935 HG12 ILE 116 2HG1 ILE 116 -1.308 2.904 -9.607 936 HG13 ILE 116 3HG1 ILE 116 -1.859 1.801 -10.860 937 HG21 ILE 116 1HG2 ILE 116 0.682 2.803 -13.429 938 HG22 ILE 116 2HG2 ILE 116 -0.638 1.687 -13.080 939 HG23 ILE 116 3HG2 ILE 116 0.938 1.456 -12.317 940 HD11 ILE 116 3HD1 ILE 116 0.154 0.427 -10.516 941 HD12 ILE 116 1HD1 ILE 116 -0.805 0.612 -9.048 942 HD13 ILE 116 2HD1 ILE 116 0.680 1.540 -9.246 943 H SER 117 H SER 117 -0.034 5.502 -12.532 944 HA SER 117 HA SER 117 2.446 6.564 -13.625 945 HB2 SER 117 2HB SER 117 0.570 4.894 -15.374 946 HB3 SER 117 3HB SER 117 1.951 5.829 -15.955 947 HG SER 117 HG SER 117 2.996 4.359 -14.144 948 H LYS 118 H LYS 118 2.136 8.338 -15.016 949 HA LYS 118 HA LYS 118 -0.604 9.443 -15.303 950 HB2 LYS 118 2HB LYS 118 0.307 11.729 -15.034 951 HB3 LYS 118 3HB LYS 118 0.553 10.774 -13.582 952 HG2 LYS 118 2HG LYS 118 2.752 11.180 -15.634 953 HG3 LYS 118 3HG LYS 118 2.466 12.328 -14.323 954 HD2 LYS 118 2HD LYS 118 2.854 10.510 -12.668 955 HD3 LYS 118 3HD LYS 118 3.158 9.380 -13.989 956 HE2 LYS 118 2HE LYS 118 5.272 10.129 -13.055 957 HE3 LYS 118 3HE LYS 118 5.098 10.765 -14.691 958 HZ1 LYS 118 3HZ LYS 118 4.572 12.287 -12.189 959 HZ2 LYS 118 1HZ LYS 118 4.449 12.896 -13.763 960 HZ3 LYS 118 2HZ LYS 118 5.952 12.424 -13.152 961 H GLU 119 H GLU 119 0.903 7.723 -17.042 962 HA GLU 119 HA GLU 119 1.190 9.437 -19.446 963 HB2 GLU 119 2HB GLU 119 3.405 8.577 -18.639 964 HB3 GLU 119 3HB GLU 119 2.805 6.930 -18.771 965 HG2 GLU 119 2HG GLU 119 4.205 7.435 -20.693 966 HG3 GLU 119 3HG GLU 119 2.535 7.227 -21.218 Start of MODEL 17 1 H1 MET 1 1H MET 1 -6.457 45.858 40.117 2 H2 MET 1 2H MET 1 -5.749 44.346 40.370 3 H3 MET 1 3H MET 1 -6.569 45.112 41.629 4 HA MET 1 HA MET 1 -7.877 43.333 40.687 5 HB2 MET 1 2HB MET 1 -9.000 46.107 40.065 6 HB3 MET 1 3HB MET 1 -9.956 44.644 40.281 7 HG2 MET 1 2HG MET 1 -10.106 45.957 42.287 8 HG3 MET 1 3HG MET 1 -9.137 44.530 42.648 9 HE1 MET 1 3HE MET 1 -7.384 48.786 42.117 10 HE2 MET 1 1HE MET 1 -9.105 48.405 42.006 11 HE3 MET 1 2HE MET 1 -7.993 47.860 40.748 12 H GLY 2 H GLY 2 -7.040 42.225 38.945 13 HA2 GLY 2 2HA GLY 2 -8.011 41.720 36.660 14 HA3 GLY 2 3HA GLY 2 -7.431 43.324 36.212 15 H HIS 3 H HIS 3 -6.670 40.170 35.900 16 HA HIS 3 HA HIS 3 -3.872 40.715 35.334 17 HB2 HIS 3 2HB HIS 3 -2.973 38.845 36.661 18 HB3 HIS 3 3HB HIS 3 -3.800 39.992 37.713 19 HD1 HIS 3 HD1 HIS 3 -6.383 39.176 38.325 20 HD2 HIS 3 HD2 HIS 3 -3.695 36.242 37.115 21 HE1 HIS 3 HE1 HIS 3 -7.365 37.002 39.111 22 HE2 HIS 3 HE2 HIS 3 -5.681 35.263 38.446 23 H HIS 4 H HIS 4 -3.746 40.093 33.274 24 HA HIS 4 HA HIS 4 -4.225 37.388 32.454 25 HB2 HIS 4 2HB HIS 4 -5.864 37.942 30.604 26 HB3 HIS 4 3HB HIS 4 -6.536 38.107 32.221 27 HD1 HIS 4 HD1 HIS 4 -5.886 40.000 29.119 28 HD2 HIS 4 HD2 HIS 4 -7.003 40.830 33.034 29 HE1 HIS 4 HE1 HIS 4 -6.780 42.345 29.083 30 HE2 HIS 4 HE2 HIS 4 -7.209 42.899 31.496 31 H HIS 5 H HIS 5 -2.356 37.066 31.462 32 HA HIS 5 HA HIS 5 -1.469 38.629 29.193 33 HB2 HIS 5 2HB HIS 5 0.779 39.164 30.169 34 HB3 HIS 5 3HB HIS 5 -0.524 39.984 31.023 35 HD1 HIS 5 HD1 HIS 5 2.112 37.361 31.471 36 HD2 HIS 5 HD2 HIS 5 -0.902 39.152 33.700 37 HE1 HIS 5 HE1 HIS 5 2.497 36.641 33.844 38 HE2 HIS 5 HE2 HIS 5 0.617 37.660 35.150 39 H HIS 6 H HIS 6 -2.396 36.042 29.394 40 HA HIS 6 HA HIS 6 -0.423 34.028 29.783 41 HB2 HIS 6 2HB HIS 6 -2.844 33.571 29.951 42 HB3 HIS 6 3HB HIS 6 -3.057 33.939 28.244 43 HD1 HIS 6 HD1 HIS 6 -1.448 31.339 30.499 44 HD2 HIS 6 HD2 HIS 6 -2.645 31.802 26.541 45 HE1 HIS 6 HE1 HIS 6 -1.226 29.068 29.446 46 HE2 HIS 6 HE2 HIS 6 -1.801 29.415 27.025 47 H HIS 7 H HIS 7 0.724 32.767 28.254 48 HA HIS 7 HA HIS 7 1.258 34.055 25.625 49 HB2 HIS 7 2HB HIS 7 3.090 32.278 27.303 50 HB3 HIS 7 3HB HIS 7 3.505 32.962 25.735 51 HD1 HIS 7 HD1 HIS 7 4.573 35.229 25.759 52 HD2 HIS 7 HD2 HIS 7 2.831 34.267 29.406 53 HE1 HIS 7 HE1 HIS 7 5.337 36.995 27.368 54 HE2 HIS 7 HE2 HIS 7 4.357 36.332 29.576 55 H HIS 8 H HIS 8 1.155 32.820 23.786 56 HA HIS 8 HA HIS 8 1.740 30.089 23.628 57 HB2 HIS 8 2HB HIS 8 -0.416 29.099 22.913 58 HB3 HIS 8 3HB HIS 8 -0.510 29.666 24.579 59 HD1 HIS 8 HD1 HIS 8 -2.331 29.720 21.478 60 HD2 HIS 8 HD2 HIS 8 -1.916 32.296 24.707 61 HE1 HIS 8 HE1 HIS 8 -4.285 31.286 21.350 62 HE2 HIS 8 HE2 HIS 8 -3.923 32.928 23.214 63 H SER 9 H SER 9 2.639 29.900 21.648 64 HA SER 9 HA SER 9 1.566 31.379 19.344 65 HB2 SER 9 2HB SER 9 4.465 31.597 20.271 66 HB3 SER 9 3HB SER 9 3.844 32.215 18.737 67 HG SER 9 HG SER 9 3.066 33.031 21.346 68 H HIS 10 H HIS 10 1.217 29.848 17.869 69 HA HIS 10 HA HIS 10 2.952 27.494 17.584 70 HB2 HIS 10 2HB HIS 10 0.356 28.296 16.182 71 HB3 HIS 10 3HB HIS 10 1.257 26.825 15.814 72 HD1 HIS 10 HD1 HIS 10 1.088 24.876 17.477 73 HD2 HIS 10 HD2 HIS 10 -1.009 28.258 18.680 74 HE1 HIS 10 HE1 HIS 10 -0.321 24.144 19.419 75 HE2 HIS 10 HE2 HIS 10 -1.726 26.149 19.987 76 H MET 11 H MET 11 4.285 27.128 15.802 77 HA MET 11 HA MET 11 4.428 29.059 13.624 78 HB2 MET 11 2HB MET 11 6.850 29.578 14.022 79 HB3 MET 11 3HB MET 11 5.787 30.220 15.263 80 HG2 MET 11 2HG MET 11 6.420 28.228 16.695 81 HG3 MET 11 3HG MET 11 7.633 27.837 15.478 82 HE1 MET 11 3HE MET 11 7.659 31.639 18.098 83 HE2 MET 11 1HE MET 11 6.508 30.317 18.293 84 HE3 MET 11 2HE MET 11 6.429 31.356 16.867 85 H ASN 12 H ASN 12 4.243 27.645 12.013 86 HA ASN 12 HA ASN 12 6.410 25.840 11.423 87 HB2 ASN 12 2HB ASN 12 5.052 24.360 12.870 88 HB3 ASN 12 3HB ASN 12 3.624 24.673 11.896 89 HD21 ASN 12 1HD2 ASN 12 6.796 23.130 11.894 90 HD22 ASN 12 2HD2 ASN 12 6.467 22.026 10.607 91 H SER 13 H SER 13 6.807 26.511 9.429 92 HA SER 13 HA SER 13 4.673 27.311 7.579 93 HB2 SER 13 2HB SER 13 6.687 28.757 7.894 94 HB3 SER 13 3HB SER 13 7.706 27.462 7.272 95 HG SER 13 HG SER 13 5.699 27.956 5.536 96 H GLN 14 H GLN 14 5.824 24.433 8.424 97 HA GLN 14 HA GLN 14 6.148 23.208 5.785 98 HB2 GLN 14 2HB GLN 14 6.101 21.980 8.590 99 HB3 GLN 14 3HB GLN 14 6.453 21.099 7.103 100 HG2 GLN 14 2HG GLN 14 8.482 22.404 6.758 101 HG3 GLN 14 3HG GLN 14 8.115 23.399 8.166 102 HE21 GLN 14 1HE2 GLN 14 10.484 21.772 7.633 103 HE22 GLN 14 2HE2 GLN 14 10.607 20.656 8.944 104 H ARG 15 H ARG 15 4.720 21.517 5.047 105 HA ARG 15 HA ARG 15 2.317 20.890 6.561 106 HB2 ARG 15 2HB ARG 15 0.698 21.420 4.899 107 HB3 ARG 15 3HB ARG 15 1.691 22.856 5.033 108 HG2 ARG 15 2HG ARG 15 1.925 20.804 2.808 109 HG3 ARG 15 3HG ARG 15 0.992 22.289 2.708 110 HD2 ARG 15 2HD ARG 15 3.104 23.594 3.024 111 HD3 ARG 15 3HD ARG 15 4.011 22.074 2.994 112 HE ARG 15 HE ARG 15 2.334 22.304 0.706 113 HH11 ARG 15 1HH1 ARG 15 5.427 23.489 1.938 114 HH12 ARG 15 2HH1 ARG 15 6.065 23.785 0.353 115 HH21 ARG 15 1HH2 ARG 15 3.189 22.764 -1.357 116 HH22 ARG 15 2HH2 ARG 15 4.809 23.375 -1.495 117 H LEU 16 H LEU 16 1.749 18.752 6.277 118 HA LEU 16 HA LEU 16 3.282 17.194 4.271 119 HB2 LEU 16 2HB LEU 16 3.343 15.320 5.885 120 HB3 LEU 16 3HB LEU 16 4.169 16.744 6.471 121 HG LEU 16 HG LEU 16 1.938 17.208 7.803 122 HD11 LEU 16 1HD1 LEU 16 0.715 15.207 8.530 123 HD12 LEU 16 2HD1 LEU 16 1.612 14.224 7.371 124 HD13 LEU 16 3HD1 LEU 16 0.526 15.492 6.801 125 HD21 LEU 16 3HD2 LEU 16 2.774 15.947 9.727 126 HD22 LEU 16 1HD2 LEU 16 4.092 16.728 8.855 127 HD23 LEU 16 2HD2 LEU 16 3.819 14.994 8.671 128 H ILE 17 H ILE 17 2.266 15.132 3.673 129 HA ILE 17 HA ILE 17 -0.442 15.619 2.817 130 HB ILE 17 HB ILE 17 1.528 13.384 2.249 131 HG12 ILE 17 2HG1 ILE 17 0.428 15.673 0.559 132 HG13 ILE 17 3HG1 ILE 17 2.033 15.600 1.278 133 HG21 ILE 17 1HG2 ILE 17 -0.744 12.405 2.141 134 HG22 ILE 17 2HG2 ILE 17 -0.010 12.501 0.541 135 HG23 ILE 17 3HG2 ILE 17 -1.235 13.676 1.016 136 HD11 ILE 17 3HD1 ILE 17 2.140 15.142 -1.055 137 HD12 ILE 17 1HD1 ILE 17 0.964 13.838 -0.909 138 HD13 ILE 17 2HD1 ILE 17 2.555 13.686 -0.156 139 H HIS 18 H HIS 18 -2.159 15.063 3.859 140 HA HIS 18 HA HIS 18 -2.081 13.469 6.276 141 HB2 HIS 18 2HB HIS 18 -4.367 14.984 4.935 142 HB3 HIS 18 3HB HIS 18 -4.414 14.286 6.556 143 HD1 HIS 18 HD1 HIS 18 -3.177 17.237 4.654 144 HD2 HIS 18 HD2 HIS 18 -2.812 15.674 8.491 145 HE1 HIS 18 HE1 HIS 18 -2.145 19.061 6.036 146 HE2 HIS 18 HE2 HIS 18 -1.808 18.048 8.309 147 H ILE 19 H ILE 19 -2.930 11.469 6.547 148 HA ILE 19 HA ILE 19 -4.265 10.085 4.302 149 HB ILE 19 HB ILE 19 -1.921 8.966 5.929 150 HG12 ILE 19 2HG1 ILE 19 -1.152 10.533 4.172 151 HG13 ILE 19 3HG1 ILE 19 -0.659 8.887 3.810 152 HG21 ILE 19 1HG2 ILE 19 -2.107 6.940 4.501 153 HG22 ILE 19 2HG2 ILE 19 -3.568 7.596 3.760 154 HG23 ILE 19 3HG2 ILE 19 -3.553 7.196 5.478 155 HD11 ILE 19 3HD1 ILE 19 -1.368 10.053 1.810 156 HD12 ILE 19 1HD1 ILE 19 -2.945 10.383 2.525 157 HD13 ILE 19 2HD1 ILE 19 -2.473 8.722 2.155 158 H LYS 20 H LYS 20 -6.084 9.212 5.056 159 HA LYS 20 HA LYS 20 -6.667 9.012 7.913 160 HB2 LYS 20 2HB LYS 20 -8.243 10.196 6.441 161 HB3 LYS 20 3HB LYS 20 -8.399 8.784 5.401 162 HG2 LYS 20 2HG LYS 20 -9.532 7.558 7.201 163 HG3 LYS 20 3HG LYS 20 -9.321 8.919 8.303 164 HD2 LYS 20 2HD LYS 20 -10.925 8.992 5.717 165 HD3 LYS 20 3HD LYS 20 -11.617 8.807 7.328 166 HE2 LYS 20 2HE LYS 20 -10.101 11.223 6.287 167 HE3 LYS 20 3HE LYS 20 -11.836 11.117 6.576 168 HZ1 LYS 20 3HZ LYS 20 -11.354 10.748 8.938 169 HZ2 LYS 20 1HZ LYS 20 -10.775 12.239 8.399 170 HZ3 LYS 20 2HZ LYS 20 -9.706 10.958 8.640 171 H THR 21 H THR 21 -7.157 7.085 8.908 172 HA THR 21 HA THR 21 -6.669 4.565 7.445 173 HB THR 21 HB THR 21 -6.795 5.076 10.456 174 HG1 THR 21 HG1 THR 21 -4.903 5.725 8.745 175 HG21 THR 21 3HG2 THR 21 -7.329 2.721 9.871 176 HG22 THR 21 1HG2 THR 21 -5.747 2.833 10.646 177 HG23 THR 21 2HG2 THR 21 -5.859 2.626 8.899 178 H LEU 22 H LEU 22 -8.386 3.436 6.834 179 HA LEU 22 HA LEU 22 -10.953 3.588 8.305 180 HB2 LEU 22 2HB LEU 22 -10.520 3.484 5.286 181 HB3 LEU 22 3HB LEU 22 -12.085 3.269 6.056 182 HG LEU 22 HG LEU 22 -10.412 5.809 6.195 183 HD11 LEU 22 1HD1 LEU 22 -11.297 5.428 3.939 184 HD12 LEU 22 2HD1 LEU 22 -12.061 6.814 4.709 185 HD13 LEU 22 3HD1 LEU 22 -12.933 5.282 4.591 186 HD21 LEU 22 3HD2 LEU 22 -12.417 6.835 7.211 187 HD22 LEU 22 1HD2 LEU 22 -11.757 5.538 8.207 188 HD23 LEU 22 2HD2 LEU 22 -13.208 5.257 7.242 189 H THR 23 H THR 23 -11.905 1.652 8.732 190 HA THR 23 HA THR 23 -10.418 -0.787 8.191 191 HB THR 23 HB THR 23 -12.083 -1.858 9.728 192 HG1 THR 23 HG1 THR 23 -13.951 -0.730 9.518 193 HG21 THR 23 3HG2 THR 23 -10.056 -0.809 10.711 194 HG22 THR 23 1HG2 THR 23 -11.441 -0.669 11.799 195 HG23 THR 23 2HG2 THR 23 -10.920 0.724 10.849 196 H THR 24 H THR 24 -11.175 -2.547 7.026 197 HA THR 24 HA THR 24 -13.464 -2.188 5.190 198 HB THR 24 HB THR 24 -12.259 -3.900 3.788 199 HG1 THR 24 HG1 THR 24 -10.172 -4.535 4.386 200 HG21 THR 24 3HG2 THR 24 -10.391 -2.478 3.012 201 HG22 THR 24 1HG2 THR 24 -10.516 -1.503 4.482 202 HG23 THR 24 2HG2 THR 24 -11.837 -1.514 3.312 203 HA PRO 25 HA PRO 25 -15.093 -6.074 7.126 204 HB2 PRO 25 2HB PRO 25 -16.179 -7.463 5.041 205 HB3 PRO 25 3HB PRO 25 -16.905 -5.955 5.627 206 HG2 PRO 25 2HG PRO 25 -15.079 -6.357 3.273 207 HG3 PRO 25 3HG PRO 25 -16.605 -5.446 3.364 208 HD2 PRO 25 2HD PRO 25 -14.199 -4.204 3.535 209 HD3 PRO 25 3HD PRO 25 -15.622 -3.628 4.432 210 H ASN 26 H ASN 26 -12.365 -6.141 6.922 211 HA ASN 26 HA ASN 26 -11.649 -8.897 6.587 212 HB2 ASN 26 2HB ASN 26 -11.550 -7.938 4.205 213 HB3 ASN 26 3HB ASN 26 -10.257 -6.882 4.757 214 HD21 ASN 26 1HD2 ASN 26 -10.165 -8.891 2.687 215 HD22 ASN 26 2HD2 ASN 26 -8.920 -10.005 3.124 216 H GLU 27 H GLU 27 -9.774 -9.334 7.794 217 HA GLU 27 HA GLU 27 -8.817 -7.141 9.527 218 HB2 GLU 27 2HB GLU 27 -8.063 -8.822 11.088 219 HB3 GLU 27 3HB GLU 27 -9.696 -9.234 10.610 220 HG2 GLU 27 2HG GLU 27 -7.167 -10.583 9.613 221 HG3 GLU 27 3HG GLU 27 -8.262 -11.218 10.830 222 H ASN 28 H ASN 28 -7.692 -9.455 7.138 223 HA ASN 28 HA ASN 28 -4.871 -8.714 7.426 224 HB2 ASN 28 2HB ASN 28 -6.296 -10.741 5.662 225 HB3 ASN 28 3HB ASN 28 -4.569 -10.411 5.534 226 HD21 ASN 28 1HD2 ASN 28 -5.918 -12.888 6.254 227 HD22 ASN 28 2HD2 ASN 28 -5.322 -13.324 7.814 228 H ALA 29 H ALA 29 -7.354 -7.183 6.099 229 HA ALA 29 HA ALA 29 -5.624 -5.788 4.167 230 HB1 ALA 29 3HB ALA 29 -7.504 -5.515 2.606 231 HB2 ALA 29 1HB ALA 29 -8.542 -6.481 3.656 232 HB3 ALA 29 2HB ALA 29 -7.153 -7.223 2.860 233 H LEU 30 H LEU 30 -5.510 -3.662 4.648 234 HA LEU 30 HA LEU 30 -7.714 -2.359 6.155 235 HB2 LEU 30 2HB LEU 30 -5.801 -2.822 7.683 236 HB3 LEU 30 3HB LEU 30 -4.729 -1.948 6.607 237 HG LEU 30 HG LEU 30 -6.047 0.155 7.091 238 HD11 LEU 30 1HD1 LEU 30 -8.173 -0.831 7.764 239 HD12 LEU 30 2HD1 LEU 30 -7.546 0.227 9.024 240 HD13 LEU 30 3HD1 LEU 30 -7.423 -1.526 9.205 241 HD21 LEU 30 3HD2 LEU 30 -3.935 -0.308 8.241 242 HD22 LEU 30 1HD2 LEU 30 -4.790 -1.202 9.502 243 HD23 LEU 30 2HD2 LEU 30 -5.053 0.535 9.307 244 H LYS 31 H LYS 31 -8.313 -0.451 5.398 245 HA LYS 31 HA LYS 31 -7.265 0.464 2.835 246 HB2 LYS 31 2HB LYS 31 -9.651 0.046 3.050 247 HB3 LYS 31 3HB LYS 31 -9.768 1.105 4.448 248 HG2 LYS 31 2HG LYS 31 -9.284 3.055 3.011 249 HG3 LYS 31 3HG LYS 31 -9.166 1.988 1.604 250 HD2 LYS 31 2HD LYS 31 -11.512 1.328 1.859 251 HD3 LYS 31 3HD LYS 31 -11.644 2.264 3.350 252 HE2 LYS 31 2HE LYS 31 -11.283 4.341 2.075 253 HE3 LYS 31 3HE LYS 31 -11.151 3.401 0.584 254 HZ1 LYS 31 3HZ LYS 31 -13.422 2.589 0.994 255 HZ2 LYS 31 1HZ LYS 31 -13.353 4.263 0.785 256 HZ3 LYS 31 2HZ LYS 31 -13.539 3.613 2.330 257 H PHE 32 H PHE 32 -6.026 2.195 2.657 258 HA PHE 32 HA PHE 32 -5.981 4.317 4.709 259 HB2 PHE 32 2HB PHE 32 -3.817 3.534 2.685 260 HB3 PHE 32 3HB PHE 32 -3.720 4.891 3.805 261 HD1 PHE 32 HD1 PHE 32 -3.740 4.415 6.311 262 HD2 PHE 32 HD2 PHE 32 -3.145 1.347 3.388 263 HE1 PHE 32 HE1 PHE 32 -2.772 2.951 8.030 264 HE2 PHE 32 HE2 PHE 32 -2.175 -0.105 5.122 265 HZ PHE 32 HZ PHE 32 -1.991 0.693 7.438 266 H LEU 33 H LEU 33 -7.027 6.051 4.057 267 HA LEU 33 HA LEU 33 -7.665 6.487 1.199 268 HB2 LEU 33 2HB LEU 33 -9.601 6.351 2.743 269 HB3 LEU 33 3HB LEU 33 -8.893 7.584 3.774 270 HG LEU 33 HG LEU 33 -9.098 9.197 1.780 271 HD11 LEU 33 1HD1 LEU 33 -10.880 7.029 0.654 272 HD12 LEU 33 2HD1 LEU 33 -9.343 7.584 -0.015 273 HD13 LEU 33 3HD1 LEU 33 -10.723 8.675 0.034 274 HD21 LEU 33 3HD2 LEU 33 -11.657 8.126 3.005 275 HD22 LEU 33 1HD2 LEU 33 -11.468 9.696 2.219 276 HD23 LEU 33 2HD2 LEU 33 -10.586 9.345 3.704 277 H SER 34 H SER 34 -6.540 8.123 0.203 278 HA SER 34 HA SER 34 -4.880 9.965 1.675 279 HB2 SER 34 2HB SER 34 -4.290 9.278 -0.642 280 HB3 SER 34 3HB SER 34 -5.767 10.026 -1.253 281 HG SER 34 HG SER 34 -4.097 11.462 -1.523 282 H THR 35 H THR 35 -5.876 11.427 2.946 283 HA THR 35 HA THR 35 -8.400 12.694 2.022 284 HB THR 35 HB THR 35 -8.625 11.468 4.136 285 HG1 THR 35 HG1 THR 35 -9.369 13.929 3.748 286 HG21 THR 35 3HG2 THR 35 -6.524 13.329 5.291 287 HG22 THR 35 1HG2 THR 35 -6.299 11.610 4.953 288 HG23 THR 35 2HG2 THR 35 -7.461 12.122 6.177 289 H ASP 36 H ASP 36 -5.465 13.309 1.431 290 HA ASP 36 HA ASP 36 -5.188 16.043 2.429 291 HB2 ASP 36 2HB ASP 36 -3.214 14.509 2.336 292 HB3 ASP 36 3HB ASP 36 -3.367 14.420 0.587 293 H GLY 37 H GLY 37 -5.330 14.339 -0.722 294 HA2 GLY 37 2HA GLY 37 -7.055 15.783 -2.185 295 HA3 GLY 37 3HA GLY 37 -5.643 16.836 -2.214 296 H GLU 38 H GLU 38 -4.059 14.130 -2.074 297 HA GLU 38 HA GLU 38 -3.596 14.037 -4.936 298 HB2 GLU 38 2HB GLU 38 -2.165 12.549 -2.690 299 HB3 GLU 38 3HB GLU 38 -1.609 12.729 -4.346 300 HG2 GLU 38 2HG GLU 38 -1.883 14.918 -2.287 301 HG3 GLU 38 3HG GLU 38 -0.379 14.232 -2.902 302 H MET 39 H MET 39 -5.045 12.819 -6.039 303 HA MET 39 HA MET 39 -6.118 10.328 -5.098 304 HB2 MET 39 2HB MET 39 -7.396 11.767 -6.635 305 HB3 MET 39 3HB MET 39 -6.173 11.570 -7.880 306 HG2 MET 39 2HG MET 39 -6.747 9.280 -8.202 307 HG3 MET 39 3HG MET 39 -7.716 9.237 -6.732 308 HE1 MET 39 3HE MET 39 -10.083 10.387 -6.475 309 HE2 MET 39 1HE MET 39 -10.831 11.376 -7.730 310 HE3 MET 39 2HE MET 39 -9.378 11.946 -6.911 311 H LEU 40 H LEU 40 -5.375 8.317 -5.448 312 HA LEU 40 HA LEU 40 -2.667 7.887 -6.052 313 HB2 LEU 40 2HB LEU 40 -4.975 5.934 -5.828 314 HB3 LEU 40 3HB LEU 40 -3.296 5.440 -5.959 315 HG LEU 40 HG LEU 40 -4.588 6.933 -3.648 316 HD11 LEU 40 1HD1 LEU 40 -3.275 4.205 -3.793 317 HD12 LEU 40 2HD1 LEU 40 -5.010 4.528 -3.718 318 HD13 LEU 40 3HD1 LEU 40 -3.981 4.956 -2.357 319 HD21 LEU 40 3HD2 LEU 40 -2.400 6.893 -2.519 320 HD22 LEU 40 1HD2 LEU 40 -2.345 7.875 -3.980 321 HD23 LEU 40 2HD2 LEU 40 -1.638 6.258 -3.979 322 H GLN 41 H GLN 41 -5.602 7.114 -7.929 323 HA GLN 41 HA GLN 41 -3.969 7.064 -10.389 324 HB2 GLN 41 2HB GLN 41 -4.442 4.721 -9.638 325 HB3 GLN 41 3HB GLN 41 -6.170 5.055 -9.741 326 HG2 GLN 41 2HG GLN 41 -5.934 5.477 -12.168 327 HG3 GLN 41 3HG GLN 41 -4.211 5.119 -12.057 328 HE21 GLN 41 1HE2 GLN 41 -7.422 3.790 -12.018 329 HE22 GLN 41 2HE2 GLN 41 -6.953 2.135 -12.182 330 H THR 42 H THR 42 -7.454 6.477 -9.912 331 HA THR 42 HA THR 42 -8.315 9.049 -10.875 332 HB THR 42 HB THR 42 -8.535 6.663 -12.799 333 HG1 THR 42 HG1 THR 42 -6.985 9.026 -12.811 334 HG21 THR 42 3HG2 THR 42 -9.661 9.473 -13.137 335 HG22 THR 42 1HG2 THR 42 -10.617 8.016 -12.863 336 HG23 THR 42 2HG2 THR 42 -9.695 8.199 -14.357 337 H ARG 43 H ARG 43 -10.551 9.291 -10.485 338 HA ARG 43 HA ARG 43 -11.898 7.304 -8.925 339 HB2 ARG 43 2HB ARG 43 -13.916 8.940 -9.180 340 HB3 ARG 43 3HB ARG 43 -12.515 9.442 -8.258 341 HG2 ARG 43 2HG ARG 43 -13.181 11.329 -9.502 342 HG3 ARG 43 3HG ARG 43 -11.736 10.720 -10.304 343 HD2 ARG 43 2HD ARG 43 -13.100 9.730 -12.076 344 HD3 ARG 43 3HD ARG 43 -14.583 10.207 -11.236 345 HE ARG 43 HE ARG 43 -13.130 12.533 -11.594 346 HH11 ARG 43 1HH1 ARG 43 -14.610 10.138 -13.720 347 HH12 ARG 43 2HH1 ARG 43 -14.879 11.278 -15.004 348 HH21 ARG 43 1HH2 ARG 43 -13.478 13.998 -13.285 349 HH22 ARG 43 2HH2 ARG 43 -14.237 13.466 -14.753 350 H GLY 44 H GLY 44 -13.683 6.040 -9.399 351 HA2 GLY 44 2HA GLY 44 -15.202 4.846 -10.662 352 HA3 GLY 44 3HA GLY 44 -14.839 5.859 -12.050 353 H SER 45 H SER 45 -12.216 4.321 -10.356 354 HA SER 45 HA SER 45 -11.626 2.637 -12.687 355 HB2 SER 45 2HB SER 45 -9.949 3.274 -10.217 356 HB3 SER 45 3HB SER 45 -9.396 2.354 -11.624 357 HG SER 45 HG SER 45 -10.274 5.054 -11.614 358 H LYS 46 H LYS 46 -11.046 0.399 -12.420 359 HA LYS 46 HA LYS 46 -12.289 -1.034 -10.167 360 HB2 LYS 46 2HB LYS 46 -11.088 -2.056 -12.789 361 HB3 LYS 46 3HB LYS 46 -11.906 -3.057 -11.593 362 HG2 LYS 46 2HG LYS 46 -14.020 -1.947 -12.007 363 HG3 LYS 46 3HG LYS 46 -13.240 -0.750 -13.041 364 HD2 LYS 46 2HD LYS 46 -12.684 -2.519 -14.678 365 HD3 LYS 46 3HD LYS 46 -13.463 -3.724 -13.647 366 HE2 LYS 46 2HE LYS 46 -14.931 -3.024 -15.502 367 HE3 LYS 46 3HE LYS 46 -15.630 -2.590 -13.941 368 HZ1 LYS 46 3HZ LYS 46 -14.160 -0.739 -15.751 369 HZ2 LYS 46 1HZ LYS 46 -14.852 -0.324 -14.266 370 HZ3 LYS 46 2HZ LYS 46 -15.835 -0.799 -15.552 371 H SER 47 H SER 47 -11.029 -1.918 -8.590 372 HA SER 47 HA SER 47 -8.507 -0.825 -8.129 373 HB2 SER 47 2HB SER 47 -9.885 -3.127 -6.719 374 HB3 SER 47 3HB SER 47 -8.497 -2.242 -6.087 375 HG SER 47 HG SER 47 -9.931 -0.324 -6.385 376 H ILE 48 H ILE 48 -6.534 -1.374 -8.784 377 HA ILE 48 HA ILE 48 -5.999 -3.889 -10.188 378 HB ILE 48 HB ILE 48 -4.186 -1.481 -9.682 379 HG12 ILE 48 2HG1 ILE 48 -5.828 -2.168 -12.168 380 HG13 ILE 48 3HG1 ILE 48 -6.184 -0.874 -11.029 381 HG21 ILE 48 1HG2 ILE 48 -2.883 -3.519 -10.155 382 HG22 ILE 48 2HG2 ILE 48 -2.756 -2.372 -11.487 383 HG23 ILE 48 3HG2 ILE 48 -3.806 -3.783 -11.638 384 HD11 ILE 48 3HD1 ILE 48 -5.167 -0.004 -13.025 385 HD12 ILE 48 1HD1 ILE 48 -3.759 -1.044 -12.813 386 HD13 ILE 48 2HD1 ILE 48 -4.096 0.241 -11.648 387 H VAL 49 H VAL 49 -4.887 -5.586 -9.305 388 HA VAL 49 HA VAL 49 -3.815 -5.329 -6.571 389 HB VAL 49 HB VAL 49 -4.403 -7.855 -8.193 390 HG11 VAL 49 1HG1 VAL 49 -4.119 -9.074 -6.064 391 HG12 VAL 49 2HG1 VAL 49 -3.655 -7.576 -5.257 392 HG13 VAL 49 3HG1 VAL 49 -2.634 -8.243 -6.533 393 HG21 VAL 49 3HG2 VAL 49 -6.471 -6.628 -7.657 394 HG22 VAL 49 1HG2 VAL 49 -6.026 -6.590 -5.947 395 HG23 VAL 49 2HG2 VAL 49 -6.381 -8.128 -6.736 396 H ILE 50 H ILE 50 -1.757 -4.711 -6.573 397 HA ILE 50 HA ILE 50 0.212 -5.582 -8.556 398 HB ILE 50 HB ILE 50 0.389 -3.643 -6.192 399 HG12 ILE 50 2HG1 ILE 50 0.411 -3.130 -9.201 400 HG13 ILE 50 3HG1 ILE 50 -0.924 -2.788 -8.106 401 HG21 ILE 50 1HG2 ILE 50 2.578 -4.298 -8.202 402 HG22 ILE 50 2HG2 ILE 50 2.583 -4.720 -6.489 403 HG23 ILE 50 3HG2 ILE 50 2.650 -3.028 -6.979 404 HD11 ILE 50 3HD1 ILE 50 0.249 -0.771 -8.661 405 HD12 ILE 50 1HD1 ILE 50 1.773 -1.448 -8.095 406 HD13 ILE 50 2HD1 ILE 50 0.468 -1.129 -6.949 407 H LYS 51 H LYS 51 1.041 -7.538 -8.172 408 HA LYS 51 HA LYS 51 0.928 -8.809 -5.562 409 HB2 LYS 51 2HB LYS 51 2.100 -9.883 -8.168 410 HB3 LYS 51 3HB LYS 51 1.546 -10.820 -6.785 411 HG2 LYS 51 2HG LYS 51 -0.770 -10.259 -7.243 412 HG3 LYS 51 3HG LYS 51 -0.291 -9.116 -8.501 413 HD2 LYS 51 2HD LYS 51 0.673 -11.024 -9.816 414 HD3 LYS 51 3HD LYS 51 0.069 -12.139 -8.585 415 HE2 LYS 51 2HE LYS 51 -2.235 -11.481 -9.075 416 HE3 LYS 51 3HE LYS 51 -1.672 -10.272 -10.232 417 HZ1 LYS 51 3HZ LYS 51 -0.680 -12.113 -11.534 418 HZ2 LYS 51 1HZ LYS 51 -2.366 -12.207 -11.414 419 HZ3 LYS 51 2HZ LYS 51 -1.396 -13.221 -10.474 420 H ASN 52 H ASN 52 2.730 -9.400 -4.292 421 HA ASN 52 HA ASN 52 5.166 -7.959 -4.506 422 HB2 ASN 52 2HB ASN 52 5.931 -9.257 -2.598 423 HB3 ASN 52 3HB ASN 52 4.245 -8.831 -2.352 424 HD21 ASN 52 1HD2 ASN 52 5.782 -10.942 -1.108 425 HD22 ASN 52 2HD2 ASN 52 4.961 -12.420 -1.455 426 H THR 53 H THR 53 4.142 -11.066 -5.697 427 HA THR 53 HA THR 53 6.774 -12.016 -6.438 428 HB THR 53 HB THR 53 4.966 -13.588 -5.747 429 HG1 THR 53 HG1 THR 53 5.989 -13.907 -8.395 430 HG21 THR 53 3HG2 THR 53 3.646 -12.889 -8.395 431 HG22 THR 53 1HG2 THR 53 3.038 -12.432 -6.806 432 HG23 THR 53 2HG2 THR 53 3.120 -14.135 -7.261 433 H ASP 54 H ASP 54 4.514 -9.861 -7.803 434 HA ASP 54 HA ASP 54 5.481 -10.295 -10.570 435 HB2 ASP 54 2HB ASP 54 2.945 -10.218 -10.064 436 HB3 ASP 54 3HB ASP 54 3.151 -8.501 -9.747 437 H GLU 55 H GLU 55 7.502 -9.389 -10.084 438 HA GLU 55 HA GLU 55 8.045 -6.929 -8.898 439 HB2 GLU 55 2HB GLU 55 10.284 -7.131 -9.728 440 HB3 GLU 55 3HB GLU 55 9.718 -8.753 -9.375 441 HG2 GLU 55 2HG GLU 55 9.999 -7.484 -12.103 442 HG3 GLU 55 3HG GLU 55 11.014 -8.752 -11.423 443 H ASN 56 H ASN 56 6.889 -7.576 -12.121 444 HA ASN 56 HA ASN 56 7.728 -5.206 -13.434 445 HB2 ASN 56 2HB ASN 56 6.967 -7.166 -14.702 446 HB3 ASN 56 3HB ASN 56 5.349 -7.031 -14.013 447 HD21 ASN 56 1HD2 ASN 56 3.958 -5.423 -14.791 448 HD22 ASN 56 2HD2 ASN 56 4.278 -4.522 -16.230 449 H LEU 57 H LEU 57 4.593 -6.046 -11.897 450 HA LEU 57 HA LEU 57 3.312 -3.547 -12.278 451 HB2 LEU 57 2HB LEU 57 2.867 -5.720 -10.196 452 HB3 LEU 57 3HB LEU 57 1.844 -4.299 -10.307 453 HG LEU 57 HG LEU 57 2.164 -6.398 -12.488 454 HD11 LEU 57 1HD1 LEU 57 -0.130 -7.081 -11.932 455 HD12 LEU 57 2HD1 LEU 57 -0.166 -5.925 -10.598 456 HD13 LEU 57 3HD1 LEU 57 0.953 -7.289 -10.557 457 HD21 LEU 57 3HD2 LEU 57 