NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
16977 | 2b1w | 6843 | cing | 1-original | 11 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 12 HT1 GLY 12 -19.358 4.597 5.848 2 2H GLY 12 HT2 GLY 12 -20.879 4.905 6.537 3 3H GLY 12 HT3 GLY 12 -19.776 6.176 6.311 4 1HA GLY 12 HA1 GLY 12 -21.121 4.617 4.179 5 2HA GLY 12 HA2 GLY 12 -21.481 6.276 4.632 6 H ALA 13 HN ALA 13 -20.797 5.490 2.047 7 HA ALA 13 HA ALA 13 -19.465 6.012 0.290 8 1HB ALA 13 HB1 ALA 13 -18.317 8.071 2.171 9 2HB ALA 13 HB2 ALA 13 -19.731 8.287 1.139 10 3HB ALA 13 HB3 ALA 13 -18.140 8.054 0.415 11 H MET 14 HN MET 14 -18.632 3.969 2.170 12 HA MET 14 HA MET 14 -16.941 2.480 2.411 13 1HB MET 14 HB2 MET 14 -16.716 3.045 -0.082 14 2HB MET 14 HB1 MET 14 -15.351 4.046 0.387 15 1HG MET 14 HG2 MET 14 -14.607 1.881 -0.388 16 2HG MET 14 HG1 MET 14 -14.232 2.092 1.322 17 1HE MET 14 HE1 MET 14 -13.770 -0.533 1.420 18 2HE MET 14 HE2 MET 14 -14.248 -0.741 -0.265 19 3HE MET 14 HE3 MET 14 -14.962 -1.758 0.987 20 H GLU 15 HN GLU 15 -16.974 5.229 3.730 21 HA GLU 15 HA GLU 15 -15.760 6.534 5.120 22 1HB GLU 15 HB2 GLU 15 -14.570 3.838 5.764 23 2HB GLU 15 HB1 GLU 15 -14.311 5.283 6.730 24 1HG GLU 15 HG2 GLU 15 -16.005 4.185 7.849 25 2HG GLU 15 HG1 GLU 15 -16.868 5.386 6.894 26 H SER 16 HN SER 16 -12.957 4.519 5.058 27 HA SER 16 HA SER 16 -11.550 6.457 3.356 28 1HB SER 16 HB2 SER 16 -10.432 5.292 5.920 29 2HB SER 16 HB1 SER 16 -9.668 6.491 4.880 30 HG SER 16 HG SER 16 -10.755 7.304 6.818 31 H HIS 17 HN HIS 17 -12.048 4.569 1.845 32 HA HIS 17 HA HIS 17 -9.819 2.655 2.030 33 1HB HIS 17 HB2 HIS 17 -12.692 2.062 1.336 34 2HB HIS 17 HB1 HIS 17 -11.381 0.997 0.849 35 HD1 HIS 17 HD1 HIS 17 -11.335 -0.951 2.343 36 HD2 HIS 17 HD2 HIS 17 -12.288 2.524 4.416 37 HE1 HIS 17 HE1 HIS 17 -11.566 -1.638 4.750 38 HE2 HIS 17 HE2 HIS 17 -12.336 0.440 5.948 39 HA PRO 18 HA PRO 18 -10.040 4.596 -2.205 40 1HB PRO 18 HB2 PRO 18 -7.977 6.461 -1.804 41 2HB PRO 18 HB1 PRO 18 -9.706 6.795 -1.835 42 1HG PRO 18 HG2 PRO 18 -8.003 7.026 0.388 43 2HG PRO 18 HG1 PRO 18 -9.773 7.067 0.412 44 1HD PRO 18 HD2 PRO 18 -7.918 4.814 1.021 45 2HD PRO 18 HD1 PRO 18 -9.502 5.200 1.729 46 H HIS 19 HN HIS 19 -6.764 5.041 -0.862 47 HA HIS 19 HA HIS 19 -5.607 3.914 -3.229 48 1HB HIS 19 HB2 HIS 19 -4.228 4.568 -0.618 49 2HB HIS 19 HB1 HIS 19 -3.450 4.292 -2.169 50 HD1 HIS 19 HD1 HIS 19 -4.989 6.908 -0.082 51 HD2 HIS 19 HD2 HIS 19 -3.787 6.432 -4.037 52 HE1 HIS 19 HE1 HIS 19 -4.821 9.232 -1.030 53 HE2 HIS 19 HE2 HIS 19 -3.823 8.909 -3.312 54 H ILE 20 HN ILE 20 -6.114 2.853 0.086 55 HA ILE 20 HA ILE 20 -4.432 0.637 0.111 56 HB ILE 20 HB ILE 20 -5.970 -0.315 1.844 57 1HG1 ILE 20 HG12 ILE 20 -7.532 2.222 1.314 58 2HG1 ILE 20 HG11 ILE 20 -8.098 0.575 1.049 59 1HG2 ILE 20 HG21 ILE 20 -5.519 1.460 3.487 60 2HG2 ILE 20 HG22 ILE 20 -5.118 2.555 2.163 61 3HG2 ILE 20 HG23 ILE 20 -4.129 1.125 2.454 62 1HD1 ILE 20 HD11 ILE 20 -7.357 1.753 3.716 63 2HD1 ILE 20 HD12 ILE 20 -8.009 0.138 3.429 64 3HD1 ILE 20 HD13 ILE 20 -9.000 1.561 3.101 65 H GLN 21 HN GLN 21 -7.758 0.904 -1.009 66 HA GLN 21 HA GLN 21 -8.056 -1.846 -1.585 67 1HB GLN 21 HB2 GLN 21 -9.626 0.553 -1.838 68 2HB GLN 21 HB1 GLN 21 -9.754 -0.414 -3.298 69 1HG GLN 21 HG2 GLN 21 -11.526 -0.956 -1.746 70 2HG GLN 21 HG1 GLN 21 -10.465 -2.334 -1.991 71 1HE2 GLN 21 HE21 GLN 21 -8.386 -1.483 -0.167 72 2HE2 GLN 21 HE22 GLN 21 -9.031 -1.626 1.433 73 H LEU 22 HN LEU 22 -7.137 0.968 -3.597 74 HA LEU 22 HA LEU 22 -6.872 -0.339 -6.020 75 1HB LEU 22 HB2 LEU 22 -6.618 1.913 -6.267 76 2HB LEU 22 HB1 LEU 22 -5.695 2.084 -4.792 77 HG LEU 22 HG LEU 22 -3.759 0.987 -6.052 78 1HD1 LEU 22 HD11 LEU 22 -5.035 0.064 -7.898 79 2HD1 LEU 22 HD12 LEU 22 -3.813 1.193 -8.485 80 3HD1 LEU 22 HD13 LEU 22 -5.505 1.687 -8.402 81 1HD2 LEU 22 HD21 LEU 22 -3.837 3.366 -5.504 82 2HD2 LEU 22 HD22 LEU 22 -4.739 3.678 -6.988 83 3HD2 LEU 22 HD23 LEU 22 -3.080 3.084 -7.073 84 H LEU 23 HN LEU 23 -4.394 0.140 -3.500 85 HA LEU 23 HA LEU 23 -2.290 -0.973 -4.927 86 1HB LEU 23 HB2 LEU 23 -2.795 -0.390 -2.064 87 2HB LEU 23 HB1 LEU 23 -1.445 -1.441 -2.451 88 HG LEU 23 HG LEU 23 -0.634 0.376 -4.004 89 1HD1 LEU 23 HD11 LEU 23 -2.685 1.634 -4.226 90 2HD1 LEU 23 HD12 LEU 23 -1.394 2.647 -3.579 91 3HD1 LEU 23 HD13 LEU 23 -2.650 2.025 -2.507 92 1HD2 LEU 23 HD21 LEU 23 -0.780 0.940 -1.050 93 2HD2 LEU 23 HD22 LEU 23 0.352 1.695 -2.172 94 3HD2 LEU 23 HD23 LEU 23 0.430 -0.041 -1.878 95 H LYS 24 HN LYS 24 -4.550 -2.584 -2.688 96 HA LYS 24 HA LYS 24 -3.127 -5.042 -2.805 97 1HB LYS 24 HB2 LYS 24 -4.860 -6.059 -1.590 98 2HB LYS 24 HB1 LYS 24 -4.700 -4.429 -0.957 99 1HG LYS 24 HG2 LYS 24 -6.812 -3.978 -1.389 100 2HG LYS 24 HG1 LYS 24 -6.665 -4.525 -3.062 101 1HD LYS 24 HD2 LYS 24 -6.897 -6.488 -0.806 102 2HD LYS 24 HD1 LYS 24 -8.332 -5.725 -1.480 103 1HE LYS 24 HE2 LYS 24 -8.162 -7.741 -2.638 104 2HE LYS 24 HE1 LYS 24 -7.486 -6.552 -3.744 105 1HZ LYS 24 HZ1 LYS 24 -6.195 -8.638 -3.598 106 2HZ LYS 24 HZ2 LYS 24 -5.845 -8.296 -1.972 107 3HZ LYS 24 HZ3 LYS 24 -5.286 -7.270 -3.196 108 H SER 25 HN SER 25 -5.708 -3.690 -4.784 109 HA SER 25 HA SER 25 -6.321 -6.179 -6.028 110 1HB SER 25 HB2 SER 25 -6.865 -3.357 -6.978 111 2HB SER 25 HB1 SER 25 -7.590 -4.821 -7.644 112 HG SER 25 HG SER 25 -8.670 -5.159 -5.749 113 H ASN 26 HN ASN 26 -4.260 -3.433 -6.984 114 HA ASN 26 HA ASN 26 -3.202 -5.142 -9.121 115 1HB ASN 26 HB2 ASN 26 -2.325 -3.227 -10.200 116 2HB ASN 26 HB1 ASN 26 -3.943 -2.799 -9.685 117 1HD2 ASN 26 HD21 ASN 26 -2.980 -2.365 -6.865 118 2HD2 ASN 26 HD22 ASN 26 -2.181 -0.838 -6.927 119 H ARG 27 HN ARG 27 -2.614 -5.943 -6.620 120 HA ARG 27 HA ARG 27 -0.242 -5.032 -5.472 121 1HB ARG 27 HB2 ARG 27 -1.717 -7.624 -5.435 122 2HB ARG 27 HB1 ARG 27 -0.083 -7.584 -4.782 123 1HG ARG 27 HG2 ARG 27 -2.278 -5.733 -3.894 124 2HG ARG 27 HG1 ARG 27 -1.937 -7.283 -3.128 125 1HD ARG 27 HD2 ARG 27 -0.887 -5.509 -1.886 126 2HD ARG 27 HD1 ARG 27 0.342 -6.519 -2.638 127 HE ARG 27 HE ARG 27 -0.470 -3.979 -3.882 128 1HH1 ARG 27 HH11 ARG 27 1.928 -6.066 -2.458 129 2HH1 ARG 27 HH12 ARG 27 3.278 -5.054 -2.859 130 1HH2 ARG 27 HH21 ARG 27 1.290 -2.593 -4.415 131 2HH2 ARG 27 HH22 ARG 27 2.901 -3.049 -3.971 132 H GLU 28 HN GLU 28 -0.756 -7.488 -7.955 133 HA GLU 28 HA GLU 28 1.902 -8.399 -8.128 134 1HB GLU 28 HB2 GLU 28 -0.175 -8.341 -10.323 135 2HB GLU 28 HB1 GLU 28 1.238 -9.382 -10.253 136 1HG GLU 28 HG2 GLU 28 0.336 -10.590 -8.393 137 2HG GLU 28 HG1 GLU 28 -1.013 -9.466 -8.254 138 H LEU 29 HN LEU 29 0.184 -5.772 -9.617 139 HA LEU 29 HA LEU 29 2.077 -5.151 -11.626 140 1HB LEU 29 HB2 LEU 29 -0.437 -4.513 -11.328 141 2HB LEU 29 HB1 LEU 29 0.190 -3.158 -10.415 142 HG LEU 29 HG LEU 29 1.148 -3.667 -13.212 143 1HD1 LEU 29 HD11 LEU 29 -1.349 -2.180 -12.404 144 2HD1 LEU 29 HD12 LEU 29 -1.280 -3.669 -13.346 145 3HD1 LEU 29 HD13 LEU 29 -0.629 -2.173 -14.014 146 1HD2 LEU 29 HD21 LEU 29 0.806 -1.169 -11.559 147 2HD2 LEU 29 HD22 LEU 29 1.475 -1.251 -13.189 148 3HD2 LEU 29 HD23 LEU 29 2.326 -2.016 -11.846 149 H LEU 30 HN LEU 30 1.394 -3.672 -8.447 150 HA LEU 30 HA LEU 30 3.630 -1.912 -8.606 151 1HB LEU 30 HB2 LEU 30 1.689 -2.616 -6.471 152 2HB LEU 30 HB1 LEU 30 3.191 -1.831 -6.020 153 HG LEU 30 HG LEU 30 2.663 0.115 -7.334 154 1HD1 LEU 30 HD11 LEU 30 1.603 -0.937 -9.235 155 2HD1 LEU 30 HD12 LEU 30 0.554 0.312 -8.562 156 3HD1 LEU 30 HD13 LEU 30 0.216 -1.389 -8.242 157 1HD2 LEU 30 HD21 LEU 30 0.264 -0.792 -5.738 158 2HD2 LEU 30 HD22 LEU 30 0.633 0.871 -6.195 159 3HD2 LEU 30 HD23 LEU 30 1.703 0.002 -5.097 160 H VAL 31 HN VAL 31 3.211 -5.134 -7.173 161 HA VAL 31 HA VAL 31 5.391 -5.006 -5.412 162 HB VAL 31 HB VAL 31 3.650 -6.777 -5.324 163 1HG1 VAL 31 HG11 VAL 31 5.156 -7.960 -7.646 164 2HG1 VAL 31 HG12 VAL 31 3.484 -7.396 -7.644 165 3HG1 VAL 31 HG13 VAL 31 3.940 -8.806 -6.688 166 1HG2 VAL 31 HG21 VAL 31 6.496 -7.762 -5.416 167 2HG2 VAL 31 HG22 VAL 31 5.153 -8.565 -4.601 168 3HG2 VAL 31 HG23 VAL 31 5.702 -6.983 -4.046 169 H THR 32 HN THR 32 5.213 -6.027 -8.786 170 HA THR 32 HA THR 32 7.902 -6.898 -8.981 171 HB THR 32 HB THR 32 6.042 -7.629 -10.498 172 HG1 THR 32 HG1 THR 32 8.428 -7.707 -10.972 173 1HG2 THR 32 HG21 THR 32 5.051 -5.431 -10.942 174 2HG2 THR 32 HG22 THR 32 5.505 -6.246 -12.440 175 3HG2 THR 32 HG23 THR 32 6.513 -4.948 -11.801 176 H HIS 33 HN HIS 33 6.420 -3.818 -9.113 177 HA HIS 33 HA HIS 33 7.735 -2.358 -10.980 178 1HB HIS 33 HB2 HIS 33 6.497 -1.712 -8.368 179 2HB HIS 33 HB1 HIS 33 7.484 -0.447 -9.111 180 HD1 HIS 33 HD1 HIS 33 4.513 0.061 -8.847 181 HD2 HIS 33 HD2 HIS 33 6.227 -1.735 -12.177 182 HE1 HIS 33 HE1 HIS 33 2.893 0.446 -10.732 183 HE2 HIS 33 HE2 HIS 33 4.025 -0.529 -12.768 184 H ILE 34 HN ILE 34 9.026 -2.973 -7.692 185 HA ILE 34 HA ILE 34 11.674 -2.826 -8.646 186 HB ILE 34 HB ILE 34 11.350 -0.461 -8.838 187 1HG1 ILE 34 HG12 ILE 34 13.078 0.394 -7.240 188 2HG1 ILE 34 HG11 ILE 34 13.015 -1.161 -6.416 189 1HG2 ILE 34 HG21 ILE 34 10.480 -0.470 -5.960 190 2HG2 ILE 34 HG22 ILE 34 9.483 -0.112 -7.372 191 3HG2 ILE 34 HG23 ILE 34 10.797 0.974 -6.922 192 1HD1 ILE 34 HD11 ILE 34 13.807 -0.718 -9.285 193 2HD1 ILE 34 HD12 ILE 34 13.755 -2.272 -8.453 194 3HD1 ILE 34 HD13 ILE 34 14.900 -1.034 -7.938 195 H ARG 35 HN ARG 35 10.209 -1.747 -5.565 196 HA ARG 35 HA ARG 35 11.703 -3.920 -4.250 197 1HB ARG 35 HB2 ARG 35 11.219 -1.132 -3.176 198 2HB ARG 35 HB1 ARG 35 12.030 -2.432 -2.316 199 1HG ARG 35 HG2 ARG 35 13.023 -1.247 -4.897 200 2HG ARG 35 HG1 ARG 35 13.549 -0.726 -3.296 201 1HD ARG 35 HD2 ARG 35 14.346 -3.001 -2.833 202 2HD ARG 35 HD1 ARG 35 13.837 -3.501 -4.446 203 HE ARG 35 HE ARG 35 15.530 -2.033 -5.355 204 1HH1 ARG 35 HH11 ARG 35 15.743 -2.692 -1.925 205 2HH1 ARG 35 HH12 ARG 35 17.426 -2.300 -1.824 206 1HH2 ARG 35 HH21 ARG 35 17.746 -1.494 -5.227 207 2HH2 ARG 35 HH22 ARG 35 18.567 -1.591 -3.691 208 H ASN 36 HN ASN 36 9.088 -1.589 -3.845 209 HA ASN 36 HA ASN 36 6.979 -1.724 -3.074 210 1HB ASN 36 HB2 ASN 36 6.703 -3.733 -4.420 211 2HB ASN 36 HB1 ASN 36 7.401 -4.714 -3.135 212 1HD2 ASN 36 HD21 ASN 36 5.210 -2.043 -2.534 213 2HD2 ASN 36 HD22 ASN 36 3.902 -3.011 -1.955 214 H THR 37 HN THR 37 9.116 -4.000 -1.379 215 HA THR 37 HA THR 37 7.830 -4.238 1.032 216 HB THR 37 HB THR 37 9.790 -5.552 0.440 217 HG1 THR 37 HG1 THR 37 9.965 -5.811 2.521 218 1HG2 THR 37 HG21 THR 37 12.051 -4.629 0.609 219 2HG2 THR 37 HG22 THR 37 11.382 -3.027 0.919 220 3HG2 THR 37 HG23 THR 37 11.119 -3.806 -0.642 221 H GLN 38 HN GLN 38 9.433 -1.403 -0.148 222 HA GLN 38 HA GLN 38 10.005 -0.072 2.220 223 1HB GLN 38 HB2 GLN 38 9.123 0.962 -0.467 224 2HB GLN 38 HB1 GLN 38 9.532 2.036 0.865 225 1HG GLN 38 HG2 GLN 38 11.368 -0.012 -0.363 226 2HG GLN 38 HG1 GLN 38 11.407 1.724 -0.668 227 1HE2 GLN 38 HE21 GLN 38 13.474 -0.027 0.444 228 2HE2 GLN 38 HE22 GLN 38 13.865 0.633 1.994 229 H CYS 39 HN CYS 39 6.923 -0.740 0.742 230 HA CYS 39 HA CYS 39 5.354 1.226 1.968 231 1HB CYS 39 HB2 CYS 39 3.468 -0.361 1.602 232 2HB CYS 39 HB1 CYS 39 4.463 -0.125 0.171 233 HG CYS 39 HG CYS 39 4.241 -2.869 2.179 234 H LEU 40 HN LEU 40 6.271 -2.005 3.106 235 HA LEU 40 HA LEU 40 4.605 -1.786 5.397 236 1HB LEU 40 HB2 LEU 40 5.913 -3.837 6.164 237 2HB LEU 40 HB1 LEU 40 4.861 -3.949 4.763 238 HG LEU 40 HG LEU 40 7.140 -3.427 3.474 239 1HD1 LEU 40 HD11 LEU 40 8.033 -4.801 6.020 240 2HD1 LEU 40 HD12 LEU 40 8.483 -3.178 5.494 241 3HD1 LEU 40 HD13 LEU 40 9.012 -4.582 4.570 242 1HD2 LEU 40 HD21 LEU 40 6.373 -6.138 4.577 243 2HD2 LEU 40 HD22 LEU 40 7.420 -5.846 3.188 244 3HD2 LEU 40 HD23 LEU 40 5.720 -5.378 3.125 245 H VAL 41 HN VAL 41 8.008 -1.099 4.788 246 HA VAL 41 HA VAL 41 8.687 -0.916 7.535 247 HB VAL 41 HB VAL 41 10.677 0.349 6.853 248 1HG1 VAL 41 HG11 VAL 41 11.693 -1.469 5.519 249 2HG1 VAL 41 HG12 VAL 41 10.086 -2.145 5.259 250 3HG1 VAL 41 HG13 VAL 41 10.757 -2.067 6.889 251 1HG2 VAL 41 HG21 VAL 41 9.351 0.251 4.162 252 2HG2 VAL 41 HG22 VAL 41 11.098 0.440 4.341 253 3HG2 VAL 41 HG23 VAL 41 10.007 1.645 5.025 254 H ASP 42 HN ASP 42 7.626 1.607 5.217 255 HA ASP 42 HA ASP 42 7.763 3.711 7.131 256 1HB ASP 42 HB2 ASP 42 6.276 4.969 5.614 257 2HB ASP 42 HB1 ASP 42 7.626 4.242 4.753 258 H ASN 43 HN ASN 43 5.434 1.245 6.449 259 HA ASN 43 HA ASN 43 3.300 2.384 7.959 260 1HB ASN 43 HB2 ASN 43 2.293 0.834 6.662 261 2HB ASN 43 HB1 ASN 43 3.789 -0.079 6.432 262 1HD2 ASN 43 HD21 ASN 43 4.284 -1.726 7.785 263 2HD2 ASN 43 HD22 ASN 43 3.144 -2.428 8.878 264 H LEU 44 HN LEU 44 5.966 0.220 8.620 265 HA LEU 44 HA LEU 44 4.962 -0.494 11.220 266 1HB LEU 44 HB2 LEU 44 6.907 -1.804 11.507 267 2HB LEU 44 HB1 LEU 44 6.353 -2.051 9.873 268 HG LEU 44 HG LEU 44 8.179 -0.270 9.287 269 1HD1 LEU 44 HD11 LEU 44 9.182 -1.337 11.922 270 2HD1 LEU 44 HD12 LEU 44 8.761 0.338 11.563 271 3HD1 LEU 44 HD13 LEU 44 10.136 -0.417 10.758 272 1HD2 LEU 44 HD21 LEU 44 8.158 -2.596 8.549 273 2HD2 LEU 44 HD22 LEU 44 8.867 -3.093 10.086 274 3HD2 LEU 44 HD23 LEU 44 9.787 -2.074 8.978 275 H LEU 45 HN LEU 45 7.209 1.739 9.811 276 HA LEU 45 HA LEU 45 8.180 2.985 12.102 277 1HB LEU 45 HB2 LEU 45 9.162 3.653 10.116 278 2HB LEU 45 HB1 LEU 45 7.643 3.740 9.265 279 HG LEU 45 HG LEU 45 8.944 5.895 9.602 280 1HD1 LEU 45 HD11 LEU 45 6.095 5.386 9.737 281 2HD1 LEU 45 HD12 LEU 45 6.997 6.658 8.888 282 3HD1 LEU 45 HD13 LEU 45 6.539 6.886 10.574 283 1HD2 LEU 45 HD21 LEU 45 7.856 5.637 12.399 284 2HD2 LEU 45 HD22 LEU 45 8.589 7.086 11.711 285 3HD2 LEU 45 HD23 LEU 45 9.556 5.627 11.929 286 H LYS 46 HN LYS 46 5.186 3.584 10.280 287 HA LYS 46 HA LYS 46 4.398 5.710 12.005 288 1HB LYS 46 HB2 LYS 46 3.878 5.471 9.545 289 2HB LYS 46 HB1 LYS 46 2.665 4.284 10.008 290 1HG LYS 46 HG2 LYS 46 1.740 6.538 9.652 291 2HG LYS 46 HG1 LYS 46 1.454 5.910 11.277 292 1HD LYS 46 HD2 LYS 46 2.114 8.239 11.397 293 2HD LYS 46 HD1 LYS 46 3.375 7.219 12.094 294 1HE LYS 46 HE2 LYS 46 4.646 7.378 10.012 295 2HE LYS 46 HE1 LYS 46 3.389 8.400 9.318 296 1HZ LYS 46 HZ1 LYS 46 5.358 9.604 10.240 297 2HZ LYS 46 HZ2 LYS 46 4.867 9.109 11.787 298 3HZ LYS 46 HZ3 LYS 46 3.862 10.109 10.859 299 H ASN 47 HN ASN 47 3.490 2.299 11.765 300 HA ASN 47 HA ASN 47 1.384 2.743 13.761 301 1HB ASN 47 HB2 ASN 47 1.945 0.459 11.880 302 2HB ASN 47 HB1 ASN 47 0.718 0.381 13.139 303 1HD2 ASN 47 HD21 ASN 47 0.589 0.349 10.148 304 2HD2 ASN 47 HD22 ASN 47 -0.552 1.585 9.757 305 H ASP 48 HN ASP 48 4.517 1.491 13.484 306 HA ASP 48 HA ASP 48 5.989 0.705 14.990 307 1HB ASP 48 HB2 ASP 48 3.877 1.680 16.894 308 2HB ASP 48 HB1 ASP 48 5.401 0.995 17.444 309 H TYR 49 HN TYR 49 3.860 -1.258 13.976 310 HA TYR 49 HA TYR 49 5.060 -3.388 15.390 311 1HB TYR 49 HB2 TYR 49 3.236 -4.437 16.504 312 2HB TYR 49 HB1 TYR 49 3.381 -2.790 17.099 313 HD1 TYR 49 HD1 TYR 49 1.667 -1.107 16.506 314 HD2 TYR 49 HD2 TYR 49 1.271 -5.181 15.354 315 HE1 TYR 49 HE1 TYR 49 -0.709 -0.726 16.003 316 HE2 TYR 49 HE2 TYR 49 -1.108 -4.815 14.851 317 HH TYR 49 HH TYR 49 -2.898 -3.281 15.432 318 H PHE 50 HN PHE 50 3.006 -2.291 12.875 319 HA PHE 50 HA PHE 50 2.526 -4.889 11.715 320 1HB PHE 50 HB2 PHE 50 2.426 -2.084 10.575 321 2HB PHE 50 HB1 PHE 50 2.035 -3.528 9.644 322 HD1 PHE 50 HD1 PHE 50 0.849 -1.069 11.938 323 HD2 PHE 50 HD2 PHE 50 0.120 -4.969 10.412 324 HE1 PHE 50 HE1 PHE 50 -1.478 -0.932 12.720 325 HE2 PHE 50 HE2 PHE 50 -2.206 -4.840 11.194 326 HZ PHE 50 HZ PHE 50 -3.010 -2.820 12.346 327 H SER 51 HN SER 51 5.103 -4.783 12.503 328 HA SER 51 HA SER 51 6.861 -3.994 10.373 329 1HB SER 51 HB2 SER 51 8.607 -5.017 11.886 330 2HB SER 51 HB1 SER 51 7.677 -3.702 12.604 331 HG SER 51 HG SER 51 7.927 -5.587 13.957 332 H ALA 52 HN ALA 52 8.698 -5.844 10.073 333 HA ALA 52 HA ALA 52 7.646 -7.606 8.212 334 1HB ALA 52 HB1 ALA 52 10.197 -7.969 9.780 335 2HB ALA 52 HB2 ALA 52 10.019 -7.001 8.317 336 3HB ALA 52 HB3 ALA 52 9.794 -8.749 8.250 337 H GLU 53 HN GLU 53 8.050 -8.058 11.678 338 HA GLU 53 HA GLU 53 7.662 -10.865 11.722 339 1HB GLU 53 HB2 GLU 53 6.998 -8.859 13.884 340 2HB GLU 53 HB1 GLU 53 7.248 -10.587 14.100 341 1HG GLU 53 HG2 GLU 53 9.581 -10.293 13.326 342 2HG GLU 53 HG1 GLU 53 9.301 -8.552 13.272 343 H ASP 54 HN ASP 54 5.394 -8.162 12.267 344 HA ASP 54 HA ASP 54 3.068 -9.738 12.521 345 1HB ASP 54 HB2 ASP 54 2.915 -7.472 13.234 346 2HB ASP 54 HB1 ASP 54 3.514 -6.868 11.694 347 H ALA 55 HN ALA 55 4.571 -8.128 9.802 348 HA ALA 55 HA ALA 55 2.778 -8.768 7.800 349 1HB ALA 55 HB1 ALA 55 4.583 -7.156 7.499 350 2HB ALA 55 HB2 ALA 55 4.627 -8.384 6.235 351 3HB ALA 55 HB3 ALA 55 5.773 -8.456 7.572 352 H GLU 56 HN GLU 56 5.626 -10.619 8.883 353 HA GLU 56 HA GLU 56 5.445 -12.608 6.900 354 1HB GLU 56 HB2 GLU 56 7.457 -12.124 8.288 355 2HB GLU 56 HB1 GLU 56 6.649 -12.885 9.653 356 1HG GLU 56 HG2 GLU 56 6.474 -14.963 8.271 357 2HG GLU 56 HG1 GLU 56 7.505 -14.174 7.078 358 H ILE 57 HN ILE 57 4.099 -12.446 10.176 359 HA ILE 57 HA ILE 57 3.323 -15.136 10.369 360 HB ILE 57 HB ILE 57 2.044 -12.721 11.656 361 1HG1 ILE 57 HG12 ILE 57 4.275 -12.777 12.405 362 2HG1 ILE 57 HG11 ILE 57 3.362 -13.578 13.676 363 1HG2 ILE 57 HG21 ILE 57 1.630 -15.649 12.068 364 2HG2 ILE 57 HG22 ILE 57 0.436 -14.367 11.883 365 3HG2 ILE 57 HG23 ILE 57 1.358 -14.504 13.381 366 1HD1 ILE 57 HD11 ILE 57 5.105 -14.838 11.587 367 2HD1 ILE 57 HD12 ILE 57 4.027 -15.758 12.640 368 3HD1 ILE 57 HD13 ILE 57 5.346 -14.814 13.336 369 H VAL 58 HN VAL 58 1.411 -12.298 9.389 370 HA VAL 58 HA VAL 58 -0.875 -13.866 8.764 371 HB VAL 58 HB VAL 58 -0.273 -11.056 7.831 372 1HG1 VAL 58 HG11 VAL 58 -2.714 -10.851 7.677 373 2HG1 VAL 58 HG12 VAL 58 -2.878 -12.552 8.115 374 3HG1 VAL 58 HG13 VAL 58 -2.093 -12.102 6.600 375 1HG2 VAL 58 HG21 VAL 58 -0.115 -11.224 10.262 376 2HG2 VAL 58 HG22 VAL 58 -1.702 -11.992 10.318 377 3HG2 VAL 58 HG23 VAL 58 -1.550 -10.319 9.780 378 H CYS 59 HN CYS 59 1.861 -12.678 6.948 379 HA CYS 59 HA CYS 59 1.030 -12.919 4.314 380 1HB CYS 59 HB2 CYS 59 3.107 -11.905 4.679 381 2HB CYS 59 HB1 CYS 59 3.692 -13.225 5.682 382 HG CYS 59 HG CYS 59 4.798 -14.635 3.809 383 H ALA 60 HN ALA 60 1.749 -15.436 6.589 384 HA ALA 60 HA ALA 60 2.416 -17.579 4.995 385 1HB ALA 60 HB1 ALA 60 0.662 -17.561 7.447 386 2HB ALA 60 HB2 ALA 60 2.418 -17.722 7.402 387 3HB ALA 60 HB3 ALA 60 1.399 -18.997 6.735 388 H CYS 61 HN CYS 61 -0.678 -15.954 5.162 389 HA CYS 61 HA CYS 61 -1.825 -18.126 3.552 390 1HB CYS 61 HB2 CYS 61 -3.269 -16.008 5.147 391 2HB CYS 61 HB1 CYS 61 -4.049 -17.236 4.156 392 HG CYS 61 HG CYS 61 -2.853 -19.354 5.709 393 HA PRO 62 HA PRO 62 -3.015 -14.493 0.775 394 1HB PRO 62 HB2 PRO 62 -2.768 -11.918 2.002 395 2HB PRO 62 HB1 PRO 62 -4.245 -12.781 1.583 396 1HG PRO 62 HG2 PRO 62 -3.448 -12.240 4.157 397 2HG PRO 62 HG1 PRO 62 -4.522 -13.578 3.709 398 1HD PRO 62 HD2 PRO 62 -1.571 -13.614 4.243 399 2HD PRO 62 HD1 PRO 62 -2.825 -14.759 4.770 400 H THR 63 HN THR 63 -0.199 -15.036 1.765 401 HA THR 63 HA THR 63 1.945 -14.529 1.362 402 HB THR 63 HB THR 63 2.513 -13.586 -0.864 403 HG1 THR 63 HG1 THR 63 -0.125 -12.832 -0.782 404 1HG2 THR 63 HG21 THR 63 2.155 -15.978 -0.605 405 2HG2 THR 63 HG22 THR 63 1.549 -15.435 -2.170 406 3HG2 THR 63 HG23 THR 63 0.421 -15.761 -0.854 407 H GLN 64 HN GLN 64 3.410 -12.514 0.428 408 HA GLN 64 HA GLN 64 3.244 -10.671 2.551 409 1HB GLN 64 HB2 GLN 64 5.386 -11.311 1.656 410 2HB GLN 64 HB1 GLN 64 4.965 -10.656 0.081 411 1HG GLN 64 HG2 GLN 64 5.040 -8.426 0.891 412 2HG GLN 64 HG1 GLN 64 5.142 -8.971 2.564 413 1HE2 GLN 64 HE21 GLN 64 6.844 -8.652 -0.459 414 2HE2 GLN 64 HE22 GLN 64 8.435 -8.832 0.196 415 HA PRO 65 HA PRO 65 2.105 -7.422 -0.842 416 1HB PRO 65 HB2 PRO 65 0.436 -9.010 -2.676 417 2HB PRO 65 HB1 PRO 65 1.649 -7.768 -3.033 418 1HG PRO 65 HG2 PRO 65 2.131 -10.364 -3.486 419 2HG PRO 65 HG1 PRO 65 3.402 -9.265 -2.915 420 1HD PRO 65 HD2 PRO 65 1.808 -11.281 -1.385 421 2HD PRO 65 HD1 PRO 65 3.532 -10.873 -1.258 422 H ASP 66 HN ASP 66 -0.384 -10.036 -0.285 423 HA ASP 66 HA ASP 66 -2.407 -8.031 0.021 424 1HB ASP 66 HB2 ASP 66 -2.328 -10.967 0.413 425 2HB ASP 66 HB1 ASP 66 -3.537 -10.075 1.333 426 H LYS 67 HN LYS 67 -0.120 -9.583 2.108 427 HA LYS 67 HA LYS 67 -1.124 -8.882 4.599 428 1HB LYS 67 HB2 LYS 67 0.751 -10.382 4.390 429 2HB LYS 67 HB1 LYS 67 1.746 -9.095 3.681 430 1HG LYS 67 HG2 LYS 67 2.289 -9.515 6.036 431 2HG LYS 67 HG1 LYS 67 1.700 -7.872 5.767 432 1HD LYS 67 HD2 LYS 67 -0.568 -8.672 6.469 433 2HD LYS 67 HD1 LYS 67 0.183 -10.201 6.928 434 1HE LYS 67 HE2 LYS 67 -0.134 -8.609 8.816 435 2HE LYS 67 HE1 LYS 67 1.537 -9.111 8.585 436 1HZ LYS 67 HZ1 LYS 67 1.284 -6.735 9.016 437 2HZ LYS 67 HZ2 LYS 67 0.406 -6.573 7.568 438 3HZ LYS 67 HZ3 LYS 67 2.024 -7.055 7.523 439 H VAL 68 HN VAL 68 0.792 -6.927 2.321 440 HA VAL 68 HA VAL 68 1.044 -4.769 4.161 441 HB VAL 68 HB VAL 68 1.806 -3.370 2.345 442 1HG1 VAL 68 HG11 VAL 68 2.909 -6.162 2.303 443 2HG1 VAL 68 HG12 VAL 68 3.435 -4.812 3.304 444 3HG1 VAL 68 HG13 VAL 68 3.707 -4.778 1.561 445 1HG2 VAL 68 HG21 VAL 68 1.980 -4.214 0.039 446 2HG2 VAL 68 HG22 VAL 68 0.309 -4.009 0.566 447 3HG2 VAL 68 HG23 VAL 68 1.023 -5.621 0.504 448 H ARG 69 HN ARG 69 -1.340 -5.521 1.630 449 HA ARG 69 HA ARG 69 -2.853 -3.196 1.791 450 1HB ARG 69 HB2 ARG 69 -3.737 -4.654 0.247 451 2HB ARG 69 HB1 ARG 69 -3.505 -6.057 1.277 452 1HG ARG 69 HG2 ARG 69 -5.853 -5.658 0.967 453 2HG ARG 69 HG1 ARG 69 -5.424 -5.343 2.649 454 1HD ARG 69 HD2 ARG 69 -5.226 -2.880 1.889 455 2HD ARG 69 HD1 ARG 69 -6.134 -3.408 0.472 456 HE ARG 69 HE ARG 69 -7.203 -2.836 3.008 457 1HH1 ARG 69 HH11 ARG 69 -7.497 -5.284 0.518 458 2HH1 ARG 69 HH12 ARG 69 -9.138 -5.681 0.923 459 1HH2 ARG 69 HH21 ARG 69 -9.353 -3.338 3.528 460 2HH2 ARG 69 HH22 ARG 69 -10.194 -4.577 2.628 461 H LYS 70 HN LYS 70 -2.801 -5.988 3.934 462 HA LYS 70 HA LYS 70 -4.840 -5.232 5.672 463 1HB LYS 70 HB2 LYS 70 -4.134 -7.431 5.847 464 2HB LYS 70 HB1 LYS 70 -2.436 -6.994 5.882 465 1HG LYS 70 HG2 LYS 70 -4.079 -6.107 8.173 466 2HG LYS 70 HG1 LYS 70 -3.770 -7.835 8.023 467 1HD LYS 70 HD2 LYS 70 -1.312 -7.152 7.677 468 2HD LYS 70 HD1 LYS 70 -1.795 -5.589 8.331 469 1HE LYS 70 HE2 LYS 70 -1.950 -8.281 9.691 470 2HE LYS 70 HE1 LYS 70 -0.874 -6.944 10.103 471 1HZ LYS 70 HZ1 LYS 70 -3.829 -7.086 10.451 472 2HZ LYS 70 HZ2 LYS 70 -2.951 -5.644 10.595 473 3HZ LYS 70 HZ3 LYS 70 -2.640 -6.925 11.657 474 H ILE 71 HN ILE 71 -1.395 -4.306 5.695 475 HA ILE 71 HA ILE 71 -1.570 -3.128 8.279 476 HB ILE 71 HB ILE 71 0.573 -2.130 7.911 477 1HG1 ILE 71 HG12 ILE 71 0.101 -2.791 5.020 478 2HG1 ILE 71 HG11 ILE 71 0.628 -1.271 5.738 479 1HG2 ILE 71 HG21 ILE 71 0.471 -4.908 6.764 480 2HG2 ILE 71 HG22 ILE 71 0.479 -4.484 8.477 481 3HG2 ILE 71 HG23 ILE 71 1.886 -4.128 7.475 482 1HD1 ILE 71 HD11 ILE 71 2.276 -3.782 5.403 483 2HD1 ILE 71 HD12 ILE 71 2.806 -2.322 6.247 484 3HD1 ILE 71 HD13 ILE 71 2.441 -2.259 4.524 485 H LEU 72 HN LEU 72 -1.717 -1.728 4.997 486 HA LEU 72 HA LEU 72 -2.189 0.907 5.949 487 1HB LEU 72 HB2 LEU 72 -3.143 -0.159 3.296 488 2HB LEU 72 HB1 LEU 72 -2.907 1.514 3.754 489 HG LEU 72 HG LEU 72 -1.003 1.385 2.632 490 1HD1 LEU 72 HD11 LEU 72 -0.115 1.391 4.885 491 2HD1 LEU 72 HD12 LEU 72 0.946 0.517 3.780 492 3HD1 LEU 72 HD13 LEU 72 -0.095 -0.373 4.891 493 1HD2 LEU 72 HD21 LEU 72 -1.134 -1.613 2.847 494 2HD2 LEU 72 HD22 LEU 72 0.007 -0.706 1.855 495 3HD2 LEU 72 HD23 LEU 72 -1.721 -0.631 1.504 496 H ASP 73 HN ASP 73 -4.204 -1.868 5.379 497 HA ASP 73 HA ASP 73 -6.706 -0.648 5.152 498 1HB ASP 73 HB2 ASP 73 -6.060 -3.146 4.855 499 2HB ASP 73 HB1 ASP 73 -6.307 -3.262 6.588 500 H LEU 74 HN LEU 74 -4.923 -1.711 8.029 501 HA LEU 74 HA LEU 74 -7.031 -0.920 9.802 502 1HB LEU 74 HB2 LEU 74 -4.254 -1.937 10.165 503 2HB LEU 74 HB1 LEU 74 -5.033 -1.130 11.517 504 HG LEU 74 HG LEU 74 -6.952 -2.780 11.217 505 1HD1 LEU 74 HD11 LEU 74 -6.411 -3.535 8.968 506 2HD1 LEU 74 HD12 LEU 74 -6.428 -4.882 10.106 507 3HD1 LEU 74 HD13 LEU 74 -4.893 -4.214 9.552 508 1HD2 LEU 74 HD21 LEU 74 -5.342 -2.932 13.034 509 2HD2 LEU 74 HD22 LEU 74 -4.249 -3.854 11.999 510 3HD2 LEU 74 HD23 LEU 74 -5.811 -4.532 12.461 511 H VAL 75 HN VAL 75 -4.145 0.641 8.533 512 HA VAL 75 HA VAL 75 -4.192 2.778 10.427 513 HB VAL 75 HB VAL 75 -2.191 2.100 8.944 514 1HG1 VAL 75 HG11 VAL 75 -3.318 2.214 6.800 515 2HG1 VAL 75 HG12 VAL 75 -1.932 3.303 6.869 516 3HG1 VAL 75 HG13 VAL 75 -3.568 3.947 7.020 517 1HG2 VAL 75 HG21 VAL 75 -1.370 4.472 8.916 518 2HG2 VAL 75 HG22 VAL 75 -2.033 3.929 10.461 519 3HG2 VAL 75 HG23 VAL 75 -2.994 4.962 9.405 520 H GLN 76 HN GLN 76 -5.523 2.308 7.198 521 HA GLN 76 HA GLN 76 -7.170 3.316 6.043 522 1HB GLN 76 HB2 GLN 76 -7.767 4.673 8.666 523 2HB GLN 76 HB1 GLN 76 -8.791 4.773 7.239 524 1HG GLN 76 HG2 GLN 76 -9.170 2.394 7.293 525 2HG GLN 76 HG1 GLN 76 -8.056 2.220 8.649 526 1HE2 GLN 76 HE21 GLN 76 -8.997 4.691 9.895 527 2HE2 GLN 76 HE22 GLN 76 -10.531 4.313 10.596 528 H SER 77 HN SER 77 -4.848 5.323 7.661 529 HA SER 77 HA SER 77 -5.136 7.247 5.464 530 1HB SER 77 HB2 SER 77 -4.653 8.023 8.346 531 2HB SER 77 HB1 SER 77 -4.817 9.119 6.976 532 HG SER 77 HG SER 77 -6.948 7.576 6.960 533 H LYS 78 HN LYS 78 -2.932 6.896 8.292 534 HA LYS 78 HA LYS 78 -0.779 8.087 7.004 535 1HB LYS 78 HB2 LYS 78 -0.788 6.189 9.340 536 2HB LYS 78 HB1 LYS 78 0.671 7.018 8.783 537 1HG LYS 78 HG2 LYS 78 -1.816 8.179 10.015 538 2HG LYS 78 HG1 LYS 78 -0.144 8.323 10.552 539 1HD LYS 78 HD2 LYS 78 -1.361 9.582 8.092 540 2HD LYS 78 HD1 LYS 78 -0.880 10.415 9.570 541 1HE LYS 78 HE2 LYS 78 1.435 9.885 9.164 542 2HE LYS 78 HE1 LYS 78 1.001 8.899 7.766 543 1HZ LYS 78 HZ1 LYS 78 0.266 10.841 6.600 544 2HZ LYS 78 HZ2 LYS 78 1.823 11.161 7.195 545 3HZ LYS 78 HZ3 LYS 78 0.466 11.817 7.973 546 H GLY 79 HN GLY 79 -0.985 4.590 7.715 547 1HA GLY 79 HA2 GLY 79 1.224 3.696 6.341 548 2HA GLY 79 HA1 GLY 79 -0.261 2.778 6.524 549 H GLU 80 HN GLU 80 -2.070 4.010 5.066 550 HA GLU 80 HA GLU 80 -1.621 3.215 2.467 551 1HB GLU 80 HB2 GLU 80 -3.845 3.673 3.320 552 2HB GLU 80 HB1 GLU 80 -3.464 5.383 3.481 553 1HG GLU 80 HG2 GLU 80 -3.141 5.491 1.035 554 2HG GLU 80 HG1 GLU 80 -3.661 3.812 0.929 555 H GLU 81 HN GLU 81 -1.302 6.474 3.822 556 HA GLU 81 HA GLU 81 -0.676 7.759 1.371 557 1HB GLU 81 HB2 GLU 81 -1.644 9.011 3.164 558 2HB GLU 81 HB1 GLU 81 -0.369 8.530 4.271 559 1HG GLU 81 HG2 GLU 81 1.162 9.781 2.552 560 2HG GLU 81 HG1 GLU 81 -0.348 10.587 2.129 561 H VAL 82 HN VAL 82 1.318 6.676 4.105 562 HA VAL 82 HA VAL 82 3.713 7.738 2.973 563 HB VAL 82 HB VAL 82 4.893 6.516 4.814 564 1HG1 VAL 82 HG11 VAL 82 3.908 7.915 6.618 565 2HG1 VAL 82 HG12 VAL 82 2.587 8.319 5.522 566 3HG1 VAL 82 HG13 VAL 82 4.238 8.797 5.127 567 1HG2 VAL 82 HG21 VAL 82 3.278 4.659 5.080 568 2HG2 VAL 82 HG22 VAL 82 2.109 5.800 5.744 569 3HG2 VAL 82 HG23 VAL 82 3.620 5.491 6.594 570 H SER 83 HN SER 83 2.227 4.548 3.058 571 HA SER 83 HA SER 83 4.462 3.057 2.255 572 1HB SER 83 HB2 SER 83 1.499 2.586 1.999 573 2HB SER 83 HB1 SER 83 2.693 1.403 1.482 574 HG SER 83 HG SER 83 3.390 2.213 3.911 575 H GLU 84 HN GLU 84 1.807 4.439 0.282 576 HA GLU 84 HA GLU 84 2.919 3.483 -2.141 577 1HB GLU 84 HB2 GLU 84 1.424 5.126 -3.261 578 2HB GLU 84 HB1 GLU 84 0.592 4.086 -2.115 579 1HG GLU 84 HG2 GLU 84 0.601 5.895 -0.472 580 2HG GLU 84 HG1 GLU 84 1.431 6.936 -1.628 581 H PHE 85 HN PHE 85 3.286 6.460 -0.315 582 HA PHE 85 HA PHE 85 4.741 7.903 -2.231 583 1HB PHE 85 HB2 PHE 85 3.740 8.955 -0.272 584 2HB PHE 85 HB1 PHE 85 4.807 8.047 0.789 585 HD1 PHE 85 HD1 PHE 85 6.764 9.010 1.521 586 HD2 PHE 85 HD2 PHE 85 4.909 10.507 -2.004 587 HE1 PHE 85 HE1 PHE 85 8.402 10.842 1.444 588 HE2 PHE 85 HE2 PHE 85 6.546 12.340 -2.092 589 HZ PHE 85 HZ PHE 85 8.296 12.509 -0.365 590 H PHE 86 HN PHE 86 5.874 5.770 0.412 591 HA PHE 86 HA PHE 86 8.618 6.402 0.000 592 1HB PHE 86 HB2 PHE 86 7.310 5.350 2.065 593 2HB PHE 86 HB1 PHE 86 7.838 3.840 1.314 594 HD1 PHE 86 HD1 PHE 86 10.488 4.782 0.257 595 HD2 PHE 86 HD2 PHE 86 8.606 5.343 4.033 596 HE1 PHE 86 HE1 PHE 86 12.694 4.997 1.321 597 HE2 PHE 86 HE2 PHE 86 10.810 5.564 5.102 598 HZ PHE 86 HZ PHE 86 12.835 5.455 3.781 599 H LEU 87 HN LEU 87 6.675 3.525 -0.879 600 HA LEU 87 HA LEU 87 8.892 2.143 -1.978 601 1HB LEU 87 HB2 LEU 87 7.442 0.447 -2.485 602 2HB LEU 87 HB1 LEU 87 6.538 1.269 -1.230 603 HG LEU 87 HG LEU 87 5.496 2.501 -3.381 604 1HD1 LEU 87 HD11 LEU 87 6.863 1.242 -4.971 605 2HD1 LEU 87 HD12 LEU 87 5.151 0.872 -5.167 606 3HD1 LEU 87 HD13 LEU 87 6.212 -0.271 -4.341 607 1HD2 LEU 87 HD21 LEU 87 3.626 0.949 -3.204 608 2HD2 LEU 87 HD22 LEU 87 4.261 1.346 -1.607 609 3HD2 LEU 87 HD23 LEU 87 4.650 -0.205 -2.350 610 H TYR 88 HN TYR 88 6.621 4.430 -3.264 611 HA TYR 88 HA TYR 88 7.430 4.205 -5.999 612 1HB TYR 88 HB2 TYR 88 5.858 6.254 -4.453 613 2HB TYR 88 HB1 TYR 88 6.302 6.526 -6.136 614 HD1 TYR 88 HD1 TYR 88 5.960 3.151 -6.057 615 HD2 TYR 88 HD2 TYR 88 3.545 6.630 -5.686 616 HE1 TYR 88 HE1 TYR 88 4.004 1.851 -6.765 617 HE2 TYR 88 HE2 TYR 88 1.573 5.342 -6.394 618 HH TYR 88 HH TYR 88 1.002 3.348 -7.569 619 H LEU 89 HN LEU 89 8.557 6.133 -3.251 620 HA LEU 89 HA LEU 89 10.150 7.989 -4.557 621 1HB LEU 89 HB2 LEU 89 10.956 6.360 -2.136 622 2HB LEU 89 HB1 LEU 89 11.706 7.853 -2.653 623 HG LEU 89 HG LEU 89 8.878 7.568 -1.633 624 1HD1 LEU 89 HD11 LEU 89 11.353 8.726 -0.359 625 2HD1 LEU 89 HD12 LEU 89 10.508 7.258 0.131 626 3HD1 LEU 89 HD13 LEU 89 9.721 8.828 0.301 627 1HD2 LEU 89 HD21 LEU 89 9.081 9.363 -3.266 628 2HD2 LEU 89 HD22 LEU 89 10.455 10.026 -2.381 629 3HD2 LEU 89 HD23 LEU 89 8.853 10.008 -1.641 630 H LEU 90 HN LEU 90 10.878 4.648 -3.683 631 HA LEU 90 HA LEU 90 13.334 4.486 -5.075 632 1HB LEU 90 HB2 LEU 90 11.393 2.443 -4.052 633 2HB LEU 90 HB1 LEU 90 12.770 1.959 -5.020 634 HG LEU 90 HG LEU 90 13.306 1.667 -2.697 635 1HD1 LEU 90 HD11 LEU 90 15.306 3.076 -2.509 636 2HD1 LEU 90 HD12 LEU 90 14.713 4.071 -3.839 637 3HD1 LEU 90 HD13 LEU 90 15.124 2.379 -4.119 638 1HD2 LEU 90 HD21 LEU 90 13.354 3.528 -1.113 639 2HD2 LEU 90 HD22 LEU 90 11.722 3.234 -1.715 640 3HD2 LEU 90 HD23 LEU 90 12.660 4.590 -2.339 641 H GLN 91 HN GLN 91 9.982 3.824 -6.066 642 HA GLN 91 HA GLN 91 10.814 2.418 -8.407 643 1HB GLN 91 HB2 GLN 91 8.794 1.714 -7.385 644 2HB GLN 91 HB1 GLN 91 8.108 3.325 -7.494 645 1HG GLN 91 HG2 GLN 91 8.360 3.068 -10.017 646 2HG GLN 91 HG1 GLN 91 8.599 1.355 -9.682 647 1HE2 GLN 91 HE21 GLN 91 6.448 2.859 -11.075 648 2HE2 GLN 91 HE22 GLN 91 5.000 2.351 -10.309 649 H GLN 92 HN GLN 92 9.208 5.545 -7.933 650 HA GLN 92 HA GLN 92 10.153 7.146 -9.833 651 1HB GLN 92 HB2 GLN 92 8.595 6.822 -11.854 652 2HB GLN 92 HB1 GLN 92 9.943 5.693 -11.704 653 1HG GLN 92 HG2 GLN 92 8.132 4.195 -10.512 654 2HG GLN 92 HG1 GLN 92 7.021 5.232 -11.391 655 1HE2 GLN 92 HE21 GLN 92 7.520 2.383 -11.736 656 2HE2 GLN 92 HE22 GLN 92 8.012 2.176 -13.380 657 H LEU 93 HN LEU 93 9.276 8.570 -8.304 658 HA LEU 93 HA LEU 93 6.582 8.734 -7.584 659 1HB LEU 93 HB2 LEU 93 8.636 10.919 -7.887 660 2HB LEU 93 HB1 LEU 93 7.058 11.158 -7.161 661 HG LEU 93 HG LEU 93 9.161 9.263 -6.117 662 1HD1 LEU 93 HD11 LEU 93 9.548 10.870 -4.387 663 2HD1 LEU 93 HD12 LEU 93 8.281 11.926 -5.011 664 3HD1 LEU 93 HD13 LEU 93 9.758 11.671 -5.943 665 1HD2 LEU 93 HD21 LEU 93 6.882 8.562 -5.606 666 2HD2 LEU 93 HD22 LEU 93 6.524 10.164 -4.962 667 3HD2 LEU 93 HD23 LEU 93 7.706 9.134 -4.155 668 H ALA 94 HN ALA 94 8.311 10.178 -10.300 669 HA ALA 94 HA ALA 94 6.223 11.744 -11.306 670 1HB ALA 94 HB1 ALA 94 8.446 10.423 -12.856 671 2HB ALA 94 HB2 ALA 94 8.572 11.957 -11.997 672 3HB ALA 94 HB3 ALA 94 7.482 11.807 -13.375 673 H ASP 95 HN ASP 95 7.116 8.377 -12.010 674 HA ASP 95 HA ASP 95 5.077 8.196 -14.023 675 1HB ASP 95 HB2 ASP 95 7.169 6.969 -14.343 676 2HB ASP 95 HB1 ASP 95 6.802 6.002 -12.912 677 H ALA 96 HN ALA 96 5.617 6.822 -10.825 678 HA ALA 96 HA ALA 96 3.276 5.165 -10.982 679 1HB ALA 96 HB1 ALA 96 3.893 4.431 -8.767 680 2HB ALA 96 HB2 ALA 96 5.078 5.732 -8.644 681 3HB ALA 96 HB3 ALA 96 5.301 4.445 -9.828 682 H TYR 97 HN TYR 97 4.180 8.086 -9.155 683 HA TYR 97 HA TYR 97 1.846 7.937 -7.519 684 1HB TYR 97 HB2 TYR 97 4.083 9.013 -6.915 685 2HB TYR 97 HB1 TYR 97 3.564 10.380 -7.895 686 HD1 TYR 97 HD1 TYR 97 2.579 8.328 -4.958 687 HD2 TYR 97 HD2 TYR 97 2.166 12.038 -7.000 688 HE1 TYR 97 HE1 TYR 97 1.324 9.233 -3.047 689 HE2 TYR 97 HE2 TYR 97 0.910 12.954 -5.093 690 HH TYR 97 HH TYR 97 0.655 11.238 -2.072 691 H VAL 98 HN VAL 98 2.810 10.062 -10.211 692 HA VAL 98 HA VAL 98 0.424 11.580 -10.187 693 HB VAL 98 HB VAL 98 2.284 11.085 -12.519 694 1HG1 VAL 98 HG11 VAL 98 0.342 13.330 -11.995 695 2HG1 VAL 98 HG12 VAL 98 0.170 12.063 -13.211 696 3HG1 VAL 98 HG13 VAL 98 1.473 13.243 -13.344 697 1HG2 VAL 98 HG21 VAL 98 2.359 13.252 -10.423 698 2HG2 VAL 98 HG22 VAL 98 3.412 13.139 -11.833 699 3HG2 VAL 98 HG23 VAL 98 3.497 11.911 -10.571 700 H ASP 99 HN ASP 99 1.366 8.640 -11.891 701 HA ASP 99 HA ASP 99 -1.030 8.502 -13.462 702 1HB ASP 99 HB2 ASP 99 1.293 7.472 -13.966 703 2HB ASP 99 HB1 ASP 99 0.777 6.162 -12.910 704 H LEU 100 HN LEU 100 -0.276 7.799 -10.251 705 HA LEU 100 HA LEU 100 -1.835 5.494 -9.792 706 1HB LEU 100 HB2 LEU 100 -0.108 6.124 -8.248 707 2HB LEU 100 HB1 LEU 100 -0.877 7.664 -7.933 708 HG LEU 100 HG LEU 100 -2.420 5.204 -7.265 709 1HD1 LEU 100 HD11 LEU 100 -0.177 4.709 -6.420 710 2HD1 LEU 100 HD12 LEU 100 -1.308 5.026 -5.105 711 3HD1 LEU 100 HD13 LEU 100 -0.148 6.264 -5.589 712 1HD2 LEU 100 HD21 LEU 100 -2.046 7.894 -5.945 713 2HD2 LEU 100 HD22 LEU 100 -3.134 6.622 -5.390 714 3HD2 LEU 100 HD23 LEU 100 -3.413 7.405 -6.946 715 H ARG 101 HN ARG 101 -2.673 8.875 -9.971 716 HA ARG 101 HA ARG 101 -5.044 8.846 -8.496 717 1HB ARG 101 HB2 ARG 101 -4.319 10.523 -10.906 718 2HB ARG 101 HB1 ARG 101 -5.713 10.816 -9.874 719 1HG ARG 101 HG2 ARG 101 -2.840 10.859 -8.972 720 2HG ARG 101 HG1 ARG 101 -3.833 12.277 -9.316 721 1HD ARG 101 HD2 ARG 101 -5.373 11.645 -7.545 722 2HD ARG 101 HD1 ARG 101 -4.430 10.192 -7.223 723 HE ARG 101 HE ARG 101 -2.761 12.453 -7.014 724 1HH1 ARG 101 HH11 ARG 101 -5.463 10.934 -5.369 725 2HH1 ARG 101 HH12 ARG 101 -4.987 11.498 -3.793 726 1HH2 ARG 101 HH21 ARG 101 -2.126 13.187 -4.939 727 2HH2 ARG 101 HH22 ARG 101 -3.085 12.770 -3.548 728 HA PRO 102 HA PRO 102 -7.371 7.538 -12.615 729 1HB PRO 102 HB2 PRO 102 -5.081 6.302 -14.040 730 2HB PRO 102 HB1 PRO 102 -6.450 7.212 -14.687 731 1HG PRO 102 HG2 PRO 102 -4.024 8.305 -14.551 732 2HG PRO 102 HG1 PRO 102 -5.478 9.263 -14.209 733 1HD PRO 102 HD2 PRO 102 -3.497 8.075 -12.311 734 2HD PRO 102 HD1 PRO 102 -4.326 9.644 -12.242 735 H TRP 103 HN TRP 103 -4.537 5.746 -11.421 736 HA TRP 103 HA TRP 103 -5.423 3.159 -11.962 737 1HB TRP 103 HB2 TRP 103 -3.655 4.155 -9.717 738 2HB TRP 103 HB1 TRP 103 -3.931 2.450 -10.046 739 HD1 TRP 103 HD1 TRP 103 -3.763 3.523 -13.382 740 HE1 TRP 103 HE1 TRP 103 -1.374 3.518 -14.345 741 HE3 TRP 103 HE3 TRP 103 -1.107 3.311 -9.006 742 HZ2 TRP 103 HZ2 TRP 103 1.276 3.429 -13.384 743 HZ3 TRP 103 HZ3 TRP 103 1.353 3.263 -9.123 744 HH2 TRP 103 HH2 TRP 103 2.529 3.324 -11.268 745 H LEU 104 HN LEU 104 -5.859 5.056 -8.954 746 HA LEU 104 HA LEU 104 -7.190 2.907 -7.653 747 1HB LEU 104 HB2 LEU 104 -7.616 4.424 -5.831 748 2HB LEU 104 HB1 LEU 104 -5.969 4.601 -6.393 749 HG LEU 104 HG LEU 104 -7.056 6.598 -7.793 750 1HD1 LEU 104 HD11 LEU 104 -9.330 6.196 -6.982 751 2HD1 LEU 104 HD12 LEU 104 -8.730 7.774 -6.470 752 3HD1 LEU 104 HD13 LEU 104 -8.780 6.435 -5.324 753 1HD2 LEU 104 HD21 LEU 104 -5.183 6.784 -6.253 754 2HD2 LEU 104 HD22 LEU 104 -6.295 6.749 -4.883 755 3HD2 LEU 104 HD23 LEU 104 -6.330 8.102 -6.015 756 H LEU 105 HN LEU 105 -8.374 5.651 -9.534 757 HA LEU 105 HA LEU 105 -11.033 5.380 -8.535 758 1HB LEU 105 HB2 LEU 105 -11.683 6.974 -10.286 759 2HB LEU 105 HB1 LEU 105 -10.343 7.537 -9.314 760 HG LEU 105 HG LEU 105 -8.906 6.592 -11.313 761 1HD1 LEU 105 HD11 LEU 105 -10.764 5.613 -12.537 762 2HD1 LEU 105 HD12 LEU 105 -10.026 6.917 -13.465 763 3HD1 LEU 105 HD13 LEU 105 -11.554 7.188 -12.628 764 1HD2 LEU 105 HD21 LEU 105 -10.454 9.179 -11.421 765 2HD2 LEU 105 HD22 LEU 105 -8.991 8.822 -12.339 766 3HD2 LEU 105 HD23 LEU 105 -8.927 8.906 -10.578 767 H GLU 106 HN GLU 106 -9.281 4.150 -11.295 768 HA GLU 106 HA GLU 106 -11.535 2.978 -12.572 769 1HB GLU 106 HB2 GLU 106 -8.611 2.268 -12.764 770 2HB GLU 106 HB1 GLU 106 -9.869 1.671 -13.834 771 1HG GLU 106 HG2 GLU 106 -10.330 4.030 -14.485 772 2HG GLU 106 HG1 GLU 106 -8.913 4.504 -13.538 773 H ILE 107 HN ILE 107 -9.094 1.740 -10.306 774 HA ILE 107 HA ILE 107 -10.089 -0.946 -10.527 775 HB ILE 107 HB ILE 107 -7.686 -0.306 -10.061 776 1HG1 ILE 107 HG12 ILE 107 -7.317 -2.222 -8.517 777 2HG1 ILE 107 HG11 ILE 107 -9.051 -2.278 -8.214 778 1HG2 ILE 107 HG21 ILE 107 -7.068 0.047 -7.721 779 2HG2 ILE 107 HG22 ILE 107 -8.775 0.106 -7.283 780 3HG2 ILE 107 HG23 ILE 107 -8.090 1.346 -8.334 781 1HD1 ILE 107 HD11 ILE 107 -8.378 -3.971 -9.816 782 2HD1 ILE 107 HD12 ILE 107 -7.705 -2.726 -10.869 783 3HD1 ILE 107 HD13 ILE 107 -9.442 -2.784 -10.570 784 H GLY 108 HN GLY 108 -10.690 1.763 -8.423 785 1HA GLY 108 HA2 GLY 108 -11.824 0.618 -6.196 786 2HA GLY 108 HA1 GLY 108 -12.423 2.091 -6.944 787 H PHE 109 HN PHE 109 -13.266 0.985 -9.393 788 HA PHE 109 HA PHE 109 -14.804 -0.268 -10.482 789 1HB PHE 109 HB2 PHE 109 -13.530 -2.101 -9.177 790 2HB PHE 109 HB1 PHE 109 -14.944 -2.144 -8.132 791 HD1 PHE 109 HD1 PHE 109 -13.883 -2.497 -11.671 792 HD2 PHE 109 HD2 PHE 109 -16.795 -3.407 -8.708 793 HE1 PHE 109 HE1 PHE 109 -14.997 -4.026 -13.239 794 HE2 PHE 109 HE2 PHE 109 -17.912 -4.942 -10.269 795 HZ PHE 109 HZ PHE 109 -16.979 -5.260 -12.553 796 H SER 110 HN SER 110 -15.478 1.485 -7.837 797 HA SER 110 HA SER 110 -18.306 1.434 -8.421 798 1HB SER 110 HB2 SER 110 -17.289 0.854 -5.625 799 2HB SER 110 HB1 SER 110 -18.973 1.163 -6.048 800 HG SER 110 HG SER 110 -17.907 -0.772 -7.618 Start of MODEL 2 1 1H GLY 12 HT1 GLY 12 -12.981 6.956 -2.904 2 2H GLY 12 HT2 GLY 12 -14.504 7.596 -3.282 3 3H GLY 12 HT3 GLY 12 -13.664 8.148 -1.912 4 1HA GLY 12 HA1 GLY 12 -12.746 8.492 -4.713 5 2HA GLY 12 HA2 GLY 12 -13.578 9.723 -3.775 6 H ALA 13 HN ALA 13 -12.440 9.774 -1.378 7 HA ALA 13 HA ALA 13 -9.616 10.327 -2.026 8 1HB ALA 13 HB1 ALA 13 -10.916 12.388 -1.973 9 2HB ALA 13 HB2 ALA 13 -9.745 12.337 -0.655 10 3HB ALA 13 HB3 ALA 13 -11.449 12.015 -0.334 11 H MET 14 HN MET 14 -11.665 10.325 0.910 12 HA MET 14 HA MET 14 -9.864 8.460 2.225 13 1HB MET 14 HB2 MET 14 -8.730 10.659 2.456 14 2HB MET 14 HB1 MET 14 -10.171 11.302 3.226 15 1HG MET 14 HG2 MET 14 -9.874 9.617 5.036 16 2HG MET 14 HG1 MET 14 -8.335 9.172 4.295 17 1HE MET 14 HE1 MET 14 -7.303 9.701 6.786 18 2HE MET 14 HE2 MET 14 -8.868 10.276 7.358 19 3HE MET 14 HE3 MET 14 -7.432 11.281 7.558 20 H GLU 15 HN GLU 15 -12.289 7.775 1.736 21 HA GLU 15 HA GLU 15 -14.142 8.730 3.750 22 1HB GLU 15 HB2 GLU 15 -14.472 6.747 1.496 23 2HB GLU 15 HB1 GLU 15 -15.756 7.185 2.614 24 1HG GLU 15 HG2 GLU 15 -16.017 8.422 0.568 25 2HG GLU 15 HG1 GLU 15 -15.582 9.527 1.870 26 H SER 16 HN SER 16 -12.771 5.579 2.785 27 HA SER 16 HA SER 16 -12.860 4.791 5.595 28 1HB SER 16 HB2 SER 16 -13.964 3.080 3.353 29 2HB SER 16 HB1 SER 16 -13.781 2.573 5.033 30 HG SER 16 HG SER 16 -15.163 4.480 5.507 31 H HIS 17 HN HIS 17 -12.088 3.211 2.479 32 HA HIS 17 HA HIS 17 -9.271 3.251 3.121 33 1HB HIS 17 HB2 HIS 17 -9.003 0.770 2.896 34 2HB HIS 17 HB1 HIS 17 -9.771 1.305 4.378 35 HD1 HIS 17 HD1 HIS 17 -10.067 -1.554 3.633 36 HD2 HIS 17 HD2 HIS 17 -12.747 1.360 2.346 37 HE1 HIS 17 HE1 HIS 17 -12.214 -2.772 3.138 38 HE2 HIS 17 HE2 HIS 17 -13.775 -1.013 2.237 39 HA PRO 18 HA PRO 18 -10.646 3.560 -1.287 40 1HB PRO 18 HB2 PRO 18 -9.107 6.022 -1.404 41 2HB PRO 18 HB1 PRO 18 -10.842 5.783 -1.610 42 1HG PRO 18 HG2 PRO 18 -9.790 7.070 0.528 43 2HG PRO 18 HG1 PRO 18 -11.290 6.127 0.616 44 1HD PRO 18 HD2 PRO 18 -8.508 5.332 1.425 45 2HD PRO 18 HD1 PRO 18 -10.044 5.093 2.291 46 H HIS 19 HN HIS 19 -7.431 4.959 -0.517 47 HA HIS 19 HA HIS 19 -6.371 4.024 -3.007 48 1HB HIS 19 HB2 HIS 19 -4.719 4.934 -0.645 49 2HB HIS 19 HB1 HIS 19 -4.290 4.991 -2.354 50 HD1 HIS 19 HD1 HIS 19 -5.369 7.101 0.310 51 HD2 HIS 19 HD2 HIS 19 -6.162 6.903 -3.780 52 HE1 HIS 19 HE1 HIS 19 -6.256 9.369 -0.329 53 HE2 HIS 19 HE2 HIS 19 -6.584 9.275 -2.824 54 H ILE 20 HN ILE 20 -6.490 2.916 0.254 55 HA ILE 20 HA ILE 20 -4.475 1.012 0.353 56 HB ILE 20 HB ILE 20 -7.202 0.514 1.488 57 1HG1 ILE 20 HG12 ILE 20 -5.143 2.461 2.534 58 2HG1 ILE 20 HG11 ILE 20 -6.743 2.863 1.927 59 1HG2 ILE 20 HG21 ILE 20 -5.510 -0.034 3.467 60 2HG2 ILE 20 HG22 ILE 20 -4.421 -0.295 2.097 61 3HG2 ILE 20 HG23 ILE 20 -5.924 -1.214 2.218 62 1HD1 ILE 20 HD11 ILE 20 -6.145 1.252 4.394 63 2HD1 ILE 20 HD12 ILE 20 -7.751 1.662 3.789 64 3HD1 ILE 20 HD13 ILE 20 -6.667 2.938 4.347 65 H GLN 21 HN GLN 21 -7.857 0.633 -0.648 66 HA GLN 21 HA GLN 21 -7.587 -2.088 -1.388 67 1HB GLN 21 HB2 GLN 21 -9.678 -0.062 -2.178 68 2HB GLN 21 HB1 GLN 21 -9.768 -1.774 -2.550 69 1HG GLN 21 HG2 GLN 21 -10.400 -0.347 -0.099 70 2HG GLN 21 HG1 GLN 21 -10.957 -1.914 -0.676 71 1HE2 GLN 21 HE21 GLN 21 -8.765 -0.232 1.346 72 2HE2 GLN 21 HE22 GLN 21 -8.082 -1.602 2.136 73 H LEU 22 HN LEU 22 -7.224 0.954 -3.078 74 HA LEU 22 HA LEU 22 -7.288 -0.025 -5.688 75 1HB LEU 22 HB2 LEU 22 -6.973 2.115 -6.225 76 2HB LEU 22 HB1 LEU 22 -6.931 2.451 -4.511 77 HG LEU 22 HG LEU 22 -4.356 1.957 -4.786 78 1HD1 LEU 22 HD11 LEU 22 -4.421 1.219 -7.083 79 2HD1 LEU 22 HD12 LEU 22 -3.517 2.728 -6.968 80 3HD1 LEU 22 HD13 LEU 22 -5.170 2.739 -7.580 81 1HD2 LEU 22 HD21 LEU 22 -5.325 4.082 -4.076 82 2HD2 LEU 22 HD22 LEU 22 -5.629 4.509 -5.758 83 3HD2 LEU 22 HD23 LEU 22 -3.974 4.328 -5.181 84 H LEU 23 HN LEU 23 -4.493 0.453 -3.513 85 HA LEU 23 HA LEU 23 -2.533 -0.373 -5.324 86 1HB LEU 23 HB2 LEU 23 -2.675 -0.119 -2.373 87 2HB LEU 23 HB1 LEU 23 -1.332 -1.019 -3.051 88 HG LEU 23 HG LEU 23 -0.929 1.067 -4.499 89 1HD1 LEU 23 HD11 LEU 23 -2.633 2.296 -2.352 90 2HD1 LEU 23 HD12 LEU 23 -3.027 2.194 -4.068 91 3HD1 LEU 23 HD13 LEU 23 -1.663 3.175 -3.531 92 1HD2 LEU 23 HD21 LEU 23 -0.469 1.181 -1.523 93 2HD2 LEU 23 HD22 LEU 23 0.406 2.113 -2.740 94 3HD2 LEU 23 HD23 LEU 23 0.549 0.355 -2.702 95 H LYS 24 HN LYS 24 -4.356 -2.283 -2.928 96 HA LYS 24 HA LYS 24 -2.874 -4.648 -3.401 97 1HB LYS 24 HB2 LYS 24 -4.573 -5.850 -2.179 98 2HB LYS 24 HB1 LYS 24 -4.147 -4.355 -1.348 99 1HG LYS 24 HG2 LYS 24 -6.208 -3.550 -1.489 100 2HG LYS 24 HG1 LYS 24 -6.418 -4.069 -3.162 101 1HD LYS 24 HD2 LYS 24 -6.598 -5.899 -0.771 102 2HD LYS 24 HD1 LYS 24 -7.991 -5.143 -1.545 103 1HE LYS 24 HE2 LYS 24 -6.033 -6.893 -3.020 104 2HE LYS 24 HE1 LYS 24 -7.479 -7.522 -2.233 105 1HZ LYS 24 HZ1 LYS 24 -7.774 -7.079 -4.627 106 2HZ LYS 24 HZ2 LYS 24 -7.503 -5.429 -4.345 107 3HZ LYS 24 HZ3 LYS 24 -8.850 -6.197 -3.663 108 H SER 25 HN SER 25 -5.685 -3.294 -4.993 109 HA SER 25 HA SER 25 -6.488 -5.638 -6.337 110 1HB SER 25 HB2 SER 25 -6.769 -2.757 -7.210 111 2HB SER 25 HB1 SER 25 -7.709 -4.124 -7.821 112 HG SER 25 HG SER 25 -7.888 -2.769 -5.397 113 H ASN 26 HN ASN 26 -3.901 -3.418 -6.853 114 HA ASN 26 HA ASN 26 -2.984 -5.071 -9.113 115 1HB ASN 26 HB2 ASN 26 -1.562 -2.799 -9.488 116 2HB ASN 26 HB1 ASN 26 -3.103 -3.115 -10.278 117 1HD2 ASN 26 HD21 ASN 26 -1.570 -1.485 -7.567 118 2HD2 ASN 26 HD22 ASN 26 -2.822 -0.316 -7.325 119 H ARG 27 HN ARG 27 -2.610 -5.631 -6.399 120 HA ARG 27 HA ARG 27 -0.320 -4.540 -5.225 121 1HB ARG 27 HB2 ARG 27 -0.355 -6.546 -3.753 122 2HB ARG 27 HB1 ARG 27 -1.906 -5.734 -3.872 123 1HG ARG 27 HG2 ARG 27 -2.569 -7.459 -5.561 124 2HG ARG 27 HG1 ARG 27 -1.068 -8.307 -5.183 125 1HD ARG 27 HD2 ARG 27 -1.748 -8.614 -2.905 126 2HD ARG 27 HD1 ARG 27 -3.156 -7.581 -3.139 127 HE ARG 27 HE ARG 27 -4.255 -9.306 -4.187 128 1HH1 ARG 27 HH11 ARG 27 -0.914 -10.207 -3.644 129 2HH1 ARG 27 HH12 ARG 27 -1.143 -11.864 -4.103 130 1HH2 ARG 27 HH21 ARG 27 -4.575 -11.461 -4.778 131 2HH2 ARG 27 HH22 ARG 27 -3.252 -12.589 -4.732 132 H GLU 28 HN GLU 28 -0.691 -7.534 -7.072 133 HA GLU 28 HA GLU 28 1.936 -8.449 -6.850 134 1HB GLU 28 HB2 GLU 28 -0.031 -8.847 -9.113 135 2HB GLU 28 HB1 GLU 28 1.426 -9.801 -8.858 136 1HG GLU 28 HG2 GLU 28 0.579 -10.762 -6.888 137 2HG GLU 28 HG1 GLU 28 -0.727 -9.583 -6.779 138 H LEU 29 HN LEU 29 0.454 -6.318 -9.247 139 HA LEU 29 HA LEU 29 2.684 -6.029 -10.930 140 1HB LEU 29 HB2 LEU 29 0.392 -5.340 -11.519 141 2HB LEU 29 HB1 LEU 29 0.478 -4.050 -10.337 142 HG LEU 29 HG LEU 29 2.330 -3.026 -11.636 143 1HD1 LEU 29 HD11 LEU 29 2.776 -3.800 -13.898 144 2HD1 LEU 29 HD12 LEU 29 1.659 -5.146 -13.673 145 3HD1 LEU 29 HD13 LEU 29 3.143 -5.066 -12.723 146 1HD2 LEU 29 HD21 LEU 29 -0.223 -3.506 -13.169 147 2HD2 LEU 29 HD22 LEU 29 0.926 -2.203 -13.465 148 3HD2 LEU 29 HD23 LEU 29 0.038 -2.264 -11.943 149 H LEU 30 HN LEU 30 1.607 -4.119 -8.130 150 HA LEU 30 HA LEU 30 3.740 -2.259 -8.281 151 1HB LEU 30 HB2 LEU 30 1.686 -2.929 -6.235 152 2HB LEU 30 HB1 LEU 30 3.064 -1.964 -5.749 153 HG LEU 30 HG LEU 30 2.479 -0.217 -7.364 154 1HD1 LEU 30 HD11 LEU 30 1.554 -1.669 -9.118 155 2HD1 LEU 30 HD12 LEU 30 0.464 -0.347 -8.702 156 3HD1 LEU 30 HD13 LEU 30 0.140 -1.977 -8.111 157 1HD2 LEU 30 HD21 LEU 30 0.351 0.483 -6.380 158 2HD2 LEU 30 HD22 LEU 30 1.452 -0.146 -5.153 159 3HD2 LEU 30 HD23 LEU 30 0.110 -1.138 -5.727 160 H VAL 31 HN VAL 31 3.415 -5.391 -6.708 161 HA VAL 31 HA VAL 31 5.648 -5.204 -5.003 162 HB VAL 31 HB VAL 31 4.481 -7.652 -6.346 163 1HG1 VAL 31 HG11 VAL 31 6.784 -8.078 -5.694 164 2HG1 VAL 31 HG12 VAL 31 5.675 -8.944 -4.630 165 3HG1 VAL 31 HG13 VAL 31 6.457 -7.463 -4.074 166 1HG2 VAL 31 HG21 VAL 31 2.923 -6.533 -4.860 167 2HG2 VAL 31 HG22 VAL 31 4.130 -6.515 -3.575 168 3HG2 VAL 31 HG23 VAL 31 3.466 -8.049 -4.142 169 H THR 32 HN THR 32 5.392 -6.496 -8.315 170 HA THR 32 HA THR 32 8.163 -7.060 -8.519 171 HB THR 32 HB THR 32 6.483 -8.222 -9.903 172 HG1 THR 32 HG1 THR 32 8.017 -7.071 -11.888 173 1HG2 THR 32 HG21 THR 32 5.019 -6.351 -10.445 174 2HG2 THR 32 HG22 THR 32 5.592 -7.139 -11.916 175 3HG2 THR 32 HG23 THR 32 6.302 -5.609 -11.401 176 H HIS 33 HN HIS 33 6.243 -4.235 -9.081 177 HA HIS 33 HA HIS 33 7.683 -2.642 -10.754 178 1HB HIS 33 HB2 HIS 33 6.149 -2.045 -8.247 179 2HB HIS 33 HB1 HIS 33 7.049 -0.739 -9.047 180 HD1 HIS 33 HD1 HIS 33 4.114 -0.363 -8.947 181 HD2 HIS 33 HD2 HIS 33 5.959 -2.442 -12.034 182 HE1 HIS 33 HE1 HIS 33 2.512 -0.262 -10.878 183 HE2 HIS 33 HE2 HIS 33 3.791 -1.250 -12.805 184 H ILE 34 HN ILE 34 8.471 -3.340 -7.380 185 HA ILE 34 HA ILE 34 11.166 -2.399 -7.834 186 HB ILE 34 HB ILE 34 10.147 -0.319 -7.204 187 1HG1 ILE 34 HG12 ILE 34 12.380 -1.150 -6.085 188 2HG1 ILE 34 HG11 ILE 34 11.648 0.375 -5.607 189 1HG2 ILE 34 HG21 ILE 34 8.979 0.006 -5.062 190 2HG2 ILE 34 HG22 ILE 34 9.040 -1.735 -4.792 191 3HG2 ILE 34 HG23 ILE 34 8.132 -1.086 -6.158 192 1HD1 ILE 34 HD11 ILE 34 12.424 -0.857 -3.677 193 2HD1 ILE 34 HD12 ILE 34 11.429 -2.241 -4.130 194 3HD1 ILE 34 HD13 ILE 34 10.666 -0.724 -3.651 195 H ARG 35 HN ARG 35 8.869 -3.435 -5.346 196 HA ARG 35 HA ARG 35 10.008 -5.849 -4.679 197 1HB ARG 35 HB2 ARG 35 11.564 -3.675 -3.627 198 2HB ARG 35 HB1 ARG 35 10.811 -4.543 -2.305 