0.308 -5.247 -13.621 458 HD22 LEU 57 1HD2 LEU 57 1.707 -4.190 -13.441 459 HD23 LEU 57 2HD2 LEU 57 0.312 -3.994 -12.377 460 H ILE 58 H ILE 58 5.417 -4.788 -9.775 461 HA ILE 58 HA ILE 58 5.208 -2.716 -7.858 462 HB ILE 58 HB ILE 58 7.553 -4.592 -8.417 463 HG12 ILE 58 2HG1 ILE 58 5.270 -4.891 -6.408 464 HG13 ILE 58 3HG1 ILE 58 5.429 -5.795 -7.908 465 HG21 ILE 58 1HG2 ILE 58 6.965 -2.945 -5.936 466 HG22 ILE 58 2HG2 ILE 58 8.293 -2.694 -7.070 467 HG23 ILE 58 3HG2 ILE 58 8.246 -4.149 -6.078 468 HD11 ILE 58 3HD1 ILE 58 7.498 -6.815 -7.056 469 HD12 ILE 58 1HD1 ILE 58 6.101 -7.140 -6.031 470 HD13 ILE 58 2HD1 ILE 58 7.287 -5.935 -5.540 471 H ASN 59 H ASN 59 7.519 -3.260 -10.543 472 HA ASN 59 HA ASN 59 9.163 -1.014 -10.114 473 HB2 ASN 59 2HB ASN 59 8.628 -2.656 -12.619 474 HB3 ASN 59 3HB ASN 59 9.817 -1.356 -12.582 475 HD21 ASN 59 1HD2 ASN 59 10.112 -4.300 -12.965 476 HD22 ASN 59 2HD2 ASN 59 11.277 -4.786 -11.786 477 H HIS 60 H HIS 60 6.115 -1.318 -11.826 478 HA HIS 60 HA HIS 60 6.274 1.267 -13.121 479 HB2 HIS 60 2HB HIS 60 4.054 -0.796 -12.866 480 HB3 HIS 60 3HB HIS 60 3.844 0.728 -13.723 481 HD1 HIS 60 HD1 HIS 60 3.619 -0.173 -16.064 482 HD2 HIS 60 HD2 HIS 60 7.024 -1.614 -14.170 483 HE1 HIS 60 HE1 HIS 60 4.929 -1.367 -17.838 484 HE2 HIS 60 HE2 HIS 60 7.073 -2.020 -16.717 485 H SER 61 H SER 61 5.669 0.367 -9.975 486 HA SER 61 HA SER 61 4.227 2.876 -9.396 487 HB2 SER 61 2HB SER 61 3.017 1.599 -7.545 488 HB3 SER 61 3HB SER 61 2.532 1.178 -9.187 489 HG SER 61 HG SER 61 4.302 -0.535 -8.843 490 H LYS 62 H LYS 62 5.827 4.058 -8.519 491 HA LYS 62 HA LYS 62 8.147 3.270 -7.268 492 HB2 LYS 62 2HB LYS 62 7.668 5.557 -8.122 493 HB3 LYS 62 3HB LYS 62 6.553 5.827 -6.787 494 HG2 LYS 62 2HG LYS 62 8.673 6.955 -6.377 495 HG3 LYS 62 3HG LYS 62 8.434 5.671 -5.187 496 HD2 LYS 62 2HD LYS 62 9.983 4.209 -6.403 497 HD3 LYS 62 3HD LYS 62 10.148 5.410 -7.687 498 HE2 LYS 62 2HE LYS 62 11.003 5.809 -4.803 499 HE3 LYS 62 3HE LYS 62 12.076 5.421 -6.146 500 HZ1 LYS 62 3HZ LYS 62 12.063 7.794 -5.641 501 HZ2 LYS 62 1HZ LYS 62 10.405 7.866 -5.964 502 HZ3 LYS 62 2HZ LYS 62 11.491 7.493 -7.203 503 H LEU 63 H LEU 63 4.997 3.912 -5.800 504 HA LEU 63 HA LEU 63 5.686 3.820 -3.079 505 HB2 LEU 63 2HB LEU 63 3.479 4.584 -4.066 506 HB3 LEU 63 3HB LEU 63 3.045 2.903 -4.267 507 HG LEU 63 HG LEU 63 3.160 2.578 -1.804 508 HD11 LEU 63 1HD1 LEU 63 3.737 5.549 -1.658 509 HD12 LEU 63 2HD1 LEU 63 4.843 4.237 -1.240 510 HD13 LEU 63 3HD1 LEU 63 3.384 4.487 -0.290 511 HD21 LEU 63 3HD2 LEU 63 1.349 4.874 -2.622 512 HD22 LEU 63 1HD2 LEU 63 1.139 3.836 -1.209 513 HD23 LEU 63 2HD2 LEU 63 1.010 3.155 -2.826 514 H ALA 64 H ALA 64 4.774 1.205 -5.333 515 HA ALA 64 HA ALA 64 4.437 -0.851 -3.418 516 HB1 ALA 64 3HB ALA 64 3.535 -1.012 -5.698 517 HB2 ALA 64 1HB ALA 64 4.559 -2.395 -5.324 518 HB3 ALA 64 2HB ALA 64 5.172 -1.097 -6.357 519 H GLN 65 H GLN 65 7.185 0.137 -5.440 520 HA GLN 65 HA GLN 65 9.069 -1.778 -4.717 521 HB2 GLN 65 2HB GLN 65 9.462 1.170 -5.383 522 HB3 GLN 65 3HB GLN 65 10.784 0.013 -5.252 523 HG2 GLN 65 2HG GLN 65 9.879 -1.276 -7.124 524 HG3 GLN 65 3HG GLN 65 8.507 -0.178 -7.244 525 HE21 GLN 65 1HE2 GLN 65 10.695 -0.890 -9.161 526 HE22 GLN 65 2HE2 GLN 65 11.346 0.630 -9.657 527 H GLN 66 H GLN 66 8.375 1.365 -3.170 528 HA GLN 66 HA GLN 66 10.240 1.198 -1.089 529 HB2 GLN 66 2HB GLN 66 7.610 2.713 -1.293 530 HB3 GLN 66 3HB GLN 66 8.789 2.969 -0.016 531 HG2 GLN 66 2HG GLN 66 9.313 3.407 -2.968 532 HG3 GLN 66 3HG GLN 66 8.928 4.673 -1.807 533 HE21 GLN 66 1HE2 GLN 66 11.377 2.436 -2.893 534 HE22 GLN 66 2HE2 GLN 66 12.690 3.141 -2.019 535 H ILE 67 H ILE 67 6.790 0.169 -1.154 536 HA ILE 67 HA ILE 67 6.552 -0.395 1.617 537 HB ILE 67 HB ILE 67 4.884 -1.333 -0.765 538 HG12 ILE 67 2HG1 ILE 67 4.356 0.787 1.376 539 HG13 ILE 67 3HG1 ILE 67 4.768 1.099 -0.304 540 HG21 ILE 67 1HG2 ILE 67 3.144 -2.079 0.825 541 HG22 ILE 67 2HG2 ILE 67 4.225 -1.739 2.176 542 HG23 ILE 67 3HG2 ILE 67 4.633 -3.009 1.022 543 HD11 ILE 67 3HD1 ILE 67 2.637 0.081 -0.996 544 HD12 ILE 67 1HD1 ILE 67 2.418 1.462 0.077 545 HD13 ILE 67 2HD1 ILE 67 2.223 -0.175 0.702 546 H PHE 68 H PHE 68 7.119 -2.543 -1.197 547 HA PHE 68 HA PHE 68 7.323 -4.934 0.343 548 HB2 PHE 68 2HB PHE 68 8.205 -4.341 -2.514 549 HB3 PHE 68 3HB PHE 68 8.221 -5.947 -1.792 550 HD1 PHE 68 HD1 PHE 68 5.773 -6.372 -0.461 551 HD2 PHE 68 HD2 PHE 68 6.409 -4.087 -4.017 552 HE1 PHE 68 HE1 PHE 68 3.431 -6.721 -1.122 553 HE2 PHE 68 HE2 PHE 68 4.058 -4.440 -4.664 554 HZ PHE 68 HZ PHE 68 2.567 -5.755 -3.213 555 H LEU 69 H LEU 69 9.686 -2.525 -0.692 556 HA LEU 69 HA LEU 69 12.087 -3.915 -0.124 557 HB2 LEU 69 2HB LEU 69 12.040 -1.817 -1.407 558 HB3 LEU 69 3HB LEU 69 11.418 -0.938 -0.022 559 HG LEU 69 HG LEU 69 13.603 -1.320 1.161 560 HD11 LEU 69 1HD1 LEU 69 15.569 -2.097 -0.110 561 HD12 LEU 69 2HD1 LEU 69 14.521 -2.526 -1.465 562 HD13 LEU 69 3HD1 LEU 69 14.352 -3.357 0.083 563 HD21 LEU 69 3HD2 LEU 69 13.189 0.782 -0.034 564 HD22 LEU 69 1HD2 LEU 69 13.836 0.089 -1.524 565 HD23 LEU 69 2HD2 LEU 69 14.891 0.340 -0.129 566 H GLN 70 H GLN 70 10.032 -1.800 1.847 567 HA GLN 70 HA GLN 70 11.770 -2.018 4.177 568 HB2 GLN 70 2HB GLN 70 9.237 -0.412 3.641 569 HB3 GLN 70 3HB GLN 70 10.133 -0.358 5.159 570 HG2 GLN 70 2HG GLN 70 12.126 0.486 3.970 571 HG3 GLN 70 3HG GLN 70 11.248 0.409 2.443 572 HE21 GLN 70 1HE2 GLN 70 11.640 2.626 2.131 573 HE22 GLN 70 2HE2 GLN 70 10.778 3.837 3.006 574 H CYS 71 H CYS 71 8.919 -3.612 2.978 575 HA CYS 71 HA CYS 71 8.841 -5.245 5.387 576 HB2 CYS 71 2HB CYS 71 7.140 -3.520 5.849 577 HB3 CYS 71 3HB CYS 71 6.356 -3.852 4.306 578 HG CYS 71 HG CYS 71 6.279 -5.652 7.184 579 HA PRO 72 HA PRO 72 8.230 -8.098 1.807 580 HB2 PRO 72 2HB PRO 72 9.536 -10.224 2.849 581 HB3 PRO 72 3HB PRO 72 10.433 -8.831 2.213 582 HG2 PRO 72 2HG PRO 72 9.758 -9.473 5.069 583 HG3 PRO 72 3HG PRO 72 11.314 -8.956 4.376 584 HD2 PRO 72 2HD PRO 72 9.584 -7.214 5.604 585 HD3 PRO 72 3HD PRO 72 10.692 -6.720 4.302 586 H GLY 73 H GLY 73 6.832 -7.746 4.793 587 HA2 GLY 73 2HA GLY 73 5.479 -10.255 5.136 588 HA3 GLY 73 3HA GLY 73 5.099 -8.734 5.925 589 H VAL 74 H VAL 74 4.929 -7.384 3.242 590 HA VAL 74 HA VAL 74 2.088 -7.720 2.925 591 HB VAL 74 HB VAL 74 3.998 -6.005 1.262 592 HG11 VAL 74 1HG1 VAL 74 1.988 -4.668 0.738 593 HG12 VAL 74 2HG1 VAL 74 0.984 -5.799 1.646 594 HG13 VAL 74 3HG1 VAL 74 1.815 -6.333 0.182 595 HG21 VAL 74 3HG2 VAL 74 4.222 -5.439 3.644 596 HG22 VAL 74 1HG2 VAL 74 2.471 -5.239 3.786 597 HG23 VAL 74 2HG2 VAL 74 3.410 -4.139 2.774 598 H GLU 75 H GLU 75 1.055 -8.923 1.472 599 HA GLU 75 HA GLU 75 2.507 -10.666 -0.366 600 HB2 GLU 75 2HB GLU 75 -0.454 -10.608 0.371 601 HB3 GLU 75 3HB GLU 75 0.370 -11.889 -0.514 602 HG2 GLU 75 2HG GLU 75 1.772 -12.346 1.511 603 HG3 GLU 75 3HG GLU 75 0.862 -11.117 2.386 604 H SER 76 H SER 76 0.115 -8.061 -0.433 605 HA SER 76 HA SER 76 0.698 -7.385 -3.148 606 HB2 SER 76 2HB SER 76 -1.616 -7.763 -4.072 607 HB3 SER 76 3HB SER 76 -0.782 -9.265 -3.667 608 HG SER 76 HG SER 76 -1.977 -9.296 -1.705 609 H LEU 77 H LEU 77 -0.523 -5.536 -3.914 610 HA LEU 77 HA LEU 77 -1.672 -3.814 -1.790 611 HB2 LEU 77 2HB LEU 77 -0.197 -2.934 -4.315 612 HB3 LEU 77 3HB LEU 77 -0.781 -1.890 -3.029 613 HG LEU 77 HG LEU 77 1.496 -3.890 -2.811 614 HD11 LEU 77 1HD1 LEU 77 2.072 -1.930 -4.150 615 HD12 LEU 77 2HD1 LEU 77 2.945 -1.943 -2.622 616 HD13 LEU 77 3HD1 LEU 77 1.563 -0.861 -2.836 617 HD21 LEU 77 3HD2 LEU 77 0.329 -3.717 -0.675 618 HD22 LEU 77 1HD2 LEU 77 0.481 -1.958 -0.715 619 HD23 LEU 77 2HD2 LEU 77 1.922 -2.971 -0.587 620 H MET 78 H MET 78 -3.741 -3.163 -2.222 621 HA MET 78 HA MET 78 -4.838 -3.601 -4.935 622 HB2 MET 78 2HB MET 78 -6.007 -4.838 -3.168 623 HB3 MET 78 3HB MET 78 -6.267 -3.364 -2.243 624 HG2 MET 78 2HG MET 78 -7.831 -2.532 -3.835 625 HG3 MET 78 3HG MET 78 -7.363 -3.727 -5.041 626 HE1 MET 78 3HE MET 78 -8.252 -6.163 -5.153 627 HE2 MET 78 1HE MET 78 -9.015 -6.989 -3.794 628 HE3 MET 78 2HE MET 78 -7.327 -6.489 -3.684 629 H ILE 79 H ILE 79 -4.590 -1.825 -6.062 630 HA ILE 79 HA ILE 79 -4.456 0.839 -4.933 631 HB ILE 79 HB ILE 79 -4.265 -0.127 -7.836 632 HG12 ILE 79 2HG1 ILE 79 -2.416 -1.023 -6.474 633 HG13 ILE 79 3HG1 ILE 79 -1.826 0.156 -7.634 634 HG21 ILE 79 1HG2 ILE 79 -3.594 2.613 -6.686 635 HG22 ILE 79 2HG2 ILE 79 -4.938 2.224 -7.764 636 HG23 ILE 79 3HG2 ILE 79 -3.280 2.088 -8.342 637 HD11 ILE 79 3HD1 ILE 79 -0.705 0.365 -5.504 638 HD12 ILE 79 1HD1 ILE 79 -2.243 0.619 -4.686 639 HD13 ILE 79 2HD1 ILE 79 -1.648 1.816 -5.838 640 H GLY 80 H GLY 80 -6.428 1.637 -4.410 641 HA2 GLY 80 2HA GLY 80 -8.779 1.248 -6.103 642 HA3 GLY 80 3HA GLY 80 -8.691 2.109 -4.568 643 H ASP 81 H ASP 81 -10.036 3.629 -5.828 644 HA ASP 81 HA ASP 81 -9.029 5.254 -7.902 645 HB2 ASP 81 2HB ASP 81 -11.121 5.896 -5.767 646 HB3 ASP 81 3HB ASP 81 -10.841 6.866 -7.208 647 H ASP 82 H ASP 82 -9.529 6.075 -4.506 648 HA ASP 82 HA ASP 82 -7.195 7.909 -4.476 649 HB2 ASP 82 2HB ASP 82 -9.356 9.120 -4.776 650 HB3 ASP 82 3HB ASP 82 -9.993 8.341 -3.340 651 H PHE 83 H PHE 83 -8.067 5.064 -3.467 652 HA PHE 83 HA PHE 83 -7.119 5.302 -0.682 653 HB2 PHE 83 2HB PHE 83 -8.815 3.636 0.031 654 HB3 PHE 83 3HB PHE 83 -9.565 5.099 -0.589 655 HD1 PHE 83 HD2 PHE 83 -10.692 5.074 -2.849 656 HD2 PHE 83 HD1 PHE 83 -9.200 1.486 -1.048 657 HE1 PHE 83 HE2 PHE 83 -12.056 3.724 -4.394 658 HE2 PHE 83 HE1 PHE 83 -10.567 0.149 -2.597 659 HZ PHE 83 HZ PHE 83 -11.991 1.264 -4.270 660 H LEU 84 H LEU 84 -6.156 3.333 0.140 661 HA LEU 84 HA LEU 84 -5.154 1.438 -1.895 662 HB2 LEU 84 2HB LEU 84 -3.401 3.104 -1.617 663 HB3 LEU 84 3HB LEU 84 -3.512 3.016 0.132 664 HG LEU 84 HG LEU 84 -2.589 0.711 0.081 665 HD11 LEU 84 1HD1 LEU 84 -2.304 1.081 -2.909 666 HD12 LEU 84 2HD1 LEU 84 -3.382 -0.050 -2.089 667 HD13 LEU 84 3HD1 LEU 84 -1.636 -0.253 -1.962 668 HD21 LEU 84 3HD2 LEU 84 -1.075 2.611 0.366 669 HD22 LEU 84 1HD2 LEU 84 -0.860 2.725 -1.382 670 HD23 LEU 84 2HD2 LEU 84 -0.285 1.301 -0.508 671 H THR 85 H THR 85 -5.613 -0.552 -1.224 672 HA THR 85 HA THR 85 -6.036 -1.086 1.652 673 HB THR 85 HB THR 85 -7.062 -2.666 -0.752 674 HG1 THR 85 HG1 THR 85 -7.897 -0.340 0.042 675 HG21 THR 85 3HG2 THR 85 -7.803 -2.814 2.199 676 HG22 THR 85 1HG2 THR 85 -6.872 -4.025 1.313 677 HG23 THR 85 2HG2 THR 85 -8.560 -3.733 0.897 678 H ILE 86 H ILE 86 -4.300 -2.001 2.557 679 HA ILE 86 HA ILE 86 -2.261 -3.372 0.961 680 HB ILE 86 HB ILE 86 -2.309 -2.779 3.962 681 HG12 ILE 86 2HG1 ILE 86 -2.432 -0.697 2.554 682 HG13 ILE 86 3HG1 ILE 86 -0.986 -0.796 3.543 683 HG21 ILE 86 1HG2 ILE 86 0.018 -3.551 2.161 684 HG22 ILE 86 2HG2 ILE 86 -0.733 -4.568 3.392 685 HG23 ILE 86 3HG2 ILE 86 0.139 -3.111 3.866 686 HD11 ILE 86 3HD1 ILE 86 -0.484 0.087 1.369 687 HD12 ILE 86 1HD1 ILE 86 -1.162 -1.340 0.589 688 HD13 ILE 86 2HD1 ILE 86 0.301 -1.478 1.570 689 H ASN 87 H ASN 87 -2.171 -5.553 0.808 690 HA ASN 87 HA ASN 87 -3.628 -7.250 2.756 691 HB2 ASN 87 2HB ASN 87 -2.691 -7.779 -0.098 692 HB3 ASN 87 3HB ASN 87 -3.224 -9.061 0.979 693 HD21 ASN 87 1HD2 ASN 87 -4.727 -5.834 0.788 694 HD22 ASN 87 2HD2 ASN 87 -6.224 -6.397 0.152 695 H LYS 88 H LYS 88 -2.335 -7.873 4.347 696 HA LYS 88 HA LYS 88 0.555 -8.396 3.852 697 HB2 LYS 88 2HB LYS 88 0.601 -8.275 6.528 698 HB3 LYS 88 3HB LYS 88 0.702 -6.829 5.541 699 HG2 LYS 88 2HG LYS 88 -0.771 -6.519 7.475 700 HG3 LYS 88 3HG LYS 88 -1.620 -6.307 5.949 701 HD2 LYS 88 2HD LYS 88 -3.134 -7.483 7.314 702 HD3 LYS 88 3HD LYS 88 -2.464 -8.713 6.250 703 HE2 LYS 88 2HE LYS 88 -2.608 -9.654 8.444 704 HE3 LYS 88 3HE LYS 88 -0.900 -9.335 8.144 705 HZ1 LYS 88 3HZ LYS 88 -1.497 -8.645 10.356 706 HZ2 LYS 88 1HZ LYS 88 -2.745 -7.660 9.773 707 HZ3 LYS 88 2HZ LYS 88 -1.134 -7.276 9.439 708 H ASP 89 H ASP 89 1.528 -10.096 5.200 709 HA ASP 89 HA ASP 89 0.164 -12.586 5.001 710 HB2 ASP 89 2HB ASP 89 2.643 -12.313 4.814 711 HB3 ASP 89 3HB ASP 89 2.721 -11.907 6.525 712 H ARG 90 H ARG 90 -0.627 -13.900 6.615 713 HA ARG 90 HA ARG 90 -2.288 -12.709 8.490 714 HB2 ARG 90 2HB ARG 90 -2.744 -15.032 9.269 715 HB3 ARG 90 3HB ARG 90 -2.773 -14.870 7.517 716 HG2 ARG 90 2HG ARG 90 -0.512 -15.856 7.365 717 HG3 ARG 90 3HG ARG 90 -0.459 -15.996 9.125 718 HD2 ARG 90 2HD ARG 90 -2.392 -17.426 7.269 719 HD3 ARG 90 3HD ARG 90 -1.029 -18.149 8.136 720 HE ARG 90 HE ARG 90 -2.556 -17.020 10.099 721 HH11 ARG 90 1HH1 ARG 90 -3.212 -19.452 7.620 722 HH12 ARG 90 2HH1 ARG 90 -4.434 -20.237 8.567 723 HH21 ARG 90 1HH2 ARG 90 -4.193 -18.021 11.283 724 HH22 ARG 90 2HH2 ARG 90 -4.987 -19.425 10.641 725 H MET 91 H MET 91 1.007 -13.839 8.936 726 HA MET 91 HA MET 91 0.885 -13.855 11.849 727 HB2 MET 91 2HB MET 91 3.128 -14.338 9.846 728 HB3 MET 91 3HB MET 91 3.432 -14.270 11.580 729 HG2 MET 91 2HG MET 91 1.577 -16.239 10.214 730 HG3 MET 91 3HG MET 91 3.207 -16.579 10.778 731 HE1 MET 91 3HE MET 91 3.309 -15.008 13.593 732 HE2 MET 91 1HE MET 91 3.909 -16.655 13.368 733 HE3 MET 91 2HE MET 91 2.796 -16.294 14.684 734 H VAL 92 H VAL 92 1.798 -11.567 9.344 735 HA VAL 92 HA VAL 92 3.556 -10.011 11.121 736 HB VAL 92 HB VAL 92 2.845 -9.390 8.205 737 HG11 VAL 92 1HG1 VAL 92 3.842 -7.518 9.467 738 HG12 VAL 92 2HG1 VAL 92 4.940 -8.102 8.221 739 HG13 VAL 92 3HG1 VAL 92 5.220 -8.529 9.909 740 HG21 VAL 92 3HG2 VAL 92 3.787 -11.650 8.289 741 HG22 VAL 92 1HG2 VAL 92 5.165 -11.076 9.233 742 HG23 VAL 92 2HG2 VAL 92 4.945 -10.537 7.565 743 H HIS 93 H HIS 93 2.859 -8.171 12.155 744 HA HIS 93 HA HIS 93 -0.049 -7.676 12.029 745 HB2 HIS 93 2HB HIS 93 1.872 -6.741 14.200 746 HB3 HIS 93 3HB HIS 93 0.126 -6.916 14.294 747 HD1 HIS 93 HD1 HIS 93 -0.796 -9.417 14.457 748 HD2 HIS 93 HD2 HIS 93 3.328 -9.024 14.816 749 HE1 HIS 93 HE1 HIS 93 0.021 -11.592 15.399 750 HE2 HIS 93 HE2 HIS 93 2.506 -11.353 15.552 751 H TRP 94 H TRP 94 -0.918 -5.536 12.104 752 HA TRP 94 HA TRP 94 0.246 -3.649 10.350 753 HB2 TRP 94 2HB TRP 94 -2.035 -3.301 12.341 754 HB3 TRP 94 3HB TRP 94 -1.633 -2.135 11.085 755 HD1 TRP 94 HD1 TRP 94 -3.802 -5.087 11.685 756 HE1 TRP 94 HE1 TRP 94 -4.874 -5.877 9.485 757 HE3 TRP 94 HE3 TRP 94 -0.935 -2.410 8.404 758 HZ2 TRP 94 HZ2 TRP 94 -4.540 -5.425 6.723 759 HZ3 TRP 94 HZ3 TRP 94 -1.371 -2.643 5.996 760 HH2 TRP 94 HH2 TRP 94 -3.137 -4.120 5.179 761 H ASN 95 H ASN 95 0.495 -4.004 13.798 762 HA ASN 95 HA ASN 95 1.050 -1.466 14.738 763 HB2 ASN 95 2HB ASN 95 2.303 -4.093 15.652 764 HB3 ASN 95 3HB ASN 95 2.352 -2.591 16.572 765 HD21 ASN 95 1HD2 ASN 95 1.202 -5.184 17.315 766 HD22 ASN 95 2HD2 ASN 95 -0.458 -4.876 17.677 767 H SER 96 H SER 96 3.219 -3.619 12.993 768 HA SER 96 HA SER 96 5.521 -1.834 13.276 769 HB2 SER 96 2HB SER 96 6.675 -3.641 11.916 770 HB3 SER 96 3HB SER 96 5.974 -4.214 13.430 771 HG SER 96 HG SER 96 4.379 -5.219 12.335 772 H ILE 97 H ILE 97 3.209 -2.884 10.741 773 HA ILE 97 HA ILE 97 4.941 -1.962 8.601 774 HB ILE 97 HB ILE 97 2.066 -2.871 8.151 775 HG12 ILE 97 2HG1 ILE 97 4.419 -4.786 8.482 776 HG13 ILE 97 3HG1 ILE 97 3.166 -4.545 9.693 777 HG21 ILE 97 1HG2 ILE 97 2.956 -3.704 6.024 778 HG22 ILE 97 2HG2 ILE 97 4.595 -3.262 6.502 779 HG23 ILE 97 3HG2 ILE 97 3.390 -2.006 6.231 780 HD11 ILE 97 3HD1 ILE 97 1.472 -5.321 8.061 781 HD12 ILE 97 1HD1 ILE 97 2.692 -6.537 8.432 782 HD13 ILE 97 2HD1 ILE 97 2.773 -5.652 6.912 783 H LYS 98 H LYS 98 1.789 -1.074 9.985 784 HA LYS 98 HA LYS 98 0.782 0.605 8.065 785 HB2 LYS 98 2HB LYS 98 -0.693 -0.161 9.750 786 HB3 LYS 98 3HB LYS 98 0.303 0.475 11.054 787 HG2 LYS 98 2HG LYS 98 -0.324 2.778 10.408 788 HG3 LYS 98 3HG LYS 98 -1.308 2.140 9.088 789 HD2 LYS 98 2HD LYS 98 -2.811 1.044 10.675 790 HD3 LYS 98 3HD LYS 98 -1.780 1.520 12.030 791 HE2 LYS 98 2HE LYS 98 -3.243 3.456 10.201 792 HE3 LYS 98 3HE LYS 98 -3.792 2.959 11.800 793 HZ1 LYS 98 3HZ LYS 98 -1.240 4.364 11.246 794 HZ2 LYS 98 1HZ LYS 98 -1.834 3.944 12.772 795 HZ3 LYS 98 2HZ LYS 98 -2.641 5.096 11.834 796 HA PRO 99 HA PRO 99 2.470 4.658 10.323 797 HB2 PRO 99 2HB PRO 99 4.942 4.368 11.589 798 HB3 PRO 99 3HB PRO 99 3.382 4.322 12.428 799 HG2 PRO 99 2HG PRO 99 5.053 2.011 11.477 800 HG3 PRO 99 3HG PRO 99 4.241 2.235 13.043 801 HD2 PRO 99 2HD PRO 99 3.143 0.680 11.178 802 HD3 PRO 99 3HD PRO 99 2.115 1.767 12.151 803 H GLU 100 H GLU 100 4.727 2.230 9.164 804 HA GLU 100 HA GLU 100 6.502 4.045 7.844 805 HB2 GLU 100 2HB GLU 100 6.295 0.999 7.804 806 HB3 GLU 100 3HB GLU 100 7.622 1.930 7.098 807 HG2 GLU 100 2HG GLU 100 8.144 2.864 9.353 808 HG3 GLU 100 3HG GLU 100 6.847 1.900 10.036 809 H ILE 101 H ILE 101 3.735 2.048 6.870 810 HA ILE 101 HA ILE 101 3.953 2.401 4.049 811 HB ILE 101 HB ILE 101 1.503 1.877 5.805 812 HG12 ILE 101 2HG1 ILE 101 3.092 0.028 3.970 813 HG13 ILE 101 3HG1 ILE 101 3.152 0.031 5.730 814 HG21 ILE 101 1HG2 ILE 101 0.233 1.293 3.760 815 HG22 ILE 101 2HG2 ILE 101 1.584 1.833 2.763 816 HG23 ILE 101 3HG2 ILE 101 0.708 2.994 3.762 817 HD11 ILE 101 3HD1 ILE 101 0.763 -0.677 4.037 818 HD12 ILE 101 1HD1 ILE 101 0.795 -0.639 5.803 819 HD13 ILE 101 2HD1 ILE 101 1.800 -1.790 4.923 820 H ILE 102 H ILE 102 2.081 4.132 6.544 821 HA ILE 102 HA ILE 102 0.854 6.061 4.928 822 HB ILE 102 HB ILE 102 1.611 6.219 7.880 823 HG12 ILE 102 2HG1 ILE 102 -1.035 5.473 6.536 824 HG13 ILE 102 3HG1 ILE 102 0.070 4.346 7.311 825 HG21 ILE 102 1HG2 ILE 102 1.233 8.490 7.029 826 HG22 ILE 102 2HG2 ILE 102 -0.085 8.009 8.094 827 HG23 ILE 102 3HG2 ILE 102 -0.316 7.997 6.346 828 HD11 ILE 102 3HD1 ILE 102 -1.809 4.803 8.742 829 HD12 ILE 102 1HD1 ILE 102 -1.486 6.535 8.681 830 HD13 ILE 102 2HD1 ILE 102 -0.339 5.449 9.469 831 H ASP 103 H ASP 103 3.992 6.065 6.554 832 HA ASP 103 HA ASP 103 4.872 8.677 6.051 833 HB2 ASP 103 2HB ASP 103 6.049 7.175 7.579 834 HB3 ASP 103 3HB ASP 103 6.424 6.058 6.270 835 H LEU 104 H LEU 104 5.185 5.732 4.074 836 HA LEU 104 HA LEU 104 6.575 6.876 1.885 837 HB2 LEU 104 2HB LEU 104 4.822 4.396 2.035 838 HB3 LEU 104 3HB LEU 104 5.883 4.779 0.687 839 HG LEU 104 HG LEU 104 6.836 4.290 3.533 840 HD11 LEU 104 1HD1 LEU 104 7.663 2.114 2.755 841 HD12 LEU 104 2HD1 LEU 104 6.905 2.379 1.182 842 HD13 LEU 104 3HD1 LEU 104 5.907 2.231 2.631 843 HD21 LEU 104 3HD2 LEU 104 9.079 4.182 2.537 844 HD22 LEU 104 1HD2 LEU 104 8.331 5.761 2.314 845 HD23 LEU 104 2HD2 LEU 104 8.409 4.623 0.967 846 H LEU 105 H LEU 105 3.121 6.546 2.610 847 HA LEU 105 HA LEU 105 2.141 7.515 0.094 848 HB2 LEU 105 2HB LEU 105 0.898 7.119 2.824 849 HB3 LEU 105 3HB LEU 105 0.044 8.092 1.643 850 HG LEU 105 HG LEU 105 -0.007 6.146 0.082 851 HD11 LEU 105 1HD1 LEU 105 1.964 4.936 0.832 852 HD12 LEU 105 2HD1 LEU 105 0.540 3.901 0.831 853 HD13 LEU 105 3HD1 LEU 105 1.163 4.539 2.356 854 HD21 LEU 105 3HD2 LEU 105 -1.233 5.593 2.803 855 HD22 LEU 105 1HD2 LEU 105 -1.736 4.869 1.271 856 HD23 LEU 105 2HD2 LEU 105 -1.927 6.600 1.531 857 H THR 106 H THR 106 3.539 9.089 2.875 858 HA THR 106 HA THR 106 2.463 11.721 2.286 859 HB THR 106 HB THR 106 4.686 10.911 4.226 860 HG1 THR 106 HG1 THR 106 2.293 10.108 4.389 861 HG21 THR 106 3HG2 THR 106 4.126 12.997 5.421 862 HG22 THR 106 1HG2 THR 106 2.925 13.396 4.193 863 HG23 THR 106 2HG2 THR 106 4.639 13.353 3.770 864 H LYS 107 H LYS 107 5.433 9.830 1.780 865 HA LYS 107 HA LYS 107 7.027 11.932 0.697 866 HB2 LYS 107 2HB LYS 107 7.269 8.897 0.661 867 HB3 LYS 107 3HB LYS 107 8.428 9.917 -0.184 868 HG2 LYS 107 2HG LYS 107 9.040 11.008 1.926 869 HG3 LYS 107 3HG LYS 107 7.865 10.017 2.794 870 HD2 LYS 107 2HD LYS 107 9.116 8.013 2.416 871 HD3 LYS 107 3HD LYS 107 10.128 8.783 1.186 872 HE2 LYS 107 2HE LYS 107 11.304 8.445 3.361 873 HE3 LYS 107 3HE LYS 107 11.241 10.131 2.859 874 HZ1 LYS 107 3HZ LYS 107 9.479 10.525 4.422 875 HZ2 LYS 107 1HZ LYS 107 10.777 9.809 5.233 876 HZ3 LYS 107 2HZ LYS 107 9.415 8.896 4.847 877 H GLN 108 H GLN 108 5.496 9.094 -0.945 878 HA GLN 108 HA GLN 108 6.498 9.695 -3.482 879 HB2 GLN 108 2HB GLN 108 5.618 7.448 -2.805 880 HB3 GLN 108 3HB GLN 108 3.983 8.098 -2.879 881 HG2 GLN 108 2HG GLN 108 4.629 8.725 -5.366 882 HG3 GLN 108 3HG GLN 108 5.900 7.524 -5.141 883 HE21 GLN 108 1HE2 GLN 108 2.626 7.362 -3.775 884 HE22 GLN 108 2HE2 GLN 108 2.125 6.000 -4.700 885 H LEU 109 H LEU 109 3.268 10.311 -2.149 886 HA LEU 109 HA LEU 109 2.050 11.361 -4.450 887 HB2 LEU 109 2HB LEU 109 1.404 11.848 -1.516 888 HB3 LEU 109 3HB LEU 109 0.354 12.309 -2.842 889 HG LEU 109 HG LEU 109 1.098 9.459 -2.072 890 HD11 LEU 109 1HD1 LEU 109 -0.469 10.473 -0.485 891 HD12 LEU 109 2HD1 LEU 109 -1.265 9.214 -1.424 892 HD13 LEU 109 3HD1 LEU 109 -1.558 10.914 -1.805 893 HD21 LEU 109 3HD2 LEU 109 -0.491 8.727 -3.789 894 HD22 LEU 109 1HD2 LEU 109 0.827 9.656 -4.501 895 HD23 LEU 109 2HD2 LEU 109 -0.759 10.403 -4.277 896 H ALA 110 H ALA 110 4.199 12.870 -2.137 897 HA ALA 110 HA ALA 110 3.678 15.620 -2.795 898 HB1 ALA 110 3HB ALA 110 4.695 14.976 -0.647 899 HB2 ALA 110 1HB ALA 110 5.737 16.103 -1.520 900 HB3 ALA 110 2HB ALA 110 6.125 14.379 -1.486 901 H TYR 111 H TYR 111 5.790 13.126 -4.075 902 HA TYR 111 HA TYR 111 7.160 14.925 -5.935 903 HB2 TYR 111 2HB TYR 111 7.269 11.878 -5.670 904 HB3 TYR 111 3HB TYR 111 8.293 12.841 -6.730 905 HD1 TYR 111 HD2 TYR 111 9.912 14.531 -5.657 906 HD2 TYR 111 HD1 TYR 111 7.909 11.515 -3.390 907 HE1 TYR 111 HE2 TYR 111 11.558 14.786 -3.847 908 HE2 TYR 111 HE1 TYR 111 9.554 11.771 -1.582 909 HH TYR 111 HH TYR 111 11.792 14.363 -1.469 910 H GLY 112 H GLY 112 4.410 12.796 -5.860 911 HA2 GLY 112 2HA GLY 112 3.257 13.603 -8.277 912 HA3 GLY 112 3HA GLY 112 4.142 12.112 -8.587 913 H GLU 113 H GLU 113 1.167 13.183 -7.967 914 HA GLU 113 HA GLU 113 0.096 11.575 -5.923 915 HB2 GLU 113 2HB GLU 113 -2.090 12.151 -6.795 916 HB3 GLU 113 3HB GLU 113 -1.050 13.559 -6.862 917 HG2 GLU 113 2HG GLU 113 -1.671 11.802 -9.249 918 HG3 GLU 113 3HG GLU 113 -2.549 13.265 -8.850 919 H ASP 114 H ASP 114 0.836 10.841 -9.265 920 HA ASP 114 HA ASP 114 -0.587 8.446 -9.590 921 HB2 ASP 114 2HB ASP 114 2.030 9.403 -10.791 922 HB3 ASP 114 3HB ASP 114 1.340 7.843 -11.215 923 H VAL 115 H VAL 115 -0.563 7.044 -7.872 924 HA VAL 115 HA VAL 115 1.700 6.045 -6.519 925 HB VAL 115 HB VAL 115 -0.572 5.628 -5.655 926 HG11 VAL 115 1HG1 VAL 115 -0.958 3.679 -7.951 927 HG12 VAL 115 2HG1 VAL 115 -1.767 5.236 -7.780 928 HG13 VAL 115 3HG1 VAL 115 -2.079 3.953 -6.612 929 HG21 VAL 115 3HG2 VAL 115 0.902 3.040 -6.249 930 HG22 VAL 115 1HG2 VAL 115 -0.290 3.277 -4.967 931 HG23 VAL 115 2HG2 VAL 115 1.243 4.149 -4.922 932 H ILE 116 H ILE 116 -0.030 4.834 -9.369 933 HA ILE 116 HA ILE 116 2.312 3.250 -10.192 934 HB ILE 116 HB ILE 116 -0.461 3.327 -11.507 935 HG12 ILE 116 2HG1 ILE 116 0.623 1.208 -9.583 936 HG13 ILE 116 3HG1 ILE 116 -0.608 2.398 -9.181 937 HG21 ILE 116 1HG2 ILE 116 0.290 1.264 -12.668 938 HG22 ILE 116 2HG2 ILE 116 1.864 1.391 -11.880 939 HG23 ILE 116 3HG2 ILE 116 1.351 2.630 -13.026 940 HD11 ILE 116 3HD1 ILE 116 -0.873 0.189 -11.218 941 HD12 ILE 116 1HD1 ILE 116 -2.106 1.399 -10.848 942 HD13 ILE 116 2HD1 ILE 116 -1.601 0.246 -9.614 943 