199 1HG ARG 35 HG2 ARG 35 11.803 -6.607 -2.989 200 2HG ARG 35 HG1 ARG 35 12.435 -5.870 -4.462 201 1HD ARG 35 HD2 ARG 35 13.184 -4.932 -1.704 202 2HD ARG 35 HD1 ARG 35 14.084 -6.177 -2.569 203 HE ARG 35 HE ARG 35 13.815 -3.912 -4.220 204 1HH1 ARG 35 HH11 ARG 35 15.467 -4.934 -1.302 205 2HH1 ARG 35 HH12 ARG 35 16.849 -3.912 -1.583 206 1HH2 ARG 35 HH21 ARG 35 15.614 -2.569 -4.588 207 2HH2 ARG 35 HH22 ARG 35 16.929 -2.554 -3.442 208 H ASN 36 HN ASN 36 8.412 -2.953 -3.732 209 HA ASN 36 HA ASN 36 6.381 -2.591 -2.790 210 1HB ASN 36 HB2 ASN 36 5.455 -4.592 -3.663 211 2HB ASN 36 HB1 ASN 36 6.388 -5.588 -2.551 212 1HD2 ASN 36 HD21 ASN 36 3.643 -3.467 -2.900 213 2HD2 ASN 36 HD22 ASN 36 2.865 -3.905 -1.422 214 H THR 37 HN THR 37 8.826 -4.462 -1.197 215 HA THR 37 HA THR 37 7.978 -4.522 1.437 216 HB THR 37 HB THR 37 10.485 -4.542 1.953 217 HG1 THR 37 HG1 THR 37 11.586 -3.698 0.328 218 1HG2 THR 37 HG21 THR 37 9.382 -6.496 -0.069 219 2HG2 THR 37 HG22 THR 37 9.167 -6.584 1.678 220 3HG2 THR 37 HG23 THR 37 10.774 -6.776 0.976 221 H GLN 38 HN GLN 38 9.257 -1.837 -0.358 222 HA GLN 38 HA GLN 38 10.147 -0.217 1.747 223 1HB GLN 38 HB2 GLN 38 10.469 0.135 -0.746 224 2HB GLN 38 HB1 GLN 38 8.826 0.762 -0.785 225 1HG GLN 38 HG2 GLN 38 10.234 2.635 -0.676 226 2HG GLN 38 HG1 GLN 38 9.552 2.450 0.937 227 1HE2 GLN 38 HE21 GLN 38 12.079 0.382 -0.276 228 2HE2 GLN 38 HE22 GLN 38 13.340 0.993 0.738 229 H CYS 39 HN CYS 39 6.974 -0.972 0.571 230 HA CYS 39 HA CYS 39 5.516 1.159 1.717 231 1HB CYS 39 HB2 CYS 39 4.337 0.050 0.074 232 2HB CYS 39 HB1 CYS 39 4.896 -1.535 0.590 233 HG CYS 39 HG CYS 39 2.793 0.129 2.656 234 H LEU 40 HN LEU 40 6.261 -2.110 2.893 235 HA LEU 40 HA LEU 40 4.566 -1.840 5.143 236 1HB LEU 40 HB2 LEU 40 5.823 -3.923 5.944 237 2HB LEU 40 HB1 LEU 40 4.794 -4.011 4.523 238 HG LEU 40 HG LEU 40 7.090 -3.537 3.269 239 1HD1 LEU 40 HD11 LEU 40 8.941 -4.700 4.397 240 2HD1 LEU 40 HD12 LEU 40 7.943 -4.885 5.838 241 3HD1 LEU 40 HD13 LEU 40 8.417 -3.276 5.295 242 1HD2 LEU 40 HD21 LEU 40 5.681 -5.469 2.892 243 2HD2 LEU 40 HD22 LEU 40 6.245 -6.213 4.389 244 3HD2 LEU 40 HD23 LEU 40 7.364 -5.977 3.045 245 H VAL 41 HN VAL 41 8.007 -1.228 4.668 246 HA VAL 41 HA VAL 41 8.599 -1.020 7.427 247 HB VAL 41 HB VAL 41 10.546 0.439 6.668 248 1HG1 VAL 41 HG11 VAL 41 10.221 -2.360 5.581 249 2HG1 VAL 41 HG12 VAL 41 10.777 -1.920 7.196 250 3HG1 VAL 41 HG13 VAL 41 11.757 -1.519 5.786 251 1HG2 VAL 41 HG21 VAL 41 9.477 1.110 4.514 252 2HG2 VAL 41 HG22 VAL 41 9.687 -0.552 3.955 253 3HG2 VAL 41 HG23 VAL 41 11.099 0.435 4.336 254 H ASP 42 HN ASP 42 7.623 1.504 5.051 255 HA ASP 42 HA ASP 42 7.712 3.596 6.982 256 1HB ASP 42 HB2 ASP 42 6.356 4.909 5.433 257 2HB ASP 42 HB1 ASP 42 7.672 4.106 4.590 258 H ASN 43 HN ASN 43 5.208 1.323 6.038 259 HA ASN 43 HA ASN 43 3.158 2.333 7.660 260 1HB ASN 43 HB2 ASN 43 2.215 0.703 6.416 261 2HB ASN 43 HB1 ASN 43 3.741 -0.163 6.225 262 1HD2 ASN 43 HD21 ASN 43 4.342 -1.673 7.726 263 2HD2 ASN 43 HD22 ASN 43 3.209 -2.397 8.810 264 H LEU 44 HN LEU 44 5.949 0.389 8.356 265 HA LEU 44 HA LEU 44 5.112 -0.386 10.999 266 1HB LEU 44 HB2 LEU 44 6.531 -1.947 10.030 267 2HB LEU 44 HB1 LEU 44 7.580 -0.739 9.344 268 HG LEU 44 HG LEU 44 8.560 -2.196 11.156 269 1HD1 LEU 44 HD11 LEU 44 8.632 0.777 11.627 270 2HD1 LEU 44 HD12 LEU 44 9.638 -0.131 10.498 271 3HD1 LEU 44 HD13 LEU 44 9.800 -0.397 12.234 272 1HD2 LEU 44 HD21 LEU 44 8.084 -1.640 13.475 273 2HD2 LEU 44 HD22 LEU 44 6.644 -2.245 12.657 274 3HD2 LEU 44 HD23 LEU 44 6.825 -0.518 12.958 275 H LEU 45 HN LEU 45 7.138 2.053 9.518 276 HA LEU 45 HA LEU 45 7.962 3.392 11.819 277 1HB LEU 45 HB2 LEU 45 8.942 4.122 9.858 278 2HB LEU 45 HB1 LEU 45 7.446 4.083 8.964 279 HG LEU 45 HG LEU 45 8.544 6.330 9.294 280 1HD1 LEU 45 HD11 LEU 45 5.745 5.575 9.494 281 2HD1 LEU 45 HD12 LEU 45 6.528 6.864 8.558 282 3HD1 LEU 45 HD13 LEU 45 6.085 7.150 10.241 283 1HD2 LEU 45 HD21 LEU 45 7.494 5.994 12.099 284 2HD2 LEU 45 HD22 LEU 45 8.082 7.503 11.400 285 3HD2 LEU 45 HD23 LEU 45 9.184 6.144 11.617 286 H LYS 46 HN LYS 46 4.935 3.547 10.008 287 HA LYS 46 HA LYS 46 3.854 5.663 11.587 288 1HB LYS 46 HB2 LYS 46 3.343 4.610 9.112 289 2HB LYS 46 HB1 LYS 46 1.944 4.078 10.044 290 1HG LYS 46 HG2 LYS 46 1.545 6.220 8.932 291 2HG LYS 46 HG1 LYS 46 1.463 6.365 10.690 292 1HD LYS 46 HD2 LYS 46 3.753 7.237 10.719 293 2HD LYS 46 HD1 LYS 46 3.833 7.088 8.963 294 1HE LYS 46 HE2 LYS 46 2.043 8.710 8.721 295 2HE LYS 46 HE1 LYS 46 1.882 8.822 10.474 296 1HZ LYS 46 HZ1 LYS 46 3.181 10.656 9.555 297 2HZ LYS 46 HZ2 LYS 46 4.309 9.558 8.923 298 3HZ LYS 46 HZ3 LYS 46 4.117 9.701 10.601 299 H ASN 47 HN ASN 47 3.410 2.126 11.635 300 HA ASN 47 HA ASN 47 1.415 2.478 13.775 301 1HB ASN 47 HB2 ASN 47 2.022 0.089 12.032 302 2HB ASN 47 HB1 ASN 47 0.880 0.062 13.371 303 1HD2 ASN 47 HD21 ASN 47 1.446 1.015 10.118 304 2HD2 ASN 47 HD22 ASN 47 -0.148 1.597 9.794 305 H ASP 48 HN ASP 48 4.607 1.542 13.271 306 HA ASP 48 HA ASP 48 6.283 0.982 14.646 307 1HB ASP 48 HB2 ASP 48 5.206 2.832 15.967 308 2HB ASP 48 HB1 ASP 48 4.423 1.590 16.938 309 H TYR 49 HN TYR 49 4.300 -1.184 13.927 310 HA TYR 49 HA TYR 49 5.847 -3.191 15.110 311 1HB TYR 49 HB2 TYR 49 4.374 -4.371 16.552 312 2HB TYR 49 HB1 TYR 49 4.453 -2.707 17.112 313 HD1 TYR 49 HD1 TYR 49 2.499 -1.220 16.846 314 HD2 TYR 49 HD2 TYR 49 2.323 -5.328 15.761 315 HE1 TYR 49 HE1 TYR 49 0.041 -1.116 16.868 316 HE2 TYR 49 HE2 TYR 49 -0.131 -5.232 15.768 317 HH TYR 49 HH TYR 49 -1.872 -2.306 15.907 318 H PHE 50 HN PHE 50 3.257 -2.240 13.090 319 HA PHE 50 HA PHE 50 2.626 -4.840 12.040 320 1HB PHE 50 HB2 PHE 50 2.033 -2.009 11.285 321 2HB PHE 50 HB1 PHE 50 1.771 -3.282 10.097 322 HD1 PHE 50 HD1 PHE 50 0.085 -1.353 12.290 323 HD2 PHE 50 HD2 PHE 50 0.658 -5.482 11.410 324 HE1 PHE 50 HE1 PHE 50 -2.086 -1.870 13.319 325 HE2 PHE 50 HE2 PHE 50 -1.512 -6.002 12.451 326 HZ PHE 50 HZ PHE 50 -2.887 -4.197 13.404 327 H SER 51 HN SER 51 5.363 -4.393 12.200 328 HA SER 51 HA SER 51 6.521 -3.836 9.682 329 1HB SER 51 HB2 SER 51 8.528 -4.943 10.851 330 2HB SER 51 HB1 SER 51 7.895 -3.451 11.547 331 HG SER 51 HG SER 51 8.281 -5.535 12.884 332 H ALA 52 HN ALA 52 8.172 -5.578 8.964 333 HA ALA 52 HA ALA 52 7.003 -7.673 7.673 334 1HB ALA 52 HB1 ALA 52 9.827 -7.548 8.708 335 2HB ALA 52 HB2 ALA 52 9.246 -6.863 7.190 336 3HB ALA 52 HB3 ALA 52 9.242 -8.612 7.428 337 H GLU 53 HN GLU 53 8.078 -7.624 11.051 338 HA GLU 53 HA GLU 53 7.996 -10.394 11.531 339 1HB GLU 53 HB2 GLU 53 7.385 -8.081 13.378 340 2HB GLU 53 HB1 GLU 53 7.538 -9.748 13.912 341 1HG GLU 53 HG2 GLU 53 9.688 -8.089 12.620 342 2HG GLU 53 HG1 GLU 53 9.579 -8.524 14.325 343 H ASP 54 HN ASP 54 5.412 -7.961 11.957 344 HA ASP 54 HA ASP 54 3.417 -9.919 12.571 345 1HB ASP 54 HB2 ASP 54 2.454 -8.022 13.312 346 2HB ASP 54 HB1 ASP 54 3.569 -7.025 12.390 347 H ALA 55 HN ALA 55 4.429 -8.166 9.719 348 HA ALA 55 HA ALA 55 2.620 -9.127 7.881 349 1HB ALA 55 HB1 ALA 55 5.538 -8.661 7.310 350 2HB ALA 55 HB2 ALA 55 4.358 -7.367 7.483 351 3HB ALA 55 HB3 ALA 55 4.193 -8.545 6.181 352 H GLU 56 HN GLU 56 5.530 -10.640 9.145 353 HA GLU 56 HA GLU 56 5.802 -12.780 7.395 354 1HB GLU 56 HB2 GLU 56 7.540 -12.288 8.965 355 2HB GLU 56 HB1 GLU 56 6.453 -12.492 10.330 356 1HG GLU 56 HG2 GLU 56 7.948 -14.362 10.181 357 2HG GLU 56 HG1 GLU 56 6.304 -14.889 9.828 358 H ILE 57 HN ILE 57 3.979 -12.584 10.432 359 HA ILE 57 HA ILE 57 3.118 -15.256 10.470 360 HB ILE 57 HB ILE 57 1.478 -12.961 11.535 361 1HG1 ILE 57 HG12 ILE 57 3.723 -12.550 12.317 362 2HG1 ILE 57 HG11 ILE 57 2.789 -13.220 13.649 363 1HG2 ILE 57 HG21 ILE 57 0.404 -15.116 11.652 364 2HG2 ILE 57 HG22 ILE 57 0.881 -14.609 13.272 365 3HG2 ILE 57 HG23 ILE 57 1.830 -15.822 12.413 366 1HD1 ILE 57 HD11 ILE 57 4.863 -14.600 11.972 367 2HD1 ILE 57 HD12 ILE 57 3.799 -15.450 13.093 368 3HD1 ILE 57 HD13 ILE 57 4.925 -14.236 13.698 369 H VAL 58 HN VAL 58 1.505 -12.359 9.219 370 HA VAL 58 HA VAL 58 -0.816 -13.763 8.353 371 HB VAL 58 HB VAL 58 0.125 -11.013 7.541 372 1HG1 VAL 58 HG11 VAL 58 -2.241 -10.603 7.036 373 2HG1 VAL 58 HG12 VAL 58 -2.609 -12.287 7.413 374 3HG1 VAL 58 HG13 VAL 58 -1.575 -11.895 6.039 375 1HG2 VAL 58 HG21 VAL 58 -0.083 -11.243 9.968 376 2HG2 VAL 58 HG22 VAL 58 -1.727 -11.850 9.771 377 3HG2 VAL 58 HG23 VAL 58 -1.338 -10.193 9.312 378 H CYS 59 HN CYS 59 2.082 -12.594 6.668 379 HA CYS 59 HA CYS 59 1.129 -12.776 4.055 380 1HB CYS 59 HB2 CYS 59 3.428 -12.690 3.323 381 2HB CYS 59 HB1 CYS 59 3.202 -11.598 4.681 382 HG CYS 59 HG CYS 59 4.160 -14.077 6.281 383 H ALA 60 HN ALA 60 2.103 -15.277 6.187 384 HA ALA 60 HA ALA 60 2.976 -17.315 4.602 385 1HB ALA 60 HB1 ALA 60 1.072 -17.454 6.931 386 2HB ALA 60 HB2 ALA 60 2.833 -17.548 6.980 387 3HB ALA 60 HB3 ALA 60 1.901 -18.845 6.231 388 H CYS 61 HN CYS 61 -0.256 -15.959 4.587 389 HA CYS 61 HA CYS 61 -1.019 -18.087 2.705 390 1HB CYS 61 HB2 CYS 61 -2.821 -16.420 4.462 391 2HB CYS 61 HB1 CYS 61 -3.388 -17.555 3.240 392 HG CYS 61 HG CYS 61 -2.070 -19.752 4.516 393 HA PRO 62 HA PRO 62 -2.640 -14.305 0.390 394 1HB PRO 62 HB2 PRO 62 -2.591 -11.887 1.941 395 2HB PRO 62 HB1 PRO 62 -3.992 -12.795 1.378 396 1HG PRO 62 HG2 PRO 62 -3.289 -12.549 4.014 397 2HG PRO 62 HG1 PRO 62 -4.217 -13.912 3.363 398 1HD PRO 62 HD2 PRO 62 -1.284 -13.730 3.964 399 2HD PRO 62 HD1 PRO 62 -2.424 -15.053 4.306 400 H THR 63 HN THR 63 0.219 -14.524 1.682 401 HA THR 63 HA THR 63 2.319 -13.860 1.304 402 HB THR 63 HB THR 63 2.900 -12.974 -0.937 403 HG1 THR 63 HG1 THR 63 0.195 -12.487 -1.005 404 1HG2 THR 63 HG21 THR 63 2.723 -15.374 -0.535 405 2HG2 THR 63 HG22 THR 63 2.202 -14.967 -2.169 406 3HG2 THR 63 HG23 THR 63 1.004 -15.320 -0.925 407 H GLN 64 HN GLN 64 3.666 -11.805 0.377 408 HA GLN 64 HA GLN 64 3.351 -9.888 2.371 409 1HB GLN 64 HB2 GLN 64 4.874 -9.524 -0.205 410 2HB GLN 64 HB1 GLN 64 5.099 -8.609 1.276 411 1HG GLN 64 HG2 GLN 64 6.842 -10.086 1.383 412 2HG GLN 64 HG1 GLN 64 5.613 -10.941 2.313 413 1HE2 GLN 64 HE21 GLN 64 7.388 -10.817 -0.664 414 2HE2 GLN 64 HE22 GLN 64 6.989 -12.412 -1.208 415 HA PRO 65 HA PRO 65 1.748 -6.863 -1.119 416 1HB PRO 65 HB2 PRO 65 0.018 -8.231 -2.815 417 2HB PRO 65 HB1 PRO 65 1.620 -7.622 -3.229 418 1HG PRO 65 HG2 PRO 65 0.761 -10.367 -2.465 419 2HG PRO 65 HG1 PRO 65 2.015 -9.857 -3.610 420 1HD PRO 65 HD2 PRO 65 2.632 -10.804 -1.183 421 2HD PRO 65 HD1 PRO 65 3.573 -9.496 -1.936 422 H ASP 66 HN ASP 66 -0.370 -9.684 -0.269 423 HA ASP 66 HA ASP 66 -2.607 -7.932 0.107 424 1HB ASP 66 HB2 ASP 66 -2.338 -10.685 -0.048 425 2HB ASP 66 HB1 ASP 66 -2.716 -10.408 1.649 426 H LYS 67 HN LYS 67 -0.058 -9.237 2.093 427 HA LYS 67 HA LYS 67 -1.080 -8.578 4.609 428 1HB LYS 67 HB2 LYS 67 0.818 -10.051 4.420 429 2HB LYS 67 HB1 LYS 67 1.785 -8.776 3.661 430 1HG LYS 67 HG2 LYS 67 2.364 -9.145 6.033 431 2HG LYS 67 HG1 LYS 67 1.793 -7.505 5.711 432 1HD LYS 67 HD2 LYS 67 -0.469 -8.208 6.480 433 2HD LYS 67 HD1 LYS 67 0.226 -9.760 6.950 434 1HE LYS 67 HE2 LYS 67 -0.030 -7.993 8.765 435 2HE LYS 67 HE1 LYS 67 1.538 -8.782 8.642 436 1HZ LYS 67 HZ1 LYS 67 2.374 -6.883 7.438 437 2HZ LYS 67 HZ2 LYS 67 1.748 -6.407 8.939 438 3HZ LYS 67 HZ3 LYS 67 0.864 -6.124 7.515 439 H VAL 68 HN VAL 68 0.708 -6.622 2.249 440 HA VAL 68 HA VAL 68 1.145 -4.495 4.094 441 HB VAL 68 HB VAL 68 1.899 -3.139 2.233 442 1HG1 VAL 68 HG11 VAL 68 2.876 -5.982 2.076 443 2HG1 VAL 68 HG12 VAL 68 3.456 -4.728 3.171 444 3HG1 VAL 68 HG13 VAL 68 3.725 -4.577 1.434 445 1HG2 VAL 68 HG21 VAL 68 1.917 -4.006 -0.067 446 2HG2 VAL 68 HG22 VAL 68 0.282 -3.734 0.536 447 3HG2 VAL 68 HG23 VAL 68 0.930 -5.371 0.455 448 H ARG 69 HN ARG 69 -1.348 -5.156 1.644 449 HA ARG 69 HA ARG 69 -2.585 -2.640 1.992 450 1HB ARG 69 HB2 ARG 69 -4.554 -3.555 0.884 451 2HB ARG 69 HB1 ARG 69 -3.080 -3.933 0.019 452 1HG ARG 69 HG2 ARG 69 -4.497 -5.811 -0.105 453 2HG ARG 69 HG1 ARG 69 -3.172 -6.223 0.988 454 1HD ARG 69 HD2 ARG 69 -5.065 -7.060 2.062 455 2HD ARG 69 HD1 ARG 69 -4.764 -5.513 2.859 456 HE ARG 69 HE ARG 69 -6.578 -4.601 1.462 457 1HH1 ARG 69 HH11 ARG 69 -6.351 -8.071 1.827 458 2HH1 ARG 69 HH12 ARG 69 -8.071 -8.329 1.737 459 1HH2 ARG 69 HH21 ARG 69 -8.851 -4.919 1.315 460 2HH2 ARG 69 HH22 ARG 69 -9.499 -6.527 1.475 461 H LYS 70 HN LYS 70 -2.798 -5.642 3.774 462 HA LYS 70 HA LYS 70 -5.056 -4.976 5.320 463 1HB LYS 70 HB2 LYS 70 -4.602 -7.181 5.615 464 2HB LYS 70 HB1 LYS 70 -2.867 -6.948 5.518 465 1HG LYS 70 HG2 LYS 70 -4.145 -5.849 7.934 466 2HG LYS 70 HG1 LYS 70 -4.177 -7.609 7.775 467 1HD LYS 70 HD2 LYS 70 -1.771 -7.614 7.399 468 2HD LYS 70 HD1 LYS 70 -1.734 -5.863 7.544 469 1HE LYS 70 HE2 LYS 70 -0.977 -7.174 9.580 470 2HE LYS 70 HE1 LYS 70 -2.221 -5.945 9.856 471 1HZ LYS 70 HZ1 LYS 70 -2.856 -8.823 9.457 472 2HZ LYS 70 HZ2 LYS 70 -3.891 -7.603 10.022 473 3HZ LYS 70 HZ3 LYS 70 -2.597 -8.131 10.983 474 H ILE 71 HN ILE 71 -1.598 -4.388 5.838 475 HA ILE 71 HA ILE 71 -2.042 -3.148 8.349 476 HB ILE 71 HB ILE 71 0.323 -2.191 7.967 477 1HG1 ILE 71 HG12 ILE 71 0.151 -4.246 5.747 478 2HG1 ILE 71 HG11 ILE 71 0.653 -2.563 5.612 479 1HG2 ILE 71 HG21 ILE 71 -0.366 -5.094 8.263 480 2HG2 ILE 71 HG22 ILE 71 -0.186 -3.884 9.535 481 3HG2 ILE 71 HG23 ILE 71 1.225 -4.424 8.620 482 1HD1 ILE 71 HD11 ILE 71 2.553 -4.188 5.528 483 2HD1 ILE 71 HD12 ILE 71 2.150 -4.651 7.180 484 3HD1 ILE 71 HD13 ILE 71 2.671 -3.006 6.832 485 H LEU 72 HN LEU 72 -1.673 -1.865 5.063 486 HA LEU 72 HA LEU 72 -1.977 0.837 5.824 487 1HB LEU 72 HB2 LEU 72 -2.782 -0.495 3.244 488 2HB LEU 72 HB1 LEU 72 -2.830 1.233 3.536 489 HG LEU 72 HG LEU 72 -0.702 1.471 2.941 490 1HD1 LEU 72 HD11 LEU 72 0.090 0.776 5.135 491 2HD1 LEU 72 HD12 LEU 72 1.164 0.189 3.864 492 3HD1 LEU 72 HD13 LEU 72 0.023 -0.914 4.635 493 1HD2 LEU 72 HD21 LEU 72 -0.988 -1.440 2.294 494 2HD2 LEU 72 HD22 LEU 72 0.317 -0.415 1.698 495 3HD2 LEU 72 HD23 LEU 72 -1.353 -0.079 1.237 496 H ASP 73 HN ASP 73 -4.235 -1.789 5.365 497 HA ASP 73 HA ASP 73 -6.601 -0.257 5.125 498 1HB ASP 73 HB2 ASP 73 -6.178 -2.807 4.672 499 2HB ASP 73 HB1 ASP 73 -6.590 -2.982 6.368 500 H LEU 74 HN LEU 74 -5.040 -1.818 7.901 501 HA LEU 74 HA LEU 74 -7.014 -0.981 9.768 502 1HB LEU 74 HB2 LEU 74 -4.319 -2.224 9.957 503 2HB LEU 74 HB1 LEU 74 -4.963 -1.440 11.395 504 HG LEU 74 HG LEU 74 -6.955 -2.907 11.274 505 1HD1 LEU 74 HD11 LEU 74 -6.977 -3.365 8.888 506 2HD1 LEU 74 HD12 LEU 74 -6.933 -4.864 9.817 507 3HD1 LEU 74 HD13 LEU 74 -5.468 -4.268 9.035 508 1HD2 LEU 74 HD21 LEU 74 -5.834 -4.953 11.993 509 2HD2 LEU 74 HD22 LEU 74 -5.068 -3.520 12.678 510 3HD2 LEU 74 HD23 LEU 74 -4.315 -4.359 11.322 511 H VAL 75 HN VAL 75 -4.014 0.435 8.608 512 HA VAL 75 HA VAL 75 -3.973 2.558 10.504 513 HB VAL 75 HB VAL 75 -2.046 1.804 8.912 514 1HG1 VAL 75 HG11 VAL 75 -3.226 2.121 6.821 515 2HG1 VAL 75 HG12 VAL 75 -1.796 3.148 6.912 516 3HG1 VAL 75 HG13 VAL 75 -3.397 3.841 7.169 517 1HG2 VAL 75 HG21 VAL 75 -1.184 4.218 8.920 518 2HG2 VAL 75 HG22 VAL 75 -1.595 3.478 10.469 519 3HG2 VAL 75 HG23 VAL 75 -2.712 4.612 9.709 520 H GLN 76 HN GLN 76 -5.450 2.052 7.390 521 HA GLN 76 HA GLN 76 -7.333 2.919 6.495 522 1HB GLN 76 HB2 GLN 76 -8.240 3.411 8.692 523 2HB GLN 76 HB1 GLN 76 -7.301 4.898 8.772 524 1HG GLN 76 HG2 GLN 76 -8.534 5.795 6.879 525 2HG GLN 76 HG1 GLN 76 -9.458 4.296 6.765 526 1HE2 GLN 76 HE21 GLN 76 -11.052 3.876 8.285 527 2HE2 GLN 76 HE22 GLN 76 -11.659 5.094 9.352 528 H SER 77 HN SER 77 -4.898 5.320 7.501 529 HA SER 77 HA SER 77 -5.034 6.329 4.758 530 1HB SER 77 HB2 SER 77 -5.117 8.163 7.156 531 2HB SER 77 HB1 SER 77 -5.139 8.645 5.458 532 HG SER 77 HG SER 77 -7.084 7.047 5.524 533 H LYS 78 HN LYS 78 -3.220 6.422 7.846 534 HA LYS 78 HA LYS 78 -1.070 7.899 6.813 535 1HB LYS 78 HB2 LYS 78 -1.086 5.949 9.106 536 2HB LYS 78 HB1 LYS 78 0.280 6.996 8.713 537 1HG LYS 78 HG2 LYS 78 -2.491 7.837 9.600 538 2HG LYS 78 HG1 LYS 78 -0.991 7.975 10.512 539 1HD LYS 78 HD2 LYS 78 -1.349 10.144 9.714 540 2HD LYS 78 HD1 LYS 78 -0.189 9.472 8.568 541 1HE LYS 78 HE2 LYS 78 -2.020 8.964 7.020 542 2HE LYS 78 HE1 LYS 78 -3.175 9.649 8.161 543 1HZ LYS 78 HZ1 LYS 78 -2.529 11.175 6.344 544 2HZ LYS 78 HZ2 LYS 78 -0.940 11.174 6.934 545 3HZ LYS 78 HZ3 LYS 78 -2.199 11.798 7.885 546 H GLY 79 HN GLY 79 -1.022 4.391 7.506 547 1HA GLY 79 HA2 GLY 79 1.364 3.814 6.174 548 2HA GLY 79 HA1 GLY 79 0.052 2.673 6.446 549 H GLU 80 HN GLU 80 -1.979 3.745 5.017 550 HA GLU 80 HA GLU 80 -1.610 2.868 2.431 551 1HB GLU 80 HB2 GLU 80 -3.823 3.237 3.238 552 2HB GLU 80 HB1 GLU 80 -3.497 4.937 3.571 553 1HG GLU 80 HG2 GLU 80 -3.083 5.070 1.001 554 2HG GLU 80 HG1 GLU 80 -4.029 3.584 0.968 555 H GLU 81 HN GLU 81 -1.418 6.232 3.618 556 HA GLU 81 HA GLU 81 -0.790 7.330 1.059 557 1HB GLU 81 HB2 GLU 81 -2.009 8.622 2.718 558 2HB GLU 81 HB1 GLU 81 -0.650 8.526 3.828 559 1HG GLU 81 HG2 GLU 81 0.709 9.810 2.220 560 2HG GLU 81 HG1 GLU 81 -0.712 9.966 1.187 561 H VAL 82 HN VAL 82 1.148 6.650 3.986 562 HA VAL 82 HA VAL 82 3.475 7.829 2.841 563 HB VAL 82 HB VAL 82 4.754 6.740 4.698 564 1HG1 VAL 82 HG11 VAL 82 2.333 8.367 5.459 565 2HG1 VAL 82 HG12 VAL 82 3.874 8.997 4.873 566 3HG1 VAL 82 HG13 VAL 82 3.793 8.176 6.433 567 1HG2 VAL 82 HG21 VAL 82 3.251 4.796 5.049 568 2HG2 VAL 82 HG22 VAL 82 2.033 5.891 5.691 569 3HG2 VAL 82 HG23 VAL 82 3.573 5.698 6.527 570 H SER 83 HN SER 83 2.206 4.552 2.905 571 HA SER 83 HA SER 83 4.527 3.235 2.030 572 1HB SER 83 HB2 SER 83 1.609 2.545 1.694 573 2HB SER 83 HB1 SER 83 2.928 1.466 1.244 574 HG SER 83 HG SER 83 3.436 2.310 3.698 575 H GLU 84 HN GLU 84 1.779 4.564 0.153 576 HA GLU 84 HA GLU 84 2.827 3.824 -2.350 577 1HB GLU 84 HB2 GLU 84 1.377 5.669 -3.280 578 2HB GLU 84 HB1 GLU 84 0.536 4.474 -2.299 579 1HG GLU 84 HG2 GLU 84 0.389 5.966 -0.459 580 2HG GLU 84 HG1 GLU 84 1.477 7.117 -1.228 581 H PHE 85 HN PHE 85 3.353 6.663 -0.325 582 HA PHE 85 HA PHE 85 4.861 8.116 -2.228 583 1HB PHE 85 HB2 PHE 85 3.860 9.133 -0.202 584 2HB PHE 85 HB1 PHE 85 5.017 8.255 0.793 585 HD1 PHE 85 HD1 PHE 85 7.237 9.049 1.078 586 HD2 PHE 85 HD2 PHE 85 4.647 10.894 -1.746 587 HE1 PHE 85 HE1 PHE 85 8.834 10.903 0.832 588 HE2 PHE 85 HE2 PHE 85 6.239 12.752 -2.000 589 HZ PHE 85 HZ PHE 85 8.336 12.757 -0.710 590 H PHE 86 HN PHE 86 5.841 5.889 0.386 591 HA PHE 86 HA PHE 86 8.629 6.334 -0.045 592 1HB PHE 86 HB2 PHE 86 7.024 4.442 1.623 593 2HB PHE 86 HB1 PHE 86 8.751 4.146 1.394 594 HD1 PHE 86 HD1 PHE 86 9.885 4.700 3.286 595 HD2 PHE 86 HD2 PHE 86 6.757 7.265 1.968 596 HE1 PHE 86 HE1 PHE 86 10.413 6.268 5.104 597 HE2 PHE 86 HE2 PHE 86 7.277 8.841 3.787 598 HZ PHE 86 HZ PHE 86 9.108 8.343 5.358 599 H LEU 87 HN LEU 87 6.478 3.585 -0.847 600 HA LEU 87 HA LEU 87 8.602 2.051 -1.922 601 1HB LEU 87 HB2 LEU 87 7.070 0.419 -2.327 602 2HB LEU 87 HB1 LEU 87 6.176 1.353 -1.147 603 HG LEU 87 HG LEU 87 5.269 2.508 -3.407 604 1HD1 LEU 87 HD11 LEU 87 4.860 0.757 -5.073 605 2HD1 LEU 87 HD12 LEU 87 5.876 -0.352 -4.151 606 3HD1 LEU 87 HD13 LEU 87 6.580 1.091 -4.881 607 1HD2 LEU 87 HD21 LEU 87 3.899 1.578 -1.619 608 2HD2 LEU 87 HD22 LEU 87 4.240 -0.054 -2.192 609 3HD2 LEU 87 HD23 LEU 87 3.311 1.057 -3.197 610 H TYR 88 HN TYR 88 6.370 4.367 -3.299 611 HA TYR 88 HA TYR 88 7.201 3.937 -6.000 612 1HB TYR 88 HB2 TYR 88 5.630 6.126 -4.663 613 2HB TYR 88 HB1 TYR 88 6.065 6.198 -6.369 614 HD1 TYR 88 HD1 TYR 88 5.726 2.897 -6.166 615 HD2 TYR 88 HD2 TYR 88 3.292 6.346 -5.661 616 HE1 TYR 88 HE1 TYR 88 3.740 1.562 -6.725 617 HE2 TYR 88 HE2 TYR 88 1.297 5.027 -6.214 618 HH TYR 88 HH TYR 88 0.690 3.015 -7.364 619 H LEU 89 HN LEU 89 8.305 6.196 -3.441 620 HA LEU 89 HA LEU 89 9.684 7.880 -5.198 621 1HB LEU 89 HB2 LEU 89 11.065 8.608 -3.339 622 2HB LEU 89 HB1 LEU 89 9.381 8.525 -2.885 623 HG LEU 89 HG LEU 89 10.025 6.225 -1.845 624 1HD1 LEU 89 HD11 LEU 89 12.721 7.575 -1.928 625 2HD1 LEU 89 HD12 LEU 89 12.280 6.102 -2.791 626 3HD1 LEU 89 HD13 LEU 89 12.316 6.115 -1.028 627 1HD2 LEU 89 HD21 LEU 89 10.945 8.828 -0.637 628 2HD2 LEU 89 HD22 LEU 89 10.589 7.340 0.244 629 3HD2 LEU 89 HD23 LEU 89 9.298 8.197 -0.602 630 H LEU 90 HN LEU 90 10.673 4.828 -3.740 631 HA LEU 90 HA LEU 90 13.206 4.716 -5.040 632 1HB LEU 90 HB2 LEU 90 12.063 3.274 -3.098 633 2HB LEU 90 HB1 LEU 90 11.702 2.219 -4.448 634 HG LEU 90 HG LEU 90 14.490 3.140 -3.749 635 1HD1 LEU 90 HD11 LEU 90 14.805 0.906 -2.800 636 2HD1 LEU 90 HD12 LEU 90 13.093 0.561 -3.057 637 3HD1 LEU 90 HD13 LEU 90 13.577 1.822 -1.924 638 1HD2 LEU 90 HD21 LEU 90 14.186 2.450 -6.079 639 2HD2 LEU 90 HD22 LEU 90 13.507 0.916 -5.533 640 3HD2 LEU 90 HD23 LEU 90 15.191 1.306 -5.189 641 H GLN 91 HN GLN 91 9.945 3.771 -5.965 642 HA GLN 91 HA GLN 91 10.694 2.098 -8.146 643 1HB GLN 91 HB2 GLN 91 8.501 2.338 -6.637 644 2HB GLN 91 HB1 GLN 91 7.991 3.264 -8.033 645 1HG GLN 91 HG2 GLN 91 9.041 0.996 -9.145 646 2HG GLN 91 HG1 GLN 91 8.217 0.419 -7.691 647 1HE2 GLN 91 HE21 GLN 91 7.880 1.704 -10.824 648 2HE2 GLN 91 HE22 GLN 91 6.138 1.711 -10.884 649 H GLN 92 HN GLN 92 9.229 5.254 -7.920 650 HA GLN 92 HA GLN 92 10.417 6.745 -9.789 651 1HB GLN 92 HB2 GLN 92 8.694 6.709 -11.727 652 2HB GLN 92 HB1 GLN 92 9.952 5.466 -11.720 653 1HG GLN 92 HG2 GLN 92 8.186 3.935 -10.666 654 2HG GLN 92 HG1 GLN 92 7.031 5.194 -11.082 655 1HE2 GLN 92 HE21 GLN 92 7.136 2.506 -12.122 656 2HE2 GLN 92 HE22 GLN 92 7.355 2.640 -13.828 657 H LEU 93 HN LEU 93 9.779 8.052 -8.015 658 HA LEU 93 HA LEU 93 7.192 8.100 -6.981 659 1HB LEU 93 HB2 LEU 93 7.840 10.216 -5.870 660 2HB LEU 93 HB1 LEU 93 8.997 8.921 -5.658 661 HG LEU 93 HG LEU 93 10.159 10.122 -7.730 662 1HD1 LEU 93 HD11 LEU 93 9.974 12.544 -7.543 663 2HD1 LEU 93 HD12 LEU 93 8.704 12.362 -6.333 664 3HD1 LEU 93 HD13 LEU 93 8.431 11.822 -7.989 665 1HD2 LEU 93 HD21 LEU 93 10.342 11.041 -4.866 666 2HD2 LEU 93 HD22 LEU 93 11.559 11.314 -6.114 667 3HD2 LEU 93 HD23 LEU 93 11.194 9.673 -5.579 668 H ALA 94 HN ALA 94 8.621 10.011 -9.561 669 HA ALA 94 HA ALA 94 6.393 11.775 -9.793 670 1HB ALA 94 HB1 ALA 94 8.563 11.141 -11.792 671 2HB ALA 94 HB2 ALA 94 8.616 12.410 -10.567 672 3HB ALA 94 HB3 ALA 94 7.438 12.499 -11.877 673 H ASP 95 HN ASP 95 7.350 8.768 -11.425 674 HA ASP 95 HA ASP 95 5.200 8.963 -13.300 675 1HB ASP 95 HB2 ASP 95 7.384 7.896 -13.832 676 2HB ASP 95 HB1 ASP 95 6.921 6.567 -12.774 677 H ALA 96 HN ALA 96 5.909 6.860 -10.560 678 HA ALA 96 HA ALA 96 3.638 5.173 -10.852 679 1HB ALA 96 HB1 ALA 96 5.713 4.480 -9.766 680 2HB ALA 96 HB2 ALA 96 4.305 4.246 -8.729 681 3HB ALA 96 HB3 ALA 96 5.391 5.608 -8.448 682 H TYR 97 HN TYR 97 4.246 8.087 -8.928 683 HA TYR 97 HA TYR 97 1.954 7.793 -7.274 684 1HB TYR 97 HB2 TYR 97 3.991 9.266 -6.864 685 2HB TYR 97 HB1 TYR 97 3.287 10.397 -8.012 686 HD1 TYR 97 HD1 TYR 97 2.827 8.790 -4.726 687 HD2 TYR 97 HD2 TYR 97 1.495 11.841 -7.374 688 HE1 TYR 97 HE1 TYR 97 1.537 9.803 -2.895 689 HE2 TYR 97 HE2 TYR 97 0.197 12.862 -5.552 690 HH TYR 97 HH TYR 97 0.634 12.041 -2.305 691 H VAL 98 HN VAL 98 2.572 9.748 -10.189 692 HA VAL 98 HA VAL 98 -0.075 10.719 -10.428 693 HB VAL 98 HB VAL 98 2.031 10.408 -12.577 694 1HG1 VAL 98 HG11 VAL 98 -0.207 10.677 -13.525 695 2HG1 VAL 98 HG12 VAL 98 0.774 12.121 -13.790 696 3HG1 VAL 98 HG13 VAL 98 -0.463 12.110 -12.531 697 1HG2 VAL 98 HG21 VAL 98 2.783 11.782 -10.712 698 2HG2 VAL 98 HG22 VAL 98 1.320 12.760 -10.826 699 3HG2 VAL 98 HG23 VAL 98 2.496 12.774 -12.142 700 H ASP 99 HN ASP 99 1.529 7.823 -11.616 701 HA ASP 99 HA ASP 99 -0.568 7.033 -13.388 702 1HB ASP 99 HB2 ASP 99 1.917 6.306 -13.375 703 2HB ASP 99 HB1 ASP 99 1.417 5.141 -12.157 704 H LEU 100 HN LEU 100 -0.104 6.869 -10.021 705 HA LEU 100 HA LEU 100 -1.707 4.628 -9.410 706 1HB LEU 100 HB2 LEU 100 -0.154 5.548 -7.803 707 2HB LEU 100 HB1 LEU 100 -0.999 7.081 -7.803 708 HG LEU 100 HG LEU 100 -2.547 4.682 -6.961 709 1HD1 LEU 100 HD11 LEU 100 -1.665 4.810 -4.699 710 2HD1 LEU 100 HD12 LEU 100 -0.498 6.031 -5.206 711 3HD1 LEU 100 HD13 LEU 100 -0.384 4.387 -5.835 712 1HD2 LEU 100 HD21 LEU 100 -2.360 7.539 -6.005 713 2HD2 LEU 100 HD22 LEU 100 -3.468 6.323 -5.373 714 3HD2 LEU 100 HD23 LEU 100 -3.613 6.863 -7.046 715 H ARG 101 HN ARG 101 -2.457 7.890 -10.304 716 HA ARG 101 HA ARG 101 -5.049 8.047 -9.217 717 1HB ARG 101 HB2 ARG 101 -3.823 9.445 -11.593 718 2HB ARG 101 HB1 ARG 101 -5.420 9.822 -10.960 719 1HG ARG 101 HG2 ARG 101 -2.848 10.026 -9.402 720 2HG ARG 101 HG1 ARG 101 -3.689 11.374 -10.172 721 1HD ARG 101 HD2 ARG 101 -4.782 9.611 -7.980 722 2HD ARG 101 HD1 ARG 101 -4.201 11.265 -7.793 723 HE ARG 101 HE ARG 101 -6.175 11.344 -9.731 724 1HH1 ARG 101 HH11 ARG 101 -5.929 10.524 -6.328 725 2HH1 ARG 101 HH12 ARG 101 -7.578 10.961 -5.985 726 1HH2 ARG 101 HH21 ARG 101 -8.344 11.898 -9.272 727 2HH2 ARG 101 HH22 ARG 101 -8.936 11.743 -7.639 728 HA PRO 102 HA PRO 102 -6.613 6.298 -13.539 729 1HB PRO 102 HB2 PRO 102 -4.127 4.841 -14.279 730 2HB PRO 102 HB1 PRO 102 -5.319 5.635 -15.316 731 1HG PRO 102 HG2 PRO 102 -2.956 6.765 -14.881 732 2HG PRO 102 HG1 PRO 102 -4.431 7.749 -14.941 733 1HD PRO 102 HD2 PRO 102 -2.848 6.842 -12.571 734 2HD PRO 102 HD1 PRO 102 -3.649 8.400 -12.866 735 H TRP 103 HN TRP 103 -4.099 4.582 -11.685 736 HA TRP 103 HA TRP 103 -5.207 2.023 -11.847 737 1HB TRP 103 HB2 TRP 103 -3.475 3.279 -9.713 738 2HB TRP 103 HB1 TRP 103 -3.939 1.583 -9.688 739 HD1 TRP 103 HD1 TRP 103 -3.549 1.373 -13.008 740 HE1 TRP 103 HE1 TRP 103 -1.141 1.079 -13.860 741 HE3 TRP 103 HE3 TRP 103 -1.012 3.035 -8.885 742 HZ2 TRP 103 HZ2 TRP 103 1.493 1.491 -12.911 743 HZ3 TRP 103 HZ3 TRP 103 1.447 3.054 -8.941 744 HH2 TRP 103 HH2 TRP 103 2.685 2.301 -10.913 745 H LEU 104 HN LEU 104 -5.726 4.544 -9.359 746 HA LEU 104 HA LEU 104 -7.565 2.938 -7.899 747 1HB LEU 104 HB2 LEU 104 -8.110 4.917 -6.615 748 2HB LEU 104 HB1 LEU 104 -6.383 4.714 -6.771 749 HG LEU 104 HG LEU 104 -6.646 6.457 -8.727 750 1HD1 LEU 104 HD11 LEU 104 -8.400 8.104 -8.275 751 2HD1 LEU 104 HD12 LEU 104 -9.065 7.054 -7.024 752 3HD1 LEU 104 HD13 LEU 104 -9.081 6.538 -8.710 753 1HD2 LEU 104 HD21 LEU 104 -6.238 8.252 -7.129 754 2HD2 LEU 104 HD22 LEU 104 -5.351 6.793 -6.689 755 3HD2 LEU 104 HD23 LEU 104 -6.821 7.226 -5.817 756 H LEU 105 HN LEU 105 -7.937 5.184 -10.559 757 HA LEU 105 HA LEU 105 -10.741 5.512 -10.359 758 1HB LEU 105 HB2 LEU 105 -8.882 5.681 -12.728 759 2HB LEU 105 HB1 LEU 105 -10.587 6.080 -12.809 760 HG LEU 105 HG LEU 105 -8.553 7.487 -11.075 761 1HD1 LEU 105 HD11 LEU 105 -8.207 7.932 -13.446 762 2HD1 LEU 105 HD12 LEU 105 -8.845 9.353 -12.621 763 3HD1 LEU 105 HD13 LEU 105 -9.909 8.365 -13.620 764 1HD2 LEU 105 HD21 LEU 105 -10.348 9.110 -10.694 765 2HD2 LEU 105 HD22 LEU 105 -10.776 7.509 -10.088 766 3HD2 LEU 105 HD23 LEU 105 -11.459 8.088 -11.608 767 H GLU 106 HN GLU 106 -8.694 3.088 -11.823 768 HA GLU 106 HA GLU 106 -10.700 1.760 -13.303 769 1HB GLU 106 HB2 GLU 106 -8.074 0.759 -12.206 770 2HB GLU 106 HB1 GLU 106 -9.077 -0.123 -13.351 771 1HG GLU 106 HG2 GLU 106 -8.826 1.717 -14.958 772 2HG GLU 106 HG1 GLU 106 -7.779 2.554 -13.807 773 H ILE 107 HN ILE 107 -9.360 1.164 -10.056 774 HA ILE 107 HA ILE 107 -11.047 -1.139 -9.677 775 HB ILE 107 HB ILE 107 -8.859 -1.095 -8.629 776 1HG1 ILE 107 HG12 ILE 107 -9.441 -1.739 -6.360 777 2HG1 ILE 107 HG11 ILE 107 -10.983 -0.905 -6.487 778 1HG2 ILE 107 HG21 ILE 107 -9.863 1.279 -7.076 779 2HG2 ILE 107 HG22 ILE 107 -8.597 1.282 -8.304 780 3HG2 ILE 107 HG23 ILE 107 -8.344 0.433 -6.780 781 1HD1 ILE 107 HD11 ILE 107 -11.695 -2.485 -8.205 782 2HD1 ILE 107 HD12 ILE 107 -11.243 -3.313 -6.715 783 3HD1 ILE 107 HD13 ILE 107 -10.140 -3.310 -8.090 784 H GLY 108 HN GLY 108 -11.184 2.261 -8.914 785 1HA GLY 108 HA2 GLY 108 -12.856 3.571 -8.032 786 2HA GLY 108 HA1 GLY 108 -13.904 2.477 -8.915 787 H PHE 109 HN PHE 109 -11.957 2.196 -5.933 788 HA PHE 109 HA PHE 109 -14.426 1.482 -4.514 789 1HB PHE 109 HB2 PHE 109 -13.037 -0.552 -5.227 790 2HB PHE 109 HB1 PHE 109 -11.839 -0.001 -4.061 791 HD1 PHE 109 HD1 PHE 109 -12.164 -0.306 -1.719 792 HD2 PHE 109 HD2 PHE 109 -15.261 -1.280 -4.470 793 HE1 PHE 109 HE1 PHE 109 -13.379 -1.478 0.069 794 HE2 PHE 109 HE2 PHE 109 -16.483 -2.455 -2.686 795 HZ PHE 109 HZ PHE 109 -15.541 -2.554 -0.412 796 H SER 110 HN SER 110 -14.440 1.983 -2.301 797 HA SER 110 HA SER 110 -12.145 3.225 -1.077 798 1HB SER 110 HB2 SER 110 -14.638 4.839 -1.678 799 2HB SER 110 HB1 SER 110 -13.334 5.360 -0.609 800 HG SER 110 HG SER 110 -12.431 4.525 -3.050 Start of MODEL 3 1 1H GLY 12 HT1 GLY 12 -9.702 11.402 3.602 2 2H GLY 12 HT2 GLY 12 -8.672 12.742 3.399 3 3H GLY 12 HT3 GLY 12 -9.857 12.758 4.612 4 1HA GLY 12 HA1 GLY 12 -7.557 10.896 4.526 5 2HA GLY 12 HA2 GLY 12 -7.635 12.353 5.508 6 H ALA 13 HN ALA 13 -10.636 10.780 5.130 7 HA ALA 13 HA ALA 13 -10.366 9.647 7.836 8 1HB ALA 13 HB1 ALA 13 -11.998 11.466 7.682 9 2HB ALA 13 HB2 ALA 13 -12.793 9.931 8.031 10 3HB ALA 13 HB3 ALA 13 -12.846 10.602 6.400 11 H MET 14 HN MET 14 -9.450 8.277 5.591 12 HA MET 14 HA MET 14 -9.457 6.226 4.639 13 1HB MET 14 HB2 MET 14 -10.242 5.296 6.736 14 2HB MET 14 HB1 MET 14 -11.900 5.738 6.347 15 1HG MET 14 HG2 MET 14 -11.791 4.210 4.396 16 2HG MET 14 HG1 MET 14 -10.192 3.704 4.937 17 1HE MET 14 HE1 MET 14 -13.997 3.902 5.873 18 2HE MET 14 HE2 MET 14 -13.214 4.612 7.285 19 3HE MET 14 HE3 MET 14 -14.027 3.053 7.420 20 H GLU 15 HN GLU 15 -12.473 7.970 4.712 21 HA GLU 15 HA GLU 15 -14.002 8.495 3.154 22 1HB GLU 15 HB2 GLU 15 -11.640 7.862 1.436 23 2HB GLU 15 HB1 GLU 15 -13.198 8.159 0.679 24 1HG GLU 15 HG2 GLU 15 -11.786 10.157 0.763 25 2HG GLU 15 HG1 GLU 15 -13.299 10.363 1.639 26 H SER 16 HN SER 16 -12.726 6.001 1.042 27 HA SER 16 HA SER 16 -14.775 4.116 1.843 28 1HB SER 16 HB2 SER 16 -15.689 3.991 -0.496 29 2HB SER 16 HB1 SER 16 -16.065 5.493 0.350 30 HG SER 16 HG SER 16 -14.534 6.556 -0.846 31 H HIS 17 HN HIS 17 -11.884 4.122 1.806 32 HA HIS 17 HA HIS 17 -10.104 2.825 1.197 33 1HB HIS 17 HB2 HIS 17 -12.378 1.052 0.328 34 2HB HIS 17 HB1 HIS 17 -10.706 0.590 0.039 35 HD1 HIS 17 HD1 HIS 17 -13.217 1.036 2.807 36 HD2 HIS 17 HD2 HIS 17 -9.300 -0.262 2.271 37 HE1 HIS 17 HE1 HIS 17 -12.566 -0.086 4.962 38 HE2 HIS 17 HE2 HIS 17 -10.282 -1.067 4.520 39 HA PRO 18 HA PRO 18 -10.617 4.521 -3.100 40 1HB PRO 18 HB2 PRO 18 -8.842 6.548 -2.979 41 2HB PRO 18 HB1 PRO 18 -10.496 6.695 -2.386 42 1HG PRO 18 HG2 PRO 18 -7.972 6.272 -0.858 43 2HG PRO 18 HG1 PRO 18 -9.383 7.260 -0.445 44 1HD PRO 18 HD2 PRO 18 -8.869 4.744 0.570 45 2HD PRO 18 HD1 PRO 18 -10.472 5.500 0.509 46 H HIS 19 HN HIS 19 -7.300 5.417 -2.361 47 HA HIS 19 HA HIS 19 -6.481 3.741 -4.526 48 1HB HIS 19 HB2 HIS 19 -4.100 4.597 -3.855 49 2HB HIS 19 HB1 HIS 19 -5.229 5.623 -4.721 50 HD1 HIS 19 HD1 HIS 19 -2.746 6.136 -2.503 51 HD2 HIS 19 HD2 HIS 19 -6.807 7.032 -2.285 52 HE1 HIS 19 HE1 HIS 19 -2.934 8.068 -0.911 53 HE2 HIS 19 HE2 HIS 19 -5.404 8.463 -0.653 54 H ILE 20 HN ILE 20 -6.347 3.514 -1.042 55 HA ILE 20 HA ILE 20 -4.530 1.440 -0.772 56 HB ILE 20 HB ILE 20 -6.349 0.561 0.987 57 1HG1 ILE 20 HG12 ILE 20 -7.076 3.467 0.588 58 2HG1 ILE 20 HG11 ILE 20 -8.117 2.083 0.264 59 1HG2 ILE 20 HG21 ILE 20 -5.337 2.067 2.657 60 2HG2 ILE 20 HG22 ILE 20 -4.602 2.981 1.339 61 3HG2 ILE 20 HG23 ILE 20 -4.156 1.294 1.597 62 1HD1 ILE 20 HD11 ILE 20 -7.040 2.839 2.978 63 2HD1 ILE 20 HD12 ILE 20 -8.162 1.527 2.616 64 3HD1 ILE 20 HD13 ILE 20 -8.659 3.202 2.378 65 H GLN 21 HN GLN 21 -7.909 1.278 -1.815 66 HA GLN 21 HA GLN 21 -8.033 -1.556 -1.863 67 1HB GLN 21 HB2 GLN 21 -9.891 0.397 -2.069 68 2HB GLN 21 HB1 GLN 21 -9.721 -0.043 -3.761 69 1HG GLN 21 HG2 GLN 21 -11.510 -1.312 -2.889 70 2HG GLN 21 HG1 GLN 21 -10.154 -2.416 -3.104 71 1HE2 GLN 21 HE21 GLN 21 -8.723 -1.610 -0.726 72 2HE2 GLN 21 HE22 GLN 21 -9.623 -2.192 0.630 73 H LEU 22 HN LEU 22 -7.457 0.901 -4.371 74 HA LEU 22 HA LEU 22 -7.081 -0.817 -6.504 75 1HB LEU 22 HB2 LEU 22 -7.318 1.554 -6.807 76 2HB LEU 22 HB1 LEU 22 -5.857 1.871 -5.905 77 HG LEU 22 HG LEU 22 -5.819 2.091 -8.482 78 1HD1 LEU 22 HD11 LEU 22 -3.698 0.481 -7.075 79 2HD1 LEU 22 HD12 LEU 22 -3.818 2.241 -7.118 80 3HD1 LEU 22 HD13 LEU 22 -3.498 1.341 -8.602 81 1HD2 LEU 22 HD21 LEU 22 -5.251 0.041 -9.686 82 2HD2 LEU 22 HD22 LEU 22 -6.877 -0.035 -9.005 83 3HD2 LEU 22 HD23 LEU 22 -5.553 -0.901 -8.225 84 H LEU 23 HN LEU 23 -4.651 0.452 -4.214 85 HA LEU 23 HA LEU 23 -2.425 -0.609 -5.452 86 1HB LEU 23 HB2 LEU 23 -3.062 0.406 -2.761 87 2HB LEU 23 HB1 LEU 23 -1.645 -0.624 -2.870 88 HG LEU 23 HG LEU 23 -0.840 0.894 -4.718 89 1HD1 LEU 23 HD11 LEU 23 -2.915 1.982 -5.286 90 2HD1 LEU 23 HD12 LEU 23 -1.714 3.167 -4.772 91 3HD1 LEU 23 HD13 LEU 23 -3.006 2.686 -3.673 92 1HD2 LEU 23 HD21 LEU 23 0.029 2.562 -3.164 93 2HD2 LEU 23 HD22 LEU 23 0.087 0.942 -2.470 94 3HD2 LEU 23 HD23 LEU 23 -1.172 2.072 -1.971 95 H LYS 24 HN LYS 24 -4.544 -2.167 -3.026 96 HA LYS 24 HA LYS 24 -2.850 -4.463 -2.901 97 1HB LYS 24 HB2 LYS 24 -4.528 -5.559 -1.619 98 2HB LYS 24 HB1 LYS 24 -4.411 -3.895 -1.068 99 1HG LYS 24 HG2 LYS 24 -6.552 -3.511 -1.512 100 2HG LYS 24 HG1 LYS 24 -6.448 -4.246 -3.118 101 1HD LYS 24 HD2 LYS 24 -6.669 -5.776 -0.521 102 2HD LYS 24 HD1 LYS 24 -8.025 -5.415 -1.593 103 1HE LYS 24 HE2 LYS 24 -7.244 -6.824 -3.265 104 2HE LYS 24 HE1 LYS 24 -5.598 -6.795 -2.649 105 1HZ LYS 24 HZ1 LYS 24 -6.038 -8.404 -1.115 106 2HZ LYS 24 HZ2 LYS 24 -7.168 -8.856 -2.302 107 3HZ LYS 24 HZ3 LYS 24 -7.671 -7.972 -0.947 108 H SER 25 HN SER 25 -5.609 -3.567 -4.891 109 HA SER 25 HA SER 25 -6.106 -6.099 -6.000 110 1HB SER 25 HB2 SER 25 -6.492 -3.375 -7.262 111 2HB SER 25 HB1 SER 25 -7.244 -4.877 -7.801 112 HG SER 25 HG SER 25 -8.640 -4.753 -6.228 113 H ASN 26 HN ASN 26 -3.965 -3.471 -7.076 114 HA ASN 26 HA ASN 26 -2.786 -5.378 -8.976 115 1HB ASN 26 HB2 ASN 26 -1.991 -3.593 -10.295 116 2HB ASN 26 HB1 ASN 26 -3.631 -3.153 -9.858 117 1HD2 ASN 26 HD21 ASN 26 -2.883 -2.263 -7.155 118 2HD2 ASN 26 HD22 ASN 26 -2.057 -0.767 -7.376 119 H ARG 27 HN ARG 27 -2.283 -5.642 -6.277 120 HA ARG 27 HA ARG 27 0.027 -4.465 -5.285 121 1HB ARG 27 HB2 ARG 27 -1.472 -6.940 -4.744 122 2HB ARG 27 HB1 ARG 27 0.223 -6.984 -4.283 123 1HG ARG 27 HG2 ARG 27 -1.742 -4.885 -3.401 124 2HG ARG 27 HG1 ARG 27 -1.279 -6.298 -2.453 125 1HD ARG 27 HD2 ARG 27 0.188 -4.805 -1.573 126 2HD ARG 27 HD1 ARG 27 1.153 -5.346 -2.946 127 HE ARG 27 HE ARG 27 -0.369 -3.179 -3.801 128 1HH1 ARG 27 HH11 ARG 27 2.269 -3.865 -1.610 129 2HH1 ARG 27 HH12 ARG 27 2.865 -2.242 -1.601 130 1HH2 ARG 27 HH21 ARG 27 0.412 -1.020 -3.785 131 2HH2 ARG 27 HH22 ARG 27 1.802 -0.617 -2.837 132 H GLU 28 HN GLU 28 -0.316 -7.404 -7.256 133 HA GLU 28 HA GLU 28 2.353 -8.221 -7.124 134 1HB GLU 28 HB2 GLU 28 0.338 -8.623 -9.336 135 2HB GLU 28 HB1 GLU 28 1.869 -9.476 -9.216 136 1HG GLU 28 HG2 GLU 28 1.151 -10.435 -7.076 137 2HG GLU 28 HG1 GLU 28 -0.399 -9.609 -7.242 138 H LEU 29 HN LEU 29 0.760 -5.945 -9.276 139 HA LEU 29 HA LEU 29 2.880 -5.574 -11.085 140 1HB LEU 29 HB2 LEU 29 0.580 -4.780 -11.476 141 2HB LEU 29 HB1 LEU 29 0.771 -3.605 -10.188 142 HG LEU 29 HG LEU 29 2.565 -2.507 -11.500 143 1HD1 LEU 29 HD11 LEU 29 1.763 -4.474 -13.635 144 2HD1 LEU 29 HD12 LEU 29 3.316 -4.411 -12.800 145 3HD1 LEU 29 HD13 LEU 29 2.831 -3.090 -13.863 146 1HD2 LEU 29 HD21 LEU 29 -0.077 -2.808 -12.921 147 2HD2 LEU 29 HD22 LEU 29 1.090 -1.512 -13.185 148 3HD2 LEU 29 HD23 LEU 29 0.288 -1.673 -11.624 149 H LEU 30 HN LEU 30 1.980 -3.825 -8.134 150 HA LEU 30 HA LEU 30 4.218 -2.074 -8.225 151 1HB LEU 30 HB2 LEU 30 2.134 -2.703 -6.182 152 2HB LEU 30 HB1 LEU 30 3.547 -1.769 -5.718 153 HG LEU 30 HG LEU 30 3.000 -0.054 -7.372 154 1HD1 LEU 30 HD11 LEU 30 0.894 -0.111 -8.598 155 2HD1 LEU 30 HD12 LEU 30 0.577 -1.736 -7.989 156 3HD1 LEU 30 HD13 LEU 30 1.946 -1.448 -9.065 157 1HD2 LEU 30 HD21 LEU 30 2.075 0.143 -5.135 158 2HD2 LEU 30 HD22 LEU 30 0.661 -0.789 -5.624 159 3HD2 LEU 30 HD23 LEU 30 0.961 0.795 -6.336 160 H VAL 31 HN VAL 31 3.678 -5.226 -6.769 161 HA VAL 31 HA VAL 31 5.914 -5.271 -5.060 162 HB VAL 31 HB VAL 31 4.568 -7.568 -6.503 163 1HG1 VAL 31 HG11 VAL 31 6.527 -7.646 -4.207 164 2HG1 VAL 31 HG12 VAL 31 6.857 -8.167 -5.861 165 3HG1 VAL 31 HG13 VAL 31 5.667 -9.031 -4.884 166 1HG2 VAL 31 HG21 VAL 31 3.114 -6.375 -4.949 167 2HG2 VAL 31 HG22 VAL 31 4.312 -6.570 -3.668 168 3HG2 VAL 31 HG23 VAL 31 3.503 -7.986 -4.343 169 H THR 32 HN THR 32 5.524 -6.414 -8.406 170 HA THR 32 HA THR 32 8.257 -7.128 -8.685 171 HB THR 32 HB THR 32 6.396 -8.130 -10.030 172 HG1 THR 32 HG1 THR 32 8.724 -8.139 -10.606 173 1HG2 THR 32 HG21 THR 32 5.203 -6.075 -10.627 174 2HG2 THR 32 HG22 THR 32 5.668 -6.983 -12.066 175 3HG2 THR 32 HG23 THR 32 6.583 -5.551 -11.593 176 H HIS 33 HN HIS 33 6.489 -4.174 -9.146 177 HA HIS 33 HA HIS 33 7.814 -2.770 -11.038 178 1HB HIS 33 HB2 HIS 33 6.442 -2.007 -8.531 179 2HB HIS 33 HB1 HIS 33 7.517 -0.763 -9.210 180 HD1 HIS 33 HD1 HIS 33 6.973 -1.300 -12.234 181 HD2 HIS 33 HD2 HIS 33 4.012 -0.993 -9.322 182 HE1 HIS 33 HE1 HIS 33 4.880 -0.627 -13.455 183 HE2 HIS 33 HE2 HIS 33 3.080 -0.582 -11.699 184 H ILE 34 HN ILE 34 8.801 -2.503 -7.612 185 HA ILE 34 HA ILE 34 11.574 -2.404 -8.528 186 HB ILE 34 HB ILE 34 10.268 -0.248 -6.879 187 1HG1 ILE 34 HG12 ILE 34 10.278 0.008 -9.340 188 2HG1 ILE 34 HG11 ILE 34 11.238 1.245 -8.535 189 1HG2 ILE 34 HG21 ILE 34 12.494 0.675 -6.450 190 2HG2 ILE 34 HG22 ILE 34 13.223 -0.746 -7.198 191 3HG2 ILE 34 HG23 ILE 34 12.294 -0.912 -5.707 192 1HD1 ILE 34 HD11 ILE 34 13.274 0.043 -9.108 193 2HD1 ILE 34 HD12 ILE 34 12.325 0.418 -10.548 194 3HD1 ILE 34 HD13 ILE 34 12.319 -1.217 -9.888 195 H ARG 35 HN ARG 35 9.751 -1.992 -5.457 196 HA ARG 35 HA ARG 35 11.348 -4.212 -4.394 197 1HB ARG 35 HB2 ARG 35 11.216 -1.448 -3.213 198 2HB ARG 35 HB1 ARG 35 11.652 -2.851 -2.250 199 1HG ARG 35 HG2 ARG 35 13.119 -2.015 -4.745 200 2HG ARG 35 HG1 ARG 35 13.574 -1.513 -3.118 201 1HD ARG 35 HD2 ARG 35 14.927 -3.392 -3.779 202 2HD ARG 35 HD1 ARG 35 13.833 -3.889 -2.491 203 HE ARG 35 HE ARG 35 12.966 -4.413 -5.224 204 1HH1 ARG 35 HH11 ARG 35 14.500 -5.647 -2.334 205 2HH1 ARG 35 HH12 ARG 35 14.156 -7.312 -2.699 206 1HH2 ARG 35 HH21 ARG 35 12.498 -6.595 -5.716 207 2HH2 ARG 35 HH22 ARG 35 13.003 -7.849 -4.624 208 H ASN 36 HN ASN 36 8.607 -2.052 -3.928 209 HA ASN 36 HA ASN 36 6.540 -2.381 -3.073 210 1HB ASN 36 HB2 ASN 36 6.219 -4.461 -4.092 211 2HB ASN 36 HB1 ASN 36 7.459 -5.242 -3.118 212 1HD2 ASN 36 HD21 ASN 36 6.927 -6.112 -1.178 213 2HD2 ASN 36 HD22 ASN 36 5.318 -6.170 -0.556 214 H THR 37 HN THR 37 9.075 -4.091 -1.283 215 HA THR 37 HA THR 37 7.834 -4.286 1.202 216 HB THR 37 HB THR 37 10.163 -4.518 2.098 217 HG1 THR 37 HG1 THR 37 11.805 -3.899 0.912 218 1HG2 THR 37 HG21 THR 37 9.500 -6.080 -0.402 219 2HG2 THR 37 HG22 THR 37 8.983 -6.466 1.239 220 3HG2 THR 37 HG23 THR 37 10.691 -6.556 0.808 221 H GLN 38 HN GLN 38 9.185 -1.504 -0.302 222 HA GLN 38 HA GLN 38 9.947 -0.007 1.935 223 1HB GLN 38 HB2 GLN 38 8.706 1.015 -0.625 224 2HB GLN 38 HB1 GLN 38 9.622 1.970 0.531 225 1HG GLN 38 HG2 GLN 38 10.651 -0.262 -1.201 226 2HG GLN 38 HG1 GLN 38 11.022 1.456 -1.332 227 1HE2 GLN 38 HE21 GLN 38 11.634 -1.483 0.397 228 2HE2 GLN 38 HE22 GLN 38 12.991 -0.909 1.300 229 H CYS 39 HN CYS 39 6.849 -0.804 0.629 230 HA CYS 39 HA CYS 39 5.218 1.103 1.849 231 1HB CYS 39 HB2 CYS 39 4.260 -0.241 0.170 232 2HB CYS 39 HB1 CYS 39 4.805 -1.731 0.924 233 HG CYS 39 HG CYS 39 2.678 -0.021 2.838 234 H LEU 40 HN LEU 40 6.308 -2.056 3.066 235 HA LEU 40 HA LEU 40 4.678 -1.836 5.381 236 1HB LEU 40 HB2 LEU 40 6.076 -3.839 6.155 237 2HB LEU 40 HB1 LEU 40 4.956 -4.002 4.815 238 HG LEU 40 HG LEU 40 7.157 -3.465 3.399 239 1HD1 LEU 40 HD11 LEU 40 8.205 -4.781 5.914 240 2HD1 LEU 40 HD12 LEU 40 8.579 -3.150 5.361 241 3HD1 LEU 40 HD13 LEU 40 9.110 -4.542 4.420 242 1HD2 LEU 40 HD21 LEU 40 6.493 -6.164 4.595 243 2HD2 LEU 40 HD22 LEU 40 7.472 -5.889 3.154 244 3HD2 LEU 40 HD23 LEU 40 5.763 -5.453 3.157 245 H VAL 41 HN VAL 41 8.034 -1.052 4.707 246 HA VAL 41 HA VAL 41 8.808 -0.887 7.423 247 HB VAL 41 HB VAL 41 10.696 0.575 6.577 248 1HG1 VAL 41 HG11 VAL 41 11.774 -1.362 5.407 249 2HG1 VAL 41 HG12 VAL 41 10.217 -2.188 5.470 250 3HG1 VAL 41 HG13 VAL 41 11.048 -1.755 6.964 251 1HG2 VAL 41 HG21 VAL 41 9.574 1.408 4.564 252 2HG2 VAL 41 HG22 VAL 41 9.533 -0.233 3.918 253 3HG2 VAL 41 HG23 VAL 41 11.081 0.575 4.173 254 H ASP 42 HN ASP 42 7.581 1.629 5.192 255 HA ASP 42 HA ASP 42 7.735 3.711 7.129 256 1HB ASP 42 HB2 ASP 42 6.103 4.918 5.705 257 2HB ASP 42 HB1 ASP 42 7.473 4.301 4.792 258 H ASN 43 HN ASN 43 5.413 1.192 6.513 259 HA ASN 43 HA ASN 43 3.382 2.256 8.206 260 1HB ASN 43 HB2 ASN 43 2.320 0.689 6.973 261 2HB ASN 43 HB1 ASN 43 3.810 -0.189 6.622 262 1HD2 ASN 43 HD21 ASN 43 4.456 -1.831 7.957 263 2HD2 ASN 43 HD22 ASN 43 3.395 -2.571 9.106 264 H LEU 44 HN LEU 44 6.158 0.170 8.641 265 HA LEU 44 HA LEU 44 5.298 -0.738 11.220 266 1HB LEU 44 HB2 LEU 44 7.295 -1.991 11.336 267 2HB LEU 44 HB1 LEU 44 6.669 -2.138 9.721 268 HG LEU 44 HG LEU 44 8.422 -0.314 9.126 269 1HD1 LEU 44 HD11 LEU 44 9.070 0.249 11.402 270 2HD1 LEU 44 HD12 LEU 44 10.438 -0.403 10.510 271 3HD1 LEU 44 HD13 LEU 44 9.587 -1.408 11.684 272 1HD2 LEU 44 HD21 LEU 44 9.212 -3.118 9.864 273 2HD2 LEU 44 HD22 LEU 44 10.102 -2.052 8.779 274 3HD2 LEU 44 HD23 LEU 44 8.486 -2.609 8.342 275 H LEU 45 HN LEU 45 7.452 1.696 9.964 276 HA LEU 45 HA LEU 45 8.469 2.605 12.412 277 1HB LEU 45 HB2 LEU 45 9.612 3.602 10.742 278 2HB LEU 45 HB1 LEU 45 8.267 3.522 9.639 279 HG LEU 45 HG LEU 45 9.209 5.797 10.082 280 1HD1 LEU 45 HD11 LEU 45 6.331 5.104 10.307 281 2HD1 LEU 45 HD12 LEU 45 7.212 5.967 9.039 282 3HD1 LEU 45 HD13 LEU 45 6.824 6.784 10.553 283 1HD2 LEU 45 HD21 LEU 45 7.905 5.459 12.773 284 2HD2 LEU 45 HD22 LEU 45 8.497 6.980 12.111 285 3HD2 LEU 45 HD23 LEU 45 9.626 5.670 12.451 286 H LYS 46 HN LYS 46 5.478 3.341 10.688 287 HA LYS 46 HA LYS 46 4.679 5.373 12.512 288 1HB LYS 46 HB2 LYS 46 4.063 5.303 10.114 289 2HB LYS 46 HB1 LYS 46 3.046 3.905 10.448 290 1HG LYS 46 HG2 LYS 46 1.784 6.019 10.331 291 2HG LYS 46 HG1 LYS 46 1.624 5.192 11.880 292 1HD LYS 46 HD2 LYS 46 1.925 7.534 12.297 293 2HD LYS 46 HD1 LYS 46 3.386 6.676 12.792 294 1HE LYS 46 HE2 LYS 46 4.496 7.327 10.732 295 2HE LYS 46 HE1 LYS 46 3.029 8.140 10.179 296 1HZ LYS 46 HZ1 LYS 46 3.236 9.774 11.832 297 2HZ LYS 46 HZ2 LYS 46 4.804 9.588 11.211 298 3HZ LYS 46 HZ3 LYS 46 4.394 8.888 12.701 299 H ASN 47 HN ASN 47 3.832 1.947 12.130 300 HA ASN 47 HA ASN 47 1.815 2.248 14.241 301 1HB ASN 47 HB2 ASN 47 2.313 0.105 12.184 302 2HB ASN 47 HB1 ASN 47 1.176 -0.111 13.511 303 1HD2 ASN 47 HD21 ASN 47 0.897 0.138 10.510 304 2HD2 ASN 47 HD22 ASN 47 -0.311 1.357 10.304 305 H ASP 48 HN ASP 48 4.946 1.070 13.772 306 HA ASP 48 HA ASP 48 6.483 0.136 15.128 307 1HB ASP 48 HB2 ASP 48 5.625 2.042 16.548 308 2HB ASP 48 HB1 ASP 48 4.649 0.859 17.411 309 H TYR 49 HN TYR 49 4.194 -1.664 14.236 310 HA TYR 49 HA TYR 49 5.347 -3.923 15.441 311 1HB TYR 49 HB2 TYR 49 3.620 -4.887 16.734 312 2HB TYR 49 HB1 TYR 49 3.868 -3.257 17.337 313 HD1 TYR 49 HD1 TYR 49 2.156 -1.521 16.943 314 HD2 TYR 49 HD2 TYR 49 1.533 -5.561 15.770 315 HE1 TYR 49 HE1 TYR 49 -0.256 -1.095 16.775 316 HE2 TYR 49 HE2 TYR 49 -0.882 -5.141 15.589 317 HH TYR 49 HH TYR 49 -2.217 -1.992 15.659 318 H PHE 50 HN PHE 50 2.983 -2.555 13.325 319 HA PHE 50 HA PHE 50 2.250 -5.039 12.057 320 1HB PHE 50 HB2 PHE 50 1.976 -2.133 11.322 321 2HB PHE 50 HB1 PHE 50 1.600 -3.398 10.158 322 HD1 PHE 50 HD1 PHE 50 0.196 -1.246 12.414 323 HD2 PHE 50 HD2 PHE 50 0.105 -5.361 11.318 324 HE1 PHE 50 HE1 PHE 50 -2.053 -1.465 13.396 325 HE2 PHE 50 HE2 PHE 50 -2.139 -5.580 12.299 326 HZ PHE 50 HZ PHE 50 -3.237 -3.640 13.301 327 H SER 51 HN SER 51 5.053 -4.522 12.482 328 HA SER 51 HA SER 51 6.331 -3.827 10.053 329 1HB SER 51 HB2 SER 51 8.302 -4.940 11.383 330 2HB SER 51 HB1 SER 51 7.629 -3.397 11.918 331 HG SER 51 HG SER 51 7.825 -5.584 13.314 332 H ALA 52 HN ALA 52 8.138 -5.487 9.388 333 HA ALA 52 HA ALA 52 7.036 -7.490 7.884 334 1HB ALA 52 HB1 ALA 52 9.275 -8.384 7.613 335 2HB ALA 52 HB2 ALA 52 9.826 -7.472 9.020 336 3HB ALA 52 HB3 ALA 52 9.297 -6.622 7.569 337 H GLU 53 HN GLU 53 8.062 -7.702 11.264 338 HA GLU 53 HA GLU 53 7.960 -10.499 11.546 339 1HB GLU 53 HB2 GLU 53 7.180 -8.455 13.640 340 2HB GLU 53 HB1 GLU 53 7.659 -10.118 13.932 341 1HG GLU 53 HG2 GLU 53 9.528 -8.849 14.490 342 2HG GLU 53 HG1 GLU 53 9.892 -9.496 12.892 343 H ASP 54 HN ASP 54 5.430 -8.058 12.101 344 HA ASP 54 HA ASP 54 3.355 -9.940 12.623 345 1HB ASP 54 HB2 ASP 54 3.046 -7.728 13.454 346 2HB ASP 54 HB1 ASP 54 3.355 -7.010 11.878 347 H ALA 55 HN ALA 55 4.417 -8.149 9.816 348 HA ALA 55 HA ALA 55 2.534 -8.961 7.977 349 1HB ALA 55 HB1 ALA 55 5.456 -8.530 7.376 350 2HB ALA 55 HB2 ALA 55 4.297 -7.226 7.614 351 3HB ALA 55 HB3 ALA 55 4.100 -8.350 6.269 352 H GLU 56 HN GLU 56 5.526 -10.572 8.973 353 HA GLU 56 HA GLU 56 5.570 -12.660 7.130 354 1HB GLU 56 HB2 GLU 56 7.434 -12.106 8.637 355 2HB GLU 56 HB1 GLU 56 6.493 -12.662 10.013 356 1HG GLU 56 HG2 GLU 56 7.982 -14.398 9.514 357 2HG GLU 56 HG1 GLU 56 6.419 -14.919 8.889 358 H ILE 57 HN ILE 57 3.997 -12.465 10.308 359 HA ILE 57 HA ILE 57 3.198 -15.149 10.463 360 HB ILE 57 HB ILE 57 1.678 -12.819 11.637 361 1HG1 ILE 57 HG12 ILE 57 3.971 -12.500 12.271 362 2HG1 ILE 57 HG11 ILE 57 3.130 -13.185 13.657 363 1HG2 ILE 57 HG21 ILE 57 0.548 -14.974 11.790 364 2HG2 ILE 57 HG22 ILE 57 1.062 -14.415 13.380 365 3HG2 ILE 57 HG23 ILE 57 1.974 -15.677 12.553 366 1HD1 ILE 57 HD11 ILE 57 4.985 -14.598 11.763 367 2HD1 ILE 57 HD12 ILE 57 4.031 -15.412 13.005 368 3HD1 ILE 57 HD13 ILE 57 5.259 -14.233 13.467 369 H VAL 58 HN VAL 58 1.366 -12.307 9.353 370 HA VAL 58 HA VAL 58 -0.921 -13.830 8.596 371 HB VAL 58 HB VAL 58 -0.154 -11.010 7.841 372 1HG1 VAL 58 HG11 VAL 58 -2.862 -12.330 7.706 373 2HG1 VAL 58 HG12 VAL 58 -1.826 -12.015 6.318 374 3HG1 VAL 58 HG13 VAL 58 -2.468 -10.671 7.260 375 1HG2 VAL 58 HG21 VAL 58 -1.934 -12.061 10.034 376 2HG2 VAL 58 HG22 VAL 58 -1.703 -10.361 9.626 377 3HG2 VAL 58 HG23 VAL 58 -0.351 -11.312 10.240 378 H CYS 59 HN CYS 59 1.906 -12.632 6.857 379 HA CYS 59 HA CYS 59 0.902 -12.732 4.259 380 1HB CYS 59 HB2 CYS 59 3.117 -12.532 3.473 381 2HB CYS 59 HB1 CYS 59 3.077 -11.677 5.009 382 HG CYS 59 HG CYS 59 4.173 -14.016 6.358 383 H ALA 60 HN ALA 60 1.818 -15.314 6.315 384 HA ALA 60 HA ALA 60 2.682 -17.334 4.730 385 1HB ALA 60 HB1 ALA 60 2.302 -17.545 7.134 386 2HB ALA 60 HB2 ALA 60 1.586 -18.888 6.245 387 3HB ALA 60 HB3 ALA 60 0.561 -17.590 6.857 388 H CYS 61 HN CYS 61 -0.616 -16.025 4.753 389 HA CYS 61 HA CYS 61 -1.329 -18.077 2.775 390 1HB CYS 61 HB2 CYS 61 -2.767 -17.939 4.798 391 2HB CYS 61 HB1 CYS 61 -3.224 -16.307 4.320 392 HG CYS 61 HG CYS 61 -4.376 -19.233 3.250 393 HA PRO 62 HA PRO 62 -2.790 -14.229 0.431 394 1HB PRO 62 HB2 PRO 62 -2.689 -11.825 1.997 395 2HB PRO 62 HB1 PRO 62 -4.110 -12.686 1.414 396 1HG PRO 62 HG2 PRO 62 -3.431 -12.472 4.058 397 2HG PRO 62 HG1 PRO 62 -4.392 -13.805 3.390 398 1HD PRO 62 HD2 PRO 62 -1.461 -13.713 4.023 399 2HD PRO 62 HD1 PRO 62 -2.644 -15.000 4.353 400 H THR 63 HN THR 63 0.031 -14.632 1.612 401 HA THR 63 HA THR 63 2.155 -14.000 1.328 402 HB THR 63 HB THR 63 2.784 -12.915 -0.829 403 HG1 THR 63 HG1 THR 63 0.082 -12.423 -0.896 404 1HG2 THR 63 HG21 THR 63 2.646 -15.330 -0.651 405 2HG2 THR 63 HG22 THR 63 2.075 -14.807 -2.237 406 3HG2 THR 63 HG23 THR 63 0.916 -15.279 -0.993 407 H GLN 64 HN GLN 64 3.562 -11.869 0.571 408 HA GLN 64 HA GLN 64 3.140 -10.115 2.740 409 1HB GLN 64 HB2 GLN 64 5.011 -9.991 0.394 410 2HB GLN 64 HB1 GLN 64 4.997 -8.766 1.655 411 1HG GLN 64 HG2 GLN 64 5.525 -10.461 3.323 412 2HG GLN 64 HG1 GLN 64 5.512 -11.702 2.072 413 1HE2 GLN 64 HE21 GLN 64 7.648 -12.244 2.554 414 2HE2 GLN 64 HE22 GLN 64 8.972 -11.244 2.051 415 HA PRO 65 HA PRO 65 1.909 -6.872 -0.678 416 1HB PRO 65 HB2 PRO 65 0.358 -8.050 -2.636 417 2HB PRO 65 HB1 PRO 65 2.029 -7.505 -2.814 418 1HG PRO 65 HG2 PRO 65 0.959 -10.244 -2.317 419 2HG PRO 65 HG1 PRO 65 2.333 -9.733 -3.317 420 1HD PRO 65 HD2 PRO 65 2.688 -10.829 -0.898 421 2HD PRO 65 HD1 PRO 65 3.746 -9.536 -1.503 422 H ASP 66 HN ASP 66 -0.333 -9.683 -0.124 423 HA ASP 66 HA ASP 66 -2.534 -7.885 0.220 424 1HB ASP 66 HB2 ASP 66 -2.431 -10.595 -0.069 425 2HB ASP 66 HB1 ASP 66 -2.705 -10.439 1.663 426 H LYS 67 HN LYS 67 -0.089 -9.225 2.297 427 HA LYS 67 HA LYS 67 -1.197 -8.582 4.785 428 1HB LYS 67 HB2 LYS 67 0.718 -10.055 4.610 429 2HB LYS 67 HB1 LYS 67 1.705 -8.739 3.944 430 1HG LYS 67 HG2 LYS 67 2.198 -9.162 6.310 431 2HG LYS 67 HG1 LYS 67 1.557 -7.538 6.043 432 1HD LYS 67 HD2 LYS 67 -0.659 -8.289 6.747 433 2HD LYS 67 HD1 LYS 67 -0.027 -9.914 7.012 434 1HE LYS 67 HE2 LYS 67 -0.266 -8.555 9.085 435 2HE LYS 67 HE1 LYS 67 1.368 -9.143 8.810 436 1HZ LYS 67 HZ1 LYS 67 1.224 -6.811 9.553 437 2HZ LYS 67 HZ2 LYS 67 0.464 -6.418 8.084 438 3HZ LYS 67 HZ3 LYS 67 2.048 -7.011 8.082 439 H VAL 68 HN VAL 68 0.787 -6.634 2.565 440 HA VAL 68 HA VAL 68 0.890 -4.394 4.304 441 HB VAL 68 HB VAL 68 1.588 -3.035 2.423 442 1HG1 VAL 68 HG11 VAL 68 2.849 -5.750 2.616 443 2HG1 VAL 68 HG12 VAL 68 3.315 -4.268 3.450 444 3HG1 VAL 68 HG13 VAL 68 3.567 -4.419 1.709 445 1HG2 VAL 68 HG21 VAL 68 0.136 -3.902 0.685 446 2HG2 VAL 68 HG22 VAL 68 1.006 -5.436 0.701 447 3HG2 VAL 68 HG23 VAL 68 1.823 -3.962 0.174 448 H ARG 69 HN ARG 69 -1.404 -5.399 1.809 449 HA ARG 69 HA ARG 69 -3.114 -3.224 1.877 450 1HB ARG 69 HB2 ARG 69 -3.632 -4.938 0.346 451 2HB ARG 69 HB1 ARG 69 -3.601 -6.175 1.586 452 1HG ARG 69 HG2 ARG 69 -5.865 -5.600 0.658 453 2HG ARG 69 HG1 ARG 69 -5.721 -5.552 2.417 454 1HD ARG 69 HD2 ARG 69 -6.923 -3.637 1.014 455 2HD ARG 69 HD1 ARG 69 -6.045 -3.306 2.506 456 HE ARG 69 HE ARG 69 -4.707 -3.033 -0.095 457 1HH1 ARG 69 HH11 ARG 69 -6.013 -1.601 2.800 458 2HH1 ARG 69 HH12 ARG 69 -5.013 -0.182 2.708 459 1HH2 ARG 69 HH21 ARG 69 -3.371 -1.167 -0.232 460 2HH2 ARG 69 HH22 ARG 69 -3.508 0.070 0.970 461 H LYS 70 HN LYS 70 -2.917 -5.961 4.120 462 HA LYS 70 HA LYS 70 -5.016 -5.152 5.784 463 1HB LYS 70 HB2 LYS 70 -4.420 -7.334 6.110 464 2HB LYS 70 HB1 LYS 70 -2.699 -6.996 6.062 465 1HG LYS 70 HG2 LYS 70 -4.092 -5.807 8.353 466 2HG LYS 70 HG1 LYS 70 -4.106 -7.575 8.309 467 1HD LYS 70 HD2 LYS 70 -1.658 -7.527 7.933 468 2HD LYS 70 HD1 LYS 70 -1.694 -5.780 8.140 469 1HE LYS 70 HE2 LYS 70 -0.977 -7.108 10.157 470 2HE LYS 70 HE1 LYS 70 -2.306 -5.965 10.418 471 1HZ LYS 70 HZ1 LYS 70 -2.872 -7.975 11.509 472 2HZ LYS 70 HZ2 LYS 70 -2.497 -8.916 10.157 473 3HZ LYS 70 HZ3 LYS 70 -3.849 -7.905 10.126 474 H ILE 71 HN ILE 71 -1.533 -4.356 5.944 475 HA ILE 71 HA ILE 71 -1.815 -2.975 8.417 476 HB ILE 71 HB ILE 71 0.414 -2.027 8.023 477 1HG1 ILE 71 HG12 ILE 71 0.172 -3.396 5.342 478 2HG1 ILE 71 HG11 ILE 71 0.500 -1.693 5.660 479 1HG2 ILE 71 HG21 ILE 71 1.617 -4.152 8.101 480 2HG2 ILE 71 HG22 ILE 71 0.185 -4.977 7.484 481 3HG2 ILE 71 HG23 ILE 71 0.139 -4.196 9.064 482 1HD1 ILE 71 HD11 ILE 71 2.386 -4.015 6.168 483 2HD1 ILE 71 HD12 ILE 71 2.688 -2.330 6.610 484 3HD1 ILE 71 HD13 ILE 71 2.508 -2.773 4.916 485 H LEU 72 HN LEU 72 -1.774 -1.862 5.041 486 HA LEU 72 HA LEU 72 -2.045 0.884 5.640 487 1HB LEU 72 HB2 LEU 72 -2.661 -0.727 3.209 488 2HB LEU 72 HB1 LEU 72 -3.097 0.970 3.315 489 HG LEU 72 HG LEU 72 -0.849 1.669 3.393 490 1HD1 LEU 72 HD11 LEU 72 -0.047 -1.221 3.670 491 2HD1 LEU 72 HD12 LEU 72 0.028 -0.006 4.945 492 3HD1 LEU 72 HD13 LEU 72 1.050 0.152 3.515 493 1HD2 LEU 72 HD21 LEU 72 -1.388 -0.524 1.462 494 2HD2 LEU 72 HD22 LEU 72 0.101 0.418 1.381 495 3HD2 LEU 72 HD23 LEU 72 -1.463 1.215 1.195 496 H ASP 73 HN ASP 73 -4.334 -1.735 5.321 497 HA ASP 73 HA ASP 73 -6.672 -0.157 5.082 498 1HB ASP 73 HB2 ASP 73 -6.068 -2.903 5.061 499 2HB ASP 73 HB1 ASP 73 -7.193 -2.669 6.397 500 H LEU 74 HN LEU 74 -5.056 -1.668 7.830 501 HA LEU 74 HA LEU 74 -7.050 -0.840 9.698 502 1HB LEU 74 HB2 LEU 74 -4.382 -2.146 9.880 503 2HB LEU 74 HB1 LEU 74 -5.037 -1.399 11.328 504 HG LEU 74 HG LEU 74 -7.030 -2.832 11.178 505 1HD1 LEU 74 HD11 LEU 74 -5.641 -4.076 8.810 506 2HD1 LEU 74 HD12 LEU 74 -7.141 -3.151 8.775 507 3HD1 LEU 74 HD13 LEU 74 -7.084 -4.708 9.600 508 1HD2 LEU 74 HD21 LEU 74 -5.118 -3.580 12.485 509 2HD2 LEU 74 HD22 LEU 74 -4.433 -4.356 11.058 510 3HD2 LEU 74 HD23 LEU 74 -5.946 -4.948 11.743 511 H VAL 75 HN VAL 75 -4.108 0.558 8.453 512 HA VAL 75 HA VAL 75 -3.862 2.557 10.466 513 HB VAL 75 HB VAL 75 -2.113 1.780 8.656 514 1HG1 VAL 75 HG11 VAL 75 -3.378 4.115 7.275 515 2HG1 VAL 75 HG12 VAL 75 -3.370 2.442 6.713 516 3HG1 VAL 75 HG13 VAL 75 -1.856 3.340 6.833 517 1HG2 VAL 75 HG21 VAL 75 -1.035 4.095 8.914 518 2HG2 VAL 75 HG22 VAL 75 -1.411 3.180 10.376 519 3HG2 VAL 75 HG23 VAL 75 -2.469 4.493 9.865 520 H GLN 76 HN GLN 76 -5.420 2.463 7.284 521 HA GLN 76 HA GLN 76 -7.006 3.717 6.296 522 1HB GLN 76 HB2 GLN 76 -7.419 4.667 9.120 523 2HB GLN 76 HB1 GLN 76 -8.406 5.232 7.777 524 1HG GLN 76 HG2 GLN 76 -9.334 3.133 7.412 525 2HG GLN 76 HG1 GLN 76 -8.064 2.311 8.314 526 1HE2 GLN 76 HE21 GLN 76 -10.990 2.216 8.587 527 2HE2 GLN 76 HE22 GLN 76 -11.318 2.641 10.228 528 H SER 77 HN SER 77 -4.342 5.201 7.801 529 HA SER 77 HA SER 77 -4.502 7.350 5.845 530 1HB SER 77 HB2 SER 77 -4.173 7.848 8.805 531 2HB SER 77 HB1 SER 77 -3.866 9.057 7.560 532 HG SER 77 HG SER 77 -6.312 7.788 7.372 533 H LYS 78 HN LYS 78 -2.430 6.543 8.680 534 HA LYS 78 HA LYS 78 -0.091 7.339 7.170 535 1HB LYS 78 HB2 LYS 78 -0.273 6.145 9.931 536 2HB LYS 78 HB1 LYS 78 1.154 6.887 9.203 537 1HG LYS 78 HG2 LYS 78 -1.416 8.390 9.639 538 2HG LYS 78 HG1 LYS 78 -0.153 8.285 10.863 539 1HD LYS 78 HD2 LYS 78 0.233 10.318 9.737 540 2HD LYS 78 HD1 LYS 78 1.431 9.195 9.099 541 1HE LYS 78 HE2 LYS 78 0.076 8.841 7.115 542 2HE LYS 78 HE1 LYS 78 -1.182 9.891 7.765 543 1HZ LYS 78 HZ1 LYS 78 1.585 10.728 7.062 544 2HZ LYS 78 HZ2 LYS 78 0.397 11.736 7.731 545 3HZ LYS 78 HZ3 LYS 78 0.179 11.088 6.178 546 H GLY 79 HN GLY 79 -1.203 5.264 5.910 547 1HA GLY 79 HA2 GLY 79 1.012 3.376 5.822 548 2HA GLY 79 HA1 GLY 79 -0.595 2.698 6.128 549 H GLU 80 HN GLU 80 -2.313 3.941 4.766 550 HA GLU 80 HA GLU 80 -2.079 3.500 2.057 551 1HB GLU 80 HB2 GLU 80 -4.213 4.053 2.871 552 2HB GLU 80 HB1 GLU 80 -3.631 5.499 3.678 553 1HG GLU 80 HG2 GLU 80 -4.781 6.384 1.923 554 2HG GLU 80 HG1 GLU 80 -3.153 6.336 1.268 555 H GLU 81 HN GLU 81 -1.390 6.560 3.778 556 HA GLU 81 HA GLU 81 -0.622 7.924 1.387 557 1HB GLU 81 HB2 GLU 81 -1.620 9.110 3.274 558 2HB GLU 81 HB1 GLU 81 -0.260 8.665 4.295 559 1HG GLU 81 HG2 GLU 81 1.153 9.904 2.506 560 2HG GLU 81 HG1 GLU 81 -0.385 10.647 2.068 561 H VAL 82 HN VAL 82 1.189 6.671 4.196 562 HA VAL 82 HA VAL 82 3.657 7.669 3.194 563 HB VAL 82 HB VAL 82 4.721 6.294 4.999 564 1HG1 VAL 82 HG11 VAL 82 3.794 7.671 6.821 565 2HG1 VAL 82 HG12 VAL 82 2.463 8.141 5.762 566 3HG1 VAL 82 HG13 VAL 82 4.116 8.606 5.359 567 1HG2 VAL 82 HG21 VAL 82 1.876 5.696 5.812 568 2HG2 VAL 82 HG22 VAL 82 3.350 5.226 6.658 569 3HG2 VAL 82 HG23 VAL 82 2.976 4.526 5.083 570 H SER 83 HN SER 83 2.122 4.484 3.108 571 HA SER 83 HA SER 83 4.401 3.070 2.270 572 1HB SER 83 HB2 SER 83 1.461 2.458 1.982 573 2HB SER 83 HB1 SER 83 2.747 1.324 1.562 574 HG SER 83 HG SER 83 3.333 2.188 3.973 575 H GLU 84 HN GLU 84 1.679 4.448 0.367 576 HA GLU 84 HA GLU 84 2.733 3.488 -2.079 577 1HB GLU 84 HB2 GLU 84 1.240 5.036 -3.208 578 2HB GLU 84 HB1 GLU 84 0.394 4.226 -1.899 579 1HG GLU 84 HG2 GLU 84 0.425 6.170 -0.554 580 2HG GLU 84 HG1 GLU 84 1.579 6.973 -1.620 581 H PHE 85 HN PHE 85 3.213 6.442 -0.239 582 HA PHE 85 HA PHE 85 4.613 7.857 -2.232 583 1HB PHE 85 HB2 PHE 85 3.596 8.854 -0.178 584 2HB PHE 85 HB1 PHE 85 4.892 8.131 0.766 585 HD1 PHE 85 HD1 PHE 85 6.764 9.396 1.220 586 HD2 PHE 85 HD2 PHE 85 4.387 10.354 -2.179 587 HE1 PHE 85 HE1 PHE 85 8.158 11.383 0.807 588 HE2 PHE 85 HE2 PHE 85 5.777 12.339 -2.599 589 HZ PHE 85 HZ PHE 85 7.667 12.857 -1.105 590 H PHE 86 HN PHE 86 5.775 5.825 0.472 591 HA PHE 86 HA PHE 86 8.521 6.357 0.037 592 1HB PHE 86 HB2 PHE 86 7.272 5.385 2.104 593 2HB PHE 86 HB1 PHE 86 7.491 3.827 1.303 594 HD1 PHE 86 HD1 PHE 86 10.162 4.031 0.196 595 HD2 PHE 86 HD2 PHE 86 8.686 5.388 3.951 596 HE1 PHE 86 HE1 PHE 86 12.418 3.834 1.153 597 HE2 PHE 86 HE2 PHE 86 10.943 5.197 4.907 598 HZ PHE 86 HZ PHE 86 12.783 4.459 3.579 599 H LEU 87 HN LEU 87 6.498 3.550 -0.862 600 HA LEU 87 HA LEU 87 8.658 2.150 -2.042 601 1HB LEU 87 HB2 LEU 87 7.179 0.470 -2.519 602 2HB LEU 87 HB1 LEU 87 6.341 1.276 -1.209 603 HG LEU 87 HG LEU 87 5.201 2.543 -3.291 604 1HD1 LEU 87 HD11 LEU 87 4.754 0.920 -5.071 605 2HD1 LEU 87 HD12 LEU 87 5.884 -0.209 -4.323 606 3HD1 LEU 87 HD13 LEU 87 6.467 1.324 -4.973 607 1HD2 LEU 87 HD21 LEU 87 3.348 0.948 -3.072 608 2HD2 LEU 87 HD22 LEU 87 4.014 1.400 -1.504 609 3HD2 LEU 87 HD23 LEU 87 4.414 -0.164 -2.215 610 H TYR 88 HN TYR 88 6.351 4.457 -3.239 611 HA TYR 88 HA TYR 88 7.039 4.197 -5.997 612 1HB TYR 88 HB2 TYR 88 5.532 6.254 -4.410 613 2HB TYR 88 HB1 TYR 88 5.936 6.543 -6.102 614 HD1 TYR 88 HD1 TYR 88 5.588 3.166 -6.017 615 HD2 TYR 88 HD2 TYR 88 3.195 6.658 -5.624 616 HE1 TYR 88 HE1 TYR 88 3.621 1.868 -6.683 617 HE2 TYR 88 HE2 TYR 88 1.206 5.376 -6.291 618 HH TYR 88 HH TYR 88 0.635 3.375 -7.491 619 H LEU 89 HN LEU 89 8.315 6.131 -3.327 620 HA LEU 89 HA LEU 89 9.788 8.027 -4.710 621 1HB LEU 89 HB2 LEU 89 10.744 6.419 -2.327 622 2HB LEU 89 HB1 LEU 89 11.445 7.923 -2.879 623 HG LEU 89 HG LEU 89 8.662 7.604 -1.757 624 1HD1 LEU 89 HD11 LEU 89 9.576 8.860 0.158 625 2HD1 LEU 89 HD12 LEU 89 11.185 8.744 -0.556 626 3HD1 LEU 89 HD13 LEU 89 10.340 7.284 -0.044 627 1HD2 LEU 89 HD21 LEU 89 8.827 9.416 -3.389 628 2HD2 LEU 89 HD22 LEU 89 10.209 10.080 -2.518 629 3HD2 LEU 89 HD23 LEU 89 8.621 10.039 -1.753 630 H LEU 90 HN LEU 90 10.787 4.755 -3.774 631 HA LEU 90 HA LEU 90 13.088 4.738 -5.441 632 1HB LEU 90 HB2 LEU 90 11.524 2.506 -4.165 633 2HB LEU 90 HB1 LEU 90 12.976 2.235 -5.109 634 HG LEU 90 HG LEU 90 12.759 3.751 -2.508 635 1HD1 LEU 90 HD11 LEU 90 14.194 1.213 -3.273 636 2HD1 LEU 90 HD12 LEU 90 12.745 1.333 -2.274 637 3HD1 LEU 90 HD13 LEU 90 14.272 2.003 -1.698 638 1HD2 LEU 90 HD21 LEU 90 15.152 3.367 -4.305 639 2HD2 LEU 90 HD22 LEU 90 15.187 4.052 -2.679 640 3HD2 LEU 90 HD23 LEU 90 14.330 4.892 -3.972 641 H GLN 91 HN GLN 91 9.721 3.855 -5.995 642 HA GLN 91 HA GLN 91 10.328 2.151 -8.203 643 1HB GLN 91 HB2 GLN 91 8.383 1.895 -6.632 644 2HB GLN 91 HB1 GLN 91 7.631 3.229 -7.471 645 1HG GLN 91 HG2 GLN 91 7.968 1.836 -9.584 646 2HG GLN 91 HG1 GLN 91 8.201 0.494 -8.463 647 1HE2 GLN 91 HE21 GLN 91 5.965 2.740 -9.802 648 2HE2 GLN 91 HE22 GLN 91 4.534 2.061 -9.113 649 H GLN 92 HN GLN 92 8.778 5.339 -7.965 650 HA GLN 92 HA GLN 92 9.547 6.626 -10.190 651 1HB GLN 92 HB2 GLN 92 7.663 6.122 -11.882 652 2HB GLN 92 HB1 GLN 92 8.990 4.959 -11.783 653 1HG GLN 92 HG2 GLN 92 7.434 3.708 -10.129 654 2HG GLN 92 HG1 GLN 92 6.166 4.700 -10.841 655 1HE2 GLN 92 HE21 GLN 92 5.148 2.894 -11.702 656 2HE2 GLN 92 HE22 GLN 92 5.769 2.072 -13.086 657 H LEU 93 HN LEU 93 8.972 8.278 -8.749 658 HA LEU 93 HA LEU 93 6.417 8.628 -7.643 659 1HB LEU 93 HB2 LEU 93 8.613 10.579 -8.280 660 2HB LEU 93 HB1 LEU 93 7.116 11.076 -7.514 661 HG LEU 93 HG LEU 93 9.076 9.071 -6.390 662 1HD1 LEU 93 HD11 LEU 93 9.960 11.330 -6.327 663 2HD1 LEU 93 HD12 LEU 93 9.505 10.803 -4.705 664 3HD1 LEU 93 HD13 LEU 93 8.465 11.914 -5.596 665 1HD2 LEU 93 HD21 LEU 93 6.776 8.572 -5.761 666 2HD2 LEU 93 HD22 LEU 93 6.549 10.237 -5.226 667 3HD2 LEU 93 HD23 LEU 93 7.684 9.186 -4.379 668 H ALA 94 HN ALA 94 7.832 10.095 -10.563 669 HA ALA 94 HA ALA 94 5.562 11.547 -11.316 670 1HB ALA 94 HB1 ALA 94 7.708 10.400 -13.089 671 2HB ALA 94 HB2 ALA 94 7.777 11.950 -12.254 672 3HB ALA 94 HB3 ALA 94 6.583 11.685 -13.523 673 H ASP 95 HN ASP 95 6.526 8.221 -12.086 674 HA ASP 95 HA ASP 95 4.452 7.973 -14.049 675 1HB ASP 95 HB2 ASP 95 6.606 6.810 -14.320 676 2HB ASP 95 HB1 ASP 95 6.206 5.802 -12.930 677 H ALA 96 HN ALA 96 5.031 6.575 -10.843 678 HA ALA 96 HA ALA 96 2.624 5.000 -11.011 679 1HB ALA 96 HB1 ALA 96 4.642 4.169 -9.911 680 2HB ALA 96 HB2 ALA 96 3.240 4.162 -8.842 681 3HB ALA 96 HB3 ALA 96 4.469 5.416 -8.677 682 H TYR 97 HN TYR 97 3.637 7.915 -9.287 683 HA TYR 97 HA TYR 97 1.392 7.799 -7.493 684 1HB TYR 97 HB2 TYR 97 3.706 8.657 -6.944 685 2HB TYR 97 HB1 TYR 97 3.330 10.077 -7.908 686 HD1 TYR 97 HD1 TYR 97 2.707 8.313 -4.776 687 HD2 TYR 97 HD2 TYR 97 1.725 11.738 -7.101 688 HE1 TYR 97 HE1 TYR 97 1.738 9.379 -2.784 689 HE2 TYR 97 HE2 TYR 97 0.746 12.811 -5.115 690 HH TYR 97 HH TYR 97 1.167 11.515 -1.938 691 H VAL 98 HN VAL 98 2.395 10.040 -10.095 692 HA VAL 98 HA VAL 98 0.073 11.657 -9.882 693 HB VAL 98 HB VAL 98 1.928 11.357 -12.248 694 1HG1 VAL 98 HG11 VAL 98 -0.124 12.475 -12.861 695 2HG1 VAL 98 HG12 VAL 98 1.195 13.645 -12.800 696 3HG1 VAL 98 HG13 VAL 98 0.023 13.567 -11.483 697 1HG2 VAL 98 HG21 VAL 98 3.100 13.308 -11.322 698 2HG2 VAL 98 HG22 VAL 98 3.175 11.916 -10.243 699 3HG2 VAL 98 HG23 VAL 98 2.066 13.241 -9.896 700 H ASP 99 HN ASP 99 0.895 8.879 -11.862 701 HA ASP 99 HA ASP 99 -1.381 9.134 -13.578 702 1HB ASP 99 HB2 ASP 99 0.890 8.045 -14.112 703 2HB ASP 99 HB1 ASP 99 0.246 6.629 -13.283 704 H LEU 100 HN LEU 100 -1.088 8.085 -10.446 705 HA LEU 100 HA LEU 100 -2.354 5.617 -10.365 706 1HB LEU 100 HB2 LEU 100 -1.071 6.723 -8.540 707 2HB LEU 100 HB1 LEU 100 -2.468 7.738 -8.234 708 HG LEU 100 HG LEU 100 -3.771 5.593 -7.831 709 1HD1 LEU 100 HD11 LEU 100 -0.986 4.449 -7.738 710 2HD1 LEU 100 HD12 LEU 100 -2.237 4.055 -8.918 711 3HD1 LEU 100 HD13 LEU 100 -2.457 3.624 -7.221 712 1HD2 LEU 100 HD21 LEU 100 -3.091 7.031 -6.013 713 2HD2 LEU 100 HD22 LEU 100 -1.490 6.293 -5.992 714 3HD2 LEU 100 HD23 LEU 100 -2.906 5.343 -5.545 715 H ARG 101 HN ARG 101 -3.881 8.650 -11.018 716 HA ARG 101 HA ARG 101 -6.306 8.264 -9.634 717 1HB ARG 101 HB2 ARG 101 -5.657 9.930 -12.051 718 2HB ARG 101 HB1 ARG 101 -7.282 9.851 -11.392 719 1HG ARG 101 HG2 ARG 101 -6.335 11.792 -10.498 720 2HG ARG 101 HG1 ARG 101 -6.271 10.606 -9.194 721 1HD ARG 101 HD2 ARG 101 -3.971 10.313 -9.413 722 2HD ARG 101 HD1 ARG 101 -3.947 10.993 -11.041 723 HE ARG 101 HE ARG 101 -4.343 12.575 -8.575 724 1HH1 ARG 101 HH11 ARG 101 -3.176 12.211 -11.847 725 2HH1 ARG 101 HH12 ARG 101 -2.534 13.823 -11.944 726 1HH2 ARG 101 HH21 ARG 101 -3.497 14.695 -8.687 727 2HH2 ARG 101 HH22 ARG 101 -2.689 15.228 -10.135 728 HA PRO 102 HA PRO 102 -8.156 6.335 -13.712 729 1HB PRO 102 HB2 PRO 102 -6.244 5.244 -15.386 730 2HB PRO 102 HB1 PRO 102 -7.078 6.774 -15.662 731 1HG PRO 102 HG2 PRO 102 -4.371 6.267 -14.522 732 2HG PRO 102 HG1 PRO 102 -4.909 7.555 -15.615 733 1HD PRO 102 HD2 PRO 102 -4.515 7.998 -12.996 734 2HD PRO 102 HD1 PRO 102 -5.811 8.810 -13.894 735 H TRP 103 HN TRP 103 -5.231 5.168 -12.147 736 HA TRP 103 HA TRP 103 -5.638 2.398 -12.581 737 1HB TRP 103 HB2 TRP 103 -4.268 3.739 -10.233 738 2HB TRP 103 HB1 TRP 103 -4.132 2.043 -10.665 739 HD1 TRP 103 HD1 TRP 103 -3.922 4.431 -13.579 740 HE1 TRP 103 HE1 TRP 103 -1.482 4.607 -14.381 741 HE3 TRP 103 HE3 TRP 103 -1.637 1.937 -9.752 742 HZ2 TRP 103 HZ2 TRP 103 1.072 3.781 -13.508 743 HZ3 TRP 103 HZ3 TRP 103 0.810 1.674 -9.808 744 HH2 TRP 103 HH2 TRP 103 2.138 2.577 -11.648 745 H LEU 104 HN LEU 104 -6.379 4.491 -9.816 746 HA LEU 104 HA LEU 104 -7.721 2.454 -8.374 747 1HB LEU 104 HB2 LEU 104 -8.396 4.236 -6.825 748 2HB LEU 104 HB1 LEU 104 -6.679 4.230 -7.160 749 HG LEU 104 HG LEU 104 -7.332 6.077 -8.929 750 1HD1 LEU 104 HD11 LEU 104 -9.744 5.893 -8.602 751 2HD1 LEU 104 HD12 LEU 104 -9.158 7.496 -8.159 752 3HD1 LEU 104 HD13 LEU 104 -9.550 6.323 -6.902 753 1HD2 LEU 104 HD21 LEU 104 -7.213 6.629 -5.968 754 2HD2 LEU 104 HD22 LEU 104 -6.849 7.772 -7.261 755 3HD2 LEU 104 HD23 LEU 104 -5.824 6.358 -7.019 756 H LEU 105 HN LEU 105 -8.753 4.648 -10.831 757 HA LEU 105 HA LEU 105 -11.371 5.161 -9.992 758 1HB LEU 105 HB2 LEU 105 -10.133 6.372 -11.778 759 2HB LEU 105 HB1 LEU 105 -10.361 4.988 -12.830 760 HG LEU 105 HG LEU 105 -12.836 5.325 -12.613 761 1HD1 LEU 105 HD11 LEU 105 -13.637 7.474 -11.789 762 2HD1 LEU 105 HD12 LEU 105 -11.998 7.906 -11.303 763 3HD1 LEU 105 HD13 LEU 105 -12.829 6.567 -10.512 764 1HD2 LEU 105 HD21 LEU 105 -11.239 7.623 -13.726 765 2HD2 LEU 105 HD22 LEU 105 -12.908 7.228 -14.143 766 3HD2 LEU 105 HD23 LEU 105 -11.606 6.112 -14.557 767 H GLU 106 HN GLU 106 -10.052 2.466 -11.837 768 HA GLU 106 HA GLU 106 -12.552 1.434 -12.693 769 1HB GLU 106 HB2 GLU 106 -9.931 -0.022 -12.348 770 2HB GLU 106 HB1 GLU 106 -11.305 -0.569 -13.298 771 1HG GLU 106 HG2 GLU 106 -11.031 1.487 -14.702 772 2HG GLU 106 HG1 GLU 106 -9.521 1.789 -13.831 773 H ILE 107 HN ILE 107 -10.440 0.667 -9.958 774 HA ILE 107 HA ILE 107 -12.230 -1.442 -9.068 775 HB ILE 107 HB ILE 107 -9.852 -1.866 -8.962 776 1HG1 ILE 107 HG12 ILE 107 -9.584 -2.543 -6.635 777 2HG1 ILE 107 HG11 ILE 107 -10.890 -1.474 -6.148 778 1HG2 ILE 107 HG21 ILE 107 -9.689 0.515 -7.132 779 2HG2 ILE 107 HG22 ILE 107 -9.063 0.409 -8.776 780 3HG2 ILE 107 HG23 ILE 107 -8.366 -0.589 -7.500 781 1HD1 ILE 107 HD11 ILE 107 -11.648 -3.765 -6.224 782 2HD1 ILE 107 HD12 ILE 107 -11.128 -3.909 -7.904 783 3HD1 ILE 107 HD13 ILE 107 -12.455 -2.826 -7.481 784 H GLY 108 HN GLY 108 -11.504 1.868 -8.332 785 1HA GLY 108 HA2 GLY 108 -12.940 1.840 -5.811 786 2HA GLY 108 HA1 GLY 108 -12.247 3.245 -6.611 787 H PHE 109 HN PHE 109 -13.817 1.845 -9.008 788 HA PHE 109 HA PHE 109 -15.789 2.046 -10.088 789 1HB PHE 109 HB2 PHE 109 -16.887 2.616 -7.332 790 2HB PHE 109 HB1 PHE 109 -17.882 2.455 -8.776 791 HD1 PHE 109 HD1 PHE 109 -15.805 0.697 -6.342 792 HD2 PHE 109 HD2 PHE 109 -18.226 0.298 -9.815 793 HE1 PHE 109 HE1 PHE 109 -15.882 -1.737 -6.004 794 HE2 PHE 109 HE2 PHE 109 -18.310 -2.137 -9.483 795 HZ PHE 109 HZ PHE 109 -17.138 -3.159 -7.590 796 H SER 110 HN SER 110 -15.804 3.647 -11.463 797 HA SER 110 HA SER 110 -15.171 6.304 -10.940 798 1HB SER 110 HB2 SER 110 -15.141 5.136 -13.188 799 2HB SER 110 HB1 SER 110 -16.891 5.338 -13.236 800 HG SER 110 HG SER 110 -16.296 7.685 -12.830 Start of MODEL 4 1 1H GLY 12 HT1 GLY 12 -15.120 4.849 -4.785 2 2H GLY 12 HT2 GLY 12 -15.627 4.791 -3.166 3 3H GLY 12 HT3 GLY 12 -15.156 3.367 -3.958 4 1HA GLY 12 HA1 GLY 12 -12.894 4.231 -4.182 5 2HA GLY 12 HA2 GLY 12 -13.396 5.661 -3.291 6 H ALA 13 HN ALA 13 -14.070 5.404 -1.077 7 HA ALA 13 HA ALA 13 -12.448 3.528 0.350 8 1HB ALA 13 HB1 ALA 13 -13.377 4.547 2.349 9 2HB ALA 13 HB2 ALA 13 -14.609 5.361 1.382 10 3HB ALA 13 HB3 ALA 13 -12.909 5.791 1.188 11 H MET 14 HN MET 14 -13.075 1.449 -0.035 12 HA MET 14 HA MET 14 -15.844 0.661 0.003 13 1HB MET 14 HB2 MET 14 -13.436 -1.156 0.093 14 2HB MET 14 HB1 MET 14 -15.060 -1.556 -0.445 15 1HG MET 14 HG2 MET 14 -14.782 -0.004 -2.336 16 2HG MET 14 HG1 MET 14 -13.123 0.300 -1.804 17 1HE MET 14 HE1 MET 14 -12.463 -1.885 -4.958 18 2HE MET 14 HE2 MET 14 -12.085 -0.392 -4.101 19 3HE MET 14 HE3 MET 14 -13.699 -0.644 -4.763 20 H GLU 15 HN GLU 15 -13.098 -0.577 1.874 21 HA GLU 15 HA GLU 15 -14.922 -0.879 4.153 22 1HB GLU 15 HB2 GLU 15 -13.358 -2.648 4.945 23 2HB GLU 15 HB1 GLU 15 -14.130 -3.020 3.412 24 1HG GLU 15 HG2 GLU 15 -11.977 -2.071 2.357 25 2HG GLU 15 HG1 GLU 15 -11.283 -2.296 3.962 26 H SER 16 HN SER 16 -11.941 0.493 3.050 27 HA SER 16 HA SER 16 -11.835 1.990 5.547 28 1HB SER 16 HB2 SER 16 -9.422 0.678 4.277 29 2HB SER 16 HB1 SER 16 -9.364 1.825 5.616 30 HG SER 16 HG SER 16 -9.754 -0.810 5.707 31 H HIS 17 HN HIS 17 -9.551 1.970 2.812 32 HA HIS 17 HA HIS 17 -10.577 4.563 1.966 33 1HB HIS 17 HB2 HIS 17 -7.891 4.081 3.200 34 2HB HIS 17 HB1 HIS 17 -8.025 5.276 1.920 35 HD1 HIS 17 HD1 HIS 17 -8.360 7.555 2.753 36 HD2 HIS 17 HD2 HIS 17 -9.887 4.719 5.388 37 HE1 HIS 17 HE1 HIS 17 -9.223 8.853 4.724 38 HE2 HIS 17 HE2 HIS 17 -9.947 7.108 6.387 39 HA PRO 18 HA PRO 18 -10.168 3.238 -2.044 40 1HB PRO 18 HB2 PRO 18 -9.193 5.479 -3.328 41 2HB PRO 18 HB1 PRO 18 -10.874 5.230 -2.848 42 1HG PRO 18 HG2 PRO 18 -8.716 6.763 -1.461 43 2HG PRO 18 HG1 PRO 18 -10.427 7.176 -1.676 44 1HD PRO 18 HD2 PRO 18 -9.516 6.216 0.646 45 2HD PRO 18 HD1 PRO 18 -11.114 5.753 0.022 46 H HIS 19 HN HIS 19 -7.174 4.726 -0.841 47 HA HIS 19 HA HIS 19 -5.592 3.845 -3.064 48 1HB HIS 19 HB2 HIS 19 -4.641 4.526 -0.271 49 2HB HIS 19 HB1 HIS 19 -3.634 4.377 -1.705 50 HD1 HIS 19 HD1 HIS 19 -2.769 6.644 -2.079 51 HD2 HIS 19 HD2 HIS 19 -6.848 6.657 -1.244 52 HE1 HIS 19 HE1 HIS 19 -3.504 9.045 -2.285 53 HE2 HIS 19 HE2 HIS 19 -5.912 9.050 -1.530 54 H ILE 20 HN ILE 20 -6.258 2.684 0.181 55 HA ILE 20 HA ILE 20 -4.478 0.539 0.294 56 HB ILE 20 HB ILE 20 -7.225 0.360 1.501 57 1HG1 ILE 20 HG12 ILE 20 -4.951 2.028 2.602 58 2HG1 ILE 20 HG11 ILE 20 -6.365 2.701 1.796 59 1HG2 ILE 20 HG21 ILE 20 -4.666 -0.187 2.912 60 2HG2 ILE 20 HG22 ILE 20 -5.216 -1.330 1.681 61 3HG2 ILE 20 HG23 ILE 20 -6.238 -0.976 3.075 62 1HD1 ILE 20 HD11 ILE 20 -6.547 2.837 4.218 63 2HD1 ILE 20 HD12 ILE 20 -6.401 1.082 4.330 64 3HD1 ILE 20 HD13 ILE 20 -7.800 1.802 3.532 65 H GLN 21 HN GLN 21 -7.776 0.741 -0.925 66 HA GLN 21 HA GLN 21 -8.069 -1.992 -1.569 67 1HB GLN 21 HB2 GLN 21 -9.506 0.512 -2.313 68 2HB GLN 21 HB1 GLN 21 -9.809 -0.938 -3.256 69 1HG GLN 21 HG2 GLN 21 -11.479 -0.904 -1.642 70 2HG GLN 21 HG1 GLN 21 -10.313 -2.092 -1.060 71 1HE2 GLN 21 HE21 GLN 21 -9.060 -1.601 0.779 72 2HE2 GLN 21 HE22 GLN 21 -9.485 -0.314 1.849 73 H LEU 22 HN LEU 22 -6.939 0.805 -3.437 74 HA LEU 22 HA LEU 22 -6.856 -0.536 -5.892 75 1HB LEU 22 HB2 LEU 22 -6.143 1.417 -6.769 76 2HB LEU 22 HB1 LEU 22 -6.687 2.028 -5.222 77 HG LEU 22 HG LEU 22 -4.172 1.622 -4.536 78 1HD1 LEU 22 HD11 LEU 22 -2.638 2.090 -6.384 79 2HD1 LEU 22 HD12 LEU 22 -3.982 2.009 -7.524 80 3HD1 LEU 22 HD13 LEU 22 -3.496 0.569 -6.630 81 1HD2 LEU 22 HD21 LEU 22 -3.702 3.937 -5.185 82 2HD2 LEU 22 HD22 LEU 22 -5.310 3.757 -4.486 83 3HD2 LEU 22 HD23 LEU 22 -5.121 3.924 -6.232 84 H LEU 23 HN LEU 23 -4.367 0.013 -3.422 85 HA LEU 23 HA LEU 23 -2.207 -0.992 -4.842 86 1HB LEU 23 HB2 LEU 23 -2.825 -0.586 -1.973 87 2HB LEU 23 HB1 LEU 23 -1.472 -1.634 -2.353 88 HG LEU 23 HG LEU 23 -0.583 0.274 -3.769 89 1HD1 LEU 23 HD11 LEU 23 -2.618 1.836 -2.212 90 2HD1 LEU 23 HD12 LEU 23 -2.599 1.589 -3.958 91 3HD1 LEU 23 HD13 LEU 23 -1.316 2.522 -3.184 92 1HD2 LEU 23 HD21 LEU 23 0.407 1.411 -1.838 93 2HD2 LEU 23 HD22 LEU 23 0.382 -0.339 -1.621 94 3HD2 LEU 23 HD23 LEU 23 -0.803 0.668 -0.791 95 H LYS 24 HN LYS 24 -4.513 -2.735 -2.754 96 HA LYS 24 HA LYS 24 -3.114 -5.188 -2.993 97 1HB LYS 24 HB2 LYS 24 -4.920 -6.237 -1.872 98 2HB LYS 24 HB1 LYS 24 -4.669 -4.669 -1.136 99 1HG LYS 24 HG2 LYS 24 -6.967 -4.876 -1.205 100 2HG LYS 24 HG1 LYS 24 -6.617 -3.884 -2.617 101 1HD LYS 24 HD2 LYS 24 -8.312 -5.725 -2.959 102 2HD LYS 24 HD1 LYS 24 -6.965 -5.710 -4.096 103 1HE LYS 24 HE2 LYS 24 -7.496 -7.978 -3.349 104 2HE LYS 24 HE1 LYS 24 -5.875 -7.501 -2.863 105 1HZ LYS 24 HZ1 LYS 24 -6.689 -8.477 -0.971 106 2HZ LYS 24 HZ2 LYS 24 -8.270 -7.907 -1.199 107 3HZ LYS 24 HZ3 LYS 24 -7.059 -6.852 -0.670 108 H SER 25 HN SER 25 -5.570 -3.670 -4.959 109 HA SER 25 HA SER 25 -6.348 -5.957 -6.420 110 1HB SER 25 HB2 SER 25 -6.357 -3.062 -7.316 111 2HB SER 25 HB1 SER 25 -7.295 -4.375 -8.029 112 HG SER 25 HG SER 25 -7.623 -3.082 -5.553 113 H ASN 26 HN ASN 26 -3.775 -3.601 -6.895 114 HA ASN 26 HA ASN 26 -2.626 -5.422 -8.906 115 1HB ASN 26 HB2 ASN 26 -1.249 -3.353 -9.581 116 2HB ASN 26 HB1 ASN 26 -2.936 -3.402 -10.065 117 1HD2 ASN 26 HD21 ASN 26 -1.751 -2.638 -6.826 118 2HD2 ASN 26 HD22 ASN 26 -2.321 -1.006 -6.829 119 H ARG 27 HN ARG 27 -2.356 -6.106 -6.348 120 HA ARG 27 HA ARG 27 -0.301 -4.895 -4.875 121 1HB ARG 27 HB2 ARG 27 -0.349 -6.951 -3.510 122 2HB ARG 27 HB1 ARG 27 -1.952 -6.299 -3.804 123 1HG ARG 27 HG2 ARG 27 -2.231 -7.999 -5.611 124 2HG ARG 27 HG1 ARG 27 -0.686 -8.694 -5.122 125 1HD ARG 27 HD2 ARG 27 -2.117 -8.467 -2.757 126 2HD ARG 27 HD1 ARG 27 -3.315 -8.994 -3.940 127 HE ARG 27 HE ARG 27 -0.922 -10.458 -3.102 128 1HH1 ARG 27 HH11 ARG 27 -3.837 -10.332 -5.040 129 2HH1 ARG 27 HH12 ARG 27 -3.853 -12.042 -5.346 130 1HH2 ARG 27 HH21 ARG 27 -0.974 -12.708 -3.451 131 2HH2 ARG 27 HH22 ARG 27 -2.242 -13.393 -4.425 132 H GLU 28 HN GLU 28 -0.248 -7.873 -6.788 133 HA GLU 28 HA GLU 28 2.462 -8.462 -6.437 134 1HB GLU 28 HB2 GLU 28 1.917 -9.585 -8.855 135 2HB GLU 28 HB1 GLU 28 1.495 -10.306 -7.309 136 1HG GLU 28 HG2 GLU 28 -0.727 -9.256 -7.457 137 2HG GLU 28 HG1 GLU 28 -0.307 -8.625 -9.044 138 H LEU 29 HN LEU 29 0.837 -6.361 -8.712 139 HA LEU 29 HA LEU 29 2.977 -5.959 -10.499 140 1HB LEU 29 HB2 LEU 29 0.663 -5.343 -11.014 141 2HB LEU 29 HB1 LEU 29 0.703 -4.111 -9.767 142 HG LEU 29 HG LEU 29 2.478 -2.930 -11.042 143 1HD1 LEU 29 HD11 LEU 29 1.882 -4.995 -13.155 144 2HD1 LEU 29 HD12 LEU 29 3.389 -4.835 -12.254 145 3HD1 LEU 29 HD13 LEU 29 2.887 -3.561 -13.366 146 1HD2 LEU 29 HD21 LEU 29 -0.089 -3.455 -12.532 147 2HD2 LEU 29 HD22 LEU 29 0.995 -2.092 -12.806 148 3HD2 LEU 29 HD23 LEU 29 0.158 -2.255 -11.263 149 H LEU 30 HN LEU 30 1.968 -4.159 -7.595 150 HA LEU 30 HA LEU 30 4.016 -2.209 -7.819 151 1HB LEU 30 HB2 LEU 30 2.127 -3.018 -5.657 152 2HB LEU 30 HB1 LEU 30 3.487 -1.986 -5.257 153 HG LEU 30 HG LEU 30 2.702 -0.260 -6.768 154 1HD1 LEU 30 HD11 LEU 30 1.772 -1.648 -8.535 155 2HD1 LEU 30 HD12 LEU 30 0.582 -0.477 -7.969 156 3HD1 LEU 30 HD13 LEU 30 0.468 -2.162 -7.465 157 1HD2 LEU 30 HD21 LEU 30 1.801 -0.297 -4.508 158 2HD2 LEU 30 HD22 LEU 30 0.481 -1.340 -5.036 159 3HD2 LEU 30 HD23 LEU 30 0.603 0.307 -5.652 160 H VAL 31 HN VAL 31 3.862 -5.358 -6.283 161 HA VAL 31 HA VAL 31 6.076 -5.168 -4.600 162 HB VAL 31 HB VAL 31 5.073 -7.595 -6.102 163 1HG1 VAL 31 HG11 VAL 31 6.263 -8.914 -4.415 164 2HG1 VAL 31 HG12 VAL 31 6.936 -7.433 -3.734 165 3HG1 VAL 31 HG13 VAL 31 7.373 -7.930 -5.369 166 1HG2 VAL 31 HG21 VAL 31 4.530 -6.580 -3.318 167 2HG2 VAL 31 HG22 VAL 31 4.007 -8.145 -3.940 168 3HG2 VAL 31 HG23 VAL 31 3.384 -6.658 -4.656 169 H THR 32 HN THR 32 5.909 -6.296 -7.969 170 HA THR 32 HA THR 32 8.717 -6.695 -8.214 171 HB THR 32 HB THR 32 7.127 -7.963 -9.585 172 HG1 THR 32 HG1 THR 32 9.389 -7.311 -10.289 173 1HG2 THR 32 HG21 THR 32 5.460 -6.255 -10.031 174 2HG2 THR 32 HG22 THR 32 6.081 -6.902 -11.551 175 3HG2 THR 32 HG23 THR 32 6.628 -5.329 -10.972 176 H HIS 33 HN HIS 33 6.636 -3.978 -8.664 177 HA HIS 33 HA HIS 33 7.636 -2.485 -10.661 178 1HB HIS 33 HB2 HIS 33 6.373 -1.821 -8.082 179 2HB HIS 33 HB1 HIS 33 7.210 -0.468 -8.876 180 HD1 HIS 33 HD1 HIS 33 4.197 -0.326 -8.623 181 HD2 HIS 33 HD2 HIS 33 6.114 -2.025 -11.892 182 HE1 HIS 33 HE1 HIS 33 2.544 -0.203 -10.518 183 HE2 HIS 33 HE2 HIS 33 3.811 -1.039 -12.533 184 H ILE 34 HN ILE 34 9.102 -2.553 -7.420 185 HA ILE 34 HA ILE 34 11.617 -1.957 -8.706 186 HB ILE 34 HB ILE 34 10.986 0.288 -8.246 187 1HG1 ILE 34 HG12 ILE 34 12.719 0.986 -6.579 188 2HG1 ILE 34 HG11 ILE 34 12.941 -0.712 -6.171 189 1HG2 ILE 34 HG21 ILE 34 10.397 1.106 -6.018 190 2HG2 ILE 34 HG22 ILE 34 10.405 -0.553 -5.421 191 3HG2 ILE 34 HG23 ILE 34 9.230 -0.060 -6.641 192 1HD1 ILE 34 HD11 ILE 34 14.654 0.075 -7.705 193 2HD1 ILE 34 HD12 ILE 34 13.411 0.522 -8.875 194 3HD1 ILE 34 HD13 ILE 34 13.654 -1.173 -8.451 195 H ARG 35 HN ARG 35 10.269 -2.125 -5.386 196 HA ARG 35 HA ARG 35 11.948 -4.446 -4.868 197 1HB ARG 35 HB2 ARG 35 12.327 -1.823 -3.434 198 2HB ARG 35 HB1 ARG 35 12.832 -3.355 -2.739 199 1HG ARG 35 HG2 ARG 35 13.775 -2.624 -5.469 200 2HG ARG 35 HG1 ARG 35 14.516 -1.859 -4.064 201 1HD ARG 35 HD2 ARG 35 15.787 -3.815 -4.742 202 2HD ARG 35 HD1 ARG 35 15.067 -4.065 -3.156 203 HE ARG 35 HE ARG 35 13.569 -5.632 -4.100 204 1HH1 ARG 35 HH11 ARG 35 15.887 -4.379 -6.420 205 2HH1 ARG 35 HH12 ARG 35 15.684 -5.705 -7.530 206 1HH2 ARG 35 HH21 ARG 35 13.335 -7.399 -5.536 207 2HH2 ARG 35 HH22 ARG 35 14.244 -7.431 -7.021 208 H ASN 36 HN ASN 36 9.393 -2.293 -3.987 209 HA ASN 36 HA ASN 36 7.439 -2.626 -2.891 210 1HB ASN 36 HB2 ASN 36 7.233 -4.850 -3.708 211 2HB ASN 36 HB1 ASN 36 8.479 -5.446 -2.618 212 1HD2 ASN 36 HD21 ASN 36 7.942 -6.038 -0.578 213 2HD2 ASN 36 HD22 ASN 36 6.328 -6.021 0.035 214 H THR 37 HN THR 37 10.225 -4.056 -1.218 215 HA THR 37 HA THR 37 9.377 -4.183 1.358 216 HB THR 37 HB THR 37 12.127 -3.192 0.626 217 HG1 THR 37 HG1 THR 37 12.341 -5.710 0.612 218 1HG2 THR 37 HG21 THR 37 12.823 -4.590 2.518 219 2HG2 THR 37 HG22 THR 37 11.143 -5.050 2.800 220 3HG2 THR 37 HG23 THR 37 11.648 -3.374 3.026 221 H GLN 38 HN GLN 38 10.337 -1.232 -0.316 222 HA GLN 38 HA GLN 38 10.779 0.351 1.967 223 1HB GLN 38 HB2 GLN 38 9.955 1.181 -0.814 224 2HB GLN 38 HB1 GLN 38 10.554 2.271 0.432 225 1HG GLN 38 HG2 GLN 38 12.060 0.010 -0.863 226 2HG GLN 38 HG1 GLN 38 12.323 1.736 -1.103 227 1HE2 GLN 38 HE21 GLN 38 14.185 -0.303 -0.187 228 2HE2 GLN 38 HE22 GLN 38 14.738 0.220 1.370 229 H CYS 39 HN CYS 39 7.812 -0.576 0.374 230 HA CYS 39 HA CYS 39 6.277 1.664 1.232 231 1HB CYS 39 HB2 CYS 39 4.383 0.467 0.374 232 2HB CYS 39 HB1 CYS 39 5.726 0.170 -0.710 233 HG CYS 39 HG CYS 39 4.761 -2.271 -0.772 234 H LEU 40 HN LEU 40 6.587 -1.644 2.413 235 HA LEU 40 HA LEU 40 4.685 -1.313 4.488 236 1HB LEU 40 HB2 LEU 40 5.855 -3.544 5.246 237 2HB LEU 40 HB1 LEU 40 4.748 -3.472 3.881 238 HG LEU 40 HG LEU 40 7.021 -3.045 2.538 239 1HD1 LEU 40 HD11 LEU 40 8.410 -3.077 4.568 240 2HD1 LEU 40 HD12 LEU 40 8.836 -4.383 3.463 241 3HD1 LEU 40 HD13 LEU 40 7.879 -4.725 4.904 242 1HD2 LEU 40 HD21 LEU 40 5.429 -4.849 2.118 243 2HD2 LEU 40 HD22 LEU 40 6.086 -5.762 3.477 244 3HD2 LEU 40 HD23 LEU 40 7.090 -5.443 2.064 245 H VAL 41 HN VAL 41 8.194 -1.056 4.373 246 HA VAL 41 HA VAL 41 8.596 -1.132 7.159 247 HB VAL 41 HB VAL 41 10.750 0.058 6.694 248 1HG1 VAL 41 HG11 VAL 41 11.725 -1.853 5.438 249 2HG1 VAL 41 HG12 VAL 41 10.090 -2.422 5.104 250 3HG1 VAL 41 HG13 VAL 41 10.676 -2.353 6.766 251 1HG2 VAL 41 HG21 VAL 41 9.590 0.005 3.928 252 2HG2 VAL 41 HG22 VAL 41 11.337 0.042 4.199 253 3HG2 VAL 41 HG23 VAL 41 10.324 1.358 4.799 254 H ASP 42 HN ASP 42 8.106 1.649 4.962 255 HA ASP 42 HA ASP 42 8.306 3.573 7.039 256 1HB ASP 42 HB2 ASP 42 8.320 3.932 4.456 257 2HB ASP 42 HB1 ASP 42 6.568 4.021 4.632 258 H ASN 43 HN ASN 43 5.731 1.487 5.959 259 HA ASN 43 HA ASN 43 3.662 2.805 7.400 260 1HB ASN 43 HB2 ASN 43 2.848 1.440 5.703 261 2HB ASN 43 HB1 ASN 43 4.022 0.158 6.021 262 1HD2 ASN 43 HD21 ASN 43 3.690 -1.215 7.758 263 2HD2 ASN 43 HD22 ASN 43 2.130 -1.440 8.430 264 H LEU 44 HN LEU 44 6.063 0.366 8.096 265 HA LEU 44 HA LEU 44 4.756 -0.525 10.503 266 1HB LEU 44 HB2 LEU 44 6.434 -2.122 10.733 267 2HB LEU 44 HB1 LEU 44 6.184 -1.999 9.014 268 HG LEU 44 HG LEU 44 8.272 -0.462 9.038 269 1HD1 LEU 44 HD11 LEU 44 8.428 -0.191 11.453 270 2HD1 LEU 44 HD12 LEU 44 9.870 -0.963 10.809 271 3HD1 LEU 44 HD13 LEU 44 8.651 -1.926 11.645 272 1HD2 LEU 44 HD21 LEU 44 8.134 -2.734 8.086 273 2HD2 LEU 44 HD22 LEU 44 8.571 -3.384 9.665 274 3HD2 LEU 44 HD23 LEU 44 9.711 -2.368 8.788 275 H LEU 45 HN LEU 45 7.378 1.545 9.557 276 HA LEU 45 HA LEU 45 8.213 2.434 12.060 277 1HB LEU 45 HB2 LEU 45 9.466 3.085 10.201 278 2HB LEU 45 HB1 LEU 45 8.059 3.580 9.295 279 HG LEU 45 HG LEU 45 9.655 5.396 9.987 280 1HD1 LEU 45 HD11 LEU 45 6.807 5.335 9.924 281 2HD1 LEU 45 HD12 LEU 45 7.918 6.665 9.513 282 3HD1 LEU 45 HD13 LEU 45 7.337 6.488 11.170 283 1HD2 LEU 45 HD21 LEU 45 8.456 4.895 12.706 284 2HD2 LEU 45 HD22 LEU 45 9.470 6.268 12.262 285 3HD2 LEU 45 HD23 LEU 45 10.138 4.635 12.247 286 H LYS 46 HN LYS 46 5.415 3.310 10.096 287 HA LYS 46 HA LYS 46 4.644 5.522 11.712 288 1HB LYS 46 HB2 LYS 46 3.780 4.259 9.265 289 2HB LYS 46 HB1 LYS 46 2.395 4.690 10.270 290 1HG LYS 46 HG2 LYS 46 2.718 6.565 8.938 291 2HG LYS 46 HG1 LYS 46 3.520 6.999 10.448 292 1HD LYS 46 HD2 LYS 46 5.673 6.316 9.477 293 2HD LYS 46 HD1 LYS 46 4.856 5.939 7.962 294 1HE LYS 46 HE2 LYS 46 4.107 8.314 7.865 295 2HE LYS 46 HE1 LYS 46 5.123 8.636 9.271 296 1HZ LYS 46 HZ1 LYS 46 6.144 9.130 7.048 297 2HZ LYS 46 HZ2 LYS 46 6.175 7.458 6.754 298 3HZ LYS 46 HZ3 LYS 46 7.060 8.111 8.045 299 H ASN 47 HN ASN 47 3.620 2.117 11.603 300 HA ASN 47 HA ASN 47 1.639 2.719 13.688 301 1HB ASN 47 HB2 ASN 47 1.938 0.371 11.827 302 2HB ASN 47 HB1 ASN 47 0.812 0.374 13.180 303 1HD2 ASN 47 HD21 ASN 47 -0.948 1.778 13.152 304 2HD2 ASN 47 HD22 ASN 47 -1.510 2.493 11.680 305 H ASP 48 HN ASP 48 4.674 1.311 13.278 306 HA ASP 48 HA ASP 48 6.165 0.372 14.675 307 1HB ASP 48 HB2 ASP 48 5.429 2.384 16.017 308 2HB ASP 48 HB1 ASP 48 4.410 1.290 16.948 309 H TYR 49 HN TYR 49 3.774 -1.303 13.876 310 HA TYR 49 HA TYR 49 4.842 -3.582 15.125 311 1HB TYR 49 HB2 TYR 49 3.046 -4.466 16.397 312 2HB TYR 49 HB1 TYR 49 3.369 -2.848 16.995 313 HD1 TYR 49 HD1 TYR 49 1.725 -1.075 16.728 314 HD2 TYR 49 HD2 TYR 49 0.967 -4.990 15.252 315 HE1 TYR 49 HE1 TYR 49 -0.642 -0.494 16.422 316 HE2 TYR 49 HE2 TYR 49 -1.406 -4.425 14.952 317 HH TYR 49 HH TYR 49 -3.047 -2.864 15.690 318 H PHE 50 HN PHE 50 2.509 -2.142 13.004 319 HA PHE 50 HA PHE 50 1.944 -4.565 11.544 320 1HB PHE 50 HB2 PHE 50 1.694 -1.617 10.915 321 2HB PHE 50 HB1 PHE 50 1.378 -2.852 9.698 322 HD1 PHE 50 HD1 PHE 50 -0.126 -0.800 12.016 323 HD2 PHE 50 HD2 PHE 50 -0.176 -4.833 10.646 324 HE1 PHE 50 HE1 PHE 50 -2.412 -1.055 12.878 325 HE2 PHE 50 HE2 PHE 50 -2.466 -5.092 11.513 326 HZ PHE 50 HZ PHE 50 -3.584 -3.206 12.627 327 H SER 51 HN SER 51 4.406 -4.839 12.045 328 HA SER 51 HA SER 51 6.074 -3.744 9.925 329 1HB SER 51 HB2 SER 51 7.925 -4.717 11.376 330 2HB SER 51 HB1 SER 51 7.010 -3.379 12.075 331 HG SER 51 HG SER 51 7.423 -5.473 13.325 332 H ALA 52 HN ALA 52 7.925 -5.431 9.437 333 HA ALA 52 HA ALA 52 6.970 -7.421 7.827 334 1HB ALA 52 HB1 ALA 52 9.600 -7.428 9.298 335 2HB ALA 52 HB2 ALA 52 9.273 -6.635 7.757 336 3HB ALA 52 HB3 ALA 52 9.207 -8.394 7.874 337 H GLU 53 HN GLU 53 7.535 -7.603 11.309 338 HA GLU 53 HA GLU 53 7.365 -10.431 11.513 339 1HB GLU 53 HB2 GLU 53 6.820 -8.258 13.541 340 2HB GLU 53 HB1 GLU 53 6.889 -9.973 13.925 341 1HG GLU 53 HG2 GLU 53 9.155 -8.386 12.737 342 2HG GLU 53 HG1 GLU 53 8.974 -8.770 14.449 343 H ASP 54 HN ASP 54 4.919 -7.878 12.054 344 HA ASP 54 HA ASP 54 2.739 -9.645 12.451 345 1HB ASP 54 HB2 ASP 54 2.179 -7.535 13.173 346 2HB ASP 54 HB1 ASP 54 3.070 -6.737 11.886 347 H ALA 55 HN ALA 55 3.971 -7.943 9.657 348 HA ALA 55 HA ALA 55 2.184 -8.776 7.741 349 1HB ALA 55 HB1 ALA 55 3.851 -7.035 7.344 350 2HB ALA 55 HB2 ALA 55 3.950 -8.282 6.101 351 3HB ALA 55 HB3 ALA 55 5.142 -8.236 7.399 352 H GLU 56 HN GLU 56 5.200 -10.371 8.778 353 HA GLU 56 HA GLU 56 5.192 -12.403 6.843 354 1HB GLU 56 HB2 GLU 56 7.161 -11.774 8.189 355 2HB GLU 56 HB1 GLU 56 6.393 -12.452 9.615 356 1HG GLU 56 HG2 GLU 56 8.059 -13.960 8.720 357 2HG GLU 56 HG1 GLU 56 6.451 -14.667 8.605 358 H ILE 57 HN ILE 57 3.783 -12.306 10.098 359 HA ILE 57 HA ILE 57 3.206 -15.073 10.215 360 HB ILE 57 HB ILE 57 1.780 -12.854 11.690 361 1HG1 ILE 57 HG12 ILE 57 4.091 -12.623 12.196 362 2HG1 ILE 57 HG11 ILE 57 3.379 -13.492 13.549 363 1HG2 ILE 57 HG21 ILE 57 0.573 -14.951 11.781 364 2HG2 ILE 57 HG22 ILE 57 1.292 -14.596 13.352 365 3HG2 ILE 57 HG23 ILE 57 2.034 -15.797 12.294 366 1HD1 ILE 57 HD11 ILE 57 5.056 -14.621 11.328 367 2HD1 ILE 57 HD12 ILE 57 4.201 -15.610 12.517 368 3HD1 ILE 57 HD13 ILE 57 5.470 -14.498 13.040 369 H VAL 58 HN VAL 58 1.142 -12.286 9.442 370 HA VAL 58 HA VAL 58 -1.147 -13.901 8.922 371 HB VAL 58 HB VAL 58 -0.662 -11.029 8.125 372 1HG1 VAL 58 HG11 VAL 58 -2.492 -12.035 6.873 373 2HG1 VAL 58 HG12 VAL 58 -3.115 -10.880 8.051 374 3HG1 VAL 58 HG13 VAL 58 -3.222 -12.610 8.373 375 1HG2 VAL 58 HG21 VAL 58 -0.427 -11.345 10.529 376 2HG2 VAL 58 HG22 VAL 58 -1.975 -12.186 10.583 377 3HG2 VAL 58 HG23 VAL 58 -1.917 -10.475 10.162 378 H CYS 59 HN CYS 59 1.404 -12.560 6.907 379 HA CYS 59 HA CYS 59 0.133 -12.639 4.423 380 1HB CYS 59 HB2 CYS 59 2.263 -12.379 3.422 381 2HB CYS 59 HB1 CYS 59 2.332 -11.519 4.953 382 HG CYS 59 HG CYS 59 3.570 -13.951 6.137 383 H ALA 60 HN ALA 60 1.336 -15.240 6.314 384 HA ALA 60 HA ALA 60 2.217 -17.116 4.536 385 1HB ALA 60 HB1 ALA 60 2.193 -17.371 6.980 386 2HB ALA 60 HB2 ALA 60 1.584 -18.797 6.141 387 3HB ALA 60 HB3 ALA 60 0.457 -17.680 6.911 388 H CYS 61 HN CYS 61 -1.083 -16.022 4.874 389 HA CYS 61 HA CYS 61 -1.954 -18.182 3.095 390 1HB CYS 61 HB2 CYS 61 -3.651 -16.281 4.716 391 2HB CYS 61 HB1 CYS 61 -4.250 -17.614 3.731 392 HG CYS 61 HG CYS 61 -2.075 -18.953 5.701 393 HA PRO 62 HA PRO 62 -3.498 -14.453 0.573 394 1HB PRO 62 HB2 PRO 62 -3.156 -11.953 1.956 395 2HB PRO 62 HB1 PRO 62 -4.657 -12.761 1.521 396 1HG PRO 62 HG2 PRO 62 -3.816 -12.424 4.097 397 2HG PRO 62 HG1 PRO 62 -4.858 -13.761 3.578 398 1HD PRO 62 HD2 PRO 62 -1.887 -13.739 4.015 399 2HD PRO 62 HD1 PRO 62 -3.089 -14.948 4.524 400 H THR 63 HN THR 63 -0.616 -15.074 1.189 401 HA THR 63 HA THR 63 1.495 -14.451 0.727 402 HB THR 63 HB THR 63 1.922 -13.200 -1.356 403 HG1 THR 63 HG1 THR 63 -0.750 -12.502 -1.030 404 1HG2 THR 63 HG21 THR 63 -0.256 -15.273 -1.607 405 2HG2 THR 63 HG22 THR 63 1.472 -15.592 -1.461 406 3HG2 THR 63 HG23 THR 63 0.846 -14.771 -2.890 407 H GLN 64 HN GLN 64 2.961 -12.353 0.234 408 HA GLN 64 HA GLN 64 2.592 -10.768 2.550 409 1HB GLN 64 HB2 GLN 64 4.826 -11.391 1.640 410 2HB GLN 64 HB1 GLN 64 4.545 -10.269 0.316 411 1HG GLN 64 HG2 GLN 64 4.535 -8.403 1.786 412 2HG GLN 64 HG1 GLN 64 4.518 -9.447 3.206 413 1HE2 GLN 64 HE21 GLN 64 6.402 -10.516 3.812 414 2HE2 GLN 64 HE22 GLN 64 7.958 -10.022 3.240 415 HA PRO 65 HA PRO 65 1.678 -7.227 -0.678 416 1HB PRO 65 HB2 PRO 65 0.094 -8.211 -2.718 417 2HB PRO 65 HB1 PRO 65 1.784 -7.720 -2.850 418 1HG PRO 65 HG2 PRO 65 0.595 -10.436 -2.552 419 2HG PRO 65 HG1 PRO 65 2.017 -9.922 -3.480 420 1HD PRO 65 HD2 PRO 65 2.250 -11.197 -1.132 421 2HD PRO 65 HD1 PRO 65 3.387 -9.922 -1.619 422 H ASP 66 HN ASP 66 -0.795 -9.912 -0.274 423 HA ASP 66 HA ASP 66 -2.851 -7.947 0.089 424 1HB ASP 66 HB2 ASP 66 -2.700 -10.880 0.444 425 2HB ASP 66 HB1 ASP 66 -3.897 -10.030 1.415 426 H LYS 67 HN LYS 67 -0.589 -9.589 2.156 427 HA LYS 67 HA LYS 67 -1.635 -8.809 4.628 428 1HB LYS 67 HB2 LYS 67 0.077 -10.496 4.493 429 2HB LYS 67 HB1 LYS 67 1.223 -9.333 3.804 430 1HG LYS 67 HG2 LYS 67 1.646 -9.776 6.171 431 2HG LYS 67 HG1 LYS 67 1.239 -8.086 5.872 432 1HD LYS 67 HD2 LYS 67 -1.150 -8.721 6.476 433 2HD LYS 67 HD1 LYS 67 -0.476 -10.234 7.085 434 1HE LYS 67 HE2 LYS 67 -0.783 -8.486 8.829 435 2HE LYS 67 HE1 LYS 67 0.881 -9.046 8.692 436 1HZ LYS 67 HZ1 LYS 67 1.398 -7.110 7.380 437 2HZ LYS 67 HZ2 LYS 67 0.768 -6.665 8.888 438 3HZ LYS 67 HZ3 LYS 67 -0.198 -6.567 7.494 439 H VAL 68 HN VAL 68 0.523 -7.065 2.393 440 HA VAL 68 HA VAL 68 0.897 -4.910 4.211 441 HB VAL 68 HB VAL 68 1.792 -3.592 2.376 442 1HG1 VAL 68 HG11 VAL 68 2.716 -6.421 2.666 443 2HG1 VAL 68 HG12 VAL 68 3.361 -4.964 3.418 444 3HG1 VAL 68 HG13 VAL 68 3.605 -5.250 1.694 445 1HG2 VAL 68 HG21 VAL 68 0.992 -5.891 0.599 446 2HG2 VAL 68 HG22 VAL 68 2.038 -4.554 0.122 447 3HG2 VAL 68 HG23 VAL 68 0.353 -4.248 0.547 448 H ARG 69 HN ARG 69 -1.505 -5.466 1.616 449 HA ARG 69 HA ARG 69 -2.682 -2.926 1.855 450 1HB ARG 69 HB2 ARG 69 -4.482 -3.701 0.641 451 2HB ARG 69 HB1 ARG 69 -3.228 -4.828 0.162 452 1HG ARG 69 HG2 ARG 69 -5.009 -6.226 0.499 453 2HG ARG 69 HG1 ARG 69 -4.205 -6.310 2.065 454 1HD ARG 69 HD2 ARG 69 -5.775 -4.666 2.966 455 2HD ARG 69 HD1 ARG 69 -6.572 -4.553 1.396 456 HE ARG 69 HE ARG 69 -6.521 -7.249 2.264 457 1HH1 ARG 69 HH11 ARG 69 -8.130 -4.195 2.975 458 2HH1 ARG 69 HH12 ARG 69 -9.578 -4.970 3.564 459 1HH2 ARG 69 HH21 ARG 69 -8.390 -8.237 3.096 460 2HH2 ARG 69 HH22 ARG 69 -9.703 -7.252 3.666 461 H LYS 70 HN LYS 70 -2.926 -5.819 3.784 462 HA LYS 70 HA LYS 70 -4.991 -5.084 5.506 463 1HB LYS 70 HB2 LYS 70 -4.228 -7.315 5.568 464 2HB LYS 70 HB1 LYS 70 -2.563 -6.832 5.819 465 1HG LYS 70 HG2 LYS 70 -4.633 -6.281 7.907 466 2HG LYS 70 HG1 LYS 70 -3.895 -7.876 7.768 467 1HD LYS 70 HD2 LYS 70 -1.655 -6.546 7.790 468 2HD LYS 70 HD1 LYS 70 -2.631 -5.255 8.486 469 1HE LYS 70 HE2 LYS 70 -2.165 -8.027 9.588 470 2HE LYS 70 HE1 LYS 70 -1.614 -6.500 10.273 471 1HZ LYS 70 HZ1 LYS 70 -4.409 -7.511 10.117 472 2HZ LYS 70 HZ2 LYS 70 -4.025 -5.920 10.544 473 3HZ LYS 70 HZ3 LYS 70 -3.497 -7.199 11.513 474 H ILE 71 HN ILE 71 -1.500 -4.302 5.677 475 HA ILE 71 HA ILE 71 -1.763 -3.084 8.233 476 HB ILE 71 HB ILE 71 0.467 -2.089 7.873 477 1HG1 ILE 71 HG12 ILE 71 0.229 -3.392 5.167 478 2HG1 ILE 71 HG11 ILE 71 0.669 -1.728 5.546 479 1HG2 ILE 71 HG21 ILE 71 0.193 -4.243 8.905 480 2HG2 ILE 71 HG22 ILE 71 1.672 -4.200 7.945 481 3HG2 ILE 71 HG23 ILE 71 0.243 -5.029 7.327 482 1HD1 ILE 71 HD11 ILE 71 2.369 -4.201 5.963 483 2HD1 ILE 71 HD12 ILE 71 2.790 -2.581 6.530 484 3HD1 ILE 71 HD13 ILE 71 2.621 -2.891 4.803 485 H LEU 72 HN LEU 72 -1.732 -1.786 4.921 486 HA LEU 72 HA LEU 72 -2.003 0.909 5.760 487 1HB LEU 72 HB2 LEU 72 -3.083 -0.179 3.165 488 2HB LEU 72 HB1 LEU 72 -2.706 1.487 3.560 489 HG LEU 72 HG LEU 72 -0.792 1.209 2.493 490 1HD1 LEU 72 HD11 LEU 72 0.129 0.962 4.734 491 2HD1 LEU 72 HD12 LEU 72 1.052 0.035 3.551 492 3HD1 LEU 72 HD13 LEU 72 -0.077 -0.786 4.630 493 1HD2 LEU 72 HD21 LEU 72 -1.226 -1.757 2.580 494 2HD2 LEU 72 HD22 LEU 72 -0.076 -0.903 1.551 495 3HD2 LEU 72 HD23 LEU 72 -1.811 -0.672 1.321 496 H ASP 73 HN ASP 73 -4.224 -1.720 5.293 497 HA ASP 73 HA ASP 73 -6.610 -0.256 5.058 498 1HB ASP 73 HB2 ASP 73 -5.914 -2.947 5.003 499 2HB ASP 73 HB1 ASP 73 -6.950 -2.805 6.418 500 H LEU 74 HN LEU 74 -5.003 -1.682 7.891 501 HA LEU 74 HA LEU 74 -7.104 -0.813 9.632 502 1HB LEU 74 HB2 LEU 74 -4.470 -2.142 10.042 503 2HB LEU 74 HB1 LEU 74 -5.261 -1.379 11.419 504 HG LEU 74 HG LEU 74 -7.289 -2.779 10.927 505 1HD1 LEU 74 HD11 LEU 74 -6.841 -3.293 8.597 506 2HD1 LEU 74 HD12 LEU 74 -7.008 -4.771 9.546 507 3HD1 LEU 74 HD13 LEU 74 -5.407 -4.210 9.062 508 1HD2 LEU 74 HD21 LEU 74 -4.727 -4.233 11.554 509 2HD2 LEU 74 HD22 LEU 74 -6.352 -4.829 11.894 510 3HD2 LEU 74 HD23 LEU 74 -5.757 -3.378 12.703 511 H VAL 75 HN VAL 75 -4.049 0.540 8.582 512 HA VAL 75 HA VAL 75 -3.906 2.527 10.612 513 HB VAL 75 HB VAL 75 -1.969 1.847 9.104 514 1HG1 VAL 75 HG11 VAL 75 -3.062 1.997 6.965 515 2HG1 VAL 75 HG12 VAL 75 -1.690 3.104 7.036 516 3HG1 VAL 75 HG13 VAL 75 -3.334 3.723 7.199 517 1HG2 VAL 75 HG21 VAL 75 -1.036 4.160 9.090 518 2HG2 VAL 75 HG22 VAL 75 -1.760 3.681 10.627 519 3HG2 VAL 75 HG23 VAL 75 -2.639 4.752 9.536 520 H GLN 76 HN GLN 76 -5.323 2.417 7.400 521 HA GLN 76 HA GLN 76 -6.881 3.650 6.343 522 1HB GLN 76 HB2 GLN 76 -7.511 4.415 9.182 523 2HB GLN 76 HB1 GLN 76 -8.476 4.957 7.813 524 1HG GLN 76 HG2 GLN 76 -9.164 2.790 7.289 525 2HG GLN 76 HG1 GLN 76 -7.908 2.054 8.284 526 1HE2 GLN 76 HE21 GLN 76 -8.182 1.970 10.511 527 2HE2 GLN 76 HE22 GLN 76 -9.726 2.213 11.261 528 H SER 77 HN SER 77 -4.175 4.917 7.199 529 HA SER 77 HA SER 77 -4.583 7.319 5.746 530 1HB SER 77 HB2 SER 77 -3.852 8.876 7.606 531 2HB SER 77 HB1 SER 77 -5.478 8.219 7.779 532 HG SER 77 HG SER 77 -4.885 7.289 9.562 533 H LYS 78 HN LYS 78 -2.333 6.575 8.411 534 HA LYS 78 HA LYS 78 -0.102 7.607 7.114 535 1HB LYS 78 HB2 LYS 78 -0.160 5.503 9.282 536 2HB LYS 78 HB1 LYS 78 1.273 6.426 8.805 537 1HG LYS 78 HG2 LYS 78 -1.206 7.368 10.214 538 2HG LYS 78 HG1 LYS 78 0.479 7.507 10.715 539 1HD LYS 78 HD2 LYS 78 -0.848 8.986 8.444 540 2HD LYS 78 HD1 LYS 78 -0.370 9.666 9.998 541 1HE LYS 78 HE2 LYS 78 1.979 9.143 9.472 542 2HE LYS 78 HE1 LYS 78 1.468 8.520 7.900 543 1HZ LYS 78 HZ1 LYS 78 2.309 10.872 7.916 544 2HZ LYS 78 HZ2 LYS 78 0.912 11.295 8.782 545 3HZ LYS 78 HZ3 LYS 78 0.777 10.652 7.219 546 H GLY 79 HN GLY 79 -0.589 4.134 7.749 547 1HA GLY 79 HA2 GLY 79 1.459 3.149 6.206 548 2HA GLY 79 HA1 GLY 79 -0.041 2.292 6.526 549 H GLU 80 HN GLU 80 -1.907 3.682 5.202 550 HA GLU 80 HA GLU 80 -1.739 2.773 2.604 551 1HB GLU 80 HB2 GLU 80 -3.878 3.339 3.411 552 2HB GLU 80 HB1 GLU 80 -3.373 4.966 3.864 553 1HG GLU 80 HG2 GLU 80 -3.086 5.472 1.447 554 2HG GLU 80 HG1 GLU 80 -3.788 3.898 1.087 555 H GLU 81 HN GLU 81 -1.129 6.111 3.742 556 HA GLU 81 HA GLU 81 -0.472 7.019 1.115 557 1HB GLU 81 HB2 GLU 81 -1.437 8.545 2.750 558 2HB GLU 81 HB1 GLU 81 -0.043 8.328 3.801 559 1HG GLU 81 HG2 GLU 81 1.391 9.329 2.086 560 2HG GLU 81 HG1 GLU 81 -0.023 9.573 1.060 561 H VAL 82 HN VAL 82 1.398 6.138 3.981 562 HA VAL 82 HA VAL 82 3.850 7.075 2.886 563 HB VAL 82 HB VAL 82 4.956 6.078 4.772 564 1HG1 VAL 82 HG11 VAL 82 2.319 7.333 5.513 565 2HG1 VAL 82 HG12 VAL 82 3.820 8.177 5.126 566 3HG1 VAL 82 HG13 VAL 82 3.714 7.187 6.582 567 1HG2 VAL 82 HG21 VAL 82 2.325 4.747 5.428 568 2HG2 VAL 82 HG22 VAL 82 3.772 4.730 6.436 569 3HG2 VAL 82 HG23 VAL 82 3.784 3.934 4.863 570 H SER 83 HN SER 83 2.235 3.950 2.900 571 HA SER 83 HA SER 83 4.454 2.414 2.075 572 1HB SER 83 HB2 SER 83 2.760 0.746 1.367 573 2HB SER 83 HB1 SER 83 2.416 1.383 2.970 574 HG SER 83 HG SER 83 0.789 2.620 2.125 575 H GLU 84 HN GLU 84 1.806 3.943 0.191 576 HA GLU 84 HA GLU 84 2.976 3.259 -2.295 577 1HB GLU 84 HB2 GLU 84 1.461 4.977 -3.271 578 2HB GLU 84 HB1 GLU 84 0.638 3.806 -2.250 579 1HG GLU 84 HG2 GLU 84 0.580 5.430 -0.428 580 2HG GLU 84 HG1 GLU 84 1.408 6.603 -1.451 581 H PHE 85 HN PHE 85 3.156 6.189 -0.298 582 HA PHE 85 HA PHE 85 4.461 7.773 -2.205 583 1HB PHE 85 HB2 PHE 85 3.321 8.678 -0.222 584 2HB PHE 85 HB1 PHE 85 4.575 7.998 0.808 585 HD1 PHE 85 HD1 PHE 85 6.449 9.247 1.333 586 HD2 PHE 85 HD2 PHE 85 4.059 10.373 -2.002 587 HE1 PHE 85 HE1 PHE 85 7.760 11.316 1.100 588 HE2 PHE 85 HE2 PHE 85 5.363 12.445 -2.243 589 HZ PHE 85 HZ PHE 85 7.217 12.920 -0.691 590 H PHE 86 HN PHE 86 5.851 5.806 0.438 591 HA PHE 86 HA PHE 86 8.492 6.791 -0.030 592 1HB PHE 86 HB2 PHE 86 7.482 5.867 2.153 593 2HB PHE 86 HB1 PHE 86 7.819 4.268 1.477 594 HD1 PHE 86 HD1 PHE 86 9.924 3.326 1.698 595 HD2 PHE 86 HD2 PHE 86 9.419 7.493 2.376 596 HE1 PHE 86 HE1 PHE 86 12.228 3.469 2.523 597 HE2 PHE 86 HE2 PHE 86 11.729 7.642 3.208 598 HZ PHE 86 HZ PHE 86 13.139 5.627 3.282 599 H LEU 87 HN LEU 87 6.817 3.763 -0.763 600 HA LEU 87 HA LEU 87 9.034 2.508 -2.002 601 1HB LEU 87 HB2 LEU 87 7.470 0.975 -1.381 602 2HB LEU 87 HB1 LEU 87 6.110 1.974 -1.817 603 HG LEU 87 HG LEU 87 6.783 1.490 -4.257 604 1HD1 LEU 87 HD11 LEU 87 8.306 -0.689 -2.840 605 