H SER 117 H SER 117 3.512 5.172 -10.594 944 HA SER 117 HA SER 117 2.730 7.111 -12.557 945 HB2 SER 117 2HB SER 117 5.301 7.591 -12.440 946 HB3 SER 117 3HB SER 117 4.337 7.876 -10.996 947 HG SER 117 HG SER 117 5.571 6.518 -10.022 948 H LYS 118 H LYS 118 2.237 6.317 -14.530 949 HA LYS 118 HA LYS 118 3.347 3.953 -15.631 950 HB2 LYS 118 2HB LYS 118 2.098 4.521 -17.711 951 HB3 LYS 118 3HB LYS 118 1.104 4.561 -16.265 952 HG2 LYS 118 2HG LYS 118 0.988 6.957 -16.282 953 HG3 LYS 118 3HG LYS 118 2.259 7.073 -17.502 954 HD2 LYS 118 2HD LYS 118 0.063 7.501 -18.511 955 HD3 LYS 118 3HD LYS 118 0.776 6.034 -19.172 956 HE2 LYS 118 2HE LYS 118 -1.592 5.670 -18.786 957 HE3 LYS 118 3HE LYS 118 -0.671 4.688 -17.648 958 HZ1 LYS 118 3HZ LYS 118 -1.061 6.410 -15.963 959 HZ2 LYS 118 1HZ LYS 118 -2.500 5.739 -16.540 960 HZ3 LYS 118 2HZ LYS 118 -2.012 7.271 -17.061 961 H GLU 119 H GLU 119 3.831 7.371 -16.479 962 HA GLU 119 HA GLU 119 6.547 7.293 -16.967 963 HB2 GLU 119 2HB GLU 119 6.031 5.867 -18.947 964 HB3 GLU 119 3HB GLU 119 4.933 7.095 -19.560 965 HG2 GLU 119 2HG GLU 119 7.084 7.112 -20.755 966 HG3 GLU 119 3HG GLU 119 6.802 8.634 -19.911 Start of MODEL 18 1 H1 MET 1 1H MET 1 37.787 18.541 23.497 2 H2 MET 1 2H MET 1 37.593 19.729 22.312 3 H3 MET 1 3H MET 1 38.899 19.808 23.386 4 HA MET 1 HA MET 1 39.569 19.049 21.199 5 HB2 MET 1 2HB MET 1 40.807 17.011 21.986 6 HB3 MET 1 3HB MET 1 40.897 18.341 23.124 7 HG2 MET 1 2HG MET 1 39.191 17.242 24.538 8 HG3 MET 1 3HG MET 1 39.119 15.898 23.402 9 HE1 MET 1 3HE MET 1 42.315 15.609 22.658 10 HE2 MET 1 1HE MET 1 41.231 14.245 22.958 11 HE3 MET 1 2HE MET 1 42.756 14.370 23.832 12 H GLY 2 H GLY 2 39.032 17.913 19.368 13 HA2 GLY 2 2HA GLY 2 37.776 15.481 19.079 14 HA3 GLY 2 3HA GLY 2 36.458 16.638 19.237 15 H HIS 3 H HIS 3 39.306 15.779 17.319 16 HA HIS 3 HA HIS 3 38.725 17.668 15.187 17 HB2 HIS 3 2HB HIS 3 41.078 17.124 15.846 18 HB3 HIS 3 3HB HIS 3 40.834 15.457 15.345 19 HD1 HIS 3 HD1 HIS 3 41.358 14.931 12.949 20 HD2 HIS 3 HD2 HIS 3 41.017 19.016 13.614 21 HE1 HIS 3 HE1 HIS 3 42.055 16.028 10.801 22 HE2 HIS 3 HE2 HIS 3 41.663 18.475 11.180 23 H HIS 4 H HIS 4 36.550 16.796 14.866 24 HA HIS 4 HA HIS 4 36.448 14.822 12.696 25 HB2 HIS 4 2HB HIS 4 34.825 14.566 15.273 26 HB3 HIS 4 3HB HIS 4 34.355 13.763 13.776 27 HD1 HIS 4 HD1 HIS 4 36.760 13.542 16.620 28 HD2 HIS 4 HD2 HIS 4 36.041 11.592 13.016 29 HE1 HIS 4 HE1 HIS 4 38.139 11.443 16.692 30 HE2 HIS 4 HE2 HIS 4 37.834 10.401 14.427 31 H HIS 5 H HIS 5 34.513 14.987 11.435 32 HA HIS 5 HA HIS 5 32.634 17.119 11.783 33 HB2 HIS 5 2HB HIS 5 33.276 18.434 9.752 34 HB3 HIS 5 3HB HIS 5 34.471 18.532 11.031 35 HD1 HIS 5 HD1 HIS 5 34.975 19.109 7.936 36 HD2 HIS 5 HD2 HIS 5 36.068 15.654 9.991 37 HE1 HIS 5 HE1 HIS 5 36.899 18.123 6.654 38 HE2 HIS 5 HE2 HIS 5 37.531 16.044 7.909 39 H HIS 6 H HIS 6 30.905 15.974 11.274 40 HA HIS 6 HA HIS 6 30.928 14.110 8.974 41 HB2 HIS 6 2HB HIS 6 29.068 14.208 11.397 42 HB3 HIS 6 3HB HIS 6 28.986 13.021 10.096 43 HD1 HIS 6 HD1 HIS 6 30.362 13.456 13.385 44 HD2 HIS 6 HD2 HIS 6 31.566 11.468 9.936 45 HE1 HIS 6 HE1 HIS 6 32.101 11.804 14.125 46 HE2 HIS 6 HE2 HIS 6 32.663 10.495 12.055 47 H HIS 7 H HIS 7 29.316 14.249 7.411 48 HA HIS 7 HA HIS 7 28.049 16.860 7.070 49 HB2 HIS 7 2HB HIS 7 28.060 14.420 5.221 50 HB3 HIS 7 3HB HIS 7 27.442 16.016 4.802 51 HD1 HIS 7 HD1 HIS 7 29.195 17.899 4.353 52 HD2 HIS 7 HD2 HIS 7 30.866 14.165 5.124 53 HE1 HIS 7 HE1 HIS 7 31.601 18.075 3.673 54 HE2 HIS 7 HE2 HIS 7 32.561 15.789 4.057 55 H HIS 8 H HIS 8 26.085 17.203 7.936 56 HA HIS 8 HA HIS 8 24.062 15.029 7.981 57 HB2 HIS 8 2HB HIS 8 24.631 17.078 10.173 58 HB3 HIS 8 3HB HIS 8 23.189 16.068 10.136 59 HD1 HIS 8 HD1 HIS 8 25.990 16.175 12.060 60 HD2 HIS 8 HD2 HIS 8 24.449 13.139 9.669 61 HE1 HIS 8 HE1 HIS 8 26.950 14.033 12.971 62 HE2 HIS 8 HE2 HIS 8 25.939 12.216 11.551 63 H SER 9 H SER 9 22.198 15.542 7.057 64 HA SER 9 HA SER 9 21.096 18.226 7.031 65 HB2 SER 9 2HB SER 9 21.803 16.803 4.414 66 HB3 SER 9 3HB SER 9 20.725 18.197 4.521 67 HG SER 9 HG SER 9 22.869 18.944 5.773 68 H HIS 10 H HIS 10 19.504 17.231 8.321 69 HA HIS 10 HA HIS 10 17.790 15.171 7.082 70 HB2 HIS 10 2HB HIS 10 18.029 16.211 9.932 71 HB3 HIS 10 3HB HIS 10 16.643 15.256 9.420 72 HD1 HIS 10 HD1 HIS 10 19.616 14.736 11.170 73 HD2 HIS 10 HD2 HIS 10 17.808 12.733 8.014 74 HE1 HIS 10 HE1 HIS 10 20.577 12.419 11.195 75 HE2 HIS 10 HE2 HIS 10 19.343 11.194 9.384 76 H MET 11 H MET 11 16.032 15.783 6.020 77 HA MET 11 HA MET 11 15.063 18.517 6.053 78 HB2 MET 11 2HB MET 11 14.057 16.085 4.504 79 HB3 MET 11 3HB MET 11 13.485 17.731 4.273 80 HG2 MET 11 2HG MET 11 15.008 17.278 2.499 81 HG3 MET 11 3HG MET 11 15.852 18.352 3.609 82 HE1 MET 11 3HE MET 11 15.211 14.410 3.811 83 HE2 MET 11 1HE MET 11 16.733 13.828 3.147 84 HE3 MET 11 2HE MET 11 15.609 14.722 2.120 85 H ASN 12 H ASN 12 14.572 18.309 8.379 86 HA ASN 12 HA ASN 12 12.356 16.705 9.299 87 HB2 ASN 12 2HB ASN 12 13.939 18.929 10.661 88 HB3 ASN 12 3HB ASN 12 12.739 17.918 11.467 89 HD21 ASN 12 1HD2 ASN 12 15.698 18.243 11.868 90 HD22 ASN 12 2HD2 ASN 12 16.323 16.632 11.820 91 H SER 13 H SER 13 12.819 19.990 8.165 92 HA SER 13 HA SER 13 10.178 20.942 8.759 93 HB2 SER 13 2HB SER 13 10.807 22.773 7.108 94 HB3 SER 13 3HB SER 13 11.950 22.576 8.436 95 HG SER 13 HG SER 13 12.220 21.703 5.750 96 H GLN 14 H GLN 14 8.842 19.290 8.070 97 HA GLN 14 HA GLN 14 8.067 19.326 5.274 98 HB2 GLN 14 2HB GLN 14 8.017 16.754 5.182 99 HB3 GLN 14 3HB GLN 14 9.593 17.514 5.033 100 HG2 GLN 14 2HG GLN 14 9.922 15.629 6.411 101 HG3 GLN 14 3HG GLN 14 9.960 17.014 7.495 102 HE21 GLN 14 1HE2 GLN 14 9.455 15.837 9.322 103 HE22 GLN 14 2HE2 GLN 14 7.914 15.104 9.587 104 H ARG 15 H ARG 15 5.921 18.683 4.949 105 HA ARG 15 HA ARG 15 4.287 18.457 7.395 106 HB2 ARG 15 2HB ARG 15 3.591 19.347 4.567 107 HB3 ARG 15 3HB ARG 15 2.381 19.084 5.820 108 HG2 ARG 15 2HG ARG 15 4.615 21.145 5.873 109 HG3 ARG 15 3HG ARG 15 2.895 21.460 5.624 110 HD2 ARG 15 2HD ARG 15 2.512 20.458 7.950 111 HD3 ARG 15 3HD ARG 15 4.267 20.489 8.150 112 HE ARG 15 HE ARG 15 2.896 22.995 7.475 113 HH11 ARG 15 1HH1 ARG 15 4.570 21.082 9.937 114 HH12 ARG 15 2HH1 ARG 15 4.796 22.439 10.998 115 HH21 ARG 15 1HH2 ARG 15 3.132 24.732 8.931 116 HH22 ARG 15 2HH2 ARG 15 3.977 24.492 10.424 117 H LEU 16 H LEU 16 4.331 16.310 7.858 118 HA LEU 16 HA LEU 16 4.034 14.178 6.096 119 HB2 LEU 16 2HB LEU 16 3.457 12.760 7.975 120 HB3 LEU 16 3HB LEU 16 4.770 13.829 8.418 121 HG LEU 16 HG LEU 16 1.878 14.235 9.299 122 HD11 LEU 16 1HD1 LEU 16 4.170 12.999 10.864 123 HD12 LEU 16 2HD1 LEU 16 2.752 12.150 10.241 124 HD13 LEU 16 3HD1 LEU 16 2.561 13.373 11.494 125 HD21 LEU 16 3HD2 LEU 16 2.811 15.782 10.971 126 HD22 LEU 16 1HD2 LEU 16 3.162 16.325 9.332 127 HD23 LEU 16 2HD2 LEU 16 4.427 15.557 10.295 128 H ILE 17 H ILE 17 2.397 13.444 4.952 129 HA ILE 17 HA ILE 17 0.066 15.104 4.662 130 HB ILE 17 HB ILE 17 1.160 12.716 3.120 131 HG12 ILE 17 2HG1 ILE 17 0.913 15.681 2.433 132 HG13 ILE 17 3HG1 ILE 17 2.385 14.860 2.935 133 HG21 ILE 17 1HG2 ILE 17 -1.278 12.566 2.883 134 HG22 ILE 17 2HG2 ILE 17 -0.549 13.087 1.364 135 HG23 ILE 17 3HG2 ILE 17 -1.360 14.262 2.402 136 HD11 ILE 17 3HD1 ILE 17 0.865 14.407 0.376 137 HD12 ILE 17 1HD1 ILE 17 2.303 13.514 0.887 138 HD13 ILE 17 2HD1 ILE 17 2.401 15.245 0.581 139 H HIS 18 H HIS 18 -2.015 14.601 5.099 140 HA HIS 18 HA HIS 18 -2.540 12.838 7.269 141 HB2 HIS 18 2HB HIS 18 -4.522 14.385 5.533 142 HB3 HIS 18 3HB HIS 18 -4.859 13.681 7.115 143 HD1 HIS 18 HD1 HIS 18 -3.052 16.534 5.465 144 HD2 HIS 18 HD2 HIS 18 -3.980 15.220 9.298 145 HE1 HIS 18 HE1 HIS 18 -2.500 18.451 6.989 146 HE2 HIS 18 HE2 HIS 18 -3.055 17.624 9.304 147 H ILE 19 H ILE 19 -2.869 10.777 7.122 148 HA ILE 19 HA ILE 19 -4.220 9.493 4.837 149 HB ILE 19 HB ILE 19 -1.804 8.310 6.323 150 HG12 ILE 19 2HG1 ILE 19 -1.004 10.135 4.832 151 HG13 ILE 19 3HG1 ILE 19 -0.460 8.565 4.262 152 HG21 ILE 19 1HG2 ILE 19 -1.905 6.508 4.633 153 HG22 ILE 19 2HG2 ILE 19 -3.333 7.257 3.914 154 HG23 ILE 19 3HG2 ILE 19 -3.402 6.619 5.559 155 HD11 ILE 19 3HD1 ILE 19 -1.096 10.005 2.432 156 HD12 ILE 19 1HD1 ILE 19 -2.715 10.200 3.107 157 HD13 ILE 19 2HD1 ILE 19 -2.188 8.618 2.518 158 H LYS 20 H LYS 20 -6.031 8.538 5.715 159 HA LYS 20 HA LYS 20 -6.177 8.258 8.649 160 HB2 LYS 20 2HB LYS 20 -7.799 9.829 7.609 161 HB3 LYS 20 3HB LYS 20 -8.420 8.531 6.593 162 HG2 LYS 20 2HG LYS 20 -9.287 7.352 8.541 163 HG3 LYS 20 3HG LYS 20 -8.518 8.510 9.627 164 HD2 LYS 20 2HD LYS 20 -10.934 8.947 9.424 165 HD3 LYS 20 3HD LYS 20 -9.983 10.300 8.808 166 HE2 LYS 20 2HE LYS 20 -10.359 9.486 6.490 167 HE3 LYS 20 3HE LYS 20 -11.328 8.156 7.127 168 HZ1 LYS 20 3HZ LYS 20 -11.967 11.035 7.490 169 HZ2 LYS 20 1HZ LYS 20 -12.914 9.725 7.977 170 HZ3 LYS 20 2HZ LYS 20 -12.671 10.028 6.337 171 H THR 21 H THR 21 -6.746 6.354 9.539 172 HA THR 21 HA THR 21 -6.423 3.942 7.895 173 HB THR 21 HB THR 21 -6.370 4.384 10.910 174 HG1 THR 21 HG1 THR 21 -4.602 5.129 9.304 175 HG21 THR 21 3HG2 THR 21 -5.400 2.101 11.049 176 HG22 THR 21 1HG2 THR 21 -5.701 1.876 9.327 177 HG23 THR 21 2HG2 THR 21 -7.056 2.067 10.442 178 H LEU 22 H LEU 22 -8.193 2.828 7.283 179 HA LEU 22 HA LEU 22 -10.675 2.849 8.911 180 HB2 LEU 22 2HB LEU 22 -10.483 2.940 5.859 181 HB3 LEU 22 3HB LEU 22 -11.978 2.853 6.783 182 HG LEU 22 HG LEU 22 -10.038 5.204 6.852 183 HD11 LEU 22 1HD1 LEU 22 -12.677 4.989 5.382 184 HD12 LEU 22 2HD1 LEU 22 -11.071 5.026 4.651 185 HD13 LEU 22 3HD1 LEU 22 -11.670 6.436 5.520 186 HD21 LEU 22 3HD2 LEU 22 -11.292 5.003 8.929 187 HD22 LEU 22 1HD2 LEU 22 -12.817 4.920 8.042 188 HD23 LEU 22 2HD2 LEU 22 -11.852 6.401 8.016 189 H THR 23 H THR 23 -11.596 0.835 9.167 190 HA THR 23 HA THR 23 -10.086 -1.508 8.269 191 HB THR 23 HB THR 23 -11.683 -2.780 9.770 192 HG1 THR 23 HG1 THR 23 -12.744 -0.956 11.252 193 HG21 THR 23 3HG2 THR 23 -10.764 -1.960 11.897 194 HG22 THR 23 1HG2 THR 23 -10.310 -0.430 11.146 195 HG23 THR 23 2HG2 THR 23 -9.508 -1.926 10.657 196 H THR 24 H THR 24 -10.978 -3.203 7.043 197 HA THR 24 HA THR 24 -13.383 -2.548 5.426 198 HB THR 24 HB THR 24 -12.413 -3.870 3.611 199 HG1 THR 24 HG1 THR 24 -10.183 -4.419 5.305 200 HG21 THR 24 3HG2 THR 24 -10.339 -2.639 3.092 201 HG22 THR 24 1HG2 THR 24 -10.239 -2.089 4.768 202 HG23 THR 24 2HG2 THR 24 -11.568 -1.549 3.738 203 HA PRO 25 HA PRO 25 -15.206 -6.497 6.949 204 HB2 PRO 25 2HB PRO 25 -16.308 -7.611 4.663 205 HB3 PRO 25 3HB PRO 25 -17.061 -6.258 5.540 206 HG2 PRO 25 2HG PRO 25 -15.299 -6.177 3.099 207 HG3 PRO 25 3HG PRO 25 -16.829 -5.319 3.404 208 HD2 PRO 25 2HD PRO 25 -14.470 -4.059 3.693 209 HD3 PRO 25 3HD PRO 25 -15.814 -3.730 4.811 210 H ASN 26 H ASN 26 -12.836 -6.351 4.445 211 HA ASN 26 HA ASN 26 -12.184 -9.165 4.282 212 HB2 ASN 26 2HB ASN 26 -10.601 -6.715 3.348 213 HB3 ASN 26 3HB ASN 26 -10.267 -8.385 2.897 214 HD21 ASN 26 1HD2 ASN 26 -10.486 -7.957 0.706 215 HD22 ASN 26 2HD2 ASN 26 -12.010 -7.629 -0.039 216 H GLU 27 H GLU 27 -10.638 -10.214 5.486 217 HA GLU 27 HA GLU 27 -9.479 -8.917 7.820 218 HB2 GLU 27 2HB GLU 27 -8.671 -11.180 8.407 219 HB3 GLU 27 3HB GLU 27 -10.388 -11.202 8.009 220 HG2 GLU 27 2HG GLU 27 -9.757 -11.996 5.703 221 HG3 GLU 27 3HG GLU 27 -8.095 -12.154 6.260 222 H ASN 28 H ASN 28 -7.276 -8.762 8.247 223 HA ASN 28 HA ASN 28 -5.158 -8.025 7.852 224 HB2 ASN 28 2HB ASN 28 -5.230 -10.383 5.926 225 HB3 ASN 28 3HB ASN 28 -3.751 -9.553 6.399 226 HD21 ASN 28 1HD2 ASN 28 -4.927 -12.338 6.869 227 HD22 ASN 28 2HD2 ASN 28 -4.702 -12.598 8.561 228 H ALA 29 H ALA 29 -7.330 -6.890 6.189 229 HA ALA 29 HA ALA 29 -5.700 -5.597 4.088 230 HB1 ALA 29 3HB ALA 29 -7.278 -7.133 2.999 231 HB2 ALA 29 1HB ALA 29 -7.749 -5.460 2.687 232 HB3 ALA 29 2HB ALA 29 -8.627 -6.416 3.884 233 H LEU 30 H LEU 30 -5.573 -3.445 4.467 234 HA LEU 30 HA LEU 30 -7.591 -2.163 6.235 235 HB2 LEU 30 2HB LEU 30 -5.397 -2.818 7.363 236 HB3 LEU 30 3HB LEU 30 -4.594 -1.648 6.338 237 HG LEU 30 HG LEU 30 -5.900 0.184 7.417 238 HD11 LEU 30 1HD1 LEU 30 -7.929 -1.067 7.990 239 HD12 LEU 30 2HD1 LEU 30 -7.264 -0.251 9.401 240 HD13 LEU 30 3HD1 LEU 30 -7.036 -1.992 9.201 241 HD21 LEU 30 3HD2 LEU 30 -4.751 0.120 9.594 242 HD22 LEU 30 1HD2 LEU 30 -3.687 -0.446 8.310 243 HD23 LEU 30 2HD2 LEU 30 -4.445 -1.606 9.402 244 H LYS 31 H LYS 31 -8.421 -0.408 5.429 245 HA LYS 31 HA LYS 31 -7.612 0.628 2.855 246 HB2 LYS 31 2HB LYS 31 -9.976 0.167 3.355 247 HB3 LYS 31 3HB LYS 31 -9.944 1.300 4.700 248 HG2 LYS 31 2HG LYS 31 -9.669 3.177 3.168 249 HG3 LYS 31 3HG LYS 31 -9.543 2.071 1.790 250 HD2 LYS 31 2HD LYS 31 -11.871 1.283 2.263 251 HD3 LYS 31 3HD LYS 31 -11.988 2.459 3.572 252 HE2 LYS 31 2HE LYS 31 -11.782 4.296 2.003 253 HE3 LYS 31 3HE LYS 31 -11.480 3.182 0.669 254 HZ1 LYS 31 3HZ LYS 31 -13.767 4.044 0.755 255 HZ2 LYS 31 1HZ LYS 31 -14.002 3.270 2.230 256 HZ3 LYS 31 2HZ LYS 31 -13.702 2.356 0.838 257 H PHE 32 H PHE 32 -5.938 1.994 2.905 258 HA PHE 32 HA PHE 32 -5.673 4.139 4.885 259 HB2 PHE 32 2HB PHE 32 -3.835 3.085 2.689 260 HB3 PHE 32 3HB PHE 32 -3.497 4.579 3.565 261 HD1 PHE 32 HD2 PHE 32 -3.862 0.891 3.946 262 HD2 PHE 32 HD1 PHE 32 -2.643 4.546 5.809 263 HE1 PHE 32 HE2 PHE 32 -2.835 -0.379 5.785 264 HE2 PHE 32 HE1 PHE 32 -1.626 3.269 7.636 265 HZ PHE 32 HZ PHE 32 -1.720 0.808 7.632 266 H LEU 33 H LEU 33 -6.606 6.003 4.457 267 HA LEU 33 HA LEU 33 -7.607 6.590 1.746 268 HB2 LEU 33 2HB LEU 33 -9.255 6.373 3.642 269 HB3 LEU 33 3HB LEU 33 -8.461 7.714 4.452 270 HG LEU 33 HG LEU 33 -9.079 9.195 2.484 271 HD11 LEU 33 1HD1 LEU 33 -10.730 6.808 1.612 272 HD12 LEU 33 2HD1 LEU 33 -9.312 7.456 0.786 273 HD13 LEU 33 3HD1 LEU 33 -10.775 8.424 0.903 274 HD21 LEU 33 3HD2 LEU 33 -10.434 9.226 4.523 275 HD22 LEU 33 1HD2 LEU 33 -11.419 7.893 3.914 276 HD23 LEU 33 2HD2 LEU 33 -11.441 9.459 3.097 277 H SER 34 H SER 34 -6.555 8.183 0.651 278 HA SER 34 HA SER 34 -4.746 10.050 1.905 279 HB2 SER 34 2HB SER 34 -4.893 11.108 -0.503 280 HB3 SER 34 3HB SER 34 -4.179 9.504 -0.347 281 HG SER 34 HG SER 34 -6.796 10.160 -1.206 282 H THR 35 H THR 35 -5.570 11.542 3.234 283 HA THR 35 HA THR 35 -8.420 12.058 3.274 284 HB THR 35 HB THR 35 -6.265 12.952 5.243 285 HG1 THR 35 HG1 THR 35 -6.832 10.535 4.673 286 HG21 THR 35 3HG2 THR 35 -8.086 13.075 6.895 287 HG22 THR 35 1HG2 THR 35 -9.261 12.591 5.670 288 HG23 THR 35 2HG2 THR 35 -8.440 14.147 5.538 289 H ASP 36 H ASP 36 -5.461 13.906 2.684 290 HA ASP 36 HA ASP 36 -6.474 16.531 2.727 291 HB2 ASP 36 2HB ASP 36 -4.183 15.353 1.087 292 HB3 ASP 36 3HB ASP 36 -4.518 17.082 1.188 293 H GLY 37 H GLY 37 -6.364 14.163 0.092 294 HA2 GLY 37 2HA GLY 37 -8.534 14.359 -1.253 295 HA3 GLY 37 3HA GLY 37 -7.951 15.971 -1.642 296 H GLU 38 H GLU 38 -5.328 13.847 -1.437 297 HA GLU 38 HA GLU 38 -4.766 13.841 -4.209 298 HB2 GLU 38 2HB GLU 38 -3.644 11.899 -2.139 299 HB3 GLU 38 3HB GLU 38 -2.907 12.365 -3.670 300 HG2 GLU 38 2HG GLU 38 -3.232 14.072 -1.183 301 HG3 GLU 38 3HG GLU 38 -1.733 13.434 -1.852 302 H MET 39 H MET 39 -4.804 12.055 -5.704 303 HA MET 39 HA MET 39 -6.716 9.881 -5.046 304 HB2 MET 39 2HB MET 39 -7.667 11.777 -6.489 305 HB3 MET 39 3HB MET 39 -6.554 11.279 -7.754 306 HG2 MET 39 2HG MET 39 -7.656 9.157 -7.977 307 HG3 MET 39 3HG MET 39 -8.615 9.439 -6.521 308 HE1 MET 39 3HE MET 39 -11.531 9.649 -8.944 309 HE2 MET 39 1HE MET 39 -10.884 9.014 -7.433 310 HE3 MET 39 2HE MET 39 -10.210 8.481 -8.976 311 H LEU 40 H LEU 40 -6.085 7.866 -5.636 312 HA LEU 40 HA LEU 40 -3.301 7.584 -6.532 313 HB2 LEU 40 2HB LEU 40 -5.150 5.593 -5.159 314 HB3 LEU 40 3HB LEU 40 -3.441 5.334 -5.501 315 HG LEU 40 HG LEU 40 -4.539 7.482 -3.634 316 HD11 LEU 40 1HD1 LEU 40 -3.200 4.856 -2.963 317 HD12 LEU 40 2HD1 LEU 40 -4.893 5.285 -2.696 318 HD13 LEU 40 3HD1 LEU 40 -3.627 6.127 -1.807 319 HD21 LEU 40 3HD2 LEU 40 -2.422 8.183 -4.653 320 HD22 LEU 40 1HD2 LEU 40 -1.653 6.672 -4.155 321 HD23 LEU 40 2HD2 LEU 40 -2.203 7.832 -2.943 322 H GLN 41 H GLN 41 -6.517 6.125 -7.207 323 HA GLN 41 HA GLN 41 -5.507 5.209 -9.848 324 HB2 GLN 41 2HB GLN 41 -6.383 3.373 -8.485 325 HB3 GLN 41 3HB GLN 41 -7.885 4.236 -8.210 326 HG2 GLN 41 2HG GLN 41 -8.192 2.435 -9.842 327 HG3 GLN 41 3HG GLN 41 -8.481 4.009 -10.583 328 HE21 GLN 41 1HE2 GLN 41 -6.343 1.280 -10.447 329 HE22 GLN 41 2HE2 GLN 41 -5.473 1.639 -11.892 330 H THR 42 H THR 42 -6.348 6.011 -11.643 331 HA THR 42 HA THR 42 -8.206 8.116 -11.885 332 HB THR 42 HB THR 42 -7.396 6.026 -13.969 333 HG1 THR 42 HG1 THR 42 -6.080 8.244 -12.864 334 HG21 THR 42 3HG2 THR 42 -7.833 7.826 -15.624 335 HG22 THR 42 1HG2 THR 42 -8.402 8.879 -14.336 336 HG23 THR 42 2HG2 THR 42 -9.301 7.410 -14.734 337 H ARG 43 H ARG 43 -10.430 8.065 -11.957 338 HA ARG 43 HA ARG 43 -11.629 5.913 -10.582 339 HB2 ARG 43 2HB ARG 43 -12.178 8.429 -10.474 340 HB3 ARG 43 3HB ARG 43 -13.176 8.173 -11.898 341 HG2 ARG 43 2HG ARG 43 -14.628 6.658 -10.673 342 HG3 ARG 43 3HG ARG 43 -13.549 6.681 -9.279 343 HD2 ARG 43 2HD ARG 43 -14.036 9.146 -9.033 344 HD3 ARG 43 3HD ARG 43 -15.239 8.979 -10.318 345 HE ARG 43 HE ARG 43 -15.771 7.054 -8.342 346 HH11 ARG 43 1HH1 ARG 43 -15.879 10.555 -8.678 347 HH12 ARG 43 2HH1 ARG 43 -17.148 10.742 -7.517 348 HH21 ARG 43 1HH2 ARG 43 -17.456 7.328 -6.835 349 HH22 ARG 43 2HH2 ARG 43 -18.032 8.925 -6.481 350 H GLY 44 H GLY 44 -11.442 6.548 -13.961 351 HA2 GLY 44 2HA GLY 44 -13.620 4.729 -14.705 352 HA3 GLY 44 3HA GLY 44 -12.633 5.699 -15.780 353 H SER 45 H SER 45 -10.974 3.806 -13.385 354 HA SER 45 HA SER 45 -10.307 1.699 -15.356 355 HB2 SER 45 2HB SER 45 -8.532 3.463 -15.349 356 HB3 SER 45 3HB SER 45 -8.282 3.198 -13.628 357 HG SER 45 HG SER 45 -7.185 1.900 -15.665 358 H LYS 46 H LYS 46 -9.046 -0.120 -14.218 359 HA LYS 46 HA LYS 46 -10.755 -1.126 -12.102 360 HB2 LYS 46 2HB LYS 46 -8.443 -2.404 -13.625 361 HB3 LYS 46 3HB LYS 46 -9.452 -3.260 -12.457 362 HG2 LYS 46 2HG LYS 46 -11.437 -2.837 -13.882 363 HG3 LYS 46 3HG LYS 46 -10.410 -2.024 -15.066 364 HD2 LYS 46 2HD LYS 46 -10.189 -4.946 -14.230 365 HD3 LYS 46 3HD LYS 46 -10.945 -4.359 -15.713 366 HE2 LYS 46 2HE LYS 46 -8.003 -4.067 -14.988 367 HE3 LYS 46 3HE LYS 46 -8.683 -5.208 -16.150 368 HZ1 LYS 46 3HZ LYS 46 -8.728 -2.245 -16.387 369 HZ2 LYS 46 1HZ LYS 46 -9.460 -3.317 -17.465 370 HZ3 LYS 46 2HZ LYS 46 -7.782 -3.317 -17.291 371 H SER 47 H SER 47 -10.025 -2.049 -10.129 372 HA SER 47 HA SER 47 -8.078 -0.627 -8.633 373 HB2 SER 47 2HB SER 47 -9.401 -3.308 -7.985 374 HB3 SER 47 3HB SER 47 -8.649 -2.203 -6.829 375 HG SER 47 HG SER 47 -10.269 -0.649 -7.510 376 H ILE 48 H ILE 48 -5.914 -0.823 -9.051 377 HA ILE 48 HA ILE 48 -4.794 -3.131 -10.374 378 HB ILE 48 HB ILE 48 -3.213 -0.858 -9.074 379 HG12 ILE 48 2HG1 ILE 48 -4.183 -1.011 -11.962 380 HG13 ILE 48 3HG1 ILE 48 -4.892 0.010 -10.720 381 HG21 ILE 48 1HG2 ILE 48 -1.423 -1.483 -10.659 382 HG22 ILE 48 2HG2 ILE 48 -2.425 -2.782 -11.305 383 HG23 ILE 48 3HG2 ILE 48 -1.857 -2.851 -9.635 384 HD11 ILE 48 3HD1 ILE 48 -3.448 1.288 -12.174 385 HD12 ILE 48 1HD1 ILE 48 -2.077 0.243 -11.798 386 HD13 ILE 48 2HD1 ILE 48 -2.791 1.257 -10.540 387 H VAL 49 H VAL 49 -4.799 -4.977 -9.127 388 HA VAL 49 HA VAL 49 -3.886 -4.909 -6.350 389 HB VAL 49 HB VAL 49 -4.693 -7.317 -8.057 390 HG11 VAL 49 1HG1 VAL 49 -3.159 -7.960 -6.235 391 HG12 VAL 49 2HG1 VAL 49 -4.784 -8.566 -5.920 392 HG13 VAL 49 3HG1 VAL 49 -4.190 -7.144 -5.055 393 HG21 VAL 49 3HG2 VAL 49 -6.287 -5.810 -5.942 394 HG22 VAL 49 1HG2 VAL 49 -6.813 -7.272 -6.785 395 HG23 VAL 49 2HG2 VAL 49 -6.582 -5.770 -7.682 396 H ILE 50 H ILE 50 -1.761 -4.705 -6.073 397 HA ILE 50 HA ILE 50 0.116 -5.665 -8.137 398 HB ILE 50 HB ILE 50 0.654 -3.871 -5.715 399 HG12 ILE 50 2HG1 ILE 50 0.232 -3.013 -8.619 400 HG13 ILE 50 3HG1 ILE 50 -0.966 -2.839 -7.341 401 HG21 ILE 50 1HG2 ILE 50 2.358 -4.435 -8.171 402 HG22 ILE 50 2HG2 ILE 50 2.663 -5.026 -6.538 403 HG23 ILE 50 3HG2 ILE 50 2.755 -3.302 -6.881 404 HD11 ILE 50 3HD1 ILE 50 0.174 -0.754 -7.790 405 HD12 ILE 50 1HD1 ILE 50 1.730 -1.489 -7.404 406 HD13 ILE 50 2HD1 ILE 50 0.498 -1.308 -6.151 407 H LYS 51 H LYS 51 0.657 -7.746 -7.747 408 HA LYS 51 HA LYS 51 0.764 -8.842 -5.033 409 HB2 LYS 51 2HB LYS 51 1.130 -10.173 -7.758 410 HB3 LYS 51 3HB LYS 51 0.967 -11.010 -6.216 411 HG2 LYS 51 2HG LYS 51 -1.343 -10.228 -5.992 412 HG3 LYS 51 3HG LYS 51 -1.190 -9.275 -7.474 413 HD2 LYS 51 2HD LYS 51 -1.010 -12.317 -7.296 414 HD3 LYS 51 3HD LYS 51 -2.405 -11.402 -7.875 415 HE2 LYS 51 2HE LYS 51 -1.055 -10.515 -9.747 416 HE3 LYS 51 3HE LYS 51 0.354 -11.401 -9.164 417 HZ1 LYS 51 3HZ LYS 51 -2.189 -12.638 -10.067 418 HZ2 LYS 51 1HZ LYS 51 -0.806 -13.466 -9.567 419 HZ3 LYS 51 2HZ LYS 51 -0.770 -12.545 -10.982 420 H ASN 52 H ASN 52 2.692 -9.366 -4.016 421 HA ASN 52 HA ASN 52 5.168 -8.338 -4.928 422 HB2 ASN 52 2HB ASN 52 6.173 -9.496 -2.962 423 HB3 ASN 52 3HB ASN 52 4.733 -8.585 -2.542 424 HD21 ASN 52 1HD2 ASN 52 4.537 -9.774 -0.629 425 HD22 ASN 52 2HD2 ASN 52 3.927 -11.392 -0.605 426 H THR 53 H THR 53 3.597 -11.365 -5.480 427 HA THR 53 HA THR 53 5.932 -12.849 -6.335 428 HB THR 53 HB THR 53 3.973 -13.972 -5.283 429 HG1 THR 53 HG1 THR 53 4.570 -15.660 -6.378 430 HG21 THR 53 3HG2 THR 53 2.481 -13.323 -7.858 431 HG22 THR 53 1HG2 THR 53 2.143 -12.617 -6.276 432 HG23 THR 53 2HG2 THR 53 1.892 -14.343 -6.543 433 H ASP 54 H ASP 54 3.937 -10.492 -7.762 434 HA ASP 54 HA ASP 54 4.641 -11.320 -10.527 435 HB2 ASP 54 2HB ASP 54 2.124 -11.018 -9.743 436 HB3 ASP 54 3HB ASP 54 2.466 -9.301 -9.900 437 H GLU 55 H GLU 55 6.698 -10.471 -10.244 438 HA GLU 55 HA GLU 55 7.492 -8.130 -9.007 439 HB2 GLU 55 2HB GLU 55 8.948 -10.086 -9.603 440 HB3 GLU 55 3HB GLU 55 8.939 -9.562 -11.282 441 HG2 GLU 55 2HG GLU 55 11.017 -8.882 -10.293 442 HG3 GLU 55 3HG GLU 55 10.062 -7.427 -10.564 443 H ASN 56 H ASN 56 6.473 -8.557 -12.348 444 HA ASN 56 HA ASN 56 7.501 -6.203 -13.500 445 HB2 ASN 56 2HB ASN 56 5.876 -6.643 -15.337 446 HB3 ASN 56 3HB ASN 56 6.763 -8.088 -14.874 447 HD21 ASN 56 1HD2 ASN 56 4.383 -8.156 -16.326 448 HD22 ASN 56 2HD2 ASN 56 3.173 -8.931 -15.362 449 H LEU 57 H LEU 57 4.536 -6.800 -11.676 450 HA LEU 57 HA LEU 57 3.245 -4.298 -12.094 451 HB2 LEU 57 2HB LEU 57 3.005 -6.329 -9.848 452 HB3 LEU 57 3HB LEU 57 1.999 -4.896 -9.936 453 HG LEU 57 HG LEU 57 2.035 -7.183 -11.946 454 HD11 LEU 57 1HD1 LEU 57 0.938 -7.775 -9.841 455 HD12 LEU 57 2HD1 LEU 57 -0.233 -7.656 -11.151 456 HD13 LEU 57 3HD1 LEU 57 -0.108 -6.355 -9.961 457 HD21 LEU 57 3HD2 LEU 57 1.601 -5.079 -13.116 458 HD22 LEU 57 1HD2 LEU 57 0.326 -4.668 -11.964 459 HD23 LEU 57 2HD2 LEU 57 0.136 -6.053 -13.043 460 H ILE 58 H ILE 58 5.695 -5.369 -9.793 461 HA ILE 58 HA ILE 58 5.630 -3.050 -8.083 462 HB ILE 58 HB ILE 58 7.716 -5.263 -8.434 463 HG12 ILE 58 2HG1 ILE 58 7.063 -5.822 -6.033 464 HG13 ILE 58 3HG1 ILE 58 5.785 -4.620 -6.155 465 HG21 ILE 58 1HG2 ILE 58 7.880 -2.965 -6.452 466 HG22 ILE 58 2HG2 ILE 58 8.961 -3.241 -7.821 467 HG23 ILE 58 3HG2 ILE 58 8.939 -4.379 -6.472 468 HD11 ILE 58 3HD1 ILE 58 4.734 -5.937 -7.921 469 HD12 ILE 58 1HD1 ILE 58 4.936 -6.859 -6.433 470 HD13 ILE 58 2HD1 ILE 58 6.027 -7.134 -7.794 471 H ASN 59 H ASN 59 7.665 -4.169 -10.777 472 HA ASN 59 HA ASN 59 9.630 -2.210 -10.863 473 HB2 ASN 59 2HB ASN 59 8.437 -3.891 -13.109 474 HB3 ASN 59 3HB ASN 59 9.882 -2.902 -13.311 475 HD21 ASN 59 1HD2 ASN 59 9.391 -5.865 -13.372 476 HD22 ASN 59 2HD2 ASN 59 10.566 -6.523 -12.297 477 H HIS 60 H HIS 60 6.362 -2.076 -12.132 478 HA HIS 60 HA HIS 60 6.777 0.443 -13.553 479 HB2 HIS 60 2HB HIS 60 4.234 -1.166 -13.076 480 HB3 HIS 60 3HB HIS 60 4.341 0.273 -14.084 481 HD1 HIS 60 HD1 HIS 60 3.347 -2.319 -15.295 482 HD2 HIS 60 HD2 HIS 60 7.338 -1.170 -15.364 483 HE1 HIS 60 HE1 HIS 60 4.370 -3.528 -17.244 484 HE2 HIS 60 HE2 HIS 60 6.750 -2.741 -17.319 485 H SER 61 H SER 61 5.109 -0.706 -10.599 486 HA SER 61 HA SER 61 4.003 1.944 -10.039 487 HB2 SER 61 2HB SER 61 3.723 -0.648 -8.475 488 HB3 SER 61 3HB SER 61 2.785 0.826 -8.226 489 HG SER 61 HG SER 61 2.706 -1.022 -10.343 490 H LYS 62 H LYS 62 5.428 3.365 -9.234 491 HA LYS 62 HA LYS 62 7.757 3.110 -7.835 492 HB2 LYS 62 2HB LYS 62 6.769 5.183 -8.850 493 HB3 LYS 62 3HB LYS 62 5.653 5.283 -7.496 494 HG2 LYS 62 2HG LYS 62 7.904 5.355 -6.067 495 HG3 LYS 62 3HG LYS 62 8.607 5.885 -7.598 496 HD2 LYS 62 2HD LYS 62 6.500 7.250 -5.898 497 HD3 LYS 62 3HD LYS 62 8.045 7.886 -6.457 498 HE2 LYS 62 2HE LYS 62 5.588 7.378 -8.184 499 HE3 LYS 62 3HE LYS 62 6.188 8.945 -7.653 500 HZ1 LYS 62 3HZ LYS 62 8.272 8.428 -8.893 501 HZ2 LYS 62 1HZ LYS 62 6.905 8.625 -9.866 502 HZ3 LYS 62 2HZ LYS 62 7.506 7.072 -9.542 503 H LEU 63 H LEU 63 4.551 3.679 -6.427 504 HA LEU 63 HA LEU 63 5.275 3.781 -3.721 505 HB2 LEU 63 2HB LEU 63 3.148 4.647 -4.727 506 HB3 LEU 63 3HB LEU 63 2.590 2.991 -4.913 507 HG LEU 63 HG LEU 63 2.641 2.710 -2.429 508 HD11 LEU 63 1HD1 LEU 63 2.927 4.638 -0.954 509 HD12 LEU 63 2HD1 LEU 63 3.344 5.658 -2.333 510 HD13 LEU 63 3HD1 LEU 63 4.393 4.313 -1.874 511 HD21 LEU 63 3HD2 LEU 63 0.545 3.341 -3.518 512 HD22 LEU 63 1HD2 LEU 63 0.954 5.054 -3.369 513 HD23 LEU 63 2HD2 LEU 63 0.667 4.079 -1.924 514 H ALA 64 H ALA 64 4.359 1.049 -5.783 515 HA ALA 64 HA ALA 64 4.059 -0.937 -3.787 516 HB1 ALA 64 3HB ALA 64 3.202 -1.218 -6.067 517 HB2 ALA 64 1HB ALA 64 4.270 -2.550 -5.621 518 HB3 ALA 64 2HB ALA 64 4.851 -1.270 -6.695 519 H GLN 65 H GLN 65 6.823 0.135 -5.743 520 HA GLN 65 HA GLN 65 8.738 -1.752 -4.998 521 HB2 GLN 65 2HB GLN 65 9.279 1.209 -5.542 522 HB3 GLN 65 3HB GLN 65 10.437 -0.117 -5.691 523 HG2 GLN 65 2HG GLN 65 9.195 -1.054 -7.555 524 HG3 GLN 65 3HG GLN 65 7.922 0.141 -7.356 525 HE21 GLN 65 1HE2 GLN 65 9.342 -0.375 -9.748 526 HE22 GLN 65 2HE2 GLN 65 10.183 1.072 -10.171 527 H GLN 66 H GLN 66 8.000 1.409 -3.520 528 HA GLN 66 HA GLN 66 9.780 1.329 -1.376 529 HB2 GLN 66 2HB GLN 66 7.151 2.809 -1.755 530 HB3 GLN 66 3HB GLN 66 8.195 3.072 -0.361 531 HG2 GLN 66 2HG GLN 66 8.949 3.550 -3.263 532 HG3 GLN 66 3HG GLN 66 8.551 4.790 -2.071 533 HE21 GLN 66 1HE2 GLN 66 10.965 2.466 -3.090 534 HE22 GLN 66 2HE2 GLN 66 12.260 3.088 -2.130 535 H ILE 67 H ILE 67 6.298 0.340 -1.412 536 HA ILE 67 HA ILE 67 6.143 -0.126 1.386 537 HB ILE 67 HB ILE 67 4.307 -1.071 -0.866 538 HG12 ILE 67 2HG1 ILE 67 4.031 1.224 1.142 539 HG13 ILE 67 3HG1 ILE 67 4.420 1.396 -0.565 540 HG21 ILE 67 1HG2 ILE 67 4.014 -2.592 1.051 541 HG22 ILE 67 2HG2 ILE 67 2.597 -1.559 0.873 542 HG23 ILE 67 3HG2 ILE 67 3.785 -1.217 2.134 543 HD11 ILE 67 3HD1 ILE 67 2.123 1.970 -0.148 544 HD12 ILE 67 1HD1 ILE 67 1.817 0.391 0.575 545 HD13 ILE 67 2HD1 ILE 67 2.205 0.517 -1.143 546 H PHE 68 H PHE 68 6.544 -2.395 -1.379 547 HA PHE 68 HA PHE 68 6.745 -4.742 0.233 548 HB2 PHE 68 2HB PHE 68 7.541 -4.243 -2.666 549 HB3 PHE 68 3HB PHE 68 7.656 -5.822 -1.892 550 HD1 PHE 68 HD1 PHE 68 5.298 -6.386 -0.504 551 HD2 PHE 68 HD2 PHE 68 5.653 -4.044 -4.068 552 HE1 PHE 68 HE1 PHE 68 2.965 -6.905 -1.094 553 HE2 PHE 68 HE2 PHE 68 3.320 -4.569 -4.637 554 HZ PHE 68 HZ PHE 68 1.979 -6.001 -3.157 555 H LEU 69 H LEU 69 9.169 -2.391 -0.875 556 HA LEU 69 HA LEU 69 11.494 -3.960 -0.334 557 HB2 LEU 69 2HB LEU 69 11.600 -1.987 -1.781 558 HB3 LEU 69 3HB LEU 69 11.093 -0.950 -0.465 559 HG LEU 69 HG LEU 69 13.282 -1.460 0.707 560 HD11 LEU 69 1HD1 LEU 69 14.017 -2.822 -1.899 561 HD12 LEU 69 2HD1 LEU 69 13.847 -3.584 -0.315 562 HD13 LEU 69 3HD1 LEU 69 15.139 -2.421 -0.593 563 HD21 LEU 69 3HD2 LEU 69 14.645 0.035 -0.698 564 HD22 LEU 69 1HD2 LEU 69 12.985 0.618 -0.557 565 HD23 LEU 69 2HD2 LEU 69 13.517 -0.180 -2.039 566 H GLN 70 H GLN 70 9.976 -1.288 1.498 567 HA GLN 70 HA GLN 70 11.677 -1.669 3.793 568 HB2 GLN 70 2HB GLN 70 9.306 0.188 3.330 569 HB3 GLN 70 3HB GLN 70 10.301 0.201 4.789 570 HG2 GLN 70 2HG GLN 70 12.304 0.702 3.334 571 HG3 GLN 70 3HG GLN 70 11.206 0.852 1.962 572 HE21 GLN 70 1HE2 GLN 70 11.828 3.030 1.652 573 HE22 GLN 70 2HE2 GLN 70 11.301 4.288 2.711 574 H CYS 71 H CYS 71 8.583 -2.940 2.832 575 HA CYS 71 HA CYS 71 8.395 -4.384 5.385 576 HB2 CYS 71 2HB CYS 71 6.020 -3.035 4.019 577 HB3 CYS 71 3HB CYS 71 5.945 -4.054 5.456 578 HG CYS 71 HG CYS 71 8.023 -1.505 5.903 579 HA PRO 72 HA PRO 72 8.162 -7.239 1.655 580 HB2 PRO 72 2HB PRO 72 9.769 -9.016 3.453 581 HB3 PRO 72 3HB PRO 72 10.070 -8.534 1.769 582 HG2 PRO 72 2HG PRO 72 11.572 -7.531 3.739 583 HG3 PRO 72 3HG PRO 72 11.076 -6.518 2.360 584 HD2 PRO 72 2HD PRO 72 9.879 -6.625 5.135 585 HD3 PRO 72 3HD PRO 72 10.312 -5.206 4.147 586 H GLY 73 H GLY 73 6.992 -7.264 4.844 587 HA2 GLY 73 2HA GLY 73 5.786 -9.903 4.878 588 HA3 GLY 73 3HA GLY 73 5.547 -8.618 6.050 589 H VAL 74 H VAL 74 5.015 -6.970 3.379 590 HA VAL 74 HA VAL 74 2.136 -7.282 3.314 591 HB VAL 74 HB VAL 74 3.977 -5.540 1.600 592 HG11 VAL 74 1HG1 VAL 74 1.833 -5.926 0.453 593 HG12 VAL 74 2HG1 VAL 74 1.947 -4.254 1.003 594 HG13 VAL 74 3HG1 VAL 74 0.949 -5.408 1.893 595 HG21 VAL 74 3HG2 VAL 74 4.091 -4.935 3.990 596 HG22 VAL 74 1HG2 VAL 74 2.330 -4.789 4.054 597 HG23 VAL 74 2HG2 VAL 74 3.276 -3.671 3.066 598 H GLU 75 H GLU 75 0.990 -8.434 1.859 599 HA GLU 75 HA GLU 75 2.369 -10.291 0.090 600 HB2 GLU 75 2HB GLU 75 -0.553 -10.073 0.932 601 HB3 GLU 75 3HB GLU 75 0.095 -11.356 -0.091 602 HG2 GLU 75 2HG GLU 75 0.895 -10.789 2.781 603 HG3 GLU 75 3HG GLU 75 -0.165 -12.089 2.240 604 H SER 76 H SER 76 -0.138 -7.793 -0.138 605 HA SER 76 HA SER 76 0.477 -7.232 -2.886 606 HB2 SER 76 2HB SER 76 -1.899 -7.696 -3.698 607 HB3 SER 76 3HB SER 76 -0.953 -9.139 -3.328 608 HG SER 76 HG SER 76 -2.104 -9.452 -1.500 609 H LEU 77 H LEU 77 -0.561 -5.369 -3.665 610 HA LEU 77 HA LEU 77 -1.887 -3.634 -1.668 611 HB2 LEU 77 2HB LEU 77 -0.630 -2.800 -4.321 612 HB3 LEU 77 3HB LEU 77 -1.177 -1.746 -3.023 613 HG LEU 77 HG LEU 77 1.266 -3.555 -3.009 614 HD11 LEU 77 1HD1 LEU 77 1.565 -1.526 -4.302 615 HD12 LEU 77 2HD1 LEU 77 2.529 -1.470 -2.829 616 HD13 LEU 77 3HD1 LEU 77 1.032 -0.537 -2.935 617 HD21 LEU 77 3HD2 LEU 77 0.279 -3.575 -0.774 618 HD22 LEU 77 1HD2 LEU 77 0.254 -1.810 -0.745 619 HD23 LEU 77 2HD2 LEU 77 1.792 -2.677 -0.787 620 H MET 78 H MET 78 -3.645 -2.291 -2.606 621 HA MET 78 HA MET 78 -4.714 -3.103 -5.223 622 HB2 MET 78 2HB MET 78 -6.004 -4.399 -3.525 623 HB3 MET 78 3HB MET 78 -6.392 -2.914 -2.677 624 HG2 MET 78 2HG MET 78 -7.687 -2.134 -4.623 625 HG3 MET 78 3HG MET 78 -7.289 -3.623 -5.482 626 HE1 MET 78 3HE MET 78 -8.223 -6.054 -4.731 627 HE2 MET 78 1HE MET 78 -9.231 -6.297 -3.306 628 HE3 MET 78 2HE MET 78 -7.543 -5.820 -3.117 629 H ILE 79 H ILE 79 -4.379 -1.227 -6.260 630 HA ILE 79 HA ILE 79 -4.407 1.334 -4.937 631 HB ILE 79 HB ILE 79 -4.166 0.751 -7.936 632 HG12 ILE 79 2HG1 ILE 79 -2.331 -0.371 -6.644 633 HG13 ILE 79 3HG1 ILE 79 -1.729 0.885 -7.714 634 HG21 ILE 79 1HG2 ILE 79 -4.788 3.080 -7.512 635 HG22 ILE 79 2HG2 ILE 79 -3.115 3.014 -8.068 636 HG23 ILE 79 3HG2 ILE 79 -3.466 3.264 -6.353 637 HD11 ILE 79 3HD1 ILE 79 -0.576 0.865 -5.584 638 HD12 ILE 79 1HD1 ILE 79 -2.094 1.137 -4.736 639 HD13 ILE 79 2HD1 ILE 79 -1.449 2.381 -5.810 640 H GLY 80 H GLY 80 -6.382 1.923 -4.322 641 HA2 GLY 80 2HA GLY 80 -8.727 1.615 -6.074 642 HA3 GLY 80 3HA GLY 80 -8.729 2.060 -4.369 643 H ASP 81 H ASP 81 -10.241 3.592 -5.876 644 HA ASP 81 HA ASP 81 -9.173 5.636 -7.456 645 HB2 ASP 81 2HB ASP 81 -11.646 5.992 -5.695 646 HB3 ASP 81 3HB ASP 81 -11.320 6.748 -7.254 647 H ASP 82 H ASP 82 -10.401 6.012 -4.177 648 HA ASP 82 HA ASP 82 -8.709 8.376 -3.664 649 HB2 ASP 82 2HB ASP 82 -10.456 8.800 -1.836 650 HB3 ASP 82 3HB ASP 82 -11.090 8.843 -3.481 651 H PHE 83 H PHE 83 -8.462 5.149 -3.159 652 HA PHE 83 HA PHE 83 -7.460 5.319 -0.393 653 HB2 PHE 83 2HB PHE 83 -8.766 3.353 0.290 654 HB3 PHE 83 3HB PHE 83 -9.834 4.645 -0.239 655 HD1 PHE 83 HD2 PHE 83 -10.941 4.474 -2.554 656 HD2 PHE 83 HD1 PHE 83 -8.837 1.186 -0.776 657 HE1 PHE 83 HE2 PHE 83 -12.074 2.907 -4.088 658 HE2 PHE 83 HE1 PHE 83 -9.975 -0.361 -2.312 659 HZ PHE 83 HZ PHE 83 -11.591 0.493 -3.965 660 H LEU 84 H LEU 84 -6.360 3.314 0.270 661 HA LEU 84 HA LEU 84 -5.260 1.626 -1.879 662 HB2 LEU 84 2HB LEU 84 -3.581 3.357 -1.520 663 HB3 LEU 84 3HB LEU 84 -3.662 3.154 0.220 664 HG LEU 84 HG LEU 84 -2.630 0.892 0.007 665 HD11 LEU 84 1HD1 LEU 84 -2.408 1.496 -2.952 666 HD12 LEU 84 2HD1 LEU 84 -3.403 0.245 -2.204 667 HD13 LEU 84 3HD1 LEU 84 -1.647 0.140 -2.114 668 HD21 LEU 84 3HD2 LEU 84 -1.199 2.822 0.421 669 HD22 LEU 84 1HD2 LEU 84 -1.027 3.101 -1.315 670 HD23 LEU 84 2HD2 LEU 84 -0.364 1.638 -0.580 671 H THR 85 H THR 85 -5.763 -0.387 -1.313 672 HA THR 85 HA THR 85 -6.254 -1.091 1.503 673 HB THR 85 HB THR 85 -6.924 -2.633 -1.046 674 HG1 THR 85 HG1 THR 85 -7.988 -0.500 -0.579 675 HG21 THR 85 3HG2 THR 85 -8.466 -3.935 0.392 676 HG22 THR 85 1HG2 THR 85 -7.938 -3.030 1.803 677 HG23 THR 85 2HG2 THR 85 -6.802 -4.097 0.967 678 H ILE 86 H ILE 86 -4.404 -1.709 2.454 679 HA ILE 86 HA ILE 86 -2.283 -3.138 1.030 680 HB ILE 86 HB ILE 86 -2.436 -2.331 3.979 681 HG12 ILE 86 2HG1 ILE 86 -2.498 -0.346 2.410 682 HG13 ILE 86 3HG1 ILE 86 -1.117 -0.363 3.496 683 HG21 ILE 86 1HG2 ILE 86 0.028 -2.653 4.001 684 HG22 ILE 86 2HG2 ILE 86 -0.034 -3.225 2.332 685 HG23 ILE 86 3HG2 ILE 86 -0.830 -4.145 3.610 686 HD11 ILE 86 3HD1 ILE 86 -0.476 0.375 1.316 687 HD12 ILE 86 1HD1 ILE 86 -1.112 -1.095 0.581 688 HD13 ILE 86 2HD1 ILE 86 0.288 -1.177 1.657 689 H ASN 87 H ASN 87 -2.444 -5.287 0.880 690 HA ASN 87 HA ASN 87 -3.751 -6.920 2.972 691 HB2 ASN 87 2HB ASN 87 -3.027 -7.577 0.070 692 HB3 ASN 87 3HB ASN 87 -3.702 -8.736 1.216 693 HD21 ASN 87 1HD2 ASN 87 -4.382 -5.762 -0.577 694 HD22 ASN 87 2HD2 ASN 87 -6.103 -5.906 -0.507 695 H LYS 88 H LYS 88 -2.448 -8.106 4.254 696 HA LYS 88 HA LYS 88 0.377 -8.574 3.524 697 HB2 LYS 88 2HB LYS 88 0.988 -7.905 5.958 698 HB3 LYS 88 3HB LYS 88 0.665 -6.616 4.808 699 HG2 LYS 88 2HG LYS 88 -0.408 -5.936 6.777 700 HG3 LYS 88 3HG LYS 88 -1.694 -6.520 5.736 701 HD2 LYS 88 2HD LYS 88 -2.390 -7.554 7.666 702 HD3 LYS 88 3HD LYS 88 -1.254 -8.801 7.159 703 HE2 LYS 88 2HE LYS 88 -0.716 -6.578 9.155 704 HE3 LYS 88 3HE LYS 88 -0.977 -8.280 9.531 705 HZ1 LYS 88 3HZ LYS 88 1.038 -8.825 8.355 706 HZ2 LYS 88 1HZ LYS 88 1.349 -7.693 9.573 707 HZ3 LYS 88 2HZ LYS 88 1.290 -7.201 7.955 708 H ASP 89 H ASP 89 1.453 -10.043 5.160 709 HA ASP 89 HA ASP 89 -0.155 -12.413 5.507 710 HB2 ASP 89 2HB ASP 89 2.322 -12.288 4.711 711 HB3 ASP 89 3HB ASP 89 2.734 -12.054 6.406 712 H ARG 90 H ARG 90 -0.647 -13.384 7.473 713 HA ARG 90 HA ARG 90 -1.192 -11.531 9.632 714 HB2 ARG 90 2HB ARG 90 -2.586 -13.354 10.539 715 HB3 ARG 90 3HB ARG 90 -2.925 -13.061 8.837 716 HG2 ARG 90 2HG ARG 90 -1.340 -15.035 8.343 717 HG3 ARG 90 3HG ARG 90 -1.440 -15.405 10.067 718 HD2 ARG 90 2HD ARG 90 -3.049 -16.766 8.855 719 HD3 ARG 90 3HD ARG 90 -3.928 -15.583 9.834 720 HE ARG 90 HE ARG 90 -3.372 -14.901 7.030 721 HH11 ARG 90 1HH1 ARG 90 -5.796 -15.997 9.351 722 HH12 ARG 90 2HH1 ARG 90 -7.125 -15.597 8.308 723 HH21 ARG 90 1HH2 ARG 90 -5.149 -14.352 5.709 724 HH22 ARG 90 2HH2 ARG 90 -6.762 -14.678 6.271 725 H MET 91 H MET 91 1.514 -13.399 9.024 726 HA MET 91 HA MET 91 2.155 -14.102 11.761 727 HB2 MET 91 2HB MET 91 4.356 -14.724 10.960 728 HB3 MET 91 3HB MET 91 3.174 -15.307 9.799 729 HG2 MET 91 2HG MET 91 3.723 -13.473 8.276 730 HG3 MET 91 3HG MET 91 4.844 -12.801 9.458 731 HE1 MET 91 3HE MET 91 5.544 -16.766 7.182 732 HE2 MET 91 1HE MET 91 4.134 -15.733 6.945 733 HE3 MET 91 2HE MET 91 4.320 -16.643 8.447 734 H VAL 92 H VAL 92 2.328 -11.246 9.832 735 HA VAL 92 HA VAL 92 4.164 -9.852 11.688 736 HB VAL 92 HB VAL 92 3.105 -8.805 9.012 737 HG11 VAL 92 1HG1 VAL 92 5.496 -7.936 10.684 738 HG12 VAL 92 2HG1 VAL 92 3.974 -7.057 10.512 739 HG13 VAL 92 3HG1 VAL 92 5.036 -7.260 9.116 740 HG21 VAL 92 3HG2 VAL 92 5.246 -9.481 7.979 741 HG22 VAL 92 1HG2 VAL 92 4.353 -10.884 8.573 742 HG23 VAL 92 2HG2 VAL 92 5.732 -10.266 9.484 743 H HIS 93 H HIS 93 3.493 -7.958 12.738 744 HA HIS 93 HA HIS 93 0.696 -7.639 13.361 745 HB2 HIS 93 2HB HIS 93 2.641 -7.372 14.972 746 HB3 HIS 93 3HB HIS 93 3.086 -5.899 14.132 747 HD1 HIS 93 HD1 HIS 93 0.624 -7.294 16.566 748 HD2 HIS 93 HD2 HIS 93 1.514 -3.656 14.777 749 HE1 HIS 93 HE1 HIS 93 -0.613 -5.568 17.893 750 HE2 HIS 93 HE2 HIS 93 0.146 -3.373 16.949 751 H TRP 94 H TRP 94 -0.493 -5.530 13.132 752 HA TRP 94 HA TRP 94 -0.205 -4.404 10.467 753 HB2 TRP 94 2HB TRP 94 -2.390 -4.592 12.451 754 HB3 TRP 94 3HB TRP 94 -2.332 -3.003 11.713 755 HD1 TRP 94 HD1 TRP 94 -4.129 -6.060 11.186 756 HE1 TRP 94 HE1 TRP 94 -4.845 -6.344 8.733 757 HE3 TRP 94 HE3 TRP 94 -1.032 -2.596 9.011 758 HZ2 TRP 94 HZ2 TRP 94 -4.182 -5.258 6.222 759 HZ3 TRP 94 HZ3 TRP 94 -1.130 -2.293 6.574 760 HH2 TRP 94 HH2 TRP 94 -2.677 -3.602 5.218 761 H ASN 95 H ASN 95 -0.400 -2.999 13.749 762 HA ASN 95 HA ASN 95 0.104 -0.316 13.092 763 HB2 ASN 95 2HB ASN 95 -0.937 -1.031 15.203 764 HB3 ASN 95 3HB ASN 95 0.555 -1.805 15.717 765 HD21 ASN 95 1HD2 ASN 95 0.645 -0.575 17.620 766 HD22 ASN 95 2HD2 ASN 95 1.023 1.112 17.624 767 H SER 96 H SER 96 2.306 -2.943 13.248 768 HA SER 96 HA SER 96 4.729 -1.459 13.771 769 HB2 SER 96 2HB SER 96 5.831 -3.631 13.169 770 HB3 SER 96 3HB SER 96 4.577 -3.823 14.393 771 HG SER 96 HG SER 96 4.729 -4.849 11.876 772 H ILE 97 H ILE 97 3.023 -2.738 10.926 773 HA ILE 97 HA ILE 97 4.969 -1.837 8.978 774 HB ILE 97 HB ILE 97 2.090 -2.757 8.458 775 HG12 ILE 97 2HG1 ILE 97 4.640 -4.443 8.563 776 HG13 ILE 97 3HG1 ILE 97 3.279 -4.537 9.676 777 HG21 ILE 97 1HG2 ILE 97 3.154 -1.576 6.555 778 HG22 ILE 97 2HG2 ILE 97 2.854 -3.271 6.183 779 HG23 ILE 97 3HG2 ILE 97 4.485 -2.730 6.585 780 HD11 ILE 97 3HD1 ILE 97 3.230 -5.272 6.744 781 HD12 ILE 97 1HD1 ILE 97 1.842 -5.317 7.837 782 HD13 ILE 97 2HD1 ILE 97 3.220 -6.376 8.118 783 H LYS 98 H LYS 98 2.120 -0.507 10.510 784 HA LYS 98 HA LYS 98 1.085 1.096 8.488 785 HB2 LYS 98 2HB LYS 98 -0.153 0.467 10.570 786 HB3 LYS 98 3HB LYS 98 0.789 1.664 11.461 787 HG2 LYS 98 2HG LYS 98 -0.113 3.460 10.023 788 HG3 LYS 98 3HG LYS 98 -1.018 2.269 9.102 789 HD2 LYS 98 2HD LYS 98 -2.602 3.279 10.534 790 HD3 LYS 98 3HD LYS 98 -2.262 1.710 11.261 791 HE2 LYS 98 2HE LYS 98 -0.945 4.294 12.167 792 HE3 LYS 98 3HE LYS 98 -2.429 3.655 12.868 793 HZ1 LYS 98 3HZ LYS 98 -0.631 2.995 14.219 794 HZ2 LYS 98 1HZ LYS 98 0.242 2.381 12.903 795 HZ3 LYS 98 2HZ LYS 98 -1.177 1.618 13.408 796 HA PRO 99 HA PRO 99 3.538 5.035 10.235 797 HB2 PRO 99 2HB PRO 99 6.084 4.545 11.225 798 HB3 PRO 99 3HB PRO 99 4.644 4.674 12.262 799 HG2 PRO 99 2HG PRO 99 5.976 2.191 11.205 800 HG3 PRO 99 3HG PRO 99 5.403 2.542 12.855 801 HD2 PRO 99 2HD PRO 99 3.924 1.041 11.198 802 HD3 PRO 99 3HD PRO 99 3.150 2.200 12.294 803 H GLU 100 H GLU 100 5.309 2.228 8.983 804 HA GLU 100 HA GLU 100 7.011 3.509 7.142 805 HB2 GLU 100 2HB GLU 100 5.741 0.739 6.988 806 HB3 GLU 100 3HB GLU 100 7.121 1.278 6.036 807 HG2 GLU 100 2HG GLU 100 7.158 1.179 9.066 808 HG3 GLU 100 3HG GLU 100 7.604 -0.199 8.063 809 H ILE 101 H ILE 101 3.748 2.050 6.719 810 HA ILE 101 HA ILE 101 3.417 2.534 3.975 811 HB ILE 101 HB ILE 101 1.239 2.334 6.116 812 HG12 ILE 101 2HG1 ILE 101 2.304 0.157 4.251 813 HG13 ILE 101 3HG1 ILE 101 2.762 0.327 5.941 814 HG21 ILE 101 1HG2 ILE 101 -0.313 1.730 4.268 815 HG22 ILE 101 2HG2 ILE 101 0.966 2.047 3.094 816 HG23 ILE 101 3HG2 ILE 101 0.324 3.367 4.074 817 HD11 ILE 101 3HD1 ILE 101 0.476 -0.115 6.629 818 HD12 ILE 101 1HD1 ILE 101 1.095 -1.415 5.612 819 HD13 ILE 101 2HD1 ILE 101 -0.030 -0.233 4.942 820 H ILE 102 H ILE 102 2.103 4.431 6.739 821 HA ILE 102 HA ILE 102 0.940 6.540 5.334 822 HB ILE 102 HB ILE 102 2.140 6.516 8.144 823 HG12 ILE 102 2HG1 ILE 102 -0.753 6.240 7.175 824 HG13 ILE 102 3HG1 ILE 102 0.249 4.943 7.821 825 HG21 ILE 102 1HG2 ILE 102 2.041 8.851 7.359 826 HG22 ILE 102 2HG2 ILE 102 0.849 8.569 8.625 827 HG23 ILE 102 3HG2 ILE 102 0.338 8.652 6.938 828 HD11 ILE 102 3HD1 ILE 102 0.309 6.116 9.992 829 HD12 ILE 102 1HD1 ILE 102 -1.320 5.675 9.483 830 HD13 ILE 102 2HD1 ILE 102 -0.775 7.345 9.333 831 H ASP 103 H ASP 103 4.303 6.139 6.454 832 HA ASP 103 HA ASP 103 5.294 8.714 5.842 833 HB2 ASP 103 2HB ASP 103 6.536 7.153 7.284 834 HB3 ASP 103 3HB ASP 103 6.747 6.030 5.949 835 H LEU 104 H LEU 104 5.355 5.683 3.951 836 HA LEU 104 HA LEU 104 6.718 6.708 1.691 837 HB2 LEU 104 2HB LEU 104 4.959 4.243 1.997 838 HB3 LEU 104 3HB LEU 104 6.018 4.545 0.622 839 HG LEU 104 HG LEU 104 6.985 4.262 3.495 840 HD11 LEU 104 1HD1 LEU 104 7.055 2.183 1.300 841 HD12 LEU 104 2HD1 LEU 104 6.068 2.142 2.763 842 HD13 LEU 104 3HD1 LEU 104 7.823 2.045 2.886 843 HD21 LEU 104 3HD2 LEU 104 9.222 4.108 2.531 844 HD22 LEU 104 1HD2 LEU 104 8.461 5.641 2.122 845 HD23 LEU 104 2HD2 LEU 104 8.566 4.359 0.912 846 H LEU 105 H LEU 105 3.302 6.439 2.483 847 HA LEU 105 HA LEU 105 2.251 7.295 -0.027 848 HB2 LEU 105 2HB LEU 105 1.125 6.980 2.757 849 HB3 LEU 105 3HB LEU 105 0.222 7.955 1.614 850 HG LEU 105 HG LEU 105 -0.033 6.040 0.093 851 HD11 LEU 105 1HD1 LEU 105 1.468 4.358 2.107 852 HD12 LEU 105 2HD1 LEU 105 2.077 4.873 0.534 853 HD13 LEU 105 3HD1 LEU 105 0.690 3.795 0.626 854 HD21 LEU 105 3HD2 LEU 105 -0.828 5.326 2.931 855 HD22 LEU 105 1HD2 LEU 105 -1.533 4.660 1.453 856 HD23 LEU 105 2HD2 LEU 105 -1.727 6.371 1.829 857 H THR 106 H THR 106 3.600 8.981 2.771 858 HA THR 106 HA THR 106 2.615 11.591 2.044 859 HB THR 106 HB THR 106 4.781 10.672 3.988 860 HG1 THR 106 HG1 THR 106 2.479 10.319 4.447 861 HG21 THR 106 3HG2 THR 106 4.817 12.972 4.887 862 HG22 THR 106 1HG2 THR 106 3.743 13.501 3.587 863 HG23 THR 106 2HG2 THR 106 5.377 12.945 3.216 864 H LYS 107 H LYS 107 5.650 9.734 1.682 865 HA LYS 107 HA LYS 107 7.310 11.725 0.610 866 HB2 LYS 107 2HB LYS 107 7.412 8.691 0.259 867 HB3 LYS 107 3HB LYS 107 8.716 9.781 -0.207 868 HG2 LYS 107 2HG LYS 107 7.673 9.439 2.626 869 HG3 LYS 107 3HG LYS 107 9.090 8.618 1.974 870 HD2 LYS 107 2HD LYS 107 8.791 11.643 2.227 871 HD3 LYS 107 3HD LYS 107 9.647 10.608 3.373 872 HE2 LYS 107 2HE LYS 107 11.230 9.946 1.584 873 HE3 LYS 107 3HE LYS 107 10.381 10.999 0.448 874 HZ1 LYS 107 3HZ LYS 107 12.356 12.061 1.366 875 HZ2 LYS 107 1HZ LYS 107 11.742 11.900 2.931 876 HZ3 LYS 107 2HZ LYS 107 10.958 12.895 1.818 877 H GLN 108 H GLN 108 5.417 9.173 -1.013 878 HA GLN 108 HA GLN 108 5.911 9.681 -3.693 879 HB2 GLN 108 2HB GLN 108 4.680 7.710 -3.013 880 HB3 GLN 108 3HB GLN 108 3.419 8.679 -2.261 881 HG2 GLN 108 2HG GLN 108 2.896 9.546 -4.634 882 HG3 GLN 108 3HG GLN 108 3.933 8.246 -5.214 883 HE21 GLN 108 1HE2 GLN 108 2.160 7.357 -6.287 884 HE22 GLN 108 2HE2 GLN 108 0.921 6.482 -5.465 885 H LEU 109 H LEU 109 3.192 10.892 -1.730 886 HA LEU 109 HA LEU 109 2.090 12.489 -3.831 887 HB2 LEU 109 2HB LEU 109 1.401 12.381 -0.869 888 HB3 LEU 109 3HB LEU 109 0.414 13.139 -2.112 889 HG LEU 109 HG LEU 109 1.053 10.154 -2.014 890 HD11 LEU 109 1HD1 LEU 109 -1.491 11.547 -1.125 891 HD12 LEU 109 2HD1 LEU 109 -0.311 10.748 -0.086 892 HD13 LEU 109 3HD1 LEU 109 -1.251 9.799 -1.234 893 HD21 LEU 109 3HD2 LEU 109 -0.939 11.662 -3.741 894 HD22 LEU 109 1HD2 LEU 109 -0.726 9.909 -3.688 895 HD23 LEU 109 2HD2 LEU 109 0.579 10.933 -4.282 896 H ALA 110 H ALA 110 4.553 13.066 -1.524 897 HA ALA 110 HA ALA 110 4.370 15.930 -1.324 898 HB1 ALA 110 3HB ALA 110 6.739 14.095 -0.784 899 HB2 ALA 110 1HB ALA 110 5.530 14.599 0.400 900 HB3 ALA 110 2HB ALA 110 6.617 15.792 -0.310 901 H TYR 111 H TYR 111 5.868 13.665 -3.559 902 HA TYR 111 HA TYR 111 7.245 15.759 -5.070 903 HB2 TYR 111 2HB TYR 111 6.878 12.791 -5.709 904 HB3 TYR 111 3HB TYR 111 7.915 13.908 -6.593 905 HD1 TYR 111 HD1 TYR 111 9.529 15.322 -4.784 906 HD2 TYR 111 HD2 TYR 111 8.104 11.310 -4.339 907 HE1 TYR 111 HE1 TYR 111 11.396 14.817 -3.258 908 HE2 TYR 111 HE2 TYR 111 9.966 10.817 -2.816 909 HH TYR 111 HH TYR 111 12.213 11.661 -2.292 910 H GLY 112 H GLY 112 4.460 13.574 -5.411 911 HA2 GLY 112 2HA GLY 112 2.844 15.433 -6.788 912 HA3 GLY 112 3HA GLY 112 3.569 14.333 -7.961 913 H GLU 113 H GLU 113 0.817 14.552 -7.513 914 HA GLU 113 HA GLU 113 -0.354 12.699 -5.745 915 HB2 GLU 113 2HB GLU 113 -1.655 14.492 -6.747 916 HB3 GLU 113 3HB GLU 113 -1.327 13.891 -8.370 917 HG2 GLU 113 2HG GLU 113 -2.658 11.835 -7.828 918 HG3 GLU 113 3HG GLU 113 -3.055 12.550 -6.261 919 H ASP 114 H ASP 114 1.157 12.241 -8.850 920 HA ASP 114 HA ASP 114 -0.238 10.039 -9.879 921 HB2 ASP 114 2HB ASP 114 1.632 9.793 -11.453 922 HB3 ASP 114 3HB ASP 114 1.252 11.498 -11.238 923 H VAL 115 H VAL 115 -0.059 7.881 -9.680 924 HA VAL 115 HA VAL 115 1.809 6.694 -7.788 925 HB VAL 115 HB VAL 115 -0.499 5.830 -7.821 926 HG11 VAL 115 1HG1 VAL 115 -1.392 4.469 -9.665 927 HG12 VAL 115 2HG1 VAL 115 0.036 4.834 -10.636 928 HG13 VAL 115 3HG1 VAL 115 -1.074 6.128 -10.183 929 HG21 VAL 115 3HG2 VAL 115 0.010 3.421 -7.822 930 HG22 VAL 115 1HG2 VAL 115 1.318 4.341 -7.069 931 HG23 VAL 115 2HG2 VAL 115 1.504 3.720 -8.713 932 H ILE 116 H ILE 116 1.159 6.680 -11.273 933 HA ILE 116 HA ILE 116 4.015 6.308 -11.871 934 HB ILE 116 HB ILE 116 1.900 4.791 -13.499 935 HG12 ILE 116 2HG1 ILE 116 3.731 3.477 -11.437 936 HG13 ILE 116 3HG1 ILE 116 2.025 3.815 -11.165 937 HG21 ILE 116 1HG2 ILE 116 3.981 5.331 -14.692 938 HG22 ILE 116 2HG2 ILE 116 3.853 3.590 -14.444 939 HG23 ILE 116 3HG2 ILE 116 4.936 4.549 -13.428 940 HD11 ILE 116 3HD1 ILE 116 3.140 1.979 -13.285 941 HD12 ILE 116 1HD1 ILE 116 1.432 2.334 -13.017 942 HD13 ILE 116 2HD1 ILE 116 2.364 1.500 -11.777 943 H SER 117 H SER 117 4.055 8.567 -12.523 944 HA SER 117 HA SER 117 2.229 9.720 -14.393 945 HB2 SER 117 2HB SER 117 4.157 11.400 -14.756 946 HB3 SER 117 3HB SER 117 3.600 11.225 -13.093 947 HG SER 117 HG SER 117 5.420 10.201 -12.553 948 H LYS 118 H LYS 118 5.616 8.910 -14.999 949 HA LYS 118 HA LYS 118 4.853 6.888 -16.995 950 HB2 LYS 118 2HB LYS 118 6.749 7.476 -18.438 951 HB3 LYS 118 3HB LYS 118 5.677 8.861 -18.284 952 HG2 LYS 118 2HG LYS 118 