2HD1 LEU 87 HD12 LEU 87 9.001 0.620 -3.797 606 3HD1 LEU 87 HD13 LEU 87 8.002 -0.608 -4.576 607 1HD2 LEU 87 HD21 LEU 87 5.764 -0.732 -2.488 608 2HD2 LEU 87 HD22 LEU 87 5.573 -0.640 -4.239 609 3HD2 LEU 87 HD23 LEU 87 4.796 0.558 -3.204 610 H TYR 88 HN TYR 88 6.500 4.625 -3.168 611 HA TYR 88 HA TYR 88 7.213 4.415 -5.919 612 1HB TYR 88 HB2 TYR 88 5.564 6.445 -4.416 613 2HB TYR 88 HB1 TYR 88 5.869 6.557 -6.149 614 HD1 TYR 88 HD1 TYR 88 5.881 3.238 -5.862 615 HD2 TYR 88 HD2 TYR 88 3.122 6.437 -5.349 616 HE1 TYR 88 HE1 TYR 88 4.037 1.688 -6.301 617 HE2 TYR 88 HE2 TYR 88 1.255 4.898 -5.792 618 HH TYR 88 HH TYR 88 0.782 2.822 -6.776 619 H LEU 89 HN LEU 89 8.341 6.445 -3.272 620 HA LEU 89 HA LEU 89 9.719 8.398 -4.659 621 1HB LEU 89 HB2 LEU 89 10.716 6.830 -2.267 622 2HB LEU 89 HB1 LEU 89 11.409 8.332 -2.839 623 HG LEU 89 HG LEU 89 8.605 8.025 -1.760 624 1HD1 LEU 89 HD11 LEU 89 9.460 9.241 0.188 625 2HD1 LEU 89 HD12 LEU 89 11.088 9.176 -0.488 626 3HD1 LEU 89 HD13 LEU 89 10.268 7.687 -0.018 627 1HD2 LEU 89 HD21 LEU 89 8.596 10.466 -1.757 628 2HD2 LEU 89 HD22 LEU 89 8.839 9.840 -3.388 629 3HD2 LEU 89 HD23 LEU 89 10.206 10.482 -2.477 630 H LEU 90 HN LEU 90 10.868 5.137 -3.795 631 HA LEU 90 HA LEU 90 13.126 5.261 -5.525 632 1HB LEU 90 HB2 LEU 90 11.690 2.940 -4.271 633 2HB LEU 90 HB1 LEU 90 13.095 2.738 -5.302 634 HG LEU 90 HG LEU 90 12.966 4.131 -2.632 635 1HD1 LEU 90 HD11 LEU 90 14.647 2.464 -2.017 636 2HD1 LEU 90 HD12 LEU 90 14.522 1.749 -3.625 637 3HD1 LEU 90 HD13 LEU 90 13.137 1.714 -2.534 638 1HD2 LEU 90 HD21 LEU 90 15.262 4.025 -4.590 639 2HD2 LEU 90 HD22 LEU 90 15.352 4.620 -2.931 640 3HD2 LEU 90 HD23 LEU 90 14.356 5.463 -4.118 641 H GLN 91 HN GLN 91 9.785 4.242 -6.049 642 HA GLN 91 HA GLN 91 10.412 2.677 -8.360 643 1HB GLN 91 HB2 GLN 91 8.507 2.281 -6.755 644 2HB GLN 91 HB1 GLN 91 7.689 3.616 -7.523 645 1HG GLN 91 HG2 GLN 91 8.099 2.271 -9.702 646 2HG GLN 91 HG1 GLN 91 8.262 0.916 -8.580 647 1HE2 GLN 91 HE21 GLN 91 6.126 3.145 -10.054 648 2HE2 GLN 91 HE22 GLN 91 4.660 2.524 -9.393 649 H GLN 92 HN GLN 92 8.734 5.785 -7.920 650 HA GLN 92 HA GLN 92 9.467 7.226 -10.059 651 1HB GLN 92 HB2 GLN 92 7.535 6.782 -11.742 652 2HB GLN 92 HB1 GLN 92 8.943 5.717 -11.775 653 1HG GLN 92 HG2 GLN 92 7.388 4.307 -10.115 654 2HG GLN 92 HG1 GLN 92 6.143 5.160 -11.015 655 1HE2 GLN 92 HE21 GLN 92 5.424 3.238 -11.971 656 2HE2 GLN 92 HE22 GLN 92 6.330 2.463 -13.231 657 H LEU 93 HN LEU 93 8.863 8.931 -8.819 658 HA LEU 93 HA LEU 93 6.426 9.163 -7.430 659 1HB LEU 93 HB2 LEU 93 8.412 11.230 -8.347 660 2HB LEU 93 HB1 LEU 93 6.961 11.662 -7.467 661 HG LEU 93 HG LEU 93 8.675 11.596 -5.864 662 1HD1 LEU 93 HD11 LEU 93 7.222 8.961 -5.737 663 2HD1 LEU 93 HD12 LEU 93 6.627 10.511 -5.142 664 3HD1 LEU 93 HD13 LEU 93 8.034 9.760 -4.392 665 1HD2 LEU 93 HD21 LEU 93 10.349 10.420 -7.195 666 2HD2 LEU 93 HD22 LEU 93 9.480 8.904 -6.954 667 3HD2 LEU 93 HD23 LEU 93 10.213 9.730 -5.578 668 H ALA 94 HN ALA 94 7.467 10.506 -10.530 669 HA ALA 94 HA ALA 94 5.074 11.922 -11.026 670 1HB ALA 94 HB1 ALA 94 7.213 10.950 -12.911 671 2HB ALA 94 HB2 ALA 94 7.131 12.530 -12.127 672 3HB ALA 94 HB3 ALA 94 5.930 12.083 -13.340 673 H ASP 95 HN ASP 95 6.178 8.677 -11.889 674 HA ASP 95 HA ASP 95 3.968 8.254 -13.661 675 1HB ASP 95 HB2 ASP 95 6.206 7.155 -13.960 676 2HB ASP 95 HB1 ASP 95 5.801 6.132 -12.581 677 H ALA 96 HN ALA 96 4.875 7.079 -10.455 678 HA ALA 96 HA ALA 96 2.607 5.311 -10.342 679 1HB ALA 96 HB1 ALA 96 3.461 4.646 -8.206 680 2HB ALA 96 HB2 ALA 96 4.572 6.016 -8.186 681 3HB ALA 96 HB3 ALA 96 4.779 4.731 -9.376 682 H TYR 97 HN TYR 97 3.474 8.404 -8.783 683 HA TYR 97 HA TYR 97 1.267 8.165 -6.958 684 1HB TYR 97 HB2 TYR 97 3.564 9.433 -6.672 685 2HB TYR 97 HB1 TYR 97 2.653 10.775 -7.358 686 HD1 TYR 97 HD1 TYR 97 2.723 8.345 -4.569 687 HD2 TYR 97 HD2 TYR 97 1.090 11.991 -6.037 688 HE1 TYR 97 HE1 TYR 97 1.748 8.790 -2.358 689 HE2 TYR 97 HE2 TYR 97 0.106 12.446 -3.827 690 HH TYR 97 HH TYR 97 0.916 10.551 -1.034 691 H VAL 98 HN VAL 98 1.920 10.149 -9.853 692 HA VAL 98 HA VAL 98 -0.556 11.522 -9.755 693 HB VAL 98 HB VAL 98 1.138 10.896 -12.180 694 1HG1 VAL 98 HG11 VAL 98 -1.001 12.987 -11.783 695 2HG1 VAL 98 HG12 VAL 98 -1.136 11.545 -12.790 696 3HG1 VAL 98 HG13 VAL 98 0.018 12.811 -13.212 697 1HG2 VAL 98 HG21 VAL 98 1.107 13.305 -10.369 698 2HG2 VAL 98 HG22 VAL 98 2.045 13.152 -11.855 699 3HG2 VAL 98 HG23 VAL 98 2.390 12.099 -10.482 700 H ASP 99 HN ASP 99 0.430 8.458 -11.198 701 HA ASP 99 HA ASP 99 -2.089 7.931 -12.452 702 1HB ASP 99 HB2 ASP 99 0.398 6.362 -11.940 703 2HB ASP 99 HB1 ASP 99 -1.074 5.483 -12.333 704 H LEU 100 HN LEU 100 -0.912 7.681 -9.284 705 HA LEU 100 HA LEU 100 -2.237 5.467 -8.244 706 1HB LEU 100 HB2 LEU 100 -0.451 6.998 -7.219 707 2HB LEU 100 HB1 LEU 100 -1.771 8.049 -6.761 708 HG LEU 100 HG LEU 100 -0.926 6.580 -4.938 709 1HD1 LEU 100 HD11 LEU 100 -3.150 7.521 -4.810 710 2HD1 LEU 100 HD12 LEU 100 -3.123 5.898 -4.124 711 3HD1 LEU 100 HD13 LEU 100 -3.798 6.165 -5.731 712 1HD2 LEU 100 HD21 LEU 100 -2.126 4.384 -6.620 713 2HD2 LEU 100 HD22 LEU 100 -1.568 4.212 -4.956 714 3HD2 LEU 100 HD23 LEU 100 -0.418 4.598 -6.235 715 H ARG 101 HN ARG 101 -3.332 8.774 -8.732 716 HA ARG 101 HA ARG 101 -5.734 8.527 -7.268 717 1HB ARG 101 HB2 ARG 101 -4.851 10.513 -9.362 718 2HB ARG 101 HB1 ARG 101 -6.359 10.657 -8.461 719 1HG ARG 101 HG2 ARG 101 -5.188 10.833 -6.388 720 2HG ARG 101 HG1 ARG 101 -3.653 10.452 -7.166 721 1HD ARG 101 HD2 ARG 101 -3.694 12.545 -8.367 722 2HD ARG 101 HD1 ARG 101 -5.307 12.909 -7.743 723 HE ARG 101 HE ARG 101 -4.288 13.001 -5.510 724 1HH1 ARG 101 HH11 ARG 101 -2.216 13.429 -8.308 725 2HH1 ARG 101 HH12 ARG 101 -0.946 14.183 -7.393 726 1HH2 ARG 101 HH21 ARG 101 -2.622 14.013 -4.324 727 2HH2 ARG 101 HH22 ARG 101 -1.168 14.509 -5.140 728 HA PRO 102 HA PRO 102 -7.845 7.633 -11.625 729 1HB PRO 102 HB2 PRO 102 -5.434 6.504 -12.963 730 2HB PRO 102 HB1 PRO 102 -6.789 7.406 -13.653 731 1HG PRO 102 HG2 PRO 102 -4.443 8.589 -13.304 732 2HG PRO 102 HG1 PRO 102 -5.951 9.456 -12.957 733 1HD PRO 102 HD2 PRO 102 -4.009 8.198 -11.058 734 2HD PRO 102 HD1 PRO 102 -4.899 9.727 -10.913 735 H TRP 103 HN TRP 103 -5.087 5.681 -10.448 736 HA TRP 103 HA TRP 103 -6.062 3.157 -11.131 737 1HB TRP 103 HB2 TRP 103 -4.224 4.061 -8.926 738 2HB TRP 103 HB1 TRP 103 -4.678 2.370 -9.093 739 HD1 TRP 103 HD1 TRP 103 -4.526 2.657 -12.450 740 HE1 TRP 103 HE1 TRP 103 -2.170 2.484 -13.484 741 HE3 TRP 103 HE3 TRP 103 -1.732 3.683 -8.288 742 HZ2 TRP 103 HZ2 TRP 103 0.511 2.750 -12.640 743 HZ3 TRP 103 HZ3 TRP 103 0.718 3.701 -8.484 744 HH2 TRP 103 HH2 TRP 103 1.826 3.247 -10.618 745 H LEU 104 HN LEU 104 -6.471 4.920 -8.055 746 HA LEU 104 HA LEU 104 -7.982 2.887 -6.825 747 1HB LEU 104 HB2 LEU 104 -8.604 4.563 -5.144 748 2HB LEU 104 HB1 LEU 104 -6.883 4.514 -5.461 749 HG LEU 104 HG LEU 104 -7.509 6.522 -7.100 750 1HD1 LEU 104 HD11 LEU 104 -9.903 6.430 -6.645 751 2HD1 LEU 104 HD12 LEU 104 -9.208 7.956 -6.101 752 3HD1 LEU 104 HD13 LEU 104 -9.595 6.695 -4.929 753 1HD2 LEU 104 HD21 LEU 104 -5.876 6.595 -5.295 754 2HD2 LEU 104 HD22 LEU 104 -7.173 6.776 -4.114 755 3HD2 LEU 104 HD23 LEU 104 -6.877 8.048 -5.299 756 H LEU 105 HN LEU 105 -8.904 5.512 -8.928 757 HA LEU 105 HA LEU 105 -11.687 5.450 -8.403 758 1HB LEU 105 HB2 LEU 105 -10.205 6.258 -10.910 759 2HB LEU 105 HB1 LEU 105 -11.894 6.597 -10.583 760 HG LEU 105 HG LEU 105 -9.580 7.659 -8.960 761 1HD1 LEU 105 HD11 LEU 105 -9.625 8.590 -11.222 762 2HD1 LEU 105 HD12 LEU 105 -10.063 9.797 -10.013 763 3HD1 LEU 105 HD13 LEU 105 -11.315 9.043 -11.000 764 1HD2 LEU 105 HD21 LEU 105 -12.529 8.289 -8.893 765 2HD2 LEU 105 HD22 LEU 105 -11.281 9.112 -7.956 766 3HD2 LEU 105 HD23 LEU 105 -11.625 7.406 -7.663 767 H GLU 106 HN GLU 106 -9.643 3.888 -10.830 768 HA GLU 106 HA GLU 106 -11.717 2.629 -12.259 769 1HB GLU 106 HB2 GLU 106 -8.803 1.861 -12.042 770 2HB GLU 106 HB1 GLU 106 -9.924 1.279 -13.267 771 1HG GLU 106 HG2 GLU 106 -10.196 3.523 -14.129 772 2HG GLU 106 HG1 GLU 106 -9.147 4.157 -12.860 773 H ILE 107 HN ILE 107 -9.688 1.510 -9.578 774 HA ILE 107 HA ILE 107 -10.820 -1.137 -9.668 775 HB ILE 107 HB ILE 107 -9.534 -1.580 -7.621 776 1HG1 ILE 107 HG12 ILE 107 -7.834 0.361 -7.064 777 2HG1 ILE 107 HG11 ILE 107 -9.115 1.384 -7.703 778 1HG2 ILE 107 HG21 ILE 107 -7.266 -1.194 -8.573 779 2HG2 ILE 107 HG22 ILE 107 -8.018 -0.203 -9.827 780 3HG2 ILE 107 HG23 ILE 107 -8.414 -1.917 -9.705 781 1HD1 ILE 107 HD11 ILE 107 -10.654 0.500 -6.030 782 2HD1 ILE 107 HD12 ILE 107 -9.226 1.214 -5.283 783 3HD1 ILE 107 HD13 ILE 107 -9.377 -0.539 -5.399 784 H GLY 108 HN GLY 108 -11.767 1.830 -8.334 785 1HA GLY 108 HA2 GLY 108 -12.804 1.037 -5.837 786 2HA GLY 108 HA1 GLY 108 -13.263 2.482 -6.730 787 H PHE 109 HN PHE 109 -14.336 1.120 -9.040 788 HA PHE 109 HA PHE 109 -16.869 0.351 -7.819 789 1HB PHE 109 HB2 PHE 109 -17.768 0.560 -10.163 790 2HB PHE 109 HB1 PHE 109 -17.124 2.040 -9.472 791 HD1 PHE 109 HD1 PHE 109 -15.258 3.151 -10.465 792 HD2 PHE 109 HD2 PHE 109 -16.517 -0.647 -11.914 793 HE1 PHE 109 HE1 PHE 109 -13.808 3.429 -12.431 794 HE2 PHE 109 HE2 PHE 109 -15.071 -0.375 -13.886 795 HZ PHE 109 HZ PHE 109 -13.765 1.717 -14.175 796 H SER 110 HN SER 110 -14.921 -1.570 -7.521 797 HA SER 110 HA SER 110 -15.868 -3.684 -9.335 798 1HB SER 110 HB2 SER 110 -13.198 -3.581 -7.914 799 2HB SER 110 HB1 SER 110 -13.724 -4.792 -9.087 800 HG SER 110 HG SER 110 -12.786 -2.224 -9.478 Start of MODEL 5 1 1H GLY 12 HT1 GLY 12 -21.159 -3.648 6.974 2 2H GLY 12 HT2 GLY 12 -21.522 -2.409 8.077 3 3H GLY 12 HT3 GLY 12 -20.149 -3.373 8.312 4 1HA GLY 12 HA1 GLY 12 -19.140 -2.497 6.310 5 2HA GLY 12 HA2 GLY 12 -20.574 -1.520 6.032 6 H ALA 13 HN ALA 13 -17.808 -2.030 8.127 7 HA ALA 13 HA ALA 13 -18.318 0.469 9.546 8 1HB ALA 13 HB1 ALA 13 -16.090 -1.534 9.906 9 2HB ALA 13 HB2 ALA 13 -17.598 -1.505 10.819 10 3HB ALA 13 HB3 ALA 13 -16.452 -0.172 10.968 11 H MET 14 HN MET 14 -16.286 -0.829 7.046 12 HA MET 14 HA MET 14 -14.544 1.508 7.081 13 1HB MET 14 HB2 MET 14 -13.506 -0.678 6.714 14 2HB MET 14 HB1 MET 14 -14.513 -0.930 5.293 15 1HG MET 14 HG2 MET 14 -12.272 -0.245 4.660 16 2HG MET 14 HG1 MET 14 -13.457 0.974 4.194 17 1HE MET 14 HE1 MET 14 -11.760 0.115 7.642 18 2HE MET 14 HE2 MET 14 -10.478 1.326 7.688 19 3HE MET 14 HE3 MET 14 -10.448 0.056 6.465 20 H GLU 15 HN GLU 15 -15.399 3.268 6.220 21 HA GLU 15 HA GLU 15 -17.041 3.049 3.797 22 1HB GLU 15 HB2 GLU 15 -16.597 5.383 5.666 23 2HB GLU 15 HB1 GLU 15 -17.719 5.349 4.313 24 1HG GLU 15 HG2 GLU 15 -19.218 4.030 5.397 25 2HG GLU 15 HG1 GLU 15 -17.985 3.244 6.383 26 H SER 16 HN SER 16 -13.882 3.607 4.670 27 HA SER 16 HA SER 16 -13.395 5.484 2.464 28 1HB SER 16 HB2 SER 16 -11.592 4.767 4.795 29 2HB SER 16 HB1 SER 16 -11.271 5.994 3.568 30 HG SER 16 HG SER 16 -13.632 6.098 5.097 31 H HIS 17 HN HIS 17 -12.839 4.467 0.646 32 HA HIS 17 HA HIS 17 -10.983 2.224 0.852 33 1HB HIS 17 HB2 HIS 17 -12.333 1.004 -0.913 34 2HB HIS 17 HB1 HIS 17 -13.054 1.079 0.687 35 HD1 HIS 17 HD1 HIS 17 -13.637 1.971 -2.838 36 HD2 HIS 17 HD2 HIS 17 -15.303 2.868 0.868 37 HE1 HIS 17 HE1 HIS 17 -15.885 2.991 -3.331 38 HE2 HIS 17 HE2 HIS 17 -16.813 3.659 -1.082 39 HA PRO 18 HA PRO 18 -9.965 4.978 -2.705 40 1HB PRO 18 HB2 PRO 18 -8.046 6.556 -1.600 41 2HB PRO 18 HB1 PRO 18 -9.770 6.915 -1.509 42 1HG PRO 18 HG2 PRO 18 -7.962 6.097 0.618 43 2HG PRO 18 HG1 PRO 18 -9.616 6.710 0.740 44 1HD PRO 18 HD2 PRO 18 -8.653 3.943 0.817 45 2HD PRO 18 HD1 PRO 18 -10.238 4.594 1.284 46 H HIS 19 HN HIS 19 -6.934 5.035 -0.892 47 HA HIS 19 HA HIS 19 -5.620 3.970 -3.215 48 1HB HIS 19 HB2 HIS 19 -4.400 4.596 -0.522 49 2HB HIS 19 HB1 HIS 19 -3.532 4.332 -2.028 50 HD1 HIS 19 HD1 HIS 19 -5.031 6.933 0.037 51 HD2 HIS 19 HD2 HIS 19 -3.930 6.488 -3.955 52 HE1 HIS 19 HE1 HIS 19 -4.922 9.262 -0.904 53 HE2 HIS 19 HE2 HIS 19 -3.993 8.967 -3.222 54 H ILE 20 HN ILE 20 -6.256 2.874 0.086 55 HA ILE 20 HA ILE 20 -4.586 0.657 0.115 56 HB ILE 20 HB ILE 20 -6.241 -0.317 1.782 57 1HG1 ILE 20 HG12 ILE 20 -7.599 2.339 1.274 58 2HG1 ILE 20 HG11 ILE 20 -8.280 0.742 0.977 59 1HG2 ILE 20 HG21 ILE 20 -5.334 2.494 2.355 60 2HG2 ILE 20 HG22 ILE 20 -4.267 1.090 2.349 61 3HG2 ILE 20 HG23 ILE 20 -5.589 1.189 3.512 62 1HD1 ILE 20 HD11 ILE 20 -7.522 1.838 3.675 63 2HD1 ILE 20 HD12 ILE 20 -8.284 0.278 3.353 64 3HD1 ILE 20 HD13 ILE 20 -9.158 1.773 3.015 65 H GLN 21 HN GLN 21 -7.880 0.930 -1.119 66 HA GLN 21 HA GLN 21 -8.146 -1.847 -1.653 67 1HB GLN 21 HB2 GLN 21 -9.743 0.582 -2.184 68 2HB GLN 21 HB1 GLN 21 -9.999 -0.775 -3.276 69 1HG GLN 21 HG2 GLN 21 -11.554 -0.751 -1.359 70 2HG GLN 21 HG1 GLN 21 -10.584 -2.218 -1.457 71 1HE2 GLN 21 HE21 GLN 21 -9.027 -2.621 0.128 72 2HE2 GLN 21 HE22 GLN 21 -8.989 -1.744 1.619 73 H LEU 22 HN LEU 22 -7.394 0.968 -3.731 74 HA LEU 22 HA LEU 22 -7.245 -0.496 -6.095 75 1HB LEU 22 HB2 LEU 22 -6.614 1.449 -7.094 76 2HB LEU 22 HB1 LEU 22 -7.305 2.076 -5.613 77 HG LEU 22 HG LEU 22 -4.743 1.891 -4.829 78 1HD1 LEU 22 HD11 LEU 22 -3.265 2.596 -6.643 79 2HD1 LEU 22 HD12 LEU 22 -4.586 2.402 -7.796 80 3HD1 LEU 22 HD13 LEU 22 -3.945 0.997 -6.944 81 1HD2 LEU 22 HD21 LEU 22 -4.519 4.263 -5.365 82 2HD2 LEU 22 HD22 LEU 22 -6.117 3.889 -4.719 83 3HD2 LEU 22 HD23 LEU 22 -5.905 4.147 -6.450 84 H LEU 23 HN LEU 23 -4.682 0.417 -3.790 85 HA LEU 23 HA LEU 23 -2.515 -0.519 -5.254 86 1HB LEU 23 HB2 LEU 23 -3.040 0.077 -2.406 87 2HB LEU 23 HB1 LEU 23 -1.625 -0.895 -2.755 88 HG LEU 23 HG LEU 23 -0.946 0.957 -4.361 89 1HD1 LEU 23 HD11 LEU 23 -3.069 2.101 -4.530 90 2HD1 LEU 23 HD12 LEU 23 -1.822 3.177 -3.900 91 3HD1 LEU 23 HD13 LEU 23 -3.016 2.477 -2.808 92 1HD2 LEU 23 HD21 LEU 23 0.016 2.309 -2.561 93 2HD2 LEU 23 HD22 LEU 23 0.160 0.582 -2.236 94 3HD2 LEU 23 HD23 LEU 23 -1.072 1.534 -1.411 95 H LYS 24 HN LYS 24 -4.520 -2.253 -2.866 96 HA LYS 24 HA LYS 24 -2.930 -4.596 -3.014 97 1HB LYS 24 HB2 LYS 24 -4.421 -5.622 -1.585 98 2HB LYS 24 HB1 LYS 24 -4.561 -3.925 -1.155 99 1HG LYS 24 HG2 LYS 24 -6.745 -4.046 -1.439 100 2HG LYS 24 HG1 LYS 24 -6.522 -4.477 -3.139 101 1HD LYS 24 HD2 LYS 24 -6.454 -6.447 -0.849 102 2HD LYS 24 HD1 LYS 24 -7.890 -6.105 -1.811 103 1HE LYS 24 HE2 LYS 24 -6.844 -6.940 -3.791 104 2HE LYS 24 HE1 LYS 24 -5.290 -7.072 -2.972 105 1HZ LYS 24 HZ1 LYS 24 -6.027 -8.892 -1.718 106 2HZ LYS 24 HZ2 LYS 24 -6.619 -9.191 -3.282 107 3HZ LYS 24 HZ3 LYS 24 -7.662 -8.605 -2.079 108 H SER 25 HN SER 25 -5.707 -3.482 -4.850 109 HA SER 25 HA SER 25 -6.355 -5.921 -6.082 110 1HB SER 25 HB2 SER 25 -6.609 -3.123 -7.204 111 2HB SER 25 HB1 SER 25 -7.470 -4.554 -7.776 112 HG SER 25 HG SER 25 -7.789 -3.112 -5.379 113 H ASN 26 HN ASN 26 -4.120 -3.344 -7.032 114 HA ASN 26 HA ASN 26 -2.861 -5.210 -8.928 115 1HB ASN 26 HB2 ASN 26 -1.550 -2.993 -9.505 116 2HB ASN 26 HB1 ASN 26 -3.159 -3.277 -10.159 117 1HD2 ASN 26 HD21 ASN 26 -1.420 -1.678 -7.536 118 2HD2 ASN 26 HD22 ASN 26 -2.577 -0.411 -7.308 119 H ARG 27 HN ARG 27 -2.532 -5.717 -6.245 120 HA ARG 27 HA ARG 27 -0.410 -4.482 -4.936 121 1HB ARG 27 HB2 ARG 27 -0.291 -6.523 -3.557 122 2HB ARG 27 HB1 ARG 27 -1.944 -5.971 -3.773 123 1HG ARG 27 HG2 ARG 27 -1.993 -7.681 -5.711 124 2HG ARG 27 HG1 ARG 27 -0.575 -8.365 -4.918 125 1HD ARG 27 HD2 ARG 27 -1.921 -8.511 -2.816 126 2HD ARG 27 HD1 ARG 27 -3.332 -8.014 -3.752 127 HE ARG 27 HE ARG 27 -2.324 -10.608 -3.562 128 1HH1 ARG 27 HH11 ARG 27 -3.630 -8.409 -5.968 129 2HH1 ARG 27 HH12 ARG 27 -3.954 -9.663 -7.128 130 1HH2 ARG 27 HH21 ARG 27 -2.768 -12.257 -5.072 131 2HH2 ARG 27 HH22 ARG 27 -3.486 -11.854 -6.604 132 H GLU 28 HN GLU 28 -0.377 -7.389 -6.930 133 HA GLU 28 HA GLU 28 2.333 -7.993 -6.690 134 1HB GLU 28 HB2 GLU 28 0.506 -8.554 -9.027 135 2HB GLU 28 HB1 GLU 28 2.023 -9.374 -8.683 136 1HG GLU 28 HG2 GLU 28 1.069 -10.202 -6.570 137 2HG GLU 28 HG1 GLU 28 -0.460 -9.428 -6.980 138 H LEU 29 HN LEU 29 0.654 -5.786 -8.833 139 HA LEU 29 HA LEU 29 2.761 -5.278 -10.623 140 1HB LEU 29 HB2 LEU 29 0.426 -4.605 -11.021 141 2HB LEU 29 HB1 LEU 29 0.543 -3.440 -9.716 142 HG LEU 29 HG LEU 29 2.286 -2.226 -11.001 143 1HD1 LEU 29 HD11 LEU 29 3.130 -4.076 -12.332 144 2HD1 LEU 29 HD12 LEU 29 2.596 -2.754 -13.369 145 3HD1 LEU 29 HD13 LEU 29 1.587 -4.188 -13.180 146 1HD2 LEU 29 HD21 LEU 29 -0.055 -1.539 -11.109 147 2HD2 LEU 29 HD22 LEU 29 -0.320 -2.639 -12.463 148 3HD2 LEU 29 HD23 LEU 29 0.765 -1.259 -12.645 149 H LEU 30 HN LEU 30 1.805 -3.672 -7.592 150 HA LEU 30 HA LEU 30 3.997 -1.858 -7.626 151 1HB LEU 30 HB2 LEU 30 2.065 -2.728 -5.512 152 2HB LEU 30 HB1 LEU 30 3.451 -1.737 -5.097 153 HG LEU 30 HG LEU 30 2.665 0.018 -6.656 154 1HD1 LEU 30 HD11 LEU 30 0.265 -1.777 -7.002 155 2HD1 LEU 30 HD12 LEU 30 1.452 -1.367 -8.241 156 3HD1 LEU 30 HD13 LEU 30 0.405 -0.115 -7.574 157 1HD2 LEU 30 HD21 LEU 30 2.057 0.081 -4.295 158 2HD2 LEU 30 HD22 LEU 30 0.620 -0.888 -4.629 159 3HD2 LEU 30 HD23 LEU 30 0.765 0.736 -5.303 160 H VAL 31 HN VAL 31 3.513 -5.080 -6.284 161 HA VAL 31 HA VAL 31 5.838 -5.275 -4.751 162 HB VAL 31 HB VAL 31 4.450 -7.452 -6.331 163 1HG1 VAL 31 HG11 VAL 31 6.716 -8.127 -5.804 164 2HG1 VAL 31 HG12 VAL 31 5.577 -9.006 -4.781 165 3HG1 VAL 31 HG13 VAL 31 6.493 -7.652 -4.120 166 1HG2 VAL 31 HG21 VAL 31 3.034 -6.349 -4.655 167 2HG2 VAL 31 HG22 VAL 31 4.243 -6.692 -3.417 168 3HG2 VAL 31 HG23 VAL 31 3.395 -8.016 -4.213 169 H THR 32 HN THR 32 5.264 -6.107 -8.150 170 HA THR 32 HA THR 32 7.953 -6.825 -8.686 171 HB THR 32 HB THR 32 5.909 -7.612 -9.970 172 HG1 THR 32 HG1 THR 32 8.347 -7.512 -10.636 173 1HG2 THR 32 HG21 THR 32 4.882 -5.442 -10.415 174 2HG2 THR 32 HG22 THR 32 5.249 -6.283 -11.921 175 3HG2 THR 32 HG23 THR 32 6.283 -4.965 -11.373 176 H HIS 33 HN HIS 33 6.246 -3.810 -8.700 177 HA HIS 33 HA HIS 33 7.463 -2.208 -10.503 178 1HB HIS 33 HB2 HIS 33 6.415 -1.702 -7.762 179 2HB HIS 33 HB1 HIS 33 7.407 -0.428 -8.493 180 HD1 HIS 33 HD1 HIS 33 5.973 -1.697 -11.360 181 HD2 HIS 33 HD2 HIS 33 4.394 0.441 -8.166 182 HE1 HIS 33 HE1 HIS 33 3.892 -0.615 -12.241 183 HE2 HIS 33 HE2 HIS 33 3.117 0.881 -10.372 184 H ILE 34 HN ILE 34 8.885 -3.070 -7.363 185 HA ILE 34 HA ILE 34 11.492 -2.904 -8.460 186 HB ILE 34 HB ILE 34 11.197 -0.505 -8.226 187 1HG1 ILE 34 HG12 ILE 34 13.117 -0.003 -6.715 188 2HG1 ILE 34 HG11 ILE 34 13.055 -1.669 -6.146 189 1HG2 ILE 34 HG21 ILE 34 9.497 -0.426 -6.511 190 2HG2 ILE 34 HG22 ILE 34 10.880 0.562 -6.039 191 3HG2 ILE 34 HG23 ILE 34 10.643 -1.029 -5.313 192 1HD1 ILE 34 HD11 ILE 34 13.529 -2.450 -8.415 193 2HD1 ILE 34 HD12 ILE 34 14.794 -1.382 -7.806 194 3HD1 ILE 34 HD13 ILE 34 13.611 -0.777 -8.966 195 H ARG 35 HN ARG 35 9.667 -2.735 -5.417 196 HA ARG 35 HA ARG 35 11.252 -4.930 -4.346 197 1HB ARG 35 HB2 ARG 35 11.236 -2.143 -3.202 198 2HB ARG 35 HB1 ARG 35 11.559 -3.546 -2.196 199 1HG ARG 35 HG2 ARG 35 13.139 -2.911 -4.670 200 2HG ARG 35 HG1 ARG 35 13.576 -2.338 -3.057 201 1HD ARG 35 HD2 ARG 35 13.215 -5.231 -3.830 202 2HD ARG 35 HD1 ARG 35 14.769 -4.405 -3.713 203 HE ARG 35 HE ARG 35 12.949 -4.809 -1.416 204 1HH1 ARG 35 HH11 ARG 35 16.141 -4.759 -2.843 205 2HH1 ARG 35 HH12 ARG 35 16.970 -4.976 -1.331 206 1HH2 ARG 35 HH21 ARG 35 14.038 -5.141 0.579 207 2HH2 ARG 35 HH22 ARG 35 15.775 -5.196 0.611 208 H ASN 36 HN ASN 36 8.788 -2.476 -3.693 209 HA ASN 36 HA ASN 36 6.947 -2.442 -2.380 210 1HB ASN 36 HB2 ASN 36 6.349 -4.362 -3.936 211 2HB ASN 36 HB1 ASN 36 6.882 -5.449 -2.659 212 1HD2 ASN 36 HD21 ASN 36 5.559 -5.812 -0.923 213 2HD2 ASN 36 HD22 ASN 36 3.967 -5.158 -0.784 214 H THR 37 HN THR 37 9.544 -2.632 -1.233 215 HA THR 37 HA THR 37 9.051 -4.103 1.266 216 HB THR 37 HB THR 37 11.700 -2.931 0.412 217 HG1 THR 37 HG1 THR 37 10.652 -5.528 -0.175 218 1HG2 THR 37 HG21 THR 37 10.968 -5.207 2.259 219 2HG2 THR 37 HG22 THR 37 11.483 -3.595 2.756 220 3HG2 THR 37 HG23 THR 37 12.604 -4.655 1.903 221 H GLN 38 HN GLN 38 10.023 -1.021 -0.107 222 HA GLN 38 HA GLN 38 10.545 0.356 2.274 223 1HB GLN 38 HB2 GLN 38 9.622 1.473 -0.376 224 2HB GLN 38 HB1 GLN 38 10.399 2.384 0.915 225 1HG GLN 38 HG2 GLN 38 11.595 0.211 -0.779 226 2HG GLN 38 HG1 GLN 38 12.025 1.921 -0.754 227 1HE2 GLN 38 HE21 GLN 38 13.246 2.722 0.967 228 2HE2 GLN 38 HE22 GLN 38 14.137 1.675 2.022 229 H CYS 39 HN CYS 39 7.574 -0.375 0.653 230 HA CYS 39 HA CYS 39 5.967 1.664 1.742 231 1HB CYS 39 HB2 CYS 39 4.140 -0.132 1.229 232 2HB CYS 39 HB1 CYS 39 5.031 0.608 -0.096 233 HG CYS 39 HG CYS 39 4.620 -2.166 -0.541 234 H LEU 40 HN LEU 40 6.538 -1.685 2.776 235 HA LEU 40 HA LEU 40 4.723 -1.505 4.952 236 1HB LEU 40 HB2 LEU 40 5.818 -3.715 5.625 237 2HB LEU 40 HB1 LEU 40 4.895 -3.629 4.131 238 HG LEU 40 HG LEU 40 7.302 -3.162 3.095 239 1HD1 LEU 40 HD11 LEU 40 9.004 -4.521 4.221 240 2HD1 LEU 40 HD12 LEU 40 7.894 -4.801 5.562 241 3HD1 LEU 40 HD13 LEU 40 8.478 -3.171 5.227 242 1HD2 LEU 40 HD21 LEU 40 5.800 -4.974 2.466 243 2HD2 LEU 40 HD22 LEU 40 6.294 -5.895 3.887 244 3HD2 LEU 40 HD23 LEU 40 7.461 -5.549 2.610 245 H VAL 41 HN VAL 41 8.219 -1.117 4.713 246 HA VAL 41 HA VAL 41 8.732 -1.251 7.480 247 HB VAL 41 HB VAL 41 10.757 0.261 6.840 248 1HG1 VAL 41 HG11 VAL 41 10.363 -2.522 5.736 249 2HG1 VAL 41 HG12 VAL 41 10.943 -2.104 7.348 250 3HG1 VAL 41 HG13 VAL 41 11.924 -1.726 5.932 251 1HG2 VAL 41 HG21 VAL 41 9.576 0.858 4.633 252 2HG2 VAL 41 HG22 VAL 41 10.082 -0.750 4.099 253 3HG2 VAL 41 HG23 VAL 41 11.293 0.442 4.571 254 H ASP 42 HN ASP 42 8.129 1.628 5.403 255 HA ASP 42 HA ASP 42 8.282 3.433 7.586 256 1HB ASP 42 HB2 ASP 42 8.328 3.960 5.048 257 2HB ASP 42 HB1 ASP 42 6.570 3.988 5.183 258 H ASN 43 HN ASN 43 5.730 1.454 6.289 259 HA ASN 43 HA ASN 43 3.570 2.461 7.786 260 1HB ASN 43 HB2 ASN 43 2.721 0.996 6.279 261 2HB ASN 43 HB1 ASN 43 4.198 0.033 6.227 262 1HD2 ASN 43 HD21 ASN 43 4.473 -1.624 7.653 263 2HD2 ASN 43 HD22 ASN 43 3.161 -2.311 8.535 264 H LEU 44 HN LEU 44 6.186 0.300 8.556 265 HA LEU 44 HA LEU 44 5.139 -0.514 11.109 266 1HB LEU 44 HB2 LEU 44 6.553 -2.096 10.145 267 2HB LEU 44 HB1 LEU 44 7.696 -0.901 9.597 268 HG LEU 44 HG LEU 44 8.470 -2.502 11.393 269 1HD1 LEU 44 HD11 LEU 44 9.722 -0.515 10.917 270 2HD1 LEU 44 HD12 LEU 44 9.718 -0.817 12.648 271 3HD1 LEU 44 HD13 LEU 44 8.686 0.442 11.969 272 1HD2 LEU 44 HD21 LEU 44 6.506 -2.519 12.791 273 2HD2 LEU 44 HD22 LEU 44 6.704 -0.799 13.125 274 3HD2 LEU 44 HD23 LEU 44 7.906 -1.953 13.701 275 H LEU 45 HN LEU 45 7.480 1.759 9.859 276 HA LEU 45 HA LEU 45 8.374 2.878 12.237 277 1HB LEU 45 HB2 LEU 45 9.613 3.490 10.416 278 2HB LEU 45 HB1 LEU 45 8.223 3.624 9.374 279 HG LEU 45 HG LEU 45 9.571 5.714 9.766 280 1HD1 LEU 45 HD11 LEU 45 6.654 5.391 9.842 281 2HD1 LEU 45 HD12 LEU 45 7.687 6.373 8.784 282 3HD1 LEU 45 HD13 LEU 45 7.255 6.969 10.386 283 1HD2 LEU 45 HD21 LEU 45 9.949 5.501 12.152 284 2HD2 LEU 45 HD22 LEU 45 8.217 5.643 12.453 285 3HD2 LEU 45 HD23 LEU 45 9.110 7.009 11.782 286 H LYS 46 HN LYS 46 5.572 3.764 10.229 287 HA LYS 46 HA LYS 46 4.871 5.949 11.933 288 1HB LYS 46 HB2 LYS 46 4.353 5.428 9.366 289 2HB LYS 46 HB1 LYS 46 2.859 4.819 10.069 290 1HG LYS 46 HG2 LYS 46 2.423 7.052 9.519 291 2HG LYS 46 HG1 LYS 46 2.683 7.045 11.265 292 1HD LYS 46 HD2 LYS 46 3.862 8.921 10.366 293 2HD LYS 46 HD1 LYS 46 5.060 7.709 10.827 294 1HE LYS 46 HE2 LYS 46 5.128 6.947 8.471 295 2HE LYS 46 HE1 LYS 46 4.015 8.245 8.049 296 1HZ LYS 46 HZ1 LYS 46 6.763 8.557 9.123 297 2HZ LYS 46 HZ2 LYS 46 5.695 9.840 8.850 298 3HZ LYS 46 HZ3 LYS 46 6.249 8.899 7.549 299 H ASN 47 HN ASN 47 3.751 2.601 11.622 300 HA ASN 47 HA ASN 47 1.524 3.185 13.434 301 1HB ASN 47 HB2 ASN 47 2.106 0.726 11.779 302 2HB ASN 47 HB1 ASN 47 0.680 0.948 12.789 303 1HD2 ASN 47 HD21 ASN 47 0.900 0.542 9.897 304 2HD2 ASN 47 HD22 ASN 47 0.115 1.897 9.177 305 H ASP 48 HN ASP 48 4.619 1.904 13.549 306 HA ASP 48 HA ASP 48 5.863 0.905 15.144 307 1HB ASP 48 HB2 ASP 48 4.815 2.581 16.622 308 2HB ASP 48 HB1 ASP 48 3.487 1.472 16.935 309 H TYR 49 HN TYR 49 3.858 -0.541 13.507 310 HA TYR 49 HA TYR 49 4.886 -3.005 14.070 311 1HB TYR 49 HB2 TYR 49 2.987 -4.335 14.764 312 2HB TYR 49 HB1 TYR 49 3.282 -3.092 15.962 313 HD1 TYR 49 HD1 TYR 49 1.788 -0.889 15.597 314 HD2 TYR 49 HD2 TYR 49 0.836 -4.780 14.173 315 HE1 TYR 49 HE1 TYR 49 -0.595 -0.287 15.562 316 HE2 TYR 49 HE2 TYR 49 -1.547 -4.188 14.125 317 HH TYR 49 HH TYR 49 -3.064 -2.623 15.188 318 H PHE 50 HN PHE 50 2.624 -4.443 12.854 319 HA PHE 50 HA PHE 50 1.986 -5.030 10.710 320 1HB PHE 50 HB2 PHE 50 2.263 -2.032 10.283 321 2HB PHE 50 HB1 PHE 50 1.725 -3.153 9.035 322 HD1 PHE 50 HD1 PHE 50 0.575 -0.791 11.142 323 HD2 PHE 50 HD2 PHE 50 -0.148 -4.874 10.165 324 HE1 PHE 50 HE1 PHE 50 -1.729 -0.598 12.000 325 HE2 PHE 50 HE2 PHE 50 -2.446 -4.683 11.016 326 HZ PHE 50 HZ PHE 50 -3.277 -2.499 11.816 327 H SER 51 HN SER 51 4.861 -4.422 11.686 328 HA SER 51 HA SER 51 6.431 -4.037 9.394 329 1HB SER 51 HB2 SER 51 8.238 -5.025 10.837 330 2HB SER 51 HB1 SER 51 7.378 -3.672 11.575 331 HG SER 51 HG SER 51 7.749 -5.784 12.803 332 H ALA 52 HN ALA 52 8.127 -5.822 8.931 333 HA ALA 52 HA ALA 52 7.079 -7.901 7.514 334 1HB ALA 52 HB1 ALA 52 9.729 -7.899 8.941 335 2HB ALA 52 HB2 ALA 52 9.402 -7.174 7.367 336 3HB ALA 52 HB3 ALA 52 9.284 -8.923 7.577 337 H GLU 53 HN GLU 53 7.706 -7.886 11.021 338 HA GLU 53 HA GLU 53 7.360 -10.685 11.362 339 1HB GLU 53 HB2 GLU 53 8.322 -9.317 13.144 340 2HB GLU 53 HB1 GLU 53 6.806 -8.437 13.311 341 1HG GLU 53 HG2 GLU 53 5.696 -10.565 13.927 342 2HG GLU 53 HG1 GLU 53 7.273 -11.352 13.892 343 H ASP 54 HN ASP 54 5.062 -7.972 11.696 344 HA ASP 54 HA ASP 54 2.781 -9.557 12.186 345 1HB ASP 54 HB2 ASP 54 2.602 -7.227 12.651 346 2HB ASP 54 HB1 ASP 54 3.118 -6.787 11.026 347 H ALA 55 HN ALA 55 4.089 -8.153 9.258 348 HA ALA 55 HA ALA 55 2.190 -9.067 7.467 349 1HB ALA 55 HB1 ALA 55 3.865 -7.335 6.969 350 2HB ALA 55 HB2 ALA 55 3.822 -8.593 5.733 351 3HB ALA 55 HB3 ALA 55 5.120 -8.574 6.927 352 H GLU 56 HN GLU 56 5.298 -10.602 8.388 353 HA GLU 56 HA GLU 56 4.988 -12.686 6.477 354 1HB GLU 56 HB2 GLU 56 7.010 -11.824 8.354 355 2HB GLU 56 HB1 GLU 56 6.857 -13.577 8.331 356 1HG GLU 56 HG2 GLU 56 8.538 -12.627 6.747 357 2HG GLU 56 HG1 GLU 56 7.329 -13.681 6.017 358 H ILE 57 HN ILE 57 4.203 -12.463 9.918 359 HA ILE 57 HA ILE 57 3.771 -15.260 10.223 360 HB ILE 57 HB ILE 57 2.540 -12.996 11.805 361 1HG1 ILE 57 HG12 ILE 57 4.918 -12.866 12.033 362 2HG1 ILE 57 HG11 ILE 57 4.308 -13.643 13.491 363 1HG2 ILE 57 HG21 ILE 57 1.287 -15.073 12.042 364 2HG2 ILE 57 HG22 ILE 57 2.140 -14.674 13.535 365 3HG2 ILE 57 HG23 ILE 57 2.772 -15.927 12.466 366 1HD1 ILE 57 HD11 ILE 57 5.728 -14.909 11.170 367 2HD1 ILE 57 HD12 ILE 57 4.898 -15.841 12.418 368 3HD1 ILE 57 HD13 ILE 57 6.257 -14.802 12.850 369 H VAL 58 HN VAL 58 1.551 -12.555 9.586 370 HA VAL 58 HA VAL 58 -0.719 -14.250 9.299 371 HB VAL 58 HB VAL 58 -0.394 -11.423 8.287 372 1HG1 VAL 58 HG11 VAL 58 -2.828 -11.336 8.385 373 2HG1 VAL 58 HG12 VAL 58 -2.879 -13.015 8.919 374 3HG1 VAL 58 HG13 VAL 58 -2.296 -12.623 7.301 375 1HG2 VAL 58 HG21 VAL 58 -1.484 -10.753 10.379 376 2HG2 VAL 58 HG22 VAL 58 0.063 -11.548 10.674 377 3HG2 VAL 58 HG23 VAL 58 -1.444 -12.429 10.929 378 H CYS 59 HN CYS 59 1.673 -12.972 7.058 379 HA CYS 59 HA CYS 59 0.354 -13.212 4.625 380 1HB CYS 59 HB2 CYS 59 2.426 -13.021 3.580 381 2HB CYS 59 HB1 CYS 59 2.690 -12.245 5.137 382 HG CYS 59 HG CYS 59 4.073 -14.371 6.257 383 H ALA 60 HN ALA 60 1.594 -15.717 6.658 384 HA ALA 60 HA ALA 60 1.991 -17.853 5.010 385 1HB ALA 60 HB1 ALA 60 0.668 -17.675 7.698 386 2HB ALA 60 HB2 ALA 60 2.313 -18.176 7.305 387 3HB ALA 60 HB3 ALA 60 0.951 -19.218 6.892 388 H CYS 61 HN CYS 61 -1.039 -16.200 5.577 389 HA CYS 61 HA CYS 61 -2.397 -18.222 3.948 390 1HB CYS 61 HB2 CYS 61 -3.676 -15.915 5.424 391 2HB CYS 61 HB1 CYS 61 -4.496 -17.280 4.673 392 HG CYS 61 HG CYS 61 -4.638 -17.616 7.438 393 HA PRO 62 HA PRO 62 -3.321 -14.473 1.225 394 1HB PRO 62 HB2 PRO 62 -2.873 -11.938 2.465 395 2HB PRO 62 HB1 PRO 62 -4.414 -12.710 2.109 396 1HG PRO 62 HG2 PRO 62 -3.465 -12.236 4.644 397 2HG PRO 62 HG1 PRO 62 -4.638 -13.505 4.243 398 1HD PRO 62 HD2 PRO 62 -1.664 -13.724 4.621 399 2HD PRO 62 HD1 PRO 62 -2.959 -14.791 5.219 400 H THR 63 HN THR 63 -0.467 -15.170 2.100 401 HA THR 63 HA THR 63 1.684 -14.637 1.765 402 HB THR 63 HB THR 63 1.164 -15.328 -0.467 403 HG1 THR 63 HG1 THR 63 3.174 -14.748 -0.716 404 1HG2 THR 63 HG21 THR 63 -0.636 -14.001 -1.189 405 2HG2 THR 63 HG22 THR 63 0.708 -13.582 -2.254 406 3HG2 THR 63 HG23 THR 63 0.250 -12.502 -0.934 407 H GLN 64 HN GLN 64 3.131 -12.673 0.604 408 HA GLN 64 HA GLN 64 3.050 -10.760 2.684 409 1HB GLN 64 HB2 GLN 64 5.148 -11.492 1.672 410 2HB GLN 64 HB1 GLN 64 4.681 -10.753 0.146 411 1HG GLN 64 HG2 GLN 64 4.675 -8.554 1.222 412 2HG GLN 64 HG1 GLN 64 5.170 -9.306 2.738 413 1HE2 GLN 64 HE21 GLN 64 7.068 -8.135 2.837 414 2HE2 GLN 64 HE22 GLN 64 8.411 -8.433 1.789 415 HA PRO 65 HA PRO 65 1.908 -7.600 -0.863 416 1HB PRO 65 HB2 PRO 65 0.263 -9.352 -2.583 417 2HB PRO 65 HB1 PRO 65 1.375 -8.042 -3.013 418 1HG PRO 65 HG2 PRO 65 2.034 -10.613 -3.372 419 2HG PRO 65 HG1 PRO 65 3.231 -9.398 -2.891 420 1HD PRO 65 HD2 PRO 65 1.906 -11.498 -1.256 421 2HD PRO 65 HD1 PRO 65 3.552 -10.857 -1.148 422 H ASP 66 HN ASP 66 -0.520 -10.213 -0.076 423 HA ASP 66 HA ASP 66 -2.560 -8.201 0.067 424 1HB ASP 66 HB2 ASP 66 -2.499 -11.097 0.818 425 2HB ASP 66 HB1 ASP 66 -3.824 -10.070 1.361 426 H LYS 67 HN LYS 67 -0.279 -9.611 2.299 427 HA LYS 67 HA LYS 67 -1.332 -8.647 4.693 428 1HB LYS 67 HB2 LYS 67 1.309 -9.524 3.792 429 2HB LYS 67 HB1 LYS 67 1.357 -8.322 5.091 430 1HG LYS 67 HG2 LYS 67 0.093 -11.042 5.108 431 2HG LYS 67 HG1 LYS 67 1.362 -10.394 6.155 432 1HD LYS 67 HD2 LYS 67 -1.312 -9.085 6.139 433 2HD LYS 67 HD1 LYS 67 -1.100 -10.599 7.016 434 1HE LYS 67 HE2 LYS 67 -0.767 -8.767 8.529 435 2HE LYS 67 HE1 LYS 67 0.781 -9.558 8.266 436 1HZ LYS 67 HZ1 LYS 67 0.917 -7.132 8.262 437 2HZ LYS 67 HZ2 LYS 67 -0.092 -7.079 6.894 438 3HZ LYS 67 HZ3 LYS 67 1.430 -7.809 6.793 439 H VAL 68 HN VAL 68 0.647 -6.939 2.271 440 HA VAL 68 HA VAL 68 0.857 -4.609 3.883 441 HB VAL 68 HB VAL 68 1.581 -3.367 1.926 442 1HG1 VAL 68 HG11 VAL 68 2.778 -6.108 2.208 443 2HG1 VAL 68 HG12 VAL 68 3.249 -4.637 3.056 444 3HG1 VAL 68 HG13 VAL 68 3.542 -4.789 1.323 445 1HG2 VAL 68 HG21 VAL 68 0.144 -4.254 0.202 446 2HG2 VAL 68 HG22 VAL 68 0.904 -5.840 0.343 447 3HG2 VAL 68 HG23 VAL 68 1.833 -4.469 -0.269 448 H ARG 69 HN ARG 69 -1.475 -5.641 1.436 449 HA ARG 69 HA ARG 69 -3.140 -3.431 1.458 450 1HB ARG 69 HB2 ARG 69 -3.896 -5.097 0.040 451 2HB ARG 69 HB1 ARG 69 -3.601 -6.374 1.209 452 1HG ARG 69 HG2 ARG 69 -5.977 -6.070 0.780 453 2HG ARG 69 HG1 ARG 69 -5.577 -5.715 2.462 454 1HD ARG 69 HD2 ARG 69 -5.423 -3.260 1.617 455 2HD ARG 69 HD1 ARG 69 -6.364 -3.859 0.251 456 HE ARG 69 HE ARG 69 -7.328 -3.282 2.848 457 1HH1 ARG 69 HH11 ARG 69 -7.746 -5.645 0.289 458 2HH1 ARG 69 HH12 ARG 69 -9.393 -5.995 0.719 459 1HH2 ARG 69 HH21 ARG 69 -9.458 -3.718 3.385 460 2HH2 ARG 69 HH22 ARG 69 -10.383 -4.872 2.454 461 H LYS 70 HN LYS 70 -2.966 -6.106 3.760 462 HA LYS 70 HA LYS 70 -5.056 -5.248 5.433 463 1HB LYS 70 HB2 LYS 70 -4.512 -7.485 5.658 464 2HB LYS 70 HB1 LYS 70 -2.786 -7.175 5.685 465 1HG LYS 70 HG2 LYS 70 -4.427 -6.196 7.963 466 2HG LYS 70 HG1 LYS 70 -4.096 -7.921 7.836 467 1HD LYS 70 HD2 LYS 70 -1.649 -7.261 7.548 468 2HD LYS 70 HD1 LYS 70 -2.129 -5.653 8.087 469 1HE LYS 70 HE2 LYS 70 -2.379 -8.243 9.617 470 2HE LYS 70 HE1 LYS 70 -1.247 -6.931 9.946 471 1HZ LYS 70 HZ1 LYS 70 -4.201 -6.938 10.296 472 2HZ LYS 70 HZ2 LYS 70 -3.285 -5.512 10.305 473 3HZ LYS 70 HZ3 LYS 70 -3.001 -6.699 11.478 474 H ILE 71 HN ILE 71 -1.569 -4.569 5.524 475 HA ILE 71 HA ILE 71 -1.698 -3.397 8.108 476 HB ILE 71 HB ILE 71 0.536 -2.494 7.683 477 1HG1 ILE 71 HG12 ILE 71 0.198 -3.700 4.933 478 2HG1 ILE 71 HG11 ILE 71 0.454 -2.001 5.313 479 1HG2 ILE 71 HG21 ILE 71 1.671 -4.666 7.457 480 2HG2 ILE 71 HG22 ILE 71 0.150 -5.379 6.918 481 3HG2 ILE 71 HG23 ILE 71 0.290 -4.727 8.551 482 1HD1 ILE 71 HD11 ILE 71 2.449 -4.250 5.690 483 2HD1 ILE 71 HD12 ILE 71 2.691 -2.570 6.186 484 3HD1 ILE 71 HD13 ILE 71 2.494 -2.960 4.480 485 H LEU 72 HN LEU 72 -1.698 -1.998 4.840 486 HA LEU 72 HA LEU 72 -2.122 0.672 5.685 487 1HB LEU 72 HB2 LEU 72 -2.842 -0.711 3.121 488 2HB LEU 72 HB1 LEU 72 -3.135 0.990 3.443 489 HG LEU 72 HG LEU 72 -0.797 1.470 3.528 490 1HD1 LEU 72 HD11 LEU 72 -0.314 -1.470 3.093 491 2HD1 LEU 72 HD12 LEU 72 0.048 -0.565 4.564 492 3HD1 LEU 72 HD13 LEU 72 0.913 -0.203 3.070 493 1HD2 LEU 72 HD21 LEU 72 -1.933 1.402 1.397 494 2HD2 LEU 72 HD22 LEU 72 -1.478 -0.289 1.181 495 3HD2 LEU 72 HD23 LEU 72 -0.234 0.969 1.224 496 H ASP 73 HN ASP 73 -4.233 -2.070 5.206 497 HA ASP 73 HA ASP 73 -6.703 -0.774 4.979 498 1HB ASP 73 HB2 ASP 73 -6.222 -3.240 4.591 499 2HB ASP 73 HB1 ASP 73 -6.248 -3.434 6.329 500 H LEU 74 HN LEU 74 -4.978 -1.954 7.854 501 HA LEU 74 HA LEU 74 -7.093 -1.124 9.606 502 1HB LEU 74 HB2 LEU 74 -4.374 -2.278 9.994 503 2HB LEU 74 HB1 LEU 74 -5.162 -1.494 11.357 504 HG LEU 74 HG LEU 74 -7.108 -3.051 11.021 505 1HD1 LEU 74 HD11 LEU 74 -5.200 -4.456 9.160 506 2HD1 LEU 74 HD12 LEU 74 -6.701 -3.651 8.699 507 3HD1 LEU 74 HD13 LEU 74 -6.748 -5.084 9.728 508 1HD2 LEU 74 HD21 LEU 74 -5.993 -4.975 12.056 509 2HD2 LEU 74 HD22 LEU 74 -5.464 -3.448 12.762 510 3HD2 LEU 74 HD23 LEU 74 -4.425 -4.297 11.616 511 H VAL 75 HN VAL 75 -4.119 0.312 8.443 512 HA VAL 75 HA VAL 75 -4.014 2.358 10.418 513 HB VAL 75 HB VAL 75 -2.065 1.645 8.944 514 1HG1 VAL 75 HG11 VAL 75 -3.425 3.460 6.978 515 2HG1 VAL 75 HG12 VAL 75 -3.153 1.727 6.792 516 3HG1 VAL 75 HG13 VAL 75 -1.781 2.835 6.839 517 1HG2 VAL 75 HG21 VAL 75 -1.174 3.977 8.866 518 2HG2 VAL 75 HG22 VAL 75 -1.872 3.509 10.417 519 3HG2 VAL 75 HG23 VAL 75 -2.784 4.540 9.314 520 H GLN 76 HN GLN 76 -5.498 2.113 7.245 521 HA GLN 76 HA GLN 76 -6.980 3.386 6.118 522 1HB GLN 76 HB2 GLN 76 -7.207 4.771 8.776 523 2HB GLN 76 HB1 GLN 76 -8.096 5.324 7.362 524 1HG GLN 76 HG2 GLN 76 -9.338 3.342 7.231 525 2HG GLN 76 HG1 GLN 76 -8.255 2.494 8.332 526 1HE2 GLN 76 HE21 GLN 76 -11.163 2.954 8.398 527 2HE2 GLN 76 HE22 GLN 76 -11.481 3.672 9.940 528 H SER 77 HN SER 77 -4.895 5.559 8.079 529 HA SER 77 HA SER 77 -4.667 7.238 5.679 530 1HB SER 77 HB2 SER 77 -4.076 7.964 8.553 531 2HB SER 77 HB1 SER 77 -4.075 9.065 7.175 532 HG SER 77 HG SER 77 -6.394 7.667 7.335 533 H LYS 78 HN LYS 78 -2.504 6.587 8.481 534 HA LYS 78 HA LYS 78 -0.239 7.611 7.273 535 1HB LYS 78 HB2 LYS 78 -0.358 5.447 9.370 536 2HB LYS 78 HB1 LYS 78 1.094 6.361 8.954 537 1HG LYS 78 HG2 LYS 78 -1.454 7.557 10.051 538 2HG LYS 78 HG1 LYS 78 -0.036 7.148 11.010 539 1HD LYS 78 HD2 LYS 78 0.199 9.433 10.623 540 2HD LYS 78 HD1 LYS 78 1.245 8.700 9.408 541 1HE LYS 78 HE2 LYS 78 -0.494 8.981 7.726 542 2HE LYS 78 HE1 LYS 78 -1.574 9.669 8.937 543 1HZ LYS 78 HZ1 LYS 78 -0.511 11.383 7.599 544 2HZ LYS 78 HZ2 LYS 78 1.021 10.836 8.078 545 3HZ LYS 78 HZ3 LYS 78 -0.035 11.506 9.221 546 H GLY 79 HN GLY 79 -1.032 4.111 7.477 547 1HA GLY 79 HA2 GLY 79 1.372 3.332 6.200 548 2HA GLY 79 HA1 GLY 79 -0.041 2.317 6.463 549 H GLU 80 HN GLU 80 -1.959 3.722 5.096 550 HA GLU 80 HA GLU 80 -1.703 2.900 2.472 551 1HB GLU 80 HB2 GLU 80 -3.841 3.567 3.472 552 2HB GLU 80 HB1 GLU 80 -3.308 5.244 3.513 553 1HG GLU 80 HG2 GLU 80 -3.106 5.173 1.040 554 2HG GLU 80 HG1 GLU 80 -3.815 3.563 1.076 555 H GLU 81 HN GLU 81 -1.078 6.109 3.827 556 HA GLU 81 HA GLU 81 -0.383 7.295 1.329 557 1HB GLU 81 HB2 GLU 81 -1.365 8.569 3.163 558 2HB GLU 81 HB1 GLU 81 0.022 8.215 4.179 559 1HG GLU 81 HG2 GLU 81 1.437 9.454 2.533 560 2HG GLU 81 HG1 GLU 81 -0.055 9.942 1.724 561 H VAL 82 HN VAL 82 1.490 6.139 4.127 562 HA VAL 82 HA VAL 82 3.967 7.092 3.093 563 HB VAL 82 HB VAL 82 5.053 5.914 4.893 564 1HG1 VAL 82 HG11 VAL 82 2.459 7.178 5.758 565 2HG1 VAL 82 HG12 VAL 82 3.976 8.012 5.421 566 3HG1 VAL 82 HG13 VAL 82 3.863 6.912 6.795 567 1HG2 VAL 82 HG21 VAL 82 3.805 4.492 6.464 568 2HG2 VAL 82 HG22 VAL 82 3.842 3.807 4.838 569 3HG2 VAL 82 HG23 VAL 82 2.383 4.607 5.424 570 H SER 83 HN SER 83 2.275 4.019 2.903 571 HA SER 83 HA SER 83 4.446 2.489 1.962 572 1HB SER 83 HB2 SER 83 1.454 2.196 1.747 573 2HB SER 83 HB1 SER 83 2.546 1.032 1.002 574 HG SER 83 HG SER 83 3.356 1.496 3.507 575 H GLU 84 HN GLU 84 1.856 4.232 0.185 576 HA GLU 84 HA GLU 84 2.915 3.553 -2.354 577 1HB GLU 84 HB2 GLU 84 1.505 5.437 -3.218 578 2HB GLU 84 HB1 GLU 84 0.629 4.247 -2.271 579 1HG GLU 84 HG2 GLU 84 0.686 5.751 -0.339 580 2HG GLU 84 HG1 GLU 84 1.544 6.948 -1.307 581 H PHE 85 HN PHE 85 3.337 6.372 -0.253 582 HA PHE 85 HA PHE 85 4.791 7.921 -2.086 583 1HB PHE 85 HB2 PHE 85 3.745 8.837 -0.059 584 2HB PHE 85 HB1 PHE 85 4.909 7.974 0.941 585 HD1 PHE 85 HD1 PHE 85 6.877 9.009 1.569 586 HD2 PHE 85 HD2 PHE 85 4.713 10.519 -1.772 587 HE1 PHE 85 HE1 PHE 85 8.409 10.931 1.449 588 HE2 PHE 85 HE2 PHE 85 6.243 12.441 -1.899 589 HZ PHE 85 HZ PHE 85 8.094 12.651 -0.287 590 H PHE 86 HN PHE 86 6.000 5.682 0.460 591 HA PHE 86 HA PHE 86 8.725 6.416 0.055 592 1HB PHE 86 HB2 PHE 86 7.509 5.088 2.038 593 2HB PHE 86 HB1 PHE 86 8.091 3.708 1.090 594 HD1 PHE 86 HD1 PHE 86 10.648 4.824 0.081 595 HD2 PHE 86 HD2 PHE 86 8.877 4.983 3.946 596 HE1 PHE 86 HE1 PHE 86 12.880 5.032 1.091 597 HE2 PHE 86 HE2 PHE 86 11.105 5.199 4.962 598 HZ PHE 86 HZ PHE 86 13.100 5.227 3.562 599 H LEU 87 HN LEU 87 6.830 3.588 -1.004 600 HA LEU 87 HA LEU 87 9.044 2.375 -2.280 601 1HB LEU 87 HB2 LEU 87 7.678 0.635 -2.658 602 2HB LEU 87 HB1 LEU 87 6.606 1.463 -1.549 603 HG LEU 87 HG LEU 87 5.727 2.542 -3.834 604 1HD1 LEU 87 HD11 LEU 87 6.779 -0.169 -4.646 605 2HD1 LEU 87 HD12 LEU 87 7.336 1.391 -5.253 606 3HD1 LEU 87 HD13 LEU 87 5.697 0.842 -5.604 607 1HD2 LEU 87 HD21 LEU 87 4.980 -0.186 -2.790 608 2HD2 LEU 87 HD22 LEU 87 3.984 0.814 -3.847 609 3HD2 LEU 87 HD23 LEU 87 4.359 1.360 -2.214 610 H TYR 88 HN TYR 88 6.519 4.570 -3.370 611 HA TYR 88 HA TYR 88 7.304 4.473 -6.116 612 1HB TYR 88 HB2 TYR 88 5.515 6.347 -4.578 613 2HB TYR 88 HB1 TYR 88 5.881 6.585 -6.283 614 HD1 TYR 88 HD1 TYR 88 5.985 3.263 -6.303 615 HD2 TYR 88 HD2 TYR 88 3.129 6.312 -5.514 616 HE1 TYR 88 HE1 TYR 88 4.174 1.719 -6.924 617 HE2 TYR 88 HE2 TYR 88 1.314 4.782 -6.135 618 HH TYR 88 HH TYR 88 0.957 2.803 -7.425 619 H LEU 89 HN LEU 89 8.184 6.661 -3.419 620 HA LEU 89 HA LEU 89 9.413 8.568 -5.065 621 1HB LEU 89 HB2 LEU 89 10.653 9.343 -3.157 622 2HB LEU 89 HB1 LEU 89 9.015 8.977 -2.677 623 HG LEU 89 HG LEU 89 10.050 6.718 -1.856 624 1HD1 LEU 89 HD11 LEU 89 12.466 8.526 -1.868 625 2HD1 LEU 89 HD12 LEU 89 12.275 7.043 -2.802 626 3HD1 LEU 89 HD13 LEU 89 12.349 6.973 -1.041 627 1HD2 LEU 89 HD21 LEU 89 10.465 7.745 0.324 628 2HD2 LEU 89 HD22 LEU 89 9.015 8.402 -0.434 629 3HD2 LEU 89 HD23 LEU 89 10.510 9.336 -0.437 630 H LEU 90 HN LEU 90 10.630 5.559 -3.734 631 HA LEU 90 HA LEU 90 13.125 5.676 -5.072 632 1HB LEU 90 HB2 LEU 90 11.527 3.516 -3.757 633 2HB LEU 90 HB1 LEU 90 12.936 3.091 -4.722 634 HG LEU 90 HG LEU 90 12.851 4.786 -2.230 635 1HD1 LEU 90 HD11 LEU 90 14.266 2.207 -2.885 636 2HD1 LEU 90 HD12 LEU 90 12.832 2.380 -1.871 637 3HD1 LEU 90 HD13 LEU 90 14.365 3.084 -1.357 638 1HD2 LEU 90 HD21 LEU 90 15.246 5.117 -2.492 639 2HD2 LEU 90 HD22 LEU 90 14.372 5.808 -3.858 640 3HD2 LEU 90 HD23 LEU 90 15.210 4.267 -4.037 641 H GLN 91 HN GLN 91 9.936 4.479 -5.999 642 HA GLN 91 HA GLN 91 10.921 2.927 -8.194 643 1HB GLN 91 HB2 GLN 91 8.740 2.765 -6.644 644 2HB GLN 91 HB1 GLN 91 8.046 3.593 -8.024 645 1HG GLN 91 HG2 GLN 91 9.657 1.128 -8.451 646 2HG GLN 91 HG1 GLN 91 7.995 1.006 -7.875 647 1HE2 GLN 91 HE21 GLN 91 10.058 1.751 -10.529 648 2HE2 GLN 91 HE22 GLN 91 8.803 1.940 -11.715 649 H GLN 92 HN GLN 92 8.978 5.896 -7.980 650 HA GLN 92 HA GLN 92 9.886 7.380 -10.031 651 1HB GLN 92 HB2 GLN 92 8.068 6.889 -11.847 652 2HB GLN 92 HB1 GLN 92 9.540 5.919 -11.814 653 1HG GLN 92 HG2 GLN 92 8.077 4.286 -10.372 654 2HG GLN 92 HG1 GLN 92 6.748 5.171 -11.102 655 1HE2 GLN 92 HE21 GLN 92 6.232 3.097 -12.066 656 2HE2 GLN 92 HE22 GLN 92 7.009 2.650 -13.545 657 H LEU 93 HN LEU 93 9.160 8.984 -8.692 658 HA LEU 93 HA LEU 93 6.608 9.300 -7.617 659 1HB LEU 93 HB2 LEU 93 8.564 11.389 -8.586 660 2HB LEU 93 HB1 LEU 93 7.077 11.788 -7.757 661 HG LEU 93 HG LEU 93 8.794 11.936 -6.158 662 1HD1 LEU 93 HD11 LEU 93 6.789 10.855 -5.339 663 2HD1 LEU 93 HD12 LEU 93 8.218 10.209 -4.532 664 3HD1 LEU 93 HD13 LEU 93 7.427 9.278 -5.804 665 1HD2 LEU 93 HD21 LEU 93 10.526 10.733 -7.360 666 2HD2 LEU 93 HD22 LEU 93 9.710 9.203 -7.034 667 3HD2 LEU 93 HD23 LEU 93 10.390 10.143 -5.705 668 H ALA 94 HN ALA 94 7.943 10.346 -10.687 669 HA ALA 94 HA ALA 94 5.694 11.755 -11.596 670 1HB ALA 94 HB1 ALA 94 8.149 11.749 -12.402 671 2HB ALA 94 HB2 ALA 94 6.856 12.022 -13.570 672 3HB ALA 94 HB3 ALA 94 7.622 10.437 -13.457 673 H ASP 95 HN ASP 95 6.755 8.407 -12.238 674 HA ASP 95 HA ASP 95 4.540 8.020 -14.025 675 1HB ASP 95 HB2 ASP 95 6.725 6.966 -14.473 676 2HB ASP 95 HB1 ASP 95 6.504 5.963 -13.041 677 H ALA 96 HN ALA 96 5.488 6.742 -10.871 678 HA ALA 96 HA ALA 96 3.276 4.896 -10.812 679 1HB ALA 96 HB1 ALA 96 5.486 4.340 -9.918 680 2HB ALA 96 HB2 ALA 96 4.195 4.148 -8.732 681 3HB ALA 96 HB3 ALA 96 5.258 5.553 -8.657 682 H TYR 97 HN TYR 97 4.083 7.921 -9.074 683 HA TYR 97 HA TYR 97 2.081 7.407 -7.107 684 1HB TYR 97 HB2 TYR 97 4.242 8.881 -6.928 685 2HB TYR 97 HB1 TYR 97 3.183 10.159 -7.529 686 HD1 TYR 97 HD1 TYR 97 4.318 8.419 -4.670 687 HD2 TYR 97 HD2 TYR 97 0.944 10.495 -6.217 688 HE1 TYR 97 HE1 TYR 97 3.472 8.731 -2.387 689 HE2 TYR 97 HE2 TYR 97 0.089 10.818 -3.932 690 HH TYR 97 HH TYR 97 0.439 9.424 -1.645 691 H VAL 98 HN VAL 98 2.228 9.739 -9.822 692 HA VAL 98 HA VAL 98 -0.377 10.751 -9.373 693 HB VAL 98 HB VAL 98 -0.268 11.764 -11.552 694 1HG1 VAL 98 HG11 VAL 98 1.842 12.995 -11.358 695 2HG1 VAL 98 HG12 VAL 98 2.425 11.796 -10.203 696 3HG1 VAL 98 HG13 VAL 98 1.037 12.807 -9.800 697 1HG2 VAL 98 HG21 VAL 98 1.533 11.312 -13.134 698 2HG2 VAL 98 HG22 VAL 98 0.576 9.862 -12.828 699 3HG2 VAL 98 HG23 VAL 98 2.159 10.051 -12.072 700 H ASP 99 HN ASP 99 0.776 7.896 -10.918 701 HA ASP 99 HA ASP 99 -1.448 7.445 -12.643 702 1HB ASP 99 HB2 ASP 99 1.061 6.417 -12.523 703 2HB ASP 99 HB1 ASP 99 0.142 5.106 -11.790 704 H LEU 100 HN LEU 100 -1.000 7.101 -9.320 705 HA LEU 100 HA LEU 100 -2.536 4.882 -8.653 706 1HB LEU 100 HB2 LEU 100 -2.151 7.507 -7.233 707 2HB LEU 100 HB1 LEU 100 -3.052 6.176 -6.534 708 HG LEU 100 HG LEU 100 -0.156 6.002 -7.367 709 1HD1 LEU 100 HD11 LEU 100 -0.409 7.577 -5.531 710 2HD1 LEU 100 HD12 LEU 100 0.326 6.078 -4.963 711 3HD1 LEU 100 HD13 LEU 100 -1.376 6.403 -4.639 712 1HD2 LEU 100 HD21 LEU 100 -1.324 3.868 -7.387 713 2HD2 LEU 100 HD22 LEU 100 -1.923 4.165 -5.755 714 3HD2 LEU 100 HD23 LEU 100 -0.196 3.945 -6.034 715 H ARG 101 HN ARG 101 -3.564 8.097 -9.649 716 HA ARG 101 HA ARG 101 -6.252 7.852 -8.792 717 1HB ARG 101 HB2 ARG 101 -5.054 9.589 -10.956 718 2HB ARG 101 HB1 ARG 101 -6.710 9.723 -10.381 719 1HG ARG 101 HG2 ARG 101 -4.249 10.098 -8.689 720 2HG ARG 101 HG1 ARG 101 -5.229 11.394 -9.379 721 1HD ARG 101 HD2 ARG 101 -7.135 10.721 -8.084 722 2HD ARG 101 HD1 ARG 101 -6.289 9.287 -7.505 723 HE ARG 101 HE ARG 101 -4.894 11.685 -6.834 724 1HH1 ARG 101 HH11 ARG 101 -7.712 9.812 -5.950 725 2HH1 ARG 101 HH12 ARG 101 -7.602 10.197 -4.254 726 1HH2 ARG 101 HH21 ARG 101 -4.739 12.210 -4.609 727 2HH2 ARG 101 HH22 ARG 101 -5.912 11.559 -3.490 728 HA PRO 102 HA PRO 102 -7.181 6.315 -13.336 729 1HB PRO 102 HB2 PRO 102 -4.483 5.319 -14.066 730 2HB PRO 102 HB1 PRO 102 -5.710 6.093 -15.074 731 1HG PRO 102 HG2 PRO 102 -3.530 7.423 -14.315 732 2HG PRO 102 HG1 PRO 102 -5.109 8.227 -14.398 733 1HD PRO 102 HD2 PRO 102 -3.606 7.235 -12.012 734 2HD PRO 102 HD1 PRO 102 -4.574 8.712 -12.201 735 H TRP 103 HN TRP 103 -4.552 4.771 -11.468 736 HA TRP 103 HA TRP 103 -5.201 2.127 -12.062 737 1HB TRP 103 HB2 TRP 103 -3.772 3.409 -9.766 738 2HB TRP 103 HB1 TRP 103 -4.153 1.693 -9.697 739 HD1 TRP 103 HD1 TRP 103 -3.567 1.295 -12.945 740 HE1 TRP 103 HE1 TRP 103 -1.107 1.115 -13.667 741 HE3 TRP 103 HE3 TRP 103 -1.344 3.430 -8.860 742 HZ2 TRP 103 HZ2 TRP 103 1.437 1.779 -12.653 743 HZ3 TRP 103 HZ3 TRP 103 1.110 3.616 -8.818 744 HH2 TRP 103 HH2 TRP 103 2.481 2.810 -10.674 745 H LEU 104 HN LEU 104 -6.399 4.142 -9.361 746 HA LEU 104 HA LEU 104 -8.015 2.055 -8.311 747 1HB LEU 104 HB2 LEU 104 -9.131 3.790 -6.973 748 2HB LEU 104 HB1 LEU 104 -7.389 3.827 -6.835 749 HG LEU 104 HG LEU 104 -7.617 5.711 -8.687 750 1HD1 LEU 104 HD11 LEU 104 -10.019 5.488 -8.995 751 2HD1 LEU 104 HD12 LEU 104 -9.621 7.074 -8.333 752 3HD1 LEU 104 HD13 LEU 104 -10.283 5.821 -7.283 753 1HD2 LEU 104 HD21 LEU 104 -7.658 7.374 -6.899 754 2HD2 LEU 104 HD22 LEU 104 -6.634 6.000 -6.477 755 3HD2 LEU 104 HD23 LEU 104 -8.244 6.151 -5.771 756 H LEU 105 HN LEU 105 -8.536 4.499 -10.753 757 HA LEU 105 HA LEU 105 -11.359 4.206 -10.932 758 1HB LEU 105 HB2 LEU 105 -9.329 5.161 -12.955 759 2HB LEU 105 HB1 LEU 105 -11.065 5.248 -13.189 760 HG LEU 105 HG LEU 105 -9.579 6.649 -10.967 761 1HD1 LEU 105 HD11 LEU 105 -10.637 7.735 -13.572 762 2HD1 LEU 105 HD12 LEU 105 -8.938 7.531 -13.147 763 3HD1 LEU 105 HD13 LEU 105 -9.935 8.684 -12.262 764 1HD2 LEU 105 HD21 LEU 105 -11.912 6.156 -10.445 765 2HD2 LEU 105 HD22 LEU 105 -12.417 6.905 -11.960 766 3HD2 LEU 105 HD23 LEU 105 -11.670 7.884 -10.698 767 H GLU 106 HN GLU 106 -8.613 2.668 -12.488 768 HA GLU 106 HA GLU 106 -10.099 1.158 -14.362 769 1HB GLU 106 HB2 GLU 106 -7.351 0.674 -13.208 770 2HB GLU 106 HB1 GLU 106 -8.023 -0.176 -14.595 771 1HG GLU 106 HG2 GLU 106 -8.245 2.011 -15.752 772 2HG GLU 106 HG1 GLU 106 -7.409 2.762 -14.391 773 H ILE 107 HN ILE 107 -9.014 0.507 -11.062 774 HA ILE 107 HA ILE 107 -9.993 -2.200 -11.100 775 HB ILE 107 HB ILE 107 -9.248 -0.443 -8.752 776 1HG1 ILE 107 HG12 ILE 107 -7.352 -0.829 -10.228 777 2HG1 ILE 107 HG11 ILE 107 -7.150 -1.754 -8.746 778 1HG2 ILE 107 HG21 ILE 107 -10.736 -2.227 -8.064 779 2HG2 ILE 107 HG22 ILE 107 -9.101 -2.538 -7.481 780 3HG2 ILE 107 HG23 ILE 107 -9.721 -3.417 -8.878 781 1HD1 ILE 107 HD11 ILE 107 -7.870 -3.774 -9.901 782 2HD1 ILE 107 HD12 ILE 107 -6.479 -3.037 -10.698 783 3HD1 ILE 107 HD13 ILE 107 -8.092 -2.850 -11.386 784 H GLY 108 HN GLY 108 -11.210 0.946 -10.269 785 1HA GLY 108 HA2 GLY 108 -13.376 1.693 -10.206 786 2HA GLY 108 HA1 GLY 108 -13.872 0.112 -10.782 787 H PHE 109 HN PHE 109 -12.104 0.703 -7.795 788 HA PHE 109 HA PHE 109 -14.552 0.008 -6.314 789 1HB PHE 109 HB2 PHE 109 -12.743 -1.865 -6.639 790 2HB PHE 109 HB1 PHE 109 -11.873 -0.981 -5.388 791 HD1 PHE 109 HD1 PHE 109 -12.409 -1.284 -3.123 792 HD2 PHE 109 HD2 PHE 109 -15.088 -2.660 -6.130 793 HE1 PHE 109 HE1 PHE 109 -13.740 -2.436 -1.404 794 HE2 PHE 109 HE2 PHE 109 -16.426 -3.809 -4.415 795 HZ PHE 109 HZ PHE 109 -15.753 -3.700 -2.049 796 H SER 110 HN SER 110 -13.329 2.571 -6.853 797 HA SER 110 HA SER 110 -12.848 3.410 -4.085 798 1HB SER 110 HB2 SER 110 -11.279 4.391 -6.487 799 2HB SER 110 HB1 SER 110 -11.095 4.956 -4.825 800 HG SER 110 HG SER 110 -10.562 2.727 -4.298 Start of MODEL 6 1 1H GLY 12 HT1 GLY 12 -6.949 14.355 2.590 2 2H GLY 12 HT2 GLY 12 -7.931 15.732 2.462 3 3H GLY 12 HT3 GLY 12 -7.335 14.984 1.065 4 1HA GLY 12 HA1 GLY 12 -9.689 14.481 1.458 5 2HA GLY 12 HA2 GLY 12 -8.664 13.051 1.436 6 H ALA 13 HN ALA 13 -11.291 13.846 2.806 7 HA ALA 13 HA ALA 13 -10.685 13.674 5.613 8 1HB ALA 13 HB1 ALA 13 -13.107 13.533 5.920 9 2HB ALA 13 HB2 ALA 13 -13.317 13.367 4.176 10 3HB ALA 13 HB3 ALA 13 -12.668 14.863 4.848 11 H MET 14 HN MET 14 -11.141 11.472 3.053 12 HA MET 14 HA MET 14 -11.171 9.229 2.866 13 1HB MET 14 HB2 MET 14 -9.839 9.384 5.569 14 2HB MET 14 HB1 MET 14 -9.971 7.915 4.612 15 1HG MET 14 HG2 MET 14 -8.715 9.057 2.802 16 2HG MET 14 HG1 MET 14 -8.485 10.421 3.889 17 1HE MET 14 HE1 MET 14 -8.531 6.600 4.754 18 2HE MET 14 HE2 MET 14 -6.817 6.198 4.629 19 3HE MET 14 HE3 MET 14 -7.720 6.667 3.189 20 H GLU 15 HN GLU 15 -11.340 8.542 6.231 21 HA GLU 15 HA GLU 15 -12.771 7.196 7.355 22 1HB GLU 15 HB2 GLU 15 -14.761 9.079 6.081 23 2HB GLU 15 HB1 GLU 15 -15.169 7.931 7.352 24 1HG GLU 15 HG2 GLU 15 -13.203 10.204 7.555 25 2HG GLU 15 HG1 GLU 15 -14.806 10.129 8.292 26 H SER 16 HN SER 16 -11.837 6.236 5.015 27 HA SER 16 HA SER 16 -13.628 4.151 4.322 28 1HB SER 16 HB2 SER 16 -14.563 6.039 2.940 29 2HB SER 16 HB1 SER 16 -12.992 6.183 2.151 30 HG SER 16 HG SER 16 -14.976 4.593 1.485 31 H HIS 17 HN HIS 17 -12.416 3.279 1.993 32 HA HIS 17 HA HIS 17 -9.547 3.240 2.699 33 1HB HIS 17 HB2 HIS 17 -11.210 0.863 1.816 34 2HB HIS 17 HB1 HIS 17 -9.473 0.842 2.078 35 HD1 HIS 17 HD1 HIS 17 -8.982 -0.375 4.166 36 HD2 HIS 17 HD2 HIS 17 -12.471 1.867 4.485 37 HE1 HIS 17 HE1 HIS 17 -9.810 -0.733 6.511 38 HE2 HIS 17 HE2 HIS 17 -12.043 0.421 6.588 39 HA PRO 18 HA PRO 18 -10.463 4.412 -1.729 40 1HB PRO 18 HB2 PRO 18 -8.420 6.472 -1.354 41 2HB PRO 18 HB1 PRO 18 -10.106 6.644 -1.836 42 1HG PRO 18 HG2 PRO 18 -9.211 7.459 0.576 43 2HG PRO 18 HG1 PRO 18 -10.850 6.825 0.333 44 1HD PRO 18 HD2 PRO 18 -8.430 5.445 1.440 45 2HD PRO 18 HD1 PRO 18 -10.113 5.392 2.008 46 H HIS 19 HN HIS 19 -7.121 5.077 -0.625 47 HA HIS 19 HA HIS 19 -6.085 3.976 -3.073 48 1HB HIS 19 HB2 HIS 19 -4.531 4.750 -0.595 49 2HB HIS 19 HB1 HIS 19 -3.882 4.508 -2.214 50 HD1 HIS 19 HD1 HIS 19 -5.008 7.084 0.030 51 HD2 HIS 19 HD2 HIS 19 -4.939 6.559 -4.101 52 HE1 HIS 19 HE1 HIS 19 -5.273 9.382 -0.956 53 HE2 HIS 19 HE2 HIS 19 -5.437 9.014 -3.439 54 H ILE 20 HN ILE 20 -6.614 2.959 0.182 55 HA ILE 20 HA ILE 20 -4.880 0.800 0.408 56 HB ILE 20 HB ILE 20 -7.687 0.695 1.484 57 1HG1 ILE 20 HG12 ILE 20 -5.393 2.328 2.600 58 2HG1 ILE 20 HG11 ILE 20 -6.840 2.988 1.846 59 1HG2 ILE 20 HG21 ILE 20 -5.200 0.055 2.999 60 2HG2 ILE 20 HG22 ILE 20 -5.780 -1.083 1.776 61 3HG2 ILE 20 HG23 ILE 20 -6.814 -0.648 3.138 62 1HD1 ILE 20 HD11 ILE 20 -6.960 3.127 4.262 63 2HD1 ILE 20 HD12 ILE 20 -6.752 1.379 4.387 64 3HD1 ILE 20 HD13 ILE 20 -8.202 2.044 3.633 65 H GLN 21 HN GLN 21 -8.226 0.862 -0.841 66 HA GLN 21 HA GLN 21 -8.281 -1.895 -1.483 67 1HB GLN 21 HB2 GLN 21 -10.072 0.367 -1.779 68 2HB GLN 21 HB1 GLN 21 -10.116 -0.690 -3.185 69 1HG GLN 21 HG2 GLN 21 -11.764 -1.545 -1.797 70 2HG GLN 21 HG1 GLN 21 -10.385 -2.600 -1.507 71 1HE2 GLN 21 HE21 GLN 21 -9.232 -2.384 0.460 72 2HE2 GLN 21 HE22 GLN 21 -9.958 -1.651 1.847 73 H LEU 22 HN LEU 22 -7.591 1.007 -3.431 74 HA LEU 22 HA LEU 22 -7.451 -0.367 -5.855 75 1HB LEU 22 HB2 LEU 22 -7.047 1.642 -6.771 76 2HB LEU 22 HB1 LEU 22 -7.550 2.200 -5.192 77 HG LEU 22 HG LEU 22 -4.916 2.039 -4.740 78 1HD1 LEU 22 HD11 LEU 22 -3.685 2.814 -6.703 79 2HD1 LEU 22 HD12 LEU 22 -5.140 2.649 -7.685 80 3HD1 LEU 22 HD13 LEU 22 -4.388 1.220 -6.975 81 1HD2 LEU 22 HD21 LEU 22 -6.304 4.321 -6.142 82 2HD2 LEU 22 HD22 LEU 22 -4.807 4.434 -5.217 83 3HD2 LEU 22 HD23 LEU 22 -6.314 4.007 -4.406 84 H LEU 23 HN LEU 23 -4.828 0.620 -3.630 85 HA LEU 23 HA LEU 23 -2.712 -0.255 -5.210 86 1HB LEU 23 HB2 LEU 23 -3.072 0.397 -2.349 87 2HB LEU 23 HB1 LEU 23 -1.651 -0.540 -2.772 88 HG LEU 23 HG LEU 23 -1.182 1.288 -4.496 89 1HD1 LEU 23 HD11 LEU 23 -3.287 2.409 -4.524 90 2HD1 LEU 23 HD12 LEU 23 -2.058 3.513 -3.904 91 3HD1 LEU 23 HD13 LEU 23 -3.184 2.732 -2.792 92 1HD2 LEU 23 HD21 LEU 23 -1.021 1.939 -1.559 93 2HD2 LEU 23 HD22 LEU 23 -0.055 2.681 -2.835 94 3HD2 LEU 23 HD23 LEU 23 0.133 0.966 -2.470 95 H LYS 24 HN LYS 24 -4.703 -2.089 -2.936 96 HA LYS 24 HA LYS 24 -2.906 -4.259 -2.805 97 1HB LYS 24 HB2 LYS 24 -4.727 -5.558 -1.811 98 2HB LYS 24 HB1 LYS 24 -4.485 -3.998 -1.047 99 1HG LYS 24 HG2 LYS 24 -6.644 -3.653 -1.213 100 2HG LYS 24 HG1 LYS 24 -6.473 -3.587 -2.972 101 1HD LYS 24 HD2 LYS 24 -6.608 -6.278 -1.754 102 2HD LYS 24 HD1 LYS 24 -8.083 -5.317 -1.677 103 1HE LYS 24 HE2 LYS 24 -6.531 -5.826 -4.207 104 2HE LYS 24 HE1 LYS 24 -7.902 -6.802 -3.682 105 1HZ LYS 24 HZ1 LYS 24 -9.367 -5.016 -3.946 106 2HZ LYS 24 HZ2 LYS 24 -8.363 -4.941 -5.312 107 3HZ LYS 24 HZ3 LYS 24 -8.114 -3.872 -4.026 108 H SER 25 HN SER 25 -5.458 -3.503 -5.100 109 HA SER 25 HA SER 25 -5.461 -6.035 -6.382 110 1HB SER 25 HB2 SER 25 -6.112 -3.281 -7.448 111 2HB SER 25 HB1 SER 25 -6.361 -4.771 -8.356 112 HG SER 25 HG SER 25 -8.209 -4.844 -7.390 113 H ASN 26 HN ASN 26 -3.569 -3.072 -6.879 114 HA ASN 26 HA ASN 26 -2.057 -4.395 -8.982 115 1HB ASN 26 HB2 ASN 26 -0.840 -2.172 -9.125 116 2HB ASN 26 HB1 ASN 26 -2.541 -2.161 -9.565 117 1HD2 ASN 26 HD21 ASN 26 -3.846 -0.797 -8.597 118 2HD2 ASN 26 HD22 ASN 26 -3.444 0.172 -7.219 119 H ARG 27 HN ARG 27 -1.869 -5.135 -6.041 120 HA ARG 27 HA ARG 27 0.734 -4.530 -5.158 121 1HB ARG 27 HB2 ARG 27 -0.933 -7.015 -4.739 122 2HB ARG 27 HB1 ARG 27 0.642 -6.771 -3.991 123 1HG ARG 27 HG2 ARG 27 -1.750 -4.994 -3.587 124 2HG ARG 27 HG1 ARG 27 -1.235 -6.276 -2.491 125 1HD ARG 27 HD2 ARG 27 -0.256 -4.451 -1.509 126 2HD ARG 27 HD1 ARG 27 1.048 -4.999 -2.561 127 HE ARG 27 HE ARG 27 -0.633 -3.093 -3.855 128 1HH1 ARG 27 HH11 ARG 27 2.080 -3.451 -1.667 129 2HH1 ARG 27 HH12 ARG 27 2.630 -1.825 -1.875 130 1HH2 ARG 27 HH21 ARG 27 0.075 -0.952 -4.127 131 2HH2 ARG 27 HH22 ARG 27 1.475 -0.393 -3.272 132 H GLU 28 HN GLU 28 -0.524 -6.884 -7.414 133 HA GLU 28 HA GLU 28 1.803 -8.392 -7.861 134 1HB GLU 28 HB2 GLU 28 -0.312 -7.701 -9.913 135 2HB GLU 28 HB1 GLU 28 0.767 -9.087 -9.938 136 1HG GLU 28 HG2 GLU 28 -0.342 -9.959 -7.924 137 2HG GLU 28 HG1 GLU 28 -1.452 -8.591 -7.964 138 H LEU 29 HN LEU 29 0.585 -5.425 -9.282 139 HA LEU 29 HA LEU 29 2.609 -5.162 -11.249 140 1HB LEU 29 HB2 LEU 29 0.404 -4.077 -11.401 141 2HB LEU 29 HB1 LEU 29 0.807 -3.076 -10.021 142 HG LEU 29 HG LEU 29 2.641 -2.048 -11.336 143 1HD1 LEU 29 HD11 LEU 29 3.066 -3.895 -12.869 144 2HD1 LEU 29 HD12 LEU 29 2.718 -2.406 -13.749 145 3HD1 LEU 29 HD13 LEU 29 1.483 -3.657 -13.608 146 1HD2 LEU 29 HD21 LEU 29 0.433 -1.002 -11.205 147 2HD2 LEU 29 HD22 LEU 29 -0.079 -1.905 -12.632 148 3HD2 LEU 29 HD23 LEU 29 1.203 -0.699 -12.762 149 H LEU 30 HN LEU 30 2.114 -3.624 -8.067 150 HA LEU 30 HA LEU 30 4.520 -2.126 -8.256 151 1HB LEU 30 HB2 LEU 30 2.524 -2.601 -6.108 152 2HB LEU 30 HB1 LEU 30 4.085 -1.920 -5.675 153 HG LEU 30 HG LEU 30 3.683 -0.098 -7.357 154 1HD1 LEU 30 HD11 LEU 30 1.428 0.270 -8.168 155 2HD1 LEU 30 HD12 LEU 30 0.903 -1.249 -7.442 156 3HD1 LEU 30 HD13 LEU 30 2.072 -1.260 -8.763 157 1HD2 LEU 30 HD21 LEU 30 3.286 0.248 -4.991 158 2HD2 LEU 30 HD22 LEU 30 1.647 -0.380 -5.159 159 3HD2 LEU 30 HD23 LEU 30 2.104 1.122 -5.962 160 H VAL 31 HN VAL 31 3.804 -5.305 -6.883 161 HA VAL 31 HA VAL 31 6.218 -5.530 -5.438 162 HB VAL 31 HB VAL 31 4.286 -7.077 -5.121 163 1HG1 VAL 31 HG11 VAL 31 3.751 -7.578 -7.438 164 2HG1 VAL 31 HG12 VAL 31 4.080 -9.056 -6.534 165 3HG1 VAL 31 HG13 VAL 31 5.298 -8.403 -7.628 166 1HG2 VAL 31 HG21 VAL 31 6.957 -8.367 -5.646 167 2HG2 VAL 31 HG22 VAL 31 5.659 -9.058 -4.673 168 3HG2 VAL 31 HG23 VAL 31 6.452 -7.569 -4.157 169 H THR 32 HN THR 32 5.339 -6.455 -8.750 170 HA THR 32 HA THR 32 7.931 -7.411 -9.421 171 HB THR 32 HB THR 32 5.805 -8.094 -10.596 172 HG1 THR 32 HG1 THR 32 8.107 -8.219 -11.432 173 1HG2 THR 32 HG21 THR 32 4.799 -5.900 -10.935 174 2HG2 THR 32 HG22 THR 32 5.054 -6.705 -12.484 175 3HG2 THR 32 HG23 THR 32 6.149 -5.422 -11.965 176 H HIS 33 HN HIS 33 6.416 -4.274 -9.447 177 HA HIS 33 HA HIS 33 7.821 -2.838 -11.298 178 1HB HIS 33 HB2 HIS 33 6.600 -2.150 -8.684 179 2HB HIS 33 HB1 HIS 33 7.744 -0.963 -9.336 180 HD1 HIS 33 HD1 HIS 33 6.932 -1.296 -12.366 181 HD2 HIS 33 HD2 HIS 33 4.290 -0.775 -9.191 182 HE1 HIS 33 HE1 HIS 33 4.868 -0.271 -13.359 183 HE2 HIS 33 HE2 HIS 33 3.358 0.188 -11.401 184 H ILE 34 HN ILE 34 8.844 -2.645 -7.875 185 HA ILE 34 HA ILE 34 11.562 -3.257 -8.706 186 HB ILE 34 HB ILE 34 10.944 -0.659 -7.280 187 1HG1 ILE 34 HG12 ILE 34 12.154 -1.232 -9.994 188 2HG1 ILE 34 HG11 ILE 34 10.596 -0.477 -9.679 189 1HG2 ILE 34 HG21 ILE 34 13.369 -0.293 -7.292 190 2HG2 ILE 34 HG22 ILE 34 13.606 -1.905 -7.966 191 3HG2 ILE 34 HG23 ILE 34 12.927 -1.717 -6.348 192 1HD1 ILE 34 HD11 ILE 34 13.291 0.676 -8.994 193 2HD1 ILE 34 HD12 ILE 34 11.732 1.432 -8.663 194 3HD1 ILE 34 HD13 ILE 34 12.247 1.170 -10.329 195 H ARG 35 HN ARG 35 10.084 -1.831 -5.758 196 HA ARG 35 HA ARG 35 11.547 -3.923 -4.295 197 1HB ARG 35 HB2 ARG 35 10.738 -1.173 -3.343 198 2HB ARG 35 HB1 ARG 35 11.576 -2.377 -2.375 199 1HG ARG 35 HG2 ARG 35 12.624 -1.037 -4.859 200 2HG ARG 35 HG1 ARG 35 13.129 -0.724 -3.198 201 1HD ARG 35 HD2 ARG 35 13.438 -3.342 -4.671 202 2HD ARG 35 HD1 ARG 35 14.718 -2.163 -4.394 203 HE ARG 35 HE ARG 35 14.066 -2.616 -1.907 204 1HH1 ARG 35 HH11 ARG 35 14.363 -4.926 -4.526 205 2HH1 ARG 35 HH12 ARG 35 14.721 -6.264 -3.468 206 1HH2 ARG 35 HH21 ARG 35 14.567 -4.370 -0.519 207 2HH2 ARG 35 HH22 ARG 35 14.829 -5.950 -1.201 208 H ASN 36 HN ASN 36 8.493 -2.117 -4.247 209 HA ASN 36 HA ASN 36 6.441 -2.571 -3.382 210 1HB ASN 36 HB2 ASN 36 6.546 -4.758 -4.398 211 2HB ASN 36 HB1 ASN 36 7.537 -5.374 -3.082 212 1HD2 ASN 36 HD21 ASN 36 6.570 -6.011 -1.198 213 2HD2 ASN 36 HD22 ASN 36 4.859 -6.071 -0.978 214 H THR 37 HN THR 37 8.907 -4.251 -1.438 215 HA THR 37 HA THR 37 7.514 -4.277 0.974 216 HB THR 37 HB THR 37 9.444 -5.706 0.485 217 HG1 THR 37 HG1 THR 37 10.569 -4.658 2.678 218 1HG2 THR 37 HG21 THR 37 10.851 -4.052 -0.651 219 2HG2 THR 37 HG22 THR 37 11.724 -4.844 0.659 220 3HG2 THR 37 HG23 THR 37 11.099 -3.211 0.879 221 H GLN 38 HN GLN 38 8.952 -1.566 -0.507 222 HA GLN 38 HA GLN 38 9.862 -0.145 1.739 223 1HB GLN 38 HB2 GLN 38 8.816 0.863 -0.905 224 2HB GLN 38 HB1 GLN 38 9.609 1.872 0.298 225 1HG GLN 38 HG2 GLN 38 10.837 -0.488 -1.109 226 2HG GLN 38 HG1 GLN 38 11.154 1.210 -1.460 227 1HE2 GLN 38 HE21 GLN 38 11.627 -1.384 0.825 228 2HE2 GLN 38 HE22 GLN 38 12.883 -0.621 1.740 229 H CYS 39 HN CYS 39 6.663 -0.708 0.517 230 HA CYS 39 HA CYS 39 5.331 1.445 1.756 231 1HB CYS 39 HB2 CYS 39 3.315 -0.025 1.544 232 2HB CYS 39 HB1 CYS 39 4.211 0.187 0.044 233 HG CYS 39 HG CYS 39 3.684 -2.582 1.878 234 H LEU 40 HN LEU 40 6.032 -1.846 2.859 235 HA LEU 40 HA LEU 40 4.459 -1.589 5.206 236 1HB LEU 40 HB2 LEU 40 5.583 -3.750 5.869 237 2HB LEU 40 HB1 LEU 40 4.615 -3.750 4.404 238 HG LEU 40 HG LEU 40 6.951 -3.324 3.245 239 1HD1 LEU 40 HD11 LEU 40 8.749 -4.535 4.409 240 2HD1 LEU 40 HD12 LEU 40 7.704 -4.725 5.818 241 3HD1 LEU 40 HD13 LEU 40 8.221 -3.116 5.315 242 1HD2 LEU 40 HD21 LEU 40 7.161 -5.738 2.941 243 2HD2 LEU 40 HD22 LEU 40 5.473 -5.233 2.856 244 3HD2 LEU 40 HD23 LEU 40 6.088 -6.017 4.312 245 H VAL 41 HN VAL 41 7.913 -1.180 4.573 246 HA VAL 41 HA VAL 41 8.693 -1.095 7.277 247 HB VAL 41 HB VAL 41 10.620 0.372 6.395 248 1HG1 VAL 41 HG11 VAL 41 10.138 -2.414 5.333 249 2HG1 VAL 41 HG12 VAL 41 10.838 -1.994 6.896 250 3HG1 VAL 41 HG13 VAL 41 11.708 -1.614 5.411 251 1HG2 VAL 41 HG21 VAL 41 9.310 1.022 4.322 252 2HG2 VAL 41 HG22 VAL 41 9.605 -0.622 3.742 253 3HG2 VAL 41 HG23 VAL 41 10.963 0.459 4.053 254 H ASP 42 HN ASP 42 7.766 1.593 5.080 255 HA ASP 42 HA ASP 42 8.033 3.570 7.109 256 1HB ASP 42 HB2 ASP 42 7.658 3.733 4.443 257 2HB ASP 42 HB1 ASP 42 6.016 4.059 4.998 258 H ASN 43 HN ASN 43 5.465 1.391 6.207 259 HA ASN 43 HA ASN 43 3.445 2.457 7.863 260 1HB ASN 43 HB2 ASN 43 2.449 0.888 6.573 261 2HB ASN 43 HB1 ASN 43 3.941 -0.031 6.371 262 1HD2 ASN 43 HD21 ASN 43 4.458 -1.623 7.821 263 2HD2 ASN 43 HD22 ASN 43 3.287 -2.312 8.885 264 H LEU 44 HN LEU 44 6.184 0.384 8.465 265 HA LEU 44 HA LEU 44 5.378 -0.351 11.130 266 1HB LEU 44 HB2 LEU 44 6.701 -1.986 10.178 267 2HB LEU 44 HB1 LEU 44 7.746 -0.845 9.384 268 HG LEU 44 HG LEU 44 8.779 -2.276 11.185 269 1HD1 LEU 44 HD11 LEU 44 9.934 -0.346 10.387 270 2HD1 LEU 44 HD12 LEU 44 10.138 -0.465 12.129 271 3HD1 LEU 44 HD13 LEU 44 9.010 0.707 11.449 272 1HD2 LEU 44 HD21 LEU 44 7.015 -2.178 12.834 273 2HD2 LEU 44 HD22 LEU 44 7.254 -0.438 13.003 274 3HD2 LEU 44 HD23 LEU 44 8.527 -1.554 13.492 275 H LEU 45 HN LEU 45 7.481 1.965 9.580 276 HA LEU 45 HA LEU 45 8.553 3.188 11.832 277 1HB LEU 45 HB2 LEU 45 9.490 3.881 9.853 278 2HB LEU 45 HB1 LEU 45 7.964 3.931 9.014 279 HG LEU 45 HG LEU 45 9.232 6.104 9.290 280 1HD1 LEU 45 HD11 LEU 45 6.384 5.558 9.569 281 2HD1 LEU 45 HD12 LEU 45 7.240 6.754 8.573 282 3HD1 LEU 45 HD13 LEU 45 6.864 7.122 10.255 283 1HD2 LEU 45 HD21 LEU 45 8.175 5.934 12.106 284 2HD2 LEU 45 HD22 LEU 45 8.964 7.328 11.368 285 3HD2 LEU 45 HD23 LEU 45 9.870 5.838 11.634 286 H LYS 46 HN LYS 46 5.493 3.832 10.140 287 HA LYS 46 HA LYS 46 4.769 5.895 11.976 288 1HB LYS 46 HB2 LYS 46 4.130 5.505 9.456 289 2HB LYS 46 HB1 LYS 46 2.773 4.633 10.166 290 1HG LYS 46 HG2 LYS 46 2.177 6.943 9.709 291 2HG LYS 46 HG1 LYS 46 2.152 6.615 11.445 292 1HD LYS 46 HD2 LYS 46 4.461 7.563 11.581 293 2HD LYS 46 HD1 LYS 46 4.312 8.030 9.885 294 1HE LYS 46 HE2 LYS 46 3.796 9.924 11.276 295 2HE LYS 46 HE1 LYS 46 2.325 9.379 10.472 296 1HZ LYS 46 HZ1 LYS 46 1.765 8.162 12.548 297 2HZ LYS 46 HZ2 LYS 46 1.823 9.842 12.740 298 3HZ LYS 46 HZ3 LYS 46 3.109 8.881 13.297 299 H ASN 47 HN ASN 47 3.835 2.481 11.632 300 HA ASN 47 HA ASN 47 1.803 2.880 13.713 301 1HB ASN 47 HB2 ASN 47 2.270 0.578 11.817 302 2HB ASN 47 HB1 ASN 47 1.011 0.607 13.046 303 1HD2 ASN 47 HD21 ASN 47 0.863 0.476 10.095 304 2HD2 ASN 47 HD22 ASN 47 -0.145 1.800 9.637 305 H ASP 48 HN ASP 48 4.884 1.546 13.274 306 HA ASP 48 HA ASP 48 6.400 0.697 14.696 307 1HB ASP 48 HB2 ASP 48 5.470 2.683 15.999 308 2HB ASP 48 HB1 ASP 48 4.594 1.500 16.963 309 H TYR 49 HN TYR 49 4.152 -1.159 13.879 310 HA TYR 49 HA TYR 49 5.287 -3.343 15.246 311 1HB TYR 49 HB2 TYR 49 3.379 -4.287 16.409 312 2HB TYR 49 HB1 TYR 49 3.839 -2.736 17.090 313 HD1 TYR 49 HD1 TYR 49 2.302 -0.905 17.132 314 HD2 TYR 49 HD2 TYR 49 1.288 -4.482 15.064 315 HE1 TYR 49 HE1 TYR 49 -0.033 -0.151 16.980 316 HE2 TYR 49 HE2 TYR 49 -1.046 -3.732 14.902 317 HH TYR 49 HH TYR 49 -2.009 -0.523 15.634 318 H PHE 50 HN PHE 50 3.181 -2.118 12.870 319 HA PHE 50 HA PHE 50 2.365 -4.672 11.788 320 1HB PHE 50 HB2 PHE 50 2.229 -1.815 10.852 321 2HB PHE 50 HB1 PHE 50 1.851 -3.143 9.761 322 HD1 PHE 50 HD1 PHE 50 0.475 -0.812 11.883 323 HD2 PHE 50 HD2 PHE 50 0.208 -4.950 10.907 324 HE1 PHE 50 HE1 PHE 50 -1.816 -0.885 12.791 325 HE2 PHE 50 HE2 PHE 50 -2.080 -5.024 11.811 326 HZ PHE 50 HZ PHE 50 -3.113 -2.989 12.703 327 H SER 51 HN SER 51 5.202 -4.182 12.267 328 HA SER 51 HA SER 51 6.565 -3.940 9.811 329 1HB SER 51 HB2 SER 51 8.395 -5.084 11.319 330 2HB SER 51 HB1 SER 51 7.893 -3.422 11.625 331 HG SER 51 HG SER 51 7.586 -5.656 13.168 332 H ALA 52 HN ALA 52 8.196 -5.770 9.359 333 HA ALA 52 HA ALA 52 7.053 -7.877 8.102 334 1HB ALA 52 HB1 ALA 52 9.772 -7.896 9.387 335 2HB ALA 52 HB2 ALA 52 9.376 -7.172 7.829 336 3HB ALA 52 HB3 ALA 52 9.238 -8.917 8.051 337 H GLU 53 HN GLU 53 7.869 -7.853 11.597 338 HA GLU 53 HA GLU 53 7.543 -10.639 11.969 339 1HB GLU 53 HB2 GLU 53 6.828 -8.469 13.950 340 2HB GLU 53 HB1 GLU 53 7.146 -10.156 14.321 341 1HG GLU 53 HG2 GLU 53 9.179 -9.364 14.842 342 2HG GLU 53 HG1 GLU 53 9.448 -9.521 13.107 343 H ASP 54 HN ASP 54 5.198 -7.993 12.311 344 HA ASP 54 HA ASP 54 2.929 -9.641 12.749 345 1HB ASP 54 HB2 ASP 54 2.689 -7.383 13.404 346 2HB ASP 54 HB1 ASP 54 3.319 -6.779 11.879 347 H ALA 55 HN ALA 55 4.415 -8.197 9.958 348 HA ALA 55 HA ALA 55 2.596 -8.891 8.001 349 1HB ALA 55 HB1 ALA 55 4.425 -7.324 7.626 350 2HB ALA 55 HB2 ALA 55 4.436 -8.602 6.412 351 3HB ALA 55 HB3 ALA 55 5.593 -8.640 7.741 352 H GLU 56 HN GLU 56 5.390 -10.732 9.208 353 HA GLU 56 HA GLU 56 5.326 -12.732 7.236 354 1HB GLU 56 HB2 GLU 56 7.267 -12.198 8.721 355 2HB GLU 56 HB1 GLU 56 6.413 -12.984 10.041 356 1HG GLU 56 HG2 GLU 56 6.386 -15.073 8.714 357 2HG GLU 56 HG1 GLU 56 7.366 -14.265 7.493 358 H ILE 57 HN ILE 57 3.746 -12.500 10.381 359 HA ILE 57 HA ILE 57 2.901 -15.214 10.458 360 HB ILE 57 HB ILE 57 1.503 -12.901 11.800 361 1HG1 ILE 57 HG12 ILE 57 3.800 -12.675 12.425 362 2HG1 ILE 57 HG11 ILE 57 2.979 -13.455 13.773 363 1HG2 ILE 57 HG21 ILE 57 0.277 -14.981 11.878 364 2HG2 ILE 57 HG22 ILE 57 0.909 -14.600 13.479 365 3HG2 ILE 57 HG23 ILE 57 1.698 -15.826 12.488 366 1HD1 ILE 57 HD11 ILE 57 4.801 -14.712 11.745 367 2HD1 ILE 57 HD12 ILE 57 3.822 -15.644 12.881 368 3HD1 ILE 57 HD13 ILE 57 5.060 -14.541 13.483 369 H VAL 58 HN VAL 58 1.225 -12.224 9.525 370 HA VAL 58 HA VAL 58 -1.178 -13.580 8.806 371 HB VAL 58 HB VAL 58 -0.321 -10.782 8.074 372 1HG1 VAL 58 HG11 VAL 58 -2.723 -10.354 7.826 373 2HG1 VAL 58 HG12 VAL 58 -3.053 -12.059 8.135 374 3HG1 VAL 58 HG13 VAL 58 -2.156 -11.582 6.692 375 1HG2 VAL 58 HG21 VAL 58 -1.670 -10.089 10.012 376 2HG2 VAL 58 HG22 VAL 58 -0.291 -11.085 10.481 377 3HG2 VAL 58 HG23 VAL 58 -1.910 -11.784 10.434 378 H CYS 59 HN CYS 59 1.642 -12.479 6.979 379 HA CYS 59 HA CYS 59 0.456 -12.548 4.420 380 1HB CYS 59 HB2 CYS 59 2.681 -12.400 3.513 381 2HB CYS 59 HB1 CYS 59 2.566 -11.356 4.924 382 HG CYS 59 HG CYS 59 4.170 -14.371 4.717 383 H ALA 60 HN ALA 60 1.567 -15.063 6.439 384 HA ALA 60 HA ALA 60 2.561 -17.014 4.841 385 1HB ALA 60 HB1 ALA 60 0.602 -17.386 7.097 386 2HB ALA 60 HB2 ALA 60 2.354 -17.233 7.240 387 3HB ALA 60 HB3 ALA 60 1.653 -18.636 6.432 388 H CYS 61 HN CYS 61 -0.781 -15.943 4.814 389 HA CYS 61 HA CYS 61 -1.393 -18.136 2.959 390 1HB CYS 61 HB2 CYS 61 -3.333 -16.353 4.443 391 2HB CYS 61 HB1 CYS 61 -3.765 -17.690 3.382 392 HG CYS 61 HG CYS 61 -2.844 -19.682 4.997 393 HA PRO 62 HA PRO 62 -2.925 -14.383 0.438 394 1HB PRO 62 HB2 PRO 62 -2.624 -11.916 1.900 395 2HB PRO 62 HB1 PRO 62 -4.107 -12.702 1.370 396 1HG PRO 62 HG2 PRO 62 -3.396 -12.447 3.987 397 2HG PRO 62 HG1 PRO 62 -4.399 -13.778 3.381 398 1HD PRO 62 HD2 PRO 62 -1.449 -13.737 3.949 399 2HD PRO 62 HD1 PRO 62 -2.659 -14.969 4.377 400 H THR 63 HN THR 63 -0.054 -14.863 1.430 401 HA THR 63 HA THR 63 2.066 -14.349 0.950 402 HB THR 63 HB THR 63 2.597 -13.309 -1.223 403 HG1 THR 63 HG1 THR 63 -0.029 -12.525 -1.076 404 1HG2 THR 63 HG21 THR 63 2.205 -15.696 -1.099 405 2HG2 THR 63 HG22 THR 63 1.580 -15.061 -2.620 406 3HG2 THR 63 HG23 THR 63 0.470 -15.445 -1.304 407 H GLN 64 HN GLN 64 3.558 -12.349 0.214 408 HA GLN 64 HA GLN 64 3.400 -10.612 2.414 409 1HB GLN 64 HB2 GLN 64 5.487 -11.302 1.219 410 2HB GLN 64 HB1 GLN 64 5.048 -10.191 -0.070 411 1HG GLN 64 HG2 GLN 64 5.187 -8.315 1.460 412 2HG GLN 64 HG1 GLN 64 5.541 -9.410 2.797 413 1HE2 GLN 64 HE21 GLN 64 7.141 -7.213 1.807 414 2HE2 GLN 64 HE22 GLN 64 8.665 -7.884 1.326 415 HA PRO 65 HA PRO 65 2.203 -7.143 -0.694 416 1HB PRO 65 HB2 PRO 65 0.689 -7.914 -2.819 417 2HB PRO 65 HB1 PRO 65 2.440 -7.667 -2.877 418 1HG PRO 65 HG2 PRO 65 0.878 -10.211 -2.584 419 2HG PRO 65 HG1 PRO 65 2.309 -9.882 -3.582 420 1HD PRO 65 HD2 PRO 65 2.496 -11.163 -1.229 421 2HD PRO 65 HD1 PRO 65 3.756 -10.042 -1.783 422 H ASP 66 HN ASP 66 -0.178 -9.871 -0.264 423 HA ASP 66 HA ASP 66 -2.355 -8.025 0.016 424 1HB ASP 66 HB2 ASP 66 -2.318 -10.714 -0.238 425 2HB ASP 66 HB1 ASP 66 -2.472 -10.578 1.508 426 H LYS 67 HN LYS 67 0.042 -9.390 2.139 427 HA LYS 67 HA LYS 67 -1.052 -8.746 4.612 428 1HB LYS 67 HB2 LYS 67 0.895 -10.172 4.418 429 2HB LYS 67 HB1 LYS 67 1.851 -8.826 3.771 430 1HG LYS 67 HG2 LYS 67 2.308 -9.330 6.148 431 2HG LYS 67 HG1 LYS 67 1.751 -7.678 5.872 432 1HD LYS 67 HD2 LYS 67 -0.552 -8.450 6.478 433 2HD LYS 67 HD1 LYS 67 0.151 -9.998 6.942 434 1HE LYS 67 HE2 LYS 67 -0.236 -8.352 8.812 435 2HE LYS 67 HE1 LYS 67 1.393 -9.005 8.712 436 1HZ LYS 67 HZ1 LYS 67 2.146 -7.016 7.688 437 2HZ LYS 67 HZ2 LYS 67 1.322 -6.615 9.117 438 3HZ LYS 67 HZ3 LYS 67 0.577 -6.391 7.607 439 H VAL 68 HN VAL 68 0.825 -6.719 2.381 440 HA VAL 68 HA VAL 68 0.861 -4.520 4.185 441 HB VAL 68 HB VAL 68 1.583 -3.104 2.373 442 1HG1 VAL 68 HG11 VAL 68 2.866 -5.808 2.530 443 2HG1 VAL 68 HG12 VAL 68 3.318 -4.324 3.367 444 3HG1 VAL 68 HG13 VAL 68 3.581 -4.471 1.629 445 1HG2 VAL 68 HG21 VAL 68 1.870 -3.924 0.096 446 2HG2 VAL 68 HG22 VAL 68 0.171 -3.928 0.572 447 3HG2 VAL 68 HG23 VAL 68 1.083 -5.438 0.536 448 H ARG 69 HN ARG 69 -1.373 -5.503 1.602 449 HA ARG 69 HA ARG 69 -3.103 -3.335 1.694 450 1HB ARG 69 HB2 ARG 69 -3.741 -4.934 0.141 451 2HB ARG 69 HB1 ARG 69 -3.502 -6.268 1.258 452 1HG ARG 69 HG2 ARG 69 -5.849 -5.985 0.740 453 2HG ARG 69 HG1 ARG 69 -5.553 -5.640 2.445 454 1HD ARG 69 HD2 ARG 69 -5.394 -3.182 1.651 455 2HD ARG 69 HD1 ARG 69 -6.207 -3.768 0.201 456 HE ARG 69 HE ARG 69 -7.461 -3.091 2.573 457 1HH1 ARG 69 HH11 ARG 69 -7.444 -5.931 0.473 458 2HH1 ARG 69 HH12 ARG 69 -9.043 -6.422 0.931 459 1HH2 ARG 69 HH21 ARG 69 -9.548 -3.733 3.128 460 2HH2 ARG 69 HH22 ARG 69 -10.255 -5.151 2.412 461 H LYS 70 HN LYS 70 -2.786 -6.051 3.907 462 HA LYS 70 HA LYS 70 -4.924 -5.401 5.610 463 1HB LYS 70 HB2 LYS 70 -4.121 -7.577 5.811 464 2HB LYS 70 HB1 LYS 70 -2.444 -7.061 5.877 465 1HG LYS 70 HG2 LYS 70 -4.214 -6.253 8.117 466 2HG LYS 70 HG1 LYS 70 -3.755 -7.950 8.003 467 1HD LYS 70 HD2 LYS 70 -1.354 -7.062 7.723 468 2HD LYS 70 HD1 LYS 70 -1.990 -5.538 8.335 469 1HE LYS 70 HE2 LYS 70 -2.029 -8.211 9.742 470 2HE LYS 70 HE1 LYS 70 -0.979 -6.848 10.127 471 1HZ LYS 70 HZ1 LYS 70 -2.800 -6.922 11.666 472 2HZ LYS 70 HZ2 LYS 70 -3.946 -6.955 10.411 473 3HZ LYS 70 HZ3 LYS 70 -3.010 -5.569 10.668 474 H ILE 71 HN ILE 71 -1.486 -4.452 5.732 475 HA ILE 71 HA ILE 71 -1.783 -3.178 8.255 476 HB ILE 71 HB ILE 71 0.406 -2.068 7.770 477 1HG1 ILE 71 HG12 ILE 71 0.248 -3.766 5.274 478 2HG1 ILE 71 HG11 ILE 71 0.418 -2.018 5.353 479 1HG2 ILE 71 HG21 ILE 71 0.232 -5.058 7.546 480 2HG2 ILE 71 HG22 ILE 71 0.228 -4.107 9.032 481 3HG2 ILE 71 HG23 ILE 71 1.670 -4.150 8.013 482 1HD1 ILE 71 HD11 ILE 71 2.488 -4.098 6.099 483 2HD1 ILE 71 HD12 ILE 71 2.642 -2.368 6.440 484 3HD1 ILE 71 HD13 ILE 71 2.531 -2.925 4.774 485 H LEU 72 HN LEU 72 -1.807 -1.924 4.929 486 HA LEU 72 HA LEU 72 -2.272 0.767 5.688 487 1HB LEU 72 HB2 LEU 72 -3.009 -0.686 3.166 488 2HB LEU 72 HB1 LEU 72 -3.318 1.018 3.455 489 HG LEU 72 HG LEU 72 -0.959 1.498 3.537 490 1HD1 LEU 72 HD11 LEU 72 -0.112 -0.565 4.516 491 2HD1 LEU 72 HD12 LEU 72 0.732 -0.169 3.020 492 3HD1 LEU 72 HD13 LEU 72 -0.498 -1.433 3.030 493 1HD2 LEU 72 HD21 LEU 72 -2.116 1.505 1.427 494 2HD2 LEU 72 HD22 LEU 72 -1.723 -0.198 1.167 495 3HD2 LEU 72 HD23 LEU 72 -0.437 1.019 1.209 496 H ASP 73 HN ASP 73 -4.356 -2.026 5.331 497 HA ASP 73 HA ASP 73 -6.805 -0.621 5.160 498 1HB ASP 73 HB2 ASP 73 -6.101 -3.266 4.925 499 2HB ASP 73 HB1 ASP 73 -6.941 -3.248 6.470 500 H LEU 74 HN LEU 74 -5.070 -2.059 7.902 501 HA LEU 74 HA LEU 74 -7.089 -1.272 9.770 502 1HB LEU 74 HB2 LEU 74 -4.387 -2.506 9.981 503 2HB LEU 74 HB1 LEU 74 -5.077 -1.757 11.415 504 HG LEU 74 HG LEU 74 -7.071 -3.235 11.168 505 1HD1 LEU 74 HD11 LEU 74 -6.926 -3.694 8.788 506 2HD1 LEU 74 HD12 LEU 74 -6.917 -5.193 9.718 507 3HD1 LEU 74 HD13 LEU 74 -5.415 -4.570 9.036 508 1HD2 LEU 74 HD21 LEU 74 -4.406 -4.617 11.410 509 2HD2 LEU 74 HD22 LEU 74 -5.950 -5.270 11.955 510 3HD2 LEU 74 HD23 LEU 74 -5.291 -3.816 12.707 511 H VAL 75 HN VAL 75 -4.082 0.139 8.622 512 HA VAL 75 HA VAL 75 -3.999 2.214 10.568 513 HB VAL 75 HB VAL 75 -2.064 1.511 9.027 514 1HG1 VAL 75 HG11 VAL 75 -3.220 1.623 6.922 515 2HG1 VAL 75 HG12 VAL 75 -1.847 2.731 6.947 516 3HG1 VAL 75 HG13 VAL 75 -3.487 3.351 7.145 517 1HG2 VAL 75 HG21 VAL 75 -1.228 3.904 8.916 518 2HG2 VAL 75 HG22 VAL 75 -1.746 3.323 10.502 519 3HG2 VAL 75 HG23 VAL 75 -2.806 4.369 9.558 520 H GLN 76 HN GLN 76 -5.514 1.810 7.457 521 HA GLN 76 HA GLN 76 -6.880 3.028 6.173 522 1HB GLN 76 HB2 GLN 76 -7.423 4.436 8.777 523 2HB GLN 76 HB1 GLN 76 -8.254 4.844 7.280 524 1HG GLN 76 HG2 GLN 76 -9.116 2.586 7.112 525 2HG GLN 76 HG1 GLN 76 -8.242 2.124 8.570 526 1HE2 GLN 76 HE21 GLN 76 -9.831 5.212 8.166 527 2HE2 GLN 76 HE22 GLN 76 -11.103 4.930 9.307 528 H SER 77 HN SER 77 -5.435 5.515 8.316 529 HA SER 77 HA SER 77 -5.162 7.209 5.987 530 1HB SER 77 HB2 SER 77 -4.521 7.768 8.887 531 2HB SER 77 HB1 SER 77 -4.566 8.965 7.590 532 HG SER 77 HG SER 77 -6.836 8.091 7.304 533 H LYS 78 HN LYS 78 -2.831 6.418 8.635 534 HA LYS 78 HA LYS 78 -0.732 7.696 7.293 535 1HB LYS 78 HB2 LYS 78 -0.601 5.622 9.475 536 2HB LYS 78 HB1 LYS 78 0.813 6.506 8.881 537 1HG LYS 78 HG2 LYS 78 -1.479 7.437 10.549 538 2HG LYS 78 HG1 LYS 78 0.245 7.768 10.704 539 1HD LYS 78 HD2 LYS 78 -1.658 8.965 8.688 540 2HD LYS 78 HD1 LYS 78 -0.917 9.789 10.060 541 1HE LYS 78 HE2 LYS 78 1.267 9.570 9.072 542 2HE LYS 78 HE1 LYS 78 0.615 8.580 7.765 543 1HZ LYS 78 HZ1 LYS 78 0.039 11.455 8.276 544 2HZ LYS 78 HZ2 LYS 78 -0.739 10.521 7.097 545 3HZ LYS 78 HZ3 LYS 78 0.924 10.812 6.979 546 H GLY 79 HN GLY 79 -1.338 4.180 7.517 547 1HA GLY 79 HA2 GLY 79 1.117 3.503 6.284 548 2HA GLY 79 HA1 GLY 79 -0.262 2.430 6.515 549 H GLU 80 HN GLU 80 -2.214 3.723 5.125 550 HA GLU 80 HA GLU 80 -1.818 3.045 2.468 551 1HB GLU 80 HB2 GLU 80 -4.041 3.502 3.355 552 2HB GLU 80 HB1 GLU 80 -3.625 5.199 3.592 553 1HG GLU 80 HG2 GLU 80 -3.176 5.209 1.058 554 2HG GLU 80 HG1 GLU 80 -4.104 3.715 1.044 555 H GLU 81 HN GLU 81 -1.443 6.253 3.964 556 HA GLU 81 HA GLU 81 -0.751 7.571 1.543 557 1HB GLU 81 HB2 GLU 81 -1.735 8.791 3.392 558 2HB GLU 81 HB1 GLU 81 -0.388 8.367 4.437 559 1HG GLU 81 HG2 GLU 81 1.106 9.656 2.918 560 2HG GLU 81 HG1 GLU 81 -0.331 10.191 2.045 561 H VAL 82 HN VAL 82 1.179 6.355 4.269 562 HA VAL 82 HA VAL 82 3.613 7.404 3.231 563 HB VAL 82 HB VAL 82 4.764 6.060 4.946 564 1HG1 VAL 82 HG11 VAL 82 3.817 7.203 6.882 565 2HG1 VAL 82 HG12 VAL 82 2.362 7.570 5.955 566 3HG1 VAL 82 HG13 VAL 82 3.908 8.272 5.480 567 1HG2 VAL 82 HG21 VAL 82 3.252 4.107 4.963 568 2HG2 VAL 82 HG22 VAL 82 2.018 5.093 5.736 569 3HG2 VAL 82 HG23 VAL 82 3.532 4.759 6.573 570 H SER 83 HN SER 83 1.952 4.340 2.918 571 HA SER 83 HA SER 83 4.116 2.802 1.966 572 1HB SER 83 HB2 SER 83 1.128 2.587 1.671 573 2HB SER 83 HB1 SER 83 2.209 1.425 0.913 574 HG SER 83 HG SER 83 1.847 1.985 3.656 575 H GLU 84 HN GLU 84 1.569 4.589 0.186 576 HA GLU 84 HA GLU 84 2.554 3.788 -2.346 577 1HB GLU 84 HB2 GLU 84 1.127 5.657 -3.243 578 2HB GLU 84 HB1 GLU 84 0.273 4.492 -2.246 579 1HG GLU 84 HG2 GLU 84 0.292 6.028 -0.376 580 2HG GLU 84 HG1 GLU 84 1.240 7.185 -1.310 581 H PHE 85 HN PHE 85 3.009 6.697 -0.399 582 HA PHE 85 HA PHE 85 4.499 8.107 -2.324 583 1HB PHE 85 HB2 PHE 85 3.426 9.185 -0.403 584 2HB PHE 85 HB1 PHE 85 4.517 8.345 0.693 585 HD1 PHE 85 HD1 PHE 85 6.251 9.570 1.528 586 HD2 PHE 85 HD2 PHE 85 4.756 10.507 -2.343 587 HE1 PHE 85 HE1 PHE 85 7.857 11.421 1.355 588 HE2 PHE 85 HE2 PHE 85 6.363 12.360 -2.523 589 HZ PHE 85 HZ PHE 85 7.886 12.849 -0.654 590 H PHE 86 HN PHE 86 5.554 6.056 0.400 591 HA PHE 86 HA PHE 86 8.305 6.700 0.058 592 1HB PHE 86 HB2 PHE 86 7.195 5.970 2.203 593 2HB PHE 86 HB1 PHE 86 7.176 4.330 1.547 594 HD1 PHE 86 HD1 PHE 86 9.113 2.984 1.566 595 HD2 PHE 86 HD2 PHE 86 9.361 7.090 2.651 596 HE1 PHE 86 HE1 PHE 86 11.384 2.621 2.417 597 HE2 PHE 86 HE2 PHE 86 11.642 6.731 3.503 598 HZ PHE 86 HZ PHE 86 12.655 4.492 3.384 599 H LEU 87 HN LEU 87 6.364 3.844 -0.833 600 HA LEU 87 HA LEU 87 8.614 2.371 -1.744 601 1HB LEU 87 HB2 LEU 87 7.184 0.672 -2.180 602 2HB LEU 87 HB1 LEU 87 6.130 1.607 -1.142 603 HG LEU 87 HG LEU 87 5.362 2.628 -3.490 604 1HD1 LEU 87 HD11 LEU 87 5.303 0.887 -5.204 605 2HD1 LEU 87 HD12 LEU 87 6.275 -0.167 -4.178 606 3HD1 LEU 87 HD13 LEU 87 6.964 1.328 -4.808 607 1HD2 LEU 87 HD21 LEU 87 3.537 1.001 -3.478 608 2HD2 LEU 87 HD22 LEU 87 3.921 1.546 -1.844 609 3HD2 LEU 87 HD23 LEU 87 4.466 -0.037 -2.397 610 H TYR 88 HN TYR 88 6.418 4.624 -3.235 611 HA TYR 88 HA TYR 88 7.401 4.291 -5.894 612 1HB TYR 88 HB2 TYR 88 5.754 6.437 -4.561 613 2HB TYR 88 HB1 TYR 88 6.282 6.579 -6.237 614 HD1 TYR 88 HD1 TYR 88 5.981 3.305 -6.280 615 HD2 TYR 88 HD2 TYR 88 3.441 6.642 -5.583 616 HE1 TYR 88 HE1 TYR 88 4.046 1.972 -6.995 617 HE2 TYR 88 HE2 TYR 88 1.497 5.322 -6.300 618 HH TYR 88 HH TYR 88 0.991 3.376 -7.642 619 H LEU 89 HN LEU 89 8.349 6.322 -3.167 620 HA LEU 89 HA LEU 89 10.019 8.132 -4.434 621 1HB LEU 89 HB2 LEU 89 10.547 6.644 -1.852 622 2HB LEU 89 HB1 LEU 89 11.430 8.060 -2.386 623 HG LEU 89 HG LEU 89 8.478 8.004 -1.758 624 1HD1 LEU 89 HD11 LEU 89 9.091 9.266 0.242 625 2HD1 LEU 89 HD12 LEU 89 10.798 9.076 -0.156 626 3HD1 LEU 89 HD13 LEU 89 9.823 7.662 0.243 627 1HD2 LEU 89 HD21 LEU 89 8.641 10.430 -1.893 628 2HD2 LEU 89 HD22 LEU 89 9.126 9.692 -3.421 629 3HD2 LEU 89 HD23 LEU 89 10.349 10.308 -2.311 630 H LEU 90 HN LEU 90 10.777 4.856 -3.323 631 HA LEU 90 HA LEU 90 13.261 4.691 -4.677 632 1HB LEU 90 HB2 LEU 90 11.398 2.652 -3.509 633 2HB LEU 90 HB1 LEU 90 12.798 2.154 -4.435 634 HG LEU 90 HG LEU 90 13.323 2.061 -2.086 635 1HD1 LEU 90 HD11 LEU 90 14.654 4.416 -3.411 636 2HD1 LEU 90 HD12 LEU 90 15.125 2.723 -3.557 637 3HD1 LEU 90 HD13 LEU 90 15.271 3.548 -2.006 638 1HD2 LEU 90 HD21 LEU 90 11.685 3.639 -1.237 639 2HD2 LEU 90 HD22 LEU 90 12.563 4.977 -1.980 640 3HD2 LEU 90 HD23 LEU 90 13.301 4.058 -0.667 641 H GLN 91 HN GLN 91 9.945 3.807 -5.621 642 HA GLN 91 HA GLN 91 10.878 2.244 -7.826 643 1HB GLN 91 HB2 GLN 91 8.717 2.047 -6.301 644 2HB GLN 91 HB1 GLN 91 8.019 2.966 -7.617 645 1HG GLN 91 HG2 GLN 91 9.559 0.505 -8.218 646 2HG GLN 91 HG1 GLN 91 7.898 0.399 -7.637 647 1HE2 GLN 91 HE21 GLN 91 9.949 1.189 -10.279 648 2HE2 GLN 91 HE22 GLN 91 8.695 1.520 -11.427 649 H GLN 92 HN GLN 92 9.047 5.305 -7.648 650 HA GLN 92 HA GLN 92 9.994 6.751 -9.684 651 1HB GLN 92 HB2 GLN 92 8.335 6.256 -11.614 652 2HB GLN 92 HB1 GLN 92 9.736 5.193 -11.438 653 1HG GLN 92 HG2 GLN 92 8.201 3.638 -10.146 654 2HG GLN 92 HG1 GLN 92 6.877 4.652 -10.712 655 1HE2 GLN 92 HE21 GLN 92 6.123 2.712 -11.705 656 2HE2 GLN 92 HE22 GLN 92 6.727 2.246 -13.259 657 H LEU 93 HN LEU 93 9.167 8.378 -8.410 658 HA LEU 93 HA LEU 93 6.470 8.642 -7.635 659 1HB LEU 93 HB2 LEU 93 8.533 10.782 -8.194 660 2HB LEU 93 HB1 LEU 93 6.961 11.100 -7.498 661 HG LEU 93 HG LEU 93 8.458 11.117 -5.697 662 1HD1 LEU 93 HD11 LEU 93 6.418 9.853 -5.262 663 2HD1 LEU 93 HD12 LEU 93 7.776 9.243 -4.317 664 3HD1 LEU 93 HD13 LEU 93 7.236 8.368 -5.748 665 1HD2 LEU 93 HD21 LEU 93 9.595 8.509 -6.683 666 2HD2 LEU 93 HD22 LEU 93 10.105 9.398 -5.248 667 3HD2 LEU 93 HD23 LEU 93 10.358 10.090 -6.849 668 H ALA 94 HN ALA 94 8.256 9.640 -10.480 669 HA ALA 94 HA ALA 94 6.202 11.229 -11.606 670 1HB ALA 94 HB1 ALA 94 8.731 11.195 -12.083 671 2HB ALA 94 HB2 ALA 94 7.621 11.501 -13.420 672 3HB ALA 94 HB3 ALA 94 8.341 9.904 -13.220 673 H ASP 95 HN ASP 95 7.261 7.883 -12.267 674 HA ASP 95 HA ASP 95 5.244 7.620 -14.290 675 1HB ASP 95 HB2 ASP 95 7.504 6.516 -14.422 676 2HB ASP 95 HB1 ASP 95 6.931 5.387 -13.198 677 H ALA 96 HN ALA 96 5.776 6.215 -11.078 678 HA ALA 96 HA ALA 96 3.415 4.577 -11.321 679 1HB ALA 96 HB1 ALA 96 3.992 3.734 -9.130 680 2HB ALA 96 HB2 ALA 96 5.236 4.973 -8.966 681 3HB ALA 96 HB3 ALA 96 5.392 3.726 -10.201 682 H TYR 97 HN TYR 97 4.328 7.425 -9.359 683 HA TYR 97 HA TYR 97 2.005 7.194 -7.709 684 1HB TYR 97 HB2 TYR 97 4.318 8.321 -7.215 685 2HB TYR 97 HB1 TYR 97 3.582 9.738 -7.956 686 HD1 TYR 97 HD1 TYR 97 4.473 8.677 -4.962 687 HD2 TYR 97 HD2 TYR 97 0.856 9.730 -6.939 688 HE1 TYR 97 HE1 TYR 97 3.455 9.226 -2.797 689 HE2 TYR 97 HE2 TYR 97 -0.168 10.290 -4.775 690 HH TYR 97 HH TYR 97 0.280 9.459 -2.273 691 H VAL 98 HN VAL 98 2.920 9.469 -10.301 692 HA VAL 98 HA VAL 98 0.536 10.980 -10.179 693 HB VAL 98 HB VAL 98 2.328 10.632 -12.586 694 1HG1 VAL 98 HG11 VAL 98 0.236 11.730 -13.115 695 2HG1 VAL 98 HG12 VAL 98 1.554 12.901 -13.157 696 3HG1 VAL 98 HG13 VAL 98 0.458 12.856 -11.776 697 1HG2 VAL 98 HG21 VAL 98 3.651 11.238 -10.628 698 2HG2 VAL 98 HG22 VAL 98 2.572 12.594 -10.306 699 3HG2 VAL 98 HG23 VAL 98 3.558 12.580 -11.767 700 H ASP 99 HN ASP 99 1.413 8.083 -11.938 701 HA ASP 99 HA ASP 99 -0.838 8.131 -13.707 702 1HB ASP 99 HB2 ASP 99 1.529 6.920 -13.881 703 2HB ASP 99 HB1 ASP 99 0.616 5.587 -13.186 704 H LEU 100 HN LEU 100 -0.552 7.383 -10.467 705 HA LEU 100 HA LEU 100 -1.854 4.946 -10.156 706 1HB LEU 100 HB2 LEU 100 -0.569 6.171 -8.417 707 2HB LEU 100 HB1 LEU 100 -1.924 7.268 -8.238 708 HG LEU 100 HG LEU 100 -3.288 5.113 -7.739 709 1HD1 LEU 100 HD11 LEU 100 -0.496 4.170 -7.130 710 2HD1 LEU 100 HD12 LEU 100 -1.559 3.531 -8.383 711 3HD1 LEU 100 HD13 LEU 100 -1.989 3.346 -6.683 712 1HD2 LEU 100 HD21 LEU 100 -3.006 6.789 -6.091 713 2HD2 LEU 100 HD22 LEU 100 -1.312 6.362 -5.845 714 3HD2 LEU 100 HD23 LEU 100 -2.586 5.252 -5.336 715 H ARG 101 HN ARG 101 -3.294 8.018 -10.941 716 HA ARG 101 HA ARG 101 -5.773 7.659 -9.644 717 1HB ARG 101 HB2 ARG 101 -5.158 9.294 -12.111 718 2HB ARG 101 HB1 ARG 101 -6.640 9.400 -11.172 719 1HG ARG 101 HG2 ARG 101 -5.328 10.107 -9.218 720 2HG ARG 101 HG1 ARG 101 -3.865 10.052 -10.204 721 1HD ARG 101 HD2 ARG 101 -6.267 11.817 -10.666 722 2HD ARG 101 HD1 ARG 101 -4.705 12.330 -10.029 723 HE ARG 101 HE ARG 101 -4.994 11.206 -12.748 724 1HH1 ARG 101 HH11 ARG 101 -3.840 13.692 -10.570 725 2HH1 ARG 101 HH12 ARG 101 -2.996 14.572 -11.807 726 1HH2 ARG 101 HH21 ARG 101 -3.902 12.329 -14.367 727 2HH2 ARG 101 HH22 ARG 101 -3.014 13.773 -13.988 728 HA PRO 102 HA PRO 102 -7.432 5.717 -13.815 729 1HB PRO 102 HB2 PRO 102 -4.849 4.901 -15.032 730 2HB PRO 102 HB1 PRO 102 -6.322 5.495 -15.807 731 1HG PRO 102 HG2 PRO 102 -4.185 7.061 -15.591 732 2HG PRO 102 HG1 PRO 102 -5.818 7.717 -15.361 733 1HD PRO 102 HD2 PRO 102 -3.758 6.989 -13.316 734 2HD PRO 102 HD1 PRO 102 -4.859 8.382 -13.359 735 H TRP 103 HN TRP 103 -4.585 4.643 -12.064 736 HA TRP 103 HA TRP 103 -4.825 1.877 -12.527 737 1HB TRP 103 HB2 TRP 103 -3.646 3.361 -10.172 738 2HB TRP 103 HB1 TRP 103 -3.526 1.619 -10.389 739 HD1 TRP 103 HD1 TRP 103 -3.164 3.472 -13.615 740 HE1 TRP 103 HE1 TRP 103 -0.689 3.561 -14.318 741 HE3 TRP 103 HE3 TRP 103 -1.024 1.788 -9.278 742 HZ2 TRP 103 HZ2 TRP 103 1.826 2.977 -13.193 743 HZ3 TRP 103 HZ3 TRP 103 1.427 1.583 -9.181 744 HH2 TRP 103 HH2 TRP 103 2.825 2.166 -11.099 745 H LEU 104 HN LEU 104 -6.096 3.898 -9.868 746 HA LEU 104 HA LEU 104 -7.459 1.756 -8.617 747 1HB LEU 104 HB2 LEU 104 -8.638 3.400 -7.312 748 2HB LEU 104 HB1 LEU 104 -6.950 3.834 -7.425 749 HG LEU 104 HG LEU 104 -7.874 5.338 -9.439 750 1HD1 LEU 104 HD11 LEU 104 -10.183 4.624 -9.216 751 2HD1 LEU 104 HD12 LEU 104 -10.025 6.332 -8.805 752 3HD1 LEU 104 HD13 LEU 104 -10.196 5.129 -7.527 753 1HD2 LEU 104 HD21 LEU 104 -7.940 7.201 -7.859 754 2HD2 LEU 104 HD22 LEU 104 -6.582 6.126 -7.533 755 3HD2 LEU 104 HD23 LEU 104 -8.020 6.062 -6.516 756 H LEU 105 HN LEU 105 -8.314 3.927 -11.222 757 HA LEU 105 HA LEU 105 -11.080 3.383 -11.313 758 1HB LEU 105 HB2 LEU 105 -9.168 4.208 -13.498 759 2HB LEU 105 HB1 LEU 105 -10.908 4.133 -13.697 760 HG LEU 105 HG LEU 105 -9.456 5.932 -11.754 761 1HD1 LEU 105 HD11 LEU 105 -10.138 7.741 -13.243 762 2HD1 LEU 105 HD12 LEU 105 -10.826 6.564 -14.363 763 3HD1 LEU 105 HD13 LEU 105 -9.087 6.592 -14.071 764 1HD2 LEU 105 HD21 LEU 105 -11.646 6.968 -11.436 765 2HD2 LEU 105 HD22 LEU 105 -11.667 5.267 -10.967 766 3HD2 LEU 105 HD23 LEU 105 -12.370 5.767 -12.505 767 H GLU 106 HN GLU 106 -8.285 1.696 -12.543 768 HA GLU 106 HA GLU 106 -9.546 -0.070 -14.323 769 1HB GLU 106 HB2 GLU 106 -7.090 -0.512 -12.616 770 2HB GLU 106 HB1 GLU 106 -7.580 -1.532 -13.960 771 1HG GLU 106 HG2 GLU 106 -7.276 0.309 -15.502 772 2HG GLU 106 HG1 GLU 106 -6.852 1.378 -14.162 773 H ILE 107 HN ILE 107 -9.018 -0.253 -10.830 774 HA ILE 107 HA ILE 107 -10.192 -2.936 -10.845 775 HB ILE 107 HB ILE 107 -9.144 -3.344 -8.744 776 1HG1 ILE 107 HG12 ILE 107 -7.551 -1.274 -8.000 777 2HG1 ILE 107 HG11 ILE 107 -8.938 -0.390 -8.628 778 1HG2 ILE 107 HG21 ILE 107 -7.109 -1.803 -10.337 779 2HG2 ILE 107 HG22 ILE 107 -7.761 -3.359 -10.855 780 3HG2 ILE 107 HG23 ILE 107 -6.861 -3.240 -9.343 781 1HD1 ILE 107 HD11 ILE 107 -9.134 -0.738 -6.239 782 2HD1 ILE 107 HD12 ILE 107 -9.002 -2.481 -6.466 783 3HD1 ILE 107 HD13 ILE 107 -10.401 -1.614 -7.099 784 H GLY 108 HN GLY 108 -10.856 0.288 -9.909 785 1HA GLY 108 HA2 GLY 108 -12.785 1.221 -9.063 786 2HA GLY 108 HA1 GLY 108 -13.507 -0.384 -9.063 787 H PHE 109 HN PHE 109 -14.038 -1.112 -7.146 788 HA PHE 109 HA PHE 109 -12.215 -0.640 -4.898 789 1HB PHE 109 HB2 PHE 109 -15.209 -0.245 -4.892 790 2HB PHE 109 HB1 PHE 109 -14.294 -0.519 -3.413 791 HD1 PHE 109 HD1 PHE 109 -12.510 1.129 -2.768 792 HD2 PHE 109 HD2 PHE 109 -15.290 1.872 -5.904 793 HE1 PHE 109 HE1 PHE 109 -12.013 3.535 -2.635 794 HE2 PHE 109 HE2 PHE 109 -14.796 4.279 -5.776 795 HZ PHE 109 HZ PHE 109 -13.126 5.107 -4.142 796 H SER 110 HN SER 110 -12.091 -2.818 -6.437 797 HA SER 110 HA SER 110 -13.356 -4.912 -4.803 798 1HB SER 110 HB2 SER 110 -12.502 -5.154 -7.700 799 2HB SER 110 HB1 SER 110 -13.403 -6.340 -6.754 800 HG SER 110 HG SER 110 -14.276 -3.766 -7.576 Start of MODEL 7 1 1H GLY 12 HT1 GLY 12 -4.105 7.794 1.447 2 2H GLY 12 HT2 GLY 12 -2.852 8.511 0.551 3 3H GLY 12 HT3 GLY 12 -4.400 9.193 0.537 4 1HA GLY 12 HA1 GLY 12 -2.548 9.054 2.847 5 2HA GLY 12 HA2 GLY 12 -2.981 10.497 1.942 6 H ALA 13 HN ALA 13 -5.668 10.334 1.697 7 HA ALA 13 HA ALA 13 -6.992 9.621 4.112 8 1HB ALA 13 HB1 ALA 13 -5.820 11.582 4.963 9 2HB ALA 13 HB2 ALA 13 -7.557 11.879 4.879 10 3HB ALA 13 HB3 ALA 13 -6.485 12.561 3.654 11 H MET 14 HN MET 14 -9.227 9.800 3.924 12 HA MET 14 HA MET 14 -10.588 11.125 1.821 13 1HB MET 14 HB2 MET 14 -9.266 9.281 0.611 14 2HB MET 14 HB1 MET 14 -10.314 8.139 1.434 15 1HG MET 14 HG2 MET 14 -11.213 8.419 -0.712 16 2HG MET 14 HG1 MET 14 -12.261 9.335 0.369 17 1HE MET 14 HE1 MET 14 -13.255 10.558 -1.845 18 2HE MET 14 HE2 MET 14 -12.133 9.627 -2.839 19 3HE MET 14 HE3 MET 14 -12.229 11.378 -3.023 20 H GLU 15 HN GLU 15 -12.902 10.571 1.853 21 HA GLU 15 HA GLU 15 -13.812 9.711 4.447 22 1HB GLU 15 HB2 GLU 15 -15.279 10.486 1.923 23 2HB GLU 15 HB1 GLU 15 -16.092 10.049 3.417 24 1HG GLU 15 HG2 GLU 15 -14.154 12.332 3.132 25 2HG GLU 15 HG1 GLU 15 -15.910 12.484 3.067 26 H SER 16 HN SER 16 -12.648 7.997 2.026 27 HA SER 16 HA SER 16 -14.173 5.612 2.701 28 1HB SER 16 HB2 SER 16 -14.196 5.024 0.216 29 2HB SER 16 HB1 SER 16 -15.311 6.298 0.710 30 HG SER 16 HG SER 16 -13.928 6.665 -1.236 31 H HIS 17 HN HIS 17 -12.991 3.658 1.596 32 HA HIS 17 HA HIS 17 -10.133 3.962 2.115 33 1HB HIS 17 HB2 HIS 17 -11.790 1.499 1.525 34 2HB HIS 17 HB1 HIS 17 -10.080 1.492 1.933 35 HD1 HIS 17 HD1 HIS 17 -10.467 3.688 4.286 36 HD2 HIS 17 HD2 HIS 17 -12.523 0.100 3.802 37 HE1 HIS 17 HE1 HIS 17 -11.280 3.053 6.577 38 HE2 HIS 17 HE2 HIS 17 -12.378 0.809 6.287 39 HA PRO 18 HA PRO 18 -10.030 4.168 -2.411 40 1HB PRO 18 HB2 PRO 18 -8.289 6.231 -2.596 41 2HB PRO 18 HB1 PRO 18 -9.998 6.444 -2.215 42 1HG PRO 18 HG2 PRO 18 -7.667 6.795 -0.492 43 2HG PRO 18 HG1 PRO 18 -9.334 7.328 -0.235 44 1HD PRO 18 HD2 PRO 18 -7.972 4.976 0.825 45 2HD PRO 18 HD1 PRO 18 -9.547 5.656 1.282 46 H HIS 19 HN HIS 19 -6.835 5.024 -1.036 47 HA HIS 19 HA HIS 19 -5.553 3.758 -3.260 48 1HB HIS 19 HB2 HIS 19 -4.371 4.997 -0.762 49 2HB HIS 19 HB1 HIS 19 -3.432 4.435 -2.140 50 HD1 HIS 19 HD1 HIS 19 -2.478 6.689 -2.809 51 HD2 HIS 19 HD2 HIS 19 -6.639 6.684 -2.559 52 HE1 HIS 19 HE1 HIS 19 -3.230 8.881 -3.790 53 HE2 HIS 19 HE2 HIS 19 -5.729 8.932 -3.472 54 H ILE 20 HN ILE 20 -5.941 3.064 0.160 55 HA ILE 20 HA ILE 20 -4.255 0.856 0.371 56 HB ILE 20 HB ILE 20 -5.753 0.113 2.229 57 1HG1 ILE 20 HG12 ILE 20 -7.372 2.523 1.369 58 2HG1 ILE 20 HG11 ILE 20 -7.903 0.844 1.355 59 1HG2 ILE 20 HG21 ILE 20 -5.324 2.072 3.642 60 2HG2 ILE 20 HG22 ILE 20 -4.959 3.015 2.198 61 3HG2 ILE 20 HG23 ILE 20 -3.936 1.647 2.641 62 1HD1 ILE 20 HD11 ILE 20 -7.210 2.448 3.803 63 2HD1 ILE 20 HD12 ILE 20 -7.759 0.772 3.785 64 3HD1 ILE 20 HD13 ILE 20 -8.835 2.059 3.240 65 H GLN 21 HN GLN 21 -7.556 1.057 -0.832 66 HA GLN 21 HA GLN 21 -8.080 -1.729 -0.770 67 1HB GLN 21 HB2 GLN 21 -9.533 0.605 -1.230 68 2HB GLN 21 HB1 GLN 21 -9.604 -0.261 -2.756 69 1HG GLN 21 HG2 GLN 21 -11.482 -0.970 -1.598 70 2HG GLN 21 HG1 GLN 21 -10.327 -2.281 -1.399 71 1HE2 GLN 21 HE21 GLN 21 -8.761 -0.977 0.694 72 2HE2 GLN 21 HE22 GLN 21 -9.754 -0.969 2.102 73 H LEU 22 HN LEU 22 -7.157 0.508 -3.378 74 HA LEU 22 HA LEU 22 -7.245 -1.338 -5.457 75 1HB LEU 22 HB2 LEU 22 -6.361 0.336 -6.776 76 2HB LEU 22 HB1 LEU 22 -7.090 1.233 -5.457 77 HG LEU 22 HG LEU 22 -4.569 0.963 -4.511 78 1HD1 LEU 22 HD11 LEU 22 -3.795 -0.157 -6.540 79 2HD1 LEU 22 HD12 LEU 22 -3.004 1.402 -6.314 80 3HD1 LEU 22 HD13 LEU 22 -4.299 1.235 -7.499 81 1HD2 LEU 22 HD21 LEU 22 -5.559 3.115 -6.368 82 2HD2 LEU 22 HD22 LEU 22 -4.232 3.263 -5.217 83 3HD2 LEU 22 HD23 LEU 22 -5.877 3.013 -4.635 84 H LEU 23 HN LEU 23 -4.782 -0.715 -3.079 85 HA LEU 23 HA LEU 23 -2.477 -1.430 -4.456 86 1HB LEU 23 HB2 LEU 23 -3.311 -1.157 -1.654 87 2HB LEU 23 HB1 LEU 23 -1.941 -2.221 -1.899 88 HG LEU 23 HG LEU 23 -1.653 0.367 -1.415 89 1HD1 LEU 23 HD11 LEU 23 0.155 -1.239 -1.632 90 2HD1 LEU 23 HD12 LEU 23 0.536 0.252 -2.495 91 3HD1 LEU 23 HD13 LEU 23 0.017 -1.178 -3.388 92 1HD2 LEU 23 HD21 LEU 23 -2.923 1.137 -3.342 93 2HD2 LEU 23 HD22 LEU 23 -1.840 0.258 -4.422 94 3HD2 LEU 23 HD23 LEU 23 -1.232 1.617 -3.476 95 H LYS 24 HN LYS 24 -4.721 -3.473 -2.625 96 HA LYS 24 HA LYS 24 -3.074 -5.774 -2.724 97 1HB LYS 24 HB2 LYS 24 -4.785 -6.925 -1.655 98 2HB LYS 24 HB1 LYS 24 -4.989 -5.268 -1.097 99 1HG LYS 24 HG2 LYS 24 -7.161 -5.843 -1.541 100 2HG LYS 24 HG1 LYS 24 -6.701 -5.142 -3.094 101 1HD LYS 24 HD2 LYS 24 -6.122 -7.471 -3.854 102 2HD LYS 24 HD1 LYS 24 -6.853 -8.067 -2.365 103 1HE LYS 24 HE2 LYS 24 -8.285 -6.363 -4.394 104 2HE LYS 24 HE1 LYS 24 -8.347 -8.123 -4.364 105 1HZ LYS 24 HZ1 LYS 24 -9.278 -7.983 -2.113 106 2HZ LYS 24 HZ2 LYS 24 -10.258 -7.222 -3.268 107 3HZ LYS 24 HZ3 LYS 24 -9.297 -6.290 -2.232 108 H SER 25 HN SER 25 -5.458 -4.464 -4.931 109 HA SER 25 HA SER 25 -5.997 -6.913 -6.276 110 1HB SER 25 HB2 SER 25 -7.490 -4.885 -6.287 111 2HB SER 25 HB1 SER 25 -6.344 -4.124 -7.388 112 HG SER 25 HG SER 25 -7.527 -5.070 -8.856 113 H ASN 26 HN ASN 26 -3.839 -4.186 -6.940 114 HA ASN 26 HA ASN 26 -2.590 -5.761 -9.077 115 1HB ASN 26 HB2 ASN 26 -1.362 -3.534 -9.516 116 2HB ASN 26 HB1 ASN 26 -3.060 -3.645 -9.952 117 1HD2 ASN 26 HD21 ASN 26 -1.780 -3.201 -6.680 118 2HD2 ASN 26 HD22 ASN 26 -2.450 -1.625 -6.457 119 H ARG 27 HN ARG 27 -2.253 -6.553 -6.482 120 HA ARG 27 HA ARG 27 -0.050 -5.627 -5.097 121 1HB ARG 27 HB2 ARG 27 0.056 -7.954 -4.149 122 2HB ARG 27 HB1 ARG 27 -1.497 -7.149 -4.010 123 1HG ARG 27 HG2 ARG 27 -2.255 -8.446 -6.004 124 2HG ARG 27 HG1 ARG 27 -0.723 -9.318 -5.949 125 1HD ARG 27 HD2 ARG 27 -2.026 -9.253 -3.360 126 2HD ARG 27 HD1 ARG 27 -3.063 -9.958 -4.601 127 HE ARG 27 HE ARG 27 -0.400 -11.008 -4.668 128 1HH1 ARG 27 HH11 ARG 27 -3.448 -11.237 -2.964 129 2HH1 ARG 27 HH12 ARG 27 -3.300 -12.949 -2.678 130 1HH2 ARG 27 HH21 ARG 27 -0.182 -13.249 -4.277 131 2HH2 ARG 27 HH22 ARG 27 -1.429 -14.092 -3.391 132 H GLU 28 HN GLU 28 -0.133 -8.138 -7.600 133 HA GLU 28 HA GLU 28 2.603 -8.800 -7.319 134 1HB GLU 28 HB2 GLU 28 2.141 -9.730 -9.789 135 2HB GLU 28 HB1 GLU 28 1.665 -10.577 -8.332 136 1HG GLU 28 HG2 GLU 28 -0.075 -10.591 -10.037 137 2HG GLU 28 HG1 GLU 28 -0.608 -9.790 -8.567 138 H LEU 29 HN LEU 29 0.914 -6.501 -9.361 139 HA LEU 29 HA LEU 29 3.137 -5.863 -11.003 140 1HB LEU 29 HB2 LEU 29 0.863 -5.254 -11.636 141 2HB LEU 29 HB1 LEU 29 0.737 -4.194 -10.245 142 HG LEU 29 HG LEU 29 2.567 -2.799 -11.204 143 1HD1 LEU 29 HD11 LEU 29 3.642 -4.472 -12.588 144 2HD1 LEU 29 HD12 LEU 29 3.137 -3.095 -13.568 145 3HD1 LEU 29 HD13 LEU 29 2.201 -4.590 -13.597 146 1HD2 LEU 29 HD21 LEU 29 1.180 -1.767 -12.941 147 2HD2 LEU 29 HD22 LEU 29 0.242 -2.171 -11.504 148 3HD2 LEU 29 HD23 LEU 29 0.135 -3.189 -12.939 149 H LEU 30 HN LEU 30 1.847 -4.385 -8.047 150 HA LEU 30 HA LEU 30 3.830 -2.354 -7.978 151 1HB LEU 30 HB2 LEU 30 1.760 -3.298 -6.052 152 2HB LEU 30 HB1 LEU 30 3.015 -2.196 -5.513 153 HG LEU 30 HG LEU 30 2.303 -0.503 -7.100 154 1HD1 LEU 30 HD11 LEU 30 0.245 -2.504 -8.027 155 2HD1 LEU 30 HD12 LEU 30 1.630 -1.928 -8.957 156 3HD1 LEU 30 HD13 LEU 30 0.336 -0.813 -8.515 157 1HD2 LEU 30 HD21 LEU 30 1.159 -0.597 -4.953 158 2HD2 LEU 30 HD22 LEU 30 -0.041 -1.697 -5.631 159 3HD2 LEU 30 HD23 LEU 30 0.074 -0.042 -6.228 160 H VAL 31 HN VAL 31 3.713 -5.605 -6.626 161 HA VAL 31 HA VAL 31 5.836 -5.169 -4.785 162 HB VAL 31 HB VAL 31 4.257 -7.065 -4.543 163 1HG1 VAL 31 HG11 VAL 31 4.116 -7.756 -6.881 164 2HG1 VAL 31 HG12 VAL 31 4.558 -9.101 -5.831 165 3HG1 VAL 31 HG13 VAL 31 5.789 -8.312 -6.816 166 1HG2 VAL 31 HG21 VAL 31 7.154 -7.870 -4.720 167 2HG2 VAL 31 HG22 VAL 31 5.904 -8.709 -3.803 168 3HG2 VAL 31 HG23 VAL 31 6.380 -7.072 -3.352 169 H THR 32 HN THR 32 5.767 -6.391 -8.126 170 HA THR 32 HA THR 32 8.558 -6.905 -8.218 171 HB THR 32 HB THR 32 7.074 -8.012 -9.808 172 HG1 THR 32 HG1 THR 32 9.265 -6.496 -10.575 173 1HG2 THR 32 HG21 THR 32 5.460 -6.211 -10.188 174 2HG2 THR 32 HG22 THR 32 6.119 -6.808 -11.711 175 3HG2 THR 32 HG23 THR 32 6.696 -5.282 -11.041 176 H HIS 33 HN HIS 33 6.615 -4.068 -8.668 177 HA HIS 33 HA HIS 33 8.040 -2.321 -10.148 178 1HB HIS 33 HB2 HIS 33 6.496 -1.989 -7.618 179 2HB HIS 33 HB1 HIS 33 7.478 -0.620 -8.158 180 HD1 HIS 33 HD1 HIS 33 4.357 -0.549 -8.078 181 HD2 HIS 33 HD2 HIS 33 6.648 -1.377 -11.440 182 HE1 HIS 33 HE1 HIS 33 2.920 0.068 -10.040 183 HE2 HIS 33 HE2 HIS 33 4.436 -0.173 -12.036 184 H ILE 34 HN ILE 34 8.638 -2.530 -6.637 185 HA ILE 34 HA ILE 34 11.468 -2.128 -7.240 186 HB ILE 34 HB ILE 34 10.559 0.040 -6.579 187 1HG1 ILE 34 HG12 ILE 34 12.895 -0.768 -5.875 188 2HG1 ILE 34 HG11 ILE 34 12.254 0.683 -5.118 189 1HG2 ILE 34 HG21 ILE 34 8.688 -0.573 -5.238 190 2HG2 ILE 34 HG22 ILE 34 9.763 0.448 -4.282 191 3HG2 ILE 34 HG23 ILE 34 9.739 -1.296 -4.019 192 1HD1 ILE 34 HD11 ILE 34 12.340 -2.072 -3.906 193 2HD1 ILE 34 HD12 ILE 34 11.656 -0.638 -3.141 194 3HD1 ILE 34 HD13 ILE 34 13.381 -0.708 -3.500 195 H ARG 35 HN ARG 35 9.286 -2.821 -4.497 196 HA ARG 35 HA ARG 35 10.356 -5.419 -4.073 197 1HB ARG 35 HB2 ARG 35 11.329 -3.199 -2.306 198 2HB ARG 35 HB1 ARG 35 11.058 -4.790 -1.617 199 1HG ARG 35 HG2 ARG 35 12.934 -4.109 -3.869 200 2HG ARG 35 HG1 ARG 35 13.377 -4.534 -2.214 201 1HD ARG 35 HD2 ARG 35 12.833 -6.757 -2.499 202 2HD ARG 35 HD1 ARG 35 11.703 -6.419 -3.810 203 HE ARG 35 HE ARG 35 14.576 -6.010 -4.256 204 1HH1 ARG 35 HH11 ARG 35 11.646 -7.825 -4.895 205 2HH1 ARG 35 HH12 ARG 35 12.247 -8.530 -6.365 206 1HH2 ARG 35 HH21 ARG 35 15.396 -6.981 -6.145 207 2HH2 ARG 35 HH22 ARG 35 14.404 -8.086 -7.053 208 H ASN 36 HN ASN 36 8.399 -2.737 -3.134 209 HA ASN 36 HA ASN 36 6.316 -2.584 -2.266 210 1HB ASN 36 HB2 ASN 36 5.586 -4.558 -3.391 211 2HB ASN 36 HB1 ASN 36 6.444 -5.601 -2.265 212 1HD2 ASN 36 HD21 ASN 36 3.672 -3.524 -2.703 213 2HD2 ASN 36 HD22 ASN 36 2.781 -4.102 -1.345 214 H THR 37 HN THR 37 8.720 -4.519 -0.639 215 HA THR 37 HA THR 37 7.675 -4.503 1.958 216 HB THR 37 HB THR 37 10.106 -4.700 2.657 217 HG1 THR 37 HG1 THR 37 11.649 -4.744 1.090 218 1HG2 THR 37 HG21 THR 37 10.373 -6.941 1.664 219 2HG2 THR 37 HG22 THR 37 9.077 -6.577 0.524 220 3HG2 THR 37 HG23 THR 37 8.732 -6.670 2.250 221 H GLN 38 HN GLN 38 9.182 -2.012 0.087 222 HA GLN 38 HA GLN 38 9.995 -0.300 2.156 223 1HB GLN 38 HB2 GLN 38 9.045 0.413 -0.623 224 2HB GLN 38 HB1 GLN 38 9.943 1.472 0.454 225 1HG GLN 38 HG2 GLN 38 10.996 -1.173 -0.501 226 2HG GLN 38 HG1 GLN 38 11.284 0.344 -1.346 227 1HE2 GLN 38 HE21 GLN 38 11.167 0.161 2.151 228 2HE2 GLN 38 HE22 GLN 38 12.853 0.441 2.413 229 H CYS 39 HN CYS 39 6.866 -0.931 0.755 230 HA CYS 39 HA CYS 39 5.509 1.338 1.781 231 1HB CYS 39 HB2 CYS 39 4.349 -1.408 1.276 232 2HB CYS 39 HB1 CYS 39 3.490 0.126 1.266 233 HG CYS 39 HG CYS 39 4.353 1.002 -1.107 234 H LEU 40 HN LEU 40 5.950 -1.965 2.942 235 HA LEU 40 HA LEU 40 4.322 -1.571 5.229 236 1HB LEU 40 HB2 LEU 40 5.363 -3.832 5.896 237 2HB LEU 40 HB1 LEU 40 4.249 -3.727 4.541 238 HG LEU 40 HG LEU 40 6.637 -3.398 3.263 239 1HD1 LEU 40 HD11 LEU 40 7.903 -3.774 5.327 240 2HD1 LEU 40 HD12 LEU 40 8.184 -5.071 4.165 241 3HD1 LEU 40 HD13 LEU 40 7.113 -5.337 5.541 242 1HD2 LEU 40 HD21 LEU 40 4.846 -4.906 2.602 243 2HD2 LEU 40 HD22 LEU 40 5.247 -6.004 3.923 244 3HD2 LEU 40 HD23 LEU 40 6.394 -5.750 2.607 245 H VAL 41 HN VAL 41 7.823 -1.469 4.712 246 HA VAL 41 HA VAL 41 8.490 -1.464 7.449 247 HB VAL 41 HB VAL 41 10.607 -0.343 6.803 248 1HG1 VAL 41 HG11 VAL 41 11.411 -2.231 5.361 249 2HG1 VAL 41 HG12 VAL 41 9.738 -2.771 5.242 250 3HG1 VAL 41 HG13 VAL 41 10.542 -2.728 6.811 251 1HG2 VAL 41 HG21 VAL 41 9.617 0.952 4.886 252 2HG2 VAL 41 HG22 VAL 41 9.620 -0.552 3.962 253 3HG2 VAL 41 HG23 VAL 41 11.141 0.136 4.532 254 H ASP 42 HN ASP 42 7.893 1.274 5.215 255 HA ASP 42 HA ASP 42 8.270 3.231 7.228 256 1HB ASP 42 HB2 ASP 42 8.278 3.604 4.695 257 2HB ASP 42 HB1 ASP 42 6.519 3.645 4.811 258 H ASN 43 HN ASN 43 5.507 1.358 6.173 259 HA ASN 43 HA ASN 43 3.563 2.607 7.749 260 1HB ASN 43 HB2 ASN 43 3.347 0.887 5.816 261 2HB ASN 43 HB1 ASN 43 3.572 -0.332 7.066 262 1HD2 ASN 43 HD21 ASN 43 2.221 1.388 9.043 263 2HD2 ASN 43 HD22 ASN 43 0.554 1.256 8.670 264 H LEU 44 HN LEU 44 6.023 0.212 8.398 265 HA LEU 44 HA LEU 44 4.924 -0.668 10.884 266 1HB LEU 44 HB2 LEU 44 6.287 -2.233 9.785 267 2HB LEU 44 HB1 LEU 44 7.556 -1.075 9.499 268 HG LEU 44 HG LEU 44 7.941 -2.956 11.212 269 1HD1 LEU 44 HD11 LEU 44 9.525 -1.201 10.934 270 2HD1 LEU 44 HD12 LEU 44 9.301 -1.495 12.653 271 3HD1 LEU 44 HD13 LEU 44 8.547 -0.096 11.888 272 1HD2 LEU 44 HD21 LEU 44 6.366 -1.059 12.924 273 2HD2 LEU 44 HD22 LEU 44 7.308 -2.435 13.496 274 3HD2 LEU 44 HD23 LEU 44 5.891 -2.698 12.478 275 H LEU 45 HN LEU 45 7.627 1.521 10.009 276 HA LEU 45 HA LEU 45 8.238 2.139 12.688 277 1HB LEU 45 HB2 LEU 45 9.319 4.178 11.799 278 2HB LEU 45 HB1 LEU 45 9.807 2.707 10.986 279 HG LEU 45 HG LEU 45 8.049 3.344 9.216 280 1HD1 LEU 45 HD11 LEU 45 6.801 5.114 9.906 281 2HD1 LEU 45 HD12 LEU 45 8.129 6.000 9.127 282 3HD1 LEU 45 HD13 LEU 45 8.121 5.792 10.878 283 1HD2 LEU 45 HD21 LEU 45 10.407 3.328 8.818 284 2HD2 LEU 45 HD22 LEU 45 10.582 4.907 9.582 285 3HD2 LEU 45 HD23 LEU 45 9.688 4.752 8.070 286 H LYS 46 HN LYS 46 5.721 3.248 10.588 287 HA LYS 46 HA LYS 46 5.173 5.651 12.005 288 1HB LYS 46 HB2 LYS 46 4.449 4.625 9.556 289 2HB LYS 46 HB1 LYS 46 2.949 4.512 10.466 290 1HG LYS 46 HG2 LYS 46 2.862 6.591 9.400 291 2HG LYS 46 HG1 LYS 46 3.306 6.955 11.069 292 1HD LYS 46 HD2 LYS 46 4.670 8.276 9.572 293 2HD LYS 46 HD1 LYS 46 5.683 7.068 10.365 294 1HE LYS 46 HE2 LYS 46 5.549 5.647 8.384 295 2HE LYS 46 HE1 LYS 46 4.510 6.829 7.595 296 1HZ LYS 46 HZ1 LYS 46 7.309 7.331 8.444 297 2HZ LYS 46 HZ2 LYS 46 6.316 8.409 7.595 298 3HZ LYS 46 HZ3 LYS 46 6.832 6.962 6.864 299 H ASN 47 HN ASN 47 3.855 2.357 12.079 300 HA ASN 47 HA ASN 47 1.975 3.204 14.190 301 1HB ASN 47 HB2 ASN 47 1.910 0.895 12.267 302 2HB ASN 47 HB1 ASN 47 0.881 0.942 13.695 303 1HD2 ASN 47 HD21 ASN 47 -0.805 2.392 13.791 304 2HD2 ASN 47 HD22 ASN 47 -1.351 3.282 12.414 305 H ASP 48 HN ASP 48 4.777 1.429 13.664 306 HA ASP 48 HA ASP 48 6.178 0.274 14.982 307 1HB ASP 48 HB2 ASP 48 5.528 2.220 16.532 308 2HB ASP 48 HB1 ASP 48 4.545 1.039 17.388 309 H TYR 49 HN TYR 49 3.899 -1.181 13.873 310 HA TYR 49 HA TYR 49 4.412 -3.600 15.249 311 1HB TYR 49 HB2 TYR 49 1.967 -4.135 15.781 312 2HB TYR 49 HB1 TYR 49 2.834 -3.082 16.886 313 HD1 TYR 49 HD1 TYR 49 1.620 -1.338 17.720 314 HD2 TYR 49 HD2 TYR 49 0.769 -2.679 13.776 315 HE1 TYR 49 HE1 TYR 49 -0.151 0.355 17.532 316 HE2 TYR 49 HE2 TYR 49 -1.003 -0.988 13.578 317 HH TYR 49 HH TYR 49 -2.463 0.336 15.041 318 H PHE 50 HN PHE 50 4.232 -2.365 12.486 319 HA PHE 50 HA PHE 50 2.680 -4.553 11.237 320 1HB PHE 50 HB2 PHE 50 3.280 -1.755 10.256 321 2HB PHE 50 HB1 PHE 50 2.734 -3.039 9.177 322 HD1 PHE 50 HD1 PHE 50 1.511 -0.275 10.334 323 HD2 PHE 50 HD2 PHE 50 0.770 -4.429 10.891 324 HE1 PHE 50 HE1 PHE 50 -0.813 0.227 10.961 325 HE2 PHE 50 HE2 PHE 50 -1.558 -3.932 11.519 326 HZ PHE 50 HZ PHE 50 -2.376 -1.665 11.508 327 H SER 51 HN SER 51 5.309 -4.642 12.330 328 HA SER 51 HA SER 51 7.195 -4.738 10.201 329 1HB SER 51 HB2 SER 51 8.595 -5.912 12.005 330 2HB SER 51 HB1 SER 51 8.124 -4.239 12.300 331 HG SER 51 HG SER 51 6.295 -6.099 13.213 332 H ALA 52 HN ALA 52 8.593 -6.885 10.276 333 HA ALA 52 HA ALA 52 7.311 -8.691 8.669 334 1HB ALA 52 HB1 ALA 52 9.677 -9.265 10.439 335 2HB ALA 52 HB2 ALA 52 9.740 -8.442 8.881 336 3HB ALA 52 HB3 ALA 52 9.229 -10.128 8.967 337 H GLU 53 HN GLU 53 7.410 -8.787 12.229 338 HA GLU 53 HA GLU 53 6.751 -11.507 12.517 339 1HB GLU 53 HB2 GLU 53 7.481 -10.105 14.394 340 2HB GLU 53 HB1 GLU 53 5.986 -9.184 14.296 341 1HG GLU 53 HG2 GLU 53 4.742 -11.281 14.790 342 2HG GLU 53 HG1 GLU 53 6.295 -12.075 15.059 343 H ASP 54 HN ASP 54 4.547 -8.676 12.520 344 HA ASP 54 HA ASP 54 2.209 -10.331 12.399 345 1HB ASP 54 HB2 ASP 54 1.819 -8.210 13.346 346 2HB ASP 54 HB1 ASP 54 2.695 -7.377 12.066 347 H ALA 55 HN ALA 55 4.050 -8.420 10.131 348 HA ALA 55 HA ALA 55 2.376 -8.596 7.933 349 1HB ALA 55 HB1 ALA 55 4.114 -6.979 8.012 350 2HB ALA 55 HB2 ALA 55 4.458 -8.050 6.643 351 3HB ALA 55 HB3 ALA 55 5.352 -8.230 8.152 352 H GLU 56 HN GLU 56 5.177 -10.650 8.776 353 HA GLU 56 HA GLU 56 4.924 -12.140 6.356 354 1HB GLU 56 HB2 GLU 56 7.096 -11.761 7.498 355 2HB GLU 56 HB1 GLU 56 6.576 -12.860 8.769 356 1HG GLU 56 HG2 GLU 56 6.594 -14.711 7.328 357 2HG GLU 56 HG1 GLU 56 6.660 -13.693 5.889 358 H ILE 57 HN ILE 57 3.811 -12.670 9.689 359 HA ILE 57 HA ILE 57 3.118 -15.386 9.327 360 HB ILE 57 HB ILE 57 1.772 -13.340 11.101 361 1HG1 ILE 57 HG12 ILE 57 4.070 -13.557 11.720 362 2HG1 ILE 57 HG11 ILE 57 3.121 -14.462 12.889 363 1HG2 ILE 57 HG21 ILE 57 0.301 -15.229 10.716 364 2HG2 ILE 57 HG22 ILE 57 0.926 -15.269 12.365 365 3HG2 ILE 57 HG23 ILE 57 1.595 -16.349 11.143 366 1HD1 ILE 57 HD11 ILE 57 5.217 -15.560 12.175 367 2HD1 ILE 57 HD12 ILE 57 4.539 -15.714 10.553 368 3HD1 ILE 57 HD13 ILE 57 3.770 -16.536 11.915 369 H VAL 58 HN VAL 58 1.260 -12.406 8.822 370 HA VAL 58 HA VAL 58 -1.062 -13.718 7.827 371 HB VAL 58 HB VAL 58 -0.168 -10.858 7.415 372 1HG1 VAL 58 HG11 VAL 58 -2.541 -10.396 6.978 373 2HG1 VAL 58 HG12 VAL 58 -2.888 -12.123 7.080 374 3HG1 VAL 58 HG13 VAL 58 -1.856 -11.505 5.789 375 1HG2 VAL 58 HG21 VAL 58 -0.371 -11.423 9.771 376 2HG2 VAL 58 HG22 VAL 58 -1.990 -12.065 9.493 377 3HG2 VAL 58 HG23 VAL 58 -1.675 -10.343 9.278 378 H CYS 59 HN CYS 59 1.815 -12.349 6.310 379 HA CYS 59 HA CYS 59 0.888 -12.306 3.659 380 1HB CYS 59 HB2 CYS 59 3.048 -11.774 3.020 381 2HB CYS 59 HB1 CYS 59 3.026 -11.250 4.699 382 HG CYS 59 HG CYS 59 4.120 -13.959 5.379 383 H ALA 60 HN ALA 60 1.877 -14.924 5.629 384 HA ALA 60 HA ALA 60 3.093 -16.682 3.894 385 1HB ALA 60 HB1 ALA 60 1.170 -17.412 6.093 386 2HB ALA 60 HB2 ALA 60 2.876 -17.021 6.316 387 3HB ALA 60 HB3 ALA 60 2.411 -18.450 5.391 388 H CYS 61 HN CYS 61 -0.168 -15.610 3.724 389 HA CYS 61 HA CYS 61 -0.762 -17.857 1.916 390 1HB CYS 61 HB2 CYS 61 -2.754 -16.134 3.401 391 2HB CYS 61 HB1 CYS 61 -3.140 -17.492 2.346 392 HG CYS 61 HG CYS 61 -2.004 -19.426 3.983 393 HA PRO 62 HA PRO 62 -2.188 -14.154 -0.651 394 1HB PRO 62 HB2 PRO 62 -2.536 -11.738 0.805 395 2HB PRO 62 HB1 PRO 62 -3.787 -12.823 0.218 396 1HG PRO 62 HG2 PRO 62 -3.228 -12.357 2.883 397 2HG PRO 62 HG1 PRO 62 -4.062 -13.794 2.262 398 1HD PRO 62 HD2 PRO 62 -1.170 -13.445 2.989 399 2HD PRO 62 HD1 PRO 62 -2.262 -14.811 3.326 400 H THR 63 HN THR 63 0.559 -14.342 0.632 401 HA THR 63 HA THR 63 2.632 -13.503 0.478 402 HB THR 63 HB THR 63 3.261 -12.183 -1.503 403 HG1 THR 63 HG1 THR 63 0.524 -11.783 -1.646 404 1HG2 THR 63 HG21 THR 63 3.098 -14.619 -1.649 405 2HG2 THR 63 HG22 THR 63 2.686 -13.847 -3.181 406 3HG2 THR 63 HG23 THR 63 1.409 -14.477 -2.138 407 H GLN 64 HN GLN 64 3.930 -11.287 0.189 408 HA GLN 64 HA GLN 64 3.253 -9.745 2.421 409 1HB GLN 64 HB2 GLN 64 5.204 -9.371 0.191 410 2HB GLN 64 HB1 GLN 64 4.919 -8.059 1.324 411 1HG GLN 64 HG2 GLN 64 5.875 -10.828 2.009 412 2HG GLN 64 HG1 GLN 64 6.847 -9.356 1.982 413 1HE2 GLN 64 HE21 GLN 64 6.440 -11.148 4.185 414 2HE2 GLN 64 HE22 GLN 64 5.693 -10.227 5.448 415 HA PRO 65 HA PRO 65 1.890 -6.260 -0.681 416 1HB PRO 65 HB2 PRO 65 0.620 -7.243 -2.922 417 2HB PRO 65 HB1 PRO 65 2.263 -6.605 -2.861 418 1HG PRO 65 HG2 PRO 65 1.322 -9.434 -2.816 419 2HG PRO 65 HG1 PRO 65 2.742 -8.731 -3.614 420 1HD PRO 65 HD2 PRO 65 2.941 -10.119 -1.320 421 2HD PRO 65 HD1 PRO 65 3.988 -8.727 -1.669 422 H ASP 66 HN ASP 66 -0.173 -9.282 -0.687 423 HA ASP 66 HA ASP 66 -2.550 -7.713 -0.430 424 1HB ASP 66 HB2 ASP 66 -2.044 -10.416 -0.802 425 2HB ASP 66 HB1 ASP 66 -2.702 -10.337 0.830 426 H LYS 67 HN LYS 67 -0.255 -9.140 1.795 427 HA LYS 67 HA LYS 67 -1.541 -8.590 4.210 428 1HB LYS 67 HB2 LYS 67 0.576 -9.925 3.993 429 2HB LYS 67 HB1 LYS 67 1.449 -8.418 3.664 430 1HG LYS 67 HG2 LYS 67 0.052 -9.154 6.246 431 2HG LYS 67 HG1 LYS 67 1.787 -9.147 5.972 432 1HD LYS 67 HD2 LYS 67 0.096 -6.676 5.709 433 2HD LYS 67 HD1 LYS 67 0.797 -7.185 7.238 434 1HE LYS 67 HE2 LYS 67 2.040 -5.433 5.840 435 2HE LYS 67 HE1 LYS 67 2.960 -6.751 6.533 436 1HZ LYS 67 HZ1 LYS 67 2.999 -7.839 4.394 437 2HZ LYS 67 HZ2 LYS 67 3.577 -6.260 4.228 438 3HZ LYS 67 HZ3 LYS 67 2.011 -6.642 3.720 439 H VAL 68 HN VAL 68 0.473 -6.496 2.103 440 HA VAL 68 HA VAL 68 0.623 -4.355 3.918 441 HB VAL 68 HB VAL 68 1.352 -2.927 2.258 442 1HG1 VAL 68 HG11 VAL 68 2.894 -4.761 2.506 443 2HG1 VAL 68 HG12 VAL 68 2.899 -4.192 0.839 444 3HG1 VAL 68 HG13 VAL 68 2.046 -5.676 1.263 445 1HG2 VAL 68 HG21 VAL 68 0.962 -3.156 -0.144 446 2HG2 VAL 68 HG22 VAL 68 -0.539 -2.975 0.763 447 3HG2 VAL 68 HG23 VAL 68 -0.056 -4.562 0.166 448 H ARG 69 HN ARG 69 -1.837 -5.253 1.573 449 HA ARG 69 HA ARG 69 -3.459 -3.028 1.676 450 1HB ARG 69 HB2 ARG 69 -4.218 -4.619 0.174 451 2HB ARG 69 HB1 ARG 69 -3.957 -5.949 1.290 452 1HG ARG 69 HG2 ARG 69 -6.296 -5.723 0.964 453 2HG ARG 69 HG1 ARG 69 -5.928 -5.158 2.592 454 1HD ARG 69 HD2 ARG 69 -5.895 -2.824 1.654 455 2HD ARG 69 HD1 ARG 69 -6.534 -3.490 0.155 456 HE ARG 69 HE ARG 69 -8.013 -2.821 2.448 457 1HH1 ARG 69 HH11 ARG 69 -7.797 -5.538 0.219 458 2HH1 ARG 69 HH12 ARG 69 -9.483 -5.918 0.345 459 1HH2 ARG 69 HH21 ARG 69 -10.224 -3.344 2.590 460 2HH2 ARG 69 HH22 ARG 69 -10.849 -4.687 1.685 461 H LYS 70 HN LYS 70 -3.242 -5.730 3.950 462 HA LYS 70 HA LYS 70 -5.362 -4.865 5.604 463 1HB LYS 70 HB2 LYS 70 -4.961 -7.014 6.117 464 2HB LYS 70 HB1 LYS 70 -3.250 -6.894 5.743 465 1HG LYS 70 HG2 LYS 70 -4.082 -5.479 8.177 466 2HG LYS 70 HG1 LYS 70 -4.261 -7.234 8.224 467 1HD LYS 70 HD2 LYS 70 -1.946 -7.499 7.537 468 2HD LYS 70 HD1 LYS 70 -1.762 -5.753 7.430 469 1HE LYS 70 HE2 LYS 70 -0.760 -6.499 9.478 470 2HE LYS 70 HE1 LYS 70 -2.228 -5.597 9.860 471 1HZ LYS 70 HZ1 LYS 70 -3.106 -7.363 10.853 472 2HZ LYS 70 HZ2 LYS 70 -1.560 -8.066 10.788 473 3HZ LYS 70 HZ3 LYS 70 -2.706 -8.409 9.580 474 H ILE 71 HN ILE 71 -1.876 -4.132 5.690 475 HA ILE 71 HA ILE 71 -2.024 -3.039 8.307 476 HB ILE 71 HB ILE 71 0.222 -2.138 7.950 477 1HG1 ILE 71 HG12 ILE 71 -0.084 -3.260 5.162 478 2HG1 ILE 71 HG11 ILE 71 0.169 -1.575 5.600 479 1HG2 ILE 71 HG21 ILE 71 1.359 -4.311 7.706 480 2HG2 ILE 71 HG22 ILE 71 -0.150 -5.007 7.109 481 3HG2 ILE 71 HG23 ILE 71 -0.055 -4.397 8.760 482 1HD1 ILE 71 HD11 ILE 71 2.127 -3.821 6.016 483 2HD1 ILE 71 HD12 ILE 71 2.383 -2.130 6.459 484 3HD1 ILE 71 HD13 ILE 71 2.209 -2.581 4.761 485 H LEU 72 HN LEU 72 -1.819 -1.395 5.099 486 HA LEU 72 HA LEU 72 -2.232 1.132 6.359 487 1HB LEU 72 HB2 LEU 72 -3.056 1.710 3.852 488 2HB LEU 72 HB1 LEU 72 -1.440 1.878 4.465 489 HG LEU 72 HG LEU 72 -1.540 0.978 2.222 490 1HD1 LEU 72 HD11 LEU 72 -0.403 -0.895 4.266 491 2HD1 LEU 72 HD12 LEU 72 0.398 0.449 3.461 492 3HD1 LEU 72 HD13 LEU 72 -0.070 -0.978 2.540 493 1HD2 LEU 72 HD21 LEU 72 -2.925 -1.403 3.430 494 2HD2 LEU 72 HD22 LEU 72 -2.357 -1.267 1.765 495 3HD2 LEU 72 HD23 LEU 72 -3.648 -0.214 2.344 496 H ASP 73 HN ASP 73 -4.358 -1.332 5.222 497 HA ASP 73 HA ASP 73 -6.736 0.107 4.957 498 1HB ASP 73 HB2 ASP 73 -6.190 -2.533 4.810 499 2HB ASP 73 HB1 ASP 73 -6.869 -2.475 6.417 500 H LEU 74 HN LEU 74 -5.193 -1.256 7.825 501 HA LEU 74 HA LEU 74 -7.237 -0.363 9.622 502 1HB LEU 74 HB2 LEU 74 -4.443 -1.408 10.074 503 2HB LEU 74 HB1 LEU 74 -5.587 -1.059 11.368 504 HG LEU 74 HG LEU 74 -6.579 -2.854 9.242 505 1HD1 LEU 74 HD11 LEU 74 -4.423 -3.781 9.320 506 2HD1 LEU 74 HD12 LEU 74 -5.427 -4.797 10.362 507 3HD1 LEU 74 HD13 LEU 74 -4.327 -3.616 11.077 508 1HD2 LEU 74 HD21 LEU 74 -7.903 -2.298 11.214 509 2HD2 LEU 74 HD22 LEU 74 -6.640 -2.956 12.255 510 3HD2 LEU 74 HD23 LEU 74 -7.526 -4.019 11.161 511 H VAL 75 HN VAL 75 -4.194 0.933 8.465 512 HA VAL 75 HA VAL 75 -3.948 2.952 10.461 513 HB VAL 75 HB VAL 75 -2.113 2.042 8.863 514 1HG1 VAL 75 HG11 VAL 75 -3.205 2.559 6.770 515 2HG1 VAL 75 HG12 VAL 75 -1.685 3.440 6.921 516 3HG1 VAL 75 HG13 VAL 75 -3.216 4.272 7.185 517 1HG2 VAL 75 HG21 VAL 75 -2.252 4.997 9.347 518 2HG2 VAL 75 HG22 VAL 75 -0.804 4.001 9.228 519 3HG2 VAL 75 HG23 VAL 75 -1.896 3.817 10.604 520 H GLN 76 HN GLN 76 -5.405 2.821 7.266 521 HA GLN 76 HA GLN 76 -6.841 4.135 6.146 522 1HB GLN 76 HB2 GLN 76 -7.192 5.494 8.812 523 2HB GLN 76 HB1 GLN 76 -8.144 5.876 7.383 524 1HG GLN 76 HG2 GLN 76 -8.884 3.513 7.310 525 2HG GLN 76 HG1 GLN 76 -8.029 3.240 8.826 526 1HE2 GLN 76 HE21 GLN 76 -9.706 6.209 8.089 527 2HE2 GLN 76 HE22 GLN 76 -10.981 5.998 9.237 528 H SER 77 HN SER 77 -4.613 6.038 8.162 529 HA SER 77 HA SER 77 -4.496 8.026 6.003 530 1HB SER 77 HB2 SER 77 -3.578 9.530 7.827 531 2HB SER 77 HB1 SER 77 -5.258 9.028 8.028 532 HG SER 77 HG SER 77 -4.209 8.740 9.982 533 H LYS 78 HN LYS 78 -2.213 7.258 8.624 534 HA LYS 78 HA LYS 78 0.037 8.156 7.308 535 1HB LYS 78 HB2 LYS 78 -0.092 5.963 9.397 536 2HB LYS 78 HB1 LYS 78 1.376 6.850 8.960 537 1HG LYS 78 HG2 LYS 78 -1.116 8.069 10.170 538 2HG LYS 78 HG1 LYS 78 0.327 7.609 11.069 539 1HD LYS 78 HD2 LYS 78 0.608 9.896 10.746 540 2HD LYS 78 HD1 LYS 78 1.572 9.189 9.449 541 1HE LYS 78 HE2 LYS 78 -0.169 9.616 7.852 542 2HE LYS 78 HE1 LYS 78 -1.271 10.137 9.123 543 1HZ LYS 78 HZ1 LYS 78 -0.184 11.951 7.812 544 2HZ LYS 78 HZ2 LYS 78 1.284 11.526 8.543 545 3HZ LYS 78 HZ3 LYS 78 -0.009 12.075 9.491 546 H GLY 79 HN GLY 79 -0.511 4.699 7.915 547 1HA GLY 79 HA2 GLY 79 1.385 3.595 6.319 548 2HA GLY 79 HA1 GLY 79 -0.191 2.858 6.566 549 H GLU 80 HN GLU 80 -1.930 4.356 5.187 550 HA GLU 80 HA GLU 80 -1.598 3.457 2.583 551 1HB GLU 80 HB2 GLU 80 -3.782 4.175 3.487 552 2HB GLU 80 HB1 GLU 80 -3.244 5.850 3.441 553 1HG GLU 80 HG2 GLU 80 -2.975 5.690 1.009 554 2HG GLU 80 HG1 GLU 80 -3.544 4.025 1.063 555 H GLU 81 HN GLU 81 -0.985 6.731 3.861 556 HA GLU 81 HA GLU 81 -0.279 7.735 1.283 557 1HB GLU 81 HB2 GLU 81 0.080 9.827 2.340 558 2HB GLU 81 HB1 GLU 81 -1.264 9.084 3.187 559 1HG GLU 81 HG2 GLU 81 0.190 8.456 5.012 560 2HG GLU 81 HG1 GLU 81 1.574 9.147 4.166 561 H VAL 82 HN VAL 82 1.543 6.736 4.140 562 HA VAL 82 HA VAL 82 4.035 7.614 3.078 563 HB VAL 82 HB VAL 82 5.075 6.591 4.994 564 1HG1 VAL 82 HG11 VAL 82 3.918 7.819 6.751 565 2HG1 VAL 82 HG12 VAL 82 2.483 7.938 5.731 566 3HG1 VAL 82 HG13 VAL 82 3.973 8.753 5.256 567 1HG2 VAL 82 HG21 VAL 82 3.773 5.342 6.662 568 2HG2 VAL 82 HG22 VAL 82 3.839 4.502 5.112 569 3HG2 VAL 82 HG23 VAL 82 2.378 5.373 5.582 570 H SER 83 HN SER 83 2.359 4.510 3.125 571 HA SER 83 HA SER 83 4.623 2.960 2.397 572 1HB SER 83 HB2 SER 83 3.010 1.179 1.921 573 2HB SER 83 HB1 SER 83 2.615 1.979 3.442 574 HG SER 83 HG SER 83 0.909 2.971 2.492 575 H GLU 84 HN GLU 84 1.928 4.335 0.530 576 HA GLU 84 HA GLU 84 2.854 3.393 -1.965 577 1HB GLU 84 HB2 GLU 84 1.246 4.908 -2.970 578 2HB GLU 84 HB1 GLU 84 0.516 4.131 -1.574 579 1HG GLU 84 HG2 GLU 84 0.956 6.161 -0.252 580 2HG GLU 84 HG1 GLU 84 1.609 6.933 -1.695 581 H PHE 85 HN PHE 85 3.356 6.401 -0.189 582 HA PHE 85 HA PHE 85 4.718 7.765 -2.240 583 1HB PHE 85 HB2 PHE 85 3.799 8.940 -0.318 584 2HB PHE 85 HB1 PHE 85 4.883 8.077 0.767 585 HD1 PHE 85 HD1 PHE 85 6.746 9.183 1.484 586 HD2 PHE 85 HD2 PHE 85 5.075 10.210 -2.291 587 HE1 PHE 85 HE1 PHE 85 8.419 10.962 1.231 588 HE2 PHE 85 HE2 PHE 85 6.749 11.995 -2.552 589 HZ PHE 85 HZ PHE 85 8.418 12.377 -0.804 590 H PHE 86 HN PHE 86 5.937 5.728 0.437 591 HA PHE 86 HA PHE 86 8.654 6.332 0.025 592 1HB PHE 86 HB2 PHE 86 7.407 5.149 2.017 593 2HB PHE 86 HB1 PHE 86 7.799 3.685 1.100 594 HD1 PHE 86 HD1 PHE 86 9.709 2.599 1.651 595 HD2 PHE 86 HD2 PHE 86 9.510 6.807 2.242 596 HE1 PHE 86 HE1 PHE 86 11.966 2.571 2.600 597 HE2 PHE 86 HE2 PHE 86 11.778 6.785 3.200 598 HZ PHE 86 HZ PHE 86 13.013 4.659 3.380 599 H LEU 87 HN LEU 87 6.749 3.462 -1.007 600 HA LEU 87 HA LEU 87 8.990 2.329 -2.330 601 1HB LEU 87 HB2 LEU 87 7.722 0.523 -2.724 602 2HB LEU 87 HB1 LEU 87 6.617 1.267 -1.578 603 HG LEU 87 HG LEU 87 6.313 1.882 -4.498 604 1HD1 LEU 87 HD11 LEU 87 4.873 -0.081 -4.762 605 2HD1 LEU 87 HD12 LEU 87 5.339 -0.637 -3.155 606 3HD1 LEU 87 HD13 LEU 87 6.546 -0.539 -4.438 607 1HD2 LEU 87 HD21 LEU 87 3.964 2.023 -3.878 608 2HD2 LEU 87 HD22 LEU 87 4.949 3.052 -2.837 609 3HD2 LEU 87 HD23 LEU 87 4.354 1.503 -2.237 610 H TYR 88 HN TYR 88 6.399 4.462 -3.356 611 HA TYR 88 HA TYR 88 7.043 4.276 -6.139 612 1HB TYR 88 HB2 TYR 88 5.303 6.181 -4.582 613 2HB TYR 88 HB1 TYR 88 5.592 6.377 -6.307 614 HD1 TYR 88 HD1 TYR 88 5.729 3.080 -6.314 615 HD2 TYR 88 HD2 TYR 88 2.881 6.084 -5.334 616 HE1 TYR 88 HE1 TYR 88 3.911 1.495 -6.785 617 HE2 TYR 88 HE2 TYR 88 1.054 4.511 -5.801 618 HH TYR 88 HH TYR 88 0.632 2.505 -7.026 619 H LEU 89 HN LEU 89 8.015 6.566 -3.569 620 HA LEU 89 HA LEU 89 9.253 8.377 -5.325 621 1HB LEU 89 HB2 LEU 89 10.547 9.189 -3.466 622 2HB LEU 89 HB1 LEU 89 8.917 8.869 -2.927 623 HG LEU 89 HG LEU 89 9.948 6.601 -2.094 624 1HD1 LEU 89 HD11 LEU 89 12.369 8.400 -2.165 625 2HD1 LEU 89 HD12 LEU 89 12.150 6.917 -3.093 626 3HD1 LEU 89 HD13 LEU 89 12.257 6.847 -1.335 627 1HD2 LEU 89 HD21 LEU 89 10.397 7.653 0.058 628 2HD2 LEU 89 HD22 LEU 89 8.945 8.323 -0.686 629 3HD2 LEU 89 HD23 LEU 89 10.454 9.235 -0.718 630 H LEU 90 HN LEU 90 10.333 5.390 -3.892 631 HA LEU 90 HA LEU 90 12.855 5.265 -5.160 632 1HB LEU 90 HB2 LEU 90 11.012 3.270 -3.881 633 2HB LEU 90 HB1 LEU 90 12.488 2.743 -4.686 634 HG LEU 90 HG LEU 90 12.384 4.728 -2.411 635 1HD1 LEU 90 HD11 LEU 90 11.677 2.549 -1.644 636 2HD1 LEU 90 HD12 LEU 90 13.302 2.897 -1.056 637 3HD1 LEU 90 HD13 LEU 90 13.074 1.796 -2.414 638 1HD2 LEU 90 HD21 LEU 90 14.312 5.014 -3.884 639 2HD2 LEU 90 HD22 LEU 90 14.703 3.302 -3.712 640 3HD2 LEU 90 HD23 LEU 90 14.799 4.372 -2.315 641 H GLN 91 HN GLN 91 9.632 4.109 -6.086 642 HA GLN 91 HA GLN 91 10.575 2.620 -8.327 643 1HB GLN 91 HB2 GLN 91 8.673 1.744 -7.344 644 2HB GLN 91 HB1 GLN 91 7.912 3.311 -7.180 645 1HG GLN 91 HG2 GLN 91 6.719 2.014 -8.788 646 2HG GLN 91 HG1 GLN 91 7.528 3.342 -9.614 647 1HE2 GLN 91 HE21 GLN 91 7.300 2.172 -11.544 648 2HE2 GLN 91 HE22 GLN 91 8.381 0.885 -11.937 649 H GLN 92 HN GLN 92 8.654 5.561 -8.057 650 HA GLN 92 HA GLN 92 9.518 7.280 -9.834 651 1HB GLN 92 HB2 GLN 92 8.071 6.818 -11.968 652 2HB GLN 92 HB1 GLN 92 9.657 6.061 -11.818 653 1HG GLN 92 HG2 GLN 92 8.075 4.112 -10.792 654 2HG GLN 92 HG1 GLN 92 6.971 4.878 -11.929 655 1HE2 GLN 92 HE21 GLN 92 7.008 3.051 -13.296 656 2HE2 GLN 92 HE22 GLN 92 8.372 2.704 -14.308 657 H LEU 93 HN LEU 93 8.371 8.780 -8.761 658 HA LEU 93 HA LEU 93 5.662 8.401 -7.972 659 1HB LEU 93 HB2 LEU 93 7.169 11.007 -8.259 660 2HB LEU 93 HB1 LEU 93 5.650 10.790 -7.417 661 HG LEU 93 HG LEU 93 7.061 9.085 -5.982 662 1HD1 LEU 93 HD11 LEU 93 9.359 9.846 -5.686 663 2HD1 LEU 93 HD12 LEU 93 9.152 10.989 -7.013 664 3HD1 LEU 93 HD13 LEU 93 9.078 9.254 -7.323 665 1HD2 LEU 93 HD21 LEU 93 7.513 10.881 -4.401 666 2HD2 LEU 93 HD22 LEU 93 5.924 11.079 -5.141 667 3HD2 LEU 93 HD23 LEU 93 7.276 12.075 -5.678 668 H ALA 94 HN ALA 94 7.256 9.883 -10.695 669 HA ALA 94 HA ALA 94 4.993 11.153 -11.795 670 1HB ALA 94 HB1 ALA 94 7.453 10.157 -13.224 671 2HB ALA 94 HB2 ALA 94 7.303 11.717 -12.412 672 3HB ALA 94 HB3 ALA 94 6.305 11.354 -13.821 673 H ASP 95 HN ASP 95 6.389 7.918 -12.302 674 HA ASP 95 HA ASP 95 4.358 7.291 -14.236 675 1HB ASP 95 HB2 ASP 95 6.395 6.238 -14.713 676 2HB ASP 95 HB1 ASP 95 6.579 5.671 -13.056 677 H ALA 96 HN ALA 96 5.157 6.161 -10.983 678 HA ALA 96 HA ALA 96 2.958 4.303 -10.983 679 1HB ALA 96 HB1 ALA 96 5.098 3.746 -9.963 680 2HB ALA 96 HB2 ALA 96 3.768 3.639 -8.808 681 3HB ALA 96 HB3 ALA 96 4.859 5.026 -8.772 682 H TYR 97 HN TYR 97 3.733 7.289 -9.206 683 HA TYR 97 HA TYR 97 1.445 7.048 -7.524 684 1HB TYR 97 HB2 TYR 97 3.636 8.294 -7.035 685 2HB TYR 97 HB1 TYR 97 2.969 9.600 -8.010 686 HD1 TYR 97 HD1 TYR 97 2.591 7.687 -4.889 687 HD2 TYR 97 HD2 TYR 97 1.208 11.006 -7.163 688 HE1 TYR 97 HE1 TYR 97 1.410 8.544 -2.910 689 HE2 TYR 97 HE2 TYR 97 0.020 11.866 -5.191 690 HH TYR 97 HH TYR 97 0.550 10.642 -2.046 691 H VAL 98 HN VAL 98 2.177 8.932 -10.442 692 HA VAL 98 HA VAL 98 -0.328 10.251 -10.576 693 HB VAL 98 HB VAL 98 1.609 9.565 -12.795 694 1HG1 VAL 98 HG11 VAL 98 -0.716 11.484 -12.762 695 2HG1 VAL 98 HG12 VAL 98 -0.569 10.022 -13.737 696 3HG1 VAL 98 HG13 VAL 98 0.501 11.392 -14.035 697 1HG2 VAL 98 HG21 VAL 98 2.335 11.901 -12.538 698 2HG2 VAL 98 HG22 VAL 98 2.601 10.961 -11.070 699 3HG2 VAL 98 HG23 VAL 98 1.240 12.080 -11.167 700 H ASP 99 HN ASP 99 0.796 7.131 -11.780 701 HA ASP 99 HA ASP 99 -1.584 6.539 -13.258 702 1HB ASP 99 HB2 ASP 99 0.975 5.329 -12.894 703 2HB ASP 99 HB1 ASP 99 -0.262 4.127 -12.544 704 H LEU 100 HN LEU 100 -0.869 6.593 -10.002 705 HA LEU 100 HA LEU 100 -2.093 4.336 -8.954 706 1HB LEU 100 HB2 LEU 100 -0.651 6.083 -7.808 707 2HB LEU 100 HB1 LEU 100 -2.085 7.073 -7.687 708 HG LEU 100 HG LEU 100 -1.418 5.805 -5.613 709 1HD1 LEU 100 HD11 LEU 100 -3.645 6.751 -5.888 710 2HD1 LEU 100 HD12 LEU 100 -3.700 5.224 -5.007 711 3HD1 LEU 100 HD13 LEU 100 -4.175 5.282 -6.704 712 1HD2 LEU 100 HD21 LEU 100 -2.412 3.463 -7.226 713 2HD2 LEU 100 HD22 LEU 100 -2.086 3.445 -5.494 714 3HD2 LEU 100 HD23 LEU 100 -0.769 3.711 -6.637 715 H ARG 101 HN ARG 101 -3.546 7.373 -10.053 716 HA ARG 101 HA ARG 101 -6.077 6.918 -8.866 717 1HB ARG 101 HB2 ARG 101 -5.283 8.649 -11.203 718 2HB ARG 101 HB1 ARG 101 -6.931 8.559 -10.603 719 1HG ARG 101 HG2 ARG 101 -6.161 10.416 -9.521 720 2HG ARG 101 HG1 ARG 101 -5.830 9.167 -8.319 721 1HD ARG 101 HD2 ARG 101 -3.921 10.617 -8.507 722 2HD ARG 101 HD1 ARG 101 -3.510 9.033 -9.161 723 HE ARG 101 HE ARG 101 -3.789 10.004 -11.392 724 1HH1 ARG 101 HH11 ARG 101 -3.361 12.182 -8.690 725 2HH1 ARG 101 HH12 ARG 101 -2.764 13.491 -9.669 726 1HH2 ARG 101 HH21 ARG 101 -3.019 11.720 -12.694 727 2HH2 ARG 101 HH22 ARG 101 -2.558 13.219 -11.938 728 HA PRO 102 HA PRO 102 -7.352 5.021 -13.239 729 1HB PRO 102 HB2 PRO 102 -4.620 4.123 -14.027 730 2HB PRO 102 HB1 PRO 102 -5.966 4.658 -15.041 731 1HG PRO 102 HG2 PRO 102 -3.886 6.254 -14.595 732 2HG PRO 102 HG1 PRO 102 -5.537 6.903 -14.656 733 1HD PRO 102 HD2 PRO 102 -3.785 6.386 -12.296 734 2HD PRO 102 HD1 PRO 102 -4.954 7.692 -12.573 735 H TRP 103 HN TRP 103 -4.625 3.850 -11.310 736 HA TRP 103 HA TRP 103 -5.158 1.103 -11.612 737 1HB TRP 103 HB2 TRP 103 -3.657 2.630 -9.488 738 2HB TRP 103 HB1 TRP 103 -3.785 0.874 -9.480 739 HD1 TRP 103 HD1 TRP 103 -3.553 1.138 -12.914 740 HE1 TRP 103 HE1 TRP 103 -1.155 1.181 -13.829 741 HE3 TRP 103 HE3 TRP 103 -1.056 2.373 -8.616 742 HZ2 TRP 103 HZ2 TRP 103 1.453 1.671 -12.867 743 HZ3 TRP 103 HZ3 TRP 103 1.391 2.605 -8.709 744 HH2 TRP 103 HH2 TRP 103 2.627 2.264 -10.789 745 H LEU 104 HN LEU 104 -6.271 3.433 -9.154 746 HA LEU 104 HA LEU 104 -7.689 1.445 -7.690 747 1HB LEU 104 HB2 LEU 104 -8.709 3.203 -6.425 748 2HB LEU 104 HB1 LEU 104 -7.005 3.533 -6.624 749 HG LEU 104 HG LEU 104 -7.912 5.026 -8.642 750 1HD1 LEU 104 HD11 LEU 104 -10.179 5.076 -6.654 751 2HD1 LEU 104 HD12 LEU 104 -10.258 4.377 -8.271 752 3HD1 LEU 104 HD13 LEU 104 -10.000 6.110 -8.073 753 1HD2 LEU 104 HD21 LEU 104 -7.840 6.934 -7.115 754 2HD2 LEU 104 HD22 LEU 104 -6.534 5.795 -6.785 755 3HD2 LEU 104 HD23 LEU 104 -7.954 5.839 -5.739 756 H LEU 105 HN LEU 105 -8.492 3.451 -10.435 757 HA LEU 105 HA LEU 105 -11.270 3.025 -10.484 758 1HB LEU 105 HB2 LEU 105 -9.208 3.731 -12.494 759 2HB LEU 105 HB1 LEU 105 -10.710 3.079 -13.117 760 HG LEU 105 HG LEU 105 -11.954 4.880 -11.979 761 1HD1 LEU 105 HD11 LEU 105 -9.214 5.897 -11.252 762 2HD1 LEU 105 HD12 LEU 105 -10.447 5.314 -10.133 763 3HD1 LEU 105 HD13 LEU 105 -10.722 6.790 -11.060 764 1HD2 LEU 105 HD21 LEU 105 -11.218 6.693 -13.445 765 2HD2 LEU 105 HD22 LEU 105 -11.262 5.146 -14.294 766 3HD2 LEU 105 HD23 LEU 105 -9.720 5.820 -13.767 767 H GLU 106 HN GLU 106 -8.581 0.998 -11.418 768 HA GLU 106 HA GLU 106 -10.068 -0.914 -12.885 769 1HB GLU 106 HB2 GLU 106 -7.425 -1.216 -11.452 770 2HB GLU 106 HB1 GLU 106 -8.078 -2.345 -12.633 771 1HG GLU 106 HG2 GLU 106 -8.040 -0.546 -14.319 772 2HG GLU 106 HG1 GLU 106 -7.286 0.517 -13.128 773 H ILE 107 HN ILE 107 -9.098 -0.747 -9.460 774 HA ILE 107 HA ILE 107 -10.238 -3.303 -8.847 775 HB ILE 107 HB ILE 107 -8.405 -2.354 -7.483 776 1HG1 ILE 107 HG12 ILE 107 -9.200 -3.046 -5.336 777 2HG1 ILE 107 HG11 ILE 107 -10.863 -2.695 -5.769 778 1HG2 ILE 107 HG21 ILE 107 -9.048 -0.026 -7.494 779 2HG2 ILE 107 HG22 ILE 107 -8.887 -0.605 -5.835 780 3HG2 ILE 107 HG23 ILE 107 -10.488 -0.393 -6.545 781 1HD1 ILE 107 HD11 ILE 107 -10.410 -5.089 -5.741 782 2HD1 ILE 107 HD12 ILE 107 -9.162 -4.865 -6.968 783 3HD1 ILE 107 HD13 ILE 107 -10.850 -4.536 -7.358 784 H GLY 108 HN GLY 108 -11.423 -0.113 -9.159 785 1HA GLY 108 HA2 GLY 108 -13.578 0.596 -9.432 786 2HA GLY 108 HA1 GLY 108 -14.072 -1.085 -9.347 787 H PHE 109 HN PHE 109 -12.476 0.914 -6.868 788 HA PHE 109 HA PHE 109 -14.345 0.071 -4.893 789 1HB PHE 109 HB2 PHE 109 -12.012 0.745 -4.341 790 2HB PHE 109 HB1 PHE 109 -12.424 2.407 -4.750 791 HD1 PHE 109 HD1 PHE 109 -13.518 3.806 -3.200 792 HD2 PHE 109 HD2 PHE 109 -13.174 -0.364 -2.429 793 HE1 PHE 109 HE1 PHE 109 -14.325 4.167 -0.906 794 HE2 PHE 109 HE2 PHE 109 -13.979 -0.009 -0.132 795 HZ PHE 109 HZ PHE 109 -14.556 2.257 0.631 796 H SER 110 HN SER 110 -13.815 3.162 -6.562 797 HA SER 110 HA SER 110 -16.551 3.936 -5.835 798 1HB SER 110 HB2 SER 110 -15.763 6.251 -6.557 799 2HB SER 110 HB1 SER 110 -15.016 5.605 -5.095 800 HG SER 110 HG SER 110 -13.892 5.467 -7.703 Start of MODEL 8 1 1H GLY 12 HT1 GLY 12 -24.423 7.062 7.607 2 2H GLY 12 HT2 GLY 12 -25.396 5.867 6.909 3 3H GLY 12 HT3 GLY 12 -25.174 7.353 6.116 4 1HA GLY 12 HA1 GLY 12 -23.109 5.279 6.598 5 2HA GLY 12 HA2 GLY 12 -23.839 5.681 5.048 6 H ALA 13 HN ALA 13 -21.071 5.746 5.473 7 HA ALA 13 HA ALA 13 -20.558 8.521 4.865 8 1HB ALA 13 HB1 ALA 13 -19.167 7.259 7.222 9 2HB ALA 13 HB2 ALA 13 -20.406 8.512 7.310 10 3HB ALA 13 HB3 ALA 13 -18.851 8.860 6.555 11 H MET 14 HN MET 14 -18.384 5.955 6.032 12 HA MET 14 HA MET 14 -16.370 5.260 5.251 13 1HB MET 14 HB2 MET 14 -17.701 5.647 2.564 14 2HB MET 14 HB1 MET 14 -16.101 4.952 2.769 15 1HG MET 14 HG2 MET 14 -18.742 3.821 3.629 16 2HG MET 14 HG1 MET 14 -17.569 3.160 2.485 17 1HE MET 14 HE1 MET 14 -17.561 0.579 5.444 18 2HE MET 14 HE2 MET 14 -17.822 0.803 3.715 19 3HE MET 14 HE3 MET 14 -18.946 1.511 4.875 20 H GLU 15 HN GLU 15 -14.669 6.480 5.565 21 HA GLU 15 HA GLU 15 -14.520 9.209 5.075 22 1HB GLU 15 HB2 GLU 15 -12.170 9.081 5.604 23 2HB GLU 15 HB1 GLU 15 -13.055 7.999 6.665 24 1HG GLU 15 HG2 GLU 15 -11.426 7.206 4.258 25 2HG GLU 15 HG1 GLU 15 -10.970 7.000 5.946 26 H SER 16 HN SER 16 -13.512 6.507 3.087 27 HA SER 16 HA SER 16 -14.111 7.719 0.665 28 1HB SER 16 HB2 SER 16 -11.258 8.067 1.509 29 2HB SER 16 HB1 SER 16 -11.605 7.735 -0.186 30 HG SER 16 HG SER 16 -12.773 9.832 1.334 31 H HIS 17 HN HIS 17 -12.193 5.363 2.432 32 HA HIS 17 HA HIS 17 -11.264 3.360 1.861 33 1HB HIS 17 HB2 HIS 17 -14.010 3.304 0.704 34 2HB HIS 17 HB1 HIS 17 -12.914 1.993 0.282 35 HD1 HIS 17 HD1 HIS 17 -13.179 3.651 3.699 36 HD2 HIS 17 HD2 HIS 17 -13.970 0.007 1.835 37 HE1 HIS 17 HE1 HIS 17 -13.780 2.052 5.543 38 HE2 HIS 17 HE2 HIS 17 -14.424 -0.089 4.386 39 HA PRO 18 HA PRO 18 -10.120 4.877 -2.372 40 1HB PRO 18 HB2 PRO 18 -8.132 6.612 -1.781 41 2HB PRO 18 HB1 PRO 18 -9.841 7.032 -1.675 42 1HG PRO 18 HG2 PRO 18 -7.908 6.688 0.476 43 2HG PRO 18 HG1 PRO 18 -9.536 7.377 0.542 44 1HD PRO 18 HD2 PRO 18 -8.636 4.665 1.211 45 2HD PRO 18 HD1 PRO 18 -10.162 5.476 1.623 46 H HIS 19 HN HIS 19 -7.080 5.215 -0.603 47 HA HIS 19 HA HIS 19 -5.753 3.913 -2.792 48 1HB HIS 19 HB2 HIS 19 -4.619 5.006 -0.209 49 2HB HIS 19 HB1 HIS 19 -3.674 4.499 -1.605 50 HD1 HIS 19 HD1 HIS 19 -2.749 6.534 -2.635 51 HD2 HIS 19 HD2 HIS 19 -6.683 7.089 -1.393 52 HE1 HIS 19 HE1 HIS 19 -3.381 8.860 -3.366 53 HE2 HIS 19 HE2 HIS 19 -5.814 9.103 -2.760 54 H ILE 20 HN ILE 20 -6.439 3.195 0.569 55 HA ILE 20 HA ILE 20 -4.848 0.941 0.925 56 HB ILE 20 HB ILE 20 -6.681 0.194 2.543 57 1HG1 ILE 20 HG12 ILE 20 -7.847 2.833 1.637 58 2HG1 ILE 20 HG11 ILE 20 -8.610 1.247 1.558 59 1HG2 ILE 20 HG21 ILE 20 -4.778 1.361 3.356 60 2HG2 ILE 20 HG22 ILE 20 -6.198 2.083 4.109 61 3HG2 ILE 20 HG23 ILE 20 -5.396 2.904 2.769 62 1HD1 ILE 20 HD11 ILE 20 -7.883 2.704 4.086 63 2HD1 ILE 20 HD12 ILE 20 -8.735 1.161 3.973 64 3HD1 ILE 20 HD13 ILE 20 -9.496 2.635 3.372 65 H GLN 21 HN GLN 21 -8.101 1.192 -0.432 66 HA GLN 21 HA GLN 21 -8.477 -1.585 -0.836 67 1HB GLN 21 HB2 GLN 21 -9.751 0.636 -2.437 68 2HB GLN 21 HB1 GLN 21 -10.383 -0.979 -2.148 69 1HG GLN 21 HG2 GLN 21 -10.031 1.167 -0.068 70 2HG GLN 21 HG1 GLN 21 -11.545 0.728 -0.848 71 1HE2 GLN 21 HE21 GLN 21 -9.169 -0.179 1.516 72 2HE2 GLN 21 HE22 GLN 21 -10.092 -1.441 2.245 73 H LEU 22 HN LEU 22 -7.320 1.043 -2.890 74 HA LEU 22 HA LEU 22 -7.331 -0.310 -5.311 75 1HB LEU 22 HB2 LEU 22 -6.821 1.715 -6.064 76 2HB LEU 22 HB1 LEU 22 -6.797 2.243 -4.395 77 HG LEU 22 HG LEU 22 -4.266 1.370 -4.596 78 1HD1 LEU 22 HD11 LEU 22 -4.976 2.317 -7.362 79 2HD1 LEU 22 HD12 LEU 22 -4.475 0.688 -6.911 80 3HD1 LEU 22 HD13 LEU 22 -3.344 2.032 -6.756 81 1HD2 LEU 22 HD21 LEU 22 -3.621 3.692 -4.971 82 2HD2 LEU 22 HD22 LEU 22 -4.962 3.572 -3.833 83 3HD2 LEU 22 HD23 LEU 22 -5.263 4.065 -5.499 84 H LEU 23 HN LEU 23 -4.662 0.101 -2.982 85 HA LEU 23 HA LEU 23 -2.650 -0.516 -4.821 86 1HB LEU 23 HB2 LEU 23 -2.638 -0.607 -1.818 87 2HB LEU 23 HB1 LEU 23 -1.201 -0.831 -2.801 88 HG LEU 23 HG LEU 23 -2.917 1.651 -2.694 89 1HD1 LEU 23 HD11 LEU 23 -0.087 1.176 -1.791 90 2HD1 LEU 23 HD12 LEU 23 -1.488 1.312 -0.729 91 3HD1 LEU 23 HD13 LEU 23 -0.977 2.695 -1.699 92 1HD2 LEU 23 HD21 LEU 23 -0.425 1.078 -4.294 93 2HD2 LEU 23 HD22 LEU 23 -1.222 2.645 -4.159 94 3HD2 LEU 23 HD23 LEU 23 -2.051 1.299 -4.941 95 H LYS 24 HN LYS 24 -4.454 -2.644 -2.687 96 HA LYS 24 HA LYS 24 -2.750 -4.875 -3.026 97 1HB LYS 24 HB2 LYS 24 -4.592 -6.235 -2.180 98 2HB LYS 24 HB1 LYS 24 -4.325 -4.804 -1.191 99 1HG LYS 24 HG2 LYS 24 -6.368 -4.005 -1.588 100 2HG LYS 24 HG1 LYS 24 -6.326 -4.443 -3.299 101 1HD LYS 24 HD2 LYS 24 -6.667 -6.502 -1.138 102 2HD LYS 24 HD1 LYS 24 -8.041 -5.620 -1.808 103 1HE LYS 24 HE2 LYS 24 -6.074 -7.129 -3.510 104 2HE LYS 24 HE1 LYS 24 -7.530 -7.869 -2.849 105 1HZ LYS 24 HZ1 LYS 24 -7.784 -7.032 -5.142 106 2HZ LYS 24 HZ2 LYS 24 -7.539 -5.452 -4.581 107 3HZ LYS 24 HZ3 LYS 24 -8.882 -6.340 -4.057 108 H SER 25 HN SER 25 -5.369 -3.597 -4.973 109 HA SER 25 HA SER 25 -5.782 -5.976 -6.493 110 1HB SER 25 HB2 SER 25 -6.443 -3.120 -7.243 111 2HB SER 25 HB1 SER 25 -7.174 -4.588 -7.901 112 HG SER 25 HG SER 25 -8.355 -3.457 -6.165 113 H ASN 26 HN ASN 26 -3.382 -3.574 -6.523 114 HA ASN 26 HA ASN 26 -2.268 -4.788 -8.958 115 1HB ASN 26 HB2 ASN 26 -1.069 -2.496 -9.224 116 2HB ASN 26 HB1 ASN 26 -2.745 -2.639 -9.739 117 1HD2 ASN 26 HD21 ASN 26 -0.611 -1.408 -7.256 118 2HD2 ASN 26 HD22 ASN 26 -1.737 -0.274 -6.595 119 H ARG 27 HN ARG 27 -1.956 -5.609 -6.284 120 HA ARG 27 HA ARG 27 0.391 -4.631 -5.052 121 1HB ARG 27 HB2 ARG 27 0.285 -6.688 -3.708 122 2HB ARG 27 HB1 ARG 27 -1.273 -5.887 -3.792 123 1HG ARG 27 HG2 ARG 27 -1.799 -7.537 -5.679 124 2HG ARG 27 HG1 ARG 27 -0.375 -8.420 -5.128 125 1HD ARG 27 HD2 ARG 27 -1.372 -8.554 -2.874 126 2HD ARG 27 HD1 ARG 27 -2.809 -7.740 -3.486 127 HE ARG 27 HE ARG 27 -2.052 -10.496 -3.891 128 1HH1 ARG 27 HH11 ARG 27 -3.983 -7.834 -5.100 129 2HH1 ARG 27 HH12 ARG 27 -5.172 -8.863 -5.835 130 1HH2 ARG 27 HH21 ARG 27 -3.631 -11.853 -4.854 131 2HH2 ARG 27 HH22 ARG 27 -4.970 -11.137 -5.711 132 H GLU 28 HN GLU 28 -0.234 -7.404 -7.107 133 HA GLU 28 HA GLU 28 2.367 -8.451 -7.161 134 1HB GLU 28 HB2 GLU 28 1.619 -9.800 -9.021 135 2HB GLU 28 HB1 GLU 28 0.345 -9.709 -7.820 136 1HG GLU 28 HG2 GLU 28 0.465 -8.365 -10.503 137 2HG GLU 28 HG1 GLU 28 -0.695 -9.556 -9.927 138 H LEU 29 HN LEU 29 0.815 -5.968 -9.077 139 HA LEU 29 HA LEU 29 2.910 -5.649 -10.961 140 1HB LEU 29 HB2 LEU 29 0.621 -4.800 -11.298 141 2HB LEU 29 HB1 LEU 29 0.857 -3.657 -9.990 142 HG LEU 29 HG LEU 29 2.622 -2.537 -11.298 143 1HD1 LEU 29 HD11 LEU 29 3.390 -4.428 -12.616 144 2HD1 LEU 29 HD12 LEU 29 2.900 -3.099 -13.669 145 3HD1 LEU 29 HD13 LEU 29 1.840 -4.491 -13.457 146 1HD2 LEU 29 HD21 LEU 29 -0.003 -2.852 -12.747 147 2HD2 LEU 29 HD22 LEU 29 1.142 -1.528 -12.962 148 3HD2 LEU 29 HD23 LEU 29 0.321 -1.742 -11.415 149 H LEU 30 HN LEU 30 2.107 -3.957 -7.936 150 HA LEU 30 HA LEU 30 4.312 -2.177 -8.075 151 1HB LEU 30 HB2 LEU 30 2.264 -2.869 -6.049 152 2HB LEU 30 HB1 LEU 30 3.722 -2.083 -5.477 153 HG LEU 30 HG LEU 30 3.301 -0.151 -6.902 154 1HD1 LEU 30 HD11 LEU 30 2.281 -1.281 -8.800 155 2HD1 LEU 30 HD12 LEU 30 1.262 0.037 -8.220 156 3HD1 LEU 30 HD13 LEU 30 0.848 -1.635 -7.833 157 1HD2 LEU 30 HD21 LEU 30 1.252 0.652 -5.839 158 2HD2 LEU 30 HD22 LEU 30 2.280 -0.207 -4.691 159 3HD2 LEU 30 HD23 LEU 30 0.852 -0.997 -5.357 160 H VAL 31 HN VAL 31 3.916 -5.362 -6.602 161 HA VAL 31 HA VAL 31 6.099 -5.234 -4.862 162 HB VAL 31 HB VAL 31 4.422 -7.019 -4.726 163 1HG1 VAL 31 HG11 VAL 31 4.558 -8.987 -6.166 164 2HG1 VAL 31 HG12 VAL 31 5.775 -8.177 -7.155 165 3HG1 VAL 31 HG13 VAL 31 4.133 -7.539 -7.077 166 1HG2 VAL 31 HG21 VAL 31 5.967 -8.857 -4.198 167 2HG2 VAL 31 HG22 VAL 31 6.523 -7.304 -3.576 168 3HG2 VAL 31 HG23 VAL 31 7.259 -7.987 -5.026 169 H THR 32 HN THR 32 5.960 -6.363 -8.240 170 HA THR 32 HA THR 32 8.747 -6.938 -8.391 171 HB THR 32 HB THR 32 7.230 -8.080 -9.904 172 HG1 THR 32 HG1 THR 32 9.499 -7.245 -10.547 173 1HG2 THR 32 HG21 THR 32 5.559 -6.321 -10.215 174 2HG2 THR 32 HG22 THR 32 6.151 -6.908 -11.771 175 3HG2 THR 32 HG23 THR 32 6.723 -5.366 -11.134 176 H HIS 33 HN HIS 33 6.830 -4.083 -8.856 177 HA HIS 33 HA HIS 33 8.248 -2.567 -10.636 178 1HB HIS 33 HB2 HIS 33 6.529 -1.937 -8.300 179 2HB HIS 33 HB1 HIS 33 7.571 -0.618 -8.883 180 HD1 HIS 33 HD1 HIS 33 7.449 -1.038 -11.885 181 HD2 HIS 33 HD2 HIS 33 4.113 -1.263 -9.412 182 HE1 HIS 33 HE1 HIS 33 5.475 -0.559 -13.366 183 HE2 HIS 33 HE2 HIS 33 3.498 -0.496 -11.812 184 H ILE 34 HN ILE 34 8.757 -2.415 -7.117 185 HA ILE 34 HA ILE 34 11.576 -1.877 -7.725 186 HB ILE 34 HB ILE 34 10.784 0.216 -6.959 187 1HG1 ILE 34 HG12 ILE 34 11.968 0.506 -4.776 188 2HG1 ILE 34 HG11 ILE 34 12.127 -1.243 -4.677 189 1HG2 ILE 34 HG21 ILE 34 9.468 -1.192 -4.646 190 2HG2 ILE 34 HG22 ILE 34 8.659 -0.440 -6.021 191 3HG2 ILE 34 HG23 ILE 34 9.551 0.556 -4.873 192 1HD1 ILE 34 HD11 ILE 34 14.170 -0.228 -5.490 193 2HD1 ILE 34 HD12 ILE 34 13.287 0.517 -6.825 194 3HD1 ILE 34 HD13 ILE 34 13.438 -1.238 -6.737 195 H ARG 35 HN ARG 35 9.611 -2.588 -4.846 196 HA ARG 35 HA ARG 35 10.773 -5.192 -4.513 197 1HB ARG 35 HB2 ARG 35 11.658 -2.928 -2.726 198 2HB ARG 35 HB1 ARG 35 11.633 -4.589 -2.150 199 1HG ARG 35 HG2 ARG 35 13.176 -5.230 -3.946 200 2HG ARG 35 HG1 ARG 35 13.213 -3.554 -4.496 201 1HD ARG 35 HD2 ARG 35 14.134 -2.873 -2.330 202 2HD ARG 35 HD1 ARG 35 14.102 -4.553 -1.792 203 HE ARG 35 HE ARG 35 15.572 -4.280 -4.216 204 1HH1 ARG 35 HH11 ARG 35 15.791 -3.750 -0.754 205 2HH1 ARG 35 HH12 ARG 35 17.525 -3.880 -0.725 206 1HH2 ARG 35 HH21 ARG 35 17.854 -4.460 -4.156 207 2HH2 ARG 35 HH22 ARG 35 18.689 -4.277 -2.638 208 H ASN 36 HN ASN 36 8.762 -2.589 -3.532 209 HA ASN 36 HA ASN 36 6.637 -2.550 -2.755 210 1HB ASN 36 HB2 ASN 36 6.228 -4.760 -3.764 211 2HB ASN 36 HB1 ASN 36 6.904 -5.542 -2.339 212 1HD2 ASN 36 HD21 ASN 36 5.070 -6.622 -1.774 213 2HD2 ASN 36 HD22 ASN 36 3.642 -5.837 -1.202 214 H THR 37 HN THR 37 9.236 -4.063 -1.041 215 HA THR 37 HA THR 37 8.112 -4.219 1.533 216 HB THR 37 HB THR 37 10.643 -4.077 2.190 217 HG1 THR 37 HG1 THR 37 11.742 -4.918 0.091 218 1HG2 THR 37 HG21 THR 37 9.306 -6.135 2.189 219 2HG2 THR 37 HG22 THR 37 10.933 -6.428 1.573 220 3HG2 THR 37 HG23 THR 37 9.575 -6.309 0.454 221 H GLN 38 HN GLN 38 9.334 -1.549 -0.277 222 HA GLN 38 HA GLN 38 10.027 0.177 1.831 223 1HB GLN 38 HB2 GLN 38 9.009 0.756 -0.953 224 2HB GLN 38 HB1 GLN 38 9.581 2.003 0.147 225 1HG GLN 38 HG2 GLN 38 11.357 1.515 -1.326 226 2HG GLN 38 HG1 GLN 38 11.773 0.784 0.222 227 1HE2 GLN 38 HE21 GLN 38 13.178 -0.682 -0.695 228 2HE2 GLN 38 HE22 GLN 38 12.624 -2.029 -1.625 229 H CYS 39 HN CYS 39 6.949 -0.714 0.441 230 HA CYS 39 HA CYS 39 5.393 1.411 1.451 231 1HB CYS 39 HB2 CYS 39 4.326 -1.378 1.123 232 2HB CYS 39 HB1 CYS 39 3.526 0.151 0.799 233 HG CYS 39 HG CYS 39 4.583 -1.790 -1.389 234 H LEU 40 HN LEU 40 6.121 -1.809 2.703 235 HA LEU 40 HA LEU 40 4.394 -1.536 4.932 236 1HB LEU 40 HB2 LEU 40 5.587 -3.656 5.706 237 2HB LEU 40 HB1 LEU 40 4.590 -3.701 4.260 238 HG LEU 40 HG LEU 40 6.945 -3.248 3.084 239 1HD1 LEU 40 HD11 LEU 40 7.657 -4.725 5.622 240 2HD1 LEU 40 HD12 LEU 40 8.204 -3.111 5.165 241 3HD1 LEU 40 HD13 LEU 40 8.711 -4.513 4.224 242 1HD2 LEU 40 HD21 LEU 40 5.448 -5.119 2.628 243 2HD2 LEU 40 HD22 LEU 40 6.008 -5.939 4.085 244 3HD2 LEU 40 HD23 LEU 40 7.120 -5.667 2.744 245 H VAL 41 HN VAL 41 7.869 -1.014 4.524 246 HA VAL 41 HA VAL 41 8.445 -0.982 7.283 247 HB VAL 41 HB VAL 41 10.434 0.480 6.613 248 1HG1 VAL 41 HG11 VAL 41 10.054 -2.271 5.424 249 2HG1 VAL 41 HG12 VAL 41 10.598 -1.902 7.062 250 3HG1 VAL 41 HG13 VAL 41 11.609 -1.478 5.680 251 1HG2 VAL 41 HG21 VAL 41 9.455 1.275 4.493 252 2HG2 VAL 41 HG22 VAL 41 9.515 -0.376 3.872 253 3HG2 VAL 41 HG23 VAL 41 11.011 0.476 4.260 254 H ASP 42 HN ASP 42 7.733 1.770 5.071 255 HA ASP 42 HA ASP 42 7.846 3.637 7.221 256 1HB ASP 42 HB2 ASP 42 7.847 4.055 4.604 257 2HB ASP 42 HB1 ASP 42 6.115 4.268 4.881 258 H ASN 43 HN ASN 43 5.343 1.536 6.022 259 HA ASN 43 HA ASN 43 3.248 2.672 7.534 260 1HB ASN 43 HB2 ASN 43 2.544 1.226 5.838 261 2HB ASN 43 HB1 ASN 43 3.767 0.013 6.220 262 1HD2 ASN 43 HD21 ASN 43 3.471 -1.343 7.912 263 2HD2 ASN 43 HD22 ASN 43 1.930 -1.600 8.610 264 H LEU 44 HN LEU 44 5.853 0.434 8.164 265 HA LEU 44 HA LEU 44 4.923 -0.554 10.635 266 1HB LEU 44 HB2 LEU 44 6.513 -1.862 9.526 267 2HB LEU 44 HB1 LEU 44 7.598 -0.520 9.284 268 HG LEU 44 HG LEU 44 8.291 -2.337 10.934 269 1HD1 LEU 44 HD11 LEU 44 9.459 -0.230 10.806 270 2HD1 LEU 44 HD12 LEU 44 9.341 -0.771 12.476 271 3HD1 LEU 44 HD13 LEU 44 8.286 0.514 11.884 272 1HD2 LEU 44 HD21 LEU 44 6.208 -2.600 12.122 273 2HD2 LEU 44 HD22 LEU 44 6.284 -0.922 12.662 274 3HD2 LEU 44 HD23 LEU 44 7.484 -2.083 13.223 275 H LEU 45 HN LEU 45 7.250 2.129 9.915 276 HA LEU 45 HA LEU 45 7.594 2.530 12.717 277 1HB LEU 45 HB2 LEU 45 9.161 4.071 12.255 278 2HB LEU 45 HB1 LEU 45 9.118 3.281 10.705 279 HG LEU 45 HG LEU 45 9.344 5.589 10.316 280 1HD1 LEU 45 HD11 LEU 45 6.411 5.182 9.834 281 2HD1 LEU 45 HD12 LEU 45 7.674 4.339 8.921 282 3HD1 LEU 45 HD13 LEU 45 7.594 6.100 8.888 283 1HD2 LEU 45 HD21 LEU 45 6.990 6.070 12.126 284 2HD2 LEU 45 HD22 LEU 45 7.815 7.299 11.167 285 3HD2 LEU 45 HD23 LEU 45 8.677 6.462 12.459 286 H LYS 46 HN LYS 46 5.244 3.620 10.448 287 HA LYS 46 HA LYS 46 4.106 5.637 12.111 288 1HB LYS 46 HB2 LYS 46 3.493 4.325 9.567 289 2HB LYS 46 HB1 LYS 46 2.064 4.771 10.491 290 1HG LYS 46 HG2 LYS 46 2.505 6.581 9.056 291 2HG LYS 46 HG1 LYS 46 3.061 7.096 10.649 292 1HD LYS 46 HD2 LYS 46 5.343 6.635 10.050 293 2HD LYS 46 HD1 LYS 46 4.841 5.938 8.512 294 1HE LYS 46 HE2 LYS 46 3.901 8.156 7.891 295 2HE LYS 46 HE1 LYS 46 4.590 8.813 9.374 296 1HZ LYS 46 HZ1 LYS 46 5.976 9.150 7.355 297 2HZ LYS 46 HZ2 LYS 46 6.198 7.469 7.264 298 3HZ LYS 46 HZ3 LYS 46 6.778 8.336 8.608 299 H ASN 47 HN ASN 47 3.575 2.154 11.744 300 HA ASN 47 HA ASN 47 1.223 2.326 13.505 301 1HB ASN 47 HB2 ASN 47 2.096 0.196 11.561 302 2HB ASN 47 HB1 ASN 47 0.734 0.012 12.658 303 1HD2 ASN 47 HD21 ASN 47 -0.727 -0.195 10.998 304 2HD2 ASN 47 HD22 ASN 47 -1.197 1.125 9.994 305 H ASP 48 HN ASP 48 4.438 1.255 13.500 306 HA ASP 48 HA ASP 48 5.769 0.450 15.120 307 1HB ASP 48 HB2 ASP 48 3.364 1.141 16.742 308 2HB ASP 48 HB1 ASP 48 4.697 0.270 17.493 309 H TYR 49 HN TYR 49 4.017 -1.543 13.606 310 HA TYR 49 HA TYR 49 5.444 -3.689 14.624 311 1HB TYR 49 HB2 TYR 49 3.806 -5.181 15.592 312 2HB TYR 49 HB1 TYR 49 3.900 -3.694 16.517 313 HD1 TYR 49 HD1 TYR 49 2.039 -1.994 16.247 314 HD2 TYR 49 HD2 TYR 49 1.772 -5.956 14.725 315 HE1 TYR 49 HE1 TYR 49 -0.410 -1.801 16.187 316 HE2 TYR 49 HE2 TYR 49 -0.677 -5.770 14.656 317 HH TYR 49 HH TYR 49 -2.449 -4.486 15.739 318 H PHE 50 HN PHE 50 3.047 -2.483 12.512 319 HA PHE 50 HA PHE 50 2.622 -4.895 10.986 320 1HB PHE 50 HB2 PHE 50 2.124 -1.963 10.448 321 2HB PHE 50 HB1 PHE 50 1.747 -3.226 9.284 322 HD1 PHE 50 HD1 PHE 50 0.523 -1.302 11.944 323 HD2 PHE 50 HD2 PHE 50 0.263 -5.171 10.199 324 HE1 PHE 50 HE1 PHE 50 -1.640 -1.661 13.055 325 HE2 PHE 50 HE2 PHE 50 -1.900 -5.532 11.308 326 HZ PHE 50 HZ PHE 50 -2.893 -3.732 12.667 327 H SER 51 HN SER 51 5.332 -4.631 11.358 328 HA SER 51 HA SER 51 6.507 -3.723 8.885 329 1HB SER 51 HB2 SER 51 8.607 -4.362 9.806 330 2HB SER 51 HB1 SER 51 7.702 -3.644 11.138 331 HG SER 51 HG SER 51 7.787 -5.473 12.135 332 H ALA 52 HN ALA 52 8.204 -5.490 8.124 333 HA ALA 52 HA ALA 52 6.956 -7.552 6.782 334 1HB ALA 52 HB1 ALA 52 9.796 -7.452 7.791 335 2HB ALA 52 HB2 ALA 52 9.209 -6.803 6.260 336 3HB ALA 52 HB3 ALA 52 9.190 -8.544 6.546 337 H GLU 53 HN GLU 53 8.010 -7.427 10.132 338 HA GLU 53 HA GLU 53 8.022 -10.208 10.670 339 1HB GLU 53 HB2 GLU 53 8.885 -8.179 12.065 340 2HB GLU 53 HB1 GLU 53 7.249 -8.121 12.692 341 1HG GLU 53 HG2 GLU 53 9.040 -10.530 12.853 342 2HG GLU 53 HG1 GLU 53 8.867 -9.329 14.127 343 H ASP 54 HN ASP 54 5.496 -7.727 11.229 344 HA ASP 54 HA ASP 54 3.444 -9.532 11.972 345 1HB ASP 54 HB2 ASP 54 2.768 -7.412 12.510 346 2HB ASP 54 HB1 ASP 54 3.597 -6.687 11.137 347 H ALA 55 HN ALA 55 4.387 -8.088 8.943 348 HA ALA 55 HA ALA 55 2.443 -9.137 7.295 349 1HB ALA 55 HB1 ALA 55 3.985 -7.393 6.602 350 2HB ALA 55 HB2 ALA 55 4.010 -8.738 5.459 351 3HB ALA 55 HB3 ALA 55 5.323 -8.544 6.621 352 H GLU 56 HN GLU 56 5.493 -10.588 8.349 353 HA GLU 56 HA GLU 56 5.310 -12.829 6.620 354 1HB GLU 56 HB2 GLU 56 7.419 -12.012 7.649 355 2HB GLU 56 HB1 GLU 56 6.856 -12.615 9.201 356 1HG GLU 56 HG2 GLU 56 8.366 -14.207 8.286 357 2HG GLU 56 HG1 GLU 56 6.742 -14.886 8.216 358 H ILE 57 HN ILE 57 4.127 -12.215 9.876 359 HA ILE 57 HA ILE 57 3.453 -14.932 10.425 360 HB ILE 57 HB ILE 57 2.171 -12.466 11.614 361 1HG1 ILE 57 HG12 ILE 57 4.512 -12.232 11.990 362 2HG1 ILE 57 HG11 ILE 57 3.829 -12.858 13.486 363 1HG2 ILE 57 HG21 ILE 57 0.941 -14.526 12.037 364 2HG2 ILE 57 HG22 ILE 57 1.686 -13.925 13.518 365 3HG2 ILE 57 HG23 ILE 57 2.407 -15.285 12.659 366 1HD1 ILE 57 HD11 ILE 57 5.406 -14.357 11.416 367 2HD1 ILE 57 HD12 ILE 57 4.546 -15.139 12.745 368 3HD1 ILE 57 HD13 ILE 57 5.858 -14.011 13.088 369 H VAL 58 HN VAL 58 1.563 -12.145 9.325 370 HA VAL 58 HA VAL 58 -0.860 -13.609 9.044 371 HB VAL 58 HB VAL 58 -0.115 -10.928 7.881 372 1HG1 VAL 58 HG11 VAL 58 -2.876 -12.029 8.357 373 2HG1 VAL 58 HG12 VAL 58 -2.066 -12.070 6.795 374 3HG1 VAL 58 HG13 VAL 58 -2.437 -10.523 7.556 375 1HG2 VAL 58 HG21 VAL 58 -1.538 -11.648 10.439 376 2HG2 VAL 58 HG22 VAL 58 -1.346 -10.014 9.803 377 3HG2 VAL 58 HG23 VAL 58 0.072 -10.941 10.295 378 H CYS 59 HN CYS 59 1.787 -12.861 6.856 379 HA CYS 59 HA CYS 59 0.527 -12.982 4.380 380 1HB CYS 59 HB2 CYS 59 2.670 -13.263 3.408 381 2HB CYS 59 HB1 CYS 59 2.902 -12.284 4.852 382 HG CYS 59 HG CYS 59 5.083 -13.826 5.008 383 H ALA 60 HN ALA 60 1.267 -15.600 6.525 384 HA ALA 60 HA ALA 60 1.521 -17.835 5.042 385 1HB ALA 60 HB1 ALA 60 1.271 -17.763 7.498 386 2HB ALA 60 HB2 ALA 60 0.320 -19.044 6.745 387 3HB ALA 60 HB3 ALA 60 -0.469 -17.563 7.289 388 H CYS 61 HN CYS 61 -1.402 -15.860 5.198 389 HA CYS 61 HA CYS 61 -2.695 -17.736 3.342 390 1HB CYS 61 HB2 CYS 61 -3.989 -15.517 4.933 391 2HB CYS 61 HB1 CYS 61 -4.816 -16.724 3.952 392 HG CYS 61 HG CYS 61 -3.672 -18.839 5.654 393 HA PRO 62 HA PRO 62 -3.186 -13.669 0.958 394 1HB PRO 62 HB2 PRO 62 -2.494 -11.325 2.404 395 2HB PRO 62 HB1 PRO 62 -4.110 -11.937 2.066 396 1HG PRO 62 HG2 PRO 62 -2.959 -11.764 4.580 397 2HG PRO 62 HG1 PRO 62 -4.327 -12.807 4.155 398 1HD PRO 62 HD2 PRO 62 -1.417 -13.488 4.360 399 2HD PRO 62 HD1 PRO 62 -2.834 -14.417 4.903 400 H THR 63 HN THR 63 -0.301 -14.497 2.236 401 HA THR 63 HA THR 63 1.885 -14.130 1.849 402 HB THR 63 HB THR 63 2.581 -13.555 -0.461 403 HG1 THR 63 HG1 THR 63 -0.049 -12.738 -0.619 404 