7.270 9.859 -16.615 953 HG3 LYS 118 3HG LYS 118 8.355 8.488 -16.877 954 HD2 LYS 118 2HD LYS 118 8.516 9.135 -19.304 955 HD3 LYS 118 3HD LYS 118 7.510 10.547 -18.969 956 HE2 LYS 118 2HE LYS 118 9.253 11.371 -17.389 957 HE3 LYS 118 3HE LYS 118 10.260 9.980 -17.798 958 HZ1 LYS 118 3HZ LYS 118 10.219 10.778 -20.135 959 HZ2 LYS 118 1HZ LYS 118 10.973 11.852 -19.072 960 HZ3 LYS 118 2HZ LYS 118 9.407 12.168 -19.618 961 H GLU 119 H GLU 119 5.761 7.343 -14.101 962 HA GLU 119 HA GLU 119 7.459 5.208 -13.554 963 HB2 GLU 119 2HB GLU 119 9.211 6.597 -14.603 964 HB3 GLU 119 3HB GLU 119 8.788 7.968 -13.599 965 HG2 GLU 119 2HG GLU 119 9.747 5.441 -12.254 966 HG3 GLU 119 3HG GLU 119 10.925 6.447 -13.091 Start of MODEL 19 1 H1 MET 1 1H MET 1 -16.335 35.571 40.219 2 H2 MET 1 2H MET 1 -15.791 34.074 39.673 3 H3 MET 1 3H MET 1 -17.444 34.358 39.822 4 HA MET 1 HA MET 1 -16.806 34.440 37.532 5 HB2 MET 1 2HB MET 1 -17.469 37.185 38.698 6 HB3 MET 1 3HB MET 1 -17.623 36.765 36.995 7 HG2 MET 1 2HG MET 1 -19.801 36.685 38.065 8 HG3 MET 1 3HG MET 1 -19.322 35.062 37.577 9 HE1 MET 1 3HE MET 1 -19.269 36.533 41.976 10 HE2 MET 1 1HE MET 1 -19.830 37.523 40.629 11 HE3 MET 1 2HE MET 1 -18.116 37.130 40.782 12 H GLY 2 H GLY 2 -15.076 34.568 36.221 13 HA2 GLY 2 2HA GLY 2 -13.398 36.224 35.283 14 HA3 GLY 2 3HA GLY 2 -12.802 36.355 36.931 15 H HIS 3 H HIS 3 -12.613 34.615 34.002 16 HA HIS 3 HA HIS 3 -10.455 32.948 35.069 17 HB2 HIS 3 2HB HIS 3 -12.868 31.833 33.564 18 HB3 HIS 3 3HB HIS 3 -11.323 30.989 33.591 19 HD1 HIS 3 HD1 HIS 3 -14.407 31.460 35.511 20 HD2 HIS 3 HD2 HIS 3 -10.545 30.114 36.249 21 HE1 HIS 3 HE1 HIS 3 -14.521 30.247 37.710 22 HE2 HIS 3 HE2 HIS 3 -12.208 29.321 38.055 23 H HIS 4 H HIS 4 -8.830 33.843 33.950 24 HA HIS 4 HA HIS 4 -9.009 34.729 31.219 25 HB2 HIS 4 2HB HIS 4 -6.624 34.330 33.085 26 HB3 HIS 4 3HB HIS 4 -6.457 34.912 31.431 27 HD1 HIS 4 HD1 HIS 4 -7.267 36.046 34.850 28 HD2 HIS 4 HD2 HIS 4 -7.604 37.516 30.978 29 HE1 HIS 4 HE1 HIS 4 -7.650 38.516 35.093 30 HE2 HIS 4 HE2 HIS 4 -7.748 39.391 32.744 31 H HIS 5 H HIS 5 -8.853 33.459 29.451 32 HA HIS 5 HA HIS 5 -7.865 30.688 29.627 33 HB2 HIS 5 2HB HIS 5 -9.215 32.162 27.311 34 HB3 HIS 5 3HB HIS 5 -8.829 30.443 27.349 35 HD1 HIS 5 HD1 HIS 5 -11.428 32.857 28.294 36 HD2 HIS 5 HD2 HIS 5 -10.409 28.952 29.286 37 HE1 HIS 5 HE1 HIS 5 -13.451 31.896 29.429 38 HE2 HIS 5 HE2 HIS 5 -12.846 29.502 29.910 39 H HIS 6 H HIS 6 -5.705 30.603 29.494 40 HA HIS 6 HA HIS 6 -4.059 32.599 28.360 41 HB2 HIS 6 2HB HIS 6 -3.313 31.084 30.222 42 HB3 HIS 6 3HB HIS 6 -3.255 29.743 29.082 43 HD1 HIS 6 HD1 HIS 6 -0.923 29.327 28.259 44 HD2 HIS 6 HD2 HIS 6 -1.555 33.343 29.138 45 HE1 HIS 6 HE1 HIS 6 1.267 30.482 27.811 46 HE2 HIS 6 HE2 HIS 6 0.899 32.867 28.511 47 H HIS 7 H HIS 7 -4.014 32.991 26.267 48 HA HIS 7 HA HIS 7 -4.513 31.224 24.129 49 HB2 HIS 7 2HB HIS 7 -2.915 33.826 24.146 50 HB3 HIS 7 3HB HIS 7 -3.459 32.992 22.691 51 HD1 HIS 7 HD1 HIS 7 -6.005 33.067 22.161 52 HD2 HIS 7 HD2 HIS 7 -4.892 35.336 25.464 53 HE1 HIS 7 HE1 HIS 7 -7.948 34.585 22.627 54 HE2 HIS 7 HE2 HIS 7 -7.321 35.800 24.737 55 H HIS 8 H HIS 8 -3.286 29.727 23.235 56 HA HIS 8 HA HIS 8 -0.725 29.030 24.449 57 HB2 HIS 8 2HB HIS 8 -2.257 27.512 22.282 58 HB3 HIS 8 3HB HIS 8 -1.054 26.863 23.395 59 HD1 HIS 8 HD1 HIS 8 -4.619 27.146 22.939 60 HD2 HIS 8 HD2 HIS 8 -2.095 26.974 26.233 61 HE1 HIS 8 HE1 HIS 8 -6.080 26.510 24.876 62 HE2 HIS 8 HE2 HIS 8 -4.562 26.590 26.867 63 H SER 9 H SER 9 1.083 28.309 23.033 64 HA SER 9 HA SER 9 1.912 30.146 21.064 65 HB2 SER 9 2HB SER 9 3.484 28.712 22.377 66 HB3 SER 9 3HB SER 9 2.886 27.287 21.535 67 HG SER 9 HG SER 9 4.867 28.191 20.680 68 H HIS 10 H HIS 10 1.433 30.262 18.906 69 HA HIS 10 HA HIS 10 -0.681 28.626 17.837 70 HB2 HIS 10 2HB HIS 10 0.955 30.815 16.476 71 HB3 HIS 10 3HB HIS 10 -0.518 30.097 15.831 72 HD1 HIS 10 HD1 HIS 10 0.637 32.881 17.845 73 HD2 HIS 10 HD2 HIS 10 -2.863 30.656 17.592 74 HE1 HIS 10 HE1 HIS 10 -1.125 34.265 18.980 75 HE2 HIS 10 HE2 HIS 10 -3.258 32.978 18.631 76 H MET 11 H MET 11 0.338 26.559 17.906 77 HA MET 11 HA MET 11 2.754 25.992 16.423 78 HB2 MET 11 2HB MET 11 2.182 24.775 18.524 79 HB3 MET 11 3HB MET 11 0.778 24.067 17.737 80 HG2 MET 11 2HG MET 11 2.254 22.885 16.155 81 HG3 MET 11 3HG MET 11 3.665 23.609 16.931 82 HE1 MET 11 3HE MET 11 3.890 19.835 18.021 83 HE2 MET 11 1HE MET 11 4.793 21.191 17.343 84 HE3 MET 11 2HE MET 11 3.423 20.511 16.462 85 H ASN 12 H ASN 12 2.779 25.831 14.311 86 HA ASN 12 HA ASN 12 0.556 24.552 12.799 87 HB2 ASN 12 2HB ASN 12 1.095 26.150 10.938 88 HB3 ASN 12 3HB ASN 12 0.520 26.969 12.385 89 HD21 ASN 12 1HD2 ASN 12 2.004 28.163 13.636 90 HD22 ASN 12 2HD2 ASN 12 3.511 28.708 12.990 91 H SER 13 H SER 13 2.736 23.230 13.933 92 HA SER 13 HA SER 13 4.964 22.950 12.123 93 HB2 SER 13 2HB SER 13 4.247 21.291 14.580 94 HB3 SER 13 3HB SER 13 5.828 21.400 13.801 95 HG SER 13 HG SER 13 5.091 23.871 14.362 96 H GLN 14 H GLN 14 1.918 21.841 11.809 97 HA GLN 14 HA GLN 14 2.089 19.103 11.197 98 HB2 GLN 14 2HB GLN 14 -0.040 20.357 11.589 99 HB3 GLN 14 3HB GLN 14 0.189 21.205 10.067 100 HG2 GLN 14 2HG GLN 14 -0.031 19.077 8.838 101 HG3 GLN 14 3HG GLN 14 -0.246 18.213 10.358 102 HE21 GLN 14 1HE2 GLN 14 -2.041 18.360 8.077 103 HE22 GLN 14 2HE2 GLN 14 -3.532 18.996 8.674 104 H ARG 15 H ARG 15 3.991 18.798 10.024 105 HA ARG 15 HA ARG 15 3.995 19.660 7.182 106 HB2 ARG 15 2HB ARG 15 5.947 20.497 8.518 107 HB3 ARG 15 3HB ARG 15 6.368 18.836 8.916 108 HG2 ARG 15 2HG ARG 15 6.695 18.391 6.462 109 HG3 ARG 15 3HG ARG 15 6.417 20.106 6.155 110 HD2 ARG 15 2HD ARG 15 8.399 20.700 7.451 111 HD3 ARG 15 3HD ARG 15 8.632 19.014 7.931 112 HE ARG 15 HE ARG 15 8.701 19.701 5.074 113 HH11 ARG 15 1HH1 ARG 15 10.507 18.699 7.928 114 HH12 ARG 15 2HH1 ARG 15 11.903 18.213 7.022 115 HH21 ARG 15 1HH2 ARG 15 10.522 19.027 3.898 116 HH22 ARG 15 2HH2 ARG 15 11.913 18.399 4.730 117 H LEU 16 H LEU 16 2.376 17.880 7.184 118 HA LEU 16 HA LEU 16 3.556 15.619 5.881 119 HB2 LEU 16 2HB LEU 16 2.590 13.824 7.164 120 HB3 LEU 16 3HB LEU 16 3.533 14.797 8.271 121 HG LEU 16 HG LEU 16 0.492 15.003 8.069 122 HD11 LEU 16 1HD1 LEU 16 1.090 12.712 8.739 123 HD12 LEU 16 2HD1 LEU 16 0.329 13.589 10.064 124 HD13 LEU 16 3HD1 LEU 16 2.079 13.342 10.060 125 HD21 LEU 16 3HD2 LEU 16 1.572 16.970 9.085 126 HD22 LEU 16 1HD2 LEU 16 2.385 15.932 10.257 127 HD23 LEU 16 2HD2 LEU 16 0.625 16.079 10.273 128 H ILE 17 H ILE 17 1.893 14.283 4.868 129 HA ILE 17 HA ILE 17 -0.503 15.800 4.081 130 HB ILE 17 HB ILE 17 0.895 13.355 2.894 131 HG12 ILE 17 2HG1 ILE 17 0.541 16.212 1.882 132 HG13 ILE 17 3HG1 ILE 17 2.014 15.549 2.575 133 HG21 ILE 17 1HG2 ILE 17 -1.624 14.698 1.853 134 HG22 ILE 17 2HG2 ILE 17 -1.527 13.076 2.540 135 HG23 ILE 17 3HG2 ILE 17 -0.712 13.440 1.017 136 HD11 ILE 17 3HD1 ILE 17 0.733 14.753 -0.025 137 HD12 ILE 17 1HD1 ILE 17 2.165 13.999 0.682 138 HD13 ILE 17 2HD1 ILE 17 2.203 15.695 0.213 139 H HIS 18 H HIS 18 -2.530 15.114 4.665 140 HA HIS 18 HA HIS 18 -2.622 13.512 7.055 141 HB2 HIS 18 2HB HIS 18 -3.850 15.699 6.737 142 HB3 HIS 18 3HB HIS 18 -4.919 14.891 5.597 143 HD1 HIS 18 HD1 HIS 18 -7.059 14.243 6.651 144 HD2 HIS 18 HD2 HIS 18 -3.937 14.212 9.396 145 HE1 HIS 18 HE1 HIS 18 -8.093 13.602 8.851 146 HE2 HIS 18 HE2 HIS 18 -6.187 13.599 10.493 147 H ILE 19 H ILE 19 -2.925 11.393 7.054 148 HA ILE 19 HA ILE 19 -4.173 10.009 4.750 149 HB ILE 19 HB ILE 19 -1.664 9.169 6.288 150 HG12 ILE 19 2HG1 ILE 19 -1.168 10.854 4.554 151 HG13 ILE 19 3HG1 ILE 19 -0.508 9.296 4.081 152 HG21 ILE 19 1HG2 ILE 19 -3.020 7.183 5.852 153 HG22 ILE 19 2HG2 ILE 19 -1.594 7.171 4.816 154 HG23 ILE 19 3HG2 ILE 19 -3.166 7.616 4.147 155 HD11 ILE 19 3HD1 ILE 19 -2.382 8.989 2.515 156 HD12 ILE 19 1HD1 ILE 19 -1.475 10.467 2.190 157 HD13 ILE 19 2HD1 ILE 19 -3.035 10.556 3.003 158 H LYS 20 H LYS 20 -5.975 9.035 5.458 159 HA LYS 20 HA LYS 20 -6.456 8.689 8.325 160 HB2 LYS 20 2HB LYS 20 -8.106 9.999 7.097 161 HB3 LYS 20 3HB LYS 20 -8.278 8.745 5.873 162 HG2 LYS 20 2HG LYS 20 -9.300 7.244 7.557 163 HG3 LYS 20 3HG LYS 20 -9.130 8.501 8.784 164 HD2 LYS 20 2HD LYS 20 -10.753 8.820 6.234 165 HD3 LYS 20 3HD LYS 20 -11.443 8.311 7.774 166 HE2 LYS 20 2HE LYS 20 -10.038 10.966 7.286 167 HE3 LYS 20 3HE LYS 20 -11.787 10.730 7.333 168 HZ1 LYS 20 3HZ LYS 20 -10.961 11.540 9.445 169 HZ2 LYS 20 1HZ LYS 20 -9.920 10.211 9.584 170 HZ3 LYS 20 2HZ LYS 20 -11.588 9.985 9.621 171 H THR 21 H THR 21 -6.460 6.683 9.210 172 HA THR 21 HA THR 21 -6.084 4.320 7.506 173 HB THR 21 HB THR 21 -5.843 4.701 10.527 174 HG1 THR 21 HG1 THR 21 -4.118 4.899 8.361 175 HG21 THR 21 3HG2 THR 21 -5.199 2.240 8.850 176 HG22 THR 21 1HG2 THR 21 -6.485 2.357 10.057 177 HG23 THR 21 2HG2 THR 21 -4.794 2.444 10.554 178 H LEU 22 H LEU 22 -7.765 3.094 6.980 179 HA LEU 22 HA LEU 22 -10.189 2.961 8.679 180 HB2 LEU 22 2HB LEU 22 -10.090 3.127 5.634 181 HB3 LEU 22 3HB LEU 22 -11.544 2.814 6.569 182 HG LEU 22 HG LEU 22 -9.930 5.392 6.635 183 HD11 LEU 22 1HD1 LEU 22 -11.827 6.392 5.452 184 HD12 LEU 22 2HD1 LEU 22 -12.617 4.815 5.351 185 HD13 LEU 22 3HD1 LEU 22 -11.091 5.099 4.507 186 HD21 LEU 22 3HD2 LEU 22 -11.801 6.300 7.962 187 HD22 LEU 22 1HD2 LEU 22 -10.988 4.976 8.793 188 HD23 LEU 22 2HD2 LEU 22 -12.545 4.701 8.011 189 H THR 23 H THR 23 -11.001 0.945 8.939 190 HA THR 23 HA THR 23 -9.463 -1.346 8.019 191 HB THR 23 HB THR 23 -11.046 -2.657 9.473 192 HG1 THR 23 HG1 THR 23 -12.768 -1.735 10.363 193 HG21 THR 23 3HG2 THR 23 -8.992 -1.707 10.487 194 HG22 THR 23 1HG2 THR 23 -10.325 -1.732 11.650 195 HG23 THR 23 2HG2 THR 23 -9.862 -0.221 10.867 196 H THR 24 H THR 24 -10.523 -3.201 7.010 197 HA THR 24 HA THR 24 -12.810 -2.529 5.238 198 HB THR 24 HB THR 24 -11.912 -4.125 3.603 199 HG1 THR 24 HG1 THR 24 -9.930 -4.630 5.581 200 HG21 THR 24 3HG2 THR 24 -10.961 -1.844 3.430 201 HG22 THR 24 1HG2 THR 24 -9.774 -3.059 2.953 202 HG23 THR 24 2HG2 THR 24 -9.663 -2.294 4.540 203 HA PRO 25 HA PRO 25 -15.023 -6.191 6.975 204 HB2 PRO 25 2HB PRO 25 -15.503 -6.931 4.083 205 HB3 PRO 25 3HB PRO 25 -16.666 -6.788 5.421 206 HG2 PRO 25 2HG PRO 25 -16.562 -4.902 3.566 207 HG3 PRO 25 3HG PRO 25 -16.752 -4.443 5.278 208 HD2 PRO 25 2HD PRO 25 -14.274 -4.361 3.557 209 HD3 PRO 25 3HD PRO 25 -14.856 -3.177 4.750 210 H ASN 26 H ASN 26 -12.396 -6.419 4.697 211 HA ASN 26 HA ASN 26 -11.988 -9.283 4.999 212 HB2 ASN 26 2HB ASN 26 -11.420 -8.172 2.860 213 HB3 ASN 26 3HB ASN 26 -10.237 -7.165 3.682 214 HD21 ASN 26 1HD2 ASN 26 -10.973 -10.409 2.587 215 HD22 ASN 26 2HD2 ASN 26 -9.363 -11.032 2.709 216 H GLU 27 H GLU 27 -10.162 -10.225 5.986 217 HA GLU 27 HA GLU 27 -9.573 -9.262 8.586 218 HB2 GLU 27 2HB GLU 27 -8.071 -11.320 8.705 219 HB3 GLU 27 3HB GLU 27 -9.746 -11.631 8.274 220 HG2 GLU 27 2HG GLU 27 -9.162 -11.905 5.938 221 HG3 GLU 27 3HG GLU 27 -7.498 -11.431 6.256 222 H ASN 28 H ASN 28 -7.481 -9.554 5.683 223 HA ASN 28 HA ASN 28 -5.202 -8.380 7.182 224 HB2 ASN 28 2HB ASN 28 -5.109 -10.147 4.693 225 HB3 ASN 28 3HB ASN 28 -3.724 -9.553 5.600 226 HD21 ASN 28 1HD2 ASN 28 -5.097 -10.120 8.237 227 HD22 ASN 28 2HD2 ASN 28 -5.033 -11.835 8.395 228 H ALA 29 H ALA 29 -7.465 -7.101 5.535 229 HA ALA 29 HA ALA 29 -5.778 -5.467 3.732 230 HB1 ALA 29 3HB ALA 29 -7.905 -4.891 2.575 231 HB2 ALA 29 1HB ALA 29 -8.775 -5.989 3.643 232 HB3 ALA 29 2HB ALA 29 -7.565 -6.618 2.524 233 H LEU 30 H LEU 30 -5.419 -3.428 4.347 234 HA LEU 30 HA LEU 30 -7.316 -1.970 6.101 235 HB2 LEU 30 2HB LEU 30 -5.390 -2.863 7.472 236 HB3 LEU 30 3HB LEU 30 -4.281 -2.001 6.427 237 HG LEU 30 HG LEU 30 -5.403 0.171 7.218 238 HD11 LEU 30 1HD1 LEU 30 -6.647 0.100 9.325 239 HD12 LEU 30 2HD1 LEU 30 -6.615 -1.664 9.294 240 HD13 LEU 30 3HD1 LEU 30 -7.488 -0.774 8.045 241 HD21 LEU 30 3HD2 LEU 30 -3.961 -1.510 9.302 242 HD22 LEU 30 1HD2 LEU 30 -4.135 0.248 9.330 243 HD23 LEU 30 2HD2 LEU 30 -3.202 -0.522 8.050 244 H LYS 31 H LYS 31 -7.905 -0.217 4.941 245 HA LYS 31 HA LYS 31 -6.186 0.686 2.737 246 HB2 LYS 31 2HB LYS 31 -8.195 1.885 1.920 247 HB3 LYS 31 3HB LYS 31 -8.465 0.157 2.118 248 HG2 LYS 31 2HG LYS 31 -9.639 0.583 4.248 249 HG3 LYS 31 3HG LYS 31 -9.383 2.319 4.031 250 HD2 LYS 31 2HD LYS 31 -10.735 2.273 1.966 251 HD3 LYS 31 3HD LYS 31 -10.966 0.531 2.147 252 HE2 LYS 31 2HE LYS 31 -12.166 0.903 4.258 253 HE3 LYS 31 3HE LYS 31 -11.912 2.642 4.105 254 HZ1 LYS 31 3HZ LYS 31 -13.471 0.943 2.241 255 HZ2 LYS 31 1HZ LYS 31 -13.203 2.599 2.055 256 HZ3 LYS 31 2HZ LYS 31 -14.106 2.027 3.369 257 H PHE 32 H PHE 32 -5.691 2.842 2.398 258 HA PHE 32 HA PHE 32 -5.753 4.649 4.742 259 HB2 PHE 32 2HB PHE 32 -3.474 4.088 2.785 260 HB3 PHE 32 3HB PHE 32 -3.464 5.411 3.944 261 HD1 PHE 32 HD2 PHE 32 -3.375 1.703 3.607 262 HD2 PHE 32 HD1 PHE 32 -2.971 5.025 6.279 263 HE1 PHE 32 HE2 PHE 32 -2.426 0.218 5.324 264 HE2 PHE 32 HE1 PHE 32 -2.028 3.527 7.984 265 HZ PHE 32 HZ PHE 32 -1.752 1.128 7.509 266 H LEU 33 H LEU 33 -6.562 6.602 4.264 267 HA LEU 33 HA LEU 33 -7.632 6.971 1.547 268 HB2 LEU 33 2HB LEU 33 -9.176 6.539 3.524 269 HB3 LEU 33 3HB LEU 33 -8.638 8.063 4.209 270 HG LEU 33 HG LEU 33 -9.553 9.215 2.121 271 HD11 LEU 33 1HD1 LEU 33 -10.788 6.501 1.596 272 HD12 LEU 33 2HD1 LEU 33 -9.566 7.310 0.610 273 HD13 LEU 33 3HD1 LEU 33 -11.180 8.001 0.753 274 HD21 LEU 33 3HD2 LEU 33 -10.794 9.246 4.241 275 HD22 LEU 33 1HD2 LEU 33 -11.574 7.716 3.825 276 HD23 LEU 33 2HD2 LEU 33 -11.890 9.165 2.865 277 H SER 34 H SER 34 -6.947 8.705 0.422 278 HA SER 34 HA SER 34 -5.216 10.723 1.631 279 HB2 SER 34 2HB SER 34 -5.029 11.484 -0.808 280 HB3 SER 34 3HB SER 34 -4.465 9.846 -0.483 281 HG SER 34 HG SER 34 -7.141 10.082 -1.202 282 H THR 35 H THR 35 -6.207 12.376 2.664 283 HA THR 35 HA THR 35 -9.008 13.063 2.031 284 HB THR 35 HB THR 35 -8.982 14.156 4.296 285 HG1 THR 35 HG1 THR 35 -6.265 13.694 4.010 286 HG21 THR 35 3HG2 THR 35 -8.784 12.088 5.652 287 HG22 THR 35 1HG2 THR 35 -7.958 11.286 4.317 288 HG23 THR 35 2HG2 THR 35 -9.646 11.773 4.142 289 H ASP 36 H ASP 36 -6.004 14.269 1.261 290 HA ASP 36 HA ASP 36 -6.358 17.063 1.901 291 HB2 ASP 36 2HB ASP 36 -4.168 15.591 0.357 292 HB3 ASP 36 3HB ASP 36 -4.115 17.307 0.756 293 H GLY 37 H GLY 37 -6.774 15.070 -0.966 294 HA2 GLY 37 2HA GLY 37 -8.167 16.002 -2.800 295 HA3 GLY 37 3HA GLY 37 -7.197 17.470 -2.694 296 H GLU 38 H GLU 38 -4.759 15.856 -2.159 297 HA GLU 38 HA GLU 38 -3.844 15.133 -4.746 298 HB2 GLU 38 2HB GLU 38 -2.787 14.644 -1.934 299 HB3 GLU 38 3HB GLU 38 -1.971 13.968 -3.339 300 HG2 GLU 38 2HG GLU 38 -0.936 16.065 -2.510 301 HG3 GLU 38 3HG GLU 38 -1.456 16.165 -4.187 302 H MET 39 H MET 39 -5.116 13.638 -5.716 303 HA MET 39 HA MET 39 -6.107 11.249 -4.400 304 HB2 MET 39 2HB MET 39 -7.316 12.587 -6.224 305 HB3 MET 39 3HB MET 39 -6.162 11.934 -7.374 306 HG2 MET 39 2HG MET 39 -6.978 9.661 -6.915 307 HG3 MET 39 3HG MET 39 -8.107 10.304 -5.715 308 HE1 MET 39 3HE MET 39 -10.589 9.345 -8.604 309 HE2 MET 39 1HE MET 39 -10.285 9.246 -6.871 310 HE3 MET 39 2HE MET 39 -9.202 8.436 -8.006 311 H LEU 40 H LEU 40 -5.293 9.161 -4.638 312 HA LEU 40 HA LEU 40 -2.539 8.773 -5.061 313 HB2 LEU 40 2HB LEU 40 -4.763 6.707 -5.115 314 HB3 LEU 40 3HB LEU 40 -3.050 6.336 -4.970 315 HG LEU 40 HG LEU 40 -4.666 7.891 -2.911 316 HD11 LEU 40 1HD1 LEU 40 -3.739 5.003 -2.916 317 HD12 LEU 40 2HD1 LEU 40 -5.403 5.585 -3.040 318 HD13 LEU 40 3HD1 LEU 40 -4.493 5.841 -1.552 319 HD21 LEU 40 3HD2 LEU 40 -1.819 6.825 -2.751 320 HD22 LEU 40 1HD2 LEU 40 -2.713 7.602 -1.442 321 HD23 LEU 40 2HD2 LEU 40 -2.287 8.522 -2.882 322 H GLN 41 H GLN 41 -5.264 8.388 -7.218 323 HA GLN 41 HA GLN 41 -3.804 8.511 -9.620 324 HB2 GLN 41 2HB GLN 41 -3.065 6.242 -9.011 325 HB3 GLN 41 3HB GLN 41 -4.729 5.719 -8.781 326 HG2 GLN 41 2HG GLN 41 -5.178 5.753 -11.117 327 HG3 GLN 41 3HG GLN 41 -3.729 6.698 -11.466 328 HE21 GLN 41 1HE2 GLN 41 -4.897 3.533 -10.465 329 HE22 GLN 41 2HE2 GLN 41 -3.485 2.668 -10.956 330 H THR 42 H THR 42 -5.197 8.426 -11.466 331 HA THR 42 HA THR 42 -7.725 9.462 -11.358 332 HB THR 42 HB THR 42 -6.477 9.482 -13.442 333 HG1 THR 42 HG1 THR 42 -8.242 8.282 -14.789 334 HG21 THR 42 3HG2 THR 42 -6.133 7.469 -14.834 335 HG22 THR 42 1HG2 THR 42 -6.810 6.459 -13.549 336 HG23 THR 42 2HG2 THR 42 -5.296 7.328 -13.287 337 H ARG 43 H ARG 43 -9.777 8.676 -11.484 338 HA ARG 43 HA ARG 43 -10.467 6.306 -10.103 339 HB2 ARG 43 2HB ARG 43 -12.808 6.956 -10.625 340 HB3 ARG 43 3HB ARG 43 -11.859 8.302 -10.007 341 HG2 ARG 43 2HG ARG 43 -11.550 9.096 -12.379 342 HG3 ARG 43 3HG ARG 43 -12.660 7.825 -12.892 343 HD2 ARG 43 2HD ARG 43 -14.454 8.828 -11.535 344 HD3 ARG 43 3HD ARG 43 -13.346 10.086 -10.973 345 HE ARG 43 HE ARG 43 -14.628 9.875 -13.576 346 HH11 ARG 43 1HH1 ARG 43 -12.089 11.500 -11.736 347 HH12 ARG 43 2HH1 ARG 43 -12.001 12.840 -12.833 348 HH21 ARG 43 1HH2 ARG 43 -14.506 11.664 -14.971 349 HH22 ARG 43 2HH2 ARG 43 -13.363 12.929 -14.654 350 H GLY 44 H GLY 44 -9.739 6.856 -13.423 351 HA2 GLY 44 2HA GLY 44 -11.312 4.924 -14.737 352 HA3 GLY 44 3HA GLY 44 -9.791 5.569 -15.319 353 H SER 45 H SER 45 -8.630 4.434 -12.635 354 HA SER 45 HA SER 45 -7.887 1.798 -13.559 355 HB2 SER 45 2HB SER 45 -6.679 1.669 -11.361 356 HB3 SER 45 3HB SER 45 -6.297 3.148 -12.241 357 HG SER 45 HG SER 45 -7.923 4.169 -10.897 358 H LYS 46 H LYS 46 -8.236 -0.200 -12.110 359 HA LYS 46 HA LYS 46 -10.879 -0.188 -10.799 360 HB2 LYS 46 2HB LYS 46 -11.718 -2.097 -12.095 361 HB3 LYS 46 3HB LYS 46 -11.382 -0.734 -13.138 362 HG2 LYS 46 2HG LYS 46 -9.586 -3.171 -12.887 363 HG3 LYS 46 3HG LYS 46 -10.830 -2.970 -14.117 364 HD2 LYS 46 2HD LYS 46 -9.615 -0.911 -14.919 365 HD3 LYS 46 3HD LYS 46 -8.323 -1.281 -13.773 366 HE2 LYS 46 2HE LYS 46 -9.226 -3.069 -16.066 367 HE3 LYS 46 3HE LYS 46 -7.777 -2.067 -16.053 368 HZ1 LYS 46 3HZ LYS 46 -8.327 -4.385 -14.275 369 HZ2 LYS 46 1HZ LYS 46 -6.967 -3.392 -14.167 370 HZ3 LYS 46 2HZ LYS 46 -7.215 -4.331 -15.548 371 H SER 47 H SER 47 -9.443 -0.326 -8.936 372 HA SER 47 HA SER 47 -8.322 -1.327 -7.238 373 HB2 SER 47 2HB SER 47 -10.030 -3.697 -8.120 374 HB3 SER 47 3HB SER 47 -9.186 -3.590 -6.573 375 HG SER 47 HG SER 47 -10.864 -1.462 -7.255 376 H ILE 48 H ILE 48 -6.346 -1.060 -8.571 377 HA ILE 48 HA ILE 48 -5.308 -3.319 -10.055 378 HB ILE 48 HB ILE 48 -3.865 -0.756 -9.241 379 HG12 ILE 48 2HG1 ILE 48 -5.275 -1.467 -11.854 380 HG13 ILE 48 3HG1 ILE 48 -5.848 -0.307 -10.663 381 HG21 ILE 48 1HG2 ILE 48 -3.094 -2.839 -11.325 382 HG22 ILE 48 2HG2 ILE 48 -2.271 -2.555 -9.790 383 HG23 ILE 48 3HG2 ILE 48 -2.250 -1.312 -11.039 384 HD11 ILE 48 3HD1 ILE 48 -4.871 0.808 -12.556 385 HD12 ILE 48 1HD1 ILE 48 -3.343 -0.044 -12.328 386 HD13 ILE 48 2HD1 ILE 48 -3.904 1.112 -11.116 387 H VAL 49 H VAL 49 -4.900 -5.054 -8.831 388 HA VAL 49 HA VAL 49 -3.705 -4.905 -6.191 389 HB VAL 49 HB VAL 49 -4.432 -7.332 -7.917 390 HG11 VAL 49 1HG1 VAL 49 -2.695 -7.908 -6.266 391 HG12 VAL 49 2HG1 VAL 49 -4.232 -8.669 -5.854 392 HG13 VAL 49 3HG1 VAL 49 -3.690 -7.244 -4.965 393 HG21 VAL 49 3HG2 VAL 49 -6.419 -7.547 -6.476 394 HG22 VAL 49 1HG2 VAL 49 -6.411 -5.992 -7.311 395 HG23 VAL 49 2HG2 VAL 49 -5.965 -6.080 -5.605 396 H ILE 50 H ILE 50 -1.548 -4.924 -5.887 397 HA ILE 50 HA ILE 50 0.263 -5.574 -8.145 398 HB ILE 50 HB ILE 50 0.899 -4.044 -5.568 399 HG12 ILE 50 2HG1 ILE 50 0.307 -2.841 -8.315 400 HG13 ILE 50 3HG1 ILE 50 -0.811 -2.833 -6.955 401 HG21 ILE 50 1HG2 ILE 50 2.472 -4.293 -8.159 402 HG22 ILE 50 2HG2 ILE 50 2.876 -5.051 -6.616 403 HG23 ILE 50 3HG2 ILE 50 2.920 -3.297 -6.777 404 HD11 ILE 50 3HD1 ILE 50 0.753 -1.476 -5.666 405 HD12 ILE 50 1HD1 ILE 50 0.302 -0.706 -7.183 406 HD13 ILE 50 2HD1 ILE 50 1.880 -1.476 -7.029 407 H LYS 51 H LYS 51 0.920 -7.720 -7.951 408 HA LYS 51 HA LYS 51 1.021 -9.094 -5.400 409 HB2 LYS 51 2HB LYS 51 1.910 -9.963 -8.188 410 HB3 LYS 51 3HB LYS 51 1.796 -11.027 -6.792 411 HG2 LYS 51 2HG LYS 51 -0.639 -10.725 -6.726 412 HG3 LYS 51 3HG LYS 51 -0.549 -9.574 -8.064 413 HD2 LYS 51 2HD LYS 51 0.326 -11.376 -9.547 414 HD3 LYS 51 3HD LYS 51 0.213 -12.526 -8.214 415 HE2 LYS 51 2HE LYS 51 -2.219 -12.288 -8.169 416 HE3 LYS 51 3HE LYS 51 -2.148 -11.027 -9.401 417 HZ1 LYS 51 3HZ LYS 51 -1.256 -12.675 -10.958 418 HZ2 LYS 51 1HZ LYS 51 -2.777 -13.124 -10.372 419 HZ3 LYS 51 2HZ LYS 51 -1.393 -13.876 -9.777 420 H ASN 52 H ASN 52 2.890 -9.598 -4.205 421 HA ASN 52 HA ASN 52 5.295 -8.144 -4.611 422 HB2 ASN 52 2HB ASN 52 6.213 -9.405 -2.703 423 HB3 ASN 52 3HB ASN 52 4.583 -8.850 -2.365 424 HD21 ASN 52 1HD2 ASN 52 4.455 -10.356 -0.685 425 HD22 ASN 52 2HD2 ASN 52 4.169 -12.036 -0.974 426 H THR 53 H THR 53 4.208 -11.206 -5.779 427 HA THR 53 HA THR 53 6.816 -12.168 -6.624 428 HB THR 53 HB THR 53 5.134 -13.793 -5.875 429 HG1 THR 53 HG1 THR 53 6.555 -13.982 -8.089 430 HG21 THR 53 3HG2 THR 53 3.487 -12.970 -8.293 431 HG22 THR 53 1HG2 THR 53 3.076 -12.638 -6.605 432 HG23 THR 53 2HG2 THR 53 3.124 -14.301 -7.193 433 H ASP 54 H ASP 54 4.389 -10.104 -7.944 434 HA ASP 54 HA ASP 54 5.131 -10.622 -10.752 435 HB2 ASP 54 2HB ASP 54 2.689 -10.308 -10.037 436 HB3 ASP 54 3HB ASP 54 3.070 -8.620 -9.737 437 H GLU 55 H GLU 55 7.173 -9.822 -10.850 438 HA GLU 55 HA GLU 55 8.281 -7.526 -9.867 439 HB2 GLU 55 2HB GLU 55 9.554 -9.316 -10.980 440 HB3 GLU 55 3HB GLU 55 8.863 -8.869 -12.536 441 HG2 GLU 55 2HG GLU 55 10.016 -6.663 -12.392 442 HG3 GLU 55 3HG GLU 55 10.721 -7.149 -10.852 443 H ASN 56 H ASN 56 6.252 -7.801 -12.784 444 HA ASN 56 HA ASN 56 7.110 -5.392 -14.051 445 HB2 ASN 56 2HB ASN 56 6.110 -7.331 -15.277 446 HB3 ASN 56 3HB ASN 56 4.550 -7.000 -14.529 447 HD21 ASN 56 1HD2 ASN 56 3.479 -6.578 -16.463 448 HD22 ASN 56 2HD2 ASN 56 3.813 -5.205 -17.458 449 H LEU 57 H LEU 57 4.213 -6.183 -12.110 450 HA LEU 57 HA LEU 57 2.895 -3.685 -12.245 451 HB2 LEU 57 2HB LEU 57 2.843 -5.791 -10.054 452 HB3 LEU 57 3HB LEU 57 1.723 -4.441 -10.144 453 HG LEU 57 HG LEU 57 1.935 -6.700 -12.179 454 HD11 LEU 57 1HD1 LEU 57 0.972 -7.479 -10.077 455 HD12 LEU 57 2HD1 LEU 57 -0.258 -7.417 -11.336 456 HD13 LEU 57 3HD1 LEU 57 -0.203 -6.159 -10.097 457 HD21 LEU 57 3HD2 LEU 57 1.249 -4.633 -13.269 458 HD22 LEU 57 1HD2 LEU 57 -0.025 -4.391 -12.070 459 HD23 LEU 57 2HD2 LEU 57 -0.101 -5.759 -13.183 460 H ILE 58 H ILE 58 5.471 -4.865 -10.193 461 HA ILE 58 HA ILE 58 5.441 -2.696 -8.289 462 HB ILE 58 HB ILE 58 7.566 -4.854 -8.753 463 HG12 ILE 58 2HG1 ILE 58 5.219 -4.840 -6.796 464 HG13 ILE 58 3HG1 ILE 58 5.339 -5.837 -8.240 465 HG21 ILE 58 1HG2 ILE 58 8.261 -4.389 -6.414 466 HG22 ILE 58 2HG2 ILE 58 7.095 -3.066 -6.342 467 HG23 ILE 58 3HG2 ILE 58 8.458 -2.978 -7.456 468 HD11 ILE 58 3HD1 ILE 58 5.813 -7.109 -6.247 469 HD12 ILE 58 1HD1 ILE 58 7.122 -6.010 -5.818 470 HD13 ILE 58 2HD1 ILE 58 7.246 -7.012 -7.269 471 H ASN 59 H ASN 59 7.298 -3.564 -11.203 472 HA ASN 59 HA ASN 59 9.224 -1.528 -11.207 473 HB2 ASN 59 2HB ASN 59 7.822 -2.848 -13.565 474 HB3 ASN 59 3HB ASN 59 9.216 -1.793 -13.737 475 HD21 ASN 59 1HD2 ASN 59 10.614 -2.868 -11.376 476 HD22 ASN 59 2HD2 ASN 59 11.146 -4.447 -11.819 477 H HIS 60 H HIS 60 5.844 -1.470 -12.223 478 HA HIS 60 HA HIS 60 5.852 1.188 -13.323 479 HB2 HIS 60 2HB HIS 60 3.519 -0.537 -12.371 480 HB3 HIS 60 3HB HIS 60 3.381 0.920 -13.355 481 HD1 HIS 60 HD1 HIS 60 2.711 -2.255 -13.987 482 HD2 HIS 60 HD2 HIS 60 5.643 0.173 -15.645 483 HE1 HIS 60 HE1 HIS 60 3.227 -3.261 -16.220 484 HE2 HIS 60 HE2 HIS 60 4.798 -1.624 -17.297 485 H SER 61 H SER 61 5.071 -0.236 -10.192 486 HA SER 61 HA SER 61 4.345 2.398 -9.063 487 HB2 SER 61 2HB SER 61 2.636 0.667 -8.799 488 HB3 SER 61 3HB SER 61 3.797 -0.422 -8.052 489 HG SER 61 HG SER 61 2.263 1.115 -6.767 490 H LYS 62 H LYS 62 6.347 3.285 -8.566 491 HA LYS 62 HA LYS 62 8.486 2.022 -7.251 492 HB2 LYS 62 2HB LYS 62 8.726 4.212 -8.358 493 HB3 LYS 62 3HB LYS 62 7.659 4.957 -7.169 494 HG2 LYS 62 2HG LYS 62 9.293 4.527 -5.388 495 HG3 LYS 62 3HG LYS 62 10.342 3.672 -6.519 496 HD2 LYS 62 2HD LYS 62 9.610 6.618 -6.684 497 HD3 LYS 62 3HD LYS 62 11.125 5.979 -6.049 498 HE2 LYS 62 2HE LYS 62 11.544 4.949 -8.313 499 HE3 LYS 62 3HE LYS 62 10.115 5.799 -8.902 500 HZ1 LYS 62 3HZ LYS 62 11.173 7.894 -8.307 501 HZ2 LYS 62 1HZ LYS 62 12.133 7.022 -9.393 502 HZ3 LYS 62 2HZ LYS 62 12.540 7.070 -7.751 503 H LEU 63 H LEU 63 5.534 3.493 -6.071 504 HA LEU 63 HA LEU 63 5.949 3.535 -3.308 505 HB2 LEU 63 2HB LEU 63 4.020 4.558 -4.523 506 HB3 LEU 63 3HB LEU 63 3.379 2.955 -4.836 507 HG LEU 63 HG LEU 63 2.992 2.622 -2.405 508 HD11 LEU 63 1HD1 LEU 63 4.015 5.454 -2.052 509 HD12 LEU 63 2HD1 LEU 63 4.811 3.977 -1.499 510 HD13 LEU 63 3HD1 LEU 63 3.264 4.453 -0.804 511 HD21 LEU 63 3HD2 LEU 63 1.149 4.227 -2.121 512 HD22 LEU 63 1HD2 LEU 63 1.182 3.570 -3.758 513 HD23 LEU 63 2HD2 LEU 63 1.778 5.203 -3.451 514 H ALA 64 H ALA 64 4.870 0.891 -5.447 515 HA ALA 64 HA ALA 64 4.441 -1.092 -3.464 516 HB1 ALA 64 3HB ALA 64 3.554 -1.289 -5.741 517 HB2 ALA 64 1HB ALA 64 4.514 -2.702 -5.308 518 HB3 ALA 64 2HB ALA 64 5.190 -1.467 -6.378 519 H GLN 65 H GLN 65 7.294 -0.196 -5.400 520 HA GLN 65 HA GLN 65 9.055 -2.257 -4.709 521 HB2 GLN 65 2HB GLN 65 9.772 0.681 -5.205 522 HB3 GLN 65 3HB GLN 65 10.901 -0.673 -5.269 523 HG2 GLN 65 2HG GLN 65 9.655 -1.629 -7.166 524 HG3 GLN 65 3HG GLN 65 8.520 -0.282 -7.106 525 HE21 GLN 65 1HE2 GLN 65 10.171 -1.133 -9.319 526 HE22 GLN 65 2HE2 GLN 65 11.167 0.218 -9.728 527 H GLN 66 H GLN 66 8.487 0.866 -3.129 528 HA GLN 66 HA GLN 66 10.272 0.634 -1.002 529 HB2 GLN 66 2HB GLN 66 7.675 2.206 -1.226 530 HB3 GLN 66 3HB GLN 66 8.890 2.459 0.021 531 HG2 GLN 66 2HG GLN 66 9.310 2.858 -2.956 532 HG3 GLN 66 3HG GLN 66 9.061 4.135 -1.766 533 HE21 GLN 66 1HE2 GLN 66 11.300 1.745 -2.972 534 HE22 GLN 66 2HE2 GLN 66 12.701 2.356 -2.168 535 H ILE 67 H ILE 67 6.737 -0.155 -1.078 536 HA ILE 67 HA ILE 67 6.527 -0.716 1.696 537 HB ILE 67 HB ILE 67 4.697 -1.518 -0.622 538 HG12 ILE 67 2HG1 ILE 67 4.435 0.737 1.433 539 HG13 ILE 67 3HG1 ILE 67 4.959 0.947 -0.231 540 HG21 ILE 67 1HG2 ILE 67 4.112 -1.696 2.361 541 HG22 ILE 67 2HG2 ILE 67 4.292 -3.059 1.254 542 HG23 ILE 67 3HG2 ILE 67 2.932 -1.949 1.075 543 HD11 ILE 67 3HD1 ILE 67 2.224 0.038 0.660 544 HD12 ILE 67 1HD1 ILE 67 2.757 0.230 -1.013 545 HD13 ILE 67 2HD1 ILE 67 2.668 1.632 0.050 546 H PHE 68 H PHE 68 6.905 -2.894 -1.141 547 HA PHE 68 HA PHE 68 6.890 -5.320 0.353 548 HB2 PHE 68 2HB PHE 68 7.906 -4.748 -2.464 549 HB3 PHE 68 3HB PHE 68 7.817 -6.365 -1.769 550 HD1 PHE 68 HD1 PHE 68 5.252 -6.488 -0.420 551 HD2 PHE 68 HD2 PHE 68 6.228 -4.574 -4.124 552 HE1 PHE 68 HE1 PHE 68 2.923 -6.735 -1.178 553 HE2 PHE 68 HE2 PHE 68 3.894 -4.824 -4.860 554 HZ PHE 68 HZ PHE 68 2.245 -5.904 -3.391 555 H LEU 69 H LEU 69 9.524 -3.128 -0.620 556 HA LEU 69 HA LEU 69 11.680 -4.848 0.133 557 HB2 LEU 69 2HB LEU 69 11.988 -2.955 -1.408 558 HB3 LEU 69 3HB LEU 69 11.554 -1.821 -0.144 559 HG LEU 69 HG LEU 69 13.641 -2.389 1.097 560 HD11 LEU 69 1HD1 LEU 69 13.929 -4.710 0.406 561 HD12 LEU 69 2HD1 LEU 69 15.388 -3.782 0.074 562 HD13 LEU 69 3HD1 LEU 69 14.292 -4.203 -1.243 563 HD21 LEU 69 3HD2 LEU 69 15.245 -1.324 -0.432 564 HD22 LEU 69 1HD2 LEU 69 13.678 -0.516 -0.488 565 HD23 LEU 69 2HD2 LEU 69 14.157 -1.604 -1.793 566 H GLN 70 H GLN 70 9.880 -2.300 1.831 567 HA GLN 70 HA GLN 70 11.504 -2.349 4.208 568 HB2 GLN 70 2HB GLN 70 8.805 -1.057 3.627 569 HB3 GLN 70 3HB GLN 70 9.649 -0.886 5.165 570 HG2 GLN 70 2HG GLN 70 11.569 0.170 3.958 571 HG3 GLN 70 3HG GLN 70 10.647 0.058 2.456 572 HE21 GLN 70 1HE2 GLN 70 10.718 2.317 2.209 573 HE22 GLN 70 2HE2 GLN 70 9.754 3.373 3.179 574 H CYS 71 H CYS 71 8.634 -4.080 3.125 575 HA CYS 71 HA CYS 71 8.770 -5.759 5.515 576 HB2 CYS 71 2HB CYS 71 7.055 -4.080 6.081 577 HB3 CYS 71 3HB CYS 71 6.197 -4.426 4.580 578 HG CYS 71 HG CYS 71 6.478 -6.424 7.347 579 HA PRO 72 HA PRO 72 8.072 -8.528 1.891 580 HB2 PRO 72 2HB PRO 72 9.534 -10.632 2.783 581 HB3 PRO 72 3HB PRO 72 10.309 -9.182 2.107 582 HG2 PRO 72 2HG PRO 72 9.944 -9.941 4.988 583 HG3 PRO 72 3HG PRO 72 11.376 -9.271 4.174 584 HD2 PRO 72 2HD PRO 72 9.602 -7.736 5.634 585 HD3 PRO 72 3HD PRO 72 10.597 -7.097 4.306 586 H GLY 73 H GLY 73 6.838 -8.379 4.956 587 HA2 GLY 73 2HA GLY 73 5.407 -10.883 5.069 588 HA3 GLY 73 3HA GLY 73 5.114 -9.448 6.042 589 H VAL 74 H VAL 74 4.938 -7.767 3.541 590 HA VAL 74 HA VAL 74 2.102 -7.889 3.205 591 HB VAL 74 HB VAL 74 4.123 -6.292 1.557 592 HG11 VAL 74 1HG1 VAL 74 1.898 -6.401 0.497 593 HG12 VAL 74 2HG1 VAL 74 2.239 -4.771 1.077 594 HG13 VAL 74 3HG1 VAL 74 1.147 -5.819 1.987 595 HG21 VAL 74 3HG2 VAL 74 2.656 -5.446 4.083 596 HG22 VAL 74 1HG2 VAL 74 3.698 -4.414 3.097 597 HG23 VAL 74 2HG2 VAL 74 4.382 -5.795 3.958 598 H GLU 75 H GLU 75 0.979 -9.122 1.825 599 HA GLU 75 HA GLU 75 2.200 -10.969 -0.017 600 HB2 GLU 75 2HB GLU 75 -0.731 -10.292 0.534 601 HB3 GLU 75 3HB GLU 75 -0.188 -11.644 -0.455 602 HG2 GLU 75 2HG GLU 75 0.417 -11.302 2.492 603 HG3 GLU 75 3HG GLU 75 -0.889 -12.291 1.837 604 H SER 76 H SER 76 0.101 -8.145 -0.248 605 HA SER 76 HA SER 76 0.900 -7.454 -2.898 606 HB2 SER 76 2HB SER 76 -1.373 -7.778 -3.948 607 HB3 SER 76 3HB SER 76 -0.592 -9.300 -3.521 608 HG SER 76 HG SER 76 -1.912 -9.453 -1.726 609 H LEU 77 H LEU 77 -0.300 -5.554 -3.679 610 HA LEU 77 HA LEU 77 -1.568 -3.951 -1.528 611 HB2 LEU 77 2HB LEU 77 -0.293 -2.950 -4.118 612 HB3 LEU 77 3HB LEU 77 -0.869 -1.967 -2.778 613 HG LEU 77 HG LEU 77 1.526 -3.841 -2.704 614 HD11 LEU 77 1HD1 LEU 77 2.888 -1.819 -2.526 615 HD12 LEU 77 2HD1 LEU 77 1.444 -0.818 -2.725 616 HD13 LEU 77 3HD1 LEU 77 1.982 -1.871 -4.039 617 HD21 LEU 77 3HD2 LEU 77 0.472 -3.761 -0.510 618 HD22 LEU 77 1HD2 LEU 77 0.499 -1.995 -0.533 619 HD23 LEU 77 2HD2 LEU 77 2.010 -2.905 -0.489 620 H MET 78 H MET 78 -3.309 -2.476 -2.425 621 HA MET 78 HA MET 78 -4.465 -3.270 -5.012 622 HB2 MET 78 2HB MET 78 -5.776 -4.567 -3.366 623 HB3 MET 78 3HB MET 78 -6.077 -3.123 -2.408 624 HG2 MET 78 2HG MET 78 -7.383 -2.158 -4.270 625 HG3 MET 78 3HG MET 78 -7.072 -3.598 -5.241 626 HE1 MET 78 3HE MET 78 -7.420 -6.004 -3.240 627 HE2 MET 78 1HE MET 78 -8.225 -5.951 -4.811 628 HE3 MET 78 2HE MET 78 -9.150 -6.326 -3.358 629 H ILE 79 H ILE 79 -4.514 -1.440 -6.113 630 HA ILE 79 HA ILE 79 -4.471 1.154 -4.817 631 HB ILE 79 HB ILE 79 -4.444 0.461 -7.794 632 HG12 ILE 79 2HG1 ILE 79 -2.440 -0.489 -6.694 633 HG13 ILE 79 3HG1 ILE 79 -1.995 0.843 -7.746 634 HG21 ILE 79 1HG2 ILE 79 -3.838 3.095 -6.380 635 HG22 ILE 79 2HG2 ILE 79 -5.217 2.743 -7.432 636 HG23 ILE 79 3HG2 ILE 79 -3.587 2.780 -8.102 637 HD11 ILE 79 3HD1 ILE 79 -0.720 0.852 -5.697 638 HD12 ILE 79 1HD1 ILE 79 -2.199 0.950 -4.747 639 HD13 ILE 79 2HD1 ILE 79 -1.733 2.290 -5.796 640 H GLY 80 H GLY 80 -6.458 1.627 -4.042 641 HA2 GLY 80 2HA GLY 80 -8.868 1.417 -5.696 642 HA3 GLY 80 3HA GLY 80 -8.744 2.095 -4.068 643 H ASP 81 H ASP 81 -10.136 3.533 -5.770 644 HA ASP 81 HA ASP 81 -8.818 5.304 -7.503 645 HB2 ASP 81 2HB ASP 81 -11.458 5.705 -6.009 646 HB3 ASP 81 3HB ASP 81 -10.910 6.673 -7.372 647 H ASP 82 H ASP 82 -9.927 5.815 -4.164 648 HA ASP 82 HA ASP 82 -8.047 8.092 -3.836 649 HB2 ASP 82 2HB ASP 82 -10.437 8.767 -4.068 650 HB3 ASP 82 3HB ASP 82 -10.860 7.746 -2.704 651 H PHE 83 H PHE 83 -8.296 4.988 -2.969 652 HA PHE 83 HA PHE 83 -7.178 5.368 -0.269 653 HB2 PHE 83 2HB PHE 83 -8.601 3.563 0.680 654 HB3 PHE 83 3HB PHE 83 -9.561 4.937 0.157 655 HD1 PHE 83 HD2 PHE 83 -10.733 4.769 -2.161 656 HD2 PHE 83 HD1 PHE 83 -9.144 1.373 -0.099 657 HE1 PHE 83 HE2 PHE 83 -12.145 3.278 -3.517 658 HE2 PHE 83 HE1 PHE 83 -10.563 -0.101 -1.455 659 HZ PHE 83 HZ PHE 83 -12.058 0.842 -3.166 660 H LEU 84 H LEU 84 -5.494 4.032 0.133 661 HA LEU 84 HA LEU 84 -4.830 1.926 -1.844 662 HB2 LEU 84 2HB LEU 84 -3.060 3.571 -1.644 663 HB3 LEU 84 3HB LEU 84 -3.046 3.441 0.109 664 HG LEU 84 HG LEU 84 -2.133 1.147 -0.029 665 HD11 LEU 84 1HD1 LEU 84 -1.403 0.154 -2.157 666 HD12 LEU 84 2HD1 LEU 84 -2.188 1.470 -3.034 667 HD13 LEU 84 3HD1 LEU 84 -3.154 0.349 -2.075 668 HD21 LEU 84 3HD2 LEU 84 -0.547 3.098 -1.709 669 HD22 LEU 84 1HD2 LEU 84 0.095 1.662 -0.904 670 HD23 LEU 84 2HD2 LEU 84 -0.554 2.990 0.053 671 H THR 85 H THR 85 -5.289 -0.051 -1.236 672 HA THR 85 HA THR 85 -5.688 -0.713 1.599 673 HB THR 85 HB THR 85 -6.515 -2.316 -0.865 674 HG1 THR 85 HG1 THR 85 -7.457 0.007 -0.136 675 HG21 THR 85 3HG2 THR 85 -7.424 -2.444 2.038 676 HG22 THR 85 1HG2 THR 85 -6.456 -3.664 1.201 677 HG23 THR 85 2HG2 THR 85 -8.125 -3.368 0.713 678 H ILE 86 H ILE 86 -3.958 -1.578 2.538 679 HA ILE 86 HA ILE 86 -1.875 -3.006 1.062 680 HB ILE 86 HB ILE 86 -2.037 -2.369 4.053 681 HG12 ILE 86 2HG1 ILE 86 -2.145 -0.281 2.703 682 HG13 ILE 86 3HG1 ILE 86 -0.651 -0.386 3.612 683 HG21 ILE 86 1HG2 ILE 86 0.425 -2.661 4.027 684 HG22 ILE 86 2HG2 ILE 86 0.353 -3.126 2.326 685 HG23 ILE 86 3HG2 ILE 86 -0.416 -4.139 3.553 686 HD11 ILE 86 3HD1 ILE 86 -0.262 0.513 1.418 687 HD12 ILE 86 1HD1 ILE 86 -0.980 -0.908 0.664 688 HD13 ILE 86 2HD1 ILE 86 0.533 -1.053 1.564 689 H ASN 87 H ASN 87 -1.764 -5.183 1.025 690 HA ASN 87 HA ASN 87 -3.531 -6.792 2.786 691 HB2 ASN 87 2HB ASN 87 -2.633 -7.577 -0.022 692 HB3 ASN 87 3HB ASN 87 -3.866 -8.352 0.970 693 HD21 ASN 87 1HD2 ASN 87 -3.139 -5.637 -1.081 694 HD22 ASN 87 2HD2 ASN 87 -4.758 -5.077 -1.278 695 H LYS 88 H LYS 88 -2.309 -7.845 4.246 696 HA LYS 88 HA LYS 88 0.456 -8.677 3.517 697 HB2 LYS 88 2HB LYS 88 1.115 -8.258 5.919 698 HB3 LYS 88 3HB LYS 88 0.699 -6.810 5.019 699 HG2 LYS 88 2HG LYS 88 -0.228 -6.504 7.178 700 HG3 LYS 88 3HG LYS 88 -1.592 -6.905 6.136 701 HD2 LYS 88 2HD LYS 88 -1.556 -9.224 6.974 702 HD3 LYS 88 3HD LYS 88 -0.161 -8.850 7.985 703 HE2 LYS 88 2HE LYS 88 -2.894 -7.579 8.252 704 HE3 LYS 88 3HE LYS 88 -2.300 -8.912 9.238 705 HZ1 LYS 88 3HZ LYS 88 -2.060 -6.799 10.366 706 HZ2 LYS 88 1HZ LYS 88 -1.093 -6.199 9.112 707 HZ3 LYS 88 2HZ LYS 88 -0.543 -7.478 10.064 708 H ASP 89 H ASP 89 1.323 -10.366 5.110 709 HA ASP 89 HA ASP 89 -0.365 -12.688 5.196 710 HB2 ASP 89 2HB ASP 89 2.116 -12.790 4.840 711 HB3 ASP 89 3HB ASP 89 2.372 -12.216 6.483 712 H ARG 90 H ARG 90 -1.531 -13.451 6.959 713 HA ARG 90 HA ARG 90 -2.528 -11.610 8.805 714 HB2 ARG 90 2HB ARG 90 -3.672 -13.575 9.891 715 HB3 ARG 90 3HB ARG 90 -3.903 -13.464 8.151 716 HG2 ARG 90 2HG ARG 90 -2.394 -15.274 7.730 717 HG3 ARG 90 3HG ARG 90 -1.817 -15.273 9.401 718 HD2 ARG 90 2HD ARG 90 -3.360 -17.141 8.943 719 HD3 ARG 90 3HD ARG 90 -3.976 -16.061 10.192 720 HE ARG 90 HE ARG 90 -5.151 -15.148 7.890 721 HH11 ARG 90 1HH1 ARG 90 -5.049 -18.294 9.494 722 HH12 ARG 90 2HH1 ARG 90 -6.614 -18.762 8.913 723 HH21 ARG 90 1HH2 ARG 90 -7.241 -15.775 7.211 724 HH22 ARG 90 2HH2 ARG 90 -7.852 -17.342 7.626 725 H MET 91 H MET 91 0.167 -13.839 9.213 726 HA MET 91 HA MET 91 0.211 -13.750 12.105 727 HB2 MET 91 2HB MET 91 2.326 -14.721 10.139 728 HB3 MET 91 3HB MET 91 2.336 -15.011 11.877 729 HG2 MET 91 2HG MET 91 0.265 -16.338 11.677 730 HG3 MET 91 3HG MET 91 0.237 -16.029 9.939 731 HE1 MET 91 3HE MET 91 3.374 -18.673 12.085 732 HE2 MET 91 1HE MET 91 1.981 -17.955 12.892 733 HE3 MET 91 2HE MET 91 3.312 -16.931 12.347 734 H VAL 92 H VAL 92 1.173 -11.547 9.760 735 HA VAL 92 HA VAL 92 3.276 -10.243 11.369 736 HB VAL 92 HB VAL 92 2.177 -9.452 8.606 737 HG11 VAL 92 1HG1 VAL 92 4.242 -8.124 8.390 738 HG12 VAL 92 2HG1 VAL 92 4.738 -8.602 10.014 739 HG13 VAL 92 3HG1 VAL 92 3.301 -7.600 9.791 740 HG21 VAL 92 3HG2 VAL 92 4.182 -10.534 7.634 741 HG22 VAL 92 1HG2 VAL 92 3.165 -11.702 8.482 742 HG23 VAL 92 2HG2 VAL 92 4.650 -11.114 9.234 743 H HIS 93 H HIS 93 2.879 -8.228 12.376 744 HA HIS 93 HA HIS 93 0.109 -7.611 13.012 745 HB2 HIS 93 2HB HIS 93 2.698 -6.267 13.931 746 HB3 HIS 93 3HB HIS 93 1.098 -5.946 14.593 747 HD1 HIS 93 HD1 HIS 93 0.403 -7.354 16.546 748 HD2 HIS 93 HD2 HIS 93 3.636 -8.996 14.517 749 HE1 HIS 93 HE1 HIS 93 1.228 -9.234 17.990 750 HE2 HIS 93 HE2 HIS 93 3.079 -10.296 16.669 751 H TRP 94 H TRP 94 -0.775 -5.399 12.914 752 HA TRP 94 HA TRP 94 -0.223 -4.054 10.400 753 HB2 TRP 94 2HB TRP 94 -2.352 -3.708 12.532 754 HB3 TRP 94 3HB TRP 94 -2.097 -2.416 11.365 755 HD1 TRP 94 HD1 TRP 94 -4.347 -5.175 11.788 756 HE1 TRP 94 HE1 TRP 94 -5.287 -6.026 9.542 757 HE3 TRP 94 HE3 TRP 94 -0.981 -2.966 8.599 758 HZ2 TRP 94 HZ2 TRP 94 -4.681 -5.774 6.810 759 HZ3 TRP 94 HZ3 TRP 94 -1.231 -3.332 6.177 760 HH2 TRP 94 HH2 TRP 94 -3.048 -4.714 5.308 761 H ASN 95 H ASN 95 -0.027 -3.126 13.860 762 HA ASN 95 HA ASN 95 0.608 -0.418 13.455 763 HB2 ASN 95 2HB ASN 95 -0.297 -1.461 15.581 764 HB3 ASN 95 3HB ASN 95 1.317 -2.078 15.919 765 HD21 ASN 95 1HD2 ASN 95 2.874 -0.653 16.724 766 HD22 ASN 95 2HD2 ASN 95 2.526 0.981 17.170 767 H SER 96 H SER 96 2.614 -3.168 13.162 768 HA SER 96 HA SER 96 5.176 -1.970 13.605 769 HB2 SER 96 2HB SER 96 4.484 -4.403 11.903 770 HB3 SER 96 3HB SER 96 6.056 -4.020 12.612 771 HG SER 96 HG SER 96 5.096 -5.483 13.946 772 H ILE 97 H ILE 97 3.222 -2.681 10.720 773 HA ILE 97 HA ILE 97 5.178 -1.594 8.860 774 HB ILE 97 HB ILE 97 2.368 -2.496 8.066 775 HG12 ILE 97 2HG1 ILE 97 4.729 -4.403 8.430 776 HG13 ILE 97 3HG1 ILE 97 3.361 -4.297 9.531 777 HG21 ILE 97 1HG2 ILE 97 3.467 -3.129 5.946 778 HG22 ILE 97 2HG2 ILE 97 5.030 -2.627 6.593 779 HG23 ILE 97 3HG2 ILE 97 3.761 -1.430 6.328 780 HD11 ILE 97 3HD1 ILE 97 1.856 -5.015 7.745 781 HD12 ILE 97 1HD1 ILE 97 3.143 -6.185 8.022 782 HD13 ILE 97 2HD1 ILE 97 3.218 -5.113 6.625 783 H LYS 98 H LYS 98 2.208 -0.585 10.405 784 HA LYS 98 HA LYS 98 0.985 0.970 8.480 785 HB2 LYS 98 2HB LYS 98 -0.138 0.185 10.552 786 HB3 LYS 98 3HB LYS 98 0.766 1.365 11.498 787 HG2 LYS 98 2HG LYS 98 -0.325 3.209 10.288 788 HG3 LYS 98 3HG LYS 98 -1.164 2.052 9.259 789 HD2 LYS 98 2HD LYS 98 -2.774 2.766 10.839 790 HD3 LYS 98 3HD LYS 98 -2.293 1.159 11.375 791 HE2 LYS 98 2HE LYS 98 -1.157 3.725 12.542 792 HE3 LYS 98 3HE LYS 98 -2.571 2.902 13.191 793 HZ1 LYS 98 3HZ LYS 98 0.200 1.861 13.085 794 HZ2 LYS 98 1HZ LYS 98 -1.140 0.924 13.504 795 HZ3 LYS 98 2HZ LYS 98 -0.712 2.251 14.452 796 HA PRO 99 HA PRO 99 3.135 5.078 10.257 797 HB2 PRO 99 2HB PRO 99 5.720 4.651 11.250 798 HB3 PRO 99 3HB PRO 99 4.273 4.829 12.264 799 HG2 PRO 99 2HG PRO 99 5.625 2.306 11.354 800 HG3 PRO 99 3HG PRO 99 5.001 2.723 12.966 801 HD2 PRO 99 2HD PRO 99 3.602 1.131 11.346 802 HD3 PRO 99 3HD PRO 99 2.770 2.350 12.342 803 H GLU 100 H GLU 100 5.073 2.389 9.010 804 HA GLU 100 HA GLU 100 6.825 3.893 7.373 805 HB2 GLU 100 2HB GLU 100 6.060 0.983 6.910 806 HB3 GLU 100 3HB GLU 100 7.574 1.780 6.498 807 HG2 GLU 100 2HG GLU 100 6.576 1.015 9.251 808 HG3 GLU 100 3HG GLU 100 7.967 0.361 8.396 809 H ILE 101 H ILE 101 3.709 2.329 6.806 810 HA ILE 101 HA ILE 101 3.518 2.693 3.997 811 HB ILE 101 HB ILE 101 1.272 2.477 6.067 812 HG12 ILE 101 2HG1 ILE 101 2.409 0.230 4.336 813 HG13 ILE 101 3HG1 ILE 101 2.934 0.528 5.987 814 HG21 ILE 101 1HG2 ILE 101 -0.163 1.734 4.178 815 HG22 ILE 101 2HG2 ILE 101 1.157 2.061 3.056 816 HG23 ILE 101 3HG2 ILE 101 0.417 3.388 3.952 817 HD11 ILE 101 3HD1 ILE 101 0.120 -0.181 5.165 818 HD12 ILE 101 1HD1 ILE 101 0.703 0.062 6.811 819 HD13 ILE 101 2HD1 ILE 101 1.312 -1.283 5.848 820 H ILE 102 H ILE 102 2.159 4.556 6.746 821 HA ILE 102 HA ILE 102 0.819 6.580 5.369 822 HB ILE 102 HB ILE 102 2.150 6.719 8.121 823 HG12 ILE 102 2HG1 ILE 102 -0.768 6.158 7.383 824 HG13 ILE 102 3HG1 ILE 102 0.403 4.928 7.843 825 HG21 ILE 102 1HG2 ILE 102 0.047 8.595 6.968 826 HG22 ILE 102 2HG2 ILE 102 1.730 9.007 7.300 827 HG23 ILE 102 3HG2 ILE 102 0.639 8.616 8.630 828 HD11 ILE 102 3HD1 ILE 102 -1.047 5.450 9.692 829 HD12 ILE 102 1HD1 ILE 102 -0.612 7.158 9.605 830 HD13 ILE 102 2HD1 ILE 102 0.600 5.957 10.063 831 H ASP 103 H ASP 103 4.202 6.394 6.384 832 HA ASP 103 HA ASP 103 5.071 8.997 5.716 833 HB2 ASP 103 2HB ASP 103 6.370 7.448 7.176 834 HB3 ASP 103 3HB ASP 103 6.691 6.404 5.797 835 H LEU 104 H LEU 104 5.191 5.946 3.859 836 HA LEU 104 HA LEU 104 6.453 6.963 1.542 837 HB2 LEU 104 2HB LEU 104 4.739 4.496 2.000 838 HB3 LEU 104 3HB LEU 104 5.595 4.800 0.495 839 HG LEU 104 HG LEU 104 6.952 4.513 3.206 840 HD11 LEU 104 1HD1 LEU 104 5.940 2.389 2.567 841 HD12 LEU 104 2HD1 LEU 104 7.695 2.301 2.447 842 HD13 LEU 104 3HD1 LEU 104 6.721 2.462 0.983 843 HD21 LEU 104 3HD2 LEU 104 9.031 4.351 1.887 844 HD22 LEU 104 1HD2 LEU 104 8.235 5.907 1.682 845 HD23 LEU 104 2HD2 LEU 104 8.126 4.684 0.414 846 H LEU 105 H LEU 105 3.039 6.689 2.414 847 HA LEU 105 HA LEU 105 1.976 7.490 -0.116 848 HB2 LEU 105 2HB LEU 105 0.822 7.212 2.660 849 HB3 LEU 105 3HB LEU 105 -0.108 8.060 1.437 850 HG LEU 105 HG LEU 105 -0.163 6.054 0.014 851 HD11 LEU 105 1HD1 LEU 105 1.984 5.044 0.548 852 HD12 LEU 105 2HD1 LEU 105 0.682 3.882 0.771 853 HD13 LEU 105 3HD1 LEU 105 1.422 4.650 2.172 854 HD21 LEU 105 3HD2 LEU 105 -1.602 4.645 1.406 855 HD22 LEU 105 1HD2 LEU 105 -1.938 6.356 1.662 856 HD23 LEU 105 2HD2 LEU 105 -1.005 5.452 2.858 857 H THR 106 H THR 106 3.216 9.272 2.645 858 HA THR 106 HA THR 106 2.235 11.853 1.847 859 HB THR 106 HB THR 106 4.518 11.047 3.720 860 HG1 THR 106 HG1 THR 106 2.234 10.534 4.263 861 HG21 THR 106 3HG2 THR 106 4.429 13.338 4.634 862 HG22 THR 106 1HG2 THR 106 3.228 13.789 3.419 863 HG23 THR 106 2HG2 THR 106 4.871 13.378 2.926 864 H LYS 107 H LYS 107 5.072 9.841 1.131 865 HA LYS 107 HA LYS 107 6.633 11.792 -0.233 866 HB2 LYS 107 2HB LYS 107 6.650 8.754 -0.475 867 HB3 LYS 107 3HB LYS 107 7.881 9.808 -1.147 868 HG2 LYS 107 2HG LYS 107 7.320 9.753 1.826 869 HG3 LYS 107 3HG LYS 107 8.367 8.560 1.066 870 HD2 LYS 107 2HD LYS 107 9.774 10.265 1.984 871 HD3 LYS 107 3HD LYS 107 9.816 10.450 0.234 872 HE2 LYS 107 2HE LYS 107 8.296 12.366 0.385 873 HE3 LYS 107 3HE LYS 107 8.146 12.140 2.127 874 HZ1 LYS 107 3HZ LYS 107 10.675 12.801 0.708 875 HZ2 LYS 107 1HZ LYS 107 10.474 12.648 2.382 876 HZ3 LYS 107 2HZ LYS 107 9.708 13.903 1.554 877 H GLN 108 H GLN 108 4.318 9.312 -1.351 878 HA GLN 108 HA GLN 108 4.586 9.641 -4.140 879 HB2 GLN 108 2HB GLN 108 3.463 7.732 -2.823 880 HB3 GLN 108 3HB GLN 108 2.057 8.768 -2.652 881 HG2 GLN 108 2HG GLN 108 3.146 8.077 -5.384 882 HG3 GLN 108 3HG GLN 108 2.125 6.942 -4.520 883 HE21 GLN 108 1HE2 GLN 108 0.572 7.016 -6.096 884 HE22 GLN 108 2HE2 GLN 108 -0.465 8.361 -6.374 885 H LEU 109 H LEU 109 2.220 10.953 -1.845 886 HA LEU 109 HA LEU 109 0.820 12.536 -3.783 887 HB2 LEU 109 2HB LEU 109 0.629 12.460 -0.754 888 HB3 LEU 109 3HB LEU 109 -0.480 13.340 -1.795 889 HG LEU 109 HG LEU 109 -0.121 10.310 -1.759 890 HD11 LEU 109 1HD1 LEU 109 -2.436 11.986 -0.743 891 HD12 LEU 109 2HD1 LEU 109 -1.250 11.136 0.250 892 HD13 LEU 109 3HD1 LEU 109 -2.353 10.221 -0.773 893 HD21 LEU 109 3HD2 LEU 109 -2.045 10.213 -3.274 894 HD22 LEU 109 1HD2 LEU 109 -0.707 11.092 -4.009 895 HD23 LEU 109 2HD2 LEU 109 -2.092 11.975 -3.363 896 H ALA 110 H ALA 110 3.629 13.137 -1.852 897 HA ALA 110 HA ALA 110 3.623 15.960 -1.702 898 HB1 ALA 110 3HB ALA 110 6.077 15.791 -1.524 899 HB2 ALA 110 1HB ALA 110 6.012 14.112 -2.080 900 HB3 ALA 110 2HB ALA 110 5.288 14.562 -0.537 901 H TYR 111 H TYR 111 4.533 13.741 -4.290 902 HA TYR 111 HA TYR 111 5.001 15.875 -6.228 903 HB2 TYR 111 2HB TYR 111 4.823 12.845 -6.586 904 HB3 TYR 111 3HB TYR 111 5.320 13.984 -7.833 905 HD1 TYR 111 HD2 TYR 111 7.536 15.170 -7.632 906 HD2 TYR 111 HD1 TYR 111 6.372 12.132 -4.855 907 HE1 TYR 111 HE2 TYR 111 9.867 14.964 -6.874 908 HE2 TYR 111 HE1 TYR 111 8.703 11.927 -4.100 909 HH TYR 111 HH TYR 111 10.980 12.404 -4.961 910 H GLY 112 H GLY 112 2.502 13.607 -5.260 911 HA2 GLY 112 2HA GLY 112 0.228 13.567 -5.656 912 HA3 GLY 112 3HA GLY 112 0.393 14.961 -6.721 913 H GLU 113 H GLU 113 1.665 11.646 -6.621 914 HA GLU 113 HA GLU 113 1.749 11.486 -9.513 915 HB2 GLU 113 2HB GLU 113 2.582 9.597 -7.278 916 HB3 GLU 113 3HB GLU 113 2.741 9.178 -8.980 917 HG2 GLU 113 2HG GLU 113 4.075 11.536 -7.630 918 HG3 GLU 113 3HG GLU 113 4.847 9.993 -7.997 919 H ASP 114 H ASP 114 0.655 10.020 -10.802 920 HA ASP 114 HA ASP 114 -1.521 8.375 -9.730 921 HB2 ASP 114 2HB ASP 114 -0.381 8.741 -12.545 922 HB3 ASP 114 3HB ASP 114 -1.673 7.605 -12.167 923 H VAL 115 H VAL 115 -0.701 6.790 -8.536 924 HA VAL 115 HA VAL 115 1.840 5.955 -8.221 925 HB VAL 115 HB VAL 115 0.181 5.483 -6.567 926 HG11 VAL 115 1HG1 VAL 115 -1.742 5.125 -8.010 927 HG12 VAL 115 2HG1 VAL 115 -1.610 3.846 -6.802 928 HG13 VAL 115 3HG1 VAL 115 -1.125 3.539 -8.473 929 HG21 VAL 115 3HG2 VAL 115 1.249 2.803 -7.518 930 HG22 VAL 115 1HG2 VAL 115 0.652 3.169 -5.895 931 HG23 VAL 115 2HG2 VAL 115 2.112 3.954 -6.498 932 H ILE 116 H ILE 116 -0.457 4.359 -10.419 933 HA ILE 116 HA ILE 116 1.551 2.363 -11.232 934 HB ILE 116 HB ILE 116 -1.409 2.590 -11.985 935 HG12 ILE 116 2HG1 ILE 116 -1.134 2.119 -9.569 936 HG13 ILE 116 3HG1 ILE 116 -1.824 0.739 -10.407 937 HG21 ILE 116 1HG2 ILE 116 -0.152 1.383 -13.694 938 HG22 ILE 116 2HG2 ILE 116 -1.198 0.275 -12.809 939 HG23 ILE 116 3HG2 ILE 116 0.534 0.308 -12.472 940 HD11 ILE 116 3HD1 ILE 116 -0.234 0.034 -8.757 941 HD12 ILE 116 1HD1 ILE 116 1.023 1.029 -9.482 942 HD13 ILE 116 2HD1 ILE 116 0.379 -0.359 -10.362 943 H SER 117 H SER 117 -0.938 4.242 -12.971 944 HA SER 117 HA SER 117 0.949 5.143 -15.022 945 HB2 SER 117 2HB SER 117 -1.542 3.493 -15.697 946 HB3 SER 117 3HB SER 117 -0.428 4.210 -16.859 947 HG SER 117 HG SER 117 1.066 2.760 -15.293 948 H LYS 118 H LYS 118 0.367 7.088 -15.825 949 HA LYS 118 HA LYS 118 -1.998 8.451 -14.754 950 HB2 LYS 118 2HB LYS 118 0.318 9.465 -14.608 951 HB3 LYS 118 3HB LYS 118 0.346 9.578 -16.366 952 HG2 LYS 118 2HG LYS 118 -1.507 11.153 -16.344 953 HG3 LYS 118 3HG LYS 118 -1.705 10.954 -14.598 954 HD2 LYS 118 2HD LYS 118 0.650 11.859 -14.322 955 HD3 LYS 118 3HD LYS 118 0.647 12.215 -16.055 956 HE2 LYS 118 2HE LYS 118 0.071 14.213 -14.758 957 HE3 LYS 118 3HE LYS 118 -1.306 13.699 -15.739 958 HZ1 LYS 118 3HZ LYS 118 -0.933 13.193 -12.825 959 HZ2 LYS 118 1HZ LYS 118 -2.218 12.600 -13.746 960 HZ3 LYS 118 2HZ LYS 118 -2.034 14.266 -13.528 961 H GLU 119 H GLU 119 -0.478 7.521 -17.799 962 HA GLU 119 HA GLU 119 -3.000 8.022 -19.249 963 HB2 GLU 119 2HB GLU 119 -1.648 8.669 -21.270 964 HB3 GLU 119 3HB GLU 119 -1.576 9.825 -19.958 965 HG2 GLU 119 2HG GLU 119 0.617 7.833 -20.603 966 HG3 GLU 119 3HG GLU 119 0.588 9.500 -21.162 Start of MODEL 20 1 H1 MET 1 1H MET 1 24.743 30.911 29.917 2 H2 MET 1 2H MET 1 25.820 32.154 29.517 3 H3 MET 1 3H MET 1 26.036 31.273 30.941 4 HA MET 1 HA MET 1 27.592 30.664 29.166 5 HB2 MET 1 2HB MET 1 27.297 28.204 29.405 6 HB3 MET 1 3HB MET 1 27.120 29.041 30.942 7 HG2 MET 1 2HG MET 1 24.830 28.027 29.232 8 HG3 MET 1 3HG MET 1 25.468 27.226 30.666 9 HE1 MET 1 3HE MET 1 25.200 28.192 33.153 10 HE2 MET 1 1HE MET 1 24.440 29.742 33.517 11 HE3 MET 1 2HE MET 1 25.989 29.697 32.673 12 H GLY 2 H GLY 2 27.880 29.544 27.106 13 HA2 GLY 2 2HA GLY 2 25.577 29.221 25.337 14 HA3 GLY 2 3HA GLY 2 26.637 30.580 24.973 15 H HIS 3 H HIS 3 26.535 27.077 25.372 16 HA HIS 3 HA HIS 3 28.853 26.753 23.541 17 HB2 HIS 3 2HB HIS 3 29.026 24.432 24.454 18 HB3 HIS 3 3HB HIS 3 29.225 25.657 25.700 19 HD1 HIS 3 HD1 HIS 3 26.888 22.932 24.575 20 HD2 HIS 3 HD2 HIS 3 27.228 25.657 27.694 21 HE1 HIS 3 HE1 HIS 3 25.211 22.211 26.294 22 HE2 HIS 3 HE2 HIS 3 25.572 23.762 28.236 23 H HIS 4 H HIS 4 25.957 27.334 22.962 24 HA HIS 4 HA HIS 4 24.576 25.063 22.008 25 HB2 HIS 4 2HB HIS 4 23.452 27.172 22.616 26 HB3 HIS 4 3HB HIS 4 24.287 28.025 21.326 27 HD1 HIS 4 HD1 HIS 4 21.549 25.489 21.894 28 HD2 HIS 4 HD2 HIS 4 23.016 27.916 18.857 29 HE1 HIS 4 HE1 HIS 4 19.851 25.373 20.049 30 HE2 HIS 4 HE2 HIS 4 20.824 26.746 18.183 31 H HIS 5 H HIS 5 24.692 23.987 20.125 32 HA HIS 5 HA HIS 5 26.802 24.522 18.226 33 HB2 HIS 5 2HB HIS 5 24.630 22.369 18.187 34 HB3 HIS 5 3HB HIS 5 26.060 22.393 17.156 35 HD1 HIS 5 HD1 HIS 5 25.155 20.220 19.394 36 HD2 HIS 5 HD2 HIS 5 28.236 22.990 19.654 37 HE1 HIS 5 HE1 HIS 5 26.745 19.297 21.098 38 HE2 HIS 5 HE2 HIS 5 28.528 21.049 21.328 39 H HIS 6 H HIS 6 26.608 25.165 16.115 40 HA HIS 6 HA HIS 6 24.552 26.957 15.382 41 HB2 HIS 6 2HB HIS 6 26.709 25.657 13.660 42 HB3 HIS 6 3HB HIS 6 25.672 26.970 13.115 43 HD1 HIS 6 HD1 HIS 6 26.614 29.237 13.405 44 HD2 HIS 6 HD2 HIS 6 28.365 26.510 16.006 45 HE1 HIS 6 HE1 HIS 6 28.471 30.480 14.541 46 HE2 HIS 6 HE2 HIS 6 29.401 28.855 16.215 47 H HIS 7 H HIS 7 25.428 23.788 14.049 48 HA HIS 7 HA HIS 7 24.314 22.190 12.921 49 HB2 HIS 7 2HB HIS 7 23.834 21.860 15.396 50 HB3 HIS 7 3HB HIS 7 22.250 22.580 15.122 51 HD1 HIS 7 HD1 HIS 7 20.637 20.687 15.222 52 HD2 HIS 7 HD2 HIS 7 24.056 19.652 13.103 53 HE1 HIS 7 HE1 HIS 7 20.233 18.361 14.390 54 HE2 HIS 7 HE2 HIS 7 22.391 17.691 13.285 55 H HIS 8 H HIS 8 23.845 23.193 10.963 56 HA HIS 8 HA HIS 8 21.560 24.975 10.643 57 HB2 HIS 8 2HB HIS 8 23.883 25.451 9.756 58 HB3 HIS 8 3HB HIS 8 23.692 24.122 8.622 59 HD1 HIS 8 HD1 HIS 8 22.643 24.687 6.415 60 HD2 HIS 8 HD2 HIS 8 22.044 27.680 9.231 61 HE1 HIS 8 HE1 HIS 8 21.585 26.585 5.165 62 HE2 HIS 8 HE2 HIS 8 21.317 28.411 6.870 63 H SER 9 H SER 9 21.111 22.050 11.049 64 HA SER 9 HA SER 9 20.231 20.797 8.656 65 HB2 SER 9 2HB SER 9 19.000 19.277 10.333 66 HB3 SER 9 3HB SER 9 20.744 19.404 10.551 67 HG SER 9 HG SER 9 18.893 21.018 11.954 68 H HIS 10 H HIS 10 18.877 22.097 7.479 69 HA HIS 10 HA HIS 10 16.555 23.430 8.541 70 HB2 HIS 10 2HB HIS 10 17.903 24.265 6.564 71 HB3 HIS 10 3HB HIS 10 17.302 22.906 5.624 72 HD1 HIS 10 HD1 HIS 10 16.668 26.353 6.231 73 HD2 HIS 10 HD2 HIS 10 14.242 23.063 5.496 74 HE1 HIS 10 HE1 HIS 10 14.497 27.289 5.394 75 HE2 HIS 10 HE2 HIS 10 13.107 25.277 4.831 76 H MET 11 H MET 11 15.543 21.615 9.579 77 HA MET 11 HA MET 11 14.625 19.303 8.124 78 HB2 MET 11 2HB MET 11 15.088 19.111 10.529 79 HB3 MET 11 3HB MET 11 13.899 20.354 10.893 80 HG2 MET 11 2HG MET 11 12.136 18.806 9.911 81 HG3 MET 11 3HG MET 11 13.377 17.551 9.876 82 HE1 MET 11 3HE MET 11 11.630 16.051 11.377 83 HE2 MET 11 1HE MET 11 10.500 17.406 11.426 84 HE3 MET 11 2HE MET 11 10.990 16.613 12.922 85 H ASN 12 H ASN 12 13.207 19.786 6.483 86 HA ASN 12 HA ASN 12 10.843 21.410 6.879 87 HB2 ASN 12 2HB ASN 12 11.740 21.079 4.591 88 HB3 ASN 12 3HB ASN 12 11.489 19.339 4.719 89 HD21 ASN 12 1HD2 ASN 12 10.087 19.322 2.921 90 HD22 ASN 12 2HD2 ASN 12 8.479 19.949 3.001 91 H SER 13 H SER 13 9.035 20.753 7.865 92 HA SER 13 HA SER 13 8.511 17.872 8.379 93 HB2 SER 13 2HB SER 13 7.670 20.259 10.087 94 HB3 SER 13 3HB SER 13 7.422 18.551 10.469 95 HG SER 13 HG SER 13 10.019 19.039 9.930 96 H GLN 14 H GLN 14 7.514 20.619 6.723 97 HA GLN 14 HA GLN 14 4.661 20.213 6.697 98 HB2 GLN 14 2HB GLN 14 6.543 22.002 5.102 99 HB3 GLN 14 3HB GLN 14 4.811 21.957 4.802 100 HG2 GLN 14 2HG GLN 14 6.073 22.699 7.457 101 HG3 GLN 14 3HG GLN 14 5.516 23.853 6.246 102 HE21 GLN 14 1HE2 GLN 14 3.269 24.075 5.899 103 HE22 GLN 14 2HE2 GLN 14 2.104 23.498 7.036 104 H ARG 15 H ARG 15 3.656 20.214 4.375 105 HA ARG 15 HA ARG 15 2.755 18.759 2.945 106 HB2 ARG 15 2HB ARG 15 5.666 18.201 2.231 107 HB3 ARG 15 3HB ARG 15 4.306 17.525 1.335 108 HG2 ARG 15 2HG ARG 15 3.516 19.889 0.906 109 HG3 ARG 15 3HG ARG 15 5.020 20.463 1.625 110 HD2 ARG 15 2HD ARG 15 6.296 19.254 -0.143 111 HD3 ARG 15 3HD ARG 15 4.768 18.733 -0.871 112 HE ARG 15 HE ARG 15 5.084 21.601 -0.508 113 HH11 ARG 15 1HH1 ARG 15 5.443 18.939 -2.781 114 HH12 ARG 15 2HH1 ARG 15 5.429 19.982 -4.167 115 HH21 ARG 15 1HH2 ARG 15 5.072 22.937 -2.325 116 HH22 ARG 15 2HH2 ARG 15 5.218 22.246 -3.910 117 H LEU 16 H LEU 16 3.069 17.963 5.632 118 HA LEU 16 HA LEU 16 3.331 15.085 5.585 119 HB2 LEU 16 2HB LEU 16 2.540 15.070 7.864 120 HB3 LEU 16 3HB LEU 16 3.862 16.198 7.674 121 HG LEU 16 HG LEU 16 1.026 17.253 7.663 122 HD11 LEU 16 1HD1 LEU 16 2.576 16.572 10.173 123 HD12 LEU 16 2HD1 LEU 16 1.122 15.764 9.578 124 HD13 LEU 16 3HD1 LEU 16 1.039 17.447 10.093 125 HD21 LEU 16 3HD2 LEU 16 2.843 18.843 7.141 126 HD22 LEU 16 1HD2 LEU 16 3.616 18.482 8.689 127 HD23 LEU 16 2HD2 LEU 16 2.030 19.260 8.646 128 H ILE 17 H ILE 17 2.081 14.642 3.929 129 HA ILE 17 HA ILE 17 -0.615 15.376 3.476 130 HB ILE 17 HB ILE 17 1.131 13.184 2.271 131 HG12 ILE 17 2HG1 ILE 17 0.352 15.952 1.247 132 HG13 ILE 17 3HG1 ILE 17 1.903 15.533 1.964 133 HG21 ILE 17 1HG2 ILE 17 -1.231 12.556 1.929 134 HG22 ILE 17 2HG2 ILE 17 -0.488 13.039 0.402 135 HG23 ILE 17 3HG2 ILE 17 -1.568 14.150 1.247 136 HD11 ILE 17 3HD1 ILE 17 2.328 14.010 0.103 137 HD12 ILE 17 1HD1 ILE 17 2.083 15.679 -0.403 138 HD13 ILE 17 2HD1 ILE 17 0.793 14.499 -0.628 139 H HIS 18 H HIS 18 -2.143 14.799 4.808 140 HA HIS 18 HA HIS 18 -1.967 12.683 6.698 141 HB2 HIS 18 2HB HIS 18 -4.420 14.325 5.932 142 HB3 HIS 18 3HB HIS 18 -4.197 13.413 7.422 143 HD1 HIS 18 HD1 HIS 18 -2.064 14.365 8.942 144 HD2 HIS 18 HD2 HIS 18 -3.763 16.963 6.179 145 HE1 HIS 18 HE1 HIS 18 -1.358 16.670 9.649 146 HE2 HIS 18 HE2 HIS 18 -2.442 18.217 7.994 147 H ILE 19 H ILE 19 -2.737 10.639 6.596 148 HA ILE 19 HA ILE 19 -4.182 9.725 4.176 149 HB ILE 19 HB ILE 19 -1.926 8.255 5.657 150 HG12 ILE 19 2HG1 ILE 19 -1.013 10.042 4.190 151 HG13 ILE 19 3HG1 ILE 19 -0.600 8.453 3.563 152 HG21 ILE 19 1HG2 ILE 19 -3.624 6.671 4.895 153 HG22 ILE 19 2HG2 ILE 19 -2.166 6.495 3.917 154 HG23 ILE 19 3HG2 ILE 19 -3.570 7.345 3.264 155 HD11 ILE 19 3HD1 ILE 19 -1.182 9.947 1.768 156 HD12 ILE 19 1HD1 ILE 19 -2.744 10.297 2.507 157 HD13 ILE 19 2HD1 ILE 19 -2.403 8.679 1.885 158 H LYS 20 H LYS 20 -6.115 8.786 4.789 159 HA LYS 20 HA LYS 20 -6.583 8.337 7.662 160 HB2 LYS 20 2HB LYS 20 -8.160 9.917 6.626 161 HB3 LYS 20 3HB LYS 20 -8.556 8.756 5.361 162 HG2 LYS 20 2HG LYS 20 -9.606 7.262 7.007 163 HG3 LYS 20 3HG LYS 20 -9.117 8.332 8.322 164 HD2 LYS 20 2HD LYS 20 -11.496 8.639 7.793 165 HD3 LYS 20 3HD LYS 20 -10.585 10.108 7.446 166 HE2 LYS 20 2HE LYS 20 -10.590 9.530 5.030 167 HE3 LYS 20 3HE LYS 20 -11.504 8.063 5.391 168 HZ1 LYS 20 3HZ LYS 20 -12.919 9.891 4.605 169 HZ2 LYS 20 1HZ LYS 20 -12.468 10.830 5.937 170 HZ3 LYS 20 2HZ LYS 20 -13.339 9.401 6.164 171 H THR 21 H THR 21 -6.956 6.337 8.373 172 HA THR 21 HA THR 21 -6.821 4.090 6.459 173 HB THR 21 HB THR 21 -4.989 4.022 8.039 174 HG1 THR 21 HG1 THR 21 -6.178 2.047 7.491 175 HG21 THR 21 3HG2 THR 21 -7.027 4.027 10.300 176 HG22 THR 21 1HG2 THR 21 -5.911 5.343 9.911 177 HG23 THR 21 2HG2 THR 21 -5.288 3.793 10.476 178 H LEU 22 H LEU 22 -8.474 2.721 6.281 179 HA LEU 22 HA LEU 22 -10.805 2.868 8.099 180 HB2 LEU 22 2HB LEU 22 -10.851 2.663 5.048 181 HB3 LEU 22 3HB LEU 22 -12.268 2.585 6.084 182 HG LEU 22 HG LEU 22 -10.464 5.025 5.783 183 HD11 LEU 22 1HD1 LEU 22 -11.697 4.600 3.720 184 HD12 LEU 22 2HD1 LEU 22 -12.288 6.053 4.520 185 HD13 LEU 22 3HD1 LEU 22 -13.221 4.554 4.611 186 HD21 LEU 22 3HD2 LEU 22 -12.209 6.245 7.022 187 HD22 LEU 22 1HD2 LEU 22 -11.500 4.956 7.993 188 HD23 LEU 22 2HD2 LEU 22 -13.097 4.738 7.272 189 H THR 23 H THR 23 -11.682 0.920 8.616 190 HA THR 23 HA THR 23 -10.124 -1.456 8.233 191 HB THR 23 HB THR 23 -11.980 -2.552 9.596 192 HG1 THR 23 HG1 THR 23 -13.417 -0.866 10.582 193 HG21 THR 23 3HG2 THR 23 -11.474 -1.357 11.700 194 HG22 THR 23 1HG2 THR 23 -10.817 0.004 10.791 195 HG23 THR 23 2HG2 THR 23 -10.010 -1.568 10.737 196 H THR 24 H THR 24 -10.842 -3.435 7.266 197 HA THR 24 HA THR 24 -12.828 -3.216 5.077 198 HB THR 24 HB THR 24 -11.268 -4.605 3.679 199 HG1 THR 24 HG1 THR 24 -9.426 -4.234 5.827 200 HG21 THR 24 3HG2 THR 24 -11.122 -2.137 3.460 201 HG22 THR 24 1HG2 THR 24 -9.560 -2.912 3.181 202 HG23 THR 24 2HG2 THR 24 -9.885 -2.108 4.718 203 HA PRO 25 HA PRO 25 -14.561 -7.130 6.611 204 HB2 PRO 25 2HB PRO 25 -14.437 -8.901 4.423 205 HB3 PRO 25 3HB PRO 25 -15.702 -7.679 4.667 206 HG2 PRO 25 2HG PRO 25 -13.210 -7.496 2.996 207 HG3 PRO 25 3HG PRO 25 -14.872 -6.997 2.595 208 HD2 PRO 25 2HD PRO 25 -13.087 -5.160 3.326 209 HD3 PRO 25 3HD PRO 25 -14.750 -5.053 3.948 210 H ASN 26 H ASN 26 -11.361 -7.176 5.224 211 HA ASN 26 HA ASN 26 -10.622 -9.608 6.750 212 HB2 ASN 26 2HB ASN 26 -9.139 -8.232 4.463 213 HB3 ASN 26 3HB ASN 26 -8.561 -9.644 5.341 214 HD21 ASN 26 1HD2 ASN 26 -8.477 -10.935 3.508 215 HD22 ASN 26 2HD2 ASN 26 -9.891 -11.500 2.697 216 H GLU 27 H GLU 27 -9.403 -9.294 8.553 217 HA GLU 27 HA GLU 27 -8.175 -6.817 9.311 218 HB2 GLU 27 2HB GLU 27 -7.245 -8.015 11.199 219 HB3 GLU 27 3HB GLU 27 -8.881 -8.599 10.957 220 HG2 GLU 27 2HG GLU 27 -6.332 -10.046 10.166 221 HG3 GLU 27 3HG GLU 27 -7.324 -10.406 11.572 222 H ASN 28 H ASN 28 -7.242 -9.472 7.337 223 HA ASN 28 HA ASN 28 -4.452 -9.283 7.116 224 HB2 ASN 28 2HB ASN 28 -5.746 -11.156 6.200 225 HB3 ASN 28 3HB ASN 28 -6.601 -10.083 5.097 226 HD21 ASN 28 1HD2 ASN 28 -3.650 -11.824 5.669 227 HD22 ASN 28 2HD2 ASN 28 -2.928 -11.516 4.132 228 H ALA 29 H ALA 29 -7.046 -7.698 5.343 229 HA ALA 29 HA ALA 29 -5.245 -5.907 3.890 230 HB1 ALA 29 3HB ALA 29 -7.294 -5.278 2.650 231 HB2 ALA 29 1HB ALA 29 -8.258 -6.314 3.705 232 HB3 ALA 29 2HB ALA 29 -7.046 -7.023 2.636 233 H LEU 30 H LEU 30 -5.644 -3.594 3.914 234 HA LEU 30 HA LEU 30 -7.488 -2.410 5.809 235 HB2 LEU 30 2HB LEU 30 -5.436 -2.915 7.195 236 HB3 LEU 30 3HB LEU 30 -4.504 -1.874 6.136 237 HG LEU 30 HG LEU 30 -5.878 0.082 6.871 238 HD11 LEU 30 1HD1 LEU 30 -7.182 -1.848 8.816 239 HD12 LEU 30 2HD1 LEU 30 -7.963 -1.075 7.433 240 HD13 LEU 30 3HD1 LEU 30 -7.394 -0.094 8.782 241 HD21 LEU 30 3HD2 LEU 30 -3.751 -0.408 7.992 242 HD22 LEU 30 1HD2 LEU 30 -4.578 -1.453 9.151 243 HD23 LEU 30 2HD2 LEU 30 -4.910 0.282 9.124 244 H LYS 31 H LYS 31 -8.231 -0.573 4.955 245 HA LYS 31 HA LYS 31 -7.299 0.291 2.355 246 HB2 LYS 31 2HB LYS 31 -9.701 -0.028 2.799 247 HB3 LYS 31 3HB LYS 31 -9.650 1.166 4.090 248 HG2 LYS 31 2HG LYS 31 -9.211 2.949 2.459 249 HG3 LYS 31 3HG LYS 31 -9.178 1.766 1.145 250 HD2 LYS 31 2HD LYS 31 -11.554 1.202 1.592 251 HD3 LYS 31 3HD LYS 31 -11.585 2.361 2.924 252 HE2 LYS 31 2HE LYS 31 -11.194 4.202 1.342 253 HE3 LYS 31 3HE LYS 31 -11.106 3.051 0.006 254 HZ1 LYS 31 3HZ LYS 31 -13.413 2.426 0.481 255 HZ2 LYS 31 1HZ LYS 31 -13.272 4.067 0.101 256 HZ3 LYS 31 2HZ LYS 31 -13.483 3.585 1.706 257 H PHE 32 H PHE 32 -5.968 1.968 2.033 258 HA PHE 32 HA PHE 32 -5.633 4.116 4.049 259 HB2 PHE 32 2HB PHE 32 -3.659 3.017 1.985 260 HB3 PHE 32 3HB PHE 32 -3.383 4.499 2.899 261 HD1 PHE 32 HD2 PHE 32 -3.795 0.815 3.216 262 HD2 PHE 32 HD1 PHE 32 -2.629 4.432 5.179 263 HE1 PHE 32 HE2 PHE 32 -2.852 -0.492 5.069 264 HE2 PHE 32 HE1 PHE 32 -1.693 3.115 7.022 265 HZ PHE 32 HZ PHE 32 -1.802 0.654 6.969 266 H LEU 33 H LEU 33 -6.474 5.964 3.447 267 HA LEU 33 HA LEU 33 -7.309 6.394 0.641 268 HB2 LEU 33 2HB LEU 33 -9.106 5.845 2.320 269 HB3 LEU 33 3HB LEU 33 -8.641 7.258 3.252 270 HG LEU 33 HG LEU 33 -9.349 8.735 1.384 271 HD11 LEU 33 1HD1 LEU 33 -10.202 6.189 -0.013 272 HD12 LEU 33 2HD1 LEU 33 -8.910 7.288 -0.509 273 HD13 LEU 33 3HD1 LEU 33 -10.583 7.833 -0.531 274 HD21 LEU 33 3HD2 LEU 33 -10.955 8.179 3.152 275 HD22 LEU 33 1HD2 LEU 33 -11.509 6.777 2.233 276 HD23 LEU 33 2HD2 LEU 33 -11.768 8.409 1.608 277 H SER 34 H SER 34 -6.536 8.264 -0.295 278 HA SER 34 HA SER 34 -5.287 10.320 1.436 279 HB2 SER 34 2HB SER 34 -3.883 9.425 -0.448 280 HB3 SER 34 3HB SER 34 -5.087 10.003 -1.601 281 HG SER 34 HG SER 34 -3.401 11.510 -1.363 282 H THR 35 H THR 35 -6.902 11.603 2.115 283 HA THR 35 HA THR 35 -8.879 12.746 0.230 284 HB THR 35 HB THR 35 -10.195 13.397 2.175 285 HG1 THR 35 HG1 THR 35 -8.578 12.288 4.123 286 HG21 THR 35 3HG2 THR 35 -10.440 11.001 1.597 287 HG22 THR 35 1HG2 THR 35 -10.628 11.259 3.335 288 HG23 THR 35 2HG2 THR 35 -9.121 10.598 2.701 289 H ASP 36 H ASP 36 -5.876 13.374 1.420 290 HA ASP 36 HA ASP 36 -6.002 15.866 2.693 291 HB2 ASP 36 2HB ASP 36 -4.138 14.216 2.915 292 HB3 ASP 36 3HB ASP 36 -3.642 14.557 1.259 293 H GLY 37 H GLY 37 -4.690 15.148 -0.567 294 HA2 GLY 37 2HA GLY 37 -6.050 17.420 -1.761 295 HA3 GLY 37 3HA GLY 37 -4.302 17.608 -1.639 296 H GLU 38 H GLU 38 -2.963 16.066 -2.690 297 HA GLU 38 HA GLU 38 -3.891 15.183 -5.243 298 HB2 GLU 38 2HB GLU 38 -1.557 14.208 -5.482 299 HB3 GLU 38 3HB GLU 38 -1.639 15.939 -5.225 300 HG2 GLU 38 2HG GLU 38 -1.089 14.017 -2.961 301 HG3 GLU 38 3HG GLU 38 0.195 14.624 -3.995 302 H MET 39 H MET 39 -4.844 13.373 -5.685 303 HA MET 39 HA MET 39 -5.034 11.217 -3.694 304 HB2 MET 39 2HB MET 39 -7.088 12.410 -4.668 305 HB3 MET 39 3HB MET 39 -6.718 11.634 -6.199 306 HG2 MET 39 2HG MET 39 -6.979 9.428 -5.111 307 HG3 MET 39 3HG MET 39 -7.409 10.247 -3.607 308 HE1 MET 39 3HE MET 39 -8.385 10.968 -7.423 309 HE2 MET 39 1HE MET 39 -9.983 10.222 -7.448 310 HE3 MET 39 2HE MET 39 -8.553 9.222 -7.209 311 H LEU 40 H LEU 40 -4.976 8.966 -4.518 312 HA LEU 40 HA LEU 40 -2.448 8.508 -5.591 313 HB2 LEU 40 2HB LEU 40 -4.758 6.596 -5.165 314 HB3 LEU 40 3HB LEU 40 -3.121 6.078 -5.549 315 HG LEU 40 HG LEU 40 -3.940 7.609 -3.043 316 HD11 LEU 40 1HD1 LEU 40 -3.196 4.700 -3.443 317 HD12 LEU 40 2HD1 LEU 40 -4.778 5.352 -2.998 318 HD13 LEU 40 3HD1 LEU 40 -3.426 5.494 -1.877 319 HD21 LEU 40 3HD2 LEU 40 -1.636 8.178 -3.705 320 HD22 LEU 40 1HD2 LEU 40 -1.219 6.463 -3.796 321 HD23 LEU 40 2HD2 LEU 40 -1.643 7.193 -2.245 322 H GLN 41 H GLN 41 -5.571 7.538 -7.180 323 HA GLN 41 HA GLN 41 -4.059 7.399 -9.741 324 HB2 GLN 41 2HB GLN 41 -4.874 5.182 -8.717 325 HB3 GLN 41 3HB GLN 41 -6.510 5.713 -9.091 326 HG2 GLN 41 2HG GLN 41 -5.854 5.897 -11.499 327 HG3 GLN 41 3HG GLN 41 -4.265 5.263 -11.085 328 HE21 GLN 41 1HE2 GLN 41 -5.547 3.328 -9.106 329 HE22 GLN 41 2HE2 GLN 41 -6.189 2.087 -10.115 330 H THR 42 H THR 42 -7.591 7.120 -9.443 331 HA THR 42 HA THR 42 -8.459 9.697 -9.956 332 HB THR 42 HB THR 42 -7.173 9.626 -12.096 333 HG1 THR 42 HG1 THR 42 -9.215 9.883 -13.488 334 HG21 THR 42 3HG2 THR 42 -7.856 8.129 -13.948 335 HG22 THR 42 1HG2 THR 42 -8.983 7.297 -12.866 336 HG23 THR 42 2HG2 THR 42 -7.245 7.199 -12.579 337 H ARG 43 H ARG 43 -10.783 9.751 -10.428 338 HA ARG 43 HA ARG 43 -12.261 7.391 -9.734 339 HB2 ARG 43 2HB ARG 43 -13.186 10.094 -10.784 340 HB3 ARG 43 3HB ARG 43 -14.302 8.796 -10.376 341 HG2 ARG 43 2HG ARG 43 -12.442 10.252 -8.470 342 HG3 ARG 43 3HG ARG 43 -14.199 10.397 -8.562 343 HD2 ARG 43 2HD ARG 43 -12.613 7.955 -7.704 344 HD3 ARG 43 3HD ARG 43 -13.599 8.995 -6.675 345 HE ARG 43 HE ARG 43 -15.315 8.019 -8.616 346 HH11 ARG 43 1HH1 ARG 43 -13.314 6.592 -6.090 347 HH12 ARG 43 2HH1 ARG 43 -14.359 5.217 -5.884 348 HH21 ARG 43 1HH2 ARG 43 -16.658 6.186 -8.335 349 HH22 ARG 43 2HH2 ARG 43 -16.236 4.993 -7.146 350 H GLY 44 H GLY 44 -13.750 6.232 -11.045 351 HA2 GLY 44 2HA GLY 44 -14.606 5.359 -13.054 352 HA3 GLY 44 3HA GLY 44 -13.517 6.382 -13.981 353 H SER 45 H SER 45 -12.022 4.796 -11.395 354 HA SER 45 HA SER 45 -10.567 2.961 -13.155 355 HB2 SER 45 2HB SER 45 -9.260 4.474 -11.709 356 HB3 SER 45 3HB SER 45 -10.083 3.870 -10.270 357 HG SER 45 HG SER 45 -8.285 2.699 -10.299 358 H LYS 46 H LYS 46 -9.855 0.878 -11.812 359 HA LYS 46 HA LYS 46 -12.114 -0.336 -10.356 360 HB2 LYS 46 2HB LYS 46 -11.551 -2.544 -11.631 361 HB3 LYS 46 3HB LYS 46 -12.501 -1.326 -12.463 362 HG2 LYS 46 2HG LYS 46 -10.954 -2.188 -14.054 363 HG3 LYS 46 3HG LYS 46 -10.399 -0.569 -13.629 364 HD2 LYS 46 2HD LYS 46 -8.682 -1.568 -12.129 365 HD3 LYS 46 3HD LYS 46 -9.237 -3.184 -12.577 366 HE2 LYS 46 2HE LYS 46 -8.066 -1.138 -14.501 367 HE3 LYS 46 3HE LYS 46 -7.189 -2.501 -13.806 368 HZ1 LYS 46 3HZ LYS 46 -7.921 -3.035 -16.015 369 HZ2 LYS 46 1HZ LYS 46 -9.529 -2.674 -15.630 370 HZ3 LYS 46 2HZ LYS 46 -8.764 -3.995 -14.912 371 H SER 47 H SER 47 -11.196 -2.649 -9.574 372 HA SER 47 HA SER 47 -9.136 -2.041 -7.671 373 HB2 SER 47 2HB SER 47 -10.492 -4.704 -8.269 374 HB3 SER 47 3HB SER 47 -9.587 -4.297 -6.808 375 HG SER 47 HG SER 47 -11.919 -2.923 -7.675 376 H ILE 48 H ILE 48 -7.224 -1.674 -8.817 377 HA ILE 48 HA ILE 48 -6.059 -3.680 -10.566 378 HB ILE 48 HB ILE 48 -4.759 -1.189 -9.370 379 HG12 ILE 48 2HG1 ILE 48 -6.105 -1.578 -12.086 380 HG13 ILE 48 3HG1 ILE 48 -6.696 -0.577 -10.764 381 HG21 ILE 48 1HG2 ILE 48 -3.048 -1.419 -11.142 382 HG22 ILE 48 2HG2 ILE 48 -3.816 -2.904 -11.705 383 HG23 ILE 48 3HG2 ILE 48 -3.076 -2.849 -10.105 384 HD11 ILE 48 3HD1 ILE 48 -4.762 0.898 -11.021 385 HD12 ILE 48 1HD1 ILE 48 -5.711 0.772 -12.500 386 HD13 ILE 48 2HD1 ILE 48 -4.182 -0.094 -12.364 387 H VAL 49 H VAL 49 -5.644 -5.568 -9.490 388 HA VAL 49 HA VAL 49 -4.548 -5.597 -6.778 389 HB VAL 49 HB VAL 49 -5.267 -7.928 -8.632 390 HG11 VAL 49 1HG1 VAL 49 -4.635 -7.981 -5.654 391 HG12 VAL 49 2HG1 VAL 49 -3.603 -8.600 -6.944 392 HG13 VAL 49 3HG1 VAL 49 -5.161 -9.364 -6.622 393 HG21 VAL 49 3HG2 VAL 49 -7.318 -8.186 -7.275 394 HG22 VAL 49 1HG2 VAL 49 -7.266 -6.604 -8.061 395 HG23 VAL 49 2HG2 VAL 49 -6.892 -6.750 -6.342 396 H ILE 50 H ILE 50 -2.422 -5.137 -6.729 397 HA ILE 50 HA ILE 50 -0.523 -6.394 -8.628 398 HB ILE 50 HB ILE 50 -0.076 -4.117 -6.619 399 HG12 ILE 50 2HG1 ILE 50 -0.387 -3.960 -9.650 400 HG13 ILE 50 3HG1 ILE 50 -1.534 -3.356 -8.460 401 HG21 ILE 50 1HG2 ILE 50 2.118 -3.814 -7.728 402 HG22 ILE 50 2HG2 ILE 50 1.796 -5.217 -8.746 403 HG23 ILE 50 3HG2 ILE 50 1.970 -5.417 -7.002 404 HD11 ILE 50 3HD1 ILE 50 0.151 -1.728 -7.695 405 HD12 ILE 50 1HD1 ILE 50 -0.266 -1.544 -9.398 406 HD13 ILE 50 2HD1 ILE 50 1.257 -2.309 -8.947 407 H LYS 51 H LYS 51 0.081 -8.371 -7.745 408 HA LYS 51 HA LYS 51 0.326 -8.655 -4.817 409 HB2 LYS 51 2HB LYS 51 0.385 -10.723 -7.061 410 HB3 LYS 51 3HB LYS 51 0.682 -11.114 -5.368 411 HG2 LYS 51 2HG LYS 51 -1.576 -10.363 -4.764 412 HG3 LYS 51 3HG LYS 51 -1.897 -9.894 -6.430 413 HD2 LYS 51 2HD LYS 51 -1.168 -12.767 -5.793 414 HD3 LYS 51 3HD LYS 51 -2.805 -12.194 -5.487 415 HE2 LYS 51 2HE LYS 51 -2.730 -13.265 -7.655 416 HE3 LYS 51 3HE LYS 51 -2.995 -11.540 -7.884 417 HZ1 LYS 51 3HZ LYS 51 -0.630 -11.316 -8.421 418 HZ2 LYS 51 1HZ LYS 51 -1.420 -12.378 -9.471 419 HZ3 LYS 51 2HZ LYS 51 -0.423 -12.985 -8.249 420 H ASN 52 H ASN 52 2.249 -9.995 -4.115 421 HA ASN 52 HA ASN 52 4.654 -8.668 -4.500 422 HB2 ASN 52 2HB ASN 52 5.697 -10.667 -3.318 423 HB3 ASN 52 3HB ASN 52 4.337 -9.919 -2.489 424 HD21 ASN 52 1HD2 ASN 52 3.960 -11.792 -1.283 425 HD22 ASN 52 2HD2 ASN 52 3.266 -13.219 -1.964 426 H THR 53 H THR 53 3.280 -11.223 -6.368 427 HA THR 53 HA THR 53 5.745 -12.023 -7.695 428 HB THR 53 HB THR 53 4.154 -13.787 -7.178 429 HG1 THR 53 HG1 THR 53 5.318 -13.810 -9.266 430 HG21 THR 53 3HG2 THR 53 1.898 -13.897 -8.167 431 HG22 THR 53 1HG2 THR 53 2.131 -12.305 -8.899 432 HG23 THR 53 2HG2 THR 53 2.069 -12.471 -7.142 433 H ASP 54 H ASP 54 3.280 -9.667 -8.150 434 HA ASP 54 HA ASP 54 3.486 -9.494 -11.060 435 HB2 ASP 54 2HB ASP 54 1.962 -7.834 -8.995 436 HB3 ASP 54 3HB ASP 54 1.948 -7.466 -10.716 437 H GLU 55 H GLU 55 5.939 -9.259 -10.498 438 HA GLU 55 HA GLU 55 7.053 -6.901 -9.477 439 HB2 GLU 55 2HB GLU 55 8.207 -9.142 -9.850 440 HB3 GLU 55 3HB GLU 55 8.318 -8.732 -11.558 441 HG2 GLU 55 2HG GLU 55 9.600 -6.626 -10.811 442 HG3 GLU 55 3HG GLU 55 9.686 -7.371 -9.216 443 H ASN 56 H ASN 56 5.785 -7.638 -12.665 444 HA ASN 56 HA ASN 56 6.779 -5.571 -14.266 445 HB2 ASN 56 2HB ASN 56 3.928 -6.688 -14.218 446 HB3 ASN 56 3HB ASN 56 4.624 -5.751 -15.540 447 HD21 ASN 56 1HD2 ASN 56 3.496 -8.414 -15.562 448 HD22 ASN 56 2HD2 ASN 56 4.737 -9.457 -16.158 449 H LEU 57 H LEU 57 3.979 -5.639 -12.108 450 HA LEU 57 HA LEU 57 3.169 -2.929 -12.675 451 HB2 LEU 57 2HB LEU 57 2.084 -4.743 -10.487 452 HB3 LEU 57 3HB LEU 57 1.278 -3.390 -11.260 453 HG LEU 57 HG LEU 57 1.846 -6.115 -12.492 454 HD11 LEU 57 1HD1 LEU 57 -0.591 -6.374 -12.539 455 HD12 LEU 57 2HD1 LEU 57 -0.790 -4.797 -11.766 456 HD13 LEU 57 3HD1 LEU 57 -0.003 -6.116 -10.896 457 HD21 LEU 57 3HD2 LEU 57 2.106 -4.439 -14.234 458 HD22 LEU 57 1HD2 LEU 57 0.544 -3.719 -13.827 459 HD23 LEU 57 2HD2 LEU 57 0.628 -5.357 -14.489 460 H ILE 58 H ILE 58 4.802 -4.671 -10.053 461 HA ILE 58 HA ILE 58 4.919 -2.656 -8.090 462 HB ILE 58 HB ILE 58 6.914 -4.916 -8.605 463 HG12 ILE 58 2HG1 ILE 58 4.570 -4.817 -6.645 464 HG13 ILE 58 3HG1 ILE 58 4.563 -5.683 -8.175 465 HG21 ILE 58 1HG2 ILE 58 7.944 -3.195 -7.180 466 HG22 ILE 58 2HG2 ILE 58 7.604 -4.639 -6.230 467 HG23 ILE 58 3HG2 ILE 58 6.551 -3.230 -6.095 468 HD11 ILE 58 3HD1 ILE 58 4.935 -7.192 -6.336 469 HD12 ILE 58 1HD1 ILE 58 6.345 -6.267 -5.817 470 HD13 ILE 58 2HD1 ILE 58 6.367 -7.124 -7.362 471 H ASN 59 H ASN 59 7.298 -3.530 -10.653 472 HA ASN 59 HA ASN 59 9.142 -1.451 -10.118 473 HB2 ASN 59 2HB ASN 59 8.685 -3.115 -12.622 474 HB3 ASN 59 3HB ASN 59 9.993 -1.939 -12.496 475 HD21 ASN 59 1HD2 ASN 59 10.050 -4.873 -12.785 476 HD22 ASN 59 2HD2 ASN 59 11.035 -5.441 -11.490 477 H HIS 60 H HIS 60 6.093 -1.295 -11.686 478 HA HIS 60 HA HIS 60 6.651 1.287 -12.958 479 HB2 HIS 60 2HB HIS 60 4.224 -0.527 -12.900 480 HB3 HIS 60 3HB HIS 60 4.032 1.166 -13.354 481 HD1 HIS 60 HD1 HIS 60 4.860 -2.061 -14.777 482 HD2 HIS 60 HD2 HIS 60 5.734 1.900 -15.662 483 HE1 HIS 