1HG2 THR 63 HG21 THR 63 0.407 -15.625 -0.186 405 2HG2 THR 63 HG22 THR 63 2.130 -15.853 0.112 406 3HG2 THR 63 HG23 THR 63 1.554 -15.533 -1.524 407 H GLN 64 HN GLN 64 3.465 -12.320 0.640 408 HA GLN 64 HA GLN 64 3.459 -10.231 2.507 409 1HB GLN 64 HB2 GLN 64 5.137 -11.078 0.300 410 2HB GLN 64 HB1 GLN 64 5.069 -9.328 0.437 411 1HG GLN 64 HG2 GLN 64 6.937 -10.166 1.684 412 2HG GLN 64 HG1 GLN 64 5.741 -9.502 2.793 413 1HE2 GLN 64 HE21 GLN 64 6.539 -10.690 4.518 414 2HE2 GLN 64 HE22 GLN 64 6.314 -12.401 4.665 415 HA PRO 65 HA PRO 65 2.232 -7.218 -1.039 416 1HB PRO 65 HB2 PRO 65 0.552 -8.848 -2.812 417 2HB PRO 65 HB1 PRO 65 1.828 -7.685 -3.209 418 1HG PRO 65 HG2 PRO 65 2.183 -10.333 -3.505 419 2HG PRO 65 HG1 PRO 65 3.500 -9.253 -3.009 420 1HD PRO 65 HD2 PRO 65 1.831 -11.098 -1.348 421 2HD PRO 65 HD1 PRO 65 3.572 -10.756 -1.253 422 H ASP 66 HN ASP 66 -0.212 -9.797 -0.318 423 HA ASP 66 HA ASP 66 -2.281 -7.817 -0.120 424 1HB ASP 66 HB2 ASP 66 -2.157 -10.695 0.708 425 2HB ASP 66 HB1 ASP 66 -3.510 -9.670 1.173 426 H LYS 67 HN LYS 67 0.119 -9.149 1.989 427 HA LYS 67 HA LYS 67 -0.874 -8.403 4.464 428 1HB LYS 67 HB2 LYS 67 1.726 -9.106 3.410 429 2HB LYS 67 HB1 LYS 67 1.841 -7.851 4.656 430 1HG LYS 67 HG2 LYS 67 0.813 -10.645 4.872 431 2HG LYS 67 HG1 LYS 67 1.979 -9.783 5.887 432 1HD LYS 67 HD2 LYS 67 -0.803 -8.757 5.773 433 2HD LYS 67 HD1 LYS 67 -0.499 -10.233 6.686 434 1HE LYS 67 HE2 LYS 67 -0.396 -8.240 8.105 435 2HE LYS 67 HE1 LYS 67 1.150 -9.074 8.058 436 1HZ LYS 67 HZ1 LYS 67 0.456 -6.644 6.508 437 2HZ LYS 67 HZ2 LYS 67 1.946 -7.444 6.485 438 3HZ LYS 67 HZ3 LYS 67 1.411 -6.700 7.914 439 H VAL 68 HN VAL 68 0.839 -6.401 2.058 440 HA VAL 68 HA VAL 68 0.937 -4.140 3.771 441 HB VAL 68 HB VAL 68 1.408 -2.747 1.858 442 1HG1 VAL 68 HG11 VAL 68 2.837 -5.385 1.914 443 2HG1 VAL 68 HG12 VAL 68 3.285 -3.880 2.717 444 3HG1 VAL 68 HG13 VAL 68 3.395 -4.009 0.962 445 1HG2 VAL 68 HG21 VAL 68 1.517 -3.626 -0.418 446 2HG2 VAL 68 HG22 VAL 68 -0.128 -3.677 0.221 447 3HG2 VAL 68 HG23 VAL 68 0.835 -5.153 0.139 448 H ARG 69 HN ARG 69 -1.444 -5.248 1.377 449 HA ARG 69 HA ARG 69 -3.285 -3.175 1.643 450 1HB ARG 69 HB2 ARG 69 -3.827 -4.825 0.070 451 2HB ARG 69 HB1 ARG 69 -3.588 -6.132 1.218 452 1HG ARG 69 HG2 ARG 69 -5.921 -5.909 0.714 453 2HG ARG 69 HG1 ARG 69 -5.638 -5.451 2.393 454 1HD ARG 69 HD2 ARG 69 -5.579 -3.045 1.561 455 2HD ARG 69 HD1 ARG 69 -6.216 -3.670 0.036 456 HE ARG 69 HE ARG 69 -7.575 -3.851 2.651 457 1HH1 ARG 69 HH11 ARG 69 -7.712 -3.579 -0.842 458 2HH1 ARG 69 HH12 ARG 69 -9.440 -3.690 -0.909 459 1HH2 ARG 69 HH21 ARG 69 -9.841 -3.980 2.562 460 2HH2 ARG 69 HH22 ARG 69 -10.651 -3.895 1.023 461 H LYS 70 HN LYS 70 -2.904 -6.061 3.679 462 HA LYS 70 HA LYS 70 -4.917 -5.539 5.533 463 1HB LYS 70 HB2 LYS 70 -3.961 -7.700 5.528 464 2HB LYS 70 HB1 LYS 70 -2.331 -7.086 5.696 465 1HG LYS 70 HG2 LYS 70 -4.311 -6.722 7.913 466 2HG LYS 70 HG1 LYS 70 -3.473 -8.259 7.698 467 1HD LYS 70 HD2 LYS 70 -1.343 -6.735 7.598 468 2HD LYS 70 HD1 LYS 70 -2.372 -5.578 8.436 469 1HE LYS 70 HE2 LYS 70 -1.719 -8.378 9.357 470 2HE LYS 70 HE1 LYS 70 -1.025 -6.893 10.001 471 1HZ LYS 70 HZ1 LYS 70 -2.716 -7.482 11.487 472 2HZ LYS 70 HZ2 LYS 70 -3.809 -7.882 10.254 473 3HZ LYS 70 HZ3 LYS 70 -3.411 -6.261 10.543 474 H ILE 71 HN ILE 71 -1.524 -4.455 5.536 475 HA ILE 71 HA ILE 71 -1.709 -3.354 8.149 476 HB ILE 71 HB ILE 71 0.438 -2.251 7.709 477 1HG1 ILE 71 HG12 ILE 71 0.094 -3.391 4.934 478 2HG1 ILE 71 HG11 ILE 71 0.294 -1.699 5.374 479 1HG2 ILE 71 HG21 ILE 71 0.308 -5.139 6.875 480 2HG2 ILE 71 HG22 ILE 71 0.369 -4.527 8.527 481 3HG2 ILE 71 HG23 ILE 71 1.750 -4.305 7.451 482 1HD1 ILE 71 HD11 ILE 71 2.369 -3.883 5.518 483 2HD1 ILE 71 HD12 ILE 71 2.583 -2.257 6.176 484 3HD1 ILE 71 HD13 ILE 71 2.336 -2.480 4.446 485 H LEU 72 HN LEU 72 -2.013 -1.900 4.898 486 HA LEU 72 HA LEU 72 -2.307 0.735 5.896 487 1HB LEU 72 HB2 LEU 72 -3.402 -0.350 3.308 488 2HB LEU 72 HB1 LEU 72 -3.331 1.338 3.775 489 HG LEU 72 HG LEU 72 -1.357 1.545 2.815 490 1HD1 LEU 72 HD11 LEU 72 -0.314 0.926 4.920 491 2HD1 LEU 72 HD12 LEU 72 0.632 0.345 3.550 492 3HD1 LEU 72 HD13 LEU 72 -0.377 -0.776 4.463 493 1HD2 LEU 72 HD21 LEU 72 -1.653 -1.385 2.247 494 2HD2 LEU 72 HD22 LEU 72 -0.436 -0.348 1.499 495 3HD2 LEU 72 HD23 LEU 72 -2.152 -0.046 1.217 496 H ASP 73 HN ASP 73 -4.538 -1.924 5.446 497 HA ASP 73 HA ASP 73 -6.964 -0.548 5.522 498 1HB ASP 73 HB2 ASP 73 -6.155 -3.317 6.302 499 2HB ASP 73 HB1 ASP 73 -7.753 -2.737 6.756 500 H LEU 74 HN LEU 74 -4.997 -1.807 8.192 501 HA LEU 74 HA LEU 74 -6.921 -0.972 10.138 502 1HB LEU 74 HB2 LEU 74 -4.172 -2.120 10.278 503 2HB LEU 74 HB1 LEU 74 -4.873 -1.391 11.717 504 HG LEU 74 HG LEU 74 -6.865 -2.947 11.353 505 1HD1 LEU 74 HD11 LEU 74 -4.895 -4.362 9.567 506 2HD1 LEU 74 HD12 LEU 74 -6.370 -3.554 9.037 507 3HD1 LEU 74 HD13 LEU 74 -6.468 -4.972 10.080 508 1HD2 LEU 74 HD21 LEU 74 -5.234 -3.283 13.126 509 2HD2 LEU 74 HD22 LEU 74 -4.187 -4.159 12.009 510 3HD2 LEU 74 HD23 LEU 74 -5.759 -4.825 12.448 511 H VAL 75 HN VAL 75 -4.067 0.489 8.715 512 HA VAL 75 HA VAL 75 -3.870 2.568 10.662 513 HB VAL 75 HB VAL 75 -2.018 1.848 9.043 514 1HG1 VAL 75 HG11 VAL 75 -3.497 3.711 7.215 515 2HG1 VAL 75 HG12 VAL 75 -3.236 1.984 6.972 516 3HG1 VAL 75 HG13 VAL 75 -1.865 3.094 6.956 517 1HG2 VAL 75 HG21 VAL 75 -1.119 4.196 8.954 518 2HG2 VAL 75 HG22 VAL 75 -1.674 3.654 10.540 519 3HG2 VAL 75 HG23 VAL 75 -2.685 4.729 9.575 520 H GLN 76 HN GLN 76 -5.477 2.268 7.546 521 HA GLN 76 HA GLN 76 -7.185 3.370 6.585 522 1HB GLN 76 HB2 GLN 76 -7.406 4.560 9.324 523 2HB GLN 76 HB1 GLN 76 -8.430 5.116 8.007 524 1HG GLN 76 HG2 GLN 76 -9.328 2.898 7.718 525 2HG GLN 76 HG1 GLN 76 -8.232 2.265 8.945 526 1HE2 GLN 76 HE21 GLN 76 -9.979 1.518 10.164 527 2HE2 GLN 76 HE22 GLN 76 -10.967 2.595 11.090 528 H SER 77 HN SER 77 -4.487 5.153 7.788 529 HA SER 77 HA SER 77 -4.853 7.016 5.585 530 1HB SER 77 HB2 SER 77 -4.467 7.991 8.424 531 2HB SER 77 HB1 SER 77 -4.481 9.004 6.979 532 HG SER 77 HG SER 77 -6.664 7.524 6.902 533 H LYS 78 HN LYS 78 -2.656 6.692 8.434 534 HA LYS 78 HA LYS 78 -0.479 7.859 7.150 535 1HB LYS 78 HB2 LYS 78 -0.453 5.831 9.387 536 2HB LYS 78 HB1 LYS 78 0.966 6.750 8.873 537 1HG LYS 78 HG2 LYS 78 -1.556 7.762 10.179 538 2HG LYS 78 HG1 LYS 78 0.102 7.849 10.776 539 1HD LYS 78 HD2 LYS 78 -1.061 9.334 8.423 540 2HD LYS 78 HD1 LYS 78 -0.578 10.022 9.973 541 1HE LYS 78 HE2 LYS 78 1.739 9.423 9.531 542 2HE LYS 78 HE1 LYS 78 1.264 8.667 8.007 543 1HZ LYS 78 HZ1 LYS 78 0.601 10.779 7.145 544 2HZ LYS 78 HZ2 LYS 78 2.179 10.940 7.758 545 3HZ LYS 78 HZ3 LYS 78 0.859 11.545 8.637 546 H GLY 79 HN GLY 79 -0.987 4.355 7.651 547 1HA GLY 79 HA2 GLY 79 1.309 3.569 6.234 548 2HA GLY 79 HA1 GLY 79 -0.092 2.553 6.570 549 H GLU 80 HN GLU 80 -2.057 4.004 5.283 550 HA GLU 80 HA GLU 80 -1.983 3.090 2.678 551 1HB GLU 80 HB2 GLU 80 -4.060 3.771 3.659 552 2HB GLU 80 HB1 GLU 80 -3.481 5.414 3.898 553 1HG GLU 80 HG2 GLU 80 -3.406 5.730 1.473 554 2HG GLU 80 HG1 GLU 80 -4.011 4.092 1.246 555 H GLU 81 HN GLU 81 -1.253 6.379 3.842 556 HA GLU 81 HA GLU 81 -0.696 7.322 1.210 557 1HB GLU 81 HB2 GLU 81 -0.292 9.447 2.195 558 2HB GLU 81 HB1 GLU 81 -1.641 8.725 3.059 559 1HG GLU 81 HG2 GLU 81 -0.220 8.163 4.910 560 2HG GLU 81 HG1 GLU 81 1.199 8.746 4.039 561 H VAL 82 HN VAL 82 1.304 6.440 3.998 562 HA VAL 82 HA VAL 82 3.705 7.337 2.758 563 HB VAL 82 HB VAL 82 4.904 6.337 4.595 564 1HG1 VAL 82 HG11 VAL 82 2.354 7.671 5.482 565 2HG1 VAL 82 HG12 VAL 82 3.841 8.475 4.981 566 3HG1 VAL 82 HG13 VAL 82 3.815 7.510 6.457 567 1HG2 VAL 82 HG21 VAL 82 2.279 5.081 5.402 568 2HG2 VAL 82 HG22 VAL 82 3.765 5.061 6.353 569 3HG2 VAL 82 HG23 VAL 82 3.702 4.229 4.800 570 H SER 83 HN SER 83 2.034 4.241 2.863 571 HA SER 83 HA SER 83 4.241 2.653 2.128 572 1HB SER 83 HB2 SER 83 2.568 0.955 1.477 573 2HB SER 83 HB1 SER 83 2.208 1.659 3.053 574 HG SER 83 HG SER 83 0.568 2.834 2.159 575 H GLU 84 HN GLU 84 1.639 4.119 0.154 576 HA GLU 84 HA GLU 84 2.720 3.197 -2.290 577 1HB GLU 84 HB2 GLU 84 1.299 5.005 -3.322 578 2HB GLU 84 HB1 GLU 84 0.444 3.866 -2.293 579 1HG GLU 84 HG2 GLU 84 0.357 5.463 -0.502 580 2HG GLU 84 HG1 GLU 84 1.369 6.587 -1.407 581 H PHE 85 HN PHE 85 3.069 6.261 -0.551 582 HA PHE 85 HA PHE 85 4.455 7.624 -2.567 583 1HB PHE 85 HB2 PHE 85 3.354 8.645 -0.559 584 2HB PHE 85 HB1 PHE 85 4.702 8.071 0.416 585 HD1 PHE 85 HD1 PHE 85 6.505 9.469 0.757 586 HD2 PHE 85 HD2 PHE 85 3.989 10.114 -2.615 587 HE1 PHE 85 HE1 PHE 85 7.738 11.536 0.236 588 HE2 PHE 85 HE2 PHE 85 5.218 12.178 -3.144 589 HZ PHE 85 HZ PHE 85 7.095 12.892 -1.717 590 H PHE 86 HN PHE 86 5.660 5.689 0.172 591 HA PHE 86 HA PHE 86 8.364 6.433 -0.197 592 1HB PHE 86 HB2 PHE 86 6.864 4.778 1.619 593 2HB PHE 86 HB1 PHE 86 8.364 3.969 1.138 594 HD1 PHE 86 HD1 PHE 86 10.091 4.294 2.599 595 HD2 PHE 86 HD2 PHE 86 7.333 7.469 1.935 596 HE1 PHE 86 HE1 PHE 86 11.391 5.740 4.107 597 HE2 PHE 86 HE2 PHE 86 8.621 8.913 3.452 598 HZ PHE 86 HZ PHE 86 10.655 8.049 4.536 599 H LEU 87 HN LEU 87 6.614 3.468 -1.196 600 HA LEU 87 HA LEU 87 8.965 2.268 -2.252 601 1HB LEU 87 HB2 LEU 87 7.693 0.489 -2.810 602 2HB LEU 87 HB1 LEU 87 6.537 1.254 -1.736 603 HG LEU 87 HG LEU 87 6.333 2.115 -4.542 604 1HD1 LEU 87 HD11 LEU 87 5.219 0.063 -5.272 605 2HD1 LEU 87 HD12 LEU 87 5.672 -0.723 -3.761 606 3HD1 LEU 87 HD13 LEU 87 6.920 -0.223 -4.903 607 1HD2 LEU 87 HD21 LEU 87 3.958 1.781 -4.074 608 2HD2 LEU 87 HD22 LEU 87 4.736 2.766 -2.834 609 3HD2 LEU 87 HD23 LEU 87 4.369 1.070 -2.512 610 H TYR 88 HN TYR 88 6.588 4.461 -3.496 611 HA TYR 88 HA TYR 88 7.392 4.328 -6.222 612 1HB TYR 88 HB2 TYR 88 5.844 6.395 -4.657 613 2HB TYR 88 HB1 TYR 88 6.139 6.524 -6.390 614 HD1 TYR 88 HD1 TYR 88 5.910 3.191 -6.143 615 HD2 TYR 88 HD2 TYR 88 3.413 6.588 -5.568 616 HE1 TYR 88 HE1 TYR 88 3.941 1.786 -6.542 617 HE2 TYR 88 HE2 TYR 88 1.425 5.198 -5.968 618 HH TYR 88 HH TYR 88 0.796 3.142 -6.992 619 H LEU 89 HN LEU 89 8.444 6.237 -3.447 620 HA LEU 89 HA LEU 89 10.013 8.140 -4.710 621 1HB LEU 89 HB2 LEU 89 10.772 6.536 -2.258 622 2HB LEU 89 HB1 LEU 89 11.494 8.056 -2.745 623 HG LEU 89 HG LEU 89 8.613 7.694 -1.920 624 1HD1 LEU 89 HD11 LEU 89 10.105 7.360 -0.044 625 2HD1 LEU 89 HD12 LEU 89 9.284 8.915 0.101 626 3HD1 LEU 89 HD13 LEU 89 10.966 8.852 -0.429 627 1HD2 LEU 89 HD21 LEU 89 10.221 10.184 -2.499 628 2HD2 LEU 89 HD22 LEU 89 8.572 10.144 -1.875 629 3HD2 LEU 89 HD23 LEU 89 8.919 9.530 -3.492 630 H LEU 90 HN LEU 90 10.916 4.855 -3.743 631 HA LEU 90 HA LEU 90 13.344 4.791 -5.213 632 1HB LEU 90 HB2 LEU 90 11.590 2.655 -4.036 633 2HB LEU 90 HB1 LEU 90 12.999 2.248 -4.993 634 HG LEU 90 HG LEU 90 13.594 2.108 -2.684 635 1HD1 LEU 90 HD11 LEU 90 15.299 3.010 -4.155 636 2HD1 LEU 90 HD12 LEU 90 15.421 3.720 -2.544 637 3HD1 LEU 90 HD13 LEU 90 14.706 4.645 -3.865 638 1HD2 LEU 90 HD21 LEU 90 11.853 3.483 -1.716 639 2HD2 LEU 90 HD22 LEU 90 12.583 4.932 -2.405 640 3HD2 LEU 90 HD23 LEU 90 13.438 4.024 -1.159 641 H GLN 91 HN GLN 91 10.019 3.931 -6.026 642 HA GLN 91 HA GLN 91 10.748 2.333 -8.280 643 1HB GLN 91 HB2 GLN 91 8.764 2.001 -6.794 644 2HB GLN 91 HB1 GLN 91 8.029 3.380 -7.578 645 1HG GLN 91 HG2 GLN 91 8.518 2.033 -9.750 646 2HG GLN 91 HG1 GLN 91 8.544 0.670 -8.627 647 1HE2 GLN 91 HE21 GLN 91 6.616 3.037 -10.184 648 2HE2 GLN 91 HE22 GLN 91 5.085 2.449 -9.656 649 H GLN 92 HN GLN 92 9.099 5.470 -7.989 650 HA GLN 92 HA GLN 92 9.991 6.915 -10.055 651 1HB GLN 92 HB2 GLN 92 8.276 6.466 -11.935 652 2HB GLN 92 HB1 GLN 92 9.644 5.357 -11.797 653 1HG GLN 92 HG2 GLN 92 7.913 3.967 -10.355 654 2HG GLN 92 HG1 GLN 92 6.757 4.906 -11.287 655 1HE2 GLN 92 HE21 GLN 92 7.218 2.061 -11.405 656 2HE2 GLN 92 HE22 GLN 92 7.707 1.707 -13.025 657 H LEU 93 HN LEU 93 9.241 8.525 -8.687 658 HA LEU 93 HA LEU 93 6.657 8.798 -7.680 659 1HB LEU 93 HB2 LEU 93 8.689 10.894 -8.425 660 2HB LEU 93 HB1 LEU 93 7.158 11.294 -7.676 661 HG LEU 93 HG LEU 93 8.711 11.287 -5.929 662 1HD1 LEU 93 HD11 LEU 93 7.361 8.595 -5.916 663 2HD1 LEU 93 HD12 LEU 93 6.665 10.119 -5.368 664 3HD1 LEU 93 HD13 LEU 93 8.034 9.417 -4.509 665 1HD2 LEU 93 HD21 LEU 93 10.301 9.483 -5.506 666 2HD2 LEU 93 HD22 LEU 93 10.549 10.205 -7.095 667 3HD2 LEU 93 HD23 LEU 93 9.738 8.646 -6.953 668 H ALA 94 HN ALA 94 8.041 10.133 -10.646 669 HA ALA 94 HA ALA 94 5.774 11.521 -11.504 670 1HB ALA 94 HB1 ALA 94 7.965 10.331 -13.195 671 2HB ALA 94 HB2 ALA 94 8.051 11.884 -12.364 672 3HB ALA 94 HB3 ALA 94 6.875 11.639 -13.656 673 H ASP 95 HN ASP 95 6.827 8.192 -12.158 674 HA ASP 95 HA ASP 95 4.729 7.833 -14.074 675 1HB ASP 95 HB2 ASP 95 6.805 6.684 -14.483 676 2HB ASP 95 HB1 ASP 95 6.658 5.823 -12.951 677 H ALA 96 HN ALA 96 5.413 6.640 -10.831 678 HA ALA 96 HA ALA 96 3.197 4.826 -10.829 679 1HB ALA 96 HB1 ALA 96 4.936 5.760 -8.566 680 2HB ALA 96 HB2 ALA 96 5.239 4.366 -9.603 681 3HB ALA 96 HB3 ALA 96 3.835 4.383 -8.536 682 H TYR 97 HN TYR 97 3.813 7.998 -9.320 683 HA TYR 97 HA TYR 97 1.428 7.720 -7.747 684 1HB TYR 97 HB2 TYR 97 3.669 9.024 -7.210 685 2HB TYR 97 HB1 TYR 97 2.794 10.359 -7.969 686 HD1 TYR 97 HD1 TYR 97 1.964 7.598 -5.606 687 HD2 TYR 97 HD2 TYR 97 1.723 11.759 -6.447 688 HE1 TYR 97 HE1 TYR 97 0.699 7.932 -3.534 689 HE2 TYR 97 HE2 TYR 97 0.452 12.107 -4.366 690 HH TYR 97 HH TYR 97 -0.249 9.368 -2.176 691 H VAL 98 HN VAL 98 2.343 9.592 -10.623 692 HA VAL 98 HA VAL 98 -0.125 10.965 -10.823 693 HB VAL 98 HB VAL 98 1.780 10.180 -13.041 694 1HG1 VAL 98 HG11 VAL 98 0.752 12.035 -14.290 695 2HG1 VAL 98 HG12 VAL 98 -0.419 12.244 -12.987 696 3HG1 VAL 98 HG13 VAL 98 -0.405 10.754 -13.929 697 1HG2 VAL 98 HG21 VAL 98 1.574 12.728 -11.436 698 2HG2 VAL 98 HG22 VAL 98 2.652 12.458 -12.806 699 3HG2 VAL 98 HG23 VAL 98 2.862 11.527 -11.321 700 H ASP 99 HN ASP 99 0.978 7.807 -11.932 701 HA ASP 99 HA ASP 99 -1.396 7.203 -13.413 702 1HB ASP 99 HB2 ASP 99 1.150 6.075 -13.170 703 2HB ASP 99 HB1 ASP 99 0.054 4.857 -12.526 704 H LEU 100 HN LEU 100 -0.624 7.233 -10.124 705 HA LEU 100 HA LEU 100 -2.046 5.085 -9.065 706 1HB LEU 100 HB2 LEU 100 -0.454 6.702 -7.916 707 2HB LEU 100 HB1 LEU 100 -1.794 7.816 -7.807 708 HG LEU 100 HG LEU 100 -1.247 6.495 -5.725 709 1HD1 LEU 100 HD11 LEU 100 -4.038 6.269 -6.828 710 2HD1 LEU 100 HD12 LEU 100 -3.363 7.648 -5.960 711 3HD1 LEU 100 HD13 LEU 100 -3.586 6.106 -5.131 712 1HD2 LEU 100 HD21 LEU 100 -2.449 4.261 -7.345 713 2HD2 LEU 100 HD22 LEU 100 -2.154 4.211 -5.607 714 3HD2 LEU 100 HD23 LEU 100 -0.799 4.351 -6.729 715 H ARG 101 HN ARG 101 -3.165 8.187 -10.240 716 HA ARG 101 HA ARG 101 -5.701 8.129 -8.985 717 1HB ARG 101 HB2 ARG 101 -4.540 9.738 -11.224 718 2HB ARG 101 HB1 ARG 101 -6.261 9.824 -10.884 719 1HG ARG 101 HG2 ARG 101 -5.165 11.630 -9.762 720 2HG ARG 101 HG1 ARG 101 -5.732 10.476 -8.556 721 1HD ARG 101 HD2 ARG 101 -3.459 9.537 -8.415 722 2HD ARG 101 HD1 ARG 101 -2.904 10.737 -9.583 723 HE ARG 101 HE ARG 101 -4.165 11.690 -7.112 724 1HH1 ARG 101 HH11 ARG 101 -1.210 11.132 -8.914 725 2HH1 ARG 101 HH12 ARG 101 -0.292 12.318 -8.036 726 1HH2 ARG 101 HH21 ARG 101 -2.960 13.241 -5.941 727 2HH2 ARG 101 HH22 ARG 101 -1.290 13.519 -6.347 728 HA PRO 102 HA PRO 102 -7.298 6.209 -13.211 729 1HB PRO 102 HB2 PRO 102 -4.730 4.962 -14.042 730 2HB PRO 102 HB1 PRO 102 -6.031 5.631 -15.032 731 1HG PRO 102 HG2 PRO 102 -3.744 6.958 -14.710 732 2HG PRO 102 HG1 PRO 102 -5.300 7.811 -14.760 733 1HD PRO 102 HD2 PRO 102 -3.568 7.157 -12.414 734 2HD PRO 102 HD1 PRO 102 -4.548 8.603 -12.729 735 H TRP 103 HN TRP 103 -4.796 4.911 -11.085 736 HA TRP 103 HA TRP 103 -5.533 2.175 -11.408 737 1HB TRP 103 HB2 TRP 103 -3.897 3.557 -9.282 738 2HB TRP 103 HB1 TRP 103 -4.138 1.817 -9.343 739 HD1 TRP 103 HD1 TRP 103 -3.845 2.323 -12.790 740 HE1 TRP 103 HE1 TRP 103 -1.422 2.230 -13.655 741 HE3 TRP 103 HE3 TRP 103 -1.358 2.923 -8.346 742 HZ2 TRP 103 HZ2 TRP 103 1.180 2.384 -12.606 743 HZ3 TRP 103 HZ3 TRP 103 1.100 2.935 -8.381 744 HH2 TRP 103 HH2 TRP 103 2.349 2.671 -10.463 745 H LEU 104 HN LEU 104 -6.155 4.506 -8.736 746 HA LEU 104 HA LEU 104 -7.515 2.507 -7.246 747 1HB LEU 104 HB2 LEU 104 -7.805 3.981 -5.505 748 2HB LEU 104 HB1 LEU 104 -6.328 4.523 -6.255 749 HG LEU 104 HG LEU 104 -7.479 6.449 -5.575 750 1HD1 LEU 104 HD11 LEU 104 -6.509 6.731 -7.731 751 2HD1 LEU 104 HD12 LEU 104 -8.022 7.636 -7.640 752 3HD1 LEU 104 HD13 LEU 104 -7.960 6.102 -8.510 753 1HD2 LEU 104 HD21 LEU 104 -9.665 5.537 -5.170 754 2HD2 LEU 104 HD22 LEU 104 -9.952 5.368 -6.902 755 3HD2 LEU 104 HD23 LEU 104 -9.795 6.973 -6.189 756 H LEU 105 HN LEU 105 -8.567 4.699 -9.654 757 HA LEU 105 HA LEU 105 -11.182 5.200 -8.833 758 1HB LEU 105 HB2 LEU 105 -9.904 6.345 -10.651 759 2HB LEU 105 HB1 LEU 105 -10.177 4.947 -11.667 760 HG LEU 105 HG LEU 105 -12.505 6.458 -10.516 761 1HD1 LEU 105 HD11 LEU 105 -11.022 7.113 -13.061 762 2HD1 LEU 105 HD12 LEU 105 -11.082 8.117 -11.613 763 3HD1 LEU 105 HD13 LEU 105 -12.551 7.822 -12.543 764 1HD2 LEU 105 HD21 LEU 105 -13.640 5.607 -12.490 765 2HD2 LEU 105 HD22 LEU 105 -12.904 4.279 -11.591 766 3HD2 LEU 105 HD23 LEU 105 -12.140 4.879 -13.062 767 H GLU 106 HN GLU 106 -9.901 2.509 -10.783 768 HA GLU 106 HA GLU 106 -12.471 1.549 -11.506 769 1HB GLU 106 HB2 GLU 106 -11.270 -0.473 -12.310 770 2HB GLU 106 HB1 GLU 106 -10.651 1.037 -12.952 771 1HG GLU 106 HG2 GLU 106 -8.721 -0.102 -12.496 772 2HG GLU 106 HG1 GLU 106 -8.922 0.843 -11.025 773 H ILE 107 HN ILE 107 -10.419 0.906 -8.752 774 HA ILE 107 HA ILE 107 -12.150 -1.356 -8.019 775 HB ILE 107 HB ILE 107 -9.752 -1.832 -8.091 776 1HG1 ILE 107 HG12 ILE 107 -9.502 -2.821 -5.852 777 2HG1 ILE 107 HG11 ILE 107 -10.827 -1.825 -5.261 778 1HG2 ILE 107 HG21 ILE 107 -9.022 0.472 -7.525 779 2HG2 ILE 107 HG22 ILE 107 -8.172 -0.792 -6.633 780 3HG2 ILE 107 HG23 ILE 107 -9.442 0.144 -5.843 781 1HD1 ILE 107 HD11 ILE 107 -12.360 -2.966 -6.774 782 2HD1 ILE 107 HD12 ILE 107 -11.549 -4.108 -5.704 783 3HD1 ILE 107 HD13 ILE 107 -11.032 -3.951 -7.384 784 H GLY 108 HN GLY 108 -11.290 1.864 -7.086 785 1HA GLY 108 HA2 GLY 108 -12.037 1.656 -4.340 786 2HA GLY 108 HA1 GLY 108 -11.782 3.146 -5.239 787 H PHE 109 HN PHE 109 -13.710 2.794 -7.246 788 HA PHE 109 HA PHE 109 -16.240 2.420 -5.878 789 1HB PHE 109 HB2 PHE 109 -15.488 4.789 -5.391 790 2HB PHE 109 HB1 PHE 109 -15.629 5.109 -7.116 791 HD1 PHE 109 HD1 PHE 109 -17.533 4.086 -4.116 792 HD2 PHE 109 HD2 PHE 109 -17.710 5.604 -8.088 793 HE1 PHE 109 HE1 PHE 109 -19.920 4.590 -3.815 794 HE2 PHE 109 HE2 PHE 109 -20.100 6.105 -7.794 795 HZ PHE 109 HZ PHE 109 -21.206 5.602 -5.653 796 H SER 110 HN SER 110 -16.143 0.723 -7.527 797 HA SER 110 HA SER 110 -17.725 1.542 -9.785 798 1HB SER 110 HB2 SER 110 -15.029 0.229 -10.245 799 2HB SER 110 HB1 SER 110 -16.279 0.397 -11.475 800 HG SER 110 HG SER 110 -15.613 2.736 -10.173 Start of MODEL 9 1 1H GLY 12 HT1 GLY 12 -9.527 12.416 8.171 2 2H GLY 12 HT2 GLY 12 -9.593 14.078 8.518 3 3H GLY 12 HT3 GLY 12 -8.145 13.223 8.746 4 1HA GLY 12 HA1 GLY 12 -8.002 14.525 6.740 5 2HA GLY 12 HA2 GLY 12 -8.002 12.809 6.356 6 H ALA 13 HN ALA 13 -8.732 13.396 4.214 7 HA ALA 13 HA ALA 13 -11.538 14.298 4.145 8 1HB ALA 13 HB1 ALA 13 -11.143 15.098 1.894 9 2HB ALA 13 HB2 ALA 13 -9.495 14.470 1.937 10 3HB ALA 13 HB3 ALA 13 -9.962 15.796 3.002 11 H MET 14 HN MET 14 -9.436 12.415 1.927 12 HA MET 14 HA MET 14 -11.726 10.682 1.434 13 1HB MET 14 HB2 MET 14 -10.482 9.754 -0.418 14 2HB MET 14 HB1 MET 14 -10.434 11.507 -0.499 15 1HG MET 14 HG2 MET 14 -8.158 11.444 0.472 16 2HG MET 14 HG1 MET 14 -8.225 9.676 0.425 17 1HE MET 14 HE1 MET 14 -8.429 12.316 -3.367 18 2HE MET 14 HE2 MET 14 -8.235 12.985 -1.746 19 3HE MET 14 HE3 MET 14 -9.734 12.173 -2.192 20 H GLU 15 HN GLU 15 -11.423 10.071 3.804 21 HA GLU 15 HA GLU 15 -9.457 7.930 4.119 22 1HB GLU 15 HB2 GLU 15 -11.417 9.118 6.095 23 2HB GLU 15 HB1 GLU 15 -10.243 7.863 6.472 24 1HG GLU 15 HG2 GLU 15 -8.432 9.419 5.844 25 2HG GLU 15 HG1 GLU 15 -9.641 10.674 5.581 26 H SER 16 HN SER 16 -11.709 7.799 2.284 27 HA SER 16 HA SER 16 -13.448 5.770 3.449 28 1HB SER 16 HB2 SER 16 -13.597 6.958 0.675 29 2HB SER 16 HB1 SER 16 -14.879 6.150 1.579 30 HG SER 16 HG SER 16 -15.341 8.224 1.925 31 H HIS 17 HN HIS 17 -10.632 5.250 2.864 32 HA HIS 17 HA HIS 17 -9.304 3.613 2.028 33 1HB HIS 17 HB2 HIS 17 -12.022 2.387 1.620 34 2HB HIS 17 HB1 HIS 17 -10.586 1.569 1.026 35 HD1 HIS 17 HD1 HIS 17 -12.153 2.727 4.288 36 HD2 HIS 17 HD2 HIS 17 -9.232 0.122 2.874 37 HE1 HIS 17 HE1 HIS 17 -11.460 1.338 6.269 38 HE2 HIS 17 HE2 HIS 17 -9.873 -0.385 5.320 39 HA PRO 18 HA PRO 18 -10.004 4.955 -2.358 40 1HB PRO 18 HB2 PRO 18 -8.389 7.083 -2.547 41 2HB PRO 18 HB1 PRO 18 -10.015 7.207 -1.869 42 1HG PRO 18 HG2 PRO 18 -7.386 7.200 -0.496 43 2HG PRO 18 HG1 PRO 18 -8.887 8.024 -0.045 44 1HD PRO 18 HD2 PRO 18 -7.899 5.592 1.005 45 2HD PRO 18 HD1 PRO 18 -9.508 6.289 1.275 46 H HIS 19 HN HIS 19 -6.725 5.634 -1.063 47 HA HIS 19 HA HIS 19 -5.479 4.888 -3.495 48 1HB HIS 19 HB2 HIS 19 -4.216 5.156 -0.758 49 2HB HIS 19 HB1 HIS 19 -3.357 5.123 -2.295 50 HD1 HIS 19 HD1 HIS 19 -4.979 7.371 0.090 51 HD2 HIS 19 HD2 HIS 19 -3.832 7.498 -3.911 52 HE1 HIS 19 HE1 HIS 19 -4.963 9.806 -0.539 53 HE2 HIS 19 HE2 HIS 19 -4.003 9.854 -2.864 54 H ILE 20 HN ILE 20 -5.676 3.300 -0.331 55 HA ILE 20 HA ILE 20 -4.109 1.076 -0.959 56 HB ILE 20 HB ILE 20 -5.391 -0.087 0.890 57 1HG1 ILE 20 HG12 ILE 20 -6.731 2.621 0.978 58 2HG1 ILE 20 HG11 ILE 20 -7.501 1.044 0.829 59 1HG2 ILE 20 HG21 ILE 20 -4.350 1.316 2.615 60 2HG2 ILE 20 HG22 ILE 20 -4.090 2.573 1.406 61 3HG2 ILE 20 HG23 ILE 20 -3.282 1.014 1.244 62 1HD1 ILE 20 HD11 ILE 20 -6.829 0.492 3.098 63 2HD1 ILE 20 HD12 ILE 20 -7.770 1.982 3.061 64 3HD1 ILE 20 HD13 ILE 20 -6.018 2.051 3.248 65 H GLN 21 HN GLN 21 -7.523 1.660 -1.504 66 HA GLN 21 HA GLN 21 -8.192 -1.019 -2.097 67 1HB GLN 21 HB2 GLN 21 -9.537 1.468 -1.922 68 2HB GLN 21 HB1 GLN 21 -9.924 0.762 -3.485 69 1HG GLN 21 HG2 GLN 21 -11.571 0.081 -1.887 70 2HG GLN 21 HG1 GLN 21 -10.610 -1.312 -2.359 71 1HE2 GLN 21 HE21 GLN 21 -8.354 -0.571 -0.592 72 2HE2 GLN 21 HE22 GLN 21 -8.883 -0.948 1.012 73 H LEU 22 HN LEU 22 -7.396 1.739 -4.289 74 HA LEU 22 HA LEU 22 -7.166 0.133 -6.561 75 1HB LEU 22 HB2 LEU 22 -7.199 2.380 -7.023 76 2HB LEU 22 HB1 LEU 22 -6.132 2.786 -5.717 77 HG LEU 22 HG LEU 22 -5.291 3.225 -8.059 78 1HD1 LEU 22 HD11 LEU 22 -3.005 2.512 -7.604 79 2HD1 LEU 22 HD12 LEU 22 -3.590 1.472 -6.306 80 3HD1 LEU 22 HD13 LEU 22 -3.772 3.222 -6.183 81 1HD2 LEU 22 HD21 LEU 22 -6.070 1.183 -9.122 82 2HD2 LEU 22 HD22 LEU 22 -4.967 0.233 -8.124 83 3HD2 LEU 22 HD23 LEU 22 -4.327 1.375 -9.307 84 H LEU 23 HN LEU 23 -4.896 0.789 -3.947 85 HA LEU 23 HA LEU 23 -2.569 0.033 -5.264 86 1HB LEU 23 HB2 LEU 23 -2.844 1.385 -3.162 87 2HB LEU 23 HB1 LEU 23 -3.088 -0.130 -2.306 88 HG LEU 23 HG LEU 23 -0.841 -0.840 -3.154 89 1HD1 LEU 23 HD11 LEU 23 -0.636 2.079 -3.868 90 2HD1 LEU 23 HD12 LEU 23 -0.624 0.724 -4.997 91 3HD1 LEU 23 HD13 LEU 23 0.705 0.933 -3.855 92 1HD2 LEU 23 HD21 LEU 23 -1.176 -0.110 -0.864 93 2HD2 LEU 23 HD22 LEU 23 -0.979 1.572 -1.355 94 3HD2 LEU 23 HD23 LEU 23 0.383 0.456 -1.464 95 H LYS 24 HN LYS 24 -4.572 -1.921 -2.978 96 HA LYS 24 HA LYS 24 -2.893 -4.187 -3.365 97 1HB LYS 24 HB2 LYS 24 -4.147 -5.382 -1.912 98 2HB LYS 24 HB1 LYS 24 -4.570 -3.761 -1.383 99 1HG LYS 24 HG2 LYS 24 -6.224 -5.432 -3.284 100 2HG LYS 24 HG1 LYS 24 -6.468 -5.382 -1.543 101 1HD LYS 24 HD2 LYS 24 -7.206 -3.168 -1.595 102 2HD LYS 24 HD1 LYS 24 -6.513 -2.882 -3.194 103 1HE LYS 24 HE2 LYS 24 -8.952 -3.088 -3.297 104 2HE LYS 24 HE1 LYS 24 -8.147 -4.373 -4.198 105 1HZ LYS 24 HZ1 LYS 24 -9.985 -5.238 -2.906 106 2HZ LYS 24 HZ2 LYS 24 -9.321 -4.626 -1.475 107 3HZ LYS 24 HZ3 LYS 24 -8.523 -5.863 -2.323 108 H SER 25 HN SER 25 -5.689 -2.984 -5.063 109 HA SER 25 HA SER 25 -6.399 -5.278 -6.478 110 1HB SER 25 HB2 SER 25 -6.433 -2.401 -7.412 111 2HB SER 25 HB1 SER 25 -7.285 -3.734 -8.196 112 HG SER 25 HG SER 25 -7.927 -2.326 -5.927 113 H ASN 26 HN ASN 26 -3.590 -3.271 -6.747 114 HA ASN 26 HA ASN 26 -2.645 -5.163 -8.767 115 1HB ASN 26 HB2 ASN 26 -1.315 -3.452 -9.857 116 2HB ASN 26 HB1 ASN 26 -2.995 -2.950 -9.820 117 1HD2 ASN 26 HD21 ASN 26 -3.599 -1.280 -8.318 118 2HD2 ASN 26 HD22 ASN 26 -2.417 -0.143 -7.777 119 H ARG 27 HN ARG 27 -2.522 -5.418 -5.977 120 HA ARG 27 HA ARG 27 -0.201 -4.721 -4.664 121 1HB ARG 27 HB2 ARG 27 -0.488 -6.875 -3.412 122 2HB ARG 27 HB1 ARG 27 -1.956 -5.912 -3.515 123 1HG ARG 27 HG2 ARG 27 -2.368 -7.420 -5.640 124 2HG ARG 27 HG1 ARG 27 -1.277 -8.508 -4.791 125 1HD ARG 27 HD2 ARG 27 -2.772 -8.894 -3.091 126 2HD ARG 27 HD1 ARG 27 -3.563 -7.330 -3.290 127 HE ARG 27 HE ARG 27 -4.788 -8.188 -5.106 128 1HH1 ARG 27 HH11 ARG 27 -2.928 -10.649 -3.444 129 2HH1 ARG 27 HH12 ARG 27 -3.638 -11.953 -4.349 130 1HH2 ARG 27 HH21 ARG 27 -5.747 -9.907 -6.255 131 2HH2 ARG 27 HH22 ARG 27 -5.249 -11.539 -5.919 132 H GLU 28 HN GLU 28 -0.717 -7.465 -6.798 133 HA GLU 28 HA GLU 28 1.854 -8.559 -6.723 134 1HB GLU 28 HB2 GLU 28 1.108 -9.448 -9.050 135 2HB GLU 28 HB1 GLU 28 0.243 -9.964 -7.608 136 1HG GLU 28 HG2 GLU 28 -1.449 -8.212 -8.054 137 2HG GLU 28 HG1 GLU 28 -0.616 -7.843 -9.565 138 H LEU 29 HN LEU 29 0.499 -5.930 -8.602 139 HA LEU 29 HA LEU 29 2.696 -5.662 -10.377 140 1HB LEU 29 HB2 LEU 29 0.414 -4.716 -10.763 141 2HB LEU 29 HB1 LEU 29 0.742 -3.530 -9.514 142 HG LEU 29 HG LEU 29 2.602 -2.633 -10.867 143 1HD1 LEU 29 HD11 LEU 29 1.642 -4.566 -12.971 144 2HD1 LEU 29 HD12 LEU 29 3.149 -4.707 -12.068 145 3HD1 LEU 29 HD13 LEU 29 2.901 -3.348 -13.164 146 1HD2 LEU 29 HD21 LEU 29 1.220 -1.589 -12.591 147 2HD2 LEU 29 HD22 LEU 29 0.376 -1.653 -11.043 148 3HD2 LEU 29 HD23 LEU 29 -0.034 -2.798 -12.318 149 H LEU 30 HN LEU 30 1.910 -4.294 -7.202 150 HA LEU 30 HA LEU 30 4.073 -2.509 -6.993 151 1HB LEU 30 HB2 LEU 30 2.483 -4.015 -4.953 152 2HB LEU 30 HB1 LEU 30 3.920 -3.133 -4.475 153 HG LEU 30 HG LEU 30 2.900 -1.043 -5.299 154 1HD1 LEU 30 HD11 LEU 30 0.521 -1.000 -5.836 155 2HD1 LEU 30 HD12 LEU 30 0.472 -2.762 -5.758 156 3HD1 LEU 30 HD13 LEU 30 1.432 -1.960 -7.002 157 1HD2 LEU 30 HD21 LEU 30 1.229 -0.859 -3.515 158 2HD2 LEU 30 HD22 LEU 30 2.697 -1.668 -2.966 159 3HD2 LEU 30 HD23 LEU 30 1.251 -2.612 -3.324 160 H VAL 31 HN VAL 31 3.830 -5.951 -6.097 161 HA VAL 31 HA VAL 31 6.362 -6.035 -4.870 162 HB VAL 31 HB VAL 31 4.618 -7.716 -4.412 163 1HG1 VAL 31 HG11 VAL 31 5.335 -8.845 -7.107 164 2HG1 VAL 31 HG12 VAL 31 3.789 -8.129 -6.650 165 3HG1 VAL 31 HG13 VAL 31 4.323 -9.632 -5.897 166 1HG2 VAL 31 HG21 VAL 31 6.129 -9.662 -4.307 167 2HG2 VAL 31 HG22 VAL 31 6.879 -8.168 -3.743 168 3HG2 VAL 31 HG23 VAL 31 7.266 -8.799 -5.345 169 H THR 32 HN THR 32 5.314 -6.846 -8.169 170 HA THR 32 HA THR 32 7.919 -7.566 -9.050 171 HB THR 32 HB THR 32 5.857 -8.319 -10.219 172 HG1 THR 32 HG1 THR 32 8.092 -7.981 -11.214 173 1HG2 THR 32 HG21 THR 32 4.590 -6.217 -10.159 174 2HG2 THR 32 HG22 THR 32 4.747 -6.832 -11.805 175 3HG2 THR 32 HG23 THR 32 5.753 -5.489 -11.266 176 H HIS 33 HN HIS 33 6.214 -4.535 -8.754 177 HA HIS 33 HA HIS 33 7.618 -2.935 -10.537 178 1HB HIS 33 HB2 HIS 33 5.963 -2.456 -8.145 179 2HB HIS 33 HB1 HIS 33 7.127 -1.163 -8.489 180 HD1 HIS 33 HD1 HIS 33 4.019 -0.795 -8.819 181 HD2 HIS 33 HD2 HIS 33 6.657 -1.757 -11.889 182 HE1 HIS 33 HE1 HIS 33 2.903 -0.037 -10.938 183 HE2 HIS 33 HE2 HIS 33 4.423 -0.821 -12.789 184 H ILE 34 HN ILE 34 8.314 -3.216 -7.035 185 HA ILE 34 HA ILE 34 11.129 -2.871 -7.681 186 HB ILE 34 HB ILE 34 11.004 -1.213 -5.511 187 1HG1 ILE 34 HG12 ILE 34 9.328 0.557 -6.200 188 2HG1 ILE 34 HG11 ILE 34 8.602 -0.643 -7.258 189 1HG2 ILE 34 HG21 ILE 34 10.997 -0.494 -8.432 190 2HG2 ILE 34 HG22 ILE 34 12.400 -0.894 -7.441 191 3HG2 ILE 34 HG23 ILE 34 11.489 0.583 -7.125 192 1HD1 ILE 34 HD11 ILE 34 8.837 -0.867 -4.267 193 2HD1 ILE 34 HD12 ILE 34 8.060 -2.028 -5.343 194 3HD1 ILE 34 HD13 ILE 34 7.387 -0.409 -5.160 195 H ARG 35 HN ARG 35 10.039 -2.217 -4.482 196 HA ARG 35 HA ARG 35 11.291 -4.724 -3.591 197 1HB ARG 35 HB2 ARG 35 10.720 -2.142 -2.124 198 2HB ARG 35 HB1 ARG 35 11.404 -3.574 -1.374 199 1HG ARG 35 HG2 ARG 35 12.705 -2.201 -3.698 200 2HG ARG 35 HG1 ARG 35 13.014 -1.745 -2.022 201 1HD ARG 35 HD2 ARG 35 13.668 -4.102 -1.572 202 2HD ARG 35 HD1 ARG 35 13.503 -4.433 -3.296 203 HE ARG 35 HE ARG 35 15.375 -3.049 -3.716 204 1HH1 ARG 35 HH11 ARG 35 14.738 -3.509 -0.292 205 2HH1 ARG 35 HH12 ARG 35 16.319 -2.965 0.190 206 1HH2 ARG 35 HH21 ARG 35 17.441 -2.365 -3.070 207 2HH2 ARG 35 HH22 ARG 35 17.853 -2.339 -1.385 208 H ASN 36 HN ASN 36 8.334 -2.963 -3.664 209 HA ASN 36 HA ASN 36 6.245 -3.283 -2.859 210 1HB ASN 36 HB2 ASN 36 6.430 -5.610 -3.606 211 2HB ASN 36 HB1 ASN 36 7.239 -6.044 -2.103 212 1HD2 ASN 36 HD21 ASN 36 4.208 -5.162 -3.576 213 2HD2 ASN 36 HD22 ASN 36 3.206 -5.622 -2.248 214 H THR 37 HN THR 37 8.617 -4.753 -0.658 215 HA THR 37 HA THR 37 7.275 -4.471 1.732 216 HB THR 37 HB THR 37 9.606 -4.486 2.746 217 HG1 THR 37 HG1 THR 37 10.887 -5.249 0.534 218 1HG2 THR 37 HG21 THR 37 10.038 -6.790 2.044 219 2HG2 THR 37 HG22 THR 37 8.937 -6.589 0.680 220 3HG2 THR 37 HG23 THR 37 8.316 -6.536 2.331 221 H GLN 38 HN GLN 38 8.781 -1.931 -0.085 222 HA GLN 38 HA GLN 38 9.472 -0.155 1.938 223 1HB GLN 38 HB2 GLN 38 8.384 0.413 -0.819 224 2HB GLN 38 HB1 GLN 38 9.035 1.647 0.252 225 1HG GLN 38 HG2 GLN 38 10.525 -0.697 -0.906 226 2HG GLN 38 HG1 GLN 38 10.699 0.998 -1.358 227 1HE2 GLN 38 HE21 GLN 38 11.710 2.428 0.092 228 2HE2 GLN 38 HE22 GLN 38 12.732 1.858 1.368 229 H CYS 39 HN CYS 39 6.325 -1.034 0.717 230 HA CYS 39 HA CYS 39 4.886 1.143 1.824 231 1HB CYS 39 HB2 CYS 39 2.903 -0.353 1.569 232 2HB CYS 39 HB1 CYS 39 3.859 -0.201 0.098 233 HG CYS 39 HG CYS 39 4.785 -2.699 0.028 234 H LEU 40 HN LEU 40 5.625 -2.112 2.999 235 HA LEU 40 HA LEU 40 4.080 -1.811 5.354 236 1HB LEU 40 HB2 LEU 40 5.192 -3.926 6.090 237 2HB LEU 40 HB1 LEU 40 4.285 -3.995 4.591 238 HG LEU 40 HG LEU 40 6.645 -3.618 3.489 239 1HD1 LEU 40 HD11 LEU 40 8.443 -4.682 4.762 240 2HD1 LEU 40 HD12 LEU 40 7.373 -4.847 6.154 241 3HD1 LEU 40 HD13 LEU 40 7.844 -3.243 5.588 242 1HD2 LEU 40 HD21 LEU 40 5.827 -6.252 4.719 243 2HD2 LEU 40 HD22 LEU 40 6.934 -6.039 3.364 244 3HD2 LEU 40 HD23 LEU 40 5.237 -5.594 3.194 245 H VAL 41 HN VAL 41 7.520 -1.309 4.676 246 HA VAL 41 HA VAL 41 8.289 -1.160 7.393 247 HB VAL 41 HB VAL 41 10.217 0.255 6.591 248 1HG1 VAL 41 HG11 VAL 41 9.762 -2.426 5.271 249 2HG1 VAL 41 HG12 VAL 41 10.387 -2.156 6.897 250 3HG1 VAL 41 HG13 VAL 41 11.328 -1.645 5.496 251 1HG2 VAL 41 HG21 VAL 41 9.004 1.117 4.558 252 2HG2 VAL 41 HG22 VAL 41 9.222 -0.482 3.839 253 3HG2 VAL 41 HG23 VAL 41 10.629 0.497 4.256 254 H ASP 42 HN ASP 42 7.379 1.463 5.114 255 HA ASP 42 HA ASP 42 7.573 3.439 7.141 256 1HB ASP 42 HB2 ASP 42 7.320 3.599 4.448 257 2HB ASP 42 HB1 ASP 42 5.691 4.042 4.967 258 H ASN 43 HN ASN 43 5.040 1.245 6.197 259 HA ASN 43 HA ASN 43 3.020 2.412 7.795 260 1HB ASN 43 HB2 ASN 43 2.230 0.883 6.219 261 2HB ASN 43 HB1 ASN 43 3.516 -0.279 6.545 262 1HD2 ASN 43 HD21 ASN 43 3.382 -1.595 8.296 263 2HD2 ASN 43 HD22 ASN 43 1.906 -1.864 9.123 264 H LEU 44 HN LEU 44 5.676 0.209 8.338 265 HA LEU 44 HA LEU 44 4.936 -0.641 10.924 266 1HB LEU 44 HB2 LEU 44 6.414 -2.070 9.898 267 2HB LEU 44 HB1 LEU 44 7.390 -0.793 9.247 268 HG LEU 44 HG LEU 44 8.408 -2.349 10.970 269 1HD1 LEU 44 HD11 LEU 44 9.856 -0.723 11.740 270 2HD1 LEU 44 HD12 LEU 44 8.642 0.544 11.681 271 3HD1 LEU 44 HD13 LEU 44 9.292 -0.130 10.186 272 1HD2 LEU 44 HD21 LEU 44 6.845 -0.623 12.883 273 2HD2 LEU 44 HD22 LEU 44 8.079 -1.809 13.309 274 3HD2 LEU 44 HD23 LEU 44 6.566 -2.336 12.577 275 H LEU 45 HN LEU 45 7.235 1.963 9.874 276 HA LEU 45 HA LEU 45 7.762 2.524 12.615 277 1HB LEU 45 HB2 LEU 45 9.289 4.058 11.984 278 2HB LEU 45 HB1 LEU 45 9.186 3.140 10.507 279 HG LEU 45 HG LEU 45 9.375 5.403 9.913 280 1HD1 LEU 45 HD11 LEU 45 6.426 5.036 9.616 281 2HD1 LEU 45 HD12 LEU 45 7.588 3.997 8.782 282 3HD1 LEU 45 HD13 LEU 45 7.609 5.736 8.499 283 1HD2 LEU 45 HD21 LEU 45 7.118 6.033 11.796 284 2HD2 LEU 45 HD22 LEU 45 7.880 7.176 10.689 285 3HD2 LEU 45 HD23 LEU 45 8.818 6.461 12.002 286 H LYS 46 HN LYS 46 5.232 3.487 10.489 287 HA LYS 46 HA LYS 46 4.262 5.610 12.125 288 1HB LYS 46 HB2 LYS 46 3.394 4.170 9.726 289 2HB LYS 46 HB1 LYS 46 2.077 4.737 10.742 290 1HG LYS 46 HG2 LYS 46 2.511 6.408 9.112 291 2HG LYS 46 HG1 LYS 46 3.099 7.013 10.661 292 1HD LYS 46 HD2 LYS 46 5.373 6.404 10.058 293 2HD LYS 46 HD1 LYS 46 4.803 5.731 8.530 294 1HE LYS 46 HE2 LYS 46 3.936 7.999 7.948 295 2HE LYS 46 HE1 LYS 46 4.726 8.613 9.399 296 1HZ LYS 46 HZ1 LYS 46 6.033 8.887 7.330 297 2HZ LYS 46 HZ2 LYS 46 6.159 7.200 7.206 298 3HZ LYS 46 HZ3 LYS 46 6.848 8.016 8.531 299 H ASN 47 HN ASN 47 3.558 2.121 11.973 300 HA ASN 47 HA ASN 47 1.545 2.492 14.079 301 1HB ASN 47 HB2 ASN 47 2.029 0.295 12.098 302 2HB ASN 47 HB1 ASN 47 1.028 0.026 13.523 303 1HD2 ASN 47 HD21 ASN 47 -0.943 1.084 13.704 304 2HD2 ASN 47 HD22 ASN 47 -1.702 1.854 12.352 305 H ASP 48 HN ASP 48 4.706 1.466 13.687 306 HA ASP 48 HA ASP 48 6.289 0.869 15.159 307 1HB ASP 48 HB2 ASP 48 4.140 1.325 17.233 308 2HB ASP 48 HB1 ASP 48 5.852 1.110 17.580 309 H TYR 49 HN TYR 49 4.424 -1.258 14.058 310 HA TYR 49 HA TYR 49 5.907 -3.356 15.133 311 1HB TYR 49 HB2 TYR 49 4.321 -4.694 16.353 312 2HB TYR 49 HB1 TYR 49 4.517 -3.130 17.134 313 HD1 TYR 49 HD1 TYR 49 2.687 -1.473 17.070 314 HD2 TYR 49 HD2 TYR 49 2.203 -5.371 15.430 315 HE1 TYR 49 HE1 TYR 49 0.251 -1.147 17.020 316 HE2 TYR 49 HE2 TYR 49 -0.233 -5.055 15.386 317 HH TYR 49 HH TYR 49 -1.694 -2.024 15.786 318 H PHE 50 HN PHE 50 3.392 -2.275 13.081 319 HA PHE 50 HA PHE 50 2.850 -4.845 11.873 320 1HB PHE 50 HB2 PHE 50 2.181 -1.993 11.178 321 2HB PHE 50 HB1 PHE 50 1.879 -3.298 10.032 322 HD1 PHE 50 HD1 PHE 50 0.317 -1.309 12.301 323 HD2 PHE 50 HD2 PHE 50 0.771 -5.447 11.386 324 HE1 PHE 50 HE1 PHE 50 -1.803 -1.802 13.454 325 HE2 PHE 50 HE2 PHE 50 -1.346 -5.938 12.537 326 HZ PHE 50 HZ PHE 50 -2.686 -4.110 13.479 327 H SER 51 HN SER 51 5.487 -4.603 12.061 328 HA SER 51 HA SER 51 6.733 -3.698 9.658 329 1HB SER 51 HB2 SER 51 8.680 -5.028 10.766 330 2HB SER 51 HB1 SER 51 8.105 -3.544 11.533 331 HG SER 51 HG SER 51 8.332 -5.732 12.746 332 H ALA 52 HN ALA 52 8.370 -5.348 8.755 333 HA ALA 52 HA ALA 52 7.139 -7.328 7.287 334 1HB ALA 52 HB1 ALA 52 10.021 -7.266 8.153 335 2HB ALA 52 HB2 ALA 52 9.347 -6.399 6.774 336 3HB ALA 52 HB3 ALA 52 9.357 -8.164 6.789 337 H GLU 53 HN GLU 53 8.475 -7.528 10.562 338 HA GLU 53 HA GLU 53 8.472 -10.344 10.775 339 1HB GLU 53 HB2 GLU 53 7.948 -8.373 13.007 340 2HB GLU 53 HB1 GLU 53 8.488 -10.034 13.183 341 1HG GLU 53 HG2 GLU 53 10.448 -8.898 13.477 342 2HG GLU 53 HG1 GLU 53 10.509 -9.219 11.744 343 H ASP 54 HN ASP 54 6.004 -7.952 11.705 344 HA ASP 54 HA ASP 54 4.013 -9.835 12.420 345 1HB ASP 54 HB2 ASP 54 3.606 -7.681 13.233 346 2HB ASP 54 HB1 ASP 54 4.011 -6.918 11.699 347 H ALA 55 HN ALA 55 4.809 -8.139 9.464 348 HA ALA 55 HA ALA 55 2.767 -9.051 7.833 349 1HB ALA 55 HB1 ALA 55 4.350 -7.280 7.204 350 2HB ALA 55 HB2 ALA 55 4.233 -8.530 5.964 351 3HB ALA 55 HB3 ALA 55 5.627 -8.488 7.044 352 H GLU 56 HN GLU 56 5.872 -10.544 8.659 353 HA GLU 56 HA GLU 56 5.810 -12.643 6.814 354 1HB GLU 56 HB2 GLU 56 7.828 -12.029 8.061 355 2HB GLU 56 HB1 GLU 56 7.085 -12.585 9.555 356 1HG GLU 56 HG2 GLU 56 7.002 -14.862 8.673 357 2HG GLU 56 HG1 GLU 56 7.739 -14.306 7.172 358 H ILE 57 HN ILE 57 4.461 -12.385 10.060 359 HA ILE 57 HA ILE 57 3.768 -15.079 10.411 360 HB ILE 57 HB ILE 57 2.219 -12.711 11.466 361 1HG1 ILE 57 HG12 ILE 57 4.514 -12.327 12.055 362 2HG1 ILE 57 HG11 ILE 57 3.694 -12.934 13.489 363 1HG2 ILE 57 HG21 ILE 57 1.100 -14.843 11.772 364 2HG2 ILE 57 HG22 ILE 57 1.660 -14.212 13.320 365 3HG2 ILE 57 HG23 ILE 57 2.545 -15.517 12.527 366 1HD1 ILE 57 HD11 ILE 57 5.559 -14.429 11.675 367 2HD1 ILE 57 HD12 ILE 57 4.614 -15.187 12.959 368 3HD1 ILE 57 HD13 ILE 57 5.825 -13.968 13.356 369 H VAL 58 HN VAL 58 1.821 -12.365 9.192 370 HA VAL 58 HA VAL 58 -0.425 -14.015 8.564 371 HB VAL 58 HB VAL 58 0.199 -11.208 7.650 372 1HG1 VAL 58 HG11 VAL 58 -2.184 -11.023 7.187 373 2HG1 VAL 58 HG12 VAL 58 -2.418 -12.708 7.648 374 3HG1 VAL 58 HG13 VAL 58 -1.459 -12.310 6.223 375 1HG2 VAL 58 HG21 VAL 58 -1.462 -12.216 9.958 376 2HG2 VAL 58 HG22 VAL 58 -1.315 -10.531 9.457 377 3HG2 VAL 58 HG23 VAL 58 0.094 -11.392 10.074 378 H CYS 59 HN CYS 59 2.228 -12.659 6.664 379 HA CYS 59 HA CYS 59 1.165 -12.991 4.112 380 1HB CYS 59 HB2 CYS 59 3.375 -12.678 3.259 381 2HB CYS 59 HB1 CYS 59 3.195 -11.660 4.682 382 HG CYS 59 HG CYS 59 4.434 -13.967 6.192 383 H ALA 60 HN ALA 60 2.427 -15.370 6.249 384 HA ALA 60 HA ALA 60 3.374 -17.380 4.676 385 1HB ALA 60 HB1 ALA 60 3.218 -17.488 7.113 386 2HB ALA 60 HB2 ALA 60 2.570 -18.944 6.353 387 3HB ALA 60 HB3 ALA 60 1.473 -17.717 6.990 388 H CYS 61 HN CYS 61 0.057 -16.237 4.762 389 HA CYS 61 HA CYS 61 -0.617 -18.397 2.887 390 1HB CYS 61 HB2 CYS 61 -2.036 -18.389 4.887 391 2HB CYS 61 HB1 CYS 61 -2.521 -16.732 4.546 392 HG CYS 61 HG CYS 61 -4.028 -19.411 3.652 393 HA PRO 62 HA PRO 62 -2.286 -14.657 0.492 394 1HB PRO 62 HB2 PRO 62 -2.356 -12.242 2.063 395 2HB PRO 62 HB1 PRO 62 -3.710 -13.180 1.435 396 1HG PRO 62 HG2 PRO 62 -3.135 -12.946 4.093 397 2HG PRO 62 HG1 PRO 62 -3.956 -14.354 3.390 398 1HD PRO 62 HD2 PRO 62 -1.054 -14.013 4.093 399 2HD PRO 62 HD1 PRO 62 -2.136 -15.387 4.423 400 H THR 63 HN THR 63 0.596 -14.881 1.605 401 HA THR 63 HA THR 63 2.651 -14.010 1.327 402 HB THR 63 HB THR 63 3.159 -12.938 -0.847 403 HG1 THR 63 HG1 THR 63 0.399 -12.683 -0.907 404 1HG2 THR 63 HG21 THR 63 3.161 -15.354 -0.665 405 2HG2 THR 63 HG22 THR 63 2.528 -14.871 -2.239 406 3HG2 THR 63 HG23 THR 63 1.424 -15.403 -0.971 407 H GLN 64 HN GLN 64 3.804 -11.746 0.494 408 HA GLN 64 HA GLN 64 3.201 -9.992 2.623 409 1HB GLN 64 HB2 GLN 64 5.047 -9.618 0.275 410 2HB GLN 64 HB1 GLN 64 4.943 -8.514 1.640 411 1HG GLN 64 HG2 GLN 64 5.527 -10.451 3.124 412 2HG GLN 64 HG1 GLN 64 5.857 -11.377 1.660 413 1HE2 GLN 64 HE21 GLN 64 7.629 -10.815 0.381 414 2HE2 GLN 64 HE22 GLN 64 8.908 -9.820 0.974 415 HA PRO 65 HA PRO 65 1.795 -6.932 -0.909 416 1HB PRO 65 HB2 PRO 65 0.302 -8.223 -2.843 417 2HB PRO 65 HB1 PRO 65 1.967 -7.657 -3.035 418 1HG PRO 65 HG2 PRO 65 0.946 -10.390 -2.384 419 2HG PRO 65 HG1 PRO 65 2.286 -9.910 -3.444 420 1HD PRO 65 HD2 PRO 65 2.736 -10.869 -0.991 421 2HD PRO 65 HD1 PRO 65 3.732 -9.558 -1.660 422 H ASP 66 HN ASP 66 -0.300 -9.834 -0.254 423 HA ASP 66 HA ASP 66 -2.596 -8.153 0.100 424 1HB ASP 66 HB2 ASP 66 -2.002 -11.009 0.753 425 2HB ASP 66 HB1 ASP 66 -3.462 -10.242 1.374 426 H LYS 67 HN LYS 67 -0.167 -9.524 2.229 427 HA LYS 67 HA LYS 67 -1.274 -8.816 4.687 428 1HB LYS 67 HB2 LYS 67 0.601 -10.307 4.627 429 2HB LYS 67 HB1 LYS 67 1.608 -9.088 3.826 430 1HG LYS 67 HG2 LYS 67 2.171 -9.368 6.196 431 2HG LYS 67 HG1 LYS 67 1.623 -7.733 5.827 432 1HD LYS 67 HD2 LYS 67 -0.615 -8.327 6.682 433 2HD LYS 67 HD1 LYS 67 -0.006 -9.926 7.110 434 1HE LYS 67 HE2 LYS 67 -0.098 -8.326 9.017 435 2HE LYS 67 HE1 LYS 67 1.507 -8.983 8.731 436 1HZ LYS 67 HZ1 LYS 67 1.553 -6.623 9.184 437 2HZ LYS 67 HZ2 LYS 67 0.572 -6.321 7.831 438 3HZ LYS 67 HZ3 LYS 67 2.125 -6.956 7.622 439 H VAL 68 HN VAL 68 0.672 -6.912 2.426 440 HA VAL 68 HA VAL 68 0.983 -4.740 4.225 441 HB VAL 68 HB VAL 68 1.832 -3.435 2.385 442 1HG1 VAL 68 HG11 VAL 68 2.769 -6.290 2.415 443 2HG1 VAL 68 HG12 VAL 68 3.365 -4.952 3.396 444 3HG1 VAL 68 HG13 VAL 68 3.651 -4.966 1.656 445 1HG2 VAL 68 HG21 VAL 68 0.977 -5.699 0.588 446 2HG2 VAL 68 HG22 VAL 68 1.942 -4.304 0.105 447 3HG2 VAL 68 HG23 VAL 68 0.273 -4.083 0.630 448 H ARG 69 HN ARG 69 -1.350 -5.297 1.531 449 HA ARG 69 HA ARG 69 -2.658 -2.851 1.831 450 1HB ARG 69 HB2 ARG 69 -4.210 -3.647 0.378 451 2HB ARG 69 HB1 ARG 69 -2.961 -4.848 0.104 452 1HG ARG 69 HG2 ARG 69 -4.763 -6.209 0.301 453 2HG ARG 69 HG1 ARG 69 -4.281 -6.139 1.996 454 1HD ARG 69 HD2 ARG 69 -6.015 -4.687 2.558 455 2HD ARG 69 HD1 ARG 69 -6.249 -4.164 0.889 456 HE ARG 69 HE ARG 69 -6.798 -6.909 1.038 457 1HH1 ARG 69 HH11 ARG 69 -8.162 -3.885 2.255 458 2HH1 ARG 69 HH12 ARG 69 -9.791 -4.492 2.231 459 1HH2 ARG 69 HH21 ARG 69 -8.954 -7.672 1.024 460 2HH2 ARG 69 HH22 ARG 69 -10.244 -6.621 1.548 461 H LYS 70 HN LYS 70 -2.894 -5.846 3.641 462 HA LYS 70 HA LYS 70 -5.150 -5.217 5.180 463 1HB LYS 70 HB2 LYS 70 -4.525 -7.426 5.377 464 2HB LYS 70 HB1 LYS 70 -2.820 -7.038 5.551 465 1HG LYS 70 HG2 LYS 70 -4.459 -6.023 7.743 466 2HG LYS 70 HG1 LYS 70 -4.501 -7.782 7.575 467 1HD LYS 70 HD2 LYS 70 -2.109 -7.894 7.644 468 2HD LYS 70 HD1 LYS 70 -1.972 -6.140 7.643 469 1HE LYS 70 HE2 LYS 70 -1.603 -7.126 9.874 470 2HE LYS 70 HE1 LYS 70 -2.975 -6.019 9.838 471 1HZ LYS 70 HZ1 LYS 70 -3.356 -8.939 9.528 472 2HZ LYS 70 HZ2 LYS 70 -4.487 -7.765 10.000 473 3HZ LYS 70 HZ3 LYS 70 -3.245 -8.222 11.058 474 H ILE 71 HN ILE 71 -1.708 -4.490 5.750 475 HA ILE 71 HA ILE 71 -2.285 -3.290 8.262 476 HB ILE 71 HB ILE 71 0.088 -2.282 7.987 477 1HG1 ILE 71 HG12 ILE 71 0.100 -4.429 5.847 478 2HG1 ILE 71 HG11 ILE 71 0.501 -2.726 5.639 479 1HG2 ILE 71 HG21 ILE 71 -0.534 -5.200 8.312 480 2HG2 ILE 71 HG22 ILE 71 -0.510 -3.957 9.564 481 3HG2 ILE 71 HG23 ILE 71 0.991 -4.447 8.776 482 1HD1 ILE 71 HD11 ILE 71 2.495 -4.233 5.716 483 2HD1 ILE 71 HD12 ILE 71 2.057 -4.631 7.379 484 3HD1 ILE 71 HD13 ILE 71 2.492 -2.977 6.956 485 H LEU 72 HN LEU 72 -1.742 -1.919 5.024 486 HA LEU 72 HA LEU 72 -2.048 0.768 5.903 487 1HB LEU 72 HB2 LEU 72 -2.708 -0.328 3.170 488 2HB LEU 72 HB1 LEU 72 -2.549 1.362 3.599 489 HG LEU 72 HG LEU 72 -0.447 1.289 2.930 490 1HD1 LEU 72 HD11 LEU 72 0.123 0.944 5.261 491 2HD1 LEU 72 HD12 LEU 72 1.269 0.118 4.204 492 3HD1 LEU 72 HD13 LEU 72 0.018 -0.802 5.040 493 1HD2 LEU 72 HD21 LEU 72 -0.725 -1.694 2.741 494 2HD2 LEU 72 HD22 LEU 72 0.552 -0.726 2.001 495 3HD2 LEU 72 HD23 LEU 72 -1.122 -0.537 1.473 496 H ASP 73 HN ASP 73 -4.297 -1.774 5.061 497 HA ASP 73 HA ASP 73 -6.620 -0.196 4.781 498 1HB ASP 73 HB2 ASP 73 -6.047 -2.865 4.501 499 2HB ASP 73 HB1 ASP 73 -7.003 -2.855 5.977 500 H LEU 74 HN LEU 74 -5.091 -1.731 7.557 501 HA LEU 74 HA LEU 74 -7.088 -0.955 9.439 502 1HB LEU 74 HB2 LEU 74 -4.383 -2.160 9.549 503 2HB LEU 74 HB1 LEU 74 -4.917 -1.310 10.993 504 HG LEU 74 HG LEU 74 -6.890 -2.770 11.127 505 1HD1 LEU 74 HD11 LEU 74 -5.676 -4.187 8.760 506 2HD1 LEU 74 HD12 LEU 74 -7.180 -3.266 8.764 507 3HD1 LEU 74 HD13 LEU 74 -7.053 -4.751 9.706 508 1HD2 LEU 74 HD21 LEU 74 -4.259 -4.225 10.917 509 2HD2 LEU 74 HD22 LEU 74 -5.700 -4.833 11.731 510 3HD2 LEU 74 HD23 LEU 74 -4.888 -3.390 12.337 511 H VAL 75 HN VAL 75 -3.971 0.401 8.446 512 HA VAL 75 HA VAL 75 -3.919 2.508 10.328 513 HB VAL 75 HB VAL 75 -2.000 1.656 8.834 514 1HG1 VAL 75 HG11 VAL 75 -3.219 3.639 6.955 515 2HG1 VAL 75 HG12 VAL 75 -3.052 1.903 6.696 516 3HG1 VAL 75 HG13 VAL 75 -1.617 2.923 6.797 517 1HG2 VAL 75 HG21 VAL 75 -2.234 4.623 8.958 518 2HG2 VAL 75 HG22 VAL 75 -0.797 3.623 9.164 519 3HG2 VAL 75 HG23 VAL 75 -2.044 3.650 10.413 520 H GLN 76 HN GLN 76 -5.237 2.230 7.080 521 HA GLN 76 HA GLN 76 -6.799 3.364 5.932 522 1HB GLN 76 HB2 GLN 76 -8.066 3.328 8.048 523 2HB GLN 76 HB1 GLN 76 -7.323 4.853 8.505 524 1HG GLN 76 HG2 GLN 76 -8.393 5.984 6.677 525 2HG GLN 76 HG1 GLN 76 -9.032 4.458 6.062 526 1HE2 GLN 76 HE21 GLN 76 -9.282 6.879 8.547 527 2HE2 GLN 76 HE22 GLN 76 -10.820 6.380 9.158 528 H SER 77 HN SER 77 -4.851 5.520 7.987 529 HA SER 77 HA SER 77 -4.906 7.483 5.804 530 1HB SER 77 HB2 SER 77 -5.777 8.312 7.935 531 2HB SER 77 HB1 SER 77 -4.270 7.877 8.737 532 HG SER 77 HG SER 77 -4.867 10.137 7.490 533 H LYS 78 HN LYS 78 -2.544 6.798 8.426 534 HA LYS 78 HA LYS 78 -0.429 7.964 7.027 535 1HB LYS 78 HB2 LYS 78 -0.657 6.288 9.454 536 2HB LYS 78 HB1 LYS 78 0.943 6.343 8.690 537 1HG LYS 78 HG2 LYS 78 0.609 8.023 10.494 538 2HG LYS 78 HG1 LYS 78 1.068 8.711 8.941 539 1HD LYS 78 HD2 LYS 78 -1.822 8.537 9.704 540 2HD LYS 78 HD1 LYS 78 -0.816 9.824 10.367 541 1HE LYS 78 HE2 LYS 78 -1.194 9.253 7.426 542 2HE LYS 78 HE1 LYS 78 -2.049 10.500 8.330 543 1HZ LYS 78 HZ1 LYS 78 0.907 10.392 8.066 544 2HZ LYS 78 HZ2 LYS 78 -0.022 11.659 8.705 545 3HZ LYS 78 HZ3 LYS 78 -0.097 11.302 7.050 546 H GLY 79 HN GLY 79 -0.859 4.469 7.601 547 1HA GLY 79 HA2 GLY 79 1.309 3.611 6.108 548 2HA GLY 79 HA1 GLY 79 -0.138 2.661 6.407 549 H GLU 80 HN GLU 80 -2.075 3.983 5.043 550 HA GLU 80 HA GLU 80 -1.732 3.268 2.377 551 1HB GLU 80 HB2 GLU 80 -3.945 3.737 3.240 552 2HB GLU 80 HB1 GLU 80 -3.519 5.423 3.520 553 1HG GLU 80 HG2 GLU 80 -3.181 5.711 1.099 554 2HG GLU 80 HG1 GLU 80 -3.700 4.049 0.849 555 H GLU 81 HN GLU 81 -1.350 6.475 3.832 556 HA GLU 81 HA GLU 81 -0.773 7.842 1.424 557 1HB GLU 81 HB2 GLU 81 -1.641 9.010 3.335 558 2HB GLU 81 HB1 GLU 81 -0.309 8.470 4.341 559 1HG GLU 81 HG2 GLU 81 1.227 9.853 3.016 560 2HG GLU 81 HG1 GLU 81 -0.146 10.426 2.064 561 H VAL 82 HN VAL 82 1.260 6.578 4.016 562 HA VAL 82 HA VAL 82 3.671 7.508 2.832 563 HB VAL 82 HB VAL 82 4.845 6.295 4.570 564 1HG1 VAL 82 HG11 VAL 82 3.879 7.462 6.487 565 2HG1 VAL 82 HG12 VAL 82 2.396 7.738 5.571 566 3HG1 VAL 82 HG13 VAL 82 3.908 8.483 5.049 567 1HG2 VAL 82 HG21 VAL 82 3.473 4.277 4.687 568 2HG2 VAL 82 HG22 VAL 82 2.145 5.208 5.369 569 3HG2 VAL 82 HG23 VAL 82 3.648 5.018 6.273 570 H SER 83 HN SER 83 1.895 4.480 2.630 571 HA SER 83 HA SER 83 4.057 2.869 1.801 572 1HB SER 83 HB2 SER 83 2.276 1.376 0.855 573 2HB SER 83 HB1 SER 83 2.032 1.807 2.548 574 HG SER 83 HG SER 83 0.447 3.233 1.936 575 H GLU 84 HN GLU 84 1.568 4.580 -0.141 576 HA GLU 84 HA GLU 84 2.711 3.793 -2.613 577 1HB GLU 84 HB2 GLU 84 1.349 5.665 -3.604 578 2HB GLU 84 HB1 GLU 84 0.424 4.529 -2.621 579 1HG GLU 84 HG2 GLU 84 0.483 6.109 -0.744 580 2HG GLU 84 HG1 GLU 84 1.380 7.250 -1.743 581 H PHE 85 HN PHE 85 3.154 6.596 -0.536 582 HA PHE 85 HA PHE 85 4.817 8.056 -2.253 583 1HB PHE 85 HB2 PHE 85 3.801 8.993 -0.214 584 2HB PHE 85 HB1 PHE 85 4.824 7.956 0.774 585 HD1 PHE 85 HD1 PHE 85 6.940 8.669 1.443 586 HD2 PHE 85 HD2 PHE 85 4.943 10.704 -1.716 587 HE1 PHE 85 HE1 PHE 85 8.680 10.409 1.470 588 HE2 PHE 85 HE2 PHE 85 6.682 12.445 -1.697 589 HZ PHE 85 HZ PHE 85 8.551 12.300 -0.104 590 H PHE 86 HN PHE 86 5.642 5.670 0.275 591 HA PHE 86 HA PHE 86 8.440 6.014 -0.157 592 1HB PHE 86 HB2 PHE 86 6.783 4.805 1.814 593 2HB PHE 86 HB1 PHE 86 7.990 3.621 1.282 594 HD1 PHE 86 HD1 PHE 86 10.022 3.624 2.327 595 HD2 PHE 86 HD2 PHE 86 7.762 7.225 2.211 596 HE1 PHE 86 HE1 PHE 86 11.744 4.744 3.675 597 HE2 PHE 86 HE2 PHE 86 9.481 8.354 3.564 598 HZ PHE 86 HZ PHE 86 11.477 7.115 4.295 599 H LEU 87 HN LEU 87 6.183 3.348 -0.934 600 HA LEU 87 HA LEU 87 8.268 1.697 -1.918 601 1HB LEU 87 HB2 LEU 87 6.649 0.140 -2.455 602 2HB LEU 87 HB1 LEU 87 5.869 1.039 -1.168 603 HG LEU 87 HG LEU 87 4.905 2.379 -3.301 604 1HD1 LEU 87 HD11 LEU 87 5.283 -0.464 -4.234 605 2HD1 LEU 87 HD12 LEU 87 6.035 0.972 -4.931 606 3HD1 LEU 87 HD13 LEU 87 4.285 0.757 -5.028 607 1HD2 LEU 87 HD21 LEU 87 3.806 -0.186 -2.163 