60 HE1 HIS 60 5.628 -2.058 -17.163 484 HE2 HIS 60 HE2 HIS 60 6.197 0.343 -17.660 485 H SER 61 H SER 61 5.940 0.301 -9.842 486 HA SER 61 HA SER 61 5.007 3.007 -9.080 487 HB2 SER 61 2HB SER 61 3.063 1.506 -8.899 488 HB3 SER 61 3HB SER 61 4.003 0.345 -7.960 489 HG SER 61 HG SER 61 3.081 2.908 -7.211 490 H LYS 62 H LYS 62 6.935 3.761 -8.311 491 HA LYS 62 HA LYS 62 8.883 2.362 -6.862 492 HB2 LYS 62 2HB LYS 62 9.354 4.552 -7.882 493 HB3 LYS 62 3HB LYS 62 8.228 5.341 -6.789 494 HG2 LYS 62 2HG LYS 62 10.578 5.747 -6.131 495 HG3 LYS 62 3HG LYS 62 9.699 4.877 -4.875 496 HD2 LYS 62 2HD LYS 62 11.970 3.981 -5.137 497 HD3 LYS 62 3HD LYS 62 10.772 2.762 -5.575 498 HE2 LYS 62 2HE LYS 62 12.673 2.750 -7.131 499 HE3 LYS 62 3HE LYS 62 11.195 3.213 -7.970 500 HZ1 LYS 62 3HZ LYS 62 11.907 5.542 -7.747 501 HZ2 LYS 62 1HZ LYS 62 12.997 4.615 -8.646 502 HZ3 LYS 62 2HZ LYS 62 13.354 5.025 -7.048 503 H LEU 63 H LEU 63 5.863 3.795 -5.825 504 HA LEU 63 HA LEU 63 6.217 3.765 -3.029 505 HB2 LEU 63 2HB LEU 63 4.290 4.843 -4.216 506 HB3 LEU 63 3HB LEU 63 3.645 3.251 -4.572 507 HG LEU 63 HG LEU 63 3.433 2.830 -2.094 508 HD11 LEU 63 1HD1 LEU 63 4.245 5.733 -1.824 509 HD12 LEU 63 2HD1 LEU 63 5.159 4.323 -1.280 510 HD13 LEU 63 3HD1 LEU 63 3.615 4.708 -0.531 511 HD21 LEU 63 3HD2 LEU 63 1.492 3.598 -3.377 512 HD22 LEU 63 1HD2 LEU 63 1.937 5.278 -3.076 513 HD23 LEU 63 2HD2 LEU 63 1.463 4.232 -1.736 514 H ALA 64 H ALA 64 4.938 1.310 -5.309 515 HA ALA 64 HA ALA 64 4.262 -0.700 -3.469 516 HB1 ALA 64 3HB ALA 64 5.169 -0.986 -6.362 517 HB2 ALA 64 1HB ALA 64 3.511 -0.718 -5.818 518 HB3 ALA 64 2HB ALA 64 4.338 -2.225 -5.412 519 H GLN 65 H GLN 65 7.225 -0.060 -5.305 520 HA GLN 65 HA GLN 65 8.793 -2.220 -4.485 521 HB2 GLN 65 2HB GLN 65 9.714 0.597 -5.231 522 HB3 GLN 65 3HB GLN 65 10.748 -0.835 -5.176 523 HG2 GLN 65 2HG GLN 65 9.355 -1.880 -6.951 524 HG3 GLN 65 3HG GLN 65 8.384 -0.415 -7.027 525 HE21 GLN 65 1HE2 GLN 65 11.404 -1.885 -7.891 526 HE22 GLN 65 2HE2 GLN 65 11.949 -0.615 -8.923 527 H GLN 66 H GLN 66 8.401 1.010 -2.991 528 HA GLN 66 HA GLN 66 10.262 0.620 -0.884 529 HB2 GLN 66 2HB GLN 66 7.947 2.578 -1.170 530 HB3 GLN 66 3HB GLN 66 9.090 2.615 0.167 531 HG2 GLN 66 2HG GLN 66 9.772 3.024 -2.760 532 HG3 GLN 66 3HG GLN 66 9.647 4.285 -1.538 533 HE21 GLN 66 1HE2 GLN 66 11.033 2.802 0.558 534 HE22 GLN 66 2HE2 GLN 66 12.694 2.730 0.094 535 H ILE 67 H ILE 67 6.756 -0.026 -1.113 536 HA ILE 67 HA ILE 67 6.308 -0.539 1.646 537 HB ILE 67 HB ILE 67 4.742 -1.419 -0.830 538 HG12 ILE 67 2HG1 ILE 67 4.146 0.804 1.186 539 HG13 ILE 67 3HG1 ILE 67 4.855 1.059 -0.403 540 HG21 ILE 67 1HG2 ILE 67 4.226 -2.976 1.005 541 HG22 ILE 67 2HG2 ILE 67 2.843 -1.932 0.680 542 HG23 ILE 67 3HG2 ILE 67 3.872 -1.619 2.079 543 HD11 ILE 67 3HD1 ILE 67 2.803 0.192 -1.438 544 HD12 ILE 67 1HD1 ILE 67 2.513 1.606 -0.424 545 HD13 ILE 67 2HD1 ILE 67 2.092 -0.002 0.166 546 H PHE 68 H PHE 68 6.955 -2.689 -1.140 547 HA PHE 68 HA PHE 68 7.104 -5.104 0.379 548 HB2 PHE 68 2HB PHE 68 8.000 -4.407 -2.453 549 HB3 PHE 68 3HB PHE 68 8.200 -6.017 -1.772 550 HD1 PHE 68 HD1 PHE 68 5.986 -7.125 -0.788 551 HD2 PHE 68 HD2 PHE 68 5.996 -3.961 -3.670 552 HE1 PHE 68 HE1 PHE 68 3.717 -7.750 -1.504 553 HE2 PHE 68 HE2 PHE 68 3.721 -4.593 -4.366 554 HZ PHE 68 HZ PHE 68 2.581 -6.490 -3.286 555 H LEU 69 H LEU 69 9.394 -2.532 -0.196 556 HA LEU 69 HA LEU 69 11.807 -4.067 0.242 557 HB2 LEU 69 2HB LEU 69 11.809 -1.984 -1.109 558 HB3 LEU 69 3HB LEU 69 11.312 -1.060 0.296 559 HG LEU 69 HG LEU 69 13.524 -1.659 1.394 560 HD11 LEU 69 1HD1 LEU 69 14.237 -2.775 -1.335 561 HD12 LEU 69 2HD1 LEU 69 14.062 -3.690 0.166 562 HD13 LEU 69 3HD1 LEU 69 15.360 -2.511 0.003 563 HD21 LEU 69 3HD2 LEU 69 13.709 -0.131 -1.228 564 HD22 LEU 69 1HD2 LEU 69 14.858 -0.033 0.111 565 HD23 LEU 69 2HD2 LEU 69 13.202 0.525 0.331 566 H GLN 70 H GLN 70 9.952 -1.677 2.126 567 HA GLN 70 HA GLN 70 11.613 -2.036 4.490 568 HB2 GLN 70 2HB GLN 70 9.251 -0.194 3.903 569 HB3 GLN 70 3HB GLN 70 10.119 -0.212 5.439 570 HG2 GLN 70 2HG GLN 70 12.193 0.463 4.312 571 HG3 GLN 70 3HG GLN 70 11.386 0.405 2.746 572 HE21 GLN 70 1HE2 GLN 70 11.933 2.573 2.362 573 HE22 GLN 70 2HE2 GLN 70 11.120 3.881 3.149 574 H CYS 71 H CYS 71 8.638 -3.345 3.261 575 HA CYS 71 HA CYS 71 8.279 -4.855 5.752 576 HB2 CYS 71 2HB CYS 71 5.990 -3.483 4.275 577 HB3 CYS 71 3HB CYS 71 5.836 -4.538 5.679 578 HG CYS 71 HG CYS 71 7.829 -2.368 6.795 579 HA PRO 72 HA PRO 72 8.205 -7.692 2.050 580 HB2 PRO 72 2HB PRO 72 9.611 -9.746 3.163 581 HB3 PRO 72 3HB PRO 72 10.415 -8.294 2.532 582 HG2 PRO 72 2HG PRO 72 9.726 -8.966 5.379 583 HG3 PRO 72 3HG PRO 72 11.239 -8.309 4.716 584 HD2 PRO 72 2HD PRO 72 9.343 -6.729 5.905 585 HD3 PRO 72 3HD PRO 72 10.412 -6.138 4.613 586 H GLY 73 H GLY 73 6.752 -7.703 5.088 587 HA2 GLY 73 2HA GLY 73 5.507 -10.294 5.079 588 HA3 GLY 73 3HA GLY 73 5.051 -8.910 6.065 589 H VAL 74 H VAL 74 4.932 -7.260 3.523 590 HA VAL 74 HA VAL 74 2.147 -7.452 3.056 591 HB VAL 74 HB VAL 74 4.291 -5.926 1.505 592 HG11 VAL 74 1HG1 VAL 74 2.436 -4.510 0.671 593 HG12 VAL 74 2HG1 VAL 74 1.269 -5.575 1.456 594 HG13 VAL 74 3HG1 VAL 74 2.268 -6.184 0.134 595 HG21 VAL 74 3HG2 VAL 74 3.581 -3.976 2.866 596 HG22 VAL 74 1HG2 VAL 74 4.202 -5.280 3.882 597 HG23 VAL 74 2HG2 VAL 74 2.463 -5.003 3.762 598 H GLU 75 H GLU 75 1.099 -8.750 1.747 599 HA GLU 75 HA GLU 75 2.483 -10.574 -0.072 600 HB2 GLU 75 2HB GLU 75 -0.452 -10.532 0.772 601 HB3 GLU 75 3HB GLU 75 0.388 -11.841 -0.061 602 HG2 GLU 75 2HG GLU 75 1.787 -12.215 1.954 603 HG3 GLU 75 3HG GLU 75 0.936 -10.904 2.772 604 H SER 76 H SER 76 -0.022 -8.045 -0.086 605 HA SER 76 HA SER 76 0.223 -7.678 -2.954 606 HB2 SER 76 2HB SER 76 -1.444 -9.534 -2.794 607 HB3 SER 76 3HB SER 76 -2.470 -8.526 -1.772 608 HG SER 76 HG SER 76 -1.654 -7.682 -4.351 609 H LEU 77 H LEU 77 -0.914 -5.876 -3.717 610 HA LEU 77 HA LEU 77 -1.897 -3.850 -1.820 611 HB2 LEU 77 2HB LEU 77 -0.403 -3.309 -4.440 612 HB3 LEU 77 3HB LEU 77 -0.881 -2.129 -3.232 613 HG LEU 77 HG LEU 77 1.317 -4.213 -2.939 614 HD11 LEU 77 1HD1 LEU 77 2.845 -2.312 -2.940 615 HD12 LEU 77 2HD1 LEU 77 1.497 -1.194 -3.173 616 HD13 LEU 77 3HD1 LEU 77 1.907 -2.364 -4.431 617 HD21 LEU 77 3HD2 LEU 77 0.236 -3.830 -0.774 618 HD22 LEU 77 1HD2 LEU 77 0.471 -2.090 -0.951 619 HD23 LEU 77 2HD2 LEU 77 1.864 -3.164 -0.803 620 H MET 78 H MET 78 -3.916 -3.025 -2.477 621 HA MET 78 HA MET 78 -4.835 -3.655 -5.234 622 HB2 MET 78 2HB MET 78 -6.190 -4.791 -3.436 623 HB3 MET 78 3HB MET 78 -6.621 -3.210 -2.793 624 HG2 MET 78 2HG MET 78 -7.774 -2.644 -4.879 625 HG3 MET 78 3HG MET 78 -7.264 -4.168 -5.602 626 HE1 MET 78 3HE MET 78 -8.200 -6.568 -4.812 627 HE2 MET 78 1HE MET 78 -9.323 -6.763 -3.470 628 HE3 MET 78 2HE MET 78 -7.673 -6.222 -3.164 629 H ILE 79 H ILE 79 -4.471 -1.870 -6.379 630 HA ILE 79 HA ILE 79 -4.567 0.797 -5.231 631 HB ILE 79 HB ILE 79 -4.094 0.018 -8.156 632 HG12 ILE 79 2HG1 ILE 79 -2.395 -1.079 -6.575 633 HG13 ILE 79 3HG1 ILE 79 -1.715 -0.042 -7.820 634 HG21 ILE 79 1HG2 ILE 79 -2.967 2.244 -8.287 635 HG22 ILE 79 2HG2 ILE 79 -3.427 2.564 -6.609 636 HG23 ILE 79 3HG2 ILE 79 -4.672 2.374 -7.849 637 HD11 ILE 79 3HD1 ILE 79 -0.606 0.204 -5.670 638 HD12 ILE 79 1HD1 ILE 79 -2.120 0.734 -4.943 639 HD13 ILE 79 2HD1 ILE 79 -1.351 1.714 -6.195 640 H GLY 80 H GLY 80 -6.544 1.662 -5.066 641 HA2 GLY 80 2HA GLY 80 -8.702 0.982 -6.965 642 HA3 GLY 80 3HA GLY 80 -8.880 1.790 -5.413 643 H ASP 81 H ASP 81 -10.199 3.265 -6.630 644 HA ASP 81 HA ASP 81 -9.152 5.129 -8.512 645 HB2 ASP 81 2HB ASP 81 -11.534 5.415 -6.604 646 HB3 ASP 81 3HB ASP 81 -11.184 6.480 -7.963 647 H ASP 82 H ASP 82 -10.078 5.474 -5.126 648 HA ASP 82 HA ASP 82 -8.470 7.898 -4.774 649 HB2 ASP 82 2HB ASP 82 -10.363 6.800 -2.672 650 HB3 ASP 82 3HB ASP 82 -9.921 8.468 -2.992 651 H PHE 83 H PHE 83 -8.530 4.556 -3.889 652 HA PHE 83 HA PHE 83 -7.034 5.015 -1.369 653 HB2 PHE 83 2HB PHE 83 -8.234 3.082 -0.440 654 HB3 PHE 83 3HB PHE 83 -9.375 4.286 -1.028 655 HD1 PHE 83 HD2 PHE 83 -10.632 3.864 -3.194 656 HD2 PHE 83 HD1 PHE 83 -8.200 0.849 -1.371 657 HE1 PHE 83 HE2 PHE 83 -11.734 2.138 -4.556 658 HE2 PHE 83 HE1 PHE 83 -9.306 -0.862 -2.741 659 HZ PHE 83 HZ PHE 83 -11.073 -0.224 -4.334 660 H LEU 84 H LEU 84 -5.962 3.018 -0.557 661 HA LEU 84 HA LEU 84 -4.901 1.112 -2.506 662 HB2 LEU 84 2HB LEU 84 -3.172 2.774 -2.545 663 HB3 LEU 84 3HB LEU 84 -3.258 3.036 -0.813 664 HG LEU 84 HG LEU 84 -2.164 0.880 -0.386 665 HD11 LEU 84 1HD1 LEU 84 -3.019 -0.467 -2.209 666 HD12 LEU 84 2HD1 LEU 84 -1.259 -0.528 -2.182 667 HD13 LEU 84 3HD1 LEU 84 -2.089 0.469 -3.377 668 HD21 LEU 84 3HD2 LEU 84 0.064 1.394 -1.267 669 HD22 LEU 84 1HD2 LEU 84 -0.751 2.854 -0.707 670 HD23 LEU 84 2HD2 LEU 84 -0.639 2.516 -2.437 671 H THR 85 H THR 85 -5.234 -0.817 -1.624 672 HA THR 85 HA THR 85 -5.721 -1.050 1.276 673 HB THR 85 HB THR 85 -6.594 -2.985 -0.919 674 HG1 THR 85 HG1 THR 85 -7.502 -0.864 -1.178 675 HG21 THR 85 3HG2 THR 85 -7.609 -2.570 1.928 676 HG22 THR 85 1HG2 THR 85 -6.598 -3.926 1.392 677 HG23 THR 85 2HG2 THR 85 -8.236 -3.741 0.769 678 H ILE 86 H ILE 86 -3.948 -1.782 2.313 679 HA ILE 86 HA ILE 86 -1.896 -3.340 0.924 680 HB ILE 86 HB ILE 86 -1.891 -2.368 3.824 681 HG12 ILE 86 2HG1 ILE 86 -2.124 -0.446 2.206 682 HG13 ILE 86 3HG1 ILE 86 -0.649 -0.395 3.153 683 HG21 ILE 86 1HG2 ILE 86 0.578 -2.638 3.655 684 HG22 ILE 86 2HG2 ILE 86 0.388 -3.287 2.026 685 HG23 ILE 86 3HG2 ILE 86 -0.279 -4.161 3.405 686 HD11 ILE 86 3HD1 ILE 86 0.599 -1.235 1.220 687 HD12 ILE 86 1HD1 ILE 86 -0.250 0.276 0.890 688 HD13 ILE 86 2HD1 ILE 86 -0.900 -1.245 0.284 689 H ASN 87 H ASN 87 -2.143 -5.496 0.929 690 HA ASN 87 HA ASN 87 -3.365 -6.936 3.199 691 HB2 ASN 87 2HB ASN 87 -2.587 -7.955 0.413 692 HB3 ASN 87 3HB ASN 87 -3.415 -8.890 1.659 693 HD21 ASN 87 1HD2 ASN 87 -5.237 -9.294 0.447 694 HD22 ASN 87 2HD2 ASN 87 -6.371 -8.081 -0.018 695 H LYS 88 H LYS 88 -2.043 -8.047 4.570 696 HA LYS 88 HA LYS 88 0.691 -8.794 3.729 697 HB2 LYS 88 2HB LYS 88 1.865 -7.655 5.364 698 HB3 LYS 88 3HB LYS 88 0.573 -6.498 5.111 699 HG2 LYS 88 2HG LYS 88 0.650 -8.541 7.364 700 HG3 LYS 88 3HG LYS 88 1.171 -6.863 7.514 701 HD2 LYS 88 2HD LYS 88 -1.098 -6.080 7.060 702 HD3 LYS 88 3HD LYS 88 -1.648 -7.735 6.776 703 HE2 LYS 88 2HE LYS 88 -0.543 -6.730 9.425 704 HE3 LYS 88 3HE LYS 88 -2.257 -6.833 9.033 705 HZ1 LYS 88 3HZ LYS 88 -1.620 -8.741 10.273 706 HZ2 LYS 88 1HZ LYS 88 -0.348 -9.090 9.216 707 HZ3 LYS 88 2HZ LYS 88 -1.948 -9.233 8.692 708 H ASP 89 H ASP 89 1.758 -10.208 5.500 709 HA ASP 89 HA ASP 89 0.163 -12.499 5.918 710 HB2 ASP 89 2HB ASP 89 2.624 -12.632 5.659 711 HB3 ASP 89 3HB ASP 89 2.857 -11.730 7.154 712 H ARG 90 H ARG 90 -1.095 -13.049 7.600 713 HA ARG 90 HA ARG 90 -2.087 -10.975 9.223 714 HB2 ARG 90 2HB ARG 90 -3.687 -12.625 10.077 715 HB3 ARG 90 3HB ARG 90 -3.539 -12.704 8.326 716 HG2 ARG 90 2HG ARG 90 -2.067 -14.708 8.568 717 HG3 ARG 90 3HG ARG 90 -2.317 -14.649 10.317 718 HD2 ARG 90 2HD ARG 90 -4.461 -15.075 8.202 719 HD3 ARG 90 3HD ARG 90 -3.818 -16.297 9.298 720 HE ARG 90 HE ARG 90 -4.879 -15.146 11.138 721 HH11 ARG 90 1HH1 ARG 90 -5.948 -14.073 7.965 722 HH12 ARG 90 2HH1 ARG 90 -7.439 -13.410 8.550 723 HH21 ARG 90 1HH2 ARG 90 -6.856 -14.256 11.900 724 HH22 ARG 90 2HH2 ARG 90 -7.950 -13.516 10.771 725 H MET 91 H MET 91 0.343 -13.354 9.887 726 HA MET 91 HA MET 91 0.151 -13.223 12.780 727 HB2 MET 91 2HB MET 91 2.424 -14.336 11.080 728 HB3 MET 91 3HB MET 91 2.144 -14.642 12.795 729 HG2 MET 91 2HG MET 91 0.337 -15.517 10.527 730 HG3 MET 91 3HG MET 91 1.449 -16.550 11.427 731 HE1 MET 91 3HE MET 91 -2.089 -17.795 12.645 732 HE2 MET 91 1HE MET 91 -0.545 -18.280 11.943 733 HE3 MET 91 2HE MET 91 -1.653 -17.262 11.022 734 H VAL 92 H VAL 92 1.718 -11.383 10.289 735 HA VAL 92 HA VAL 92 3.547 -9.976 12.110 736 HB VAL 92 HB VAL 92 2.965 -9.207 9.202 737 HG11 VAL 92 1HG1 VAL 92 5.437 -8.760 10.929 738 HG12 VAL 92 2HG1 VAL 92 4.212 -7.547 10.551 739 HG13 VAL 92 3HG1 VAL 92 5.217 -8.211 9.263 740 HG21 VAL 92 3HG2 VAL 92 4.846 -10.615 8.468 741 HG22 VAL 92 1HG2 VAL 92 3.581 -11.599 9.211 742 HG23 VAL 92 2HG2 VAL 92 5.052 -11.225 10.112 743 H HIS 93 H HIS 93 3.232 -7.668 12.594 744 HA HIS 93 HA HIS 93 0.330 -7.056 12.802 745 HB2 HIS 93 2HB HIS 93 2.633 -6.262 14.638 746 HB3 HIS 93 3HB HIS 93 0.948 -5.805 14.879 747 HD1 HIS 93 HD1 HIS 93 -0.437 -7.388 16.235 748 HD2 HIS 93 HD2 HIS 93 3.025 -9.188 14.804 749 HE1 HIS 93 HE1 HIS 93 -0.381 -9.675 17.266 750 HE2 HIS 93 HE2 HIS 93 1.637 -10.783 16.270 751 H TRP 94 H TRP 94 -0.500 -5.069 12.401 752 HA TRP 94 HA TRP 94 0.691 -3.232 10.625 753 HB2 TRP 94 2HB TRP 94 -1.724 -2.907 12.470 754 HB3 TRP 94 3HB TRP 94 -1.262 -1.712 11.262 755 HD1 TRP 94 HD1 TRP 94 -3.389 -4.736 11.654 756 HE1 TRP 94 HE1 TRP 94 -4.273 -5.502 9.361 757 HE3 TRP 94 HE3 TRP 94 -0.372 -1.909 8.627 758 HZ2 TRP 94 HZ2 TRP 94 -3.762 -4.982 6.643 759 HZ3 TRP 94 HZ3 TRP 94 -0.644 -2.113 6.191 760 HH2 TRP 94 HH2 TRP 94 -2.296 -3.611 5.226 761 H ASN 95 H ASN 95 0.872 -3.471 14.061 762 HA ASN 95 HA ASN 95 1.292 -0.893 14.952 763 HB2 ASN 95 2HB ASN 95 1.020 -2.873 16.406 764 HB3 ASN 95 3HB ASN 95 2.595 -3.478 15.914 765 HD21 ASN 95 1HD2 ASN 95 1.829 -0.097 16.749 766 HD22 ASN 95 2HD2 ASN 95 2.825 -0.062 18.156 767 H SER 96 H SER 96 3.533 -3.005 13.260 768 HA SER 96 HA SER 96 5.760 -1.070 13.493 769 HB2 SER 96 2HB SER 96 6.190 -3.453 14.156 770 HB3 SER 96 3HB SER 96 5.808 -3.963 12.513 771 HG SER 96 HG SER 96 7.702 -1.970 12.643 772 H ILE 97 H ILE 97 3.356 -2.186 11.255 773 HA ILE 97 HA ILE 97 5.019 -1.685 8.867 774 HB ILE 97 HB ILE 97 2.235 -2.938 9.023 775 HG12 ILE 97 2HG1 ILE 97 4.936 -4.336 8.722 776 HG13 ILE 97 3HG1 ILE 97 3.962 -4.330 10.190 777 HG21 ILE 97 1HG2 ILE 97 4.224 -2.933 6.721 778 HG22 ILE 97 2HG2 ILE 97 2.786 -1.924 6.816 779 HG23 ILE 97 3HG2 ILE 97 2.620 -3.674 6.716 780 HD11 ILE 97 3HD1 ILE 97 3.691 -6.405 9.005 781 HD12 ILE 97 1HD1 ILE 97 3.181 -5.556 7.547 782 HD13 ILE 97 2HD1 ILE 97 2.176 -5.510 8.998 783 H LYS 98 H LYS 98 1.756 -0.830 10.139 784 HA LYS 98 HA LYS 98 0.837 0.730 8.068 785 HB2 LYS 98 2HB LYS 98 -0.607 -0.106 9.918 786 HB3 LYS 98 3HB LYS 98 0.081 1.109 10.994 787 HG2 LYS 98 2HG LYS 98 -0.773 2.892 9.461 788 HG3 LYS 98 3HG LYS 98 -1.511 1.642 8.479 789 HD2 LYS 98 2HD LYS 98 -3.379 2.101 9.702 790 HD3 LYS 98 3HD LYS 98 -2.638 1.049 10.905 791 HE2 LYS 98 2HE LYS 98 -2.288 4.065 10.844 792 HE3 LYS 98 3HE LYS 98 -3.510 3.228 11.800 793 HZ1 LYS 98 3HZ LYS 98 -1.762 2.086 12.983 794 HZ2 LYS 98 1HZ LYS 98 -1.570 3.755 13.115 795 HZ3 LYS 98 2HZ LYS 98 -0.578 2.872 12.072 796 HA PRO 99 HA PRO 99 2.517 4.868 10.331 797 HB2 PRO 99 2HB PRO 99 5.033 4.421 11.536 798 HB3 PRO 99 3HB PRO 99 3.497 4.571 12.412 799 HG2 PRO 99 2HG PRO 99 4.927 2.070 11.552 800 HG3 PRO 99 3HG PRO 99 4.142 2.437 13.108 801 HD2 PRO 99 2HD PRO 99 2.886 0.908 11.336 802 HD3 PRO 99 3HD PRO 99 1.970 2.145 12.228 803 H GLU 100 H GLU 100 4.750 2.361 9.200 804 HA GLU 100 HA GLU 100 6.506 4.103 7.799 805 HB2 GLU 100 2HB GLU 100 6.134 1.104 7.414 806 HB3 GLU 100 3HB GLU 100 7.546 2.056 6.964 807 HG2 GLU 100 2HG GLU 100 6.577 1.450 9.777 808 HG3 GLU 100 3HG GLU 100 8.012 0.802 8.993 809 H ILE 101 H ILE 101 3.684 2.147 6.859 810 HA ILE 101 HA ILE 101 3.750 2.493 4.069 811 HB ILE 101 HB ILE 101 1.324 2.189 5.902 812 HG12 ILE 101 2HG1 ILE 101 2.798 0.082 4.254 813 HG13 ILE 101 3HG1 ILE 101 2.964 0.298 5.996 814 HG21 ILE 101 1HG2 ILE 101 1.454 1.825 2.880 815 HG22 ILE 101 2HG2 ILE 101 0.623 3.131 3.728 816 HG23 ILE 101 3HG2 ILE 101 0.055 1.470 3.897 817 HD11 ILE 101 3HD1 ILE 101 1.484 -1.533 5.475 818 HD12 ILE 101 1HD1 ILE 101 0.438 -0.459 4.552 819 HD13 ILE 101 2HD1 ILE 101 0.611 -0.240 6.293 820 H ILE 102 H ILE 102 2.017 4.368 6.576 821 HA ILE 102 HA ILE 102 0.852 6.331 4.950 822 HB ILE 102 HB ILE 102 1.721 6.476 7.872 823 HG12 ILE 102 2HG1 ILE 102 -1.021 5.964 6.611 824 HG13 ILE 102 3HG1 ILE 102 0.010 4.737 7.340 825 HG21 ILE 102 1HG2 ILE 102 0.215 8.422 8.133 826 HG22 ILE 102 2HG2 ILE 102 -0.093 8.424 6.397 827 HG23 ILE 102 3HG2 ILE 102 1.525 8.776 7.002 828 HD11 ILE 102 3HD1 ILE 102 -0.216 5.889 9.509 829 HD12 ILE 102 1HD1 ILE 102 -1.751 5.327 8.849 830 HD13 ILE 102 2HD1 ILE 102 -1.329 7.037 8.756 831 H ASP 103 H ASP 103 4.059 6.203 6.450 832 HA ASP 103 HA ASP 103 4.986 8.812 5.825 833 HB2 ASP 103 2HB ASP 103 6.090 7.479 7.534 834 HB3 ASP 103 3HB ASP 103 6.445 6.192 6.390 835 H LEU 104 H LEU 104 5.278 5.696 4.101 836 HA LEU 104 HA LEU 104 6.787 6.589 1.889 837 HB2 LEU 104 2HB LEU 104 4.820 4.275 2.118 838 HB3 LEU 104 3HB LEU 104 5.933 4.493 0.775 839 HG LEU 104 HG LEU 104 6.783 4.043 3.664 840 HD11 LEU 104 1HD1 LEU 104 5.696 2.048 2.791 841 HD12 LEU 104 2HD1 LEU 104 7.425 1.782 2.996 842 HD13 LEU 104 3HD1 LEU 104 6.760 2.054 1.381 843 HD21 LEU 104 3HD2 LEU 104 8.454 5.307 2.461 844 HD22 LEU 104 1HD2 LEU 104 8.439 4.147 1.130 845 HD23 LEU 104 2HD2 LEU 104 9.034 3.667 2.721 846 H LEU 105 H LEU 105 3.270 6.348 2.405 847 HA LEU 105 HA LEU 105 2.448 7.226 -0.171 848 HB2 LEU 105 2HB LEU 105 1.056 6.866 2.487 849 HB3 LEU 105 3HB LEU 105 0.243 7.810 1.254 850 HG LEU 105 HG LEU 105 0.295 5.848 -0.287 851 HD11 LEU 105 1HD1 LEU 105 1.397 4.260 2.037 852 HD12 LEU 105 2HD1 LEU 105 2.264 4.672 0.558 853 HD13 LEU 105 3HD1 LEU 105 0.858 3.613 0.484 854 HD21 LEU 105 3HD2 LEU 105 -1.014 5.282 2.389 855 HD22 LEU 105 1HD2 LEU 105 -1.456 4.554 0.842 856 HD23 LEU 105 2HD2 LEU 105 -1.678 6.284 1.095 857 H THR 106 H THR 106 3.550 8.943 2.662 858 HA THR 106 HA THR 106 2.439 11.515 1.982 859 HB THR 106 HB THR 106 4.573 10.661 3.991 860 HG1 THR 106 HG1 THR 106 2.082 10.237 4.100 861 HG21 THR 106 3HG2 THR 106 4.959 13.025 3.421 862 HG22 THR 106 1HG2 THR 106 4.277 12.889 5.045 863 HG23 THR 106 2HG2 THR 106 3.254 13.382 3.697 864 H LYS 107 H LYS 107 5.674 9.933 1.763 865 HA LYS 107 HA LYS 107 7.007 12.267 0.811 866 HB2 LYS 107 2HB LYS 107 8.978 10.925 0.527 867 HB3 LYS 107 3HB LYS 107 8.183 10.410 2.004 868 HG2 LYS 107 2HG LYS 107 7.289 8.420 0.822 869 HG3 LYS 107 3HG LYS 107 8.109 8.941 -0.650 870 HD2 LYS 107 2HD LYS 107 9.532 7.296 0.271 871 HD3 LYS 107 3HD LYS 107 10.300 8.821 0.708 872 HE2 LYS 107 2HE LYS 107 8.540 7.152 2.541 873 HE3 LYS 107 3HE LYS 107 10.298 7.147 2.549 874 HZ1 LYS 107 3HZ LYS 107 9.423 8.516 4.308 875 HZ2 LYS 107 1HZ LYS 107 8.568 9.468 3.206 876 HZ3 LYS 107 2HZ LYS 107 10.257 9.475 3.199 877 H GLN 108 H GLN 108 5.631 9.409 -0.806 878 HA GLN 108 HA GLN 108 6.460 9.840 -3.435 879 HB2 GLN 108 2HB GLN 108 5.367 7.767 -3.082 880 HB3 GLN 108 3HB GLN 108 4.007 8.511 -2.242 881 HG2 GLN 108 2HG GLN 108 3.211 9.467 -4.389 882 HG3 GLN 108 3HG GLN 108 4.570 8.722 -5.222 883 HE21 GLN 108 1HE2 GLN 108 4.448 6.607 -5.783 884 HE22 GLN 108 2HE2 GLN 108 3.046 5.631 -5.536 885 H LEU 109 H LEU 109 3.423 10.838 -1.886 886 HA LEU 109 HA LEU 109 2.483 12.293 -4.146 887 HB2 LEU 109 2HB LEU 109 1.501 12.034 -1.283 888 HB3 LEU 109 3HB LEU 109 0.649 12.978 -2.490 889 HG LEU 109 HG LEU 109 1.155 9.975 -2.650 890 HD11 LEU 109 1HD1 LEU 109 -0.474 10.496 -0.913 891 HD12 LEU 109 2HD1 LEU 109 -1.269 9.724 -2.283 892 HD13 LEU 109 3HD1 LEU 109 -1.421 11.469 -2.043 893 HD21 LEU 109 3HD2 LEU 109 -0.370 10.009 -4.605 894 HD22 LEU 109 1HD2 LEU 109 1.099 10.942 -4.890 895 HD23 LEU 109 2HD2 LEU 109 -0.417 11.773 -4.534 896 H ALA 110 H ALA 110 4.721 13.117 -1.724 897 HA ALA 110 HA ALA 110 4.209 15.916 -1.474 898 HB1 ALA 110 3HB ALA 110 5.503 14.674 0.222 899 HB2 ALA 110 1HB ALA 110 6.418 16.045 -0.410 900 HB3 ALA 110 2HB ALA 110 6.796 14.404 -0.947 901 H TYR 111 H TYR 111 6.222 13.945 -3.663 902 HA TYR 111 HA TYR 111 6.937 16.389 -5.206 903 HB2 TYR 111 2HB TYR 111 8.797 14.973 -6.209 904 HB3 TYR 111 3HB TYR 111 8.970 15.347 -4.502 905 HD1 TYR 111 HD1 TYR 111 7.607 12.574 -6.701 906 HD2 TYR 111 HD2 TYR 111 9.613 13.593 -3.067 907 HE1 TYR 111 HE1 TYR 111 7.934 10.192 -6.220 908 HE2 TYR 111 HE2 TYR 111 9.937 11.202 -2.586 909 HH TYR 111 HH TYR 111 8.803 9.037 -3.202 910 H GLY 112 H GLY 112 5.084 13.544 -5.304 911 HA2 GLY 112 2HA GLY 112 4.709 13.690 -8.252 912 HA3 GLY 112 3HA GLY 112 4.672 12.183 -7.331 913 H GLU 113 H GLU 113 2.585 13.013 -8.954 914 HA GLU 113 HA GLU 113 0.427 13.871 -7.114 915 HB2 GLU 113 2HB GLU 113 0.334 13.572 -10.159 916 HB3 GLU 113 3HB GLU 113 -0.920 14.257 -9.137 917 HG2 GLU 113 2HG GLU 113 0.073 16.146 -10.090 918 HG3 GLU 113 3HG GLU 113 0.824 16.063 -8.502 919 H ASP 114 H ASP 114 1.739 11.122 -8.709 920 HA ASP 114 HA ASP 114 -0.818 9.612 -8.653 921 HB2 ASP 114 2HB ASP 114 1.583 9.339 -10.518 922 HB3 ASP 114 3HB ASP 114 0.188 8.270 -10.526 923 H VAL 115 H VAL 115 -0.687 7.350 -8.207 924 HA VAL 115 HA VAL 115 1.300 6.547 -6.249 925 HB VAL 115 HB VAL 115 -1.011 5.947 -5.785 926 HG11 VAL 115 1HG1 VAL 115 -1.031 4.316 -8.343 927 HG12 VAL 115 2HG1 VAL 115 -1.913 5.816 -8.054 928 HG13 VAL 115 3HG1 VAL 115 -2.324 4.363 -7.140 929 HG21 VAL 115 3HG2 VAL 115 0.565 3.424 -6.426 930 HG22 VAL 115 1HG2 VAL 115 -0.785 3.545 -5.292 931 HG23 VAL 115 2HG2 VAL 115 0.724 4.396 -4.965 932 H ILE 116 H ILE 116 0.345 5.557 -9.525 933 HA ILE 116 HA ILE 116 2.737 3.805 -9.790 934 HB ILE 116 HB ILE 116 0.093 3.696 -11.341 935 HG12 ILE 116 2HG1 ILE 116 1.167 1.763 -9.234 936 HG13 ILE 116 3HG1 ILE 116 -0.133 2.920 -8.978 937 HG21 ILE 116 1HG2 ILE 116 2.479 1.807 -11.517 938 HG22 ILE 116 2HG2 ILE 116 1.964 2.948 -12.760 939 HG23 ILE 116 3HG2 ILE 116 0.929 1.586 -12.336 940 HD11 ILE 116 3HD1 ILE 116 -1.015 0.704 -9.302 941 HD12 ILE 116 1HD1 ILE 116 -0.202 0.561 -10.860 942 HD13 ILE 116 2HD1 ILE 116 -1.498 1.741 -10.641 943 H SER 117 H SER 117 1.018 6.584 -11.057 944 HA SER 117 HA SER 117 1.147 7.921 -12.867 945 HB2 SER 117 2HB SER 117 3.970 6.815 -13.176 946 HB3 SER 117 3HB SER 117 3.331 8.168 -14.110 947 HG SER 117 HG SER 117 3.582 9.437 -12.443 948 H LYS 118 H LYS 118 -0.257 5.730 -13.050 949 HA LYS 118 HA LYS 118 0.233 4.127 -15.399 950 HB2 LYS 118 2HB LYS 118 -0.902 3.397 -13.195 951 HB3 LYS 118 3HB LYS 118 -2.297 4.339 -13.681 952 HG2 LYS 118 2HG LYS 118 -1.226 1.996 -15.291 953 HG3 LYS 118 3HG LYS 118 -2.434 1.828 -14.020 954 HD2 LYS 118 2HD LYS 118 -3.865 3.489 -15.347 955 HD3 LYS 118 3HD LYS 118 -2.705 3.296 -16.665 956 HE2 LYS 118 2HE LYS 118 -4.427 1.124 -15.425 957 HE3 LYS 118 3HE LYS 118 -4.613 1.833 -17.028 958 HZ1 LYS 118 3HZ LYS 118 -2.365 0.140 -16.088 959 HZ2 LYS 118 1HZ LYS 118 -2.415 0.909 -17.590 960 HZ3 LYS 118 2HZ LYS 118 -3.554 -0.276 -17.214 961 H GLU 119 H GLU 119 0.423 5.776 -16.960 962 HA GLU 119 HA GLU 119 -0.091 7.243 -18.566 963 HB2 GLU 119 2HB GLU 119 -2.837 5.968 -18.325 964 HB3 GLU 119 3HB GLU 119 -2.381 7.065 -19.627 965 HG2 GLU 119 2HG GLU 119 -0.549 5.456 -20.248 966 HG3 GLU 119 3HG GLU 119 -1.183 4.336 -19.041
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