608 2HD2 LEU 87 HD22 LEU 87 2.883 1.032 -3.042 609 3HD2 LEU 87 HD23 LEU 87 3.600 1.425 -1.480 610 H TYR 88 HN TYR 88 6.009 3.892 -3.459 611 HA TYR 88 HA TYR 88 7.087 3.411 -6.057 612 1HB TYR 88 HB2 TYR 88 4.940 5.187 -5.002 613 2HB TYR 88 HB1 TYR 88 5.601 5.475 -6.616 614 HD1 TYR 88 HD1 TYR 88 6.190 2.846 -7.594 615 HD2 TYR 88 HD2 TYR 88 2.836 4.133 -5.316 616 HE1 TYR 88 HE1 TYR 88 4.885 0.982 -8.498 617 HE2 TYR 88 HE2 TYR 88 1.506 2.265 -6.223 618 HH TYR 88 HH TYR 88 1.484 0.745 -8.107 619 H LEU 89 HN LEU 89 7.767 5.911 -3.595 620 HA LEU 89 HA LEU 89 9.191 7.596 -5.302 621 1HB LEU 89 HB2 LEU 89 10.437 8.428 -3.462 622 2HB LEU 89 HB1 LEU 89 8.822 8.099 -2.890 623 HG LEU 89 HG LEU 89 9.832 5.903 -1.945 624 1HD1 LEU 89 HD11 LEU 89 11.982 6.010 -3.097 625 2HD1 LEU 89 HD12 LEU 89 12.202 6.067 -1.347 626 3HD1 LEU 89 HD13 LEU 89 12.340 7.543 -2.303 627 1HD2 LEU 89 HD21 LEU 89 10.441 7.045 0.102 628 2HD2 LEU 89 HD22 LEU 89 9.041 7.834 -0.629 629 3HD2 LEU 89 HD23 LEU 89 10.639 8.563 -0.776 630 H LEU 90 HN LEU 90 10.087 4.524 -3.884 631 HA LEU 90 HA LEU 90 12.709 4.403 -4.923 632 1HB LEU 90 HB2 LEU 90 11.198 2.826 -3.296 633 2HB LEU 90 HB1 LEU 90 11.177 1.886 -4.775 634 HG LEU 90 HG LEU 90 12.949 1.141 -3.278 635 1HD1 LEU 90 HD11 LEU 90 13.315 0.911 -5.672 636 2HD1 LEU 90 HD12 LEU 90 14.830 1.235 -4.829 637 3HD1 LEU 90 HD13 LEU 90 14.027 2.524 -5.727 638 1HD2 LEU 90 HD21 LEU 90 14.854 2.584 -2.776 639 2HD2 LEU 90 HD22 LEU 90 13.355 3.232 -2.109 640 3HD2 LEU 90 HD23 LEU 90 14.043 3.931 -3.575 641 H GLN 91 HN GLN 91 9.546 3.486 -6.257 642 HA GLN 91 HA GLN 91 10.677 2.285 -8.587 643 1HB GLN 91 HB2 GLN 91 8.663 1.355 -7.853 644 2HB GLN 91 HB1 GLN 91 7.873 2.908 -7.731 645 1HG GLN 91 HG2 GLN 91 6.973 1.730 -9.588 646 2HG GLN 91 HG1 GLN 91 7.924 3.082 -10.194 647 1HE2 GLN 91 HE21 GLN 91 9.802 2.682 -11.331 648 2HE2 GLN 91 HE22 GLN 91 10.195 1.115 -11.939 649 H GLN 92 HN GLN 92 8.834 5.308 -8.106 650 HA GLN 92 HA GLN 92 10.251 6.980 -9.735 651 1HB GLN 92 HB2 GLN 92 8.388 7.102 -11.661 652 2HB GLN 92 HB1 GLN 92 9.850 6.127 -11.819 653 1HG GLN 92 HG2 GLN 92 8.371 4.221 -10.865 654 2HG GLN 92 HG1 GLN 92 7.031 5.272 -11.326 655 1HE2 GLN 92 HE21 GLN 92 7.855 2.656 -12.402 656 2HE2 GLN 92 HE22 GLN 92 8.101 2.907 -14.092 657 H LEU 93 HN LEU 93 9.771 8.670 -8.575 658 HA LEU 93 HA LEU 93 7.494 9.220 -7.103 659 1HB LEU 93 HB2 LEU 93 9.565 11.026 -8.323 660 2HB LEU 93 HB1 LEU 93 8.238 11.675 -7.387 661 HG LEU 93 HG LEU 93 10.148 11.549 -5.978 662 1HD1 LEU 93 HD11 LEU 93 9.351 9.987 -4.229 663 2HD1 LEU 93 HD12 LEU 93 8.170 9.364 -5.381 664 3HD1 LEU 93 HD13 LEU 93 8.102 11.052 -4.870 665 1HD2 LEU 93 HD21 LEU 93 10.336 8.633 -6.725 666 2HD2 LEU 93 HD22 LEU 93 11.326 9.455 -5.518 667 3HD2 LEU 93 HD23 LEU 93 11.447 9.911 -7.217 668 H ALA 94 HN ALA 94 8.392 10.705 -10.174 669 HA ALA 94 HA ALA 94 6.077 12.232 -10.498 670 1HB ALA 94 HB1 ALA 94 8.048 11.203 -12.523 671 2HB ALA 94 HB2 ALA 94 8.123 12.740 -11.655 672 3HB ALA 94 HB3 ALA 94 6.846 12.458 -12.840 673 H ASP 95 HN ASP 95 6.759 8.919 -11.288 674 HA ASP 95 HA ASP 95 4.705 8.720 -13.259 675 1HB ASP 95 HB2 ASP 95 6.750 7.342 -13.341 676 2HB ASP 95 HB1 ASP 95 6.194 6.490 -11.904 677 H ALA 96 HN ALA 96 5.088 7.716 -9.899 678 HA ALA 96 HA ALA 96 2.580 6.301 -9.873 679 1HB ALA 96 HB1 ALA 96 4.505 5.569 -8.573 680 2HB ALA 96 HB2 ALA 96 3.090 5.864 -7.562 681 3HB ALA 96 HB3 ALA 96 4.404 7.041 -7.608 682 H TYR 97 HN TYR 97 3.741 9.352 -8.358 683 HA TYR 97 HA TYR 97 1.288 9.420 -6.855 684 1HB TYR 97 HB2 TYR 97 3.847 10.381 -6.410 685 2HB TYR 97 HB1 TYR 97 2.869 11.835 -6.623 686 HD1 TYR 97 HD1 TYR 97 3.882 9.335 -4.325 687 HD2 TYR 97 HD2 TYR 97 0.622 11.890 -5.303 688 HE1 TYR 97 HE1 TYR 97 2.983 9.052 -2.056 689 HE2 TYR 97 HE2 TYR 97 -0.280 11.616 -3.035 690 HH TYR 97 HH TYR 97 0.045 9.502 -1.195 691 H VAL 98 HN VAL 98 2.739 11.609 -9.282 692 HA VAL 98 HA VAL 98 0.557 13.425 -9.222 693 HB VAL 98 HB VAL 98 2.491 12.956 -11.504 694 1HG1 VAL 98 HG11 VAL 98 0.535 14.293 -12.113 695 2HG1 VAL 98 HG12 VAL 98 2.008 15.263 -12.113 696 3HG1 VAL 98 HG13 VAL 98 0.868 15.389 -10.772 697 1HG2 VAL 98 HG21 VAL 98 3.695 13.371 -9.423 698 2HG2 VAL 98 HG22 VAL 98 2.731 14.821 -9.147 699 3HG2 VAL 98 HG23 VAL 98 3.835 14.746 -10.518 700 H ASP 99 HN ASP 99 1.277 10.568 -11.054 701 HA ASP 99 HA ASP 99 -0.742 10.941 -13.035 702 1HB ASP 99 HB2 ASP 99 1.484 9.719 -13.291 703 2HB ASP 99 HB1 ASP 99 0.701 8.364 -12.487 704 H LEU 100 HN LEU 100 -1.013 9.994 -9.857 705 HA LEU 100 HA LEU 100 -2.342 7.571 -9.852 706 1HB LEU 100 HB2 LEU 100 -2.369 9.908 -7.999 707 2HB LEU 100 HB1 LEU 100 -3.459 8.569 -7.708 708 HG LEU 100 HG LEU 100 -0.451 8.350 -7.866 709 1HD1 LEU 100 HD11 LEU 100 -2.298 8.300 -5.484 710 2HD1 LEU 100 HD12 LEU 100 -1.165 9.586 -5.893 711 3HD1 LEU 100 HD13 LEU 100 -0.563 7.990 -5.452 712 1HD2 LEU 100 HD21 LEU 100 -1.574 6.309 -8.568 713 2HD2 LEU 100 HD22 LEU 100 -2.563 6.332 -7.108 714 3HD2 LEU 100 HD23 LEU 100 -0.819 6.088 -6.989 715 H ARG 101 HN ARG 101 -3.669 10.497 -11.085 716 HA ARG 101 HA ARG 101 -6.295 10.334 -10.134 717 1HB ARG 101 HB2 ARG 101 -5.072 11.637 -12.527 718 2HB ARG 101 HB1 ARG 101 -6.823 11.556 -12.400 719 1HG ARG 101 HG2 ARG 101 -6.113 13.654 -11.537 720 2HG ARG 101 HG1 ARG 101 -6.651 12.665 -10.182 721 1HD ARG 101 HD2 ARG 101 -4.201 12.040 -9.880 722 2HD ARG 101 HD1 ARG 101 -3.843 13.363 -10.990 723 HE ARG 101 HE ARG 101 -5.501 14.422 -9.055 724 1HH1 ARG 101 HH11 ARG 101 -2.318 12.983 -9.220 725 2HH1 ARG 101 HH12 ARG 101 -1.756 13.732 -7.753 726 1HH2 ARG 101 HH21 ARG 101 -4.778 15.435 -7.144 727 2HH2 ARG 101 HH22 ARG 101 -3.164 15.136 -6.568 728 HA PRO 102 HA PRO 102 -7.474 7.550 -13.923 729 1HB PRO 102 HB2 PRO 102 -5.356 6.338 -15.183 730 2HB PRO 102 HB1 PRO 102 -6.188 7.773 -15.790 731 1HG PRO 102 HG2 PRO 102 -3.635 7.573 -14.248 732 2HG PRO 102 HG1 PRO 102 -4.032 8.610 -15.633 733 1HD PRO 102 HD2 PRO 102 -4.020 9.560 -13.125 734 2HD PRO 102 HD1 PRO 102 -5.200 10.122 -14.325 735 H TRP 103 HN TRP 103 -4.635 6.882 -11.901 736 HA TRP 103 HA TRP 103 -4.456 4.133 -12.283 737 1HB TRP 103 HB2 TRP 103 -3.697 5.852 -9.930 738 2HB TRP 103 HB1 TRP 103 -3.399 4.117 -9.946 739 HD1 TRP 103 HD1 TRP 103 -2.797 6.548 -12.905 740 HE1 TRP 103 HE1 TRP 103 -0.297 6.462 -13.512 741 HE3 TRP 103 HE3 TRP 103 -1.182 3.439 -9.182 742 HZ2 TRP 103 HZ2 TRP 103 2.046 5.229 -12.534 743 HZ3 TRP 103 HZ3 TRP 103 1.207 2.857 -9.086 744 HH2 TRP 103 HH2 TRP 103 2.789 3.736 -10.731 745 H LEU 104 HN LEU 104 -6.134 5.795 -9.577 746 HA LEU 104 HA LEU 104 -7.049 3.312 -8.510 747 1HB LEU 104 HB2 LEU 104 -8.187 6.054 -7.943 748 2HB LEU 104 HB1 LEU 104 -8.483 4.588 -7.018 749 HG LEU 104 HG LEU 104 -6.032 4.557 -6.445 750 1HD1 LEU 104 HD11 LEU 104 -6.120 7.347 -7.575 751 2HD1 LEU 104 HD12 LEU 104 -5.162 5.997 -8.186 752 3HD1 LEU 104 HD13 LEU 104 -4.814 6.679 -6.597 753 1HD2 LEU 104 HD21 LEU 104 -7.664 6.930 -5.561 754 2HD2 LEU 104 HD22 LEU 104 -6.269 6.266 -4.711 755 3HD2 LEU 104 HD23 LEU 104 -7.735 5.304 -4.884 756 H LEU 105 HN LEU 105 -8.310 5.614 -10.772 757 HA LEU 105 HA LEU 105 -11.011 4.724 -10.727 758 1HB LEU 105 HB2 LEU 105 -9.388 6.495 -12.502 759 2HB LEU 105 HB1 LEU 105 -10.965 5.959 -13.042 760 HG LEU 105 HG LEU 105 -11.045 8.193 -12.031 761 1HD1 LEU 105 HD11 LEU 105 -12.455 6.089 -10.408 762 2HD1 LEU 105 HD12 LEU 105 -13.008 6.769 -11.938 763 3HD1 LEU 105 HD13 LEU 105 -12.899 7.794 -10.506 764 1HD2 LEU 105 HD21 LEU 105 -10.186 6.814 -9.491 765 2HD2 LEU 105 HD22 LEU 105 -10.713 8.491 -9.631 766 3HD2 LEU 105 HD23 LEU 105 -9.226 7.965 -10.421 767 H GLU 106 HN GLU 106 -8.161 3.840 -12.569 768 HA GLU 106 HA GLU 106 -9.351 2.566 -14.728 769 1HB GLU 106 HB2 GLU 106 -6.749 1.944 -13.336 770 2HB GLU 106 HB1 GLU 106 -7.238 1.218 -14.860 771 1HG GLU 106 HG2 GLU 106 -7.390 3.506 -15.825 772 2HG GLU 106 HG1 GLU 106 -6.716 4.129 -14.317 773 H ILE 107 HN ILE 107 -8.483 1.157 -11.563 774 HA ILE 107 HA ILE 107 -9.834 -1.294 -12.384 775 HB ILE 107 HB ILE 107 -9.082 -2.136 -10.095 776 1HG1 ILE 107 HG12 ILE 107 -6.894 -0.832 -9.429 777 2HG1 ILE 107 HG11 ILE 107 -7.716 0.531 -10.179 778 1HG2 ILE 107 HG21 ILE 107 -6.800 -2.568 -10.915 779 2HG2 ILE 107 HG22 ILE 107 -7.048 -1.358 -12.175 780 3HG2 ILE 107 HG23 ILE 107 -8.032 -2.820 -12.150 781 1HD1 ILE 107 HD11 ILE 107 -8.025 0.456 -7.756 782 2HD1 ILE 107 HD12 ILE 107 -8.811 -1.115 -7.913 783 3HD1 ILE 107 HD13 ILE 107 -9.549 0.318 -8.626 784 H GLY 108 HN GLY 108 -10.281 1.433 -10.214 785 1HA GLY 108 HA2 GLY 108 -12.343 2.314 -9.644 786 2HA GLY 108 HA1 GLY 108 -13.113 0.932 -10.397 787 H PHE 109 HN PHE 109 -11.324 -0.810 -8.587 788 HA PHE 109 HA PHE 109 -13.155 -1.452 -6.634 789 1HB PHE 109 HB2 PHE 109 -10.147 -1.760 -6.548 790 2HB PHE 109 HB1 PHE 109 -11.259 -2.538 -5.428 791 HD1 PHE 109 HD1 PHE 109 -9.876 -2.559 -8.789 792 HD2 PHE 109 HD2 PHE 109 -12.734 -4.330 -6.183 793 HE1 PHE 109 HE1 PHE 109 -10.099 -4.461 -10.334 794 HE2 PHE 109 HE2 PHE 109 -12.964 -6.232 -7.724 795 HZ PHE 109 HZ PHE 109 -11.645 -6.300 -9.802 796 H SER 110 HN SER 110 -14.005 -0.046 -5.251 797 HA SER 110 HA SER 110 -12.231 1.146 -3.277 798 1HB SER 110 HB2 SER 110 -14.340 2.776 -4.723 799 2HB SER 110 HB1 SER 110 -13.285 3.345 -3.428 800 HG SER 110 HG SER 110 -11.720 2.318 -5.280 Start of MODEL 10 1 1H GLY 12 HT1 GLY 12 -12.317 14.586 2.738 2 2H GLY 12 HT2 GLY 12 -11.991 12.931 2.561 3 3H GLY 12 HT3 GLY 12 -13.094 13.458 3.739 4 1HA GLY 12 HA1 GLY 12 -14.584 14.268 2.016 5 2HA GLY 12 HA2 GLY 12 -13.446 13.698 0.803 6 H ALA 13 HN ALA 13 -13.541 11.614 0.145 7 HA ALA 13 HA ALA 13 -15.583 9.940 1.461 8 1HB ALA 13 HB1 ALA 13 -16.205 10.637 -0.793 9 2HB ALA 13 HB2 ALA 13 -15.937 8.894 -0.727 10 3HB ALA 13 HB3 ALA 13 -14.710 9.949 -1.428 11 H MET 14 HN MET 14 -12.664 10.154 2.043 12 HA MET 14 HA MET 14 -11.531 7.670 1.079 13 1HB MET 14 HB2 MET 14 -10.176 9.748 1.405 14 2HB MET 14 HB1 MET 14 -10.442 9.602 3.135 15 1HG MET 14 HG2 MET 14 -9.289 7.427 3.105 16 2HG MET 14 HG1 MET 14 -8.974 7.642 1.384 17 1HE MET 14 HE1 MET 14 -6.589 10.722 1.339 18 2HE MET 14 HE2 MET 14 -8.343 10.710 1.146 19 3HE MET 14 HE3 MET 14 -7.362 9.460 0.380 20 H GLU 15 HN GLU 15 -13.853 7.143 2.399 21 HA GLU 15 HA GLU 15 -13.014 6.130 5.030 22 1HB GLU 15 HB2 GLU 15 -15.396 6.023 5.588 23 2HB GLU 15 HB1 GLU 15 -14.934 7.646 5.094 24 1HG GLU 15 HG2 GLU 15 -15.895 7.281 2.903 25 2HG GLU 15 HG1 GLU 15 -16.304 5.623 3.338 26 H SER 16 HN SER 16 -14.356 5.237 1.925 27 HA SER 16 HA SER 16 -15.077 2.571 2.758 28 1HB SER 16 HB2 SER 16 -15.019 3.743 -0.033 29 2HB SER 16 HB1 SER 16 -15.869 2.288 0.486 30 HG SER 16 HG SER 16 -17.349 3.484 1.523 31 H HIS 17 HN HIS 17 -12.266 3.414 2.911 32 HA HIS 17 HA HIS 17 -10.163 2.656 2.489 33 1HB HIS 17 HB2 HIS 17 -11.617 0.131 1.672 34 2HB HIS 17 HB1 HIS 17 -9.916 0.244 2.098 35 HD1 HIS 17 HD1 HIS 17 -9.446 -0.512 4.388 36 HD2 HIS 17 HD2 HIS 17 -13.302 1.007 4.036 37 HE1 HIS 17 HE1 HIS 17 -10.503 -0.792 6.658 38 HE2 HIS 17 HE2 HIS 17 -12.909 -0.106 6.333 39 HA PRO 18 HA PRO 18 -11.224 2.967 -2.149 40 1HB PRO 18 HB2 PRO 18 -10.337 5.735 -2.199 41 2HB PRO 18 HB1 PRO 18 -11.917 5.067 -2.599 42 1HG PRO 18 HG2 PRO 18 -11.480 6.614 -0.411 43 2HG PRO 18 HG1 PRO 18 -12.726 5.352 -0.471 44 1HD PRO 18 HD2 PRO 18 -9.990 5.259 0.752 45 2HD PRO 18 HD1 PRO 18 -11.530 4.641 1.389 46 H HIS 19 HN HIS 19 -8.643 5.213 -1.156 47 HA HIS 19 HA HIS 19 -6.963 4.494 -3.317 48 1HB HIS 19 HB2 HIS 19 -6.922 6.701 -2.179 49 2HB HIS 19 HB1 HIS 19 -6.264 5.930 -0.742 50 HD1 HIS 19 HD1 HIS 19 -3.964 6.847 -0.594 51 HD2 HIS 19 HD2 HIS 19 -4.887 5.595 -4.453 52 HE1 HIS 19 HE1 HIS 19 -1.857 7.149 -1.932 53 HE2 HIS 19 HE2 HIS 19 -2.401 6.292 -4.242 54 H ILE 20 HN ILE 20 -7.275 3.395 -0.015 55 HA ILE 20 HA ILE 20 -4.912 1.914 0.265 56 HB ILE 20 HB ILE 20 -7.634 1.126 1.298 57 1HG1 ILE 20 HG12 ILE 20 -5.606 2.944 2.619 58 2HG1 ILE 20 HG11 ILE 20 -7.093 3.490 1.852 59 1HG2 ILE 20 HG21 ILE 20 -4.919 0.608 2.498 60 2HG2 ILE 20 HG22 ILE 20 -5.801 -0.544 1.495 61 3HG2 ILE 20 HG23 ILE 20 -6.470 -0.030 3.044 62 1HD1 ILE 20 HD11 ILE 20 -6.890 1.693 4.259 63 2HD1 ILE 20 HD12 ILE 20 -8.390 2.206 3.484 64 3HD1 ILE 20 HD13 ILE 20 -7.344 3.398 4.256 65 H GLN 21 HN GLN 21 -8.096 0.986 -0.956 66 HA GLN 21 HA GLN 21 -7.470 -1.755 -1.233 67 1HB GLN 21 HB2 GLN 21 -9.773 -0.264 -1.229 68 2HB GLN 21 HB1 GLN 21 -9.656 -0.773 -2.907 69 1HG GLN 21 HG2 GLN 21 -10.984 -2.320 -1.578 70 2HG GLN 21 HG1 GLN 21 -9.543 -3.091 -2.236 71 1HE2 GLN 21 HE21 GLN 21 -9.415 -0.931 0.503 72 2HE2 GLN 21 HE22 GLN 21 -9.051 -2.128 1.690 73 H LEU 22 HN LEU 22 -7.351 0.978 -3.437 74 HA LEU 22 HA LEU 22 -7.262 -0.472 -5.820 75 1HB LEU 22 HB2 LEU 22 -6.928 1.495 -6.877 76 2HB LEU 22 HB1 LEU 22 -7.486 2.103 -5.335 77 HG LEU 22 HG LEU 22 -4.915 2.248 -4.802 78 1HD1 LEU 22 HD11 LEU 22 -4.959 2.407 -7.816 79 2HD1 LEU 22 HD12 LEU 22 -4.179 1.144 -6.864 80 3HD1 LEU 22 HD13 LEU 22 -3.590 2.804 -6.777 81 1HD2 LEU 22 HD21 LEU 22 -6.474 4.121 -4.873 82 2HD2 LEU 22 HD22 LEU 22 -6.346 4.166 -6.632 83 3HD2 LEU 22 HD23 LEU 22 -4.940 4.542 -5.636 84 H LEU 23 HN LEU 23 -4.596 0.598 -3.715 85 HA LEU 23 HA LEU 23 -2.502 -0.333 -5.308 86 1HB LEU 23 HB2 LEU 23 -2.808 0.157 -2.382 87 2HB LEU 23 HB1 LEU 23 -1.360 -0.638 -2.969 88 HG LEU 23 HG LEU 23 -1.022 1.358 -4.481 89 1HD1 LEU 23 HD11 LEU 23 -2.110 3.435 -3.878 90 2HD1 LEU 23 HD12 LEU 23 -3.099 2.584 -2.691 91 3HD1 LEU 23 HD13 LEU 23 -3.290 2.236 -4.409 92 1HD2 LEU 23 HD21 LEU 23 -0.091 2.746 -2.685 93 2HD2 LEU 23 HD22 LEU 23 0.288 1.036 -2.471 94 3HD2 LEU 23 HD23 LEU 23 -0.979 1.787 -1.501 95 H LYS 24 HN LYS 24 -4.306 -1.990 -2.728 96 HA LYS 24 HA LYS 24 -2.801 -4.383 -2.963 97 1HB LYS 24 HB2 LYS 24 -3.871 -4.992 -1.119 98 2HB LYS 24 HB1 LYS 24 -4.627 -3.416 -1.131 99 1HG LYS 24 HG2 LYS 24 -6.432 -4.823 -0.871 100 2HG LYS 24 HG1 LYS 24 -6.416 -4.599 -2.624 101 1HD LYS 24 HD2 LYS 24 -5.104 -6.708 -2.818 102 2HD LYS 24 HD1 LYS 24 -5.295 -6.941 -1.079 103 1HE LYS 24 HE2 LYS 24 -7.707 -7.021 -1.341 104 2HE LYS 24 HE1 LYS 24 -7.543 -6.718 -3.071 105 1HZ LYS 24 HZ1 LYS 24 -6.524 -8.816 -3.386 106 2HZ LYS 24 HZ2 LYS 24 -7.889 -9.097 -2.416 107 3HZ LYS 24 HZ3 LYS 24 -6.340 -9.075 -1.717 108 H SER 25 HN SER 25 -5.736 -3.239 -4.548 109 HA SER 25 HA SER 25 -6.565 -5.698 -5.603 110 1HB SER 25 HB2 SER 25 -6.858 -2.933 -6.804 111 2HB SER 25 HB1 SER 25 -7.769 -4.361 -7.295 112 HG SER 25 HG SER 25 -7.845 -3.004 -4.806 113 H ASN 26 HN ASN 26 -4.221 -3.340 -6.805 114 HA ASN 26 HA ASN 26 -3.248 -5.452 -8.600 115 1HB ASN 26 HB2 ASN 26 -1.927 -3.542 -9.695 116 2HB ASN 26 HB1 ASN 26 -3.659 -3.595 -9.982 117 1HD2 ASN 26 HD21 ASN 26 -2.045 -2.402 -7.055 118 2HD2 ASN 26 HD22 ASN 26 -2.602 -0.773 -7.234 119 H ARG 27 HN ARG 27 -2.735 -5.871 -6.063 120 HA ARG 27 HA ARG 27 -0.565 -4.597 -4.853 121 1HB ARG 27 HB2 ARG 27 -0.470 -6.563 -3.397 122 2HB ARG 27 HB1 ARG 27 -2.115 -5.989 -3.602 123 1HG ARG 27 HG2 ARG 27 -2.006 -7.849 -5.549 124 2HG ARG 27 HG1 ARG 27 -0.856 -8.533 -4.401 125 1HD ARG 27 HD2 ARG 27 -2.767 -7.990 -2.677 126 2HD ARG 27 HD1 ARG 27 -3.783 -8.059 -4.113 127 HE ARG 27 HE ARG 27 -2.929 -10.240 -2.666 128 1HH1 ARG 27 HH11 ARG 27 -2.883 -9.291 -6.068 129 2HH1 ARG 27 HH12 ARG 27 -2.779 -10.933 -6.630 130 1HH2 ARG 27 HH21 ARG 27 -2.874 -12.336 -3.407 131 2HH2 ARG 27 HH22 ARG 27 -2.823 -12.677 -5.110 132 H GLU 28 HN GLU 28 -0.676 -7.533 -6.775 133 HA GLU 28 HA GLU 28 2.010 -8.240 -6.559 134 1HB GLU 28 HB2 GLU 28 0.083 -8.779 -8.824 135 2HB GLU 28 HB1 GLU 28 1.611 -9.617 -8.565 136 1HG GLU 28 HG2 GLU 28 0.783 -10.413 -6.390 137 2HG GLU 28 HG1 GLU 28 -0.760 -9.616 -6.705 138 H LEU 29 HN LEU 29 0.383 -6.001 -8.711 139 HA LEU 29 HA LEU 29 2.522 -5.479 -10.457 140 1HB LEU 29 HB2 LEU 29 0.211 -4.737 -10.862 141 2HB LEU 29 HB1 LEU 29 0.336 -3.617 -9.519 142 HG LEU 29 HG LEU 29 2.123 -2.398 -10.736 143 1HD1 LEU 29 HD11 LEU 29 1.410 -4.250 -13.010 144 2HD1 LEU 29 HD12 LEU 29 2.933 -4.242 -12.118 145 3HD1 LEU 29 HD13 LEU 29 2.480 -2.851 -13.103 146 1HD2 LEU 29 HD21 LEU 29 -0.212 -1.674 -10.854 147 2HD2 LEU 29 HD22 LEU 29 -0.463 -2.709 -12.260 148 3HD2 LEU 29 HD23 LEU 29 0.647 -1.342 -12.357 149 H LEU 30 HN LEU 30 1.675 -4.104 -7.308 150 HA LEU 30 HA LEU 30 3.827 -2.241 -7.269 151 1HB LEU 30 HB2 LEU 30 2.001 -3.329 -5.168 152 2HB LEU 30 HB1 LEU 30 3.416 -2.403 -4.704 153 HG LEU 30 HG LEU 30 2.571 -0.511 -6.106 154 1HD1 LEU 30 HD11 LEU 30 0.250 -0.507 -6.808 155 2HD1 LEU 30 HD12 LEU 30 0.065 -2.176 -6.269 156 3HD1 LEU 30 HD13 LEU 30 1.141 -1.798 -7.615 157 1HD2 LEU 30 HD21 LEU 30 0.746 -1.488 -3.914 158 2HD2 LEU 30 HD22 LEU 30 0.849 0.169 -4.511 159 3HD2 LEU 30 HD23 LEU 30 2.234 -0.565 -3.700 160 H VAL 31 HN VAL 31 3.459 -5.568 -6.188 161 HA VAL 31 HA VAL 31 5.840 -5.848 -4.761 162 HB VAL 31 HB VAL 31 4.439 -7.923 -6.461 163 1HG1 VAL 31 HG11 VAL 31 6.723 -8.598 -5.959 164 2HG1 VAL 31 HG12 VAL 31 5.575 -9.568 -5.034 165 3HG1 VAL 31 HG13 VAL 31 6.463 -8.261 -4.248 166 1HG2 VAL 31 HG21 VAL 31 4.208 -7.278 -3.524 167 2HG2 VAL 31 HG22 VAL 31 3.429 -8.635 -4.339 168 3HG2 VAL 31 HG23 VAL 31 2.985 -6.978 -4.756 169 H THR 32 HN THR 32 5.186 -6.434 -8.199 170 HA THR 32 HA THR 32 7.877 -7.021 -8.873 171 HB THR 32 HB THR 32 6.191 -7.909 -10.292 172 HG1 THR 32 HG1 THR 32 7.905 -7.503 -11.564 173 1HG2 THR 32 HG21 THR 32 5.214 -5.087 -10.476 174 2HG2 THR 32 HG22 THR 32 4.319 -6.573 -10.153 175 3HG2 THR 32 HG23 THR 32 4.890 -6.227 -11.784 176 H HIS 33 HN HIS 33 6.100 -4.051 -8.563 177 HA HIS 33 HA HIS 33 7.268 -2.314 -10.290 178 1HB HIS 33 HB2 HIS 33 6.169 -1.975 -7.549 179 2HB HIS 33 HB1 HIS 33 7.130 -0.640 -8.198 180 HD1 HIS 33 HD1 HIS 33 6.075 -1.125 -11.213 181 HD2 HIS 33 HD2 HIS 33 3.777 -0.550 -7.786 182 HE1 HIS 33 HE1 HIS 33 3.866 -0.225 -12.012 183 HE2 HIS 33 HE2 HIS 33 2.555 0.249 -9.918 184 H ILE 34 HN ILE 34 8.716 -3.328 -7.197 185 HA ILE 34 HA ILE 34 11.315 -2.790 -8.192 186 HB ILE 34 HB ILE 34 10.764 -0.475 -7.825 187 1HG1 ILE 34 HG12 ILE 34 12.535 0.155 -6.206 188 2HG1 ILE 34 HG11 ILE 34 12.604 -1.518 -5.662 189 1HG2 ILE 34 HG21 ILE 34 8.969 -0.716 -6.217 190 2HG2 ILE 34 HG22 ILE 34 10.184 0.415 -5.621 191 3HG2 ILE 34 HG23 ILE 34 10.120 -1.227 -4.982 192 1HD1 ILE 34 HD11 ILE 34 14.411 -1.028 -7.194 193 2HD1 ILE 34 HD12 ILE 34 13.255 -0.527 -8.427 194 3HD1 ILE 34 HD13 ILE 34 13.305 -2.208 -7.899 195 H ARG 35 HN ARG 35 9.367 -3.195 -5.233 196 HA ARG 35 HA ARG 35 10.993 -5.334 -4.335 197 1HB ARG 35 HB2 ARG 35 11.789 -4.135 -2.220 198 2HB ARG 35 HB1 ARG 35 12.649 -3.792 -3.715 199 1HG ARG 35 HG2 ARG 35 11.034 -1.764 -3.849 200 2HG ARG 35 HG1 ARG 35 10.809 -2.066 -2.124 201 1HD ARG 35 HD2 ARG 35 13.338 -1.368 -3.589 202 2HD ARG 35 HD1 ARG 35 12.562 -0.497 -2.267 203 HE ARG 35 HE ARG 35 13.150 -2.808 -1.071 204 1HH1 ARG 35 HH11 ARG 35 15.100 -0.742 -3.119 205 2HH1 ARG 35 HH12 ARG 35 16.605 -1.232 -2.412 206 1HH2 ARG 35 HH21 ARG 35 15.127 -3.458 -0.134 207 2HH2 ARG 35 HH22 ARG 35 16.624 -2.794 -0.732 208 H ASN 36 HN ASN 36 8.672 -2.849 -3.476 209 HA ASN 36 HA ASN 36 6.771 -2.837 -2.247 210 1HB ASN 36 HB2 ASN 36 6.419 -4.902 -3.781 211 2HB ASN 36 HB1 ASN 36 6.709 -5.843 -2.321 212 1HD2 ASN 36 HD21 ASN 36 5.180 -5.811 -0.668 213 2HD2 ASN 36 HD22 ASN 36 3.591 -5.171 -0.895 214 H THR 37 HN THR 37 9.495 -3.385 -0.997 215 HA THR 37 HA THR 37 8.631 -4.527 1.564 216 HB THR 37 HB THR 37 11.170 -4.447 2.012 217 HG1 THR 37 HG1 THR 37 12.365 -4.526 -0.048 218 1HG2 THR 37 HG21 THR 37 11.541 -6.554 0.825 219 2HG2 THR 37 HG22 THR 37 10.125 -6.249 -0.181 220 3HG2 THR 37 HG23 THR 37 9.934 -6.522 1.551 221 H GLN 38 HN GLN 38 10.499 -1.860 0.213 222 HA GLN 38 HA GLN 38 10.878 -0.319 2.468 223 1HB GLN 38 HB2 GLN 38 10.594 0.367 -0.446 224 2HB GLN 38 HB1 GLN 38 10.968 1.600 0.759 225 1HG GLN 38 HG2 GLN 38 12.599 -0.839 0.084 226 2HG GLN 38 HG1 GLN 38 12.982 0.835 -0.311 227 1HE2 GLN 38 HE21 GLN 38 14.482 -1.158 1.216 228 2HE2 GLN 38 HE22 GLN 38 14.782 -0.438 2.759 229 H CYS 39 HN CYS 39 7.990 -0.711 0.563 230 HA CYS 39 HA CYS 39 6.682 1.663 1.369 231 1HB CYS 39 HB2 CYS 39 4.631 0.440 0.598 232 2HB CYS 39 HB1 CYS 39 5.925 0.532 -0.586 233 HG CYS 39 HG CYS 39 4.480 -1.984 -0.536 234 H LEU 40 HN LEU 40 6.576 -1.665 2.590 235 HA LEU 40 HA LEU 40 4.586 -1.095 4.527 236 1HB LEU 40 HB2 LEU 40 5.177 -3.354 5.457 237 2HB LEU 40 HB1 LEU 40 4.616 -3.300 3.797 238 HG LEU 40 HG LEU 40 7.185 -3.301 3.242 239 1HD1 LEU 40 HD11 LEU 40 7.132 -4.621 5.955 240 2HD1 LEU 40 HD12 LEU 40 7.920 -3.091 5.568 241 3HD1 LEU 40 HD13 LEU 40 8.494 -4.588 4.835 242 1HD2 LEU 40 HD21 LEU 40 5.592 -5.027 2.588 243 2HD2 LEU 40 HD22 LEU 40 5.712 -5.759 4.188 244 3HD2 LEU 40 HD23 LEU 40 7.116 -5.737 3.120 245 H VAL 41 HN VAL 41 8.094 -1.042 4.631 246 HA VAL 41 HA VAL 41 8.325 -1.082 7.442 247 HB VAL 41 HB VAL 41 10.555 -0.100 7.158 248 1HG1 VAL 41 HG11 VAL 41 9.907 -2.326 5.225 249 2HG1 VAL 41 HG12 VAL 41 10.272 -2.500 6.942 250 3HG1 VAL 41 HG13 VAL 41 11.517 -1.931 5.829 251 1HG2 VAL 41 HG21 VAL 41 9.569 0.344 4.372 252 2HG2 VAL 41 HG22 VAL 41 11.290 0.047 4.663 253 3HG2 VAL 41 HG23 VAL 41 10.491 1.417 5.434 254 H ASP 42 HN ASP 42 8.066 1.721 5.187 255 HA ASP 42 HA ASP 42 8.191 3.646 7.284 256 1HB ASP 42 HB2 ASP 42 8.343 4.024 4.704 257 2HB ASP 42 HB1 ASP 42 6.587 4.128 4.788 258 H ASN 43 HN ASN 43 5.637 1.720 5.932 259 HA ASN 43 HA ASN 43 3.485 2.859 7.342 260 1HB ASN 43 HB2 ASN 43 2.790 1.515 5.600 261 2HB ASN 43 HB1 ASN 43 4.039 0.303 5.889 262 1HD2 ASN 43 HD21 ASN 43 3.759 -1.184 7.520 263 2HD2 ASN 43 HD22 ASN 43 2.199 -1.560 8.130 264 H LEU 44 HN LEU 44 6.047 0.709 8.200 265 HA LEU 44 HA LEU 44 4.710 -0.577 10.397 266 1HB LEU 44 HB2 LEU 44 6.441 -2.001 10.351 267 2HB LEU 44 HB1 LEU 44 6.923 -1.187 8.881 268 HG LEU 44 HG LEU 44 8.248 0.371 10.558 269 1HD1 LEU 44 HD11 LEU 44 8.072 -2.201 12.087 270 2HD1 LEU 44 HD12 LEU 44 7.307 -0.685 12.567 271 3HD1 LEU 44 HD13 LEU 44 9.068 -0.806 12.499 272 1HD2 LEU 44 HD21 LEU 44 10.175 -1.240 10.417 273 2HD2 LEU 44 HD22 LEU 44 9.399 -0.845 8.888 274 3HD2 LEU 44 HD23 LEU 44 9.058 -2.386 9.674 275 H LEU 45 HN LEU 45 7.173 1.879 9.943 276 HA LEU 45 HA LEU 45 7.509 2.676 12.590 277 1HB LEU 45 HB2 LEU 45 9.023 3.512 11.030 278 2HB LEU 45 HB1 LEU 45 7.771 3.963 9.900 279 HG LEU 45 HG LEU 45 9.073 5.843 10.953 280 1HD1 LEU 45 HD11 LEU 45 6.308 5.594 10.342 281 2HD1 LEU 45 HD12 LEU 45 7.364 7.022 10.220 282 3HD1 LEU 45 HD13 LEU 45 6.492 6.700 11.721 283 1HD2 LEU 45 HD21 LEU 45 7.413 5.162 13.373 284 2HD2 LEU 45 HD22 LEU 45 8.444 6.579 13.175 285 3HD2 LEU 45 HD23 LEU 45 9.161 4.968 13.237 286 H LYS 46 HN LYS 46 5.036 3.481 10.229 287 HA LYS 46 HA LYS 46 3.839 5.542 11.772 288 1HB LYS 46 HB2 LYS 46 3.439 4.255 9.189 289 2HB LYS 46 HB1 LYS 46 1.923 4.717 9.965 290 1HG LYS 46 HG2 LYS 46 2.445 6.589 8.709 291 2HG LYS 46 HG1 LYS 46 3.085 7.014 10.296 292 1HD LYS 46 HD2 LYS 46 5.316 6.248 9.557 293 2HD LYS 46 HD1 LYS 46 4.650 5.939 7.955 294 1HE LYS 46 HE2 LYS 46 4.028 8.325 7.797 295 2HE LYS 46 HE1 LYS 46 4.803 8.605 9.355 296 1HZ LYS 46 HZ1 LYS 46 6.914 7.980 8.426 297 2HZ LYS 46 HZ2 LYS 46 6.221 9.166 7.433 298 3HZ LYS 46 HZ3 LYS 46 6.197 7.538 6.953 299 H ASN 47 HN ASN 47 3.304 2.067 11.549 300 HA ASN 47 HA ASN 47 0.913 2.330 13.243 301 1HB ASN 47 HB2 ASN 47 1.984 0.039 11.601 302 2HB ASN 47 HB1 ASN 47 0.673 -0.160 12.759 303 1HD2 ASN 47 HD21 ASN 47 1.637 1.211 9.722 304 2HD2 ASN 47 HD22 ASN 47 0.045 1.576 9.160 305 H ASP 48 HN ASP 48 4.180 1.550 13.390 306 HA ASP 48 HA ASP 48 5.584 1.120 15.080 307 1HB ASP 48 HB2 ASP 48 4.018 2.756 16.247 308 2HB ASP 48 HB1 ASP 48 3.266 1.353 16.996 309 H TYR 49 HN TYR 49 4.016 -1.123 13.849 310 HA TYR 49 HA TYR 49 5.499 -3.114 15.035 311 1HB TYR 49 HB2 TYR 49 3.986 -4.508 16.265 312 2HB TYR 49 HB1 TYR 49 4.007 -2.909 16.994 313 HD1 TYR 49 HD1 TYR 49 2.051 -1.394 16.678 314 HD2 TYR 49 HD2 TYR 49 1.973 -5.454 15.411 315 HE1 TYR 49 HE1 TYR 49 -0.398 -1.292 16.524 316 HE2 TYR 49 HE2 TYR 49 -0.479 -5.363 15.255 317 HH TYR 49 HH TYR 49 -2.213 -2.377 15.485 318 H PHE 50 HN PHE 50 2.855 -2.185 13.057 319 HA PHE 50 HA PHE 50 2.499 -4.688 11.709 320 1HB PHE 50 HB2 PHE 50 1.714 -1.843 11.161 321 2HB PHE 50 HB1 PHE 50 1.501 -3.076 9.923 322 HD1 PHE 50 HD1 PHE 50 -0.279 -1.309 12.138 323 HD2 PHE 50 HD2 PHE 50 0.552 -5.391 11.253 324 HE1 PHE 50 HE1 PHE 50 -2.400 -1.977 13.198 325 HE2 PHE 50 HE2 PHE 50 -1.562 -6.060 12.313 326 HZ PHE 50 HZ PHE 50 -3.062 -4.373 13.231 327 H SER 51 HN SER 51 5.089 -4.486 11.895 328 HA SER 51 HA SER 51 6.289 -3.400 9.513 329 1HB SER 51 HB2 SER 51 8.370 -4.311 10.452 330 2HB SER 51 HB1 SER 51 7.504 -3.315 11.624 331 HG SER 51 HG SER 51 8.044 -5.122 12.689 332 H ALA 52 HN ALA 52 8.034 -4.960 8.610 333 HA ALA 52 HA ALA 52 6.908 -6.964 7.064 334 1HB ALA 52 HB1 ALA 52 9.785 -6.710 7.937 335 2HB ALA 52 HB2 ALA 52 9.049 -5.929 6.538 336 3HB ALA 52 HB3 ALA 52 9.196 -7.685 6.591 337 H GLU 53 HN GLU 53 8.191 -7.143 10.337 338 HA GLU 53 HA GLU 53 8.379 -9.969 10.474 339 1HB GLU 53 HB2 GLU 53 9.496 -8.448 12.057 340 2HB GLU 53 HB1 GLU 53 7.932 -7.951 12.684 341 1HG GLU 53 HG2 GLU 53 8.627 -10.838 12.758 342 2HG GLU 53 HG1 GLU 53 9.415 -9.753 13.900 343 H ASP 54 HN ASP 54 5.834 -7.727 11.583 344 HA ASP 54 HA ASP 54 3.906 -9.698 12.204 345 1HB ASP 54 HB2 ASP 54 3.094 -7.753 13.046 346 2HB ASP 54 HB1 ASP 54 3.988 -6.779 11.887 347 H ALA 55 HN ALA 55 4.741 -7.963 9.320 348 HA ALA 55 HA ALA 55 2.758 -8.765 7.609 349 1HB ALA 55 HB1 ALA 55 4.419 -7.065 7.041 350 2HB ALA 55 HB2 ALA 55 4.311 -8.301 5.787 351 3HB ALA 55 HB3 ALA 55 5.661 -8.313 6.921 352 H GLU 56 HN GLU 56 5.833 -10.432 8.298 353 HA GLU 56 HA GLU 56 5.499 -12.487 6.424 354 1HB GLU 56 HB2 GLU 56 7.640 -11.996 7.514 355 2HB GLU 56 HB1 GLU 56 6.992 -12.562 9.049 356 1HG GLU 56 HG2 GLU 56 6.675 -14.793 8.054 357 2HG GLU 56 HG1 GLU 56 7.415 -14.206 6.566 358 H ILE 57 HN ILE 57 4.399 -12.207 9.769 359 HA ILE 57 HA ILE 57 3.687 -14.889 10.180 360 HB ILE 57 HB ILE 57 2.241 -12.511 11.352 361 1HG1 ILE 57 HG12 ILE 57 4.619 -12.162 11.677 362 2HG1 ILE 57 HG11 ILE 57 3.887 -12.636 13.206 363 1HG2 ILE 57 HG21 ILE 57 1.164 -14.641 11.771 364 2HG2 ILE 57 HG22 ILE 57 1.868 -14.008 13.259 365 3HG2 ILE 57 HG23 ILE 57 2.678 -15.308 12.385 366 1HD1 ILE 57 HD11 ILE 57 6.064 -13.693 12.783 367 2HD1 ILE 57 HD12 ILE 57 5.376 -14.499 11.374 368 3HD1 ILE 57 HD13 ILE 57 4.761 -14.861 12.988 369 H VAL 58 HN VAL 58 1.668 -12.156 9.120 370 HA VAL 58 HA VAL 58 -0.608 -13.779 8.554 371 HB VAL 58 HB VAL 58 0.031 -10.996 7.571 372 1HG1 VAL 58 HG11 VAL 58 -1.683 -12.044 6.214 373 2HG1 VAL 58 HG12 VAL 58 -2.400 -10.800 7.239 374 3HG1 VAL 58 HG13 VAL 58 -2.582 -12.503 7.662 375 1HG2 VAL 58 HG21 VAL 58 -1.384 -10.233 9.415 376 2HG2 VAL 58 HG22 VAL 58 0.013 -11.132 10.006 377 3HG2 VAL 58 HG23 VAL 58 -1.574 -11.899 9.959 378 H CYS 59 HN CYS 59 2.097 -12.577 6.681 379 HA CYS 59 HA CYS 59 1.186 -12.906 4.083 380 1HB CYS 59 HB2 CYS 59 3.189 -11.740 4.364 381 2HB CYS 59 HB1 CYS 59 3.912 -13.015 5.341 382 HG CYS 59 HG CYS 59 4.140 -14.778 3.094 383 H ALA 60 HN ALA 60 2.117 -15.310 6.367 384 HA ALA 60 HA ALA 60 2.871 -17.462 4.843 385 1HB ALA 60 HB1 ALA 60 1.124 -17.436 7.294 386 2HB ALA 60 HB2 ALA 60 2.886 -17.516 7.247 387 3HB ALA 60 HB3 ALA 60 1.925 -18.863 6.637 388 H CYS 61 HN CYS 61 -0.311 -16.004 4.954 389 HA CYS 61 HA CYS 61 -1.284 -18.255 3.328 390 1HB CYS 61 HB2 CYS 61 -3.001 -16.374 4.951 391 2HB CYS 61 HB1 CYS 61 -3.538 -17.801 4.069 392 HG CYS 61 HG CYS 61 -1.415 -19.158 5.881 393 HA PRO 62 HA PRO 62 -2.957 -14.614 0.791 394 1HB PRO 62 HB2 PRO 62 -2.824 -12.109 2.226 395 2HB PRO 62 HB1 PRO 62 -4.251 -12.984 1.675 396 1HG PRO 62 HG2 PRO 62 -3.618 -12.667 4.300 397 2HG PRO 62 HG1 PRO 62 -4.508 -14.072 3.682 398 1HD PRO 62 HD2 PRO 62 -1.583 -13.817 4.316 399 2HD PRO 62 HD1 PRO 62 -2.712 -15.125 4.737 400 H THR 63 HN THR 63 -0.059 -14.932 1.793 401 HA THR 63 HA THR 63 2.022 -14.254 1.323 402 HB THR 63 HB THR 63 2.444 -13.282 -0.934 403 HG1 THR 63 HG1 THR 63 -0.240 -12.795 -0.787 404 1HG2 THR 63 HG21 THR 63 1.687 -15.265 -2.164 405 2HG2 THR 63 HG22 THR 63 0.607 -15.674 -0.832 406 3HG2 THR 63 HG23 THR 63 2.354 -15.693 -0.589 407 H GLN 64 HN GLN 64 3.294 -12.158 0.300 408 HA GLN 64 HA GLN 64 3.054 -10.262 2.381 409 1HB GLN 64 HB2 GLN 64 5.207 -10.857 1.417 410 2HB GLN 64 HB1 GLN 64 4.715 -10.200 -0.136 411 1HG GLN 64 HG2 GLN 64 4.704 -7.977 0.736 412 2HG GLN 64 HG1 GLN 64 4.971 -8.569 2.376 413 1HE2 GLN 64 HE21 GLN 64 6.414 -8.083 -0.768 414 2HE2 GLN 64 HE22 GLN 64 8.056 -8.232 -0.258 415 HA PRO 65 HA PRO 65 1.588 -7.257 -1.156 416 1HB PRO 65 HB2 PRO 65 -0.130 -8.538 -2.886 417 2HB PRO 65 HB1 PRO 65 1.535 -8.071 -3.247 418 1HG PRO 65 HG2 PRO 65 0.422 -10.719 -2.426 419 2HG PRO 65 HG1 PRO 65 1.712 -10.350 -3.586 420 1HD PRO 65 HD2 PRO 65 2.252 -11.254 -1.124 421 2HD PRO 65 HD1 PRO 65 3.292 -10.056 -1.924 422 H ASP 66 HN ASP 66 -0.670 -9.989 -0.277 423 HA ASP 66 HA ASP 66 -2.806 -8.118 0.143 424 1HB ASP 66 HB2 ASP 66 -2.458 -11.015 0.764 425 2HB ASP 66 HB1 ASP 66 -3.752 -10.116 1.552 426 H LYS 67 HN LYS 67 -0.252 -9.450 2.064 427 HA LYS 67 HA LYS 67 -1.136 -8.762 4.605 428 1HB LYS 67 HB2 LYS 67 0.785 -10.179 4.297 429 2HB LYS 67 HB1 LYS 67 1.675 -8.860 3.515 430 1HG LYS 67 HG2 LYS 67 2.332 -9.265 5.866 431 2HG LYS 67 HG1 LYS 67 1.755 -7.626 5.558 432 1HD LYS 67 HD2 LYS 67 -0.486 -8.344 6.398 433 2HD LYS 67 HD1 LYS 67 0.242 -9.881 6.864 434 1HE LYS 67 HE2 LYS 67 0.039 -8.148 8.690 435 2HE LYS 67 HE1 LYS 67 1.645 -8.834 8.473 436 1HZ LYS 67 HZ1 LYS 67 0.733 -6.224 7.408 437 2HZ LYS 67 HZ2 LYS 67 2.276 -6.885 7.217 438 3HZ LYS 67 HZ3 LYS 67 1.729 -6.454 8.764 439 H VAL 68 HN VAL 68 0.564 -6.764 2.187 440 HA VAL 68 HA VAL 68 0.803 -4.525 3.930 441 HB VAL 68 HB VAL 68 1.335 -3.154 2.002 442 1HG1 VAL 68 HG11 VAL 68 2.632 -5.872 1.885 443 2HG1 VAL 68 HG12 VAL 68 3.101 -4.526 2.922 444 3HG1 VAL 68 HG13 VAL 68 3.290 -4.398 1.174 445 1HG2 VAL 68 HG21 VAL 68 1.368 -4.055 -0.272 446 2HG2 VAL 68 HG22 VAL 68 -0.269 -4.009 0.389 447 3HG2 VAL 68 HG23 VAL 68 0.608 -5.538 0.308 448 H ARG 69 HN ARG 69 -1.652 -5.501 1.559 449 HA ARG 69 HA ARG 69 -3.393 -3.384 1.736 450 1HB ARG 69 HB2 ARG 69 -4.361 -4.904 0.382 451 2HB ARG 69 HB1 ARG 69 -3.573 -6.249 1.186 452 1HG ARG 69 HG2 ARG 69 -5.872 -6.620 1.415 453 2HG ARG 69 HG1 ARG 69 -5.330 -6.039 2.987 454 1HD ARG 69 HD2 ARG 69 -6.152 -3.794 2.417 455 2HD ARG 69 HD1 ARG 69 -6.728 -4.404 0.869 456 HE ARG 69 HE ARG 69 -8.159 -4.459 3.247 457 1HH1 ARG 69 HH11 ARG 69 -7.206 -6.848 0.857 458 2HH1 ARG 69 HH12 ARG 69 -8.639 -7.802 1.045 459 1HH2 ARG 69 HH21 ARG 69 -10.039 -5.738 3.508 460 2HH2 ARG 69 HH22 ARG 69 -10.237 -7.184 2.559 461 H LYS 70 HN LYS 70 -3.045 -6.089 4.027 462 HA LYS 70 HA LYS 70 -5.159 -5.356 5.706 463 1HB LYS 70 HB2 LYS 70 -4.521 -7.494 6.132 464 2HB LYS 70 HB1 LYS 70 -2.816 -7.149 5.905 465 1HG LYS 70 HG2 LYS 70 -3.918 -5.878 8.284 466 2HG LYS 70 HG1 LYS 70 -4.050 -7.642 8.301 467 1HD LYS 70 HD2 LYS 70 -1.657 -7.756 7.662 468 2HD LYS 70 HD1 LYS 70 -1.563 -6.010 7.840 469 1HE LYS 70 HE2 LYS 70 -0.704 -7.348 9.793 470 2HE LYS 70 HE1 LYS 70 -1.933 -6.135 10.179 471 1HZ LYS 70 HZ1 LYS 70 -2.043 -8.635 11.055 472 2HZ LYS 70 HZ2 LYS 70 -2.927 -8.825 9.613 473 3HZ LYS 70 HZ3 LYS 70 -3.428 -7.700 10.781 474 H ILE 71 HN ILE 71 -1.713 -4.478 5.876 475 HA ILE 71 HA ILE 71 -2.070 -3.076 8.323 476 HB ILE 71 HB ILE 71 0.204 -2.111 7.894 477 1HG1 ILE 71 HG12 ILE 71 0.000 -3.858 5.438 478 2HG1 ILE 71 HG11 ILE 71 0.517 -2.172 5.546 479 1HG2 ILE 71 HG21 ILE 71 1.290 -4.274 8.331 480 2HG2 ILE 71 HG22 ILE 71 -0.208 -5.085 7.874 481 3HG2 ILE 71 HG23 ILE 71 -0.176 -4.019 9.279 482 1HD1 ILE 71 HD11 ILE 71 2.395 -3.775 5.153 483 2HD1 ILE 71 HD12 ILE 71 2.042 -4.492 6.724 484 3HD1 ILE 71 HD13 ILE 71 2.567 -2.815 6.622 485 H LEU 72 HN LEU 72 -1.918 -1.997 4.947 486 HA LEU 72 HA LEU 72 -2.154 0.751 5.554 487 1HB LEU 72 HB2 LEU 72 -2.862 -0.786 3.086 488 2HB LEU 72 HB1 LEU 72 -3.106 0.943 3.250 489 HG LEU 72 HG LEU 72 -0.866 1.434 3.116 490 1HD1 LEU 72 HD11 LEU 72 -0.208 -1.404 3.890 491 2HD1 LEU 72 HD12 LEU 72 -0.049 0.020 4.919 492 3HD1 LEU 72 HD13 LEU 72 0.964 -0.149 3.485 493 1HD2 LEU 72 HD21 LEU 72 -1.359 -1.062 1.569 494 2HD2 LEU 72 HD22 LEU 72 0.059 -0.046 1.320 495 3HD2 LEU 72 HD23 LEU 72 -1.557 0.598 1.019 496 H ASP 73 HN ASP 73 -4.451 -1.840 5.224 497 HA ASP 73 HA ASP 73 -6.816 -0.310 4.993 498 1HB ASP 73 HB2 ASP 73 -6.130 -3.058 5.160 499 2HB ASP 73 HB1 ASP 73 -7.298 -2.736 6.430 500 H LEU 74 HN LEU 74 -5.139 -1.714 7.753 501 HA LEU 74 HA LEU 74 -7.106 -0.924 9.658 502 1HB LEU 74 HB2 LEU 74 -4.257 -1.874 9.938 503 2HB LEU 74 HB1 LEU 74 -5.328 -1.580 11.305 504 HG LEU 74 HG LEU 74 -6.239 -3.436 9.150 505 1HD1 LEU 74 HD11 LEU 74 -4.074 -4.300 9.495 506 2HD1 LEU 74 HD12 LEU 74 -5.166 -5.299 10.460 507 3HD1 LEU 74 HD13 LEU 74 -4.176 -4.065 11.243 508 1HD2 LEU 74 HD21 LEU 74 -7.757 -2.808 10.952 509 2HD2 LEU 74 HD22 LEU 74 -6.590 -3.381 12.144 510 3HD2 LEU 74 HD23 LEU 74 -7.348 -4.522 11.033 511 H VAL 75 HN VAL 75 -4.170 0.505 8.401 512 HA VAL 75 HA VAL 75 -3.990 2.566 10.353 513 HB VAL 75 HB VAL 75 -2.181 1.780 8.640 514 1HG1 VAL 75 HG11 VAL 75 -3.464 2.183 6.634 515 2HG1 VAL 75 HG12 VAL 75 -1.992 3.154 6.658 516 3HG1 VAL 75 HG13 VAL 75 -3.549 3.901 7.021 517 1HG2 VAL 75 HG21 VAL 75 -1.137 4.069 8.712 518 2HG2 VAL 75 HG22 VAL 75 -1.672 3.426 10.266 519 3HG2 VAL 75 HG23 VAL 75 -2.642 4.642 9.436 520 H GLN 76 HN GLN 76 -5.573 2.244 7.236 521 HA GLN 76 HA GLN 76 -7.130 3.400 6.125 522 1HB GLN 76 HB2 GLN 76 -7.764 4.090 8.944 523 2HB GLN 76 HB1 GLN 76 -8.589 4.974 7.663 524 1HG GLN 76 HG2 GLN 76 -9.408 2.912 6.714 525 2HG GLN 76 HG1 GLN 76 -8.512 1.975 7.905 526 1HE2 GLN 76 HE21 GLN 76 -9.131 3.754 10.110 527 2HE2 GLN 76 HE22 GLN 76 -10.798 3.486 10.491 528 H SER 77 HN SER 77 -4.467 4.899 7.198 529 HA SER 77 HA SER 77 -4.883 7.053 5.334 530 1HB SER 77 HB2 SER 77 -4.234 7.717 8.217 531 2HB SER 77 HB1 SER 77 -4.257 8.863 6.879 532 HG SER 77 HG SER 77 -6.568 7.471 6.981 533 H LYS 78 HN LYS 78 -2.587 6.480 8.033 534 HA LYS 78 HA LYS 78 -0.439 7.556 6.607 535 1HB LYS 78 HB2 LYS 78 -0.467 5.762 9.026 536 2HB LYS 78 HB1 LYS 78 1.016 6.485 8.388 537 1HG LYS 78 HG2 LYS 78 -1.378 7.858 9.594 538 2HG LYS 78 HG1 LYS 78 0.305 7.902 10.123 539 1HD LYS 78 HD2 LYS 78 -0.828 9.136 7.607 540 2HD LYS 78 HD1 LYS 78 -0.274 9.996 9.044 541 1HE LYS 78 HE2 LYS 78 1.993 9.216 8.667 542 2HE LYS 78 HE1 LYS 78 1.454 8.268 7.281 543 1HZ LYS 78 HZ1 LYS 78 0.932 10.259 6.088 544 2HZ LYS 78 HZ2 LYS 78 2.506 10.432 6.703 545 3HZ LYS 78 HZ3 LYS 78 1.210 11.227 7.454 546 H GLY 79 HN GLY 79 -1.078 4.084 7.219 547 1HA GLY 79 HA2 GLY 79 1.193 3.071 5.953 548 2HA GLY 79 HA1 GLY 79 -0.332 2.217 6.137 549 H GLU 80 HN GLU 80 -2.055 3.623 4.667 550 HA GLU 80 HA GLU 80 -1.711 2.813 2.046 551 1HB GLU 80 HB2 GLU 80 -3.861 3.500 2.939 552 2HB GLU 80 HB1 GLU 80 -3.292 5.151 3.138 553 1HG GLU 80 HG2 GLU 80 -2.882 4.958 0.548 554 2HG GLU 80 HG1 GLU 80 -4.116 3.706 0.684 555 H GLU 81 HN GLU 81 -1.098 6.024 3.422 556 HA GLU 81 HA GLU 81 -0.298 7.199 0.954 557 1HB GLU 81 HB2 GLU 81 -1.339 8.557 2.624 558 2HB GLU 81 HB1 GLU 81 -0.153 8.090 3.831 559 1HG GLU 81 HG2 GLU 81 1.576 9.276 2.526 560 2HG GLU 81 HG1 GLU 81 0.317 9.822 1.418 561 H VAL 82 HN VAL 82 1.455 6.034 3.807 562 HA VAL 82 HA VAL 82 3.971 6.987 2.874 563 HB VAL 82 HB VAL 82 4.975 5.812 4.721 564 1HG1 VAL 82 HG11 VAL 82 3.698 6.826 6.561 565 2HG1 VAL 82 HG12 VAL 82 2.352 7.097 5.454 566 3HG1 VAL 82 HG13 VAL 82 3.889 7.919 5.190 567 1HG2 VAL 82 HG21 VAL 82 3.663 4.402 6.229 568 2HG2 VAL 82 HG22 VAL 82 3.739 3.717 4.605 569 3HG2 VAL 82 HG23 VAL 82 2.275 4.537 5.149 570 H SER 83 HN SER 83 2.271 3.923 2.594 571 HA SER 83 HA SER 83 4.471 2.350 1.810 572 1HB SER 83 HB2 SER 83 2.725 0.841 0.818 573 2HB SER 83 HB1 SER 83 2.379 1.309 2.481 574 HG SER 83 HG SER 83 0.798 2.643 1.788 575 H GLU 84 HN GLU 84 2.043 4.148 -0.153 576 HA GLU 84 HA GLU 84 3.287 3.508 -2.618 577 1HB GLU 84 HB2 GLU 84 2.032 5.479 -3.538 578 2HB GLU 84 HB1 GLU 84 1.029 4.310 -2.685 579 1HG GLU 84 HG2 GLU 84 0.589 5.726 -0.948 580 2HG GLU 84 HG1 GLU 84 2.088 6.626 -1.158 581 H PHE 85 HN PHE 85 3.572 6.344 -0.494 582 HA PHE 85 HA PHE 85 5.153 7.878 -2.193 583 1HB PHE 85 HB2 PHE 85 4.038 8.732 -0.157 584 2HB PHE 85 HB1 PHE 85 5.189 7.847 0.837 585 HD1 PHE 85 HD1 PHE 85 7.167 8.852 1.499 586 HD2 PHE 85 HD2 PHE 85 4.997 10.480 -1.779 587 HE1 PHE 85 HE1 PHE 85 8.696 10.779 1.452 588 HE2 PHE 85 HE2 PHE 85 6.524 12.410 -1.837 589 HZ PHE 85 HZ PHE 85 8.378 12.561 -0.220 590 H PHE 86 HN PHE 86 6.153 5.549 0.314 591 HA PHE 86 HA PHE 86 8.909 6.224 0.072 592 1HB PHE 86 HB2 PHE 86 7.471 5.147 2.029 593 2HB PHE 86 HB1 PHE 86 8.053 3.649 1.294 594 HD1 PHE 86 HD1 PHE 86 10.200 2.872 1.734 595 HD2 PHE 86 HD2 PHE 86 9.173 6.877 2.727 596 HE1 PHE 86 HE1 PHE 86 12.321 3.119 2.935 597 HE2 PHE 86 HE2 PHE 86 11.298 7.128 3.936 598 HZ PHE 86 HZ PHE 86 12.879 5.244 4.044 599 H LEU 87 HN LEU 87 6.994 3.398 -0.979 600 HA LEU 87 HA LEU 87 9.244 2.024 -2.047 601 1HB LEU 87 HB2 LEU 87 7.823 0.336 -2.511 602 2HB LEU 87 HB1 LEU 87 6.749 1.226 -1.454 603 HG LEU 87 HG LEU 87 6.027 2.331 -3.790 604 1HD1 LEU 87 HD11 LEU 87 7.612 1.057 -5.123 605 2HD1 LEU 87 HD12 LEU 87 5.955 0.610 -5.531 606 3HD1 LEU 87 HD13 LEU 87 6.931 -0.453 -4.517 607 1HD2 LEU 87 HD21 LEU 87 4.164 0.782 -3.833 608 2HD2 LEU 87 HD22 LEU 87 4.561 1.209 -2.168 609 3HD2 LEU 87 HD23 LEU 87 5.056 -0.354 -2.821 610 H TYR 88 HN TYR 88 6.904 4.257 -3.318 611 HA TYR 88 HA TYR 88 7.814 4.119 -6.009 612 1HB TYR 88 HB2 TYR 88 6.043 6.103 -4.586 613 2HB TYR 88 HB1 TYR 88 6.446 6.214 -6.300 614 HD1 TYR 88 HD1 TYR 88 6.504 3.167 -6.758 615 HD2 TYR 88 HD2 TYR 88 3.663 5.745 -4.910 616 HE1 TYR 88 HE1 TYR 88 4.710 1.587 -7.327 617 HE2 TYR 88 HE2 TYR 88 1.863 4.165 -5.470 618 HH TYR 88 HH TYR 88 1.361 2.389 -6.921 619 H LEU 89 HN LEU 89 8.799 6.021 -3.210 620 HA LEU 89 HA LEU 89 10.369 7.958 -4.410 621 1HB LEU 89 HB2 LEU 89 11.123 6.180 -2.077 622 2HB LEU 89 HB1 LEU 89 12.016 7.609 -2.550 623 HG LEU 89 HG LEU 89 9.161 7.596 -1.566 624 1HD1 LEU 89 HD11 LEU 89 11.721 8.387 -0.181 625 2HD1 LEU 89 HD12 LEU 89 10.736 6.971 0.183 626 3HD1 LEU 89 HD13 LEU 89 10.094 8.589 0.466 627 1HD2 LEU 89 HD21 LEU 89 9.605 9.455 -3.069 628 2HD2 LEU 89 HD22 LEU 89 11.070 9.858 -2.175 629 3HD2 LEU 89 HD23 LEU 89 9.493 10.034 -1.407 630 H LEU 90 HN LEU 90 11.147 4.569 -3.772 631 HA LEU 90 HA LEU 90 13.534 4.536 -5.307 632 1HB LEU 90 HB2 LEU 90 11.689 2.383 -4.327 633 2HB LEU 90 HB1 LEU 90 13.039 2.005 -5.376 634 HG LEU 90 HG LEU 90 13.738 1.582 -3.145 635 1HD1 LEU 90 HD11 LEU 90 15.608 3.136 -2.874 636 2HD1 LEU 90 HD12 LEU 90 14.867 4.222 -4.048 637 3HD1 LEU 90 HD13 LEU 90 15.414 2.622 -4.549 638 1HD2 LEU 90 HD21 LEU 90 13.699 3.318 -1.390 639 2HD2 LEU 90 HD22 LEU 90 12.086 2.838 -1.919 640 3HD2 LEU 90 HD23 LEU 90 12.781 4.359 -2.478 641 H GLN 91 HN GLN 91 10.151 3.797 -6.166 642 HA GLN 91 HA GLN 91 10.939 2.610 -8.654 643 1HB GLN 91 HB2 GLN 91 8.849 2.200 -7.058 644 2HB GLN 91 HB1 GLN 91 8.104 3.308 -8.199 645 1HG GLN 91 HG2 GLN 91 9.620 1.254 -9.547 646 2HG GLN 91 HG1 GLN 91 8.397 0.574 -8.479 647 1HE2 GLN 91 HE21 GLN 91 6.611 2.869 -8.807 648 2HE2 GLN 91 HE22 GLN 91 5.912 2.703 -10.385 649 H GLN 92 HN GLN 92 9.131 5.571 -7.859 650 HA GLN 92 HA GLN 92 9.985 7.336 -9.688 651 1HB GLN 92 HB2 GLN 92 8.123 7.178 -11.512 652 2HB GLN 92 HB1 GLN 92 9.567 6.173 -11.668 653 1HG GLN 92 HG2 GLN 92 7.991 4.429 -10.398 654 2HG GLN 92 HG1 GLN 92 6.753 5.417 -11.154 655 1HE2 GLN 92 HE21 GLN 92 6.106 3.813 -12.581 656 2HE2 GLN 92 HE22 GLN 92 7.089 3.300 -13.907 657 H LEU 93 HN LEU 93 9.317 8.884 -8.335 658 HA LEU 93 HA LEU 93 6.832 8.911 -6.982 659 1HB LEU 93 HB2 LEU 93 8.814 11.107 -7.561 660 2HB LEU 93 HB1 LEU 93 7.356 11.373 -6.628 661 HG LEU 93 HG LEU 93 9.049 11.107 -5.044 662 1HD1 LEU 93 HD11 LEU 93 8.511 8.999 -3.910 663 2HD1 LEU 93 HD12 LEU 93 7.691 8.441 -5.368 664 3HD1 LEU 93 HD13 LEU 93 7.074 9.841 -4.492 665 1HD2 LEU 93 HD21 LEU 93 9.986 8.660 -6.533 666 2HD2 LEU 93 HD22 LEU 93 10.692 9.320 -5.056 667 3HD2 LEU 93 HD23 LEU 93 10.765 10.241 -6.560 668 H ALA 94 HN ALA 94 8.018 10.751 -9.761 669 HA ALA 94 HA ALA 94 5.715 12.270 -10.207 670 1HB ALA 94 HB1 ALA 94 7.823 11.351 -12.160 671 2HB ALA 94 HB2 ALA 94 7.852 12.832 -11.202 672 3HB ALA 94 HB3 ALA 94 6.641 12.626 -12.469 673 H ASP 95 HN ASP 95 6.598 9.042 -11.258 674 HA ASP 95 HA ASP 95 4.440 8.869 -13.126 675 1HB ASP 95 HB2 ASP 95 6.493 7.654 -13.558 676 2HB ASP 95 HB1 ASP 95 6.267 6.727 -12.076 677 H ALA 96 HN ALA 96 5.146 7.438 -9.981 678 HA ALA 96 HA ALA 96 2.760 5.823 -10.063 679 1HB ALA 96 HB1 ALA 96 4.808 6.087 -7.908 680 2HB ALA 96 HB2 ALA 96 4.893 4.975 -9.274 681 3HB ALA 96 HB3 ALA 96 3.602 4.814 -8.083 682 H TYR 97 HN TYR 97 3.700 8.763 -8.341 683 HA TYR 97 HA TYR 97 1.946 8.452 -6.156 684 1HB TYR 97 HB2 TYR 97 3.939 10.051 -6.459 685 2HB TYR 97 HB1 TYR 97 2.790 11.130 -7.245 686 HD1 TYR 97 HD1 TYR 97 3.354 9.249 -4.079 687 HD2 TYR 97 HD2 TYR 97 1.550 12.625 -5.942 688 HE1 TYR 97 HE1 TYR 97 2.739 10.137 -1.868 689 HE2 TYR 97 HE2 TYR 97 0.925 13.514 -3.739 690 HH TYR 97 HH TYR 97 2.159 12.208 -0.807 691 H VAL 98 HN VAL 98 1.403 9.555 -9.369 692 HA VAL 98 HA VAL 98 -1.089 10.846 -9.090 693 HB VAL 98 HB VAL 98 0.464 10.878 -11.107 694 1HG1 VAL 98 HG11 VAL 98 0.714 8.485 -11.405 695 2HG1 VAL 98 HG12 VAL 98 0.034 9.226 -12.853 696 3HG1 VAL 98 HG13 VAL 98 -1.008 8.329 -11.746 697 1HG2 VAL 98 HG21 VAL 98 -2.490 10.456 -11.542 698 2HG2 VAL 98 HG22 VAL 98 -1.385 11.221 -12.685 699 3HG2 VAL 98 HG23 VAL 98 -1.696 11.974 -11.121 700 H ASP 99 HN ASP 99 -0.523 7.799 -8.154 701 HA ASP 99 HA ASP 99 -1.571 6.013 -9.936 702 1HB ASP 99 HB2 ASP 99 -1.411 4.396 -8.234 703 2HB ASP 99 HB1 ASP 99 -0.211 5.611 -7.807 704 H LEU 100 HN LEU 100 -3.447 7.781 -7.493 705 HA LEU 100 HA LEU 100 -5.597 5.992 -7.418 706 1HB LEU 100 HB2 LEU 100 -6.800 7.573 -6.229 707 2HB LEU 100 HB1 LEU 100 -5.138 7.973 -5.862 708 HG LEU 100 HG LEU 100 -6.868 9.434 -7.862 709 1HD1 LEU 100 HD11 LEU 100 -6.010 10.196 -5.077 710 2HD1 LEU 100 HD12 LEU 100 -7.643 9.764 -5.583 711 3HD1 LEU 100 HD13 LEU 100 -6.884 11.230 -6.205 712 1HD2 LEU 100 HD21 LEU 100 -4.471 9.476 -8.387 713 2HD2 LEU 100 HD22 LEU 100 -4.142 10.119 -6.774 714 3HD2 LEU 100 HD23 LEU 100 -5.086 11.067 -7.926 715 H ARG 101 HN ARG 101 -4.812 8.497 -9.750 716 HA ARG 101 HA ARG 101 -7.462 8.638 -10.804 717 1HB ARG 101 HB2 ARG 101 -4.809 9.603 -11.851 718 2HB ARG 101 HB1 ARG 101 -6.313 9.831 -12.729 719 1HG ARG 101 HG2 ARG 101 -6.010 10.786 -9.909 720 2HG ARG 101 HG1 ARG 101 -5.434 11.744 -11.273 721 1HD ARG 101 HD2 ARG 101 -7.611 12.520 -10.797 722 2HD ARG 101 HD1 ARG 101 -7.743 11.537 -12.252 723 HE ARG 101 HE ARG 101 -8.528 10.603 -9.557 724 1HH1 ARG 101 HH11 ARG 101 -8.957 10.676 -13.031 725 2HH1 ARG 101 HH12 ARG 101 -10.451 9.784 -12.997 726 1HH2 ARG 101 HH21 ARG 101 -10.491 9.416 -9.506 727 2HH2 ARG 101 HH22 ARG 101 -11.321 9.063 -10.994 728 HA PRO 102 HA PRO 102 -5.965 5.866 -14.370 729 1HB PRO 102 HB2 PRO 102 -3.537 4.683 -14.288 730 2HB PRO 102 HB1 PRO 102 -3.800 6.286 -14.984 731 1HG PRO 102 HG2 PRO 102 -2.719 5.539 -12.299 732 2HG PRO 102 HG1 PRO 102 -2.180 6.810 -13.412 733 1HD PRO 102 HD2 PRO 102 -3.756 7.281 -11.234 734 2HD PRO 102 HD1 PRO 102 -3.779 8.285 -12.697 735 H TRP 103 HN TRP 103 -4.466 4.742 -11.316 736 HA TRP 103 HA TRP 103 -4.996 2.026 -12.047 737 1HB TRP 103 HB2 TRP 103 -3.545 3.313 -9.794 738 2HB TRP 103 HB1 TRP 103 -4.051 1.631 -9.635 739 HD1 TRP 103 HD1 TRP 103 -3.483 0.497 -12.467 740 HE1 TRP 103 HE1 TRP 103 -1.080 0.286 -13.376 741 HE3 TRP 103 HE3 TRP 103 -1.169 3.932 -9.471 742 HZ2 TRP 103 HZ2 TRP 103 1.457 1.418 -12.875 743 HZ3 TRP 103 HZ3 TRP 103 1.244 4.302 -9.744 744 HH2 TRP 103 HH2 TRP 103 2.539 3.074 -11.409 745 H LEU 104 HN LEU 104 -6.407 4.237 -9.605 746 HA LEU 104 HA LEU 104 -7.933 2.253 -8.306 747 1HB LEU 104 HB2 LEU 104 -7.606 4.478 -7.375 748 2HB LEU 104 HB1 LEU 104 -8.513 5.197 -8.685 749 HG LEU 104 HG LEU 104 -9.655 5.039 -6.428 750 1HD1 LEU 104 HD11 LEU 104 -10.898 5.509 -8.463 751 2HD1 LEU 104 HD12 LEU 104 -11.835 4.494 -7.367 752 3HD1 LEU 104 HD13 LEU 104 -11.056 3.780 -8.778 753 1HD2 LEU 104 HD21 LEU 104 -10.719 2.919 -5.861 754 2HD2 LEU 104 HD22 LEU 104 -8.960 2.795 -5.826 755 3HD2 LEU 104 HD23 LEU 104 -9.864 2.133 -7.188 756 H LEU 105 HN LEU 105 -8.467 4.035 -11.261 757 HA LEU 105 HA LEU 105 -11.193 3.286 -11.595 758 1HB LEU 105 HB2 LEU 105 -10.162 5.250 -12.679 759 2HB LEU 105 HB1 LEU 105 -9.162 4.180 -13.641 760 HG LEU 105 HG LEU 105 -11.209 3.260 -14.692 761 1HD1 LEU 105 HD11 LEU 105 -12.596 5.449 -13.152 762 2HD1 LEU 105 HD12 LEU 105 -12.787 3.714 -12.899 763 3HD1 LEU 105 HD13 LEU 105 -13.326 4.451 -14.409 764 1HD2 LEU 105 HD21 LEU 105 -9.944 5.047 -15.763 765 2HD2 LEU 105 HD22 LEU 105 -10.896 6.252 -14.893 766 3HD2 LEU 105 HD23 LEU 105 -11.671 5.207 -16.085 767 H GLU 106 HN GLU 106 -8.113 1.889 -12.507 768 HA GLU 106 HA GLU 106 -9.130 0.096 -14.454 769 1HB GLU 106 HB2 GLU 106 -6.536 0.117 -12.913 770 2HB GLU 106 HB1 GLU 106 -6.901 -1.023 -14.208 771 1HG GLU 106 HG2 GLU 106 -7.265 0.917 -15.723 772 2HG GLU 106 HG1 GLU 106 -6.701 1.970 -14.424 773 H ILE 107 HN ILE 107 -8.278 -0.332 -11.028 774 HA ILE 107 HA ILE 107 -9.196 -3.102 -11.268 775 HB ILE 107 HB ILE 107 -8.154 -3.337 -8.944 776 1HG1 ILE 107 HG12 ILE 107 -6.230 -1.731 -8.583 777 2HG1 ILE 107 HG11 ILE 107 -6.972 -0.680 -9.775 778 1HG2 ILE 107 HG21 ILE 107 -5.916 -3.649 -9.912 779 2HG2 ILE 107 HG22 ILE 107 -6.437 -2.773 -11.351 780 3HG2 ILE 107 HG23 ILE 107 -7.195 -4.309 -10.932 781 1HD1 ILE 107 HD11 ILE 107 -8.956 -0.498 -8.374 782 2HD1 ILE 107 HD12 ILE 107 -7.497 0.049 -7.546 783 3HD1 ILE 107 HD13 ILE 107 -8.186 -1.530 -7.170 784 H GLY 108 HN GLY 108 -10.350 -0.141 -10.183 785 1HA GLY 108 HA2 GLY 108 -12.178 0.463 -8.923 786 2HA GLY 108 HA1 GLY 108 -12.710 -1.210 -9.048 787 H PHE 109 HN PHE 109 -12.880 -2.250 -7.179 788 HA PHE 109 HA PHE 109 -10.689 -2.514 -5.459 789 1HB PHE 109 HB2 PHE 109 -11.546 -1.544 -3.383 790 2HB PHE 109 HB1 PHE 109 -11.309 -0.308 -4.606 791 HD1 PHE 109 HD1 PHE 109 -13.522 -1.666 -2.216 792 HD2 PHE 109 HD2 PHE 109 -13.425 0.419 -5.926 793 HE1 PHE 109 HE1 PHE 109 -15.813 -0.862 -1.821 794 HE2 PHE 109 HE2 PHE 109 -15.719 1.220 -5.538 795 HZ PHE 109 HZ PHE 109 -16.913 0.581 -3.481 796 H SER 110 HN SER 110 -10.819 -4.584 -5.094 797 HA SER 110 HA SER 110 -13.251 -5.726 -4.004 798 1HB SER 110 HB2 SER 110 -12.023 -6.777 -6.570 799 2HB SER 110 HB1 SER 110 -13.360 -7.516 -5.690 800 HG SER 110 HG SER 110 -13.915 -4.